USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 717 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 30 TYR OH : rot -73:sc= 1.67 USER MOD Set 1.2: A 32 SER OG : rot -96:sc= -0.108 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 55:sc= 0.942 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.438 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0818 USER MOD Single : A 26 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.00092) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.551! (180deg=-0.981!) USER MOD Single : A 28 LYS NZ :NH3+ -147:sc= -0.335 (180deg=-1.51!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -104:sc= -0.0783 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 43 TYR OH : rot 165:sc= -1.16! USER MOD Single : A 48 THR OG1 : rot 160:sc= 0.0373 USER MOD Single : A 54 SER OG : rot 180:sc= -0.636 USER MOD Single : A 55 SER OG : rot -124:sc= -0.0946 USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= -0.3 (180deg=-0.514) USER MOD Single : A 59 GLN : amide:sc=-0.00706 K(o=-0.0071,f=-1.6!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 63 SER OG : rot -61:sc= 0.944 USER MOD Single : A 70 ASN : amide:sc= -0.572 K(o=-0.57,f=-2.7) USER MOD Single : A 75 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.8!) USER MOD Single : A 77 ASN :FLIP amide:sc=-0.00568 F(o=-1.7!,f=-0.0057) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -120:sc= 0.255 USER MOD Single : A 83 SER OG : rot -110:sc= -0.0301 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -62:sc= 0.543 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -10.604 -2.364 -2.488 1.00 0.00 N ATOM 15 CA ASP A 2 -10.284 -3.796 -2.238 1.00 0.00 C ATOM 16 C ASP A 2 -8.773 -3.985 -2.112 1.00 0.00 C ATOM 17 O ASP A 2 -7.987 -3.267 -2.700 1.00 0.00 O ATOM 18 CB ASP A 2 -10.813 -4.646 -3.392 1.00 0.00 C ATOM 19 CG ASP A 2 -10.604 -6.128 -3.075 1.00 0.00 C ATOM 20 OD1 ASP A 2 -10.175 -6.424 -1.972 1.00 0.00 O ATOM 21 OD2 ASP A 2 -10.880 -6.942 -3.940 1.00 0.00 O ATOM 0 HA ASP A 2 -10.757 -4.108 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.872 -4.443 -3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.297 -4.385 -4.316 1.00 0.00 H new ATOM 26 N LEU A 3 -8.370 -4.947 -1.335 1.00 0.00 N ATOM 27 CA LEU A 3 -6.921 -5.206 -1.135 1.00 0.00 C ATOM 28 C LEU A 3 -6.299 -5.803 -2.397 1.00 0.00 C ATOM 29 O LEU A 3 -6.836 -6.712 -2.996 1.00 0.00 O ATOM 30 CB LEU A 3 -6.766 -6.181 0.034 1.00 0.00 C ATOM 31 CG LEU A 3 -5.266 -6.513 0.267 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.950 -6.490 1.767 1.00 0.00 C ATOM 33 CD2 LEU A 3 -4.942 -7.909 -0.289 1.00 0.00 C ATOM 0 H LEU A 3 -8.992 -5.573 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.408 -4.269 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.193 -5.746 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.320 -7.097 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.662 -5.765 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.897 -6.724 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.164 -5.500 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.564 -7.230 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.888 -8.132 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.556 -8.654 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.152 -7.932 -1.358 1.00 0.00 H new ATOM 45 N VAL A 4 -5.160 -5.292 -2.800 1.00 0.00 N ATOM 46 CA VAL A 4 -4.475 -5.814 -4.024 1.00 0.00 C ATOM 47 C VAL A 4 -2.978 -5.977 -3.753 1.00 0.00 C ATOM 48 O VAL A 4 -2.441 -5.440 -2.804 1.00 0.00 O ATOM 49 CB VAL A 4 -4.675 -4.836 -5.181 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.163 -4.758 -5.523 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.171 -3.449 -4.776 1.00 0.00 C ATOM 0 H VAL A 4 -4.672 -4.530 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.903 -6.782 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.116 -5.182 -6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.311 -4.061 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.522 -5.745 -5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.719 -4.412 -4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.315 -2.754 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.728 -3.099 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.111 -3.505 -4.529 1.00 0.00 H new ATOM 61 N LYS A 5 -2.309 -6.729 -4.580 1.00 0.00 N ATOM 62 CA LYS A 5 -0.850 -6.955 -4.388 1.00 0.00 C ATOM 63 C LYS A 5 -0.058 -5.744 -4.899 1.00 0.00 C ATOM 64 O LYS A 5 -0.514 -4.997 -5.739 1.00 0.00 O ATOM 65 CB LYS A 5 -0.438 -8.214 -5.173 1.00 0.00 C ATOM 66 CG LYS A 5 -0.581 -9.458 -4.292 1.00 0.00 C ATOM 67 CD LYS A 5 -2.049 -9.648 -3.925 1.00 0.00 C ATOM 68 CE LYS A 5 -2.208 -10.939 -3.124 1.00 0.00 C ATOM 69 NZ LYS A 5 -3.636 -11.112 -2.737 1.00 0.00 N ATOM 0 H LYS A 5 -2.714 -7.201 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.636 -7.090 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.060 -8.316 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.593 -8.118 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.209 -10.336 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.021 -9.350 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.402 -8.798 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.659 -9.689 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.875 -11.791 -3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.580 -10.906 -2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.744 -11.991 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.938 -10.305 -2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.224 -11.161 -3.593 1.00 0.00 H new ATOM 83 N ILE A 6 1.130 -5.560 -4.389 1.00 0.00 N ATOM 84 CA ILE A 6 1.975 -4.415 -4.829 1.00 0.00 C ATOM 85 C ILE A 6 2.320 -4.563 -6.317 1.00 0.00 C ATOM 86 O ILE A 6 2.280 -3.612 -7.070 1.00 0.00 O ATOM 87 CB ILE A 6 3.271 -4.406 -4.007 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.951 -4.057 -2.547 1.00 0.00 C ATOM 89 CG2 ILE A 6 4.242 -3.370 -4.584 1.00 0.00 C ATOM 90 CD1 ILE A 6 4.185 -4.308 -1.676 1.00 0.00 C ATOM 0 H ILE A 6 1.554 -6.159 -3.681 1.00 0.00 H new ATOM 0 HA ILE A 6 1.430 -3.483 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 6 3.732 -5.393 -4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.646 -3.013 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.115 -4.660 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.161 -3.367 -3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.473 -3.624 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.784 -2.382 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.956 -4.060 -0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.470 -5.358 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.009 -3.685 -2.024 1.00 0.00 H new ATOM 102 N ARG A 7 2.676 -5.744 -6.741 1.00 0.00 N ATOM 103 CA ARG A 7 3.042 -5.946 -8.173 1.00 0.00 C ATOM 104 C ARG A 7 1.787 -5.882 -9.044 1.00 0.00 C ATOM 105 O ARG A 7 1.863 -5.763 -10.250 1.00 0.00 O ATOM 106 CB ARG A 7 3.727 -7.307 -8.327 1.00 0.00 C ATOM 107 CG ARG A 7 2.724 -8.431 -8.050 1.00 0.00 C ATOM 108 CD ARG A 7 3.455 -9.775 -8.042 1.00 0.00 C ATOM 109 NE ARG A 7 2.478 -10.872 -7.777 1.00 0.00 N ATOM 110 CZ ARG A 7 1.834 -11.441 -8.764 1.00 0.00 C ATOM 111 NH1 ARG A 7 2.028 -11.045 -9.992 1.00 0.00 N ATOM 112 NH2 ARG A 7 0.994 -12.409 -8.518 1.00 0.00 N ATOM 0 H ARG A 7 2.730 -6.579 -6.158 1.00 0.00 H new ATOM 0 HA ARG A 7 3.726 -5.160 -8.493 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.131 -7.408 -9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.568 -7.380 -7.638 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.232 -8.266 -7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.944 -8.433 -8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.950 -9.938 -9.000 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.232 -9.774 -7.278 1.00 0.00 H new ATOM 0 HE ARG A 7 2.311 -11.181 -6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.684 -10.289 -10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.524 -11.492 -10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.841 -12.720 -7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.490 -12.855 -9.285 1.00 0.00 H new ATOM 126 N ASP A 8 0.631 -5.962 -8.443 1.00 0.00 N ATOM 127 CA ASP A 8 -0.635 -5.907 -9.231 1.00 0.00 C ATOM 128 C ASP A 8 -1.134 -4.460 -9.288 1.00 0.00 C ATOM 129 O ASP A 8 -2.177 -4.176 -9.838 1.00 0.00 O ATOM 130 CB ASP A 8 -1.686 -6.790 -8.555 1.00 0.00 C ATOM 131 CG ASP A 8 -1.285 -8.261 -8.694 1.00 0.00 C ATOM 132 OD1 ASP A 8 -0.331 -8.531 -9.407 1.00 0.00 O ATOM 133 OD2 ASP A 8 -1.937 -9.093 -8.085 1.00 0.00 O ATOM 0 H ASP A 8 0.508 -6.064 -7.436 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.457 -6.266 -10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.776 -6.525 -7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.663 -6.624 -9.010 1.00 0.00 H new ATOM 138 N VAL A 9 -0.398 -3.544 -8.715 1.00 0.00 N ATOM 139 CA VAL A 9 -0.836 -2.118 -8.723 1.00 0.00 C ATOM 140 C VAL A 9 -0.841 -1.576 -10.154 1.00 0.00 C ATOM 141 O VAL A 9 0.107 -1.734 -10.895 1.00 0.00 O ATOM 142 CB VAL A 9 0.128 -1.290 -7.867 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.200 0.199 -8.007 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.017 -1.704 -6.402 1.00 0.00 C ATOM 0 H VAL A 9 0.488 -3.722 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.845 -2.051 -8.316 1.00 0.00 H new ATOM 0 HB VAL A 9 1.150 -1.466 -8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.489 0.782 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.101 0.497 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.222 0.379 -7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.667 -1.117 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.041 -1.527 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.220 -2.763 -6.298 1.00 0.00 H new ATOM 154 N SER A 10 -1.907 -0.925 -10.542 1.00 0.00 N ATOM 155 CA SER A 10 -1.977 -0.360 -11.918 1.00 0.00 C ATOM 156 C SER A 10 -3.032 0.752 -11.971 1.00 0.00 C ATOM 157 O SER A 10 -3.845 0.897 -11.080 1.00 0.00 O ATOM 158 CB SER A 10 -2.347 -1.463 -12.909 1.00 0.00 C ATOM 159 OG SER A 10 -3.510 -2.138 -12.449 1.00 0.00 O ATOM 0 H SER A 10 -2.731 -0.761 -9.964 1.00 0.00 H new ATOM 0 HA SER A 10 -1.004 0.054 -12.183 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.527 -1.036 -13.896 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.521 -2.167 -13.012 1.00 0.00 H new ATOM 0 HG SER A 10 -3.751 -2.845 -13.084 1.00 0.00 H new ATOM 165 N LEU A 11 -3.018 1.534 -13.016 1.00 0.00 N ATOM 166 CA LEU A 11 -4.006 2.643 -13.153 1.00 0.00 C ATOM 167 C LEU A 11 -5.412 2.065 -13.323 1.00 0.00 C ATOM 168 O LEU A 11 -6.401 2.738 -13.113 1.00 0.00 O ATOM 169 CB LEU A 11 -3.639 3.474 -14.384 1.00 0.00 C ATOM 170 CG LEU A 11 -2.309 4.206 -14.141 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.815 4.815 -15.458 1.00 0.00 C ATOM 172 CD2 LEU A 11 -2.488 5.319 -13.089 1.00 0.00 C ATOM 0 H LEU A 11 -2.357 