USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 846 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0116 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 21:sc= 1.34 USER MOD Single : A 5 SER OG : rot 29:sc= 0.296 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc=-0.00899 X(o=-0.009,f=-0.049) USER MOD Single : A 13 HIS : no HE2:sc= -2.52 K(o=-2.5,f=-6.4!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00369 USER MOD Single : A 27 THR OG1 : rot 175:sc= 0.403 USER MOD Single : A 32 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.8!) USER MOD Single : A 34 GLN :FLIP amide:sc= -3.8! C(o=-4.8!,f=-3.8!) USER MOD Single : A 36 SER OG : rot 63:sc= 0.209 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 73:sc= 0.936 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 131:sc= 1.35 USER MOD Single : A 61 CYS SG : rot -18:sc= -1.9 USER MOD Single : A 65 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.7!) USER MOD Single : A 71 MET CE :methyl 176:sc= 0 (180deg=-0.0134) USER MOD Single : A 74 ASN :FLIP amide:sc= 0.224 F(o=-1.4!,f=0.22) USER MOD Single : A 78 THR OG1 : rot 128:sc= -0.46 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0948 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.0833 X(o=-0.083,f=-0.31) USER MOD Single : A 93 SER OG : rot -64:sc= -3.19! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -17:sc= 0.365! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.180 -26.369 15.742 1.00 0.00 N ATOM 2 CA GLY A 1 12.770 -25.071 15.462 1.00 0.00 C ATOM 3 C GLY A 1 14.273 -25.196 15.204 1.00 0.00 C ATOM 4 O GLY A 1 14.964 -25.945 15.892 1.00 0.00 O ATOM 0 H1 GLY A 1 11.397 -26.256 16.417 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.819 -26.784 14.859 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.901 -26.997 16.150 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.284 -24.626 14.593 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.596 -24.400 16.303 1.00 0.00 H new ATOM 8 N SER A 2 14.734 -24.450 14.211 1.00 0.00 N ATOM 9 CA SER A 2 16.142 -24.467 13.854 1.00 0.00 C ATOM 10 C SER A 2 16.536 -23.136 13.211 1.00 0.00 C ATOM 11 O SER A 2 17.425 -22.443 13.704 1.00 0.00 O ATOM 12 CB SER A 2 16.456 -25.627 12.906 1.00 0.00 C ATOM 13 OG SER A 2 17.488 -26.468 13.415 1.00 0.00 O ATOM 0 H SER A 2 14.157 -23.830 13.642 1.00 0.00 H new ATOM 0 HA SER A 2 16.723 -24.609 14.765 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.554 -26.217 12.744 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.756 -25.231 11.936 1.00 0.00 H new ATOM 0 HG SER A 2 17.658 -27.197 12.782 1.00 0.00 H new ATOM 19 N SER A 3 15.855 -22.817 12.120 1.00 0.00 N ATOM 20 CA SER A 3 16.122 -21.581 11.405 1.00 0.00 C ATOM 21 C SER A 3 17.630 -21.394 11.229 1.00 0.00 C ATOM 22 O SER A 3 18.272 -20.713 12.027 1.00 0.00 O ATOM 23 CB SER A 3 15.520 -20.380 12.138 1.00 0.00 C ATOM 24 OG SER A 3 16.083 -20.210 13.436 1.00 0.00 O ATOM 0 H SER A 3 15.118 -23.394 11.714 1.00 0.00 H new ATOM 0 HA SER A 3 15.653 -21.645 10.423 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.685 -19.477 11.550 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.441 -20.512 12.225 1.00 0.00 H new ATOM 0 HG SER A 3 16.947 -20.670 13.481 1.00 0.00 H new ATOM 30 N GLY A 4 18.152 -22.011 10.179 1.00 0.00 N ATOM 31 CA GLY A 4 19.572 -21.921 9.887 1.00 0.00 C ATOM 32 C GLY A 4 20.052 -23.152 9.115 1.00 0.00 C ATOM 33 O GLY A 4 20.399 -24.169 9.713 1.00 0.00 O ATOM 0 H GLY A 4 17.616 -22.576 9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.771 -21.022 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.133 -21.829 10.817 1.00 0.00 H new ATOM 37 N SER A 5 20.057 -23.018 7.796 1.00 0.00 N ATOM 38 CA SER A 5 20.489 -24.106 6.935 1.00 0.00 C ATOM 39 C SER A 5 21.395 -23.567 5.827 1.00 0.00 C ATOM 40 O SER A 5 21.009 -22.662 5.089 1.00 0.00 O ATOM 41 CB SER A 5 19.290 -24.839 6.331 1.00 0.00 C ATOM 42 OG SER A 5 18.578 -24.025 5.404 1.00 0.00 O ATOM 0 H SER A 5 19.769 -22.173 7.303 1.00 0.00 H new ATOM 0 HA SER A 5 21.050 -24.819 7.539 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.633 -25.744 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.617 -25.153 7.129 1.00 0.00 H new ATOM 0 HG SER A 5 19.194 -23.384 4.991 1.00 0.00 H new ATOM 48 N SER A 6 22.584 -24.147 5.744 1.00 0.00 N ATOM 49 CA SER A 6 23.548 -23.737 4.738 1.00 0.00 C ATOM 50 C SER A 6 23.510 -24.702 3.552 1.00 0.00 C ATOM 51 O SER A 6 23.982 -25.834 3.652 1.00 0.00 O ATOM 52 CB SER A 6 24.960 -23.670 5.323 1.00 0.00 C ATOM 53 OG SER A 6 25.147 -22.516 6.138 1.00 0.00 O ATOM 0 H SER A 6 22.901 -24.898 6.357 1.00 0.00 H new ATOM 0 HA SER A 6 23.279 -22.738 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.150 -24.566 5.914 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.688 -23.663 4.512 1.00 0.00 H new ATOM 0 HG SER A 6 26.060 -22.511 6.494 1.00 0.00 H new ATOM 59 N GLY A 7 22.944 -24.221 2.455 1.00 0.00 N ATOM 60 CA GLY A 7 22.838 -25.027 1.251 1.00 0.00 C ATOM 61 C GLY A 7 22.442 -24.168 0.049 1.00 0.00 C ATOM 62 O GLY A 7 22.973 -23.075 -0.139 1.00 0.00 O ATOM 0 H GLY A 7 22.554 -23.282 2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.791 -25.518 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.098 -25.814 1.400 1.00 0.00 H new ATOM 66 N ALA A 8 21.512 -24.695 -0.735 1.00 0.00 N ATOM 67 CA ALA A 8 21.039 -23.990 -1.914 1.00 0.00 C ATOM 68 C ALA A 8 19.619 -23.479 -1.662 1.00 0.00 C ATOM 69 O ALA A 8 19.039 -23.742 -0.610 1.00 0.00 O ATOM 70 CB ALA A 8 21.119 -24.917 -3.129 1.00 0.00 C ATOM 0 H ALA A 8 21.074 -25.602 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 8 21.668 -23.125 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 8 20.764 -24.389 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 8 22.152 -25.228 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 8 20.497 -25.796 -2.958 1.00 0.00 H new ATOM 76 N GLY A 9 19.101 -22.758 -2.645 1.00 0.00 N ATOM 77 CA GLY A 9 17.760 -22.208 -2.543 1.00 0.00 C ATOM 78 C GLY A 9 17.709 -20.781 -3.095 1.00 0.00 C ATOM 79 O GLY A 9 18.068 -19.831 -2.401 1.00 0.00 O ATOM 0 H GLY A 9 19.586 -22.542 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 9 17.061 -22.839 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 9 17.440 -22.210 -1.501 1.00 0.00 H new ATOM 83 N GLN A 10 17.262 -20.677 -4.338 1.00 0.00 N ATOM 84 CA GLN A 10 17.159 -19.383 -4.990 1.00 0.00 C ATOM 85 C GLN A 10 15.778 -18.773 -4.746 1.00 0.00 C ATOM 86 O GLN A 10 14.763 -19.457 -4.868 1.00 0.00 O ATOM 87 CB GLN A 10 17.450 -19.500 -6.488 1.00 0.00 C ATOM 88 CG GLN A 10 16.476 -20.469 -7.161 1.00 0.00 C ATOM 89 CD GLN A 10 17.228 -21.530 -7.967 1.00 0.00 C ATOM 90 OE1 GLN A 10 18.057 -22.264 -7.455 1.00 0.00 O ATOM 91 NE2 GLN A 10 16.894 -21.570 -9.254 1.00 0.00 N ATOM 0 H GLN A 10 16.967 -21.468 -4.911 1.00 0.00 H new ATOM 0 HA GLN A 10 17.908 -18.720 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.373 -18.518 -6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 10 18.473 -19.845 -6.638 1.00 0.00 H new ATOM 0 HG2 GLN A 10 15.857 -20.952 -6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 10 15.804 -19.917 -7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 10 16.192 -20.927 -9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 10 17.340 -22.244 -9.876 1.00 0.00 H new ATOM 100 N VAL A 11 15.783 -17.493 -4.405 1.00 0.00 N ATOM 101 CA VAL A 11 14.543 -16.783 -4.142 1.00 0.00 C ATOM 102 C VAL A 11 14.815 -15.277 -4.129 1.00 0.00 C ATOM 103 O VAL A 11 15.968 -14.851 -4.145 1.00 0.00 O ATOM 104 CB VAL A 11 13.916 -17.289 -2.842 1.00 0.00 C ATOM 105 CG1 VAL A 11 14.769 -16.898 -1.633 1.00 0.00 C ATOM 106 CG2 VAL A 11 12.482 -16.778 -2.689 1.00 0.00 C ATOM 0 H VAL A 11 16.627 -16.929 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 11 13.818 -16.975 -4.933 1.00 0.00 H new ATOM 0 HB VAL A 11 13.880 -18.377 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.301 -17.270 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.763 -17.333 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.851 -15.812 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.060 -17.153 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.484 -15.688 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.879 -17.129 -3.527 1.00 0.00 H new ATOM 116 N VAL A 12 13.733 -14.513 -4.099 1.00 0.00 N ATOM 117 CA VAL A 12 13.840 -13.064 -4.084 1.00 0.00 C ATOM 118 C VAL A 12 13.365 -12.537 -2.728 1.00 0.00 C ATOM 119 O VAL A 12 12.701 -13.251 -1.978 1.00 0.00 O ATOM 120 CB VAL A 12 13.066 -12.469 -5.261 1.00 0.00 C ATOM 121 CG1 VAL A 12 11.630 -12.130 -4.858 1.00 0.00 C ATOM 122 CG2 VAL A 12 13.783 -11.240 -5.824 1.00 0.00 C ATOM 0 H VAL A 12 12.778 -14.870 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 12 14.878 -12.756 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 12 13.024 -13.221 -6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.102 -11.709 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.121 -13.036 -4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.642 -11.404 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.211 -10.836 -6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.872 -10.482 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.777 -11.525 -6.168 1.00 0.00 H new ATOM 132 N HIS A 13 13.725 -11.291 -2.455 1.00 0.00 N ATOM 133 CA HIS A 13 13.343 -10.660 -1.203 1.00 0.00 C ATOM 134 C HIS A 13 12.387 -9.499 -1.484 1.00 0.00 C ATOM 135 O HIS A 13 12.268 -9.050 -2.623 1.00 0.00 O ATOM 136 CB HIS A 13 14.581 -10.230 -0.412 1.00 0.00 C ATOM 137 CG HIS A 13 15.405 -9.164 -1.093 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.462 -9.458 -1.937 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.316 -7.804 -1.046 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.979 -8.318 -2.372 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.268 -7.294 -1.818 1.00 0.00 N ATOM 0 H HIS A 13 14.277 -10.702 -3.079 1.00 0.00 H new ATOM 0 HA HIS A 13 12.813 -11.378 -0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.266 -9.863 0.565 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.209 -11.103 -0.237 1.00 0.00 H new ATOM 0 HD1 HIS A 13 16.788 -10.393 -2.182 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.593 -7.238 -0.477 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.816 -8.217 -3.047 1.00 0.00 H new ATOM 149 N THR A 14 11.730 -9.046 -0.426 1.00 0.00 N ATOM 150 CA THR A 14 10.788 -7.946 -0.545 1.00 0.00 C ATOM 151 C THR A 14 11.130 -6.841 0.456 1.00 0.00 C ATOM 152 O THR A 14 11.480 -7.122 1.602 1.00 0.00 O ATOM 153 CB THR A 14 9.377 -8.511 -0.368 1.00 0.00 C ATOM 154 OG1 THR A 14 9.546 -9.586 0.551 1.00 0.00 O ATOM 155 CG2 THR A 14 8.853 -9.185 -1.638 1.00 0.00 C ATOM 0 H THR A 14 11.831 -9.421 0.517 1.00 0.00 H new ATOM 0 HA THR A 14 10.846 -7.480 -1.529 1.00 0.00 H new ATOM 0 HB THR A 14 8.699 -7.709 -0.076 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.679 -10.008 0.724 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.849 -9.569 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.824 -8.459 -2.450 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.512 -10.009 -1.911 1.00 0.00 H new ATOM 163 N GLU A 15 11.017 -5.607 -0.012 1.00 0.00 N ATOM 164 CA GLU A 15 11.310 -4.458 0.828 1.00 0.00 C ATOM 165 C GLU A 15 10.054 -3.607 1.021 1.00 0.00 C ATOM 166 O GLU A 15 9.071 -3.772 0.299 1.00 0.00 O ATOM 167 CB GLU A 15 12.451 -3.625 0.240 1.00 0.00 C ATOM 168 CG GLU A 15 13.733 -3.797 1.058 1.00 0.00 C ATOM 169 CD GLU A 15 13.684 -2.959 2.337 1.00 0.00 C ATOM 170 OE1 GLU A 15 13.060 -3.440 3.307 1.00 0.00 O ATOM 171 OE2 GLU A 15 14.272 -1.856 2.315 1.00 0.00 O ATOM 0 H GLU A 15 10.726 -5.377 -0.962 1.00 0.00 H new ATOM 0 HA GLU A 15 11.634 -4.820 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.631 -3.925 -0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.166 -2.573 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.868 -4.848 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.594 -3.501 0.458 1.00 0.00 H new ATOM 178 N THR A 16 10.125 -2.715 1.998 1.00 0.00 N ATOM 179 CA THR A 16 9.006 -1.838 2.294 1.00 0.00 C ATOM 180 C THR A 16 9.372 -0.384 1.990 1.00 0.00 C ATOM 181 O THR A 16 10.525 0.015 2.144 1.00 0.00 O ATOM 182 CB THR A 16 8.596 -2.069 3.750 1.00 0.00 C ATOM 183 OG1 THR A 16 9.759 -2.630 4.353 1.00 0.00 O ATOM 184 CG2 THR A 16 7.537 -3.164 3.894 1.00 0.00 C ATOM 0 H THR A 16 10.941 -2.581 2.595 1.00 0.00 H new ATOM 0 HA THR A 16 8.149 -2.064 1.660 1.00 0.00 H new ATOM 0 HB THR A 16 8.216 -1.139 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.582 -2.810 5.300 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.282 -3.287 4.947 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.645 -2.883 3.335 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.929 -4.103 3.503 1.00 0.00 H new ATOM 192 N THR A 17 8.368 0.369 1.563 1.00 0.00 N ATOM 193 CA THR A 17 8.570 1.770 1.235 1.00 0.00 C ATOM 194 C THR A 17 7.549 2.641 1.968 1.00 0.00 C ATOM 195 O THR A 17 6.434 2.200 2.242 1.00 0.00 O ATOM 196 CB THR A 17 8.511 1.913 -0.287 1.00 0.00 C ATOM 197 OG1 THR A 17 8.700 3.307 -0.512 1.00 0.00 O ATOM 198 CG2 THR A 17 7.116 1.630 -0.848 1.00 0.00 C ATOM 0 H THR A 17 