USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 938 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 91 SER OG : rot 180:sc= 0.739 USER MOD Set 1.2: A 100 THR OG1 : rot -99:sc= 0.796 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0921) USER MOD Single : A 3 HIS : no HD1:sc=-0.00722 X(o=-0.0072,f=-0.0072) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 5 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.022) USER MOD Single : A 6 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.082) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.33) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.162 F(o=-1.2,f=-0.16) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 13 LYS NZ :NH3+ -155:sc= 1.25 (180deg=1.18) USER MOD Single : A 17 MET CE :methyl 168:sc= 0 (180deg=-0.203) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.496 K(o=-0.5,f=-2.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 2.25 (180deg=1.66) USER MOD Single : A 26 LYS NZ :NH3+ 134:sc= -0.86 (180deg=-2.63!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -134:sc= -0.0703 (180deg=-0.461) USER MOD Single : A 37 CYS SG : rot -160:sc= -0.309 USER MOD Single : A 38 GLN : amide:sc= -0.927 K(o=-0.93,f=-1.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.9) USER MOD Single : A 53 ASN : amide:sc= -0.0891 X(o=-0.089,f=0) USER MOD Single : A 55 MET CE :methyl -157:sc= -2.47! (180deg=-3.26!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.88 K(o=-0.88,f=-3.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 64 SER OG : rot 180:sc= -0.449 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.5! C(o=-1.5!,f=-3.3!) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.115 F(o=-0.7,f=-0.11) USER MOD Single : A 70 THR OG1 : rot -42:sc= 0.515 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.0073) USER MOD Single : A 82 LYS NZ :NH3+ -134:sc= 1.09 (180deg=-1.09!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.42! C(o=-2.4!,f=-7.1!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.528 USER MOD Single : A 101 CYS SG : rot -150:sc= -0.577! USER MOD Single : A 102 ASN : amide:sc= -0.392 K(o=-0.39,f=-4.7!) USER MOD Single : A 103 THR OG1 : rot -172:sc= -1.12 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.3) USER MOD Single : A 113 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 114 THR OG1 : rot 37:sc= 0.62 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.093 -41.696 13.378 1.00 52.34 N ATOM 2 CA MET A 1 20.753 -41.056 13.406 1.00 41.30 C ATOM 3 C MET A 1 20.819 -39.597 12.934 1.00 70.42 C ATOM 4 O MET A 1 21.136 -38.693 13.713 1.00 72.22 O ATOM 5 CB MET A 1 20.157 -41.124 14.821 1.00 31.11 C ATOM 6 CG MET A 1 19.916 -42.545 15.314 1.00 31.24 C ATOM 7 SD MET A 1 18.801 -43.462 14.232 1.00 1.44 S ATOM 8 CE MET A 1 18.717 -45.037 15.079 1.00 4.32 C ATOM 0 H1 MET A 1 21.996 -42.713 13.571 1.00 52.34 H new ATOM 0 H2 MET A 1 22.523 -41.561 12.441 1.00 52.34 H new ATOM 0 H3 MET A 1 22.700 -41.263 14.103 1.00 52.34 H new ATOM 0 HA MET A 1 20.109 -41.605 12.719 1.00 41.30 H new ATOM 0 HB2 MET A 1 20.829 -40.617 15.514 1.00 31.11 H new ATOM 0 HB3 MET A 1 19.213 -40.579 14.835 1.00 31.11 H new ATOM 0 HG2 MET A 1 20.868 -43.071 15.381 1.00 31.24 H new ATOM 0 HG3 MET A 1 19.498 -42.513 16.320 1.00 31.24 H new ATOM 0 HE1 MET A 1 18.062 -45.712 14.528 1.00 4.32 H new ATOM 0 HE2 MET A 1 19.715 -45.470 15.141 1.00 4.32 H new ATOM 0 HE3 MET A 1 18.322 -44.889 16.084 1.00 4.32 H new ATOM 20 N GLY A 2 20.543 -39.372 11.655 1.00 45.33 N ATOM 21 CA GLY A 2 20.541 -38.019 11.111 1.00 53.43 C ATOM 22 C GLY A 2 19.226 -37.278 11.350 1.00 3.24 C ATOM 23 O GLY A 2 18.177 -37.898 11.527 1.00 22.35 O ATOM 0 H GLY A 2 20.319 -40.103 10.979 1.00 45.33 H new ATOM 0 HA2 GLY A 2 21.357 -37.452 11.560 1.00 53.43 H new ATOM 0 HA3 GLY A 2 20.736 -38.064 10.040 1.00 53.43 H new ATOM 27 N HIS A 3 19.282 -35.949 11.363 1.00 55.32 N ATOM 28 CA HIS A 3 18.086 -35.116 11.540 1.00 70.34 C ATOM 29 C HIS A 3 18.089 -33.936 10.555 1.00 22.21 C ATOM 30 O HIS A 3 18.850 -32.981 10.713 1.00 0.20 O ATOM 31 CB HIS A 3 17.994 -34.605 12.986 1.00 32.25 C ATOM 32 CG HIS A 3 17.879 -35.699 14.008 1.00 3.44 C ATOM 33 ND1 HIS A 3 16.695 -36.345 14.291 1.00 73.34 N ATOM 34 CD2 HIS A 3 18.809 -36.265 14.816 1.00 63.11 C ATOM 35 CE1 HIS A 3 16.899 -37.253 15.221 1.00 11.35 C ATOM 36 NE2 HIS A 3 18.171 -37.226 15.561 1.00 33.01 N ATOM 0 H HIS A 3 20.146 -35.419 11.253 1.00 55.32 H new ATOM 0 HA HIS A 3 17.211 -35.732 11.332 1.00 70.34 H new ATOM 0 HB2 HIS A 3 18.877 -34.005 13.207 1.00 32.25 H new ATOM 0 HB3 HIS A 3 17.131 -33.945 13.074 1.00 32.25 H new ATOM 0 HD2 HIS A 3 19.857 -36.008 14.865 1.00 63.11 H new ATOM 0 HE1 HIS A 3 16.149 -37.910 15.636 1.00 11.35 H new ATOM 0 HE2 HIS A 3 18.610 -37.822 16.263 1.00 33.01 H new ATOM 45 N HIS A 4 17.232 -34.010 9.542 1.00 1.43 N ATOM 46 CA HIS A 4 17.176 -32.999 8.478 1.00 42.41 C ATOM 47 C HIS A 4 16.280 -31.809 8.882 1.00 41.34 C ATOM 48 O HIS A 4 15.054 -31.921 8.896 1.00 63.22 O ATOM 49 CB HIS A 4 16.653 -33.657 7.193 1.00 22.44 C ATOM 50 CG HIS A 4 16.692 -32.781 5.976 1.00 0.11 C ATOM 51 ND1 HIS A 4 15.637 -31.988 5.578 1.00 41.24 N ATOM 52 CD2 HIS A 4 17.660 -32.603 5.047 1.00 33.32 C ATOM 53 CE1 HIS A 4 15.951 -31.368 4.460 1.00 2.02 C ATOM 54 NE2 HIS A 4 17.171 -31.721 4.116 1.00 12.43 N ATOM 0 H HIS A 4 16.557 -34.767 9.430 1.00 1.43 H new ATOM 0 HA HIS A 4 18.179 -32.606 8.308 1.00 42.41 H new ATOM 0 HB2 HIS A 4 17.240 -34.554 6.996 1.00 22.44 H new ATOM 0 HB3 HIS A 4 15.625 -33.979 7.359 1.00 22.44 H new ATOM 0 HD2 HIS A 4 18.635 -33.068 5.040 1.00 33.32 H new ATOM 0 HE1 HIS A 4 15.315 -30.685 3.917 1.00 2.02 H new ATOM 0 HE2 HIS A 4 17.672 -31.392 3.291 1.00 12.43 H new ATOM 63 N HIS A 5 16.894 -30.672 9.209 1.00 12.24 N ATOM 64 CA HIS A 5 16.145 -29.483 9.646 1.00 62.33 C ATOM 65 C HIS A 5 16.859 -28.174 9.268 1.00 53.12 C ATOM 66 O HIS A 5 18.028 -27.976 9.590 1.00 51.03 O ATOM 67 CB HIS A 5 15.899 -29.539 11.164 1.00 5.52 C ATOM 68 CG HIS A 5 17.125 -29.842 11.986 1.00 2.32 C ATOM 69 ND1 HIS A 5 17.305 -31.035 12.653 1.00 54.14 N ATOM 70 CD2 HIS A 5 18.227 -29.098 12.262 1.00 10.50 C ATOM 71 CE1 HIS A 5 18.455 -31.012 13.299 1.00 22.41 C ATOM 72 NE2 HIS A 5 19.032 -29.854 13.077 1.00 10.12 N ATOM 0 H HIS A 5 17.906 -30.544 9.181 1.00 12.24 H new ATOM 0 HA HIS A 5 15.188 -29.491 9.124 1.00 62.33 H new ATOM 0 HB2 HIS A 5 15.487 -28.583 11.488 1.00 5.52 H new ATOM 0 HB3 HIS A 5 15.143 -30.297 11.369 1.00 5.52 H new ATOM 0 HD2 HIS A 5 18.432 -28.099 11.907 1.00 10.50 H new ATOM 0 HE1 HIS A 5 18.854 -31.810 13.907 1.00 22.41 H new ATOM 0 HE2 HIS A 5 19.935 -29.562 13.451 1.00 10.12 H new ATOM 81 N HIS A 6 16.142 -27.274 8.594 1.00 41.15 N ATOM 82 CA HIS A 6 16.697 -25.961 8.225 1.00 21.01 C ATOM 83 C HIS A 6 16.436 -24.909 9.324 1.00 72.50 C ATOM 84 O HIS A 6 15.826 -23.865 