1.451 -13.789 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.988 3.269 -12.261 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.555 2.828 -15.258 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.428 4.195 -14.596 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.576 3.491 -13.768 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.872 5.334 -15.288 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.665 4.023 -16.192 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.556 5.521 -15.833 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.536 5.826 -12.930 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.228 6.038 -13.442 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.827 4.881 -12.150 1.00 0.00 H new ATOM 184 N SER A 12 -5.511 0.824 -13.701 1.00 0.00 N ATOM 185 CA SER A 12 -6.852 0.207 -13.883 1.00 0.00 C ATOM 186 C SER A 12 -7.636 0.311 -12.575 1.00 0.00 C ATOM 187 O SER A 12 -8.850 0.313 -12.572 1.00 0.00 O ATOM 188 CB SER A 12 -6.679 -1.264 -14.257 1.00 0.00 C ATOM 189 OG SER A 12 -6.204 -1.355 -15.593 1.00 0.00 O ATOM 0 H SER A 12 -4.720 0.209 -13.892 1.00 0.00 H new ATOM 0 HA SER A 12 -7.394 0.725 -14.674 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.977 -1.744 -13.576 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.629 -1.790 -14.160 1.00 0.00 H new ATOM 0 HG SER A 12 -6.090 -2.297 -15.836 1.00 0.00 H new ATOM 195 N THR A 13 -6.946 0.401 -11.462 1.00 0.00 N ATOM 196 CA THR A 13 -7.632 0.511 -10.137 1.00 0.00 C ATOM 197 C THR A 13 -7.152 1.784 -9.429 1.00 0.00 C ATOM 198 O THR A 13 -6.266 1.742 -8.597 1.00 0.00 O ATOM 199 CB THR A 13 -7.277 -0.713 -9.289 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.893 -0.690 -8.970 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.604 -1.983 -10.077 1.00 0.00 C ATOM 0 H THR A 13 -5.927 0.403 -11.416 1.00 0.00 H new ATOM 0 HA THR A 13 -8.712 0.557 -10.277 1.00 0.00 H new ATOM 0 HB THR A 13 -7.855 -0.697 -8.365 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.670 0.164 -8.544 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.353 -2.858 -9.477 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.667 -2.000 -10.316 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.025 -1.998 -11.000 1.00 0.00 H new ATOM 209 N PRO A 14 -7.733 2.914 -9.761 1.00 0.00 N ATOM 210 CA PRO A 14 -7.357 4.222 -9.150 1.00 0.00 C ATOM 211 C PRO A 14 -7.385 4.172 -7.620 1.00 0.00 C ATOM 212 O PRO A 14 -6.532 4.732 -6.962 1.00 0.00 O ATOM 213 CB PRO A 14 -8.426 5.200 -9.673 1.00 0.00 C ATOM 214 CG PRO A 14 -8.939 4.582 -10.936 1.00 0.00 C ATOM 215 CD PRO A 14 -8.809 3.067 -10.757 1.00 0.00 C ATOM 0 HA PRO A 14 -6.340 4.512 -9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.227 5.333 -8.946 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.000 6.185 -9.862 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.977 4.865 -11.114 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.364 4.923 -11.797 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.742 2.625 -10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.556 2.575 -11.696 1.00 0.00 H new ATOM 223 N TYR A 15 -8.368 3.512 -7.056 1.00 0.00 N ATOM 224 CA TYR A 15 -8.474 3.425 -5.565 1.00 0.00 C ATOM 225 C TYR A 15 -8.315 1.973 -5.118 1.00 0.00 C ATOM 226 O TYR A 15 -8.981 1.083 -5.608 1.00 0.00 O ATOM 227 CB TYR A 15 -9.845 3.946 -5.131 1.00 0.00 C ATOM 228 CG TYR A 15 -9.943 5.415 -5.470 1.00 0.00 C ATOM 229 CD1 TYR A 15 -9.247 6.356 -4.703 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.726 5.836 -6.553 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.333 7.719 -5.017 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.812 7.197 -6.867 1.00 0.00 C ATOM 233 CZ TYR A 15 -10.116 8.139 -6.100 1.00 0.00 C ATOM 234 OH TYR A 15 -10.202 9.480 -6.409 1.00 0.00 O ATOM 0 H TYR A 15 -9.105 3.027 -7.567 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.688 4.026 -5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.636 3.390 -5.635 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.983 3.797 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.643 6.032 -3.868 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.263 5.110 -7.145 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.796 8.445 -4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.416 7.521 -7.702 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.784 9.599 -7.188 1.00 0.00 H new ATOM 244 N VAL A 16 -7.439 1.731 -4.179 1.00 0.00 N ATOM 245 CA VAL A 16 -7.237 0.334 -3.686 1.00 0.00 C ATOM 246 C VAL A 16 -6.735 0.359 -2.245 1.00 0.00 C ATOM 247 O VAL A 16 -6.609 1.402 -1.638 1.00 0.00 O ATOM 248 CB VAL A 16 -6.204 -0.384 -4.554 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.760 -0.577 -5.966 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.920 0.448 -4.619 1.00 0.00 C ATOM 0 H VAL A 16 -6.855 2.438 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.190 -0.193 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.983 -1.358 -4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.020 -1.089 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.670 -1.175 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.986 0.395 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.185 -0.066 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.140 1.424 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.520 0.579 -3.614 1.00 0.00 H new ATOM 260 N SER A 17 -6.442 -0.794 -1.698 1.00 0.00 N ATOM 261 CA SER A 17 -5.933 -0.865 -0.295 1.00 0.00 C ATOM 262 C SER A 17 -4.674 -1.730 -0.268 1.00 0.00 C ATOM 263 O SER A 17 -4.562 -2.700 -0.993 1.00 0.00 O ATOM 264 CB SER A 17 -7.003 -1.489 0.601 1.00 0.00 C ATOM 265 OG SER A 17 -8.139 -0.637 0.636 1.00 0.00 O ATOM 0 H SER A 17 -6.534 -1.695 -2.167 1.00 0.00 H new ATOM 0 HA SER A 17 -5.699 0.136 0.067 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.283 -2.472 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.612 -1.634 1.608 1.00 0.00 H new ATOM 0 HG SER A 17 -8.828 -1.034 1.208 1.00 0.00 H new ATOM 271 N VAL A 18 -3.721 -1.386 0.564 1.00 0.00 N ATOM 272 CA VAL A 18 -2.460 -2.187 0.643 1.00 0.00 C ATOM 273 C VAL A 18 -2.012 -2.324 2.094 1.00 0.00 C ATOM 274 O VAL A 18 -2.428 -1.583 2.960 1.00 0.00 O ATOM 275 CB VAL A 18 -1.357 -1.495 -0.160 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.708 -1.527 -1.648 1.00 0.00 C ATOM 277 CG2 VAL A 18 -1.222 -0.039 0.298 1.00 0.00 C ATOM 0 H VAL A 18 -3.762 -0.584 1.193 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.650 -3.178 0.230 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.414 -2.017 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.921 -1.033 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.801 -2.562 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.653 -1.009 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.436 0.451 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.166 0.482 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.968 -0.013 1.358 1.00 0.00 H new ATOM 287 N ILE A 19 -1.148 -3.266 2.359 1.00 0.00 N ATOM 288 CA ILE A 19 -0.644 -3.465 3.751 1.00 0.00 C ATOM 289 C ILE A 19 0.840 -3.817 3.692 1.00 0.00 C ATOM 290 O ILE A 19 1.243 -4.722 2.989 1.00 0.00 O ATOM 291 CB ILE A 19 -1.431 -4.600 4.422 1.00 0.00 C ATOM 292 CG1 ILE A 19 -0.791 -4.969 5.771 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.441 -5.840 3.520 1.00 0.00 C ATOM 294 CD1 ILE A 19 -0.608 -3.722 6.637 1.00 0.00 C ATOM 0 H ILE A 19 -0.766 -3.911 1.667 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.777 -2.553 4.333 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.453 -4.257 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.419 -5.692 6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.174 -5.447 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.002 -6.639 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.911 -5.594 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.417 -6.170 3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.154 -4.002 7.587 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.039 -3.013 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.578 -3.261 6.821 1.00 0.00 H new ATOM 306 N GLY A 20 1.659 -3.116 4.427 1.00 0.00 N ATOM 307 CA GLY A 20 3.114 -3.428 4.405 1.00 0.00 C ATOM 308 C GLY A 20 3.862 -2.504 5.362 1.00 0.00 C ATOM 309 O GLY A 20 3.266 -1.804 6.159 1.00 0.00 O ATOM 0 H GLY A 20 1.385 -2.346 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.275 -4.468 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.504 -3.310 3.394 1.00 0.00 H new ATOM 313 N LYS A 21 5.174 -2.497 5.285 1.00 0.00 N ATOM 314 CA LYS A 21 5.988 -1.623 6.187 1.00 0.00 C ATOM 315 C LYS A 21 6.623 -0.503 5.374 1.00 0.00 C ATOM 316 O LYS A 21 7.001 -0.686 4.229 1.00 0.00 O ATOM 317 CB LYS A 21 7.076 -2.460 6.863 1.00 0.00 C ATOM 318 CG LYS A 21 8.079 -2.969 5.822 1.00 0.00 C ATOM 319 CD LYS A 21 9.063 -3.940 6.489 1.00 0.00 C ATOM 320 CE LYS A 21 9.989 -3.183 7.448 1.00 0.00 C ATOM 321 NZ LYS A 21 11.161 -4.041 7.787 1.00 0.00 N ATOM 0 H LYS A 21 5.716 -3.063 4.632 1.00 0.00 H new ATOM 0 HA LYS A 21 5.345 -1.188 6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.592 -1.861 7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.624 -3.303 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.553 -3.469 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.620 -2.131 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.514 -4.708 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.654 -4.449 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.326 -2.254 6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.448 -2.912 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.790 -3.528 8.