7.413 0.035 1.437 1.00 0.00 H new ATOM 0 HA THR A 17 9.547 2.118 1.570 1.00 0.00 H new ATOM 0 HB THR A 17 9.230 1.233 -0.744 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.678 3.489 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.129 1.745 -1.932 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.822 0.611 -0.595 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.401 2.331 -0.417 1.00 0.00 H new ATOM 206 N GLU A 18 7.965 3.864 2.263 1.00 0.00 N ATOM 207 CA GLU A 18 7.100 4.802 2.959 1.00 0.00 C ATOM 208 C GLU A 18 6.738 5.971 2.041 1.00 0.00 C ATOM 209 O GLU A 18 7.619 6.668 1.541 1.00 0.00 O ATOM 210 CB GLU A 18 7.755 5.299 4.248 1.00 0.00 C ATOM 211 CG GLU A 18 7.038 6.541 4.784 1.00 0.00 C ATOM 212 CD GLU A 18 7.842 7.809 4.487 1.00 0.00 C ATOM 213 OE1 GLU A 18 8.616 7.773 3.507 1.00 0.00 O ATOM 214 OE2 GLU A 18 7.663 8.784 5.247 1.00 0.00 O ATOM 0 H GLU A 18 8.890 4.227 2.033 1.00 0.00 H new ATOM 0 HA GLU A 18 6.181 4.284 3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.733 4.509 4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.803 5.532 4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.049 6.618 4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.889 6.444 5.859 1.00 0.00 H new ATOM 221 N VAL A 19 5.439 6.150 1.847 1.00 0.00 N ATOM 222 CA VAL A 19 4.950 7.222 0.998 1.00 0.00 C ATOM 223 C VAL A 19 4.554 8.416 1.869 1.00 0.00 C ATOM 224 O VAL A 19 4.127 8.242 3.010 1.00 0.00 O ATOM 225 CB VAL A 19 3.803 6.715 0.122 1.00 0.00 C ATOM 226 CG1 VAL A 19 2.528 6.523 0.945 1.00 0.00 C ATOM 227 CG2 VAL A 19 3.558 7.656 -1.059 1.00 0.00 C ATOM 0 H VAL A 19 4.711 5.570 2.264 1.00 0.00 H new ATOM 0 HA VAL A 19 5.734 7.559 0.320 1.00 0.00 H new ATOM 0 HB VAL A 19 4.092 5.743 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.728 6.162 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.711 5.795 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.234 7.474 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.738 7.272 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.301 8.648 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.460 7.719 -1.667 1.00 0.00 H new ATOM 237 N VAL A 20 4.709 9.602 1.298 1.00 0.00 N ATOM 238 CA VAL A 20 4.372 10.824 2.009 1.00 0.00 C ATOM 239 C VAL A 20 3.400 11.649 1.163 1.00 0.00 C ATOM 240 O VAL A 20 3.812 12.335 0.230 1.00 0.00 O ATOM 241 CB VAL A 20 5.648 11.588 2.370 1.00 0.00 C ATOM 242 CG1 VAL A 20 6.251 12.260 1.135 1.00 0.00 C ATOM 243 CG2 VAL A 20 5.380 12.610 3.476 1.00 0.00 C ATOM 0 H VAL A 20 5.063 9.743 0.352 1.00 0.00 H new ATOM 0 HA VAL A 20 3.870 10.594 2.949 1.00 0.00 H new ATOM 0 HB VAL A 20 6.375 10.869 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.157 12.796 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.496 11.502 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.531 12.961 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.303 13.139 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.629 13.324 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.017 12.096 4.366 1.00 0.00 H new ATOM 253 N LEU A 21 2.128 11.555 1.521 1.00 0.00 N ATOM 254 CA LEU A 21 1.094 12.284 0.806 1.00 0.00 C ATOM 255 C LEU A 21 0.663 13.494 1.637 1.00 0.00 C ATOM 256 O LEU A 21 0.419 13.373 2.837 1.00 0.00 O ATOM 257 CB LEU A 21 -0.060 11.351 0.434 1.00 0.00 C ATOM 258 CG LEU A 21 0.324 10.077 -0.321 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.846 9.092 -0.366 1.00 0.00 C ATOM 260 CD2 LEU A 21 0.851 10.406 -1.719 1.00 0.00 C ATOM 0 H LEU A 21 1.790 10.985 2.297 1.00 0.00 H new ATOM 0 HA LEU A 21 1.481 12.666 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.579 11.065 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.771 11.910 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 21 1.134 9.589 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.546 8.195 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.134 8.822 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.693 9.556 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.117 9.483 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.080 10.928 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.733 11.041 -1.635 1.00 0.00 H new ATOM 272 N THR A 22 0.582 14.634 0.966 1.00 0.00 N ATOM 273 CA THR A 22 0.185 15.865 1.628 1.00 0.00 C ATOM 274 C THR A 22 -1.290 16.166 1.353 1.00 0.00 C ATOM 275 O THR A 22 -1.659 16.510 0.231 1.00 0.00 O ATOM 276 CB THR A 22 1.128 16.977 1.164 1.00 0.00 C ATOM 277 OG1 THR A 22 2.410 16.354 1.132 1.00 0.00 O ATOM 278 CG2 THR A 22 1.280 18.088 2.205 1.00 0.00 C ATOM 0 H THR A 22 0.785 14.731 -0.029 1.00 0.00 H new ATOM 0 HA THR A 22 0.271 15.777 2.711 1.00 0.00 H new ATOM 0 HB THR A 22 0.757 17.402 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.082 17.004 0.839 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.959 18.851 1.826 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.306 18.535 2.404 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.683 17.670 3.127 1.00 0.00 H new ATOM 286 N ALA A 23 -2.094 16.026 2.397 1.00 0.00 N ATOM 287 CA ALA A 23 -3.520 16.279 2.282 1.00 0.00 C ATOM 288 C ALA A 23 -3.745 17.539 1.443 1.00 0.00 C ATOM 289 O ALA A 23 -3.627 18.654 1.948 1.00 0.00 O ATOM 290 CB ALA A 23 -4.133 16.393 3.680 1.00 0.00 C ATOM 0 H ALA A 23 -1.785 15.741 3.326 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.016 15.452 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.203 16.583 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.972 15.463 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.661 17.215 4.218 1.00 0.00 H new ATOM 296 N ASP A 24 -4.064 17.318 0.177 1.00 0.00 N ATOM 297 CA ASP A 24 -4.306 18.421 -0.737 1.00 0.00 C ATOM 298 C ASP A 24 -5.372 19.345 -0.144 1.00 0.00 C ATOM 299 O ASP A 24 -5.996 19.012 0.862 1.00 0.00 O ATOM 300 CB ASP A 24 -4.818 17.916 -2.088 1.00 0.00 C ATOM 301 CG ASP A 24 -3.956 18.304 -3.292 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.881 18.893 -3.053 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.394 18.001 -4.423 1.00 0.00 O ATOM 0 H ASP A 24 -4.161 16.391 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.364 18.950 -0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.892 16.829 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.827 18.299 -2.244 1.00 0.00 H new ATOM 308 N PRO A 25 -5.552 20.517 -0.810 1.00 0.00 N ATOM 309 CA PRO A 25 -6.531 21.491 -0.359 1.00 0.00 C ATOM 310 C PRO A 25 -7.952 21.039 -0.701 1.00 0.00 C ATOM 311 O PRO A 25 -8.924 21.585 -0.180 1.00 0.00 O ATOM 312 CB PRO A 25 -6.140 22.789 -1.045 1.00 0.00 C ATOM 313 CG PRO A 25 -5.246 22.392 -2.209 1.00 0.00 C ATOM 314 CD PRO A 25 -4.831 20.945 -2.005 1.00 0.00 C ATOM 0 HA PRO A 25 -6.534 21.614 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.021 23.327 -1.395 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.615 23.452 -0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.776 22.507 -3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.369 23.038 -2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.095 20.332 -2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.753 20.858 -1.869 1.00 0.00 H new ATOM 322 N VAL A 26 -8.029 20.045 -1.574 1.00 0.00 N ATOM 323 CA VAL A 26 -9.315 19.513 -1.992 1.00 0.00 C ATOM 324 C VAL A 26 -9.300 17.989 -1.854 1.00 0.00 C ATOM 325 O VAL A 26 -10.109 17.421 -1.122 1.00 0.00 O ATOM 326 CB VAL A 26 -9.639 19.982 -3.412 1.00 0.00 C ATOM 327 CG1 VAL A 26 -10.721 19.106 -4.045 1.00 0.00 C ATOM 328 CG2 VAL A 26 -10.050 21.456 -3.422 1.00 0.00 C ATOM 0 H VAL A 26 -7.221 19.594 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.111 19.890 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.735 19.883 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.932 19.461 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.374 18.074 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.629 19.158 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.275 21.764 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.934 21.591 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.234 22.064 -3.031 1.00 0.00 H new ATOM 338 N THR A 27 -8.372 17.371 -2.570 1.00 0.00 N ATOM 339 CA THR A 27 -8.242 15.924 -2.537 1.00 0.00 C ATOM 340 C THR A 27 -7.133 15.511 -1.568 1.00 0.00 C ATOM 341 O THR A 27 -6.092 15.008 -1.987 1.00 0.00 O ATOM 342 CB THR A 27 -8.010 15.438 -3.969 1.00 0.00 C ATOM 343 OG1 THR A 27 -6.961 16.272 -4.453 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.190 15.749 -4.892 1.00 0.00 C ATOM 0 H THR A 27 -7.703 17.846 -3.176 1.00 0.00 H new ATOM 0 HA THR A 27 -9.151 15.453 -2.162 1.00 0.00 H new ATOM 0 HB THR A 27 -7.829 14.363 -3.962 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.685 15.968 -5.343 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.973 15.383 -5.896 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.087 15.259 -4.513 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.351 16.826 -4.926 1.00 0.00 H new ATOM 352 N GLY A 28 -7.394 15.738 -0.289 1.00 0.00 N ATOM 353 CA GLY A 28 -6.431 15.396 0.744 1.00 0.00 C ATOM 354 C GLY A 28 -5.454 14.327 0.250 1.00 0.00 C ATOM 355 O GLY A 28 -4.386 14.650 -0.269 1.00 0.00 O ATOM 0 H GLY A 28 -8.259 16.155 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.880 16.288 1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.955 15.034 1.629 1.00 0.00 H new ATOM 359 N PHE A 29 -5.854 13.077 0.427 1.00 0.00 N ATOM 360 CA PHE A 29 -5.027 11.959 0.006 1.00 0.00 C ATOM 361 C PHE A 29 -5.701 11.171 -1.119 1.00 0.00 C ATOM 362 O PHE A 29 -5.026 10.540 -1.930 1.00 0.00 O ATOM 363 CB PHE A 29 -4.856 11.046 1.221 1.00 0.00 C ATOM 364 CG PHE A 29 -4.460 11.782 2.502 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.283 12.460 2.562 1.00 0.00 C ATOM 366 CD2 PHE A 29 -5.287 11.759 3.583 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.916 13.144 3.751 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.920 12.443 4.772 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.742 13.121 4.831 1.00 0.00 C ATOM 0 H PHE A 29 -6.741 12.813 0.857 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.070 12.324 -0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.790 10.512 1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.097 10.297 0.995 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.627 12.478 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.222 11.221 3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.981 13.682 3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.576 12.425 5.630 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.463 13.641 5.736 1.00 0.00 H new ATOM 379 N GLY A 30 -7.025 11.235 -1.131 1.00 0.00 N ATOM 380 CA GLY A 30 -7.798 10.535 -2.143 1.00 0.00 C ATOM 381 C GLY A 30 -7.373 9.068 -2.240 1.00 0.00 C ATOM 382 O GLY A 30 -6.937 8.614 -3.297 1.00 0.00 O ATOM 0 H GLY A 30 -7.581 11.760 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.859 10.595 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.663 11.021 -3.109 1.00 0.00 H new ATOM 386 N ILE A 31 -7.517 8.368 -1.124 1.00 0.00 N ATOM 387 CA ILE A 31 -7.154 6.963 -1.071 1.00 0.00 C ATOM 388 C ILE A 31 -8.316 6.162 -0.481 1.00 0.00 C ATOM 389 O ILE A 31 -9.035 6.653 0.388 1.00 0.00 O ATOM 390 CB ILE A 31 -5.835 6.778 -0.317 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.787 7.788 -0.790 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.335 5.337 -0.431 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.448 7.558 -0.087 1.00 0.00 C ATOM 0 H ILE A 31 -7.880 8.748 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.978 6.578 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.016 6.973 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.655 7.702 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.137 8.801 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.397 5.233 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.077 4.660 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.175 5.089 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.721 8.289 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.579 7.668 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.089 6.553 -0.308 1.00 0.00 H new ATOM 405 N GLN A 32 -8.465 4.943 -0.978 1.00 0.00 N ATOM 406 CA GLN A 32 -9.529 4.069 -0.511 1.00 0.00 C ATOM 407 C GLN A 32 -8.970 2.684 -0.178 1.00 0.00 C ATOM 408 O GLN A 32 -8.113 2.168 -0.894 1.00 0.00 O ATOM 409 CB GLN A 32 -10.653 3.973 -1.545 1.00 0.00 C ATOM 410 CG GLN A 32 -11.738 5.016 -1.273 1.00 0.00 C ATOM 411 CD GLN A 32 -13.076 4.346 -0.956 1.00 0.00 C ATOM 412 OE1 GLN A 32 -13.279 3.165 -1.188 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.976 5.162 -0.414 1.00 0.00 N ATOM 0 H GLN A 32 -7.867 4.539 -1.699 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.952 4.497 0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.245 4.119 -2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.089 2.974 -1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.438 5.649 -0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.849 5.665 -2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.742 6.140 -0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.900 4.809 -0.166 1.00 0.00 H new ATOM 422 N LEU A 33 -9.479 2.122 0.909 1.00 0.00 N ATOM 423 CA LEU A 33 -9.041 0.807 1.345 1.00 0.00 C ATOM 424 C LEU A 33 -10.107 -0.228 0.979 1.00 0.00 C ATOM 425 O LEU A 33 -11.253 0.126 0.705 1.00 0.00 O ATOM 426 CB LEU A 33 -8.689 0.827 2.834 1.00 0.00 C ATOM 427 CG LEU A 33 -7.737 1.936 3.284 1.00 0.00 C ATOM 428 CD1 LEU A 33 -6.419 1.876 2.508 1.00 0.00 C ATOM 429 CD2 LEU A 33 -8.403 3.309 3.175 1.00 0.00 C ATOM 0 H LEU A 33 -10.190 2.553 1.500 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.126 0.519 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.614 0.916 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.245 -0.134 3.095 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.500 1.776 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.760 2.675 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.939 0.913 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.618 1.997 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.704 4.079 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.689 3.493 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.291 3.334 3.807 1.00 0.00 H new ATOM 441 N GLN A 34 -9.691 -1.486 0.985 1.00 0.00 N ATOM 442 CA GLN A 34 -10.596 -2.574 0.657 1.00 0.00 C ATOM 443 C GLN A 34 -10.852 -3.442 1.891 1.00 0.00 C ATOM 444 O GLN A 34 -9.957 -3.643 2.709 1.00 0.00 O ATOM 445 CB GLN A 34 -10.047 -3.413 -0.499 1.00 0.00 C ATOM 446 CG GLN A 34 -8.729 -4.086 -0.111 1.00 0.00 C ATOM 447 CD GLN A 34 -8.852 -5.610 -0.176 1.00 0.00 C ATOM 448 OE1 GLN A 34 -8.964 -6.091 -1.411 1.00 0.00 O flip ATOM 449 NE2 GLN A 34 -8.844 -6.303 0.828 1.00 0.00 N flip ATOM 0 H GLN A 34 -8.740 -1.776 1.212 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.545 -2.147 0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.777 -4.171 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.892 -2.779 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.936 -3.753 -0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.445 -3.783 0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.755 -5.869 1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.926 -7.317 0.749 1.00 0.00 H new ATOM 458 N GLY A 35 -12.079 -3.933 1.985 1.00 0.00 N ATOM 459 CA GLY A 35 -12.465 -4.774 3.105 1.00 0.00 C ATOM 460 C GLY A 35 -13.327 -5.948 2.637 1.00 0.00 C ATOM 461 O GLY A 35 -13.117 -6.483 1.550 1.00 0.00 O ATOM 0 H GLY A 35 -12.819 -3.764 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.573 -5.150 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.016 -4.182 3.836 1.00 0.00 H new ATOM 465 N SER A 36 -14.280 -6.315 3.482 1.00 0.00 N ATOM 466 CA SER A 36 -15.174 -7.416 3.169 1.00 0.00 C ATOM 467 C SER A 36 -16.163 -7.630 4.317 1.00 0.00 C ATOM 468 O SER A 36 -15.996 -7.066 5.398 1.00 0.00 O ATOM 469 CB SER A 36 -14.391 -8.702 2.897 1.00 0.00 C ATOM 470 OG SER A 36 -14.425 -9.066 1.520 1.00 0.00 O ATOM 0 H SER A 36 -14.452 -5.869 4.383 1.00 0.00 H new ATOM 0 HA SER A 36 -15.726 -7.161 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.356 -8.570 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.805 -9.512 3.497 1.00 0.00 H new ATOM 0 HG SER A 36 -13.995 -8.366 0.986 1.00 0.00 H new ATOM 476 N VAL A 37 -17.171 -8.445 4.044 1.00 0.00 N ATOM 477 CA VAL A 37 -18.187 -8.739 5.040 1.00 0.00 C ATOM 478 C VAL A 37 -17.826 -10.041 5.760 1.00 0.00 C ATOM 479 O VAL A 37 -18.037 -10.166 6.965 1.00 0.00 O ATOM 480 CB VAL A 37 -19.568 -8.783 4.383 1.00 0.00 C ATOM 481 CG1 VAL A 37 -19.848 -7.492 3.610 1.00 0.00 C ATOM 482 CG2 VAL A 37 -19.705 -10.006 3.475 1.00 0.00 C ATOM 0 H VAL A 37 -17.306 -8.911 3.147 1.00 0.00 H new ATOM 0 HA VAL A 37 -18.225 -7.950 5.791 1.00 0.00 H new ATOM 0 HB VAL A 37 -20.313 -8.869 5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -20.836 -7.549 3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -19.813 -6.644 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -19.095 -7.363 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -20.696 -10.013 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -18.947 -9.965 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -19.570 -10.913 4.064 1.00 0.00 H new ATOM 492 N PHE A 38 -17.289 -10.976 4.991 1.00 0.00 N ATOM 493 CA PHE A 38 -16.897 -12.263 5.540 1.00 0.00 C ATOM 494 C PHE A 38 -15.458 -12.222 6.060 1.00 0.00 C ATOM 495 O PHE A 38 -14.605 -11.550 5.482 1.00 0.00 O ATOM 496 CB PHE A 38 -16.987 -13.281 4.402 1.00 0.00 C ATOM 497 CG PHE A 38 -18.313 -14.042 4.351 1.00 0.00 C ATOM 498 CD1 PHE A 38 -18.723 -14.767 5.426 1.00 0.00 C ATOM 499 CD2 PHE A 38 -19.082 -13.994 3.230 1.00 0.00 C ATOM 500 CE1 PHE A 38 -19.954 -15.473 5.379 1.00 0.00 C ATOM 501 CE2 PHE A 38 -20.313 -14.700 3.183 1.00 0.00 C ATOM 502 CZ PHE A 38 -20.723 -15.425 4.258 1.00 0.00 C ATOM 0 H PHE A 38 -17.116 -10.868 3.992 1.00 0.00 H new ATOM 0 HA PHE A 38 -17.549 -12.526 6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -16.840 -12.764 3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.172 -13.998 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.112 -14.806 6.316 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -18.756 -13.419 2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -20.280 -16.048 6.233 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -20.924 -14.661 2.293 1.00 0.00 H new ATOM 0 HZ PHE A 38 -21.659 -15.963 4.222 1.00 0.00 H new ATOM 512 N ALA A 39 -15.234 -12.949 7.144 1.00 0.00 N ATOM 513 CA ALA A 39 -13.914 -13.005 7.748 1.00 0.00 C ATOM 514 C ALA A 39 -13.931 -13.998 8.912 1.00 0.00 C ATOM 515 O ALA A 39 -14.821 -14.843 8.998 1.00 0.00 O ATOM 516 CB ALA A 39 -13.493 -11.601 8.186 1.00 0.00 C ATOM 0 H ALA A 39 -15.945 -13.505 7.620 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.177 -13.356 7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.503 -11.643 8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.467 -10.942 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.209 -11.217 8.913 1.00 0.00 H new ATOM 522 N THR A 40 -12.938 -13.863 9.778 1.00 0.00 N ATOM 523 CA THR A 40 -12.828 -14.737 10.933 1.00 0.00 C ATOM 524 C THR A 40 -12.600 -13.917 12.204 1.00 0.00 C ATOM 525 O THR A 40 -13.537 -13.659 12.958 1.00 0.00 O ATOM 526 CB THR A 40 -11.716 -15.750 10.655 1.00 0.00 C ATOM 527 OG1 THR A 40 -12.345 -16.747 9.855 1.00 0.00 O ATOM 528 CG2 THR A 40 -11.281 -16.503 11.915 1.00 0.00 C ATOM 0 H THR A 40 -12.202 -13.161 9.703 1.00 0.00 H new ATOM 0 HA THR A 40 -13.754 -15.287 11.102 1.00 0.00 H new ATOM 0 HB THR A 40 -10.857 -15.236 10.224 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.694 -17.443 9.628 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.490 -17.209 11.662 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.910 -15.792 12.654 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.132 -17.044 12.328 1.00 0.00 H new ATOM 536 N GLU A 41 -11.348 -13.529 12.403 1.00 0.00 N ATOM 537 CA GLU A 41 -10.984 -12.743 13.569 1.00 0.00 C ATOM 538 C GLU A 41 -10.588 -11.326 13.151 1.00 0.00 C ATOM 539 O GLU A 41 -10.745 -10.380 13.922 1.00 0.00 O ATOM 540 CB GLU A 41 -9.859 -13.418 14.356 1.00 0.00 C ATOM 541 CG GLU A 41 -8.623 -13.624 13.478 1.00 0.00 C ATOM 542 CD GLU A 41 -8.543 -15.067 12.974 1.00 0.00 C ATOM 543 OE1 GLU A 41 -8.621 -15.972 13.832 1.00 0.00 O ATOM 544 OE2 GLU A 41 -8.406 -15.231 11.743 1.00 0.00 O ATOM 0 H GLU A 41 -10.573 -13.745 11.776 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.852 -12.678 14.225 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.598 -12.807 15.220 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.203 -14.379 14.737 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.657 -12.940 12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.725 -13.383 14.046 1.00 0.00 H new ATOM 551 N THR A 42 -10.080 -11.223 11.932 1.00 0.00 N ATOM 552 CA THR A 42 -9.660 -9.937 11.402 1.00 0.00 C ATOM 553 C THR A 42 -10.270 -9.704 10.019 1.00 0.00 C ATOM 554 O THR A 42 -11.463 -9.927 9.817 1.00 0.00 O ATOM 555 CB THR A 42 -8.130 -9.901 11.405 1.00 0.00 C ATOM 556 OG1 THR A 42 -7.757 -10.961 10.529 1.00 0.00 O ATOM 557 CG2 THR A 42 -7.538 -10.309 12.756 1.00 0.00 C ATOM 0 H THR A 42 -9.950 -12.009 11.296 1.00 0.00 H new ATOM 0 HA THR A 42 -10.020 -9.117 12.023 1.00 0.00 H new ATOM 0 HB THR A 42 -7.790 -8.898 11.147 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.780 -11.009 10.471 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.450 -10.267 12.704 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.891 -9.627 13.529 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.850 -11.325 12.998 1.00 0.00 H new ATOM 565 N LEU A 43 -9.424 -9.259 9.101 1.00 0.00 N ATOM 566 CA LEU A 43 -9.866 -8.994 7.742 1.00 0.00 C ATOM 567 C LEU A 43 -9.333 -10.088 6.815 1.00 0.00 C ATOM 568 O LEU A 43 -9.463 -9.991 5.596 1.00 0.00 O ATOM 569 CB LEU A 43 -9.468 -7.579 7.316 1.00 0.00 C ATOM 570 CG LEU A 43 -9.568 -7.276 5.820 1.00 0.00 C ATOM 571 CD1 LEU A 43 -10.955 -7.633 5.280 1.00 0.00 C ATOM 572 CD2 LEU A 43 -9.196 -5.821 5.529 1.00 0.00 C ATOM 0 H LEU A 43 -8.435 -9.075 9.272 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.954 -9.026 7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.097 -6.869 7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.441 -7.400 7.635 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.847 -7.903 5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.000 -7.408 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.143 -8.695 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.711 -7.050 5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.275 -5.632 4.458 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.874 -5.158 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.173 -5.635 5.855 1.00 0.00 H new ATOM 584 N SER A 44 -8.746 -11.105 7.428 1.00 0.00 N ATOM 585 CA SER A 44 -8.193 -12.216 6.673 1.00 0.00 C ATOM 586 C SER A 44 -7.529 -11.702 5.395 1.00 0.00 C ATOM 587 O SER A 44 -7.622 -12.335 4.344 1.00 0.00 O ATOM 588 CB SER A 44 -9.275 -13.243 6.333 1.00 0.00 C ATOM 589 OG SER A 44 -9.337 -14.292 7.295 1.00 0.00 O ATOM 0 H SER A 44 -8.641 -11.183 8.440 1.00 0.00 H new ATOM 0 HA SER A 44 -7.443 -12.709 7.291 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.243 -12.745 6.277 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.077 -13.666 5.348 1.00 0.00 H new ATOM 0 HG SER A 44 -10.041 -14.926 7.043 1.00 0.00 H new ATOM 595 N SER A 45 -6.873 -10.558 5.526 1.00 0.00 N ATOM 596 CA SER A 45 -6.194 -9.951 4.394 1.00 0.00 C ATOM 597 C SER A 45 -5.894 -8.480 4.691 1.00 0.00 C ATOM 598 O SER A 45 -6.647 -7.822 5.407 1.00 0.00 O ATOM 599 CB SER A 45 -7.030 -10.075 3.118 1.00 0.00 C ATOM 600 OG SER A 45 -6.592 -11.154 2.296 1.00 0.00 O ATOM 0 H SER A 45 -6.797 -10.036 6.399 1.00 0.00 H new ATOM 0 HA SER A 45 -5.256 -10.482 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.077 -10.223 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.972 -9.144 2.555 1.00 0.00 H new ATOM 0 HG SER A 45 -6.858 -12.005 2.704 1.00 0.00 H new ATOM 606 N PRO A 46 -4.764 -7.995 4.110 1.00 0.00 N ATOM 607 CA PRO A 46 -4.356 -6.614 4.305 1.00 0.00 C ATOM 608 C PRO A 46 -5.228 -5.663 3.483 1.00 0.00 C ATOM 609 O PRO A 46 -5.797 -6.059 2.467 1.00 0.00 O ATOM 610 CB PRO A 46 -2.891 -6.576 3.901 1.00 0.00 C ATOM 611 CG PRO A 46 -2.659 -7.820 3.058 1.00 0.00 C ATOM 612 CD PRO A 46 -3.849 -8.745 3.255 1.00 0.00 C ATOM 0 HA PRO A 46 -4.480 -6.280 5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.665 -5.673 3.334 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.244 -6.572 4.778 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.552 -7.554 2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.736 -8.317 3.356 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.315 -8.999 2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.549 -9.683 3.723 1.00 0.00 H new ATOM 620 N PRO A 47 -5.308 -4.394 3.966 1.00 0.00 N ATOM 621 CA PRO A 47 -6.101 -3.384 3.287 1.00 0.00 C ATOM 622 C PRO A 47 -5.397 -2.894 2.020 1.00 0.00 C ATOM 623 O PRO A 47 -4.522 -2.032 2.085 1.00 0.00 O ATOM 624 CB PRO A 47 -6.302 -2.284 4.317 1.00 0.00 C ATOM 625 CG PRO A 47 -5.232 -2.502 5.374 1.00 0.00 C ATOM 626 CD PRO A 47 -4.647 -3.890 5.166 1.00 0.00 C ATOM 0 HA PRO A 47 -7.060 -3.767 2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.205 -1.299 3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.299 -2.336 4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.454 -1.743 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.659 -2.413 6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.566 -3.849 5.035 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.840 -4.534 6.024 1.00 0.00 H new ATOM 634 N LEU A 48 -5.804 -3.466 0.896 1.00 0.00 N ATOM 635 CA LEU A 48 -5.224 -3.099 -0.384 1.00 0.00 C ATOM 636 C LEU A 48 -5.890 -1.819 -0.893 1.00 0.00 C ATOM 637 O LEU A 48 -7.104 -1.658 -0.777 1.00 0.00 O ATOM 638 CB LEU A 48 -5.309 -4.269 -1.366 1.00 0.00 C ATOM 639 CG LEU A 48 -5.026 -5.655 -0.785 1.00 0.00 C ATOM 640 CD1 LEU A 48 -5.946 -6.708 -1.405 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.549 -6.023 -0.939 1.00 0.00 C ATOM 0 H LEU A 48 -6.529 -4.182 0.846 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.161 -2.883 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.307 -4.278 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.606 -4.087 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.242 -5.628 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.724 -7.684 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.985 -6.449 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.786 -6.742 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.375 -7.013 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.283 -6.027 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.935 -5.292 -0.413 1.00 0.00 H new ATOM 653 N ILE A 49 -5.066 -0.940 -1.444 1.00 0.00 N ATOM 654 CA ILE A 49 -5.559 0.321 -1.971 1.00 0.00 C ATOM 655 C ILE A 49 -6.747 0.052 -2.897 1.00 0.00 C ATOM 656 O ILE A 49 -6.564 -0.212 -4.085 1.00 0.00 O ATOM 657 CB ILE A 49 -4.426 1.105 -2.636 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.468 1.677 -1.589 1.00 0.00 C ATOM 659 CG2 ILE A 49 -4.979 2.190 -3.561 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.317 2.435 -2.255 1.00 0.00 C ATOM 0 H ILE A 49 -4.059 -1.076 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.921 0.956 -1.162 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.852 0.417 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.011 2.346 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.069 0.869 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.153 2.732 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.588 1.729 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.591 2.883 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.651 2.831 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.762 1.757 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.718 3.257 -2.848 1.00 0.00 H new ATOM 672 N SER A 50 -7.937 0.128 -2.320 1.00 0.00 N ATOM 673 CA SER A 50 -9.153 -0.104 -3.079 1.00 0.00 C ATOM 674 C SER A 50 -9.158 0.764 -4.338 1.00 0.00 C ATOM 675 O SER A 50 -9.362 0.262 -5.442 1.00 0.00 O ATOM 676 CB SER A 50 -10.395 0.183 -2.231 1.00 0.00 C ATOM 677 OG SER A 50 -11.583 0.212 -3.017 1.00 0.00 O ATOM 0 H SER A 50 -8.085 0.347 -1.335 1.00 0.00 H new ATOM 0 HA SER A 50 -9.179 -1.154 -3.370 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.490 -0.580 -1.458 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.274 1.139 -1.722 1.00 0.00 H new ATOM 0 HG SER A 50 -12.353 0.396 -2.439 1.00 0.00 H new ATOM 683 N TYR A 51 -8.931 2.053 -4.131 1.00 0.00 N ATOM 684 CA TYR A 51 -8.907 2.996 -5.236 1.00 0.00 C ATOM 685 C TYR A 51 -8.013 4.195 -4.913 1.00 0.00 C ATOM 686 O TYR A 51 -7.611 4.384 -3.766 1.00 0.00 O ATOM 687 CB TYR A 51 -10.348 3.481 -5.408 1.00 0.00 C ATOM 688 CG TYR A 51 -10.540 4.461 -6.567 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.432 4.019 -7.870 1.00 0.00 C ATOM 690 CD2 TYR A 51 -10.821 5.787 -6.310 1.00 0.00 C ATOM 691 CE1 TYR A 51 -10.613 4.941 -8.961 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.002 6.710 -7.401 1.00 0.00 C ATOM 693 CZ TYR A 51 -10.889 6.241 -8.673 1.00 0.00 C ATOM 694 OH TYR A 51 -11.060 7.112 -9.703 1.00 0.00 O ATOM 0 H TYR A 51 -8.762 2.466 -3.214 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.515 2.523 -6.136 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.995 2.618 -5.565 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.672 3.959 -4.484 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.212 2.981 -8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.905 6.133 -5.290 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.531 4.608 -9.985 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.222 7.751 -7.213 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.253 8.005 -9.348 1.00 0.00 H new ATOM 704 N ILE A 52 -7.727 4.974 -5.946 1.00 0.00 N ATOM 705 CA ILE A 52 -6.888 6.150 -5.788 1.00 0.00 C ATOM 706 C ILE A 52 -7.528 7.330 -6.521 1.00 0.00 C ATOM 707 O ILE A 52 -7.514 7.384 -7.749 1.00 0.00 O ATOM 708 CB ILE A 52 -5.456 5.850 -6.236 1.00 0.00 C ATOM 709 CG1 ILE A 52 -4.904 4.616 -5.520 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.556 7.073 -6.049 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.707 4.034 -6.275 1.00 0.00 C ATOM 0 H ILE A 52 -8.062 4.814 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.816 6.429 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.472 5.622 -7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.605 4.883 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.686 3.861 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.544 6.833 -6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.941 7.902 -6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.541 7.356 -4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.334 3.158 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.016 3.746 -7.280 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.918 4.783 -6.339 1.00 0.00 H new ATOM 723 N GLU A 53 -8.073 8.248 -5.735 1.00 0.00 N ATOM 724 CA GLU A 53 -8.717 9.425 -6.294 1.00 0.00 C ATOM 725 C GLU A 53 -7.796 10.100 -7.313 1.00 0.00 C ATOM 726 O GLU A 53 -6.574 9.993 -7.217 1.00 0.00 O ATOM 727 CB GLU A 53 -9.125 10.403 -5.191 1.00 0.00 C ATOM 728 CG GLU A 53 -10.539 10.936 -5.427 1.00 0.00 C ATOM 729 CD GLU A 53 -10.559 12.466 -5.404 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.215 13.054 -6.452 1.00 0.00 O ATOM 731 OE2 GLU A 53 -10.918 13.013 -4.338 1.00 0.00 O ATOM 0 H GLU A 53 -8.082 8.200 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.625 9.109 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.077 9.905 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.420 11.234 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.911 10.578 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.210 10.548 -4.661 1.00 0.00 H new ATOM 738 N ALA A 54 -8.417 10.781 -8.264 1.00 0.00 N ATOM 739 CA ALA A 54 -7.669 11.473 -9.299 1.00 0.00 C ATOM 740 C ALA A 54 -7.308 12.877 -8.809 1.00 0.00 C ATOM 741 O ALA A 54 -7.865 13.356 -7.822 1.00 0.00 O ATOM 742 CB ALA A 54 -8.488 11.500 -10.591 1.00 0.00 C ATOM 0 H ALA A 54 -9.430 10.868 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.738 10.949 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.926 12.019 -11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.693 10.479 -10.913 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.429 12.021 -10.414 1.00 0.00 H new ATOM 748 N ASP A 55 -6.378 13.497 -9.521 1.00 0.00 N ATOM 749 CA ASP A 55 -5.936 14.836 -9.170 1.00 0.00 C ATOM 750 C ASP A 55 -5.542 14.868 -7.692 1.00 0.00 C ATOM 751 O ASP A 55 -5.535 15.929 -7.070 1.00 0.00 O ATOM 752 CB ASP A 55 -7.054 15.858 -9.383 1.00 0.00 C ATOM 753 CG ASP A 55 -6.597 17.210 -9.935 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.735 17.830 -9.277 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.121 17.593 -11.004 1.00 0.00 O ATOM 0 H ASP A 55 -5.919 13.097 -10.339 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.089 15.089 -9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.789 15.433 -10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.561 16.023 -8.432 1.00 0.00 H new ATOM 760 N SER A 56 -5.224 13.691 -7.172 1.00 0.00 N ATOM 761 CA SER A 56 -4.830 13.571 -5.779 1.00 0.00 C ATOM 762 C SER A 56 -3.321 13.336 -5.680 1.00 0.00 C ATOM 763 O SER A 56 -2.675 13.000 -6.672 1.00 0.00 O ATOM 764 CB SER A 56 -5.590 12.437 -5.087 1.00 0.00 C ATOM 765 OG SER A 56 -4.715 11.410 -4.628 1.00 0.00 O ATOM 0 H SER A 56 -5.231 12.813 -7.691 1.00 0.00 H new ATOM 0 HA SER A 56 -5.080 14.503 -5.272 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.151 12.839 -4.243 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.316 12.012 -5.780 1.00 0.00 H new ATOM 0 HG SER A 56 -4.918 11.201 -3.692 1.00 0.00 H new ATOM 771 N PRO A 57 -2.789 13.526 -4.443 1.00 0.00 N ATOM 772 CA PRO A 57 -1.369 13.338 -4.202 1.00 0.00 C ATOM 773 C PRO A 57 -1.011 11.851 -4.164 1.00 0.00 C ATOM 774 O PRO A 57 0.146 11.482 -4.361 1.00 0.00 O ATOM 775 CB PRO A 57 -1.096 14.048 -2.886 1.00 0.00 C ATOM 776 CG PRO A 57 -2.448 14.206 -2.209 1.00 0.00 C ATOM 777 CD PRO A 57 -3.523 13.924 -3.245 1.00 0.00 C ATOM 0 HA PRO A 57 -0.749 13.750 -4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.413 13.469 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.628 15.018 -3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.537 13.517 -1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.559 15.214 -1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.196 13.134 -2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.135 14.807 -3.431 1.00 0.00 H new ATOM 785 N ALA A 58 -2.025 11.037 -3.910 1.00 0.00 N ATOM 786 CA ALA A 58 -1.832 9.599 -3.845 1.00 0.00 C ATOM 787 C ALA A 58 -1.529 9.065 -5.246 1.00 0.00 C ATOM 788 O ALA A 58 -0.794 8.090 -5.397 1.00 0.00 O ATOM 789 CB ALA A 58 -3.070 8.945 -3.227 1.00 0.00 C ATOM 0 H ALA A 58 -2.983 11.346 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.982 9.355 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.925 7.866 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.225 9.336 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.943 9.167 -3.841 1.00 0.00 H new ATOM 795 N GLU A 59 -2.110 9.727 -6.236 1.00 0.00 N ATOM 796 CA GLU A 59 -1.911 9.331 -7.619 1.00 0.00 C ATOM 797 C GLU A 59 -0.723 10.085 -8.221 1.00 0.00 C ATOM 798 O GLU A 59 -0.123 9.630 -9.194 1.00 0.00 O ATOM 799 CB GLU A 59 -3.179 9.559 -8.443 1.00 0.00 C ATOM 800 CG GLU A 59 -3.082 8.867 -9.804 1.00 0.00 C ATOM 801 CD GLU A 59 -3.786 7.508 -9.779 1.00 0.00 C ATOM 802 OE1 GLU A 59 -5.022 7.513 -9.594 1.00 0.00 O ATOM 803 OE2 GLU A 59 -3.071 6.496 -9.947 1.00 0.00 O ATOM 0 H GLU A 59 -2.719 10.535 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.689 8.264 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.044 9.179 -7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.337 10.628 -8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.531 9.499 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.035 8.733 -10.074 1.00 0.00 H new ATOM 810 N ARG A 60 -0.419 11.224 -7.618 1.00 0.00 N ATOM 811 CA ARG A 60 0.686 12.046 -8.083 1.00 0.00 C ATOM 812 C ARG A 60 1.984 11.235 -8.089 1.00 0.00 C ATOM 813 O ARG A 60 2.692 11.197 -9.094 1.00 0.00 O ATOM 814 CB ARG A 60 0.867 13.278 -7.195 1.00 0.00 C ATOM 815 CG ARG A 60 -0.014 14.433 -7.674 1.00 0.00 C ATOM 816 CD ARG A 60 0.780 15.739 -7.739 1.00 0.00 C ATOM 817 NE ARG A 60 1.397 15.891 -9.076 1.00 0.00 N ATOM 818 CZ ARG A 60 2.364 16.773 -9.361 1.00 0.00 C ATOM 819 NH1 ARG A 60 2.831 17.589 -8.405 1.00 0.00 N ATOM 820 NH2 ARG A 60 2.865 16.841 -10.602 1.00 0.00 N ATOM 0 H ARG A 60 -0.918 11.598 -6.811 1.00 0.00 H new ATOM 0 HA ARG A 60 0.453 12.374 -9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.616 13.028 -6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.913 13.586 -7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.420 14.201 -8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.862 14.552 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.123 16.584 -7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.553 15.743 -6.970 1.00 0.00 H new ATOM 0 HE ARG A 60 1.065 15.286 -9.827 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.450 17.538 -7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.567 18.260 -8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.510 16.221 -11.330 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.601 17.513 -10.819 1.00 0.00 H new ATOM 834 N CYS A 61 2.257 10.606 -6.955 1.00 0.00 N ATOM 835 CA CYS A 61 3.456 9.798 -6.817 1.00 0.00 C ATOM 836 C CYS A 61 3.405 8.680 -7.860 1.00 0.00 C ATOM 837 O CYS A 61 4.408 8.384 -8.508 1.00 0.00 O ATOM 838 CB CYS A 61 3.608 9.248 -5.397 1.00 0.00 C ATOM 839 SG CYS A 61 2.050 8.451 -4.865 1.00 0.00 S ATOM 0 H CYS A 61 1.668 10.640 -6.123 1.00 0.00 H new ATOM 0 HA CYS A 61 4.336 10.417 -6.992 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.425 8.527 -5.363 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.866 10.055 -4.711 1.00 0.00 H new ATOM 0 HG CYS A 61 1.075 8.856 -5.623 1.00 0.00 H new ATOM 845 N GLY A 62 2.227 8.088 -7.989 1.00 0.00 N ATOM 846 CA GLY A 62 2.032 7.009 -8.942 1.00 0.00 C ATOM 847 C GLY A 62 2.420 5.661 -8.331 1.00 0.00 C ATOM 848 O GLY A 62 1.714 4.669 -8.508 1.00 0.00 O ATOM 0 H GLY A 62 1.398 8.335 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.989 6.982 -9.258 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.631 7.194 -9.834 1.00 0.00 H new ATOM 852 N VAL A 63 3.540 5.669 -7.624 1.00 0.00 N ATOM 853 CA VAL A 63 4.031 4.459 -6.986 1.00 0.00 C ATOM 854 C VAL A 63 2.851 3.687 -6.391 1.00 0.00 C ATOM 855 O VAL A 63 2.824 2.458 -6.434 1.00 0.00 O ATOM 856 CB VAL A 63 5.099 4.811 -5.948 1.00 0.00 C ATOM 857 CG1 VAL A 63 6.367 5.338 -6.624 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.563 5.817 -4.928 1.00 0.00 C ATOM 0 H VAL A 63 4.122 6.494 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 63 4.510 3.809 -7.718 1.00 0.00 H new ATOM 0 HB VAL A 63 5.359 3.898 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.110 5.581 -5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.767 4.575 -7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.128 