9.083 1.00 50.35 O ATOM 85 CB HIS A 6 16.147 -25.492 6.863 1.00 53.02 C ATOM 86 CG HIS A 6 14.652 -25.566 6.721 1.00 53.45 C ATOM 87 ND1 HIS A 6 14.026 -26.380 5.800 1.00 62.12 N ATOM 88 CD2 HIS A 6 13.658 -24.905 7.366 1.00 53.10 C ATOM 89 CE1 HIS A 6 12.722 -26.217 5.884 1.00 41.12 C ATOM 90 NE2 HIS A 6 12.472 -25.331 6.824 1.00 13.12 N ATOM 0 H HIS A 6 15.180 -27.424 8.291 1.00 41.15 H new ATOM 0 HA HIS A 6 17.777 -26.073 8.130 1.00 21.01 H new ATOM 0 HB2 HIS A 6 16.462 -24.462 6.696 1.00 53.02 H new ATOM 0 HB3 HIS A 6 16.602 -26.095 6.077 1.00 53.02 H new ATOM 0 HD2 HIS A 6 13.778 -24.180 8.157 1.00 53.10 H new ATOM 0 HE1 HIS A 6 11.982 -26.725 5.283 1.00 41.12 H new ATOM 0 HE2 HIS A 6 11.545 -25.012 7.105 1.00 13.12 H new ATOM 99 N HIS A 7 16.898 -25.212 10.536 1.00 33.03 N ATOM 100 CA HIS A 7 16.794 -24.299 11.685 1.00 4.42 C ATOM 101 C HIS A 7 18.031 -24.423 12.588 1.00 13.34 C ATOM 102 O HIS A 7 18.773 -25.401 12.493 1.00 73.23 O ATOM 103 CB HIS A 7 15.514 -24.566 12.495 1.00 72.53 C ATOM 104 CG HIS A 7 14.290 -23.923 11.912 1.00 53.12 C ATOM 105 ND1 HIS A 7 13.897 -22.642 12.230 1.00 41.22 N ATOM 106 CD2 HIS A 7 13.370 -24.381 11.028 1.00 65.44 C ATOM 107 CE1 HIS A 7 12.797 -22.341 11.574 1.00 41.32 C ATOM 108 NE2 HIS A 7 12.454 -23.376 10.838 1.00 22.33 N ATOM 0 H HIS A 7 17.356 -26.097 10.755 1.00 33.03 H new ATOM 0 HA HIS A 7 16.743 -23.282 11.297 1.00 4.42 H new ATOM 0 HB2 HIS A 7 15.353 -25.642 12.560 1.00 72.53 H new ATOM 0 HB3 HIS A 7 15.656 -24.203 13.513 1.00 72.53 H new ATOM 0 HD2 HIS A 7 13.360 -25.355 10.561 1.00 65.44 H new ATOM 0 HE1 HIS A 7 12.265 -21.403 11.630 1.00 41.32 H new ATOM 0 HE2 HIS A 7 11.640 -23.424 10.226 1.00 22.33 H new ATOM 117 N HIS A 8 18.237 -23.426 13.461 1.00 31.32 N ATOM 118 CA HIS A 8 19.458 -23.326 14.286 1.00 2.10 C ATOM 119 C HIS A 8 20.687 -22.990 13.410 1.00 14.03 C ATOM 120 O HIS A 8 21.812 -22.883 13.899 1.00 34.13 O ATOM 121 CB HIS A 8 19.677 -24.627 15.089 1.00 64.21 C ATOM 122 CG HIS A 8 20.900 -24.634 15.959 1.00 23.11 C ATOM 123 ND1 HIS A 8 20.955 -24.022 17.191 1.00 1.43 N ATOM 124 CD2 HIS A 8 22.121 -25.194 15.770 1.00 62.32 C ATOM 125 CE1 HIS A 8 22.148 -24.201 17.719 1.00 12.15 C ATOM 126 NE2 HIS A 8 22.876 -24.908 16.880 1.00 63.03 N ATOM 0 H HIS A 8 17.570 -22.670 13.617 1.00 31.32 H new ATOM 0 HA HIS A 8 19.329 -22.511 14.998 1.00 2.10 H new ATOM 0 HB2 HIS A 8 18.802 -24.802 15.715 1.00 64.21 H new ATOM 0 HB3 HIS A 8 19.741 -25.461 14.391 1.00 64.21 H new ATOM 0 HD2 HIS A 8 22.440 -25.760 14.907 1.00 62.32 H new ATOM 0 HE1 HIS A 8 22.475 -23.830 18.679 1.00 12.15 H new ATOM 0 HE2 HIS A 8 23.843 -25.196 17.030 1.00 63.03 H new ATOM 135 N SER A 9 20.445 -22.798 12.112 1.00 73.33 N ATOM 136 CA SER A 9 21.503 -22.478 11.145 1.00 22.20 C ATOM 137 C SER A 9 22.148 -21.116 11.443 1.00 5.13 C ATOM 138 O SER A 9 21.546 -20.261 12.097 1.00 32.24 O ATOM 139 CB SER A 9 20.930 -22.470 9.719 1.00 35.03 C ATOM 140 OG SER A 9 20.221 -23.668 9.438 1.00 24.00 O ATOM 0 H SER A 9 19.514 -22.859 11.700 1.00 73.33 H new ATOM 0 HA SER A 9 22.271 -23.247 11.231 1.00 22.20 H new ATOM 0 HB2 SER A 9 20.265 -21.615 9.597 1.00 35.03 H new ATOM 0 HB3 SER A 9 21.740 -22.348 9.000 1.00 35.03 H new ATOM 0 HG SER A 9 19.867 -23.632 8.525 1.00 24.00 H new ATOM 146 N HIS A 10 23.367 -20.920 10.937 1.00 32.22 N ATOM 147 CA HIS A 10 24.140 -19.692 11.184 1.00 53.15 C ATOM 148 C HIS A 10 23.330 -18.412 10.898 1.00 21.03 C ATOM 149 O HIS A 10 23.450 -17.423 11.622 1.00 4.30 O ATOM 150 CB HIS A 10 25.420 -19.703 10.335 1.00 1.12 C ATOM 151 CG HIS A 10 26.370 -18.582 10.645 1.00 62.13 C ATOM 152 ND1 HIS A 10 26.638 -17.431 9.981 1.00 35.33 N flip ATOM 153 CD2 HIS A 10 27.185 -18.571 11.756 1.00 73.34 C flip ATOM 154 CE1 HIS A 10 27.597 -16.759 10.698 1.00 34.31 C flip ATOM 155 NE2 HIS A 10 27.907 -17.468 11.762 1.00 20.45 N flip ATOM 0 H HIS A 10 23.847 -21.600 10.348 1.00 32.22 H new ATOM 0 HA HIS A 10 24.394 -19.679 12.244 1.00 53.15 H new ATOM 0 HB2 HIS A 10 25.934 -20.653 10.484 1.00 1.12 H new ATOM 0 HB3 HIS A 10 25.145 -19.651 9.282 1.00 1.12 H new ATOM 0 HD2 HIS A 10 27.226 -19.347 12.506 1.00 73.34 H new ATOM 0 HE1 HIS A 10 28.027 -15.804 10.432 1.00 34.31 H new ATOM 0 HE2 HIS A 10 28.591 -17.208 12.472 1.00 20.45 H new ATOM 164 N GLU A 11 22.512 -18.432 9.844 1.00 64.11 N ATOM 165 CA GLU A 11 21.712 -17.258 9.458 1.00 21.51 C ATOM 166 C GLU A 11 20.260 -17.638 9.131 1.00 40.32 C ATOM 167 O GLU A 11 19.996 -18.680 8.533 1.00 54.35 O ATOM 168 CB GLU A 11 22.364 -16.547 8.263 1.00 60.55 C ATOM 169 CG GLU A 11 23.761 -16.014 8.570 1.00 1.42 C ATOM 170 CD GLU A 11 24.345 -15.182 7.446 1.00 31.12 C ATOM 171 OE1 GLU A 11 23.864 -14.052 7.231 1.00 40.13 O ATOM 172 OE2 GLU A 11 25.306 -15.638 6.789 1.00 45.32 O ATOM 0 H GLU A 11 22.383 -19.244 9.241 1.00 64.11 H new ATOM 0 HA GLU A 11 21.685 -16.578 10.310 1.00 21.51 H new ATOM 0 HB2 GLU A 11 22.423 -17.240 7.424 1.00 60.55 H new ATOM 0 HB3 GLU A 11 21.727 -15.720 7.949 1.00 60.55 H new ATOM 0 HG2 GLU A 11 23.721 -15.410 9.477 1.00 1.42 H new ATOM 0 HG3 GLU A 11 24.426 -16.853 8.775 1.00 1.42 H new ATOM 179 N HIS A 12 19.319 -16.784 9.540 1.00 61.53 N ATOM 180 CA HIS A 12 17.883 -17.058 9.375 1.00 63.00 C ATOM 181 C HIS A 12 17.252 -16.165 8.293 1.00 31.10 C ATOM 182 O HIS A 12 17.222 -14.942 8.426 1.00 31.53 O ATOM 183 CB HIS A 12 17.155 -16.839 10.709 1.00 34.45 C ATOM 184 CG HIS A 12 17.897 -17.392 11.886 1.00 44.15 C ATOM 185 ND1 HIS A 12 18.341 -16.608 12.925 1.00 14.14 N ATOM 186 CD2 HIS A 12 18.295 -18.655 12.176 1.00 24.24 C ATOM 187 CE1 HIS A 12 18.980 -17.358 13.798 1.00 33.52 C ATOM 188 NE2 HIS A 12 18.969 -18.604 13.372 1.00 31.33 N ATOM 0 H HIS A 12 19.524 -15.892 9.990 1.00 61.53 H new ATOM 0 HA HIS A 12 17.778 -18.096 9.058 1.00 63.00 H new ATOM 0 HB2 HIS A 12 16.996 -15.771 10.857 1.00 34.45 H new ATOM 0 HB3 HIS A 12 16.170 -17.303 10.658 1.00 34.45 H new ATOM 0 HD2 HIS A 12 18.116 -19.537 11.578 1.00 24.24 H new ATOM 0 HE1 HIS A 12 19.437 -17.009 14.712 1.00 33.52 H new ATOM 0 HE2 HIS A 12 19.391 -19.400 13.851 1.00 31.33 H new ATOM 197 N LYS A 13 16.751 -16.781 7.224 1.00 70.15 N ATOM 198 CA LYS A 13 16.045 -16.051 6.161 1.00 50.21 C ATOM 199 C LYS A 13 14.574 -16.488 6.083 1.00 73.43 C ATOM 200 O LYS A 13 14.266 -17.679 6.166 1.00 34.42 O ATOM 201 CB LYS A 13 16.718 -16.294 4.803 1.00 23.24 C ATOM 202 CG LYS A 13 18.182 -15.869 4.739 1.00 34.34 C ATOM 203 CD LYS A 13 18.784 -16.183 3.373 1.00 23.43 C ATOM 204 CE LYS A 13 20.283 -15.911 3.324 1.00 52.34 C ATOM 205 NZ LYS A 13 20.612 -14.475 3.530 1.00 5.44 N ATOM 0 H LYS A 13 16.819 -17.786 7.066 1.00 70.15 H new ATOM 0 HA LYS A 13 16.089 -14.989 6.401 1.00 50.21 H new ATOM 0 HB2 LYS A 13 16.650 -17.355 4.562 1.00 23.24 H new ATOM 0 HB3 LYS A 13 16.162 -15.756 4.035 1.00 23.24 H new ATOM 0 HG2 LYS A 13 18.263 -14.801 4.939 1.00 34.34 H new ATOM 0 HG3 