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.831 -4.916 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.681 -4.278 6.918 1.00 0.00 H new ATOM 335 N ILE A 22 6.724 0.663 5.963 1.00 0.00 N ATOM 336 CA ILE A 22 7.310 1.835 5.248 1.00 0.00 C ATOM 337 C ILE A 22 8.796 1.967 5.578 1.00 0.00 C ATOM 338 O ILE A 22 9.199 1.887 6.720 1.00 0.00 O ATOM 339 CB ILE A 22 6.580 3.102 5.693 1.00 0.00 C ATOM 340 CG1 ILE A 22 5.068 2.849 5.671 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.926 4.253 4.747 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.646 2.285 4.310 1.00 0.00 C ATOM 0 H ILE A 22 6.422 0.853 6.919 1.00 0.00 H new ATOM 0 HA ILE A 22 7.198 1.693 4.173 1.00 0.00 H new ATOM 0 HB ILE A 22 6.889 3.366 6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.797 2.150 6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.533 3.778 5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.405 5.155 5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.001 4.429 4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.619 3.996 3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.570 2.109 4.307 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.900 2.998 3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.168 1.345 4.128 1.00 0.00 H new ATOM 354 N THR A 23 9.617 2.167 4.578 1.00 0.00 N ATOM 355 CA THR A 23 11.084 2.306 4.820 1.00 0.00 C ATOM 356 C THR A 23 11.674 3.350 3.870 1.00 0.00 C ATOM 357 O THR A 23 11.129 3.635 2.822 1.00 0.00 O ATOM 358 CB THR A 23 11.770 0.958 4.592 1.00 0.00 C ATOM 359 OG1 THR A 23 13.178 1.144 4.577 1.00 0.00 O ATOM 360 CG2 THR A 23 11.318 0.360 3.258 1.00 0.00 C ATOM 0 H THR A 23 9.333 2.240 3.601 1.00 0.00 H new ATOM 0 HA THR A 23 11.248 2.628 5.848 1.00 0.00 H new ATOM 0 HB THR A 23 11.498 0.276 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.620 0.282 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.811 -0.600 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.238 0.215 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.582 1.038 2.447 1.00 0.00 H new ATOM 368 N GLY A 24 12.790 3.922 4.239 1.00 0.00 N ATOM 369 CA GLY A 24 13.432 4.955 3.374 1.00 0.00 C ATOM 370 C GLY A 24 12.555 6.208 3.347 1.00 0.00 C ATOM 371 O GLY A 24 12.052 6.606 2.318 1.00 0.00 O ATOM 0 H GLY A 24 13.286 3.717 5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.424 5.199 3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.565 4.568 2.364 1.00 0.00 H new ATOM 375 N ILE A 25 12.359 6.825 4.480 1.00 0.00 N ATOM 376 CA ILE A 25 11.501 8.043 4.535 1.00 0.00 C ATOM 377 C ILE A 25 12.255 9.257 3.996 1.00 0.00 C ATOM 378 O ILE A 25 13.365 9.543 4.399 1.00 0.00 O ATOM 379 CB ILE A 25 11.095 8.301 5.985 1.00 0.00 C ATOM 380 CG1 ILE A 25 10.527 7.012 6.594 1.00 0.00 C ATOM 381 CG2 ILE A 25 10.043 9.412 6.042 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.405 6.453 5.709 1.00 0.00 C ATOM 0 H ILE A 25 12.758 6.537 5.374 1.00 0.00 H new ATOM 0 HA ILE A 25 10.616 7.881 3.919 1.00 0.00 H new ATOM 0 HB ILE A 25 11.970 8.614 6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.320 6.271 6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.144 7.213 7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.758 9.591 7.079 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.456 10.327 5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.165 9.111 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.012 5.539 6.154 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.605 7.189 5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.799 6.233 4.717 1.00 0.00 H new ATOM 394 N HIS A 26 11.642 9.978 3.090 1.00 0.00 N ATOM 395 CA HIS A 26 12.284 11.195 2.507 1.00 0.00 C ATOM 396 C HIS A 26 11.295 12.356 2.580 1.00 0.00 C ATOM 397 O HIS A 26 10.195 12.281 2.074 1.00 0.00 O ATOM 398 CB HIS A 26 12.652 10.922 1.049 1.00 0.00 C ATOM 399 CG HIS A 26 13.687 9.833 1.001 1.00 0.00 C ATOM 400 ND1 HIS A 26 15.017 10.068 1.309 1.00 0.00 N ATOM 401 CD2 HIS A 26 13.604 8.499 0.688 1.00 0.00 C ATOM 402 CE1 HIS A 26 15.676 8.902 1.178 1.00 0.00 C ATOM 403 NE2 HIS A 26 14.861 7.913 0.801 1.00 0.00 N ATOM 0 H HIS A 26 10.712 9.772 2.726 1.00 0.00 H new ATOM 0 HA HIS A 26 13.187 11.446 3.064 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.767 10.625 0.487 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.037 11.828 0.582 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.701 7.983 0.398 1.00 0.00 H new ATOM 0 HE1 HIS A 26 16.734 8.781 1.356 1.00 0.00 H new ATOM 0 HE2 HIS A 26 15.107 6.938 0.632 1.00 0.00 H new ATOM 411 N LYS A 27 11.676 13.427 3.221 1.00 0.00 N ATOM 412 CA LYS A 27 10.757 14.592 3.345 1.00 0.00 C ATOM 413 C LYS A 27 10.895 15.498 2.126 1.00 0.00 C ATOM 414 O LYS A 27 11.983 15.786 1.671 1.00 0.00 O ATOM 415 CB LYS A 27 11.110 15.387 4.602 1.00 0.00 C ATOM 416 CG LYS A 27 10.123 16.546 4.767 1.00 0.00 C ATOM 417 CD LYS A 27 10.399 17.273 6.083 1.00 0.00 C ATOM 418 CE LYS A 27 9.389 18.410 6.258 1.00 0.00 C ATOM 419 NZ LYS A 27 9.620 19.451 5.215 1.00 0.00 N ATOM 0 H LYS A 27 12.587 13.545 3.665 1.00 0.00 H new ATOM 0 HA LYS A 27 9.731 14.229 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.075 14.738 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.128 15.770 4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.217 17.239 3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.100 16.170 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.327 16.576 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.414 17.670 6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.373 18.022 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.488 18.848 7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.133 20.329 5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.640 19.634 5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.248 19.117 4.303 1.00 0.00 H new ATOM 433 N LYS A 28 9.793 15.964 1.604 1.00 0.00 N ATOM 434 CA LYS A 28 9.845 16.871 0.426 1.00 0.00 C ATOM 435 C LYS A 28 8.694 17.869 0.519 1.00 0.00 C ATOM 436 O LYS A 28 7.593 17.523 0.898 1.00 0.00 O ATOM 437 CB LYS A 28 9.725 16.046 -0.860 1.00 0.00 C ATOM 438 CG LYS A 28 9.651 16.968 -2.087 1.00 0.00 C ATOM 439 CD LYS A 28 10.919 17.831 -2.167 1.00 0.00 C ATOM 440 CE LYS A 28 11.079 18.380 -3.583 1.00 0.00 C ATOM 441 NZ LYS A 28 11.156 17.242 -4.539 1.00 0.00 N ATOM 0 H LYS A 28 8.855 15.753 1.946 1.00 0.00 H new ATOM 0 HA LYS A 28 10.792 17.410 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.581 15.378 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.835 15.419 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.547 16.373 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.770 17.606 -2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.857 18.652 -1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.792 17.238 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.237 19.026 -3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.980 18.990 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.781 17.495 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.535 16.405 -4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.205 17.030 -4.903 1.00 0.00 H new ATOM 455 N GLU A 29 8.945 19.108 0.175 1.00 0.00 N ATOM 456 CA GLU A 29 7.876 20.154 0.237 1.00 0.00 C ATOM 457 C GLU A 29 7.559 20.666 -1.166 1.00 0.00 C ATOM 458 O GLU A 29 8.415 20.724 -2.027 1.00 0.00 O ATOM 459 CB GLU A 29 8.366 21.311 1.104 1.00 0.00 C ATOM 460 CG GLU A 29 8.428 20.845 2.556 1.00 0.00 C ATOM 461 CD GLU A 29 8.975 21.968 3.435 1.00 0.00 C ATOM 462 OE1 GLU A 29 9.282 23.019 2.898 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.077 21.758 4.633 1.00 0.00 O ATOM 0 H GLU A 29 9.852 19.443 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 29 6.971 19.723 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.350 21.642 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.694 22.164 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.434 20.554 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.064 19.963 2.638 1.00 0.00 H new ATOM 470 N TYR A 30 6.329 21.046 -1.401 1.00 0.00 N ATOM 471 CA TYR A 30 5.948 21.566 -2.747 1.00 0.00 C ATOM 472 C TYR A 30 4.859 22.627 -2.586 1.00 0.00 C ATOM 473 O TYR A 30 4.184 22.695 -1.578 1.00 0.00 O ATOM 474 CB TYR A 30 5.440 20.420 -3.627 1.00 0.00 C ATOM 475 CG TYR A 30 4.163 19.839 -3.058 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.194 19.112 -1.860 1.00 0.00 C ATOM 477 CD2 TYR A 30 2.950 20.010 -3.739 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.014 18.562 -1.344 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.772 19.460 -3.222 1.00 0.00 C ATOM 480 CZ TYR A 30 1.804 18.735 -2.025 1.00 0.00 C ATOM 481 OH TYR A 30 0.641 18.191 -1.518 1.00 0.00 O ATOM 0 H TYR A 30 5.572 21.018 -0.718 1.00 0.00 H new ATOM 0 HA TYR A 30 6.820 22.011 -3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.262 20.783 -4.639 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.201 19.642 -3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.128 18.976 -1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.925 20.567 -4.664 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.038 18.004 -0.420 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.838 19.595 -3.747 1.00 0.00 H new ATOM 0 HH TYR A 30 0.653 17.219 -1.642 1.00 0.00 H new ATOM 491 N GLU A 31 4.699 23.469 -3.569 1.00 0.00 N ATOM 492 CA GLU A 31 3.674 24.546 -3.476 1.00 0.00 C ATOM 493 C GLU A 31 2.305 24.013 -3.895 1.00 0.00 C ATOM 494 O GLU A 31 2.116 23.573 -5.012 1.00 0.00 O ATOM 495 CB GLU A 31 4.077 25.692 -4.404 1.00 0.00 C ATOM 496 CG GLU A 31 3.079 26.843 -4.261 1.00 0.00 C ATOM 497 CD GLU A 31 3.532 28.023 -5.122 1.00 0.00 C ATOM 498 OE1 GLU A 31 4.679 28.022 -5.538 1.00 0.00 O ATOM 499 OE2 GLU A 31 2.725 28.909 -5.348 1.00 0.00 O ATOM 0 H GLU A 31 5.236 23.457 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 31 3.613 24.898 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.082 26.036 -4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.102 25.345 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.085 26.516 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.007 27.148 -3.217 1.00 0.00 H new ATOM 506 N SER A 32 1.345 24.066 -3.003 1.00 0.00 N ATOM 507 CA SER A 32 -0.032 23.582 -3.325 1.00 0.00 C ATOM 508 C SER A 32 -1.016 24.746 -3.180 1.00 0.00 C ATOM 509 O SER A 32 -1.230 25.259 -2.101 1.00 0.00 O ATOM 510 CB SER A 32 -0.402 22.462 -2.352 1.00 0.00 C ATOM 511 OG SER A 32 0.718 21.607 -2.185 1.00 0.00 O ATOM 0 H SER A 32 1.460 24.428 -2.056 1.00 0.00 H new ATOM 0 HA SER A 32 -0.071 23.203 -4.346 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.702 22.881 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.253 21.898 -2.733 1.00 0.00 H new ATOM 0 HG SER A 32 0.634 20.837 -2.786 1.00 0.00 H new ATOM 517 N ASP A 33 -1.608 25.165 -4.265 1.00 0.00 N ATOM 518 CA ASP A 33 -2.580 26.297 -4.218 1.00 0.00 C ATOM 519 C ASP A 33 -1.921 27.523 -3.580 1.00 0.00 C ATOM 520 O ASP A 33 -2.571 28.328 -2.944 1.00 0.00 O ATOM 521 CB ASP A 33 -3.819 25.885 -3.415 1.00 0.00 C ATOM 522 CG ASP A 33 -4.628 24.872 -4.227 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.368 24.749 -5.413 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.492 24.232 -3.650 1.00 0.00 O ATOM 0 H ASP A 33 -1.459 24.768 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.885 26.550 -5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.521 25.450 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.429 26.760 -3.190 1.00 0.00 H new ATOM 529 N GLY A 34 -0.638 27.682 -3.767 1.00 0.00 N ATOM 530 CA GLY A 34 0.064 28.866 -3.190 1.00 0.00 C ATOM 531 C GLY A 34 0.415 28.596 -1.728 1.00 0.00 C ATOM 532 O GLY A 34 0.886 29.471 -1.031 1.00 0.00 O ATOM 0 H GLY A 34 -0.045 27.042 -4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.970 29.076 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.571 29.749 -3.264 1.00 0.00 H new ATOM 536 N THR A 35 0.188 27.392 -1.258 1.00 0.00 N ATOM 537 CA THR A 35 0.505 27.054 0.167 1.00 0.00 C ATOM 538 C THR A 35 1.511 25.902 0.217 1.00 0.00 C ATOM 539 O THR A 35 1.329 24.872 -0.401 1.00 0.00 O ATOM 540 CB THR A 35 -0.778 26.641 0.885 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.708 27.715 0.839 