6.234 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.342 6.050 -4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.261 6.730 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.703 5.389 -4.413 1.00 0.00 H new ATOM 868 N LEU A 64 1.905 4.441 -5.850 1.00 0.00 N ATOM 869 CA LEU A 64 0.726 3.843 -5.247 1.00 0.00 C ATOM 870 C LEU A 64 -0.171 3.273 -6.348 1.00 0.00 C ATOM 871 O LEU A 64 -0.778 4.024 -7.110 1.00 0.00 O ATOM 872 CB LEU A 64 0.019 4.850 -4.338 1.00 0.00 C ATOM 873 CG LEU A 64 0.902 5.559 -3.309 1.00 0.00 C ATOM 874 CD1 LEU A 64 0.110 6.627 -2.550 1.00 0.00 C ATOM 875 CD2 LEU A 64 1.558 4.552 -2.362 1.00 0.00 C ATOM 0 H LEU A 64 1.931 5.460 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 64 1.009 3.011 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.453 5.606 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.780 4.332 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 64 1.704 6.070 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.761 7.116 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.270 7.367 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.726 6.159 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.180 5.082 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.786 3.993 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.176 3.862 -2.936 1.00 0.00 H new ATOM 887 N GLN A 65 -0.226 1.950 -6.396 1.00 0.00 N ATOM 888 CA GLN A 65 -1.039 1.270 -7.391 1.00 0.00 C ATOM 889 C GLN A 65 -2.344 0.778 -6.763 1.00 0.00 C ATOM 890 O GLN A 65 -2.433 0.625 -5.546 1.00 0.00 O ATOM 891 CB GLN A 65 -0.268 0.114 -8.032 1.00 0.00 C ATOM 892 CG GLN A 65 0.870 0.635 -8.912 1.00 0.00 C ATOM 893 CD GLN A 65 2.189 -0.060 -8.572 1.00 0.00 C ATOM 894 OE1 GLN A 65 2.223 -1.137 -8.001 1.00 0.00 O ATOM 895 NE2 GLN A 65 3.270 0.614 -8.954 1.00 0.00 N ATOM 0 H GLN A 65 0.279 1.331 -5.762 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.284 1.981 -8.180 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.136 -0.534 -7.254 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.947 -0.493 -8.631 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.628 0.469 -9.962 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.976 1.711 -8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.170 1.512 -9.428 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.199 0.233 -8.773 1.00 0.00 H new ATOM 904 N ILE A 66 -3.325 0.543 -7.623 1.00 0.00 N ATOM 905 CA ILE A 66 -4.621 0.070 -7.168 1.00 0.00 C ATOM 906 C ILE A 66 -4.485 -1.364 -6.654 1.00 0.00 C ATOM 907 O ILE A 66 -4.020 -2.245 -7.377 1.00 0.00 O ATOM 908 CB ILE A 66 -5.668 0.232 -8.272 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.844 1.704 -8.651 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.993 -0.419 -7.871 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.721 2.431 -7.630 1.00 0.00 C ATOM 0 H ILE A 66 -3.248 0.671 -8.632 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.976 0.675 -6.333 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.310 -0.288 -9.160 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.869 2.188 -8.708 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.295 1.777 -9.641 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.720 -0.289 -8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.836 -1.483 -7.692 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.369 0.051 -6.962 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.830 3.475 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.703 1.960 -7.593 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.255 2.377 -6.646 1.00 0.00 H new ATOM 923 N GLY A 67 -4.900 -1.555 -5.410 1.00 0.00 N ATOM 924 CA GLY A 67 -4.830 -2.868 -4.792 1.00 0.00 C ATOM 925 C GLY A 67 -3.391 -3.217 -4.407 1.00 0.00 C ATOM 926 O GLY A 67 -2.929 -4.329 -4.660 1.00 0.00 O ATOM 0 H GLY A 67 -5.286 -0.823 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.463 -2.891 -3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.218 -3.619 -5.480 1.00 0.00 H new ATOM 930 N ASP A 68 -2.722 -2.247 -3.801 1.00 0.00 N ATOM 931 CA ASP A 68 -1.345 -2.438 -3.379 1.00 0.00 C ATOM 932 C ASP A 68 -1.319 -3.289 -2.108 1.00 0.00 C ATOM 933 O ASP A 68 -2.338 -3.856 -1.715 1.00 0.00 O ATOM 934 CB ASP A 68 -0.675 -1.099 -3.064 1.00 0.00 C ATOM 935 CG ASP A 68 0.580 -0.795 -3.885 1.00 0.00 C ATOM 936 OD1 ASP A 68 1.435 -1.703 -3.973 1.00 0.00 O ATOM 937 OD2 ASP A 68 0.656 0.339 -4.407 1.00 0.00 O ATOM 0 H ASP A 68 -3.108 -1.326 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.808 -2.928 -4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.399 -0.301 -3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.412 -1.081 -2.006 1.00 0.00 H new ATOM 942 N ARG A 69 -0.143 -3.353 -1.500 1.00 0.00 N ATOM 943 CA ARG A 69 0.029 -4.126 -0.282 1.00 0.00 C ATOM 944 C ARG A 69 0.557 -3.233 0.843 1.00 0.00 C ATOM 945 O ARG A 69 1.767 -3.111 1.026 1.00 0.00 O ATOM 946 CB ARG A 69 0.999 -5.289 -0.500 1.00 0.00 C ATOM 947 CG ARG A 69 2.035 -4.944 -1.572 1.00 0.00 C ATOM 948 CD ARG A 69 1.439 -5.077 -2.974 1.00 0.00 C ATOM 949 NE ARG A 69 2.467 -5.572 -3.917 1.00 0.00 N ATOM 950 CZ ARG A 69 3.360 -4.787 -4.534 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.357 -3.465 -4.312 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.256 -5.323 -5.374 1.00 0.00 N ATOM 0 H ARG A 69 0.700 -2.882 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.945 -4.528 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.504 -5.527 0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.445 -6.179 -0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.394 -3.926 -1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.897 -5.604 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.592 -5.763 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.060 -4.112 -3.310 1.00 0.00 H new ATOM 0 HE ARG A 69 2.497 -6.573 -4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.675 -3.057 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.037 -2.867 -4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.258 -6.329 -5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.936 -4.725 -5.844 1.00 0.00 H new ATOM 966 N VAL A 70 -0.376 -2.632 1.566 1.00 0.00 N ATOM 967 CA VAL A 70 -0.019 -1.755 2.668 1.00 0.00 C ATOM 968 C VAL A 70 0.275 -2.597 3.910 1.00 0.00 C ATOM 969 O VAL A 70 -0.627 -3.216 4.474 1.00 0.00 O ATOM 970 CB VAL A 70 -1.126 -0.723 2.894 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.344 -1.362 3.563 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.611 0.464 3.711 1.00 0.00 C ATOM 0 H VAL A 70 -1.379 -2.735 1.410 1.00 0.00 H new ATOM 0 HA VAL A 70 0.887 -1.196 2.433 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.438 -0.348 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.115 -0.607 3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.733 -2.157 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.053 -1.778 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.418 1.182 3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.258 0.113 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.210 0.944 3.178 1.00 0.00 H new ATOM 982 N MET A 71 1.541 -2.595 4.302 1.00 0.00 N ATOM 983 CA MET A 71 1.965 -3.351 5.467 1.00 0.00 C ATOM 984 C MET A 71 1.624 -2.606 6.759 1.00 0.00 C ATOM 985 O MET A 71 1.392 -3.226 7.795 1.00 0.00 O ATOM 986 CB MET A 71 3.475 -3.589 5.399 1.00 0.00 C ATOM 987 CG MET A 71 3.905 -3.981 3.984 1.00 0.00 C ATOM 988 SD MET A 71 4.571 -5.637 3.985 1.00 0.00 S ATOM 989 CE MET A 71 3.073 -6.574 4.239 1.00 0.00 C ATOM 0 H MET A 71 2.287 -2.081 3.833 1.00 0.00 H new ATOM 0 HA MET A 71 1.437 -4.305 5.469 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.003 -2.687 5.707 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.755 -4.376 6.099 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.053 -3.923 3.307 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.653 -3.280 3.615 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.298 -7.640 4.195 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.654 -6.332 5.216 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.351 -6.323 3.462 1.00 0.00 H new ATOM 999 N ALA A 72 1.603 -1.285 6.655 1.00 0.00 N ATOM 1000 CA ALA A 72 1.294 -0.448 7.802 1.00 0.00 C ATOM 1001 C ALA A 72 0.908 0.951 7.317 1.00 0.00 C ATOM 1002 O ALA A 72 1.121 1.290 6.154 1.00 0.00 O ATOM 1003 CB ALA A 72 2.490 -0.426 8.755 1.00 0.00 C ATOM 0 H ALA A 72 1.795 -0.774 5.794 1.00 0.00 H new ATOM 0 HA ALA A 72 0.445 -0.851 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.258 0.202 9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.705 -1.440 9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.361 -0.024 8.237 1.00 0.00 H new ATOM 1009 N ILE A 73 0.348 1.726 8.234 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.069 3.081 7.916 1.00 0.00 C ATOM 1011 C ILE A 73 0.400 4.028 9.022 1.00 0.00 C ATOM 1012 O ILE A 73 -0.229 4.118 10.075 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.577 3.132 7.661 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -1.974 2.183 6.529 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.041 4.565 7.397 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.414 2.439 6.078 1.00 0.00 C ATOM 0 H ILE A 73 0.173 1.441 9.198 1.00 0.00 H new ATOM 0 HA ILE A 73 0.399 3.416 6.990 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.087 2.790 8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.296 2.314 5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.872 1.150 6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.116 4.572 7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.812 5.187 8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.526 4.959 6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.671 1.751 5.272 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.091 2.284 6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.507 3.465 5.722 1.00 0.00 H new ATOM 1028 N ASN A 74 1.502 4.710 8.745 1.00 0.00 N ATOM 1029 CA ASN A 74 2.063 5.647 9.703 1.00 0.00 C ATOM 1030 C ASN A 74 2.719 4.870 10.846 1.00 0.00 C ATOM 1031 O ASN A 74 2.881 5.395 11.946 1.00 0.00 O ATOM 1032 CB ASN A 74 0.974 6.540 10.303 1.00 0.00 C ATOM 1033 CG ASN A 74 1.277 8.018 10.051 1.00 0.00 C ATOM 1034 OD1 ASN A 74 0.508 8.577 9.121 1.00 0.00 O flip ATOM 1035 ND2 ASN A 74 2.151 8.612 10.662 1.00 0.00 N flip ATOM 0 H ASN A 74 2.021 4.632 7.871 1.00 0.00 H new ATOM 0 HA ASN A 74 2.791 6.267 9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.008 6.284 9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.899 6.358 11.375 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.705 8.122 11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.327 9.598 10.470 1.00 0.00 H new ATOM 1042 N GLY A 75 3.079 3.630 10.546 1.00 0.00 N ATOM 1043 CA GLY A 75 3.713 2.775 11.534 1.00 0.00 C ATOM 1044 C GLY A 75 2.692 1.847 12.194 1.00 0.00 C ATOM 1045 O GLY A 75 3.063 0.892 12.874 1.00 0.00 O ATOM 0 H GLY A 75 2.943 3.198 9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.494 2.182 11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.196 3.389 12.294 1.00 0.00 H new ATOM 1049 N ILE A 76 1.424 2.159 11.968 1.00 0.00 N ATOM 1050 CA ILE A 76 0.346 1.365 12.532 1.00 0.00 C ATOM 1051 C ILE A 76 0.246 0.039 11.776 1.00 0.00 C ATOM 1052 O ILE A 76 0.292 0.015 10.547 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.959 2.165 12.545 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.980 3.161 13.706 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.173 1.234 12.566 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -1.060 2.434 15.050 1.00 0.00 C ATOM 0 H ILE A 76 1.119 2.951 11.402 1.00 0.00 H new ATOM 0 HA ILE A 76 0.556 1.124 13.574 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.014 2.744 11.623 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.083 3.779 13.676 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.833 3.831 13.600 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.087 1.828 12.575 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.161 0.600 11.679 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.137 0.610 13.459 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.074 3.165 15.859 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.970 1.836 15.086 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.193 1.783 15.164 1.00 0.00 H new ATOM 1068 N PRO A 77 0.108 -1.062 12.562 1.00 0.00 N ATOM 1069 CA PRO A 77 0.002 -2.389 11.980 1.00 0.00 C ATOM 1070 C PRO A 77 -1.383 -2.610 11.368 1.00 0.00 C ATOM 1071 O PRO A 77 -2.384 -2.635 12.082 1.00 0.00 O ATOM 1072 CB PRO A 77 0.306 -3.345 13.122 1.00 0.00 C ATOM 1073 CG PRO A 77 0.114 -2.544 14.399 1.00 0.00 C ATOM 1074 CD PRO A 77 0.050 -1.073 14.021 1.00 0.00 C ATOM 0 HA PRO A 77 0.696 -2.543 11.154 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.361 -4.207 13.098 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.324 -3.728 13.050 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.802 -2.848 14.906 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.937 -2.725 15.091 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.868 -0.610 14.384 