LYS A 13 18.748 -16.383 5.516 1.00 34.34 H new ATOM 0 HD2 LYS A 13 18.599 -17.229 3.129 1.00 23.43 H new ATOM 0 HD3 LYS A 13 18.283 -15.585 2.612 1.00 23.43 H new ATOM 0 HE2 LYS A 13 20.782 -16.507 4.088 1.00 52.34 H new ATOM 0 HE3 LYS A 13 20.676 -16.235 2.360 1.00 52.34 H new ATOM 0 HZ1 LYS A 13 21.529 -14.262 3.087 1.00 5.44 H new ATOM 0 HZ2 LYS A 13 19.873 -13.884 3.098 1.00 5.44 H new ATOM 0 HZ3 LYS A 13 20.665 -14.274 4.549 1.00 5.44 H new ATOM 219 N ARG A 14 13.668 -15.527 5.912 1.00 64.10 N ATOM 220 CA ARG A 14 12.238 -15.830 5.773 1.00 32.13 C ATOM 221 C ARG A 14 11.620 -15.090 4.578 1.00 41.25 C ATOM 222 O ARG A 14 11.685 -13.862 4.492 1.00 22.55 O ATOM 223 CB ARG A 14 11.475 -15.489 7.061 1.00 52.24 C ATOM 224 CG ARG A 14 9.971 -15.742 6.953 1.00 61.53 C ATOM 225 CD ARG A 14 9.332 -16.016 8.309 1.00 10.40 C ATOM 226 NE ARG A 14 9.452 -14.890 9.233 1.00 15.41 N ATOM 227 CZ ARG A 14 9.429 -15.013 10.534 1.00 23.04 C ATOM 228 NH1 ARG A 14 9.253 -16.172 11.085 1.00 14.43 N ATOM 229 NH2 ARG A 14 9.553 -13.972 11.286 1.00 61.10 N ATOM 0 H ARG A 14 13.894 -14.533 5.866 1.00 64.10 H new ATOM 0 HA ARG A 14 12.150 -16.901 5.590 1.00 32.13 H new ATOM 0 HB2 ARG A 14 11.879 -16.081 7.883 1.00 52.24 H new ATOM 0 HB3 ARG A 14 11.644 -14.441 7.310 1.00 52.24 H new ATOM 0 HG2 ARG A 14 9.491 -14.877 6.496 1.00 61.53 H new ATOM 0 HG3 ARG A 14 9.794 -16.591 6.292 1.00 61.53 H new ATOM 0 HD2 ARG A 14 8.277 -16.252 8.167 1.00 10.40 H new ATOM 0 HD3 ARG A 14 9.798 -16.895 8.753 1.00 10.40 H new ATOM 0 HE ARG A 14 9.560 -13.955 8.840 1.00 15.41 H new ATOM 0 HH11 ARG A 14 9.131 -17.000 10.502 1.00 14.43 H new ATOM 0 HH12 ARG A 14 9.237 -16.256 12.101 1.00 14.43 H new ATOM 0 HH21 ARG A 14 9.669 -13.050 10.865 1.00 61.10 H new ATOM 0 HH22 ARG A 14 9.535 -14.071 12.301 1.00 61.10 H new ATOM 243 N ALA A 15 11.022 -15.851 3.662 1.00 40.24 N ATOM 244 CA ALA A 15 10.379 -15.283 2.473 1.00 2.24 C ATOM 245 C ALA A 15 9.115 -14.488 2.842 1.00 43.42 C ATOM 246 O ALA A 15 8.331 -14.914 3.696 1.00 41.32 O ATOM 247 CB ALA A 15 10.040 -16.393 1.483 1.00 72.14 C ATOM 0 H ALA A 15 10.968 -16.868 3.720 1.00 40.24 H new ATOM 0 HA ALA A 15 11.080 -14.590 2.008 1.00 2.24 H new ATOM 0 HB1 ALA A 15 9.563 -15.962 0.603 1.00 72.14 H new ATOM 0 HB2 ALA A 15 10.954 -16.907 1.185 1.00 72.14 H new ATOM 0 HB3 ALA A 15 9.361 -17.104 1.953 1.00 72.14 H new ATOM 253 N PRO A 16 8.895 -13.323 2.195 1.00 4.50 N ATOM 254 CA PRO A 16 7.749 -12.448 2.494 1.00 70.55 C ATOM 255 C PRO A 16 6.393 -13.092 2.170 1.00 40.13 C ATOM 256 O PRO A 16 6.244 -13.794 1.165 1.00 62.24 O ATOM 257 CB PRO A 16 7.997 -11.220 1.603 1.00 13.21 C ATOM 258 CG PRO A 16 8.859 -11.724 0.499 1.00 14.11 C ATOM 259 CD PRO A 16 9.745 -12.761 1.131 1.00 54.33 C ATOM 0 HA PRO A 16 7.688 -12.218 3.558 1.00 70.55 H new ATOM 0 HB2 PRO A 16 7.061 -10.812 1.221 1.00 13.21 H new ATOM 0 HB3 PRO A 16 8.490 -10.421 2.157 1.00 13.21 H new ATOM 0 HG2 PRO A 16 8.260 -12.155 -0.303 1.00 14.11 H new ATOM 0 HG3 PRO A 16 9.447 -10.918 0.060 1.00 14.11 H new ATOM 0 HD2 PRO A 16 10.049 -13.523 0.413 1.00 54.33 H new ATOM 0 HD3 PRO A 16 10.657 -12.321 1.534 1.00 54.33 H new ATOM 267 N MET A 17 5.407 -12.835 3.027 1.00 55.31 N ATOM 268 CA MET A 17 4.060 -13.391 2.864 1.00 24.53 C ATOM 269 C MET A 17 2.989 -12.417 3.377 1.00 65.33 C ATOM 270 O MET A 17 3.044 -11.972 4.526 1.00 30.34 O ATOM 271 CB MET A 17 3.964 -14.733 3.613 1.00 43.24 C ATOM 272 CG MET A 17 2.542 -15.255 3.794 1.00 71.34 C ATOM 273 SD MET A 17 1.647 -15.408 2.237 1.00 71.24 S ATOM 274 CE MET A 17 0.057 -15.984 2.834 1.00 23.12 C ATOM 0 H MET A 17 5.515 -12.240 3.849 1.00 55.31 H new ATOM 0 HA MET A 17 3.879 -13.553 1.801 1.00 24.53 H new ATOM 0 HB2 MET A 17 4.546 -15.479 3.072 1.00 43.24 H new ATOM 0 HB3 MET A 17 4.424 -14.621 4.595 1.00 43.24 H new ATOM 0 HG2 MET A 17 2.577 -16.228 4.284 1.00 71.34 H new ATOM 0 HG3 MET A 17 1.996 -14.584 4.457 1.00 71.34 H new ATOM 0 HE1 MET A 17 -0.676 -15.926 2.030 1.00 23.12 H new ATOM 0 HE2 MET A 17 0.147 -17.017 3.170 1.00 23.12 H new ATOM 0 HE3 MET A 17 -0.267 -15.359 3.666 1.00 23.12 H new ATOM 284 N PHE A 18 2.023 -12.079 2.516 1.00 32.35 N ATOM 285 CA PHE A 18 0.885 -11.244 2.922 1.00 64.40 C ATOM 286 C PHE A 18 -0.090 -12.033 3.806 1.00 1.31 C ATOM 287 O PHE A 18 -0.847 -12.879 3.321 1.00 74.11 O ATOM 288 CB PHE A 18 0.137 -10.695 1.694 1.00 1.14 C ATOM 289 CG PHE A 18 0.828 -9.539 1.010 1.00 45.20 C ATOM 290 CD1 PHE A 18 0.577 -8.232 1.407 1.00 41.11 C ATOM 291 CD2 PHE A 18 1.715 -9.756 -0.034 1.00 22.12 C ATOM 292 CE1 PHE A 18 1.195 -7.169 0.778 1.00 53.24 C ATOM 293 CE2 PHE A 18 2.336 -8.695 -0.664 1.00 33.13 C ATOM 294 CZ PHE A 18 2.077 -7.402 -0.260 1.00 52.22 C ATOM 0 H PHE A 18 2.005 -12.369 1.538 1.00 32.35 H new ATOM 0 HA PHE A 18 1.284 -10.408 3.496 1.00 64.40 H new ATOM 0 HB2 PHE A 18 0.005 -11.502 0.973 1.00 1.14 H new ATOM 0 HB3 PHE A 18 -0.859 -10.377 2.002 1.00 1.14 H new ATOM 0 HD1 PHE A 18 -0.111 -8.044 2.218 1.00 41.11 H new ATOM 0 HD2 PHE A 18 1.922 -10.765 -0.358 1.00 22.12 H new ATOM 0 HE1 PHE A 18 0.989 -6.158 1.097 1.00 53.24 H new ATOM 0 HE2 PHE A 18 3.026 -8.878 -1.475 1.00 33.13 H new ATOM 0 HZ PHE A 18 2.563 -6.573 -0.754 1.00 52.22 H new ATOM 304 N ILE A 19 -0.068 -11.748 5.103 1.00 50.21 N ATOM 305 CA ILE A 19 -0.970 -12.400 6.057 1.00 10.12 C ATOM 306 C ILE A 19 -2.393 -11.835 5.931 1.00 42.32 C ATOM 307 O ILE A 19 -3.385 -12.557 6.037 1.00 5.40 O ATOM 308 CB ILE A 19 -0.468 -12.212 7.510 1.00 34.22 C ATOM 309 CG1 ILE A 19 1.022 -12.585 7.612 1.00 52.23 C ATOM 310 CG2 ILE A 19 -1.303 -13.054 8.476 1.00 15.41 C ATOM 311 CD1 ILE A 19 1.630 -12.323 8.975 1.00 43.35 C ATOM 0 H ILE A 19 0.565 -11.068 5.523 1.00 50.21 H new ATOM 0 HA ILE A 19 -0.985 -13.464 5.823 1.00 10.12 H new ATOM 0 HB ILE A 19 -0.580 -11.163 7.786 1.00 34.22 H new ATOM 0 HG12 ILE A 19 1.139 -13.641 7.370 1.00 52.23 H new ATOM 0 HG13 ILE A 19 1.579 -12.023 6.863 1.00 52.23 H new ATOM 0 HG21 ILE A 19 -0.938 -12.911 9.493 1.00 15.41 H new ATOM 0 HG22 ILE A 19 -2.347 -12.745 8.419 1.00 15.41 H new ATOM 0 HG23 ILE A 19 -1.221 -14.107 8.206 1.00 15.41 H new ATOM 0 HD11 ILE A 19 2.681 -12.612 8.966 1.00 43.35 H new ATOM 0 HD12 ILE A 19 1.547 -11.263 9.213 1.00 43.35 H new ATOM 0 HD13 ILE A 19 1.100 -12.906 9.728 1.00 43.35 H new ATOM 323 N TYR A 20 -2.474 -10.528 5.690 1.00 44.23 N ATOM 324 CA TYR A 20 -3.756 -9.837 5.515 1.00 73.22 C ATOM 325 C TYR A 20 -3.713 -8.925 4.283 1.00 50.45 C ATOM 326 O TYR A 20 -2.674 -8.343 3.971 1.00 0.13 O ATOM 327 CB TYR A 20 -4.086 -8.975 6.745 1.00 72.45 C ATOM 328 CG TYR A 20 -4.128 -9.727 8.064 1.00 31.32 C ATOM 329 CD1 TYR A 20 -5.217 -10.524 8.403 1.00 11.14 C ATOM 330 CD2 TYR A 20 -3.087 -9.619 8.979 1.00 2.53 C ATOM 331 CE1 TYR A 20 -5.268 -11.184 9.617 1.00 52.14 C ATOM 332 CE2 TYR A 20 -3.128 -10.283 10.190 1.00 24.33 C ATOM 333 CZ TYR A 20 -4.220 -11.064 10.503 1.00 71.11 C ATOM 334 OH TYR A 20 -4.271 -11.710 11.719 1.00 60.44 O ATOM 0 H TYR A 20 -1.660 -9.919 5.610 1.00 44.23 H new ATOM 0 HA TYR A 20 -4.523 -10.601 5.386 1.00 73.22 H new ATOM 0 HB2 TYR A 20 -3.345 -8.179 6.821 1.00 72.45 H new ATOM 0 HB3 TYR A 20 -5.052 -8.497 6.586 1.00 72.45 H new ATOM 0 HD1 TYR A 20 -6.036 -10.629 7.707 1.00 11.14 H new ATOM 0 HD2 TYR A 20 -2.231 -9.005 8.739 1.00 2.53 H new ATOM 0 HE1 TYR A 20 -6.125 -11.791 9.869 1.00 52.14 H new ATOM 0 HE2 TYR A 20 -2.309 -10.191 10.888 1.00 24.33 H new ATOM 0 HH TYR A 20 -3.452 -11.522 12.224 1.00 60.44 H new ATOM 344 N LYS A 21 -4.836 -8.815 3.583 1.00 13.32 N ATOM 345 CA LYS A 21 -4.983 -7.820 2.517 1.00 24.34 C ATOM 346 C LYS A 21 -5.740 -6.592 3.050 1.00 64.42 C ATOM 347 O LYS A 21 -6.738 -6.737 3.757 1.00 40.14 O ATOM 348 CB LYS A 21 -5.725 -8.415 1.309 1.00 43.32 C ATOM 349 CG LYS A 21 -7.154 -8.856 1.614 1.00 20.15 C ATOM 350 CD LYS A 21 -7.878 -9.350 0.364 1.00 41.51 C ATOM 351 CE LYS A 21 -9.319 -9.750 0.666 1.00 35.42 C ATOM 352 NZ LYS A 21 -10.006 -10.314 -0.527 1.00 20.33 N ATOM 0 H LYS A 21 -5.659 -9.399 3.731 1.00 13.32 H new ATOM 0 HA LYS A 21 -3.989 -7.516 2.189 1.00 24.34 H new ATOM 0 HB2 LYS A 21 -5.747 -7.675 0.509 1.00 43.32 H new ATOM 0 HB3 LYS A 21 -5.163 -9.271 0.936 1.00 43.32 H new ATOM 0 HG2 LYS A 21 -7.137 -9.650 2.361 1.00 20.15 H new ATOM 0 HG3 LYS A 21 -7.706 -8.022 2.047 1.00 20.15 H new ATOM 0 HD2 LYS A 21 -7.869 -8.567 -0.395 1.00 41.51 H new ATOM 0 HD3 LYS A 21 -7.343 -10.204 -0.053 1.00 41.51 H new ATOM 0 HE2 LYS A 21 -9.329 -10.485 1.471 1.00 35.42 H new ATOM 0 HE3 LYS A 21 -9.869 -8.879 1.022 1.00 35.42 H new ATOM 0 HZ1 LYS A 21 -10.982 -10.572 -0.276 1.00 20.33 H new ATOM 0 HZ2 LYS A 21 -10.020 -9.605 -1.287 1.00 20.33 H new ATOM 0 HZ3 LYS A 21 -9.497 -11.160 -0.853 1.00 20.33 H new ATOM 366 N PRO A 22 -5.271 -5.367 2.738 1.00 24.42 N ATOM 367 CA PRO A 22 -5.932 -4.135 3.203 1.00 42.22 C ATOM 368 C PRO A 22 -7.359 -3.985 2.646 1.00 4.34 C ATOM 369 O PRO A 22 -7.617 -4.270 1.475 1.00 55.31 O ATOM 370 CB PRO A 22 -5.019 -3.012 2.681 1.00 12.13 C ATOM 371 CG PRO A 22 -4.225 -3.631 1.578 1.00 32.01 C ATOM 372 CD PRO A 22 -4.075 -5.086 1.923 1.00 30.12 C ATOM 0 HA PRO A 22 -6.054 -4.126 4.286 1.00 42.22 H new ATOM 0 HB2 PRO A 22 -5.603 -2.166 2.318 1.00 12.13 H new ATOM 0 HB3 PRO A 22 -4.369 -2.635 3.470 1.00 12.13 H new ATOM 0 HG2 PRO A 22 -4.732 -3.510 0.620 1.00 32.01 H new ATOM 0 HG3 PRO A 22 -3.250 -3.152 1.486 1.00 32.01 H new ATOM 0 HD2 PRO A 22 -4.041 -5.710 1.030 1.00 30.12 H new ATOM 0 HD3 PRO A 22 -3.156 -5.275 2.478 1.00 30.12 H new ATOM 380 N GLN A 23 -8.283 -3.514 3.483 1.00 34.14 N ATOM 381 CA GLN A 23 -9.686 -3.379 3.079 1.00 55.02 C ATOM 382 C GLN A 23 -9.952 -1.995 2.464 1.00 34.11 C ATOM 383 O GLN A 23 -9.370 -0.993 2.887 1.00 10.50 O ATOM 384 CB GLN A 23 -10.624 -3.612 4.279 1.00 10.24 C ATOM 385 CG GLN A 23 -10.357 -4.913 5.045 1.00 61.51 C ATOM 386 CD GLN A 23 -9.283 -4.767 6.117 1.00 4.22 C ATOM 387 OE1 GLN A 23 -8.098 -4.938 5.865 1.00 64.13 O ATOM 388 NE2 GLN A 23 -9.697 -4.453 7.331 1.00 62.45 N ATOM 0 H GLN A 23 -8.089 -3.220 4.440 1.00 34.14 H new ATOM 0 HA GLN A 23 -9.888 -4.138 2.323 1.00 55.02 H new ATOM 0 HB2 GLN A 23 -10.529 -2.773 4.968 1.00 10.24 H new ATOM 0 HB3 GLN A 23 -11.655 -3.618 3.924 1.00 10.24 H new ATOM 0 HG2 GLN A 23 -11.283 -5.250 5.511 1.00 61.51 H new ATOM 0 HG3 GLN A 23 -10.055 -5.687 4.340 1.00 61.51 H new ATOM 0 HE21 GLN A 23 -10.692 -4.317 7.511 1.00 62.45 H new ATOM 0 HE22 GLN A 23 -9.022 -4.347 8.088 1.00 62.45 H new ATOM 397 N SER A 24 -10.829 -1.951 1.465 1.00 20.40 N ATOM 398 CA SER A 24 -11.092 -0.721 0.703 1.00 63.43 C ATOM 399 C SER A 24 -12.033 0.245 1.438 1.00 74.34 C ATOM 400 O SER A 24 -13.055 -0.166 1.989 1.00 20.33 O ATOM 401 CB SER A 24 -11.704 -1.072 -0.661 1.00 62.34 C ATOM 402 OG SER A 24 -12.943 -1.758 -0.516 1.00 1.55 O ATOM 0 H SER A 24 -11.376 -2.756 1.158 1.00 20.40 H new ATOM 0 HA SER A 24 -10.133 -0.219 0.578 1.00 63.43 H new ATOM 0 HB2 SER A 24 -11.857 -0.160 -1.238 1.00 62.34 H new ATOM 0 HB3 SER A 24 -11.007 -1.692 -1.225 1.00 62.34 H new ATOM 0 HG SER A 24 -13.308 -1.966 -1.402 1.00 1.55 H new ATOM 408 N LYS A 25 -11.684 1.532 1.433 1.00 60.24 N ATOM 409 CA LYS A 25 -12.559 2.583 1.970 1.00 64.15 C ATOM 410 C LYS A 25 -12.968 3.553 0.854 1.00 24.12 C ATOM 411 O LYS A 25 -12.347 3.588 -0.210 1.00 41.52 O ATOM 412 CB LYS A 25 -11.874 3.378 3.099 1.00 32.41 C ATOM 413 CG LYS A 25 -11.483 2.556 4.328 1.00 55.44 C ATOM 414 CD LYS A 25 -10.189 1.776 4.114 1.00 75.32 C ATOM 415 CE LYS A 25 -9.777 1.012 5.368 1.00 14.02 C ATOM 416 NZ LYS A 25 -8.503 0.271 5.172 1.00 65.24 N ATOM 0 H LYS A 25 -10.798 1.876 1.062 1.00 60.24 H new ATOM 0 HA LYS A 25 -13.440 2.090 2.381 1.00 64.15 H new ATOM 0 HB2 LYS A 25 -10.978 3.850 2.697 1.00 32.41 H new ATOM 0 HB3 LYS A 25 -12.542 4.179 3.415 1.00 32.41 H new ATOM 0 HG2 LYS A 25 -11.367 3.220 5.185 1.00 55.44 H new ATOM 0 HG3 LYS A 25 -12.288 1.862 4.569 1.00 55.44 H new ATOM 0 HD2 LYS A 25 -10.318 1.077 3.288 1.00 75.32 H new ATOM 0 HD3 LYS A 25 -9.393 2.463 3.829 1.00 75.32 H new ATOM 0 HE2 LYS A 25 -9.667 1.709 6.198 1.00 14.02 H new ATOM 0 HE3 LYS A 25 -10.566 0.312 5.642 1.00 14.02 H new ATOM 0 HZ1 LYS A 25 -8.394 -0.438 5.925 1.00 65.24 H new ATOM 0 HZ2 LYS A 25 -8.517 -0.206 4.248 1.00 65.24 H new ATOM 0 HZ3 LYS A 25 -7.705 0.937 5.206 1.00 65.24 H new ATOM 430 N LYS A 26 -14.009 4.340 1.102 1.00 71.53 N ATOM 431 CA LYS A 26 -14.473 5.332 0.128 1.00 33.04 C ATOM 432 C LYS A 26 -14.555 6.731 0.767 1.00 61.50 C ATOM 433 O LYS A 26 -15.381 6.990 1.645 1.00 10.00 O ATOM 434 CB LYS A 26 -15.828 4.893 -0.455 1.00 11.05 C ATOM 435 CG LYS A 26 -16.927 4.679 0.584 1.00 14.22 C ATOM 436 CD LYS A 26 -18.125 3.897 0.025 1.00 51.50 C ATOM 437 CE LYS A 26 -18.771 4.558 -1.194 1.00 40.15 C ATOM 438 NZ LYS A 26 -17.986 4.352 -2.446 1.00 62.55 N ATOM 0 H LYS A 26 -14.550 4.314 1.967 1.00 71.53 H new ATOM 0 HA LYS A 26 -13.754 5.395 -0.689 1.00 33.04 H new ATOM 0 HB2 LYS A 26 -16.163 5.646 -1.169 1.00 11.05 H new ATOM 0 HB3 LYS A 26 -15.686 3.966 -1.011 1.00 11.05 H new ATOM 0 HG2 LYS A 26 -16.514 4.142 1.438 1.00 14.22 H new ATOM 0 HG3 LYS A 26 -17.269 5.647 0.950 1.00 14.22 H new ATOM 0 HD2 LYS A 26 -17.799 2.893 -0.247 1.00 51.50 H new ATOM 0 HD3 LYS A 26 -18.875 3.787 0.809 1.00 51.50 H new ATOM 0 HE2 LYS A 26 -19.775 4.157 -1.330 1.00 40.15 H new ATOM 0 HE3 LYS A 26 -18.877 5.627 -1.009 1.00 40.15 H new ATOM 0 HZ1 LYS A 26 -18.627 4.071 -3.215 1.00 62.55 H new ATOM 0 HZ2 LYS A 26 -17.504 5.237 -2.703 1.00 62.55 H new ATOM 0 HZ3 LYS A 26 -17.279 3.604 -2.294 1.00 62.55 H new ATOM 452 N VAL A 27 -13.684 7.634 0.319 1.00 10.31 N ATOM 453 CA VAL A 27 -13.567 8.974 0.916 1.00 31.24 C ATOM 454 C VAL A 27 -14.017 10.076 -0.055 1.00 4.24 C ATOM 455 O VAL A 27 -14.227 9.823 -1.236 1.00 