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.454 26.303 2.339 1.00 0.00 C ATOM 0 H THR A 35 -0.205 26.625 -1.803 1.00 0.00 H new ATOM 0 HA THR A 35 0.936 27.927 0.657 1.00 0.00 H new ATOM 0 HB THR A 35 -1.210 25.767 0.397 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.533 27.453 1.297 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.367 26.008 2.856 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.263 25.482 2.371 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.026 27.178 2.829 1.00 0.00 H new ATOM 550 N THR A 36 2.574 26.080 0.950 1.00 0.00 N ATOM 551 CA THR A 36 3.611 25.016 1.055 1.00 0.00 C ATOM 552 C THR A 36 3.053 23.814 1.817 1.00 0.00 C ATOM 553 O THR A 36 2.426 23.959 2.848 1.00 0.00 O ATOM 554 CB THR A 36 4.820 25.576 1.802 1.00 0.00 C ATOM 555 OG1 THR A 36 5.249 26.773 1.169 1.00 0.00 O ATOM 556 CG2 THR A 36 5.953 24.549 1.787 1.00 0.00 C ATOM 0 H THR A 36 2.771 26.925 1.486 1.00 0.00 H new ATOM 0 HA THR A 36 3.905 24.695 0.056 1.00 0.00 H new ATOM 0 HB THR A 36 4.545 25.790 2.835 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.024 27.136 1.647 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.815 24.950 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.620 23.632 2.274 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.233 24.331 0.756 1.00 0.00 H new ATOM 564 N LYS A 37 3.284 22.624 1.319 1.00 0.00 N ATOM 565 CA LYS A 37 2.776 21.395 2.004 1.00 0.00 C ATOM 566 C LYS A 37 3.906 20.378 2.120 1.00 0.00 C ATOM 567 O LYS A 37 4.780 20.303 1.281 1.00 0.00 O ATOM 568 CB LYS A 37 1.634 20.802 1.181 1.00 0.00 C ATOM 569 CG LYS A 37 0.465 21.795 1.112 1.00 0.00 C ATOM 570 CD LYS A 37 -0.168 21.977 2.500 1.00 0.00 C ATOM 571 CE LYS A 37 -1.557 22.595 2.355 1.00 0.00 C ATOM 572 NZ LYS A 37 -2.198 22.676 3.697 1.00 0.00 N ATOM 0 H LYS A 37 3.807 22.450 0.461 1.00 0.00 H new ATOM 0 HA LYS A 37 2.415 21.648 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.983 20.568 0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.301 19.866 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.818 22.756 0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.285 21.435 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.239 21.015 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.463 22.617 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.482 23.589 1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.168 21.993 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.145 23.096 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.281 21.721 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.616 23.267 4.324 1.00 0.00 H new ATOM 586 N SER A 38 3.898 19.603 3.173 1.00 0.00 N ATOM 587 CA SER A 38 4.973 18.591 3.378 1.00 0.00 C ATOM 588 C SER A 38 4.477 17.210 2.951 1.00 0.00 C ATOM 589 O SER A 38 3.382 16.802 3.286 1.00 0.00 O ATOM 590 CB SER A 38 5.340 18.555 4.860 1.00 0.00 C ATOM 591 OG SER A 38 6.214 17.460 5.101 1.00 0.00 O ATOM 0 H SER A 38 3.187 19.629 3.904 1.00 0.00 H new ATOM 0 HA SER A 38 5.844 18.859 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.820 19.489 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.440 18.457 5.467 1.00 0.00 H new ATOM 0 HG SER A 38 5.720 16.738 5.542 1.00 0.00 H new ATOM 597 N VAL A 39 5.289 16.484 2.226 1.00 0.00 N ATOM 598 CA VAL A 39 4.898 15.114 1.779 1.00 0.00 C ATOM 599 C VAL A 39 6.082 14.174 2.011 1.00 0.00 C ATOM 600 O VAL A 39 7.221 14.520 1.763 1.00 0.00 O ATOM 601 CB VAL A 39 4.519 15.143 0.292 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.587 15.893 -0.506 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.402 13.710 -0.239 1.00 0.00 C ATOM 0 H VAL A 39 6.215 16.785 1.922 1.00 0.00 H new ATOM 0 HA VAL A 39 4.035 14.762 2.345 1.00 0.00 H new ATOM 0 HB VAL A 39 3.562 15.653 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.310 15.909 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.666 16.915 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.547 15.390 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.133 13.734 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.357 13.199 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.633 13.177 0.319 1.00 0.00 H new ATOM 613 N TYR A 40 5.818 12.990 2.498 1.00 0.00 N ATOM 614 CA TYR A 40 6.915 12.012 2.768 1.00 0.00 C ATOM 615 C TYR A 40 6.902 10.925 1.698 1.00 0.00 C ATOM 616 O TYR A 40 5.865 10.394 1.358 1.00 0.00 O ATOM 617 CB TYR A 40 6.689 11.382 4.139 1.00 0.00 C ATOM 618 CG TYR A 40 6.852 12.445 5.196 1.00 0.00 C ATOM 619 CD1 TYR A 40 8.112 12.685 5.751 1.00 0.00 C ATOM 620 CD2 TYR A 40 5.747 13.196 5.611 1.00 0.00 C ATOM 621 CE1 TYR A 40 8.269 13.675 6.727 1.00 0.00 C ATOM 622 CE2 TYR A 40 5.902 14.188 6.586 1.00 0.00 C ATOM 623 CZ TYR A 40 7.164 14.427 7.145 1.00 0.00 C ATOM 624 OH TYR A 40 7.320 15.404 8.105 1.00 0.00 O ATOM 0 H TYR A 40 4.881 12.655 2.722 1.00 0.00 H new ATOM 0 HA TYR A 40 7.878 12.521 2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.692 10.945 4.194 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.401 10.573 4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.964 12.106 5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.775 13.010 5.179 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.242 13.859 7.158 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.050 14.768 6.907 1.00 0.00 H new ATOM 0 HH TYR A 40 6.456 15.832 8.280 1.00 0.00 H new ATOM 634 N GLN A 41 8.053 10.592 1.169 1.00 0.00 N ATOM 635 CA GLN A 41 8.136 9.535 0.114 1.00 0.00 C ATOM 636 C GLN A 41 9.098 8.444 0.566 1.00 0.00 C ATOM 637 O GLN A 41 10.024 8.687 1.311 1.00 0.00 O ATOM 638 CB GLN A 41 8.651 10.157 -1.183 1.00 0.00 C ATOM 639 CG GLN A 41 7.588 11.099 -1.745 1.00 0.00 C ATOM 640 CD GLN A 41 8.105 11.746 -3.029 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.176 11.423 -3.498 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.380 12.657 -3.620 1.00 0.00 N ATOM 0 H GLN A 41 8.947 11.011 1.425 1.00 0.00 H new ATOM 0 HA GLN A 41 7.148 9.105 -0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.576 10.703 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.882 9.377 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.670 10.548 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.344 11.867 -1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.480 12.928 -3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.714 13.098 -4.477 1.00 0.00 H new ATOM 651 N GLY A 42 8.880 7.240 0.123 1.00 0.00 N ATOM 652 CA GLY A 42 9.783 6.131 0.534 1.00 0.00 C ATOM 653 C GLY A 42 9.417 4.862 -0.230 1.00 0.00 C ATOM 654 O GLY A 42 8.981 4.914 -1.365 1.00 0.00 O ATOM 0 H GLY A 42 8.119 6.976 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.820 6.401 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.698 5.959 1.607 1.00 0.00 H new ATOM 658 N TYR A 43 9.588 3.720 0.387 1.00 0.00 N ATOM 659 CA TYR A 43 9.252 2.430 -0.287 1.00 0.00 C ATOM 660 C TYR A 43 8.436 1.556 0.661 1.00 0.00 C ATOM 661 O TYR A 43 8.699 1.503 1.845 1.00 0.00 O ATOM 662 CB TYR A 43 10.549 1.710 -0.648 1.00 0.00 C ATOM 663 CG TYR A 43 11.315 2.535 -1.651 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.097 3.612 -1.218 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.240 2.227 -3.014 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.804 4.382 -2.149 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.948 2.995 -3.945 1.00 0.00 C ATOM 668 CZ TYR A 43 12.730 4.073 -3.512 1.00 0.00 C ATOM 669 OH TYR A 43 13.428 4.831 -4.430 1.00 0.00 O ATOM 0 H TYR A 43 9.949 3.626 1.336 1.00 0.00 H new ATOM 0 HA TYR A 43 8.670 2.625 -1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.152 1.552 0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.329 0.726 -1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.155 3.849 -0.166 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.636 1.396 -3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.406 5.214 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.891 2.757 -4.997 1.00 0.00 H new ATOM 0 HH TYR A 43 13.468 4.354 -5.285 1.00 0.00 H new ATOM 679 N ILE A 44 7.461 0.855 0.140 1.00 0.00 N ATOM 680 CA ILE A 44 6.624 -0.044 0.992 1.00 0.00 C ATOM 681 C ILE A 44 6.846 -1.473 0.526 1.00 0.00 C ATOM 682 O ILE A 44 6.853 -1.735 -0.652 1.00 0.00 O ATOM 683 CB ILE A 44 5.144 0.324 0.842 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.314 -0.544 1.789 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.677 0.087 -0.601 1.00 0.00 C ATOM 686 CD1 ILE A 44 2.905 0.036 1.904 1.00 0.00 C ATOM 0 H ILE A 44 7.207 0.867 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 44 6.903 0.062 2.040 1.00 0.00 H new ATOM 0 HB ILE A 44 5.014 1.378 1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.269 -1.567 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.785 -0.583 2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.624 0.353 -0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.266 0.703 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.809 -0.964 -0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.311 -0.581 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.960 1.052 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.437 0.052 0.920 1.00 0.00 H new ATOM 698 N GLU A 45 7.048 -2.397 1.436 1.00 0.00 N ATOM 699 CA GLU A 45 7.293 -3.821 1.022 1.00 0.00 C ATOM 700 C GLU A 45 6.441 -4.778 1.850 1.00 0.00 C ATOM 701 O GLU A 45 6.127 -4.526 2.996 1.00 0.00 O ATOM 702 CB GLU A 45 8.774 -4.163 1.225 1.00 0.00 C ATOM 703 CG GLU A 45 9.039 -5.597 0.749 1.00 0.00 C ATOM 704 CD GLU A 45 10.532 -5.910 0.861 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.233 -5.138 1.495 1.00 0.00 O ATOM 706 OE2 GLU A 45 10.948 -6.918 0.313 1.00 0.00 O ATOM 0 H GLU A 45 7.054 -2.231 2.442 1.00 0.00 H new ATOM 0 HA GLU A 45 7.023 -3.928 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.399 -3.463 0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.040 -4.063 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.464 -6.302 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.709 -5.715 -0.283 1.00 0.00 H new ATOM 713 N ASP A 46 6.081 -5.890 1.266 1.00 0.00 N ATOM 714 CA ASP A 46 5.263 -6.895 1.995 1.00 0.00 C ATOM 715 C ASP A 46 5.256 -8.198 1.212 1.00 0.00 C ATOM 716 O ASP A 46 4.467 -8.392 0.318 1.00 0.00 O ATOM 717 CB ASP A 46 3.841 -6.387 2.140 1.00 0.00 C ATOM 718 CG ASP A 46 2.988 -7.409 2.894 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.474 -8.503 3.123 1.00 0.00 O ATOM 720 OD2 ASP A 46 1.859 -7.081 3.220 1.00 0.00 O ATOM 0 H ASP A 46 6.322 -6.144 0.308 1.00 0.00 H new ATOM 0 HA ASP A 46 5.689 -7.062 2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.839 -5.437 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.412 -6.200 1.156 1.00 0.00 H new ATOM 725 N ASP A 47 6.130 -9.084 1.571 1.00 0.00 N ATOM 726 CA ASP A 47 6.223 -10.412 0.888 1.00 0.00 C ATOM 727 C ASP A 47 6.241 -10.241 -0.635 1.00 0.00 C ATOM 728 O ASP A 47 7.279 -10.314 -1.259 1.00 0.00 O ATOM 729 CB ASP A 47 5.024 -11.273 1.282 1.00 0.00 C ATOM 730 