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.881 -0.516 14.454 1.00 0.00 H new ATOM 1082 N THR A 78 -1.395 -2.765 10.052 1.00 0.00 N ATOM 1083 CA THR A 78 -2.641 -2.984 9.336 1.00 0.00 C ATOM 1084 C THR A 78 -2.859 -4.477 9.089 1.00 0.00 C ATOM 1085 O THR A 78 -2.527 -4.988 8.020 1.00 0.00 O ATOM 1086 CB THR A 78 -2.599 -2.154 8.051 1.00 0.00 C ATOM 1087 OG1 THR A 78 -1.252 -2.280 7.601 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.765 -0.656 8.315 1.00 0.00 C ATOM 0 H THR A 78 -0.562 -2.743 9.463 1.00 0.00 H new ATOM 0 HA THR A 78 -3.498 -2.656 9.924 1.00 0.00 H new ATOM 0 HB THR A 78 -3.384 -2.492 7.375 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.246 -2.564 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.728 -0.114 7.370 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.725 -0.476 8.799 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.961 -0.310 8.964 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.415 -5.136 10.094 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.682 -6.562 9.999 1.00 0.00 C ATOM 1098 C GLU A 79 -4.140 -7.108 11.353 1.00 0.00 C ATOM 1099 O GLU A 79 -3.456 -7.931 11.958 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.451 -7.317 9.491 1.00 0.00 C ATOM 1101 CG GLU A 79 -2.789 -8.142 8.248 1.00 0.00 C ATOM 1102 CD GLU A 79 -2.933 -9.625 8.596 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -3.971 -9.967 9.203 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -2.002 -10.382 8.248 1.00 0.00 O ATOM 0 H GLU A 79 -3.688 -4.709 10.979 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.485 -6.715 9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.656 -6.609 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.073 -7.973 10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.716 -7.777 7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.007 -8.015 7.499 1.00 0.00 H new ATOM 1111 N ASP A 80 -5.295 -6.627 11.788 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.853 -7.056 13.059 1.00 0.00 C ATOM 1113 C ASP A 80 -7.097 -6.222 13.373 1.00 0.00 C ATOM 1114 O ASP A 80 -8.198 -6.760 13.480 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.850 -6.856 14.197 1.00 0.00 C ATOM 1116 CG ASP A 80 -5.417 -7.063 15.603 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -6.471 -6.452 15.885 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -4.785 -7.827 16.363 1.00 0.00 O ATOM 0 H ASP A 80 -5.860 -5.944 11.283 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.100 -8.115 12.978 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.017 -7.544 14.052 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.444 -5.847 14.130 1.00 0.00 H new ATOM 1123 N SER A 81 -6.879 -4.923 13.513 1.00 0.00 N ATOM 1124 CA SER A 81 -7.969 -4.010 13.812 1.00 0.00 C ATOM 1125 C SER A 81 -9.003 -4.040 12.685 1.00 0.00 C ATOM 1126 O SER A 81 -8.887 -4.835 11.753 1.00 0.00 O ATOM 1127 CB SER A 81 -7.452 -2.585 14.020 1.00 0.00 C ATOM 1128 OG SER A 81 -6.146 -2.407 13.478 1.00 0.00 O ATOM 0 H SER A 81 -5.964 -4.481 13.425 1.00 0.00 H new ATOM 0 HA SER A 81 -8.442 -4.335 14.738 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.138 -1.879 13.553 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.437 -2.357 15.086 1.00 0.00 H new ATOM 0 HG SER A 81 -5.852 -1.484 13.629 1.00 0.00 H new ATOM 1134 N THR A 82 -9.990 -3.165 12.806 1.00 0.00 N ATOM 1135 CA THR A 82 -11.043 -3.082 11.809 1.00 0.00 C ATOM 1136 C THR A 82 -10.570 -2.273 10.599 1.00 0.00 C ATOM 1137 O THR A 82 -9.826 -1.305 10.748 1.00 0.00 O ATOM 1138 CB THR A 82 -12.287 -2.497 12.482 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.055 -1.091 12.477 1.00 0.00 O ATOM 1140 CG2 THR A 82 -12.372 -2.856 13.967 1.00 0.00 C ATOM 0 H THR A 82 -10.083 -2.507 13.580 1.00 0.00 H new ATOM 0 HA THR A 82 -11.299 -4.068 11.421 1.00 0.00 H new ATOM 0 HB THR A 82 -13.180 -2.856 11.970 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.814 -0.633 12.894 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.272 -2.417 14.397 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.409 -3.940 14.078 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.496 -2.468 14.486 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.021 -2.700 9.429 1.00 0.00 N ATOM 1149 CA PHE A 83 -10.652 -2.028 8.194 1.00 0.00 C ATOM 1150 C PHE A 83 -10.875 -0.518 8.305 1.00 0.00 C ATOM 1151 O PHE A 83 -10.248 0.260 7.588 1.00 0.00 O ATOM 1152 CB PHE A 83 -11.557 -2.585 7.094 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.024 -1.538 6.081 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -12.948 -0.608 6.441 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -11.513 -1.536 4.821 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.381 0.364 5.501 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -11.946 -0.564 3.881 1.00 0.00 C ATOM 1158 CZ PHE A 83 -12.871 0.366 4.241 1.00 0.00 C ATOM 0 H PHE A 83 -11.639 -3.503 9.310 1.00 0.00 H new ATOM 0 HA PHE A 83 -9.597 -2.198 7.978 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.024 -3.375 6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.431 -3.044 7.555 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.353 -0.609 7.442 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.778 -2.274 4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.116 1.102 5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.541 -0.563 2.880 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.200 1.106 3.526 1.00 0.00 H new ATOM 1168 N GLU A 84 -11.771 -0.149 9.209 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.084 1.254 9.423 1.00 0.00 C ATOM 1170 C GLU A 84 -10.930 1.951 10.146 1.00 0.00 C ATOM 1171 O GLU A 84 -10.825 3.177 10.116 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.393 1.411 10.200 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.418 2.209 9.392 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.109 3.257 10.266 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -15.695 2.845 11.290 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -15.037 4.447 9.890 1.00 0.00 O ATOM 0 H GLU A 84 -12.290 -0.797 9.801 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.217 1.729 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.799 0.428 10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.200 1.914 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.924 2.699 8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.162 1.532 8.972 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.094 1.141 10.778 1.00 0.00 N ATOM 1184 CA GLU A 85 -8.952 1.665 11.507 1.00 0.00 C ATOM 1185 C GLU A 85 -8.006 2.400 10.555 1.00 0.00 C ATOM 1186 O GLU A 85 -7.422 3.420 10.919 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.219 0.549 12.255 1.00 0.00 C ATOM 1188 CG GLU A 85 -7.483 -0.372 11.280 1.00 0.00 C ATOM 1189 CD GLU A 85 -6.008 0.020 11.163 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -5.545 0.761 12.056 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -5.378 -0.430 10.182 1.00 0.00 O ATOM 0 H GLU A 85 -10.185 0.125 10.800 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.315 2.377 12.249 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.508 0.983 12.958 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.932 -0.031 12.841 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.563 -1.405 11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.955 -0.321 10.299 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.884 1.853 9.355 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.019 2.444 8.348 1.00 0.00 C ATOM 1200 C ALA A 86 -7.664 3.726 7.816 1.00 0.00 C ATOM 1201 O ALA A 86 -7.029 4.779 7.788 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.753 1.422 7.240 1.00 0.00 C ATOM 0 H ALA A 86 -8.370 1.007 9.057 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.056 2.715 8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.104 1.865 6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.268 0.543 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.697 1.129 6.781 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.917 3.594 7.407 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.654 4.728 6.878 1.00 0.00 C ATOM 1210 C ASN A 87 -9.548 5.901 7.855 1.00 0.00 C ATOM 1211 O ASN A 87 -9.726 7.055 7.467 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.136 4.390 6.705 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.727 5.115 5.495 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -12.048 6.292 5.539 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -11.853 4.351 4.414 1.00 0.00 N ATOM 0 H ASN A 87 -9.440 2.719 7.431 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.227 4.984 5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.255 3.314 6.582 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.684 4.671 7.605 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.238 4.743 3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.565 3.373 4.444 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.259 5.565 9.103 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.127 6.576 10.139 1.00 0.00 C ATOM 1224 C GLN A 88 -7.721 7.178 10.116 1.00 0.00 C ATOM 1225 O GLN A 88 -7.557 8.388 10.267 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.453 5.995 11.516 1.00 0.00 C ATOM 1227 CG GLN A 88 -10.817 6.483 12.008 1.00 0.00 C ATOM 1228 CD GLN A 88 -11.944 5.605 11.461 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.484 4.748 12.141 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.267 5.864 10.197 1.00 0.00 N ATOM 0 H GLN A 88 -9.112 4.607 9.421 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.845 7.371 9.938 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.449 4.906 11.465 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.681 6.284 12.229 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.839 6.473 13.098 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.972 7.516 11.696 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.775 6.596 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.007 5.331 9.740 1.00 0.00 H new ATOM 1239 N LEU A 89 -6.741 6.306 9.927 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.354 6.737 9.883 1.00 0.00 C ATOM 1241 C LEU A 89 -5.208 7.867 8.862 1.00 0.00 C ATOM 1242 O LEU A 89 -4.249 8.635 8.915 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.431 5.546 9.618 1.00 0.00 C ATOM 1244 CG LEU A 89 -4.511 4.398 10.628 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.256 3.526 10.566 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -4.773 4.927 12.039 1.00 0.00 C ATOM 0 H LEU A 89 -6.880 5.303 9.803 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.049 7.138 10.849 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.657 5.149 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.403 5.907 9.589 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.357 3.765 10.360 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.338 2.718 11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.154 3.105 9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.380 4.133 10.795 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.825 4.091 12.737 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.964 5.595 12.333 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.717 5.472 12.054 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.173 7.932 7.956 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.163 8.955 6.925 1.00 0.00 C ATOM 1260 C LEU A 90 -6.757 10.247 7.489 1.00 0.00 C ATOM 1261 O LEU A 90 -6.088 11.278 7.525 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.870 8.452 5.664 1.00 0.00 C ATOM 1263 CG LEU A 90 -6.069 7.490 4.785 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.783 7.238 3.456 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.639 7.996 4.580 1.00 0.00 C ATOM 0 H LEU A 90 -6.967 7.293 7.915 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.141 9.180 6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.794 7.956 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.152 9.315 5.061 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.001 6.532 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.192 6.551 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.764 6.802 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.902 8.181 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.091 7.294 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.664 8.972 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.142 8.083 5.546 1.00 0.00 H new ATOM 1277 N ARG A 91 -8.008 10.149 7.914 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.700 11.298 8.475 1.00 0.00 C ATOM 1279 C ARG A 91 -7.909 11.871 9.652 1.00 0.00 C ATOM 1280 O ARG A 91 -8.125 13.014 10.051 1.00 0.00 O ATOM 1281 CB ARG A 91 -10.104 10.917 8.948 1.00 0.00 C ATOM 1282 CG ARG A 91 -10.049 10.167 10.281 1.00 0.00 C ATOM 1283 CD ARG A 91 -10.751 10.959 11.385 1.00 0.00 C ATOM 1284 NE ARG A 91 -11.969 10.242 11.826 1.00 0.00 N ATOM 1285 CZ ARG A 91 -12.932 10.790 12.580 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -12.826 12.064 12.980 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -14.001 10.063 