71.35 O ATOM 456 CB VAL A 27 -12.107 9.259 1.361 1.00 11.12 C ATOM 457 CG1 VAL A 27 -11.657 8.257 2.422 1.00 2.31 C ATOM 458 CG2 VAL A 27 -11.158 9.244 0.160 1.00 34.12 C ATOM 0 H VAL A 27 -13.045 7.466 -0.458 1.00 10.31 H new ATOM 0 HA VAL A 27 -14.224 8.985 1.785 1.00 31.24 H new ATOM 0 HB VAL A 27 -12.077 10.255 1.802 1.00 11.12 H new ATOM 0 HG11 VAL A 27 -10.631 8.477 2.718 1.00 2.31 H new ATOM 0 HG12 VAL A 27 -12.310 8.331 3.292 1.00 2.31 H new ATOM 0 HG13 VAL A 27 -11.709 7.247 2.014 1.00 2.31 H new ATOM 0 HG21 VAL A 27 -10.141 9.446 0.497 1.00 34.12 H new ATOM 0 HG22 VAL A 27 -11.194 8.266 -0.320 1.00 34.12 H new ATOM 0 HG23 VAL A 27 -11.462 10.009 -0.554 1.00 34.12 H new ATOM 468 N LEU A 28 -14.159 11.302 0.450 1.00 21.24 N ATOM 469 CA LEU A 28 -14.509 12.451 -0.396 1.00 64.13 C ATOM 470 C LEU A 28 -13.251 13.168 -0.905 1.00 73.03 C ATOM 471 O LEU A 28 -12.173 13.059 -0.316 1.00 4.12 O ATOM 472 CB LEU A 28 -15.391 13.450 0.374 1.00 63.24 C ATOM 473 CG LEU A 28 -16.824 12.984 0.678 1.00 30.41 C ATOM 474 CD1 LEU A 28 -17.545 14.004 1.555 1.00 14.13 C ATOM 475 CD2 LEU A 28 -17.599 12.755 -0.617 1.00 34.11 C ATOM 0 H LEU A 28 -14.038 11.528 1.437 1.00 21.24 H new ATOM 0 HA LEU A 28 -15.066 12.067 -1.251 1.00 64.13 H new ATOM 0 HB2 LEU A 28 -14.899 13.688 1.317 1.00 63.24 H new ATOM 0 HB3 LEU A 28 -15.444 14.375 -0.200 1.00 63.24 H new ATOM 0 HG LEU A 28 -16.769 12.040 1.220 1.00 30.41 H new ATOM 0 HD11 LEU A 28 -18.558 13.657 1.759 1.00 14.13 H new ATOM 0 HD12 LEU A 28 -17.005 14.122 2.495 1.00 14.13 H new ATOM 0 HD13 LEU A 28 -17.588 14.963 1.038 1.00 14.13 H new ATOM 0 HD21 LEU A 28 -18.611 12.426 -0.382 1.00 34.11 H new ATOM 0 HD22 LEU A 28 -17.643 13.685 -1.184 1.00 34.11 H new ATOM 0 HD23 LEU A 28 -17.097 11.991 -1.211 1.00 34.11 H new ATOM 487 N GLU A 29 -13.403 13.896 -2.008 1.00 32.41 N ATOM 488 CA GLU A 29 -12.313 14.699 -2.575 1.00 40.31 C ATOM 489 C GLU A 29 -11.708 15.652 -1.527 1.00 23.33 C ATOM 490 O GLU A 29 -12.387 16.545 -1.024 1.00 30.51 O ATOM 491 CB GLU A 29 -12.835 15.511 -3.770 1.00 64.01 C ATOM 492 CG GLU A 29 -13.320 14.665 -4.936 1.00 23.22 C ATOM 493 CD GLU A 29 -13.808 15.515 -6.095 1.00 24.21 C ATOM 494 OE1 GLU A 29 -14.849 16.190 -5.945 1.00 41.42 O ATOM 495 OE2 GLU A 29 -13.159 15.511 -7.158 1.00 71.14 O ATOM 0 H GLU A 29 -14.276 13.949 -2.533 1.00 32.41 H new ATOM 0 HA GLU A 29 -11.529 14.017 -2.903 1.00 40.31 H new ATOM 0 HB2 GLU A 29 -13.653 16.147 -3.433 1.00 64.01 H new ATOM 0 HB3 GLU A 29 -12.042 16.171 -4.120 1.00 64.01 H new ATOM 0 HG2 GLU A 29 -12.510 14.020 -5.276 1.00 23.22 H new ATOM 0 HG3 GLU A 29 -14.127 14.014 -4.600 1.00 23.22 H new ATOM 502 N GLY A 30 -10.434 15.456 -1.198 1.00 51.41 N ATOM 503 CA GLY A 30 -9.765 16.321 -0.228 1.00 74.21 C ATOM 504 C GLY A 30 -9.643 15.704 1.164 1.00 10.31 C ATOM 505 O GLY A 30 -9.176 16.359 2.100 1.00 73.11 O ATOM 0 H GLY A 30 -9.849 14.715 -1.583 1.00 51.41 H new ATOM 0 HA2 GLY A 30 -8.768 16.563 -0.597 1.00 74.21 H new ATOM 0 HA3 GLY A 30 -10.314 17.260 -0.153 1.00 74.21 H new ATOM 509 N ASP A 31 -10.076 14.456 1.317 1.00 72.33 N ATOM 510 CA ASP A 31 -9.932 13.741 2.591 1.00 41.23 C ATOM 511 C ASP A 31 -8.775 12.723 2.549 1.00 12.43 C ATOM 512 O ASP A 31 -8.060 12.611 1.549 1.00 24.33 O ATOM 513 CB ASP A 31 -11.248 13.051 2.962 1.00 74.14 C ATOM 514 CG ASP A 31 -12.323 14.046 3.365 1.00 5.31 C ATOM 515 OD1 ASP A 31 -12.217 14.623 4.466 1.00 63.14 O ATOM 516 OD2 ASP A 31 -13.276 14.260 2.593 1.00 31.44 O ATOM 0 H ASP A 31 -10.529 13.916 0.580 1.00 72.33 H new ATOM 0 HA ASP A 31 -9.689 14.475 3.359 1.00 41.23 H new ATOM 0 HB2 ASP A 31 -11.599 12.462 2.115 1.00 74.14 H new ATOM 0 HB3 ASP A 31 -11.073 12.355 3.783 1.00 74.14 H new ATOM 521 N SER A 32 -8.587 11.989 3.648 1.00 75.52 N ATOM 522 CA SER A 32 -7.477 11.025 3.764 1.00 31.03 C ATOM 523 C SER A 32 -7.970 9.614 4.117 1.00 64.22 C ATOM 524 O SER A 32 -9.014 9.443 4.752 1.00 0.24 O ATOM 525 CB SER A 32 -6.464 11.496 4.819 1.00 4.24 C ATOM 526 OG SER A 32 -7.049 11.569 6.115 1.00 74.32 O ATOM 0 H SER A 32 -9.185 12.040 4.473 1.00 75.52 H new ATOM 0 HA SER A 32 -6.994 10.977 2.788 1.00 31.03 H new ATOM 0 HB2 SER A 32 -5.616 10.811 4.841 1.00 4.24 H new ATOM 0 HB3 SER A 32 -6.076 12.475 4.539 1.00 4.24 H new ATOM 0 HG SER A 32 -6.376 11.870 6.761 1.00 74.32 H new ATOM 532 N VAL A 33 -7.199 8.607 3.710 1.00 21.43 N ATOM 533 CA VAL A 33 -7.547 7.200 3.942 1.00 62.44 C ATOM 534 C VAL A 33 -6.329 6.384 4.411 1.00 52.34 C ATOM 535 O VAL A 33 -5.188 6.679 4.045 1.00 4.02 O ATOM 536 CB VAL A 33 -8.119 6.559 2.653 1.00 72.21 C ATOM 537 CG1 VAL A 33 -7.081 6.578 1.532 1.00 24.52 C ATOM 538 CG2 VAL A 33 -8.620 5.137 2.916 1.00 4.40 C ATOM 0 H VAL A 33 -6.319 8.739 3.212 1.00 21.43 H new ATOM 0 HA VAL A 33 -8.302 7.183 4.728 1.00 62.44 H new ATOM 0 HB VAL A 33 -8.974 7.155 2.333 1.00 72.21 H new ATOM 0 HG11 VAL A 33 -7.504 6.123 0.636 1.00 24.52 H new ATOM 0 HG12 VAL A 33 -6.797 7.608 1.316 1.00 24.52 H new ATOM 0 HG13 VAL A 33 -6.200 6.017 1.842 1.00 24.52 H new ATOM 0 HG21 VAL A 33 -9.015 4.714 1.993 1.00 4.40 H new ATOM 0 HG22 VAL A 33 -7.795 4.521 3.273 1.00 4.40 H new ATOM 0 HG23 VAL A 33 -9.407 5.162 3.670 1.00 4.40 H new ATOM 548 N LYS A 34 -6.578 5.355 5.219 1.00 2.52 N ATOM 549 CA LYS A 34 -5.511 4.468 5.700 1.00 52.22 C ATOM 550 C LYS A 34 -5.663 3.032 5.156 1.00 74.13 C ATOM 551 O LYS A 34 -6.714 2.397 5.307 1.00 52.12 O ATOM 552 CB LYS A 34 -5.489 4.449 7.237 1.00 11.24 C ATOM 553 CG LYS A 34 -6.837 4.116 7.872 1.00 73.10 C ATOM 554 CD LYS A 34 -6.761 4.083 9.397 1.00 63.44 C ATOM 555 CE LYS A 34 -8.142 3.931 10.024 1.00 22.44 C ATOM 556 NZ LYS A 34 -9.033 5.067 9.665 1.00 41.43 N ATOM 0 H LYS A 34 -7.509 5.112 5.557 1.00 2.52 H new ATOM 0 HA LYS A 34 -4.566 4.863 5.327 1.00 52.22 H new ATOM 0 HB2 LYS A 34 -4.751 3.719 7.571 1.00 11.24 H new ATOM 0 HB3 LYS A 34 -5.160 5.423 7.598 1.00 11.24 H new ATOM 0 HG2 LYS A 34 -7.576 4.855 7.562 1.00 73.10 H new ATOM 0 HG3 LYS A 34 -7.181 3.149 7.506 1.00 73.10 H new ATOM 0 HD2 LYS A 34 -6.124 3.256 9.712 1.00 63.44 H new ATOM 0 HD3 LYS A 34 -6.295 5.000 9.759 1.00 63.44 H new ATOM 0 HE2 LYS A 34 -8.592 2.995 9.692 1.00 22.44 H new ATOM 0 HE3 LYS A 34 -8.046 3.871 11.108 1.00 22.44 H new ATOM 0 HZ1 LYS A 34 -9.523 5.406 10.517 1.00 41.43 H new ATOM 0 HZ2 LYS A 34 -8.465 5.839 9.261 1.00 41.43 H new ATOM 0 HZ3 LYS A 34 -9.734 4.751 8.965 1.00 41.43 H new ATOM 570 N LEU A 35 -4.609 2.531 4.512 1.00 52.32 N ATOM 571 CA LEU A 35 -4.575 1.150 4.002 1.00 61.23 C ATOM 572 C LEU A 35 -3.355 0.401 4.570 1.00 54.44 C ATOM 573 O LEU A 35 -2.217 0.731 4.249 1.00 25.32 O ATOM 574 CB LEU A 35 -4.514 1.157 2.465 1.00 62.42 C ATOM 575 CG LEU A 35 -5.683 1.866 1.756 1.00 62.31 C ATOM 576 CD1 LEU A 35 -5.439 1.939 0.251 1.00 14.43 C ATOM 577 CD2 LEU A 35 -7.008 1.163 2.053 1.00 42.52 C ATOM 0 H LEU A 35 -3.758 3.062 4.327 1.00 52.32 