CG ASP A 47 5.184 -12.673 0.684 1.00 0.00 C ATOM 731 OD1 ASP A 47 6.148 -13.338 1.028 1.00 0.00 O ATOM 732 OD2 ASP A 47 4.340 -13.057 -0.108 1.00 0.00 O ATOM 0 H ASP A 47 6.803 -8.949 2.325 1.00 0.00 H new ATOM 0 HA ASP A 47 7.150 -10.895 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.949 -11.336 2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.101 -10.816 0.924 1.00 0.00 H new ATOM 737 N THR A 48 5.089 -10.035 -1.231 1.00 0.00 N ATOM 738 CA THR A 48 4.995 -9.874 -2.716 1.00 0.00 C ATOM 739 C THR A 48 6.210 -9.115 -3.259 1.00 0.00 C ATOM 740 O THR A 48 7.116 -9.700 -3.817 1.00 0.00 O ATOM 741 CB THR A 48 3.730 -9.076 -3.047 1.00 0.00 C ATOM 742 OG1 THR A 48 2.625 -9.617 -2.337 1.00 0.00 O ATOM 743 CG2 THR A 48 3.458 -9.135 -4.548 1.00 0.00 C ATOM 0 H THR A 48 4.196 -9.971 -0.741 1.00 0.00 H new ATOM 0 HA THR A 48 4.962 -10.862 -3.175 1.00 0.00 H new ATOM 0 HB THR A 48 3.874 -8.037 -2.752 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.911 -8.948 -2.284 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.557 -8.566 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.304 -8.709 -5.088 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.319 -10.172 -4.852 1.00 0.00 H new ATOM 751 N ALA A 49 6.242 -7.824 -3.101 1.00 0.00 N ATOM 752 CA ALA A 49 7.400 -7.048 -3.614 1.00 0.00 C ATOM 753 C ALA A 49 7.446 -5.693 -2.925 1.00 0.00 C ATOM 754 O ALA A 49 6.964 -5.532 -1.819 1.00 0.00 O ATOM 755 CB ALA A 49 7.245 -6.838 -5.119 1.00 0.00 C ATOM 0 H ALA A 49 5.518 -7.274 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 49 8.321 -7.596 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.094 -6.269 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.206 -7.806 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.324 -6.290 -5.317 1.00 0.00 H new ATOM 761 N ARG A 50 8.025 -4.711 -3.575 1.00 0.00 N ATOM 762 CA ARG A 50 8.108 -3.352 -2.964 1.00 0.00 C ATOM 763 C ARG A 50 7.831 -2.275 -4.011 1.00 0.00 C ATOM 764 O ARG A 50 8.080 -2.456 -5.186 1.00 0.00 O ATOM 765 CB ARG A 50 9.502 -3.146 -2.366 1.00 0.00 C ATOM 766 CG ARG A 50 10.567 -3.242 -3.464 1.00 0.00 C ATOM 767 CD ARG A 50 11.951 -3.027 -2.847 1.00 0.00 C ATOM 768 NE ARG A 50 12.993 -3.121 -3.913 1.00 0.00 N ATOM 769 CZ ARG A 50 13.329 -2.065 -4.607 1.00 0.00 C ATOM 770 NH1 ARG A 50 12.748 -0.917 -4.385 1.00 0.00 N ATOM 771 NH2 ARG A 50 14.251 -2.158 -5.526 1.00 0.00 N ATOM 0 H ARG A 50 8.443 -4.795 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 50 7.357 -3.273 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.557 -2.172 -1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.691 -3.897 -1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.520 -4.217 -3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.380 -2.494 -4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.997 -2.051 -2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.137 -3.774 -2.075 1.00 0.00 H new ATOM 0 HE ARG A 50 13.446 -4.015 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.028 -0.840 -3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.014 -0.097 -4.930 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.708 -3.053 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.515 -1.336 -6.069 1.00 0.00 H new ATOM 785 N ILE A 51 7.322 -1.144 -3.586 1.00 0.00 N ATOM 786 CA ILE A 51 7.034 -0.043 -4.551 1.00 0.00 C ATOM 787 C ILE A 51 7.159 1.317 -3.854 1.00 0.00 C ATOM 788 O ILE A 51 7.159 1.412 -2.643 1.00 0.00 O ATOM 789 CB ILE A 51 5.620 -0.209 -5.117 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.382 0.841 -6.207 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.582 -0.031 -4.002 1.00 0.00 C ATOM 792 CD1 ILE A 51 4.153 0.454 -7.029 1.00 0.00 C ATOM 0 H ILE A 51 7.095 -0.938 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 51 7.756 -0.088 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 51 5.520 -1.209 -5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.236 1.822 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.257 0.914 -6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.580 -0.151 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.747 -0.780 -3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.679 0.965 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.984 1.201 -7.804 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.317 -0.519 -7.492 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.281 0.403 -6.377 1.00 0.00 H new ATOM 804 N ARG A 52 7.264 2.366 -4.623 1.00 0.00 N ATOM 805 CA ARG A 52 7.389 3.733 -4.037 1.00 0.00 C ATOM 806 C ARG A 52 6.025 4.260 -3.590 1.00 0.00 C ATOM 807 O ARG A 52 5.002 3.940 -4.162 1.00 0.00 O ATOM 808 CB ARG A 52 7.975 4.673 -5.091 1.00 0.00 C ATOM 809 CG ARG A 52 9.460 4.369 -5.263 1.00 0.00 C ATOM 810 CD ARG A 52 10.021 5.186 -6.426 1.00 0.00 C ATOM 811 NE ARG A 52 9.880 6.642 -6.134 1.00 0.00 N ATOM 812 CZ ARG A 52 10.801 7.278 -5.456 1.00 0.00 C ATOM 813 NH1 ARG A 52 11.851 6.640 -5.014 1.00 0.00 N ATOM 814 NH2 ARG A 52 10.668 8.554 -5.221 1.00 0.00 N ATOM 0 H ARG A 52 7.269 2.335 -5.643 1.00 0.00 H new ATOM 0 HA ARG A 52 8.043 3.685 -3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.453 4.546 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.837 5.711 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.998 4.607 -4.346 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.604 3.305 -5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.070 4.937 -6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.492 4.937 -7.346 1.00 0.00 H new ATOM 0 HE ARG A 52 9.058 7.147 -6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.956 5.642 -5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.567 7.140 -4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.848 9.053 -5.565 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.384 9.053 -4.693 1.00 0.00 H new ATOM 828 N ILE A 53 6.010 5.075 -2.567 1.00 0.00 N ATOM 829 CA ILE A 53 4.721 5.645 -2.069 1.00 0.00 C ATOM 830 C ILE A 53 4.928 7.098 -1.643 1.00 0.00 C ATOM 831 O ILE A 53 6.045 7.547 -1.447 1.00 0.00 O ATOM 832 CB ILE A 53 4.213 4.823 -0.876 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.083 5.060 0.375 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.249 3.341 -1.234 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.562 4.818 0.062 1.00 0.00 C ATOM 0 H ILE A 53 6.839 5.372 -2.052 1.00 0.00 H new ATOM 0 HA ILE A 53 3.982 5.607 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 53 3.193 5.137 -0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.944 6.081 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.763 4.395 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.889 2.754 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.612 3.160 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.272 3.048 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.157 4.991 0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.700 3.790 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.884 5.501 -0.724 1.00 0.00 H new ATOM 847 N SER A 54 3.855 7.832 -1.481 1.00 0.00 N ATOM 848 CA SER A 54 3.968 9.256 -1.050 1.00 0.00 C ATOM 849 C SER A 54 2.849 9.567 -0.054 1.00 0.00 C ATOM 850 O SER A 54 1.689 9.328 -0.322 1.00 0.00 O ATOM 851 CB SER A 54 3.841 10.167 -2.271 1.00 0.00 C ATOM 852 OG SER A 54 2.598 9.926 -2.912 1.00 0.00 O ATOM 0 H SER A 54 2.901 7.502 -1.630 1.00 0.00 H new ATOM 0 HA SER A 54 4.935 9.425 -0.576 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.910 11.212 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.662 9.982 -2.964 1.00 0.00 H new ATOM 0 HG SER A 54 2.514 10.511 -3.694 1.00 0.00 H new ATOM 858 N SER A 55 3.195 10.095 1.098 1.00 0.00 N ATOM 859 CA SER A 55 2.161 10.426 2.131 1.00 0.00 C ATOM 860 C SER A 55 2.036 11.946 2.249 1.00 0.00 C ATOM 861 O SER A 55 2.979 12.633 2.588 1.00 0.00 O ATOM 862 CB SER A 55 2.591 9.834 3.475 1.00 0.00 C ATOM 863 OG SER A 55 1.463 9.754 4.333 1.00 0.00 O ATOM 0 H SER A 55 4.155 10.312 1.368 1.00 0.00 H new ATOM 0 HA SER A 55 1.197 10.008 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.022 8.844 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.364 10.454 3.928 1.00 0.00 H new ATOM 0 HG SER A 55 1.650 10.236 5.166 1.00 0.00 H new ATOM 869 N PHE A 56 0.878 12.475 1.955 1.00 0.00 N ATOM 870 CA PHE A 56 0.677 13.952 2.022 1.00 0.00 C ATOM 871 C PHE A 56 0.076 14.359 3.372 1.00 0.00 C ATOM 872 O PHE A 56 -0.979 13.901 3.760 1.00 0.00 O ATOM 873 CB PHE A 56 -0.272 14.366 0.896 1.00 0.00 C ATOM 874 CG PHE A 56 0.459 14.304 -0.424 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.203 15.405 -0.861 1.00 0.00 C ATOM 876 CD2 PHE A 56 0.398 13.145 -1.206 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.888 15.348 -2.081 1.00 0.00 C ATOM 878 CE2 PHE A 56 1.081 13.088 -2.427 1.00 0.00 C ATOM 879 CZ PHE A 56 1.826 14.190 -2.864 1.00 0.00 C ATOM 0 H PHE A 56 0.056 11.943 1.669 1.00 0.00 H new ATOM 0 HA PHE A 56 1.640 14.450 1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.139 13.706 0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.644 15.376 1.071 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.249 16.299 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.176 12.295 -0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.464 16.197 -2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.033 12.194 -3.031 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.353 14.146 -3.806 1.00 0.00 H new ATOM 889 N GLY A 57 0.738 15.243 4.072 1.00 0.00 N ATOM 890 CA GLY A 57 0.214 15.721 5.385 1.00 0.00 C ATOM 891 C GLY A 57 0.345 14.631 6.448 1.00 0.00 C ATOM 892 O GLY A 57 0.552 14.915 7.610 1.00 0.00 O ATOM 0 H GLY A 57 1.626 15.657 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.762 16.610 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.832 16.011 5.281 1.00 0.00 H new ATOM 896 N LYS A 58 0.211 13.388 6.076 1.00 0.00 N ATOM 897 CA LYS A 58 0.311 12.297 7.087 1.00 0.00 C ATOM 898 C LYS A 58 1.769 11.867 7.248 1.00 0.00 C ATOM 899 O LYS A 58 2.470 11.614 6.289 1.00 0.00 O ATOM 900 CB LYS A 58 -0.541 11.116 6.620 1.00 0.00 C ATOM 901 CG LYS A 58 -2.008 11.558 6.465 1.00 0.00 C ATOM 902 CD LYS A 58 -2.700 11.603 7.833 1.00 0.00 C ATOM 903 CE LYS A 58 -4.176 11.957 7.647 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.868 10.838 6.948 1.00 0.00 N ATOM 0 H LYS A 58 0.037 13.081 5.119 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.051 12.651 8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.164 10.737 5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.472 10.300 7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.051 12.541 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.535 10.868 5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.607 10.638 8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.216 12.341 8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.642 12.140 8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.271 12.876 7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.893 