12.932 1.00 0.00 N ATOM 0 H ARG A 91 -8.561 9.292 7.881 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.785 12.050 7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.711 11.816 9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.588 10.294 8.196 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.521 9.191 10.173 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.010 9.990 10.560 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.076 11.099 12.229 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.015 11.952 11.020 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.082 9.270 11.538 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.012 12.617 12.711 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.559 12.481 13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.081 9.093 12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.734 10.479 13.506 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.011 11.050 10.176 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.187 11.461 11.300 1.00 0.00 C ATOM 1303 C ASP A 92 -4.942 12.181 10.778 1.00 0.00 C ATOM 1304 O ASP A 92 -4.479 13.146 11.385 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.726 10.252 12.117 1.00 0.00 C ATOM 1306 CG ASP A 92 -4.838 10.583 13.317 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -5.065 11.659 13.912 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -3.952 9.753 13.614 1.00 0.00 O ATOM 0 H ASP A 92 -6.836 10.102 9.843 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.784 12.117 11.933 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.606 9.716 12.472 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.183 9.573 11.459 1.00 0.00 H new ATOM 1313 N SER A 93 -4.436 11.685 9.659 1.00 0.00 N ATOM 1314 CA SER A 93 -3.254 12.269 9.049 1.00 0.00 C ATOM 1315 C SER A 93 -3.535 13.717 8.644 1.00 0.00 C ATOM 1316 O SER A 93 -2.689 14.592 8.822 1.00 0.00 O ATOM 1317 CB SER A 93 -2.802 11.456 7.834 1.00 0.00 C ATOM 1318 OG SER A 93 -1.726 10.577 8.150 1.00 0.00 O ATOM 0 H SER A 93 -4.823 10.885 9.159 1.00 0.00 H new ATOM 0 HA SER A 93 -2.448 12.254 9.783 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.643 10.877 7.452 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.494 12.134 7.038 1.00 0.00 H new ATOM 0 HG SER A 93 -0.938 11.102 8.401 1.00 0.00 H new ATOM 1324 N SER A 94 -4.728 13.926 8.105 1.00 0.00 N ATOM 1325 CA SER A 94 -5.132 15.253 7.673 1.00 0.00 C ATOM 1326 C SER A 94 -4.642 16.301 8.675 1.00 0.00 C ATOM 1327 O SER A 94 -4.352 17.436 8.299 1.00 0.00 O ATOM 1328 CB SER A 94 -6.651 15.342 7.512 1.00 0.00 C ATOM 1329 OG SER A 94 -7.034 15.516 6.150 1.00 0.00 O ATOM 0 H SER A 94 -5.427 13.198 7.958 1.00 0.00 H new ATOM 0 HA SER A 94 -4.679 15.449 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.111 14.435 7.905 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.030 16.175 8.105 1.00 0.00 H new ATOM 0 HG SER A 94 -8.011 15.567 6.089 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.566 15.884 9.930 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.117 16.772 10.988 1.00 0.00 C ATOM 1337 C ILE A 95 -2.775 17.391 10.593 1.00 0.00 C ATOM 1338 O ILE A 95 -2.699 18.582 10.296 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.084 16.035 12.328 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.499 15.814 12.867 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.195 16.768 13.335 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.608 14.466 13.583 1.00 0.00 C ATOM 0 H ILE A 95 -4.808 14.942 10.238 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.821 17.594 11.120 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.644 15.051 12.166 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.759 16.618 13.556 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.215 15.853 12.046 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.189 16.223 14.279 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.179 16.830 12.945 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.583 17.773 13.499 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.623 14.334 13.957 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.370 13.663 12.885 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.908 14.440 14.418 1.00 0.00 H new ATOM 1354 N THR A 96 -1.748 16.554 10.602 1.00 0.00 N ATOM 1355 CA THR A 96 -0.412 17.003 10.249 1.00 0.00 C ATOM 1356 C THR A 96 -0.339 17.335 8.757 1.00 0.00 C ATOM 1357 O THR A 96 0.655 17.888 8.289 1.00 0.00 O ATOM 1358 CB THR A 96 0.580 15.922 10.680 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.849 16.440 10.291 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.437 14.636 9.864 1.00 0.00 C ATOM 0 H THR A 96 -1.814 15.566 10.848 1.00 0.00 H new ATOM 0 HA THR A 96 -0.154 17.926 10.769 1.00 0.00 H new ATOM 0 HB THR A 96 0.436 15.699 11.737 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.722 17.160 9.638 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.165 13.902 10.211 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.569 14.236 9.988 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.614 14.852 8.810 1.00 0.00 H new ATOM 1368 N SER A 97 -1.404 16.984 8.052 1.00 0.00 N ATOM 1369 CA SER A 97 -1.473 17.237 6.623 1.00 0.00 C ATOM 1370 C SER A 97 -0.544 16.278 5.876 1.00 0.00 C ATOM 1371 O SER A 97 -0.217 16.505 4.712 1.00 0.00 O ATOM 1372 CB SER A 97 -1.106 18.688 6.303 1.00 0.00 C ATOM 1373 OG SER A 97 -2.200 19.402 5.733 1.00 0.00 O ATOM 0 H SER A 97 -2.227 16.526 8.444 1.00 0.00 H new ATOM 0 HA SER A 97 -2.499 17.068 6.295 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.781 19.189 7.215 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.263 18.705 5.612 1.00 0.00 H new ATOM 0 HG SER A 97 -1.926 20.324 5.545 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.146 15.226 6.576 1.00 0.00 N ATOM 1380 CA LYS A 98 0.739 14.231 5.994 1.00 0.00 C ATOM 1381 C LYS A 98 0.295 12.837 6.441 1.00 0.00 C ATOM 1382 O LYS A 98 -0.261 12.676 7.526 1.00 0.00 O ATOM 1383 CB LYS A 98 2.198 14.549 6.328 1.00 0.00 C ATOM 1384 CG LYS A 98 3.117 14.207 5.154 1.00 0.00 C ATOM 1385 CD LYS A 98 4.429 14.989 5.239 1.00 0.00 C ATOM 1386 CE LYS A 98 4.703 15.744 3.937 1.00 0.00 C ATOM 1387 NZ LYS A 98 4.472 17.194 4.121 1.00 0.00 N ATOM 0 H LYS A 98 -0.420 15.041 7.541 1.00 0.00 H new ATOM 0 HA LYS A 98 0.674 14.253 4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.296 15.606 6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.504 13.986 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.327 13.137 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.613 14.436 4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.383 15.694 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.252 14.305 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.731 15.571 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.056 15.364 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.662 17.692 3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.484 17.355 4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.107 17.556 4.861 1.00 0.00 H new ATOM 1401 N VAL A 99 0.559 11.863 5.581 1.00 0.00 N ATOM 1402 CA VAL A 99 0.194 10.487 5.874 1.00 0.00 C ATOM 1403 C VAL A 99 1.302 9.554 5.381 1.00 0.00 C ATOM 1404 O VAL A 99 1.852 9.755 4.299 1.00 0.00 O ATOM 1405 CB VAL A 99 -1.173 10.167 5.265 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -1.091 10.104 3.738 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.737 8.866 5.838 1.00 0.00 C ATOM 0 H VAL A 99 1.021 12.000 4.682 1.00 0.00 H new ATOM 0 HA VAL A 99 0.098 10.338 6.949 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.856 10.974 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.075 9.875 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.753 11.066 3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.386 9.326 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.709 8.662 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.055 8.045 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.850 8.963 6.918 1.00 0.00 H new ATOM 1417 N THR A 100 1.596 8.554 6.198 1.00 0.00 N ATOM 1418 CA THR A 100 2.628 7.589 5.859 1.00 0.00 C ATOM 1419 C THR A 100 2.011 6.210 5.617 1.00 0.00 C ATOM 1420 O THR A 100 1.241 5.718 6.440 1.00 0.00 O ATOM 1421 CB THR A 100 3.672 7.600 6.977 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.598 8.607 6.578 1.00 0.00 O ATOM 1423 CG2 THR A 100 4.507 6.319 7.011 1.00 0.00 C ATOM 0 H THR A 100 1.137 8.391 7.094 1.00 0.00 H new ATOM 0 HA THR A 100 3.126 7.855 4.927 1.00 0.00 H new ATOM 0 HB THR A 100 3.174 7.734 7.937 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.309 8.682 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.232 6.379 7.822 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.853 5.462 7.172 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.032 6.202 6.063 1.00 0.00 H new ATOM 1431 N LEU A 101 2.372 5.626 4.484 1.00 0.00 N ATOM 1432 CA LEU A 101 1.863 4.314 4.123 1.00 0.00 C ATOM 1433 C LEU A 101 3.036 3.392 3.783 1.00 0.00 C ATOM 1434 O LEU A 101 3.902 3.752 2.987 1.00 0.00 O ATOM 1435 CB LEU A 101 0.827 4.430 3.003 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.380 5.324 3.295 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -0.661 6.265 2.122 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.605 4.487 3.666 1.00 0.00 C ATOM 0 H LEU A 101 3.011 6.037 3.804 1.00 0.00 H new ATOM 0 HA LEU A 101 1.338 3.865 4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.326 4.808 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.464 3.430 2.766 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.144 5.947 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.524 6.889 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.209 6.898 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.869 5.679 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.449 5.147 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.855 3.822 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.386 3.895 4.555 1.00 0.00 H new ATOM 1450 N GLU A 102 3.026 2.221 4.403 1.00 0.00 N ATOM 1451 CA GLU A 102 4.079 1.246 4.176 1.00 0.00 C ATOM 1452 C GLU A 102 3.635 0.220 3.131 1.00 0.00 C ATOM 1453 O GLU A 102 2.772 -0.613 3.401 1.00 0.00 O ATOM 1454 CB GLU A 102 4.481 0.559 5.482 1.00 0.00 C ATOM 1455 CG GLU A 102 5.989 0.310 5.529 1.00 0.00 C ATOM 1456 CD GLU A 102 6.577 0.757 6.869 1.00 0.00 C ATOM 1457 OE1 GLU A 102 6.455 1.964 7.168 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.136 -0.119 7.564 1.00 0.00 O ATOM 0 H GLU A 102 2.306 1.926 5.062 1.00 0.00 H new ATOM 0 HA GLU A 102 4.956 1.769 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.185 1.178 6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.949 -0.388 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.191 -0.750 5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.476 0.849 4.716 1.00 0.00 H new ATOM 1465 N ILE A 103 4.246 0.315 1.959 1.00 0.00 N ATOM 1466 CA ILE A 103 3.925 -0.594 0.872 1.00 0.00 C ATOM 1467 C ILE A 103 5.045 -1.627 0.729 1.00 0.00 C ATOM 1468 O ILE A 103 6.148 -1.425 1.234 1.00 0.00 O ATOM 1469 CB ILE A 103 3.640 0.186 -0.413 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.498 1.183 -0.207 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.369 -0.763 -1.582 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.145 0.468 -0.176 1.00 0.00 C ATOM 0 H ILE A 103 4.962 1.008 1.739 1.00 0.00 H new ATOM 0 HA ILE A 103 3.010 -1.144 1.093 1.00 0.00 H new ATOM 0 HB ILE A 103 4.529 0.763 -0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.648 1.726 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.505 1.921 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.169 -0.183 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.240 -1.398 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.504 -1.385 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.350 1.199 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.987 -0.054 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.132 -0.252 0.643 1.00 0.00 H new ATOM 1484 N GLU A 104 4.722 -2.711 0.039 1.00 0.00 N ATOM 1485 CA GLU A 104 5.687 -3.776 -0.177 1.00 0.00 C ATOM 1486 C GLU A 104 5.838 -4.060 -1.673 1.00 0.00 C ATOM 1487 O GLU A 104 4.848 -4.126 -2.399 1.00 0.00 O ATOM 1488 CB GLU A 104 5.287 -5.041 0.584 1.00 0.00 C ATOM 1489 CG GLU A 104 6.009 -6.269 0.025 1.00 0.00 C ATOM 1490 CD GLU A 104 6.284 -7.292 1.129 1.00 0.00 C ATOM 1491 OE1 GLU A 104 6.987 -6.914 2.091 1.00 0.00 O ATOM 1492 OE2 GLU A 104 5.786 -8.429 0.985 1.00 0.00 O ATOM 0 H GLU A 104 3.806 -2.875 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 104 6.652 -3.449 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.526 -4.924 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.209 -5.186 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.404 -6.727 -0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.949 -5.965 -0.436 1.00 0.00 H new ATOM 1499 N PHE A 105 7.086 -4.220 -2.089 1.00 0.00 N ATOM 1500 CA PHE A 105 7.380 -4.496 -3.485 1.00 0.00 C ATOM 1501 C PHE A 105 8.488 -5.542 -3.616 1.00 0.00 C ATOM 1502 O PHE A 105 9.028 -6.008 -2.614 1.00 0.00 