H new ATOM 0 HA LEU A 35 -5.483 0.638 4.321 1.00 61.23 H new ATOM 0 HB2 LEU A 35 -3.583 1.634 2.158 1.00 62.42 H new ATOM 0 HB3 LEU A 35 -4.473 0.125 2.116 1.00 62.42 H new ATOM 0 HG LEU A 35 -5.744 2.883 2.142 1.00 62.31 H new ATOM 0 HD11 LEU A 35 -6.277 2.444 -0.229 1.00 14.43 H new ATOM 0 HD12 LEU A 35 -4.522 2.495 0.058 1.00 14.43 H new ATOM 0 HD13 LEU A 35 -5.344 0.931 -0.151 1.00 14.43 H new ATOM 0 HD21 LEU A 35 -7.818 1.682 1.541 1.00 42.52 H new ATOM 0 HD22 LEU A 35 -6.959 0.132 1.703 1.00 42.52 H new ATOM 0 HD23 LEU A 35 -7.192 1.173 3.127 1.00 42.52 H new ATOM 589 N GLU A 36 -3.588 -0.608 5.408 1.00 5.41 N ATOM 590 CA GLU A 36 -2.483 -1.322 6.065 1.00 52.13 C ATOM 591 C GLU A 36 -2.635 -2.849 5.984 1.00 43.44 C ATOM 592 O GLU A 36 -3.743 -3.374 5.843 1.00 75.32 O ATOM 593 CB GLU A 36 -2.370 -0.881 7.531 1.00 4.13 C ATOM 594 CG GLU A 36 -3.612 -1.172 8.361 1.00 11.24 C ATOM 595 CD GLU A 36 -3.503 -0.656 9.785 1.00 2.45 C ATOM 596 OE1 GLU A 36 -2.987 -1.387 10.654 1.00 75.44 O ATOM 597 OE2 GLU A 36 -3.939 0.485 10.045 1.00 72.34 O ATOM 0 H GLU A 36 -4.518 -0.950 5.649 1.00 5.41 H new ATOM 0 HA GLU A 36 -1.570 -1.062 5.529 1.00 52.13 H new ATOM 0 HB2 GLU A 36 -1.516 -1.382 7.986 1.00 4.13 H new ATOM 0 HB3 GLU A 36 -2.166 0.189 7.563 1.00 4.13 H new ATOM 0 HG2 GLU A 36 -4.479 -0.718 7.881 1.00 11.24 H new ATOM 0 HG3 GLU A 36 -3.786 -2.248 8.382 1.00 11.24 H new ATOM 604 N CYS A 37 -1.504 -3.546 6.075 1.00 32.22 N ATOM 605 CA CYS A 37 -1.468 -5.013 6.021 1.00 71.53 C ATOM 606 C CYS A 37 -0.232 -5.564 6.749 1.00 64.05 C ATOM 607 O CYS A 37 0.636 -4.807 7.185 1.00 75.32 O ATOM 608 CB CYS A 37 -1.462 -5.498 4.566 1.00 54.31 C ATOM 609 SG CYS A 37 -0.039 -4.941 3.599 1.00 12.31 S ATOM 0 H CYS A 37 -0.587 -3.114 6.188 1.00 32.22 H new ATOM 0 HA CYS A 37 -2.363 -5.383 6.521 1.00 71.53 H new ATOM 0 HB2 CYS A 37 -1.487 -6.588 4.559 1.00 54.31 H new ATOM 0 HB3 CYS A 37 -2.374 -5.155 4.078 1.00 54.31 H new ATOM 0 HG CYS A 37 -0.315 -5.028 2.332 1.00 12.31 H new ATOM 615 N GLN A 38 -0.152 -6.889 6.876 1.00 50.55 N ATOM 616 CA GLN A 38 0.983 -7.538 7.552 1.00 44.41 C ATOM 617 C GLN A 38 1.779 -8.444 6.597 1.00 22.01 C ATOM 618 O GLN A 38 1.220 -9.349 5.969 1.00 55.01 O ATOM 619 CB GLN A 38 0.494 -8.365 8.753 1.00 71.33 C ATOM 620 CG GLN A 38 -0.069 -7.535 9.906 1.00 42.22 C ATOM 621 CD GLN A 38 0.973 -6.665 10.600 1.00 51.31 C ATOM 622 OE1 GLN A 38 0.662 -5.604 11.125 1.00 54.33 O ATOM 623 NE2 GLN A 38 2.215 -7.108 10.625 1.00 22.53 N ATOM 0 H GLN A 38 -0.856 -7.537 6.522 1.00 50.55 H new ATOM 0 HA GLN A 38 1.645 -6.744 7.898 1.00 44.41 H new ATOM 0 HB2 GLN A 38 -0.275 -9.058 8.412 1.00 71.33 H new ATOM 0 HB3 GLN A 38 1.323 -8.966 9.126 1.00 71.33 H new ATOM 0 HG2 GLN A 38 -0.868 -6.897 9.527 1.00 42.22 H new ATOM 0 HG3 GLN A 38 -0.517 -8.205 10.640 1.00 42.22 H new ATOM 0 HE21 GLN A 38 2.449 -7.996 10.180 1.00 22.53 H new ATOM 0 HE22 GLN A 38 2.942 -6.563 11.089 1.00 22.53 H new ATOM 632 N ILE A 39 3.087 -8.193 6.500 1.00 35.55 N ATOM 633 CA ILE A 39 3.996 -9.026 5.700 1.00 54.11 C ATOM 634 C ILE A 39 5.112 -9.609 6.581 1.00 50.31 C ATOM 635 O ILE A 39 5.844 -8.869 7.243 1.00 31.24 O ATOM 636 CB ILE A 39 4.652 -8.216 4.549 1.00 2.44 C ATOM 637 CG1 ILE A 39 3.579 -7.565 3.664 1.00 53.42 C ATOM 638 CG2 ILE A 39 5.570 -9.112 3.709 1.00 41.01 C ATOM 639 CD1 ILE A 39 4.146 -6.697 2.560 1.00 71.42 C ATOM 0 H ILE A 39 3.546 -7.412 6.970 1.00 35.55 H new ATOM 0 HA ILE A 39 3.395 -9.829 5.274 1.00 54.11 H new ATOM 0 HB ILE A 39 5.257 -7.426 4.993 1.00 2.44 H new ATOM 0 HG12 ILE A 39 2.964 -8.347 3.220 1.00 53.42 H new ATOM 0 HG13 ILE A 39 2.923 -6.960 4.289 1.00 53.42 H new ATOM 0 HG21 ILE A 39 6.019 -8.524 2.908 1.00 41.01 H new ATOM 0 HG22 ILE A 39 6.356 -9.523 4.342 1.00 41.01 H new ATOM 0 HG23 ILE A 39 4.988 -9.927 3.278 1.00 41.01 H new ATOM 0 HD11 ILE A 39 3.330 -6.271 1.977 1.00 71.42 H new ATOM 0 HD12 ILE A 39 4.738 -5.893 2.997 1.00 71.42 H new ATOM 0 HD13 ILE A 39 4.779 -7.302 1.911 1.00 71.42 H new ATOM 651 N SER A 40 5.248 -10.932 6.601 1.00 40.32 N ATOM 652 CA SER A 40 6.315 -11.566 7.392 1.00 73.05 C ATOM 653 C SER A 40 7.534 -11.890 6.514 1.00 22.04 C ATOM 654 O SER A 40 7.535 -12.868 5.769 1.00 53.04 O ATOM 655 CB SER A 40 5.800 -12.846 8.066 1.00 35.32 C ATOM 656 OG SER A 40 6.760 -13.371 8.973 1.00 50.04 O ATOM 0 H SER A 40 4.649 -11.581 6.091 1.00 40.32 H new ATOM 0 HA SER A 40 6.623 -10.860 8.163 1.00 73.05 H new ATOM 0 HB2 SER A 40 4.873 -12.633 8.597 1.00 35.32 H new ATOM 0 HB3 SER A 40 5.568 -13.592 7.306 1.00 35.32 H new ATOM 0 HG SER A 40 6.406 -14.185 9.389 1.00 50.04 H new ATOM 662 N ALA A 41 8.562 -11.045 6.592 1.00 35.30 N ATOM 663 CA ALA A 41 9.809 -11.246 5.834 1.00 41.44 C ATOM 664 C ALA A 41 11.055 -11.031 6.710 1.00 63.10 C ATOM 665 O ALA A 41 11.068 -10.155 7.576 1.00 63.04 O ATOM 666 CB ALA A 41 9.850 -10.313 4.631 1.00 24.44 C ATOM 0 H ALA A 41 8.560 -10.208 7.175 1.00 35.30 H new ATOM 0 HA ALA A 41 9.820 -12.281 5.492 1.00 41.44 H new ATOM 0 HB1 ALA A 41 10.777 -10.471 4.079 1.00 24.44 H new ATOM 0 HB2 ALA A 41 9.000 -10.520 3.981 1.00 24.44 H new ATOM 0 HB3 ALA A 41 9.803 -9.279 4.971 1.00 24.44 H new ATOM 672 N ILE A 42 12.103 -11.821 6.475 1.00 63.21 N ATOM 673 CA ILE A 42 13.394 -11.634 7.162 1.00 55.34 C ATOM 674 C ILE A 42 14.568 -11.729 6.169 1.00 45.41 C ATOM 675 O ILE A 42 14.835 -12.803 5.623 1.00 13.32 O ATOM 676 CB ILE A 42 13.612 -12.679 8.294 1.00 42.22 C ATOM 677 CG1 ILE A 42 12.524 -12.552 9.375 1.00 61.22 C ATOM 678 CG2 ILE A 42 15.006 -12.526 8.912 1.00 64.34 C ATOM 679 CD1 ILE A 42 12.687 -13.523 10.528 1.00 11.31 C ATOM 0 H ILE A 42 12.089 -12.599 5.815 1.00 63.21 H new ATOM 0 HA ILE A 42 13.363 -10.639 7.605 1.00 55.34 H new ATOM 0 HB ILE A 42 13.539 -13.673 7.854 1.00 42.22 H new ATOM 0 HG12 ILE A 42 12.531 -11.535 9.766 1.00 61.22 H new ATOM 0 HG13 ILE A 42 11.548 -12.710 8.915 1.00 61.22 H new ATOM 0 HG21 ILE A 42 15.137 -13.266 9.701 1.00 64.34 H new ATOM 0 HG22 ILE A 42 15.764 -12.677 8.143 1.00 64.34 H new ATOM 0 HG23 ILE A 42 15.110 -11.526 9.332 1.00 64.34 H new ATOM 0 HD11 ILE A 42 11.883 -13.372 11.248 1.00 11.31 H new ATOM 0 HD12 ILE A 42 12.649 -14.545 10.151 1.00 11.31 H new ATOM 0 HD13 ILE A 42 13.647 -13.351 11.015 1.00 11.31 H new ATOM 691 N PRO A 43 15.285 -10.613 5.902 1.00 30.12 N ATOM 692 CA PRO A 43 14.966 -9.271 6.444 1.00 1.02 C ATOM 693 C PRO A 43 13.822 -8.559 5.680 1.00 34.22 C ATOM 694 O PRO A 43 13.352 -9.053 4.653 1.00 2.50 O ATOM 695 CB PRO A 43 16.294 -8.524 6.260 1.00 61.31 C ATOM 696 CG PRO A 43 16.891 -9.129 5.036 1.00 41.21 C ATOM 697 CD PRO A 43 16.504 -10.588 5.066 1.00 51.21 C ATOM 0 HA PRO A 43 14.607 -9.314 7.472 1.00 1.02 H new ATOM 0 HB2 PRO A 43 16.134 -7.453 6.137 1.00 61.31 H new ATOM 0 HB3 PRO A 43 16.945 -8.652 7.125 1.00 61.31 H new ATOM 0 HG2 PRO A 43 16.514 -8.643 4.136 1.00 41.21 H new ATOM 0 HG3 