11.014 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.521 10.772 5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.674 9.945 7.445 1.00 0.00 H new ATOM 918 N GLN A 59 2.232 11.800 8.470 1.00 0.00 N ATOM 919 CA GLN A 59 3.646 11.408 8.730 1.00 0.00 C ATOM 920 C GLN A 59 3.752 9.892 8.908 1.00 0.00 C ATOM 921 O GLN A 59 2.860 9.253 9.431 1.00 0.00 O ATOM 922 CB GLN A 59 4.131 12.103 10.001 1.00 0.00 C ATOM 923 CG GLN A 59 5.597 11.746 10.247 1.00 0.00 C ATOM 924 CD GLN A 59 6.133 12.557 11.428 1.00 0.00 C ATOM 925 OE1 GLN A 59 5.552 13.551 11.810 1.00 0.00 O ATOM 926 NE2 GLN A 59 7.225 12.166 12.024 1.00 0.00 N ATOM 0 H GLN A 59 1.683 12.003 9.306 1.00 0.00 H new ATOM 0 HA GLN A 59 4.262 11.707 7.882 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.020 13.183 9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.523 11.796 10.852 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.692 10.680 10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.187 11.953 9.354 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.711 11.330 11.700 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.593 12.696 12.814 1.00 0.00 H new ATOM 935 N LEU A 60 4.849 9.318 8.482 1.00 0.00 N ATOM 936 CA LEU A 60 5.051 7.843 8.619 1.00 0.00 C ATOM 937 C LEU A 60 6.440 7.574 9.189 1.00 0.00 C ATOM 938 O LEU A 60 7.356 8.349 8.999 1.00 0.00 O ATOM 939 CB LEU A 60 4.926 7.191 7.243 1.00 0.00 C ATOM 940 CG LEU A 60 3.498 7.379 6.715 1.00 0.00 C ATOM 941 CD1 LEU A 60 3.426 6.881 5.268 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.495 6.594 7.586 1.00 0.00 C ATOM 0 H LEU A 60 5.622 9.815 8.040 1.00 0.00 H new ATOM 0 HA LEU A 60 4.299 7.427 9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.642 7.636 6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.164 6.129 7.309 1.00 0.00 H new ATOM 0 HG LEU A 60 3.239 8.437 6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.413 7.012 4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.121 7.451 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.692 5.825 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.486 6.738 7.198 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.745 5.533 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.544 6.956 8.613 1.00 0.00 H new ATOM 954 N GLN A 61 6.598 6.481 9.896 1.00 0.00 N ATOM 955 CA GLN A 61 7.924 6.146 10.504 1.00 0.00 C ATOM 956 C GLN A 61 8.517 4.906 9.827 1.00 0.00 C ATOM 957 O GLN A 61 7.814 4.025 9.367 1.00 0.00 O ATOM 958 CB GLN A 61 7.737 5.885 11.997 1.00 0.00 C ATOM 959 CG GLN A 61 7.428 7.204 12.704 1.00 0.00 C ATOM 960 CD GLN A 61 7.176 6.942 14.188 1.00 0.00 C ATOM 961 OE1 GLN A 61 7.311 5.828 14.651 1.00 0.00 O ATOM 962 NE2 GLN A 61 6.815 7.930 14.961 1.00 0.00 N ATOM 0 H GLN A 61 5.859 5.802 10.079 1.00 0.00 H new ATOM 0 HA GLN A 61 8.610 6.981 10.361 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.925 5.175 12.155 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.638 5.437 12.416 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.260 7.897 12.583 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.554 7.674 12.254 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.701 8.866 14.573 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.647 7.766 15.953 1.00 0.00 H new ATOM 971 N ASP A 62 9.815 4.855 9.749 1.00 0.00 N ATOM 972 CA ASP A 62 10.503 3.711 9.086 1.00 0.00 C ATOM 973 C ASP A 62 10.275 2.402 9.851 1.00 0.00 C ATOM 974 O ASP A 62 10.360 2.348 11.060 1.00 0.00 O ATOM 975 CB ASP A 62 11.999 4.017 9.031 1.00 0.00 C ATOM 976 CG ASP A 62 12.733 2.892 8.304 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.105 1.884 8.023 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.911 3.060 8.037 1.00 0.00 O ATOM 0 H ASP A 62 10.440 5.569 10.122 1.00 0.00 H new ATOM 0 HA ASP A 62 10.095 3.585 8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.167 4.964 8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.394 4.128 10.041 1.00 0.00 H new ATOM 983 N SER A 63 10.002 1.344 9.131 1.00 0.00 N ATOM 984 CA SER A 63 9.777 0.014 9.768 1.00 0.00 C ATOM 985 C SER A 63 8.397 -0.023 10.424 1.00 0.00 C ATOM 986 O SER A 63 8.046 -0.968 11.102 1.00 0.00 O ATOM 987 CB SER A 63 10.866 -0.255 10.816 1.00 0.00 C ATOM 988 OG SER A 63 10.437 0.227 12.082 1.00 0.00 O ATOM 0 H SER A 63 9.925 1.347 8.114 1.00 0.00 H new ATOM 0 HA SER A 63 9.825 -0.760 9.002 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.074 -1.323 10.874 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.795 0.235 10.524 1.00 0.00 H new ATOM 0 HG SER A 63 10.289 1.194 12.031 1.00 0.00 H new ATOM 994 N ASP A 64 7.606 0.995 10.225 1.00 0.00 N ATOM 995 CA ASP A 64 6.247 1.017 10.831 1.00 0.00 C ATOM 996 C ASP A 64 5.262 0.251 9.944 1.00 0.00 C ATOM 997 O ASP A 64 5.086 0.560 8.777 1.00 0.00 O ATOM 998 CB ASP A 64 5.791 2.467 10.978 1.00 0.00 C ATOM 999 CG ASP A 64 4.409 2.514 11.631 1.00 0.00 C ATOM 1000 OD1 ASP A 64 3.827 1.458 11.817 1.00 0.00 O ATOM 1001 OD2 ASP A 64 3.957 3.605 11.934 1.00 0.00 O ATOM 0 H ASP A 64 7.844 1.815 9.667 1.00 0.00 H new ATOM 0 HA ASP A 64 6.279 0.539 11.810 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.508 3.023 11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.757 2.948 10.000 1.00 0.00 H new ATOM 1006 N VAL A 65 4.620 -0.749 10.492 1.00 0.00 N ATOM 1007 CA VAL A 65 3.638 -1.540 9.697 1.00 0.00 C ATOM 1008 C VAL A 65 2.283 -0.842 9.750 1.00 0.00 C ATOM 1009 O VAL A 65 1.706 -0.663 10.811 1.00 0.00 O ATOM 1010 CB VAL A 65 3.519 -2.944 10.287 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.752 -3.841 9.313 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.921 -3.514 10.507 1.00 0.00 C ATOM 0 H VAL A 65 4.735 -1.051 11.459 1.00 0.00 H new ATOM 0 HA VAL A 65 3.972 -1.615 8.662 1.00 0.00 H new ATOM 0 HB VAL A 65 2.986 -2.901 11.237 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.666 -4.843 9.732 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.756 -3.430 9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.287 -3.889 8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.844 -4.516 10.928 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.449 -3.560 9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.471 -2.872 11.196 1.00 0.00 H new ATOM 1022 N VAL A 66 1.772 -0.442 8.610 1.00 0.00 N ATOM 1023 CA VAL A 66 0.454 0.256 8.576 1.00 0.00 C ATOM 1024 C VAL A 66 -0.380 -0.277 7.413 1.00 0.00 C ATOM 1025 O VAL A 66 0.139 -0.853 6.468 1.00 0.00 O ATOM 1026 CB VAL A 66 0.685 1.759 8.387 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.539 2.295 9.541 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.408 2.010 7.058 1.00 0.00 C ATOM 0 H VAL A 66 2.215 -0.571 7.700 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.076 0.078 9.512 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.277 2.271 8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.703 3.364 9.406 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.023 2.123 10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.499 1.779 9.553 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.570 3.080 6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.369 1.496 7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.800 1.633 6.236 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.673 -0.070 7.474 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.579 -0.532 6.381 1.00 0.00 C ATOM 1040 C ARG A 67 -3.216 0.701 5.749 1.00 0.00 C ATOM 1041 O ARG A 67 -3.831 1.504 6.423 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.670 -1.438 6.967 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.461 -2.086 5.827 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.296 -3.246 6.372 1.00 0.00 C ATOM 1045 NE ARG A 67 -4.382 -4.304 6.890 1.00 0.00 N ATOM 1046 CZ ARG A 67 -4.859 -5.315 7.569 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -6.143 -5.418 7.775 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -4.049 -6.225 8.036 1.00 0.00 N ATOM 0 H ARG A 67 -2.143 0.405 8.245 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.021 -1.096 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.221 -2.207 7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.338 -0.857 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.110 -1.348 5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.779 -2.447 5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.954 -2.895 7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.934 -3.652 5.587 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.379 -4.239 6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.777 -4.709 7.406 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.513 -6.207 8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.045 -6.147 7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.419 -7.014 8.566 1.00 0.00 H new ATOM 1062 N ILE A 68 -3.057 0.867 4.461 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.633 2.062 3.772 1.00 0.00 C ATOM 1064 C ILE A 68 -4.829 1.634 2.932 1.00 0.00 C ATOM 1065 O ILE A 68 -4.755 0.697 2.162 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.569 2.678 2.863 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.348 3.053 3.706 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.132 3.941 2.204 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.178 3.426 2.791 1.00 0.00 C ATOM 0 H ILE A 68 -2.550 0.223 3.853 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.953 2.795 4.513 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.283 1.961 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.590 3.890 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.067 2.218 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.375 4.382 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.010 3.682 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.412 4.659 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.688 3.692 3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.072 2.577 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.459 4.275 2.168 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.931 2.326 3.079 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.161 1.987 2.300 1.00 0.00 C ATOM 1083 C ASP A 69 -7.535 3.154 1.382 1.00 0.00 C ATOM 1084 O ASP A 69 -7.371 4.311 1.726 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.307 1.717 3.270 1.00 0.00 C ATOM 1086 CG ASP A 69 -8.061 0.388 3.987 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.214 -0.361 3.528 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.722 0.143 4.980 1.00 0.00 O ATOM 0 H ASP A 69 -6.032 3.119 3.712 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.973 1.102 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.382 2.526 3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.254 1.683 2.731 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.044 2.842 0.220 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.446 3.897 -0.753 1.00 0.00 C ATOM 1095 C ASN A 70 -7.207 4.672 -1.209 1.00 0.00 C ATOM 