O ATOM 1503 CB PHE A 105 7.858 -3.183 -4.109 1.00 0.00 C ATOM 1504 CG PHE A 105 8.894 -2.436 -3.268 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.525 -1.847 -2.099 1.00 0.00 C ATOM 1506 CD2 PHE A 105 10.185 -2.360 -3.689 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.487 -1.153 -1.319 1.00 0.00 C ATOM 1508 CE2 PHE A 105 11.147 -1.666 -2.909 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.778 -1.077 -1.740 1.00 0.00 C ATOM 0 H PHE A 105 7.905 -4.164 -1.484 1.00 0.00 H new ATOM 0 HA PHE A 105 6.491 -4.884 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.284 -3.393 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.997 -2.533 -4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.500 -1.907 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.478 -2.828 -4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.194 -0.685 -0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.172 -1.606 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.510 -0.549 -1.146 1.00 0.00 H new ATOM 1519 N ASP A 106 8.794 -5.882 -4.860 1.00 0.00 N ATOM 1520 CA ASP A 106 9.828 -6.865 -5.135 1.00 0.00 C ATOM 1521 C ASP A 106 11.152 -6.145 -5.398 1.00 0.00 C ATOM 1522 O ASP A 106 11.163 -5.017 -5.888 1.00 0.00 O ATOM 1523 CB ASP A 106 9.485 -7.693 -6.375 1.00 0.00 C ATOM 1524 CG ASP A 106 8.912 -6.894 -7.547 1.00 0.00 C ATOM 1525 OD1 ASP A 106 9.450 -5.794 -7.802 1.00 0.00 O ATOM 1526 OD2 ASP A 106 7.950 -7.401 -8.163 1.00 0.00 O ATOM 0 H ASP A 106 8.344 -5.494 -5.689 1.00 0.00 H new ATOM 0 HA ASP A 106 9.905 -7.525 -4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 106 10.386 -8.207 -6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.766 -8.462 -6.093 1.00 0.00 H new ATOM 1531 N VAL A 107 12.237 -6.827 -5.060 1.00 0.00 N ATOM 1532 CA VAL A 107 13.564 -6.267 -5.254 1.00 0.00 C ATOM 1533 C VAL A 107 14.341 -7.139 -6.242 1.00 0.00 C ATOM 1534 O VAL A 107 14.168 -8.356 -6.272 1.00 0.00 O ATOM 1535 CB VAL A 107 14.270 -6.117 -3.905 1.00 0.00 C ATOM 1536 CG1 VAL A 107 15.635 -5.445 -4.073 1.00 0.00 C ATOM 1537 CG2 VAL A 107 13.398 -5.347 -2.912 1.00 0.00 C ATOM 0 H VAL A 107 12.224 -7.762 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 107 13.498 -5.268 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 107 14.435 -7.115 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 107 16.116 -5.350 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 107 16.260 -6.050 -4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 107 15.502 -4.455 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 107 13.924 -5.255 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 107 13.186 -4.354 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 107 12.462 -5.883 -2.758 1.00 0.00 H new ATOM 1547 N ALA A 108 15.181 -6.481 -7.028 1.00 0.00 N ATOM 1548 CA ALA A 108 15.986 -7.181 -8.015 1.00 0.00 C ATOM 1549 C ALA A 108 17.054 -8.011 -7.300 1.00 0.00 C ATOM 1550 O ALA A 108 17.670 -7.545 -6.343 1.00 0.00 O ATOM 1551 CB ALA A 108 16.590 -6.170 -8.991 1.00 0.00 C ATOM 0 H ALA A 108 15.321 -5.471 -7.001 1.00 0.00 H new ATOM 0 HA ALA A 108 15.370 -7.867 -8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 108 17.194 -6.695 -9.731 1.00 0.00 H new ATOM 0 HB2 ALA A 108 15.790 -5.627 -9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 108 17.217 -5.466 -8.444 1.00 0.00 H new ATOM 1557 N GLU A 109 17.240 -9.227 -7.792 1.00 0.00 N ATOM 1558 CA GLU A 109 18.223 -10.127 -7.213 1.00 0.00 C ATOM 1559 C GLU A 109 19.336 -10.418 -8.221 1.00 0.00 C ATOM 1560 O GLU A 109 19.199 -10.118 -9.406 1.00 0.00 O ATOM 1561 CB GLU A 109 17.565 -11.422 -6.733 1.00 0.00 C ATOM 1562 CG GLU A 109 17.156 -11.318 -5.262 1.00 0.00 C ATOM 1563 CD GLU A 109 17.906 -12.344 -4.411 1.00 0.00 C ATOM 1564 OE1 GLU A 109 18.104 -13.469 -4.920 1.00 0.00 O ATOM 1565 OE2 GLU A 109 18.265 -11.981 -3.270 1.00 0.00 O ATOM 0 H GLU A 109 16.726 -9.610 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 109 18.666 -9.639 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.688 -11.636 -7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.256 -12.255 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.363 -10.313 -4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.082 -11.477 -5.167 1.00 0.00 H new ATOM 1572 N SER A 110 20.414 -10.999 -7.714 1.00 0.00 N ATOM 1573 CA SER A 110 21.550 -11.334 -8.556 1.00 0.00 C ATOM 1574 C SER A 110 21.334 -12.701 -9.206 1.00 0.00 C ATOM 1575 O SER A 110 21.538 -13.734 -8.571 1.00 0.00 O ATOM 1576 CB SER A 110 22.852 -11.328 -7.752 1.00 0.00 C ATOM 1577 OG SER A 110 23.195 -10.021 -7.301 1.00 0.00 O ATOM 0 H SER A 110 20.525 -11.246 -6.731 1.00 0.00 H new ATOM 0 HA SER A 110 21.633 -10.577 -9.336 1.00 0.00 H new ATOM 0 HB2 SER A 110 22.751 -11.993 -6.894 1.00 0.00 H new ATOM 0 HB3 SER A 110 23.660 -11.723 -8.368 1.00 0.00 H new ATOM 0 HG SER A 110 24.031 -10.060 -6.791 1.00 0.00 H new ATOM 1583 N VAL A 111 20.924 -12.664 -10.466 1.00 0.00 N ATOM 1584 CA VAL A 111 20.678 -13.887 -11.210 1.00 0.00 C ATOM 1585 C VAL A 111 20.689 -13.579 -12.708 1.00 0.00 C ATOM 1586 O VAL A 111 20.082 -12.604 -13.149 1.00 0.00 O ATOM 1587 CB VAL A 111 19.372 -14.531 -10.741 1.00 0.00 C ATOM 1588 CG1 VAL A 111 18.169 -13.657 -11.103 1.00 0.00 C ATOM 1589 CG2 VAL A 111 19.218 -15.941 -11.316 1.00 0.00 C ATOM 0 H VAL A 111 20.756 -11.805 -10.990 1.00 0.00 H new ATOM 0 HA VAL A 111 21.469 -14.614 -11.022 1.00 0.00 H new ATOM 0 HB VAL A 111 19.411 -14.615 -9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 111 17.253 -14.138 -10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.270 -12.683 -10.624 1.00 0.00 H new ATOM 0 HG13 VAL A 111 18.126 -13.527 -12.184 1.00 0.00 H new ATOM 0 HG21 VAL A 111 18.281 -16.376 -10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 111 19.211 -15.891 -12.405 1.00 0.00 H new ATOM 0 HG23 VAL A 111 20.051 -16.561 -10.986 1.00 0.00 H new ATOM 1599 N ILE A 112 21.385 -14.428 -13.450 1.00 0.00 N ATOM 1600 CA ILE A 112 21.483 -14.259 -14.889 1.00 0.00 C ATOM 1601 C ILE A 112 20.076 -14.180 -15.486 1.00 0.00 C ATOM 1602 O ILE A 112 19.202 -14.969 -15.130 1.00 0.00 O ATOM 1603 CB ILE A 112 22.349 -15.361 -15.501 1.00 0.00 C ATOM 1604 CG1 ILE A 112 23.160 -14.828 -16.684 1.00 0.00 C ATOM 1605 CG2 ILE A 112 21.501 -16.574 -15.888 1.00 0.00 C ATOM 1606 CD1 ILE A 112 24.167 -15.871 -17.173 1.00 0.00 C ATOM 0 H ILE A 112 21.887 -15.236 -13.081 1.00 0.00 H new ATOM 0 HA ILE A 112 21.985 -13.322 -15.129 1.00 0.00 H new ATOM 0 HB ILE A 112 23.061 -15.694 -14.746 1.00 0.00 H new ATOM 0 HG12 ILE A 112 22.487 -14.557 -17.498 1.00 0.00 H new ATOM 0 HG13 ILE A 112 23.686 -13.920 -16.389 1.00 0.00 H new ATOM 0 HG21 ILE A 112 22.141 -17.343 -16.321 1.00 0.00 H new ATOM 0 HG22 ILE A 112 21.007 -16.970 -15.001 1.00 0.00 H new ATOM 0 HG23 ILE A 112 20.750 -16.274 -16.619 1.00 0.00 H new ATOM 0 HD11 ILE A 112 24.730 -15.467 -18.014 1.00 0.00 H new ATOM 0 HD12 ILE A 112 24.853 -16.122 -16.364 1.00 0.00 H new ATOM 0 HD13 ILE A 112 23.636 -16.769 -17.490 1.00 0.00 H new ATOM 1618 N PRO A 113 19.896 -13.196 -16.406 1.00 0.00 N ATOM 1619 CA PRO A 113 18.610 -13.004 -17.056 1.00 0.00 C ATOM 1620 C PRO A 113 18.362 -14.083 -18.111 1.00 0.00 C ATOM 1621 O PRO A 113 17.306 -14.714 -18.123 1.00 0.00 O ATOM 1622 CB PRO A 113 18.670 -11.603 -17.642 1.00 0.00 C ATOM 1623 CG PRO A 113 20.145 -11.240 -17.703 1.00 0.00 C ATOM 1624 CD PRO A 113 20.908 -12.242 -16.852 1.00 0.00 C ATOM 0 HA PRO A 113 17.772 -13.097 -16.365 1.00 0.00 H new ATOM 0 HB2 PRO A 113 18.219 -11.575 -18.634 1.00 0.00 H new ATOM 0 HB3 PRO A 113 18.119 -10.896 -17.022 1.00 0.00 H new ATOM 0 HG2 PRO A 113 20.502 -11.264 -18.733 1.00 0.00 H new ATOM 0 HG3 PRO A 113 20.304 -10.227 -17.334 1.00 0.00 H new ATOM 0 HD2 PRO A 113 21.691 -12.735 -17.428 1.00 0.00 H new ATOM 0 HD3 PRO A 113 21.393 -11.755 -16.006 1.00 0.00 H new ATOM 1632 N SER A 114 19.353 -14.263 -18.971 1.00 0.00 N ATOM 1633 CA SER A 114 19.256 -15.256 -20.028 1.00 0.00 C ATOM 1634 C SER A 114 20.654 -15.625 -20.530 1.00 0.00 C ATOM 1635 O SER A 114 21.626 -14.931 -20.235 1.00 0.00 O ATOM 1636 CB SER A 114 18.395 -14.746 -21.185 1.00 0.00 C ATOM 1637 OG SER A 114 17.255 -15.572 -21.407 1.00 0.00 O ATOM 0 H SER A 114 20.227 -13.738 -18.958 1.00 0.00 H new ATOM 0 HA SER A 114 18.777 -16.145 -19.618 1.00 0.00 H new ATOM 0 HB2 SER A 114 18.069 -13.728 -20.973 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.996 -14.706 -22.094 1.00 0.00 H new ATOM 0 HG SER A 114 16.730 -15.212 -22.152 1.00 0.00 H new ATOM 1643 N SER A 115 20.710 -16.716 -21.278 1.00 0.00 N ATOM 1644 CA SER A 115 21.972 -17.186 -21.824 1.00 0.00 C ATOM 1645 C SER A 115 21.723 -18.327 -22.812 1.00 0.00 C ATOM 1646 O SER A 115 21.649 -19.489 -22.418 1.00 0.00 O ATOM 1647 CB SER A 115 22.916 -17.645 -20.710 1.00 0.00 C ATOM 1648 OG SER A 115 24.277 -17.340 -21.004 1.00 0.00 O ATOM 0 H SER A 115 19.901 -17.289 -21.519 1.00 0.00 H new ATOM 0 HA SER A 115 22.447 -16.357 -22.349 1.00 0.00 H new ATOM 0 HB2 SER A 115 22.631 -17.166 -19.773 1.00 0.00 H new ATOM 0 HB3 SER A 115 22.809 -18.720 -20.564 1.00 0.00 H new ATOM 0 HG SER A 115 24.847 -17.647 -20.269 1.00 0.00 H new ATOM 1654 N GLY A 116 21.601 -17.954 -24.078 1.00 0.00 N ATOM 1655 CA GLY A 116 21.363 -18.931 -25.126 1.00 0.00 C ATOM 1656 C GLY A 116 20.052 -19.683 -24.886 1.00 0.00 C ATOM 1657 O GLY A 116 19.946 -20.470 -23.947 1.00 0.00 O ATOM 0 H GLY A 116 21.663 -16.988 -24.401 1.00 0.00 H new ATOM 0 HA2 GLY A 116 21.328 -18.431 -26.094 1.00 0.00 H new ATOM 0 HA3 GLY A 116 22.191 -19.639 -25.163 1.00 0.00 H new ATOM 1661 N SER A 117 19.085 -19.413 -25.752 1.00 0.00 N ATOM 1662 CA SER A 117 17.786 -20.055 -25.646 1.00 0.00 C ATOM 1663 C SER A 117 16.979 -19.816 -26.924 1.00 0.00 C ATOM 1664 O SER A 117 16.574 -20.765 -27.593 1.00 0.00 O ATOM 1665 CB SER A 117 17.016 -19.541 -24.428 1.00 0.00 C ATOM 1666 OG SER A 117 15.663 -19.988 -24.424 1.00 0.00 O ATOM 0 H SER A 117 19.176 -18.759 -26.529 1.00 0.00 H new ATOM 0 HA SER A 117 17.943 -21.126 -25.518 1.00 0.00 H new ATOM 0 HB2 SER A 117 17.512 -19.877 -23.517 1.00 0.00 H new ATOM 0 HB3 SER A 117 17.038 -18.451 -24.419 1.00 0.00 H new ATOM 0 HG SER A 117 15.206 -19.640 -23.630 1.00 0.00 H new ATOM 1672 N GLY A 118 16.769 -18.542 -27.223 1.00 0.00 N ATOM 1673 CA GLY A 118 16.017 -18.167 -28.409 1.00 0.00 C ATOM 1674 C GLY A 118 14.806 -17.308 -28.041 1.00 0.00 C ATOM 1675 O GLY A 118 14.373 -17.299 -26.889 1.00 0.00 O ATOM 0 H GLY A 118 17.106 -17.757 -26.665 1.00 0.00 H new ATOM 0 HA2 GLY A 118 16.662 -17.618 -29.095 1.00 0.00 H new ATOM 0 HA3 GLY A 118 15.686 -19.064 -28.933 1.00 0.00 H new ATOM 1679 N PRO A 119 14.278 -16.589 -29.067 1.00 0.00 N ATOM 1680 CA PRO A 119 13.124 -15.729 -28.863 1.00 0.00 C ATOM 1681 C PRO A 119 11.842 -16.553 -28.736 1.00 0.00 C ATOM 1682 O PRO A 119 11.436 -17.226 -29.682 1.00 0.00 O ATOM 1683 CB PRO A 119 13.113 -14.794 -30.062 1.00 0.00 C ATOM 1684 CG PRO A 119 13.978 -15.462 -31.119 1.00 0.00 C ATOM 1685 CD PRO A 119 14.763 -16.575 -30.444 1.00 0.00 C ATOM 0 HA PRO A 119 13.181 -15.162 -27.934 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.098 -14.640 -30.428 1.00 0.00 H new ATOM 0 HB3 PRO A 119 13.508 -13.813 -29.796 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.359 -15.864 -31.921 1.00 0.00 H new ATOM 0 HG3 PRO A 119 14.655 -14.738 -31.572 1.00 0.00 H new ATOM 0 HD2 PRO A 119 14.592 -17.534 -30.934 1.00 0.00 H new ATOM 0 HD3 PRO A 119 15.835 -16.384 -30.484 1.00 0.00 H new ATOM 1693 N SER A 120 11.239 -16.473 -27.559 1.00 0.00 N ATOM 1694 CA SER A 120 10.011 -17.203 -27.295 1.00 0.00 C ATOM 1695 C SER A 120 9.092 -16.374 -26.396 1.00 0.00 C ATOM 1696 O SER A 120 9.184 -16.449 -25.171 1.00 0.00 O ATOM 1697 CB SER A 120 10.304 -18.559 -26.649 1.00 0.00 C ATOM 1698 OG SER A 120 9.170 -19.421 -26.680 1.00 0.00 O ATOM 0 H SER A 120 11.578 -15.913 -26.777 1.00 0.00 H new ATOM 0 HA SER A 120 9.510 -17.385 -28.246 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.136 -19.035 -27.168 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.617 -18.408 -25.616 1.00 0.00 H new ATOM 0 HG SER A 120 9.398 -20.277 -26.260 1.00 0.00 H new ATOM 1704 N SER A 121 8.227 -15.603 -27.038 1.00 0.00 N ATOM 1705 CA SER A 121 7.292 -14.761 -26.311 1.00 0.00 C ATOM 1706 C SER A 121 6.247 -14.189 -27.272 1.00 0.00 C ATOM 1707 O SER A 121 6.590 -13.698 -28.346 1.00 0.00 O ATOM 1708 CB SER A 121 8.021 -13.629 -25.584 1.00 0.00 C ATOM 1709 OG SER A 121 7.770 -13.647 -24.181 1.00 0.00 O ATOM 0 H SER A 121 8.154 -15.544 -28.054 1.00 0.00 H new ATOM 0 HA SER A 121 6.791 -15.374 -25.562 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.093 -13.715 -25.762 1.00 0.00 H new ATOM 0 HB3 SER A 121 7.705 -12.671 -25.997 1.00 0.00 H new ATOM 0 HG SER A 121 8.254 -12.910 -23.753 1.00 0.00 H new ATOM 1715 N GLY A 122 4.994 -14.271 -26.850 1.00 0.00 N ATOM 1716 CA GLY A 122 3.897 -13.767 -27.659 1.00 0.00 C ATOM 1717 C GLY A 122 2.576 -14.430 -27.264 1.00 0.00 C ATOM 1718 O GLY A 122 2.360 -15.608 -27.544 1.00 0.00 O ATOM 0 H GLY A 122 4.714 -14.679 -25.958 1.00 0.00 H new ATOM 0 HA2 GLY A 122 3.817 -12.687 -27.537 1.00 0.00 H new ATOM 0 HA3 GLY A 122 4.101 -13.955 -28.713 1.00 0.00 H new TER 1722 GLY A 122