PRO A 43 17.975 -9.012 5.031 1.00 41.21 H new ATOM 0 HD2 PRO A 43 16.310 -10.971 4.064 1.00 51.21 H new ATOM 0 HD3 PRO A 43 17.295 -11.203 5.494 1.00 51.21 H new ATOM 705 N PRO A 44 13.342 -7.395 6.182 1.00 45.11 N ATOM 706 CA PRO A 44 12.283 -6.607 5.512 1.00 42.24 C ATOM 707 C PRO A 44 12.503 -6.421 3.990 1.00 31.34 C ATOM 708 O PRO A 44 13.625 -6.186 3.533 1.00 23.33 O ATOM 709 CB PRO A 44 12.358 -5.262 6.237 1.00 32.51 C ATOM 710 CG PRO A 44 12.796 -5.616 7.616 1.00 34.15 C ATOM 711 CD PRO A 44 13.760 -6.766 7.457 1.00 0.54 C ATOM 0 HA PRO A 44 11.315 -7.105 5.572 1.00 42.24 H new ATOM 0 HB2 PRO A 44 13.066 -4.588 5.755 1.00 32.51 H new ATOM 0 HB3 PRO A 44 11.392 -4.758 6.243 1.00 32.51 H new ATOM 0 HG2 PRO A 44 13.276 -4.768 8.104 1.00 34.15 H new ATOM 0 HG3 PRO A 44 11.946 -5.901 8.236 1.00 34.15 H new ATOM 0 HD2 PRO A 44 14.793 -6.421 7.414 1.00 0.54 H new ATOM 0 HD3 PRO A 44 13.692 -7.465 8.291 1.00 0.54 H new ATOM 719 N PRO A 45 11.422 -6.533 3.182 1.00 0.33 N ATOM 720 CA PRO A 45 11.495 -6.449 1.714 1.00 43.24 C ATOM 721 C PRO A 45 11.299 -5.030 1.142 1.00 32.31 C ATOM 722 O PRO A 45 10.946 -4.091 1.861 1.00 1.25 O ATOM 723 CB PRO A 45 10.326 -7.345 1.307 1.00 42.31 C ATOM 724 CG PRO A 45 9.287 -7.089 2.351 1.00 31.43 C ATOM 725 CD PRO A 45 10.034 -6.779 3.632 1.00 22.31 C ATOM 0 HA PRO A 45 12.477 -6.737 1.339 1.00 43.24 H new ATOM 0 HB2 PRO A 45 9.960 -7.095 0.311 1.00 42.31 H new ATOM 0 HB3 PRO A 45 10.618 -8.395 1.285 1.00 42.31 H new ATOM 0 HG2 PRO A 45 8.646 -6.256 2.064 1.00 31.43 H new ATOM 0 HG3 PRO A 45 8.642 -7.958 2.478 1.00 31.43 H new ATOM 0 HD2 PRO A 45 9.617 -5.908 4.137 1.00 22.31 H new ATOM 0 HD3 PRO A 45 9.983 -7.610 4.336 1.00 22.31 H new ATOM 733 N LYS A 46 11.538 -4.891 -0.163 1.00 43.45 N ATOM 734 CA LYS A 46 11.273 -3.637 -0.886 1.00 10.32 C ATOM 735 C LYS A 46 9.813 -3.596 -1.373 1.00 65.15 C ATOM 736 O LYS A 46 9.351 -4.518 -2.051 1.00 42.22 O ATOM 737 CB LYS A 46 12.232 -3.508 -2.082 1.00 4.13 C ATOM 738 CG LYS A 46 12.059 -2.223 -2.893 1.00 53.31 C ATOM 739 CD LYS A 46 12.416 -0.978 -2.086 1.00 12.22 C ATOM 740 CE LYS A 46 12.248 0.293 -2.913 1.00 12.11 C ATOM 741 NZ LYS A 46 12.623 1.510 -2.147 1.00 70.53 N ATOM 0 H LYS A 46 11.918 -5.635 -0.748 1.00 43.45 H new ATOM 0 HA LYS A 46 11.436 -2.800 -0.207 1.00 10.32 H new ATOM 0 HB2 LYS A 46 13.258 -3.558 -1.717 1.00 4.13 H new ATOM 0 HB3 LYS A 46 12.087 -4.363 -2.743 1.00 4.13 H new ATOM 0 HG2 LYS A 46 12.687 -2.270 -3.782 1.00 53.31 H new ATOM 0 HG3 LYS A 46 11.027 -2.148 -3.236 1.00 53.31 H new ATOM 0 HD2 LYS A 46 11.783 -0.923 -1.201 1.00 12.22 H new ATOM 0 HD3 LYS A 46 13.446 -1.053 -1.737 1.00 12.22 H new ATOM 0 HE2 LYS A 46 12.863 0.226 -3.810 1.00 12.11 H new ATOM 0 HE3 LYS A 46 11.212 0.377 -3.242 1.00 12.11 H new ATOM 0 HZ1 LYS A 46 12.494 2.351 -2.746 1.00 70.53 H new ATOM 0 HZ2 LYS A 46 12.019 1.589 -1.304 1.00 70.53 H new ATOM 0 HZ3 LYS A 46 13.619 1.443 -1.854 1.00 70.53 H new ATOM 755 N LEU A 47 9.093 -2.525 -1.030 1.00 72.33 N ATOM 756 CA LEU A 47 7.663 -2.400 -1.362 1.00 54.02 C ATOM 757 C LEU A 47 7.428 -1.653 -2.690 1.00 40.33 C ATOM 758 O LEU A 47 8.078 -0.648 -2.981 1.00 54.11 O ATOM 759 CB LEU A 47 6.931 -1.672 -0.225 1.00 22.43 C ATOM 760 CG LEU A 47 7.058 -2.329 1.161 1.00 65.24 C ATOM 761 CD1 LEU A 47 6.408 -1.461 2.233 1.00 60.32 C ATOM 762 CD2 LEU A 47 6.446 -3.728 1.160 1.00 41.53 C ATOM 0 H LEU A 47 9.474 -1.727 -0.521 1.00 72.33 H new ATOM 0 HA LEU A 47 7.269 -3.409 -1.482 1.00 54.02 H new ATOM 0 HB2 LEU A 47 7.312 -0.653 -0.163 1.00 22.43 H new ATOM 0 HB3 LEU A 47 5.874 -1.602 -0.481 1.00 22.43 H new ATOM 0 HG LEU A 47 8.119 -2.422 1.392 1.00 65.24 H new ATOM 0 HD11 LEU A 47 6.510 -1.945 3.204 1.00 60.32 H new ATOM 0 HD12 LEU A 47 6.898 -0.488 2.260 1.00 60.32 H new ATOM 0 HD13 LEU A 47 5.351 -1.329 2.003 1.00 60.32 H new ATOM 0 HD21 LEU A 47 6.549 -4.171 2.151 1.00 41.53 H new ATOM 0 HD22 LEU A 47 5.390 -3.663 0.899 1.00 41.53 H new ATOM 0 HD23 LEU A 47 6.962 -4.350 0.429 1.00 41.53 H new ATOM 774 N PHE A 48 6.483 -2.156 -3.488 1.00 51.44 N ATOM 775 CA PHE A 48 6.096 -1.520 -4.758 1.00 54.52 C ATOM 776 C PHE A 48 4.568 -1.388 -4.863 1.00 61.41 C ATOM 777 O PHE A 48 3.850 -2.387 -4.832 1.00 74.34 O ATOM 778 CB PHE A 48 6.617 -2.340 -5.948 1.00 14.41 C ATOM 779 CG PHE A 48 8.122 -2.412 -6.041 1.00 22.50 C ATOM 780 CD1 PHE A 48 8.837 -1.411 -6.684 1.00 44.13 C ATOM 781 CD2 PHE A 48 8.821 -3.481 -5.493 1.00 23.14 C ATOM 782 CE1 PHE A 48 10.214 -1.475 -6.777 1.00 35.41 C ATOM 783 CE2 PHE A 48 10.196 -3.546 -5.585 1.00 41.11 C ATOM 784 CZ PHE A 48 10.893 -2.543 -6.227 1.00 22.44 C ATOM 0 H PHE A 48 5.965 -3.009 -3.278 1.00 51.44 H new ATOM 0 HA PHE A 48 6.539 -0.525 -4.780 1.00 54.52 H new ATOM 0 HB2 PHE A 48 6.220 -3.353 -5.878 1.00 14.41 H new ATOM 0 HB3 PHE A 48 6.228 -1.908 -6.870 1.00 14.41 H new ATOM 0 HD1 PHE A 48 8.311 -0.573 -7.116 1.00 44.13 H new ATOM 0 HD2 PHE A 48 8.282 -4.270 -4.989 1.00 23.14 H new ATOM 0 HE1 PHE A 48 10.759 -0.690 -7.280 1.00 35.41 H new ATOM 0 HE2 PHE A 48 10.727 -4.382 -5.154 1.00 41.11 H new ATOM 0 HZ PHE A 48 11.969 -2.594 -6.299 1.00 22.44 H new ATOM 794 N TRP A 49 4.072 -0.157 -4.989 1.00 74.23 N ATOM 795 CA TRP A 49 2.629 0.082 -5.124 1.00 3.15 C ATOM 796 C TRP A 49 2.248 0.537 -6.543 1.00 55.14 C ATOM 797 O TRP A 49 2.856 1.447 -7.109 1.00 21.30 O ATOM 798 CB TRP A 49 2.155 1.125 -4.099 1.00 10.21 C ATOM 799 CG TRP A 49 2.021 0.583 -2.703 1.00 44.54 C ATOM 800 CD1 TRP A 49 3.013 0.428 -1.778 1.00 72.32 C ATOM 801 CD2 TRP A 49 0.815 0.126 -2.078 1.00 54.42 C ATOM 802 NE1 TRP A 49 2.497 -0.090 -0.615 1.00 5.23 N ATOM 803 CE2 TRP A 49 1.149 -0.285 -0.774 1.00 12.30 C ATOM 804 CE3 TRP A 49 -0.516 0.026 -2.495 1.00 34.02 C ATOM 805 CZ2 TRP A 49 0.201 -0.788 0.115 1.00 2.12 C ATOM 806 CZ3 TRP A 49 -1.457 -0.471 -1.612 1.00 12.22 C ATOM 807 CH2 TRP A 49 -1.093 -0.873 -0.320 1.00 4.52 C ATOM 0 H TRP A 49 4.642 0.689 -5.001 1.00 74.23 H new ATOM 0 HA TRP A 49 2.130 -0.868 -4.932 1.00 3.15 H new ATOM 0 HB2 TRP A 49 2.858 1.958 -4.090 1.00 10.21 H new ATOM 0 HB3 TRP A 49 1.192 1.524 -4.418 1.00 10.21 H new ATOM 0 HD1 TRP A 49 4.052 0.676 -1.937 1.00 72.32 H new ATOM 0 HE1 TRP A 49 3.030 -0.296 0.230 1.00 5.23 H new ATOM 0 HE3 TRP A 49 -0.804 0.332 -3.490 1.00 34.02 H new ATOM 0 HZ2 TRP A 49 0.478 -1.099 1.111 1.00 2.12 H new ATOM 0 HZ3 TRP A 49 -2.488 -0.551 -1.923 1.00 12.22 H new ATOM 0 HH2 TRP A 49 -1.850 -1.258 0.347 1.00 4.52 H new ATOM 818 N LYS A 50 1.230 -0.111 -7.105 1.00 53.43 N ATOM 819 CA LYS A 50 0.681 0.259 -8.414 1.00 61.12 C ATOM 820 C LYS A 50 -0.756 0.784 -8.260 1.00 12.14 C ATOM 821 O LYS A 50 -1.586 0.141 -7.628 1.00 31.31 O ATOM 822 CB LYS A 50 0.680 -0.968 -9.344 1.00 51.31 C ATOM 823 CG LYS A 50 -0.019 -0.739 -10.688 1.00 61.40 C ATOM 824 CD LYS A 50 -0.362 -2.051 -11.397 1.00 61.32 C ATOM 825 CE LYS A 50 0.855 -2.945 -11.618 