1096 O ASN A 70 -7.257 5.861 -1.451 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.447 4.855 -0.095 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.204 5.629 -1.175 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.601 5.068 -2.174 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.413 6.908 -1.020 1.00 0.00 N ATOM 0 H ASN A 70 -8.200 1.886 -0.100 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.917 3.430 -1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.148 4.295 0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.923 5.548 0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.910 7.434 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.080 7.381 -0.180 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.098 3.995 -1.346 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.853 4.671 -1.802 1.00 0.00 C ATOM 1109 C ALA A 71 -5.012 5.081 -3.264 1.00 0.00 C ATOM 1110 O ALA A 71 -5.663 4.400 -4.035 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.671 3.709 -1.670 1.00 0.00 C ATOM 0 H ALA A 71 -6.003 2.997 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.671 5.554 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.759 4.205 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.560 3.410 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.850 2.826 -2.284 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.425 6.189 -3.648 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.542 6.663 -5.061 1.00 0.00 C ATOM 1119 C ARG A 72 -3.279 6.300 -5.842 1.00 0.00 C ATOM 1120 O ARG A 72 -2.176 6.633 -5.456 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.718 8.183 -5.062 1.00 0.00 C ATOM 1122 CG ARG A 72 -4.914 8.670 -6.498 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.225 10.168 -6.496 1.00 0.00 C ATOM 1124 NE ARG A 72 -4.058 10.923 -5.952 1.00 0.00 N ATOM 1125 CZ ARG A 72 -3.075 11.289 -6.736 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -3.102 10.994 -8.007 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -2.067 11.954 -6.242 1.00 0.00 N ATOM 0 H ARG A 72 -3.867 6.788 -3.039 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.401 6.186 -5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.577 8.461 -4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.844 8.662 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.016 8.476 -7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.728 8.120 -6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.448 10.504 -7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.111 10.365 -5.892 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.026 11.156 -4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.891 10.476 -8.394 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.334 11.281 -8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.047 12.187 -5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.299 12.241 -6.849 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.439 5.613 -6.940 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.262 5.211 -7.759 1.00 0.00 C ATOM 1143 C VAL A 73 -1.887 6.346 -8.712 1.00 0.00 C ATOM 1144 O VAL A 73 -2.731 6.921 -9.373 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.619 3.961 -8.564 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.419 3.537 -9.415 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -2.988 2.833 -7.599 1.00 0.00 C ATOM 0 H VAL A 73 -4.342 5.311 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.415 4.999 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.464 4.175 -9.219 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.676 2.646 -9.988 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.154 4.344 -10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.571 3.319 -8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.244 1.938 -8.166 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.141 2.620 -6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.843 3.136 -6.995 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.625 6.673 -8.788 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.186 7.773 -9.697 1.00 0.00 C ATOM 1159 C ALA A 74 1.191 7.438 -10.269 1.00 0.00 C ATOM 1160 O ALA A 74 1.884 6.567 -9.780 1.00 0.00 O ATOM 1161 CB ALA A 74 -0.100 9.080 -8.906 1.00 0.00 C ATOM 0 H ALA A 74 0.123 6.225 -8.259 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.904 7.883 -10.510 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.220 9.885 -9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.079 9.319 -8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.620 8.968 -8.095 1.00 0.00 H new ATOM 1167 N GLN A 75 1.590 8.131 -11.305 1.00 0.00 N ATOM 1168 CA GLN A 75 2.923 7.876 -11.928 1.00 0.00 C ATOM 1169 C GLN A 75 3.902 8.971 -11.510 1.00 0.00 C ATOM 1170 O GLN A 75 3.757 10.123 -11.870 1.00 0.00 O ATOM 1171 CB GLN A 75 2.771 7.877 -13.452 1.00 0.00 C ATOM 1172 CG GLN A 75 2.168 6.547 -13.896 1.00 0.00 C ATOM 1173 CD GLN A 75 1.915 6.564 -15.403 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.253 7.515 -16.077 1.00 0.00 O ATOM 1175 NE2 GLN A 75 1.330 5.540 -15.963 1.00 0.00 N ATOM 0 H GLN A 75 1.044 8.869 -11.749 1.00 0.00 H new ATOM 0 HA GLN A 75 3.304 6.910 -11.597 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.132 8.703 -13.765 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.741 8.027 -13.926 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.843 5.730 -13.642 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.234 6.366 -13.364 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.046 4.741 -15.395 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.157 5.539 -16.968 1.00 0.00 H new ATOM 1184 N PHE A 76 4.912 8.604 -10.762 1.00 0.00 N ATOM 1185 CA PHE A 76 5.937 9.590 -10.310 1.00 0.00 C ATOM 1186 C PHE A 76 7.254 9.303 -11.028 1.00 0.00 C ATOM 1187 O PHE A 76 7.793 8.217 -10.948 1.00 0.00 O ATOM 1188 CB PHE A 76 6.124 9.467 -8.791 1.00 0.00 C ATOM 1189 CG PHE A 76 5.016 10.216 -8.087 1.00 0.00 C ATOM 1190 CD1 PHE A 76 5.091 11.608 -7.967 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.918 9.526 -7.559 1.00 0.00 C ATOM 1192 CE1 PHE A 76 4.071 12.312 -7.321 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.895 10.231 -6.912 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.972 11.624 -6.792 1.00 0.00 C ATOM 0 H PHE A 76 5.071 7.649 -10.442 1.00 0.00 H new ATOM 0 HA PHE A 76 5.613 10.603 -10.546 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.113 8.418 -8.496 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.094 9.870 -8.499 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.938 12.139 -8.374 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.860 8.451 -7.650 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.130 13.387 -7.230 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.047 9.700 -6.506 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.184 12.168 -6.292 1.00 0.00 H new ATOM 1204 N ASN A 77 7.759 10.272 -11.738 1.00 0.00 N ATOM 1205 CA ASN A 77 9.034 10.093 -12.485 1.00 0.00 C ATOM 1206 C ASN A 77 8.907 8.891 -13.428 1.00 0.00 C ATOM 1207 O ASN A 77 9.871 8.217 -13.727 1.00 0.00 O ATOM 1208 CB ASN A 77 10.188 9.877 -11.499 1.00 0.00 C ATOM 1209 CG ASN A 77 10.452 11.177 -10.731 1.00 0.00 C ATOM 1210 OD1 ASN A 77 9.860 12.281 -11.107 1.00 0.00 O flip ATOM 1211 ND2 ASN A 77 11.196 11.187 -9.772 1.00 0.00 N flip ATOM 0 H ASN A 77 7.335 11.195 -11.834 1.00 0.00 H new ATOM 0 HA ASN A 77 9.241 10.987 -13.073 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.941 9.075 -10.804 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.086 9.570 -12.035 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.659 10.327 -9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.358 12.055 -9.261 1.00 0.00 H new ATOM 1218 N GLY A 78 7.720 8.638 -13.919 1.00 0.00 N ATOM 1219 CA GLY A 78 7.525 7.501 -14.861 1.00 0.00 C ATOM 1220 C GLY A 78 7.459 6.189 -14.082 1.00 0.00 C ATOM 1221 O GLY A 78 7.543 5.121 -14.652 1.00 0.00 O ATOM 0 H GLY A 78 6.878 9.172 -13.706 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.607 7.643 -15.431 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.344 7.467 -15.579 1.00 0.00 H new ATOM 1225 N TYR A 79 7.312 6.262 -12.779 1.00 0.00 N ATOM 1226 CA TYR A 79 7.242 5.022 -11.942 1.00 0.00 C ATOM 1227 C TYR A 79 5.924 4.985 -11.169 1.00 0.00 C ATOM 1228 O TYR A 79 5.466 5.981 -10.646 1.00 0.00 O ATOM 1229 CB TYR A 79 8.413 5.010 -10.963 1.00 0.00 C ATOM 1230 CG TYR A 79 9.696 4.802 -11.731 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.077 3.509 -12.111 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.501 5.897 -12.065 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.265 3.311 -12.824 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.689 5.699 -12.779 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.071 4.406 -13.158 1.00 0.00 C ATOM 1236 OH TYR A 79 13.242 4.210 -13.860 1.00 0.00 O ATOM 0 H TYR A 79 7.237 7.135 -12.257 1.00 0.00 H new ATOM 0 HA TYR A 79 7.295 4.147 -12.589 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.452 5.950 -10.412 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.281 4.215 -10.229 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.454 2.665 -11.854 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.206 6.894 -11.772 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.560 2.314 -13.116 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.311 6.543 -13.037 1.00 0.00 H new ATOM 0 HH TYR A 79 13.681 5.073 -14.011 1.00 0.00 H new ATOM 1246 N LEU A 80 5.315 3.837 -11.099 1.00 0.00 N ATOM 1247 CA LEU A 80 4.023 3.711 -10.374 1.00 0.00 C ATOM 1248 C LEU A 80 4.248 3.826 -8.866 1.00 0.00 C ATOM 1249 O LEU A 80 5.201 3.301 -8.326 1.00 0.00 O ATOM 1250 CB LEU A 80 3.404 2.349 -10.699 1.00 0.00 C ATOM 1251 CG LEU A 80 2.851 2.354 -12.135 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.576 0.914 -12.577 1.00 0.00 C ATOM 1253 CD2 LEU A 80 1.542 3.168 -12.208 1.00 0.00 C ATOM 0 H LEU A 80 5.660 2.973 -11.517 1.00 0.00 H new ATOM 0 HA LEU A 80 3.352 4.511 -10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.153 1.564 -10.591 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.604 2.125 -9.993 1.00 0.00 H new ATOM 0 HG LEU A 80 3.588 2.813 -12.794 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.184 0.914 -13.594 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.502 0.340 -12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.846 0.461 -11.907 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.165 3.161 -13.231 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.800 2.724 -11.545 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.735 4.196 -11.900 1.00 0.00 H new ATOM 1265 N SER A 81 3.368 4.509 -8.184 1.00 0.00 N ATOM 1266 CA SER A 81 3.514 4.665 -6.711 1.00 0.00 C ATOM 1267 C SER A 81 2.137 4.939 -6.101 1.00 0.00 C ATOM 1268 O SER A 81 1.203 5.297 -6.792 1.00 0.00 O ATOM 1269 CB SER A 81 4.470 5.835 -6.411 1.00 0.00 C ATOM 1270 OG SER A 81 3.835 6.771 -5.545 1.00 0.00 O ATOM 0 H SER A 81 2.551 4.967 -8.588 1.00 0.00 H new ATOM 0 HA SER A 81 3.926 3.754 -6.278 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.383 5.460 -5.949 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.761 6.325 -7.340 1.00 0.00 H new ATOM 0 HG SER A 81 3.780 7.643 -5.989 1.00 0.00 H new ATOM 1276 N LEU A 82 2.009 4.768 -4.812 1.00 0.00 N ATOM 1277 CA LEU A 82 0.698 5.010 -4.140 1.00 0.00 C ATOM 1278 C LEU A 82 0.741 6.344 -3.400 1.00 0.00 C ATOM 1279 O LEU A 82 1.630 6.604 -2.614 1.00 0.00 O ATOM 1280 CB LEU A 82 0.438 3.882 -3.141 1.00 0.00 C ATOM 1281 CG LEU A 82 0.504 2.532 -3.864 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.261 1.405 -2.858 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.562 2.476 -4.973 1.00 0.00 C ATOM 0 H LEU A 82 2.761 4.469 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.098 5.038 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.177 3.914 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.540 4.011 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 82 1.490 2.413 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.307 0.444 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.025 1.440 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.723 1.528 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.508 1.513 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.552 2.599 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.382 3.276 -5.691 1.00 0.00 H new ATOM 1295 N SER A 83 -0.226 7.189 -3.652 1.00 0.00 N ATOM 1296 CA SER A 83 -0.278 8.522 -2.982 1.00 0.00 C ATOM 1297 C SER A 83 -1.402 8.509 -1.949 1.00 0.00 C ATOM 1298 O SER A 83 -2.528 8.165 -2.252 1.00 0.00 O ATOM 1299 CB SER A 83 -0.557 9.597 -4.032 1.00 0.00 C ATOM 1300 OG SER A 83 -0.849 10.827 -3.382 1.00 0.00 O ATOM 0 H SER A 83 -0.991 7.009 -4.302 1.00 0.00 H new ATOM 0 HA SER A 83 0.671 8.735 -2.489 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.307 9.715 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.395 9.298 -4.661 1.00 0.00 H new ATOM 0 HG SER A 83 -1.797 11.044 -3.502 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.101 8.863 -0.724 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.147 8.857 0.344 1.00 0.00 C ATOM 1308 C VAL A 84 -2.603 10.288 0.630 1.00 0.00 C ATOM 1309 O VAL A 84 -1.900 11.069 1.241 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.552 8.238 1.611 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.666 7.955 2.621 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.840 6.928 1.251 1.00 0.00 C ATOM 0 H VAL A 84 -0.174 9.157 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.008 8.274 0.017 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.837 8.933 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.238 7.514 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.170 8.887 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.385 7.262 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.415 6.485 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.555 6.235 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.043 7.132 0.536 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.780 10.633 0.182 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.306 12.009 0.409 1.00 0.00 C ATOM 1324 C GLY A 85 -5.105 12.055 1.714 1.00 0.00 C ATOM 1325 O GLY A 85 -5.253 11.063 2.401 1.00 0.00 O ATOM 0 H GLY A 85 -4.404 10.015 -0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.481 12.720 0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.940 12.307 -0.426 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.626 13.203 2.053 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.426 13.334 3.304 1.00 0.00 C ATOM 1331 C ASP A 86 -7.705 12.499 3.186 1.00 0.00 C ATOM 1332 O ASP A 86 -8.160 11.900 4.139 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.796 14.805 3.500 1.00 0.00 C ATOM 1334 CG ASP A 86 -7.321 15.025 4.919 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -7.011 14.216 5.779 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -8.025 16.000 5.122 1.00 0.00 O ATOM 0 H ASP A 86 -5.531 14.063 1.512 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.843 12.979 4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.924 15.435 3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.553 15.098 2.773 1.00 0.00 H new ATOM 1341 N SER A 87 -8.292 12.469 2.022 1.00 0.00 N ATOM 1342 CA SER A 87 -9.547 11.688 1.826 1.00 0.00 C ATOM 1343 C SER A 87 -9.293 10.206 2.118 1.00 0.00 C ATOM 1344 O SER A 87 -10.144 9.510 2.632 1.00 0.00 O ATOM 1345 CB SER A 87 -10.009 11.844 0.378 1.00 0.00 C ATOM 1346 OG SER A 87 -10.233 13.219 0.100 1.00 0.00 O ATOM 0 H SER A 87 -7.954 12.955 1.192 1.00 0.00 H new ATOM 0 HA SER A 87 -10.314 12.059 2.506 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.257 11.442 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.924 11.275 0.213 1.00 0.00 H new ATOM 0 HG SER A 87 -10.528 13.321 -0.829 1.00 0.00 H new ATOM 1352 N SER A 88 -8.135 9.714 1.774 1.00 0.00 N ATOM 1353 CA SER A 88 -7.835 8.274 2.007 1.00 0.00 C ATOM 1354 C SER A 88 -7.850 7.964 3.503 1.00 0.00 C ATOM 1355 O SER A 88 -7.785 8.851 4.331 1.00 0.00 O ATOM 1356 CB SER A 88 -6.458 7.947 1.438 1.00 0.00 C ATOM 1357 OG SER A 88 -5.469 8.667 2.161 1.00 0.00 O ATOM 0 H SER A 88 -7.382 10.249 1.341 1.00 0.00 H new ATOM 0 HA SER A 88 -8.595 7.670 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.268 6.876 1.507 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.416 8.210 0.381 1.00 0.00 H new ATOM 0 HG SER A 88 -5.619 9.629 2.050 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.941 6.701 3.850 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.971 6.303 5.294 1.00 0.00 C ATOM 1365 C ARG A 89 -6.679 5.567 5.648 1.00 0.00 C ATOM 1366 O ARG A 89 -6.179 4.770 4.879 1.00 0.00 O ATOM 1367 CB ARG A 89 -9.164 5.377 5.530 1.00 0.00 C ATOM 1368 CG ARG A 89 -10.461 6.165 5.336 1.00 0.00 C ATOM 1369 CD ARG A 89 -11.664 5.237 5.535 1.00 0.00 C ATOM 1370 NE ARG A 89 -11.719 4.252 4.419 1.00 0.00 N ATOM 1371 CZ ARG A 89 -12.663 3.348 4.382 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -13.568 3.305 5.323 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -12.703 2.488 3.402 1.00 0.00 N ATOM 0 H ARG A 89 -7.996 5.925 3.191 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.063 7.191 5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.129 4.536 4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.124 4.963 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.505 6.991 6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.487 6.601 4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.582 4.717 6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.585 5.819 5.567 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.017 4.283 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.539 3.978 6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.303 2.599 5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.998 2.521 2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -13.439 1.782 3.372 1.00 0.00 H new ATOM 1387 N ILE A 90 -6.143 5.833 6.814 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.883 5.158 7.255 1.00 0.00 C ATOM 1389 C ILE A 90 -5.133 4.450 8.583 1.00 0.00 C ATOM 1390 O ILE A 90 -5.672 5.024 9.507 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.784 6.203 7.437 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -3.459 6.838 6.082 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -2.532 5.530 8.003 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -2.538 8.042 6.285 1.00 0.00 C ATOM 0 H ILE A 90 -6.529 6.496 7.486 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.573 4.432 6.503 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.123 6.975 8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.979 6.106 5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.378 7.150 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.746 6.274 8.134 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.766 5.077 8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.190 4.759 7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.309 8.492 5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.034 8.777 6.919 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.614 7.717 6.762 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.739 3.204 8.687 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.942 2.440 9.957 1.00 0.00 C ATOM 1408 C GLU A 91 -3.613 1.820 10.388 1.00 0.00 C ATOM 1409 O GLU A 91 -3.117 0.896 9.775 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.978 1.340 9.720 1.00 0.00 C ATOM 1411 CG GLU A 91 -6.232 0.593 11.029 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.350 -0.430 10.825 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -8.047 -0.327 9.829 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -7.493 -1.296 11.671 1.00 0.00 O ATOM 0 H GLU A 91 -4.282 2.680 7.941 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.298 3.107 10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.907 1.773 9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.622 0.648 8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.321 0.091 11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.508 1.297 11.814 1.00 0.00 H new ATOM 1421 N SER A 92 -3.029 2.335 11.434 1.00 0.00 N ATOM 1422 CA SER A 92 -1.728 1.796 11.912 1.00 0.00 C ATOM 1423 C SER A 92 -1.934 0.431 12.572 1.00 0.00 C ATOM 1424 O SER A 92 -2.899 0.212 13.277 1.00 0.00 O ATOM 1425 CB SER A 92 -1.126 2.766 12.929 1.00 0.00 C ATOM 1426 OG SER A 92 0.085 2.224 13.441 1.00 0.00 O ATOM 0 H SER A 92 -3.401 3.111 11.981 1.00 0.00 H new ATOM 0 HA SER A 92 -1.054 1.681 11.063 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.935 3.731 12.459 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.831 2.941 13.742 1.00 0.00 H new ATOM 0 HG SER A 92 0.472 2.846 14.092 1.00 0.00 H new ATOM 1432 N VAL A 93 -1.027 -0.484 12.348 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.145 -1.842 12.961 1.00 0.00 C ATOM 1434 C VAL A 93 -0.177 -1.942 14.141 1.00 0.00 C ATOM 1435 O VAL A 93 -0.552 -2.323 15.229 1.00 0.00 O ATOM 1436 CB VAL A 93 -0.772 -2.893 11.914 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -0.798 -4.284 12.550 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -1.771 -2.840 10.756 1.00 0.00 C ATOM 0 H VAL A 93 -0.203 -0.348 11.762 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.165 -2.009 13.306 1.00 0.00 H new ATOM 0 HB VAL A 93 0.230 -2.687 11.537 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.532 -5.031 11.802 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.082 -4.322 13.371 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.798 -4.492 12.930 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.504 -3.589 10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.774 -3.043 11.131 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.747 -1.850 10.300 1.00 0.00 H new