1.00 42.24 C ATOM 826 NZ LYS A 50 1.845 -2.339 -12.547 1.00 1.20 N ATOM 0 H LYS A 50 0.761 -0.906 -6.670 1.00 53.43 H new ATOM 0 HA LYS A 50 1.303 1.044 -8.845 1.00 61.12 H new ATOM 0 HB2 LYS A 50 1.711 -1.269 -9.530 1.00 51.31 H new ATOM 0 HB3 LYS A 50 0.193 -1.798 -8.831 1.00 51.31 H new ATOM 0 HG2 LYS A 50 -0.932 -0.167 -10.527 1.00 61.40 H new ATOM 0 HG3 LYS A 50 0.624 -0.139 -11.331 1.00 61.40 H new ATOM 0 HD2 LYS A 50 -1.102 -2.593 -10.808 1.00 61.32 H new ATOM 0 HD3 LYS A 50 -0.822 -1.828 -12.360 1.00 61.32 H new ATOM 0 HE2 LYS A 50 1.335 -3.143 -10.660 1.00 42.24 H new ATOM 0 HE3 LYS A 50 0.529 -3.906 -12.016 1.00 42.24 H new ATOM 0 HZ1 LYS A 50 2.652 -2.985 -12.664 1.00 1.20 H new ATOM 0 HZ2 LYS A 50 1.398 -2.173 -13.471 1.00 1.20 H new ATOM 0 HZ3 LYS A 50 2.179 -1.435 -12.157 1.00 1.20 H new ATOM 840 N ARG A 51 -1.039 1.952 -8.832 1.00 31.21 N ATOM 841 CA ARG A 51 -2.394 2.516 -8.818 1.00 35.31 C ATOM 842 C ARG A 51 -2.995 2.543 -10.229 1.00 52.22 C ATOM 843 O ARG A 51 -2.525 3.283 -11.086 1.00 61.35 O ATOM 844 CB ARG A 51 -2.369 3.952 -8.279 1.00 51.43 C ATOM 845 CG ARG A 51 -3.748 4.604 -8.204 1.00 31.41 C ATOM 846 CD ARG A 51 -3.656 6.115 -8.024 1.00 40.32 C ATOM 847 NE ARG A 51 -3.166 6.783 -9.232 1.00 11.43 N ATOM 848 CZ ARG A 51 -2.948 8.067 -9.321 1.00 12.01 C ATOM 849 NH1 ARG A 51 -3.097 8.832 -8.286 1.00 72.30 N ATOM 850 NH2 ARG A 51 -2.571 8.579 -10.447 1.00 3.15 N ATOM 0 H ARG A 51 -0.350 2.530 -9.313 1.00 31.21 H new ATOM 0 HA ARG A 51 -3.004 1.882 -8.174 1.00 35.31 H new ATOM 0 HB2 ARG A 51 -1.924 3.949 -7.284 1.00 51.43 H new ATOM 0 HB3 ARG A 51 -1.724 4.558 -8.915 1.00 51.43 H new ATOM 0 HG2 ARG A 51 -4.305 4.381 -9.114 1.00 31.41 H new ATOM 0 HG3 ARG A 51 -4.308 4.173 -7.374 1.00 31.41 H new ATOM 0 HD2 ARG A 51 -4.638 6.510 -7.765 1.00 40.32 H new ATOM 0 HD3 ARG A 51 -2.992 6.341 -7.190 1.00 40.32 H new ATOM 0 HE ARG A 51 -2.984 6.209 -10.055 1.00 11.43 H new ATOM 0 HH11 ARG A 51 -3.387 8.432 -7.394 1.00 72.30 H new ATOM 0 HH12 ARG A 51 -2.925 9.834 -8.364 1.00 72.30 H new ATOM 0 HH21 ARG A 51 -2.445 7.980 -11.263 1.00 3.15 H new ATOM 0 HH22 ARG A 51 -2.400 9.582 -10.519 1.00 3.15 H new ATOM 864 N ASN A 52 -4.042 1.750 -10.451 1.00 61.21 N ATOM 865 CA ASN A 52 -4.795 1.764 -11.713 1.00 30.44 C ATOM 866 C ASN A 52 -3.870 1.802 -12.954 1.00 41.05 C ATOM 867 O ASN A 52 -3.904 2.749 -13.744 1.00 61.30 O ATOM 868 CB ASN A 52 -5.770 2.952 -11.702 1.00 33.50 C ATOM 869 CG ASN A 52 -6.728 2.949 -12.880 1.00 61.54 C ATOM 870 OD1 ASN A 52 -7.037 1.906 -13.450 1.00 20.00 O ATOM 871 ND2 ASN A 52 -7.230 4.113 -13.232 1.00 22.44 N ATOM 0 H ASN A 52 -4.395 1.081 -9.767 1.00 61.21 H new ATOM 0 HA ASN A 52 -5.357 0.833 -11.789 1.00 30.44 H new ATOM 0 HB2 ASN A 52 -6.344 2.935 -10.775 1.00 33.50 H new ATOM 0 HB3 ASN A 52 -5.201 3.881 -11.707 1.00 33.50 H new ATOM 0 HD21 ASN A 52 -7.898 4.169 -14.001 1.00 22.44 H new ATOM 0 HD22 ASN A 52 -6.951 4.960 -12.736 1.00 22.44 H new ATOM 878 N ASN A 53 -3.049 0.754 -13.106 1.00 31.33 N ATOM 879 CA ASN A 53 -2.099 0.620 -14.231 1.00 54.23 C ATOM 880 C ASN A 53 -0.931 1.628 -14.162 1.00 23.54 C ATOM 881 O ASN A 53 -0.151 1.741 -15.110 1.00 33.22 O ATOM 882 CB ASN A 53 -2.823 0.752 -15.580 1.00 42.33 C ATOM 883 CG ASN A 53 -3.915 -0.288 -15.760 1.00 61.13 C ATOM 884 OD1 ASN A 53 -3.673 -1.386 -16.256 1.00 54.01 O ATOM 885 ND2 ASN A 53 -5.125 0.046 -15.366 1.00 2.34 N ATOM 0 H ASN A 53 -3.021 -0.029 -12.453 1.00 31.33 H new ATOM 0 HA ASN A 53 -1.669 -0.378 -14.144 1.00 54.23 H new ATOM 0 HB2 ASN A 53 -3.258 1.748 -15.659 1.00 42.33 H new ATOM 0 HB3 ASN A 53 -2.098 0.656 -16.388 1.00 42.33 H new ATOM 0 HD21 ASN A 53 -5.895 -0.615 -15.468 1.00 2.34 H new ATOM 0 HD22 ASN A 53 -5.293 0.966 -14.958 1.00 2.34 H new ATOM 892 N GLU A 54 -0.803 2.351 -13.050 1.00 12.52 N ATOM 893 CA GLU A 54 0.289 3.326 -12.876 1.00 52.52 C ATOM 894 C GLU A 54 1.189 2.962 -11.685 1.00 0.01 C ATOM 895 O GLU A 54 0.754 2.310 -10.744 1.00 51.44 O ATOM 896 CB GLU A 54 -0.281 4.736 -12.649 1.00 62.22 C ATOM 897 CG GLU A 54 -1.281 5.186 -13.706 1.00 62.22 C ATOM 898 CD GLU A 54 -1.762 6.610 -13.479 1.00 71.22 C ATOM 899 OE1 GLU A 54 -2.643 6.822 -12.620 1.00 12.12 O ATOM 900 OE2 GLU A 54 -1.246 7.529 -14.151 1.00 33.21 O ATOM 0 H GLU A 54 -1.437 2.285 -12.254 1.00 12.52 H new ATOM 0 HA GLU A 54 0.885 3.305 -13.788 1.00 52.52 H new ATOM 0 HB2 GLU A 54 -0.764 4.767 -11.672 1.00 62.22 H new ATOM 0 HB3 GLU A 54 0.544 5.448 -12.619 1.00 62.22 H new ATOM 0 HG2 GLU A 54 -0.821 5.113 -14.692 1.00 62.22 H new ATOM 0 HG3 GLU A 54 -2.137 4.511 -13.703 1.00 62.22 H new ATOM 907 N MET A 55 2.448 3.386 -11.734 1.00 5.51 N ATOM 908 CA MET A 55 3.366 3.239 -10.597 1.00 31.34 C ATOM 909 C MET A 55 3.181 4.398 -9.592 1.00 14.12 C ATOM 910 O MET A 55 3.256 5.570 -9.967 1.00 53.21 O ATOM 911 CB MET A 55 4.821 3.211 -11.099 1.00 35.02 C ATOM 912 CG MET A 55 5.868 2.939 -10.016 1.00 32.11 C ATOM 913 SD MET A 55 6.327 1.194 -9.869 1.00 70.21 S ATOM 914 CE MET A 55 4.783 0.435 -9.369 1.00 71.41 C ATOM 0 H MET A 55 2.862 3.837 -12.550 1.00 5.51 H new ATOM 0 HA MET A 55 3.140 2.301 -10.090 1.00 31.34 H new ATOM 0 HB2 MET A 55 4.910 2.446 -11.871 1.00 35.02 H new ATOM 0 HB3 MET A 55 5.046 4.167 -11.571 1.00 35.02 H new ATOM 0 HG2 MET A 55 6.762 3.524 -10.233 1.00 32.11 H new ATOM 0 HG3 MET A 55 5.484 3.287 -9.057 1.00 32.11 H new ATOM 0 HE1 MET A 55 4.989 -0.507 -8.861 1.00 71.41 H new ATOM 0 HE2 MET A 55 4.251 1.104 -8.692 1.00 71.41 H new ATOM 0 HE3 MET A 55 4.169 0.246 -10.249 1.00 71.41 H new ATOM 924 N VAL A 56 2.936 4.065 -8.323 1.00 43.20 N ATOM 925 CA VAL A 56 2.725 5.080 -7.275 1.00 1.33 C ATOM 926 C VAL A 56 4.055 5.691 -6.789 1.00 24.00 C ATOM 927 O VAL A 56 5.055 4.983 -6.626 1.00 30.30 O ATOM 928 CB VAL A 56 1.970 4.481 -6.056 1.00 51.11 C ATOM 929 CG1 VAL A 56 1.740 5.539 -4.976 1.00 60.23 C ATOM 930 CG2 VAL A 56 0.646 3.860 -6.491 1.00 41.14 C ATOM 0 H VAL A 56 2.878 3.102 -7.991 1.00 43.20 H new ATOM 0 HA VAL A 56 2.121 5.867 -7.726 1.00 1.33 H new ATOM 0 HB VAL A 56 2.594 3.695 -5.630 1.00 51.11 H new ATOM 0 HG11 VAL A 56 1.210 5.092 -4.135 1.00 60.23 H new ATOM 0 HG12 VAL A 56 2.700 5.926 -4.635 1.00 60.23 H new ATOM 0 HG13 VAL A 56 1.146 6.355 -5.387 1.00 60.23 H new ATOM 0 HG21 VAL A 56 0.135 3.447 -5.621 1.00 41.14 H new ATOM 0 HG22 VAL A 56 0.020 4.624 -6.951 1.00 41.14 H new ATOM 0 HG23 VAL A 56 0.837 3.065 -7.212 1.00 41.14 H new ATOM 940 N GLN A 57 4.058 7.007 -6.557 1.00 75.40 N ATOM 941 CA GLN A 57 5.239 7.708 -6.034 1.00 43.30 C ATOM 942 C GLN A 57 4.926 8.388 -4.688 1.00 62.20 C ATOM 943 O GLN A 57 4.002 9.194 -4.586 1.00 21.01 O ATOM 944 CB GLN A 57 5.744 8.746 -7.049 1.00 74.13 C ATOM 945 CG GLN A 57 6.155 8.145 -8.390 1.00 61.52 C ATOM 946 CD GLN A 57 6.790 9.161 -9.325 1.00 40.13 C ATOM 947 OE1 GLN A 57 8.005 9.344 -9.333 1.00 43.40 O ATOM 948 NE2 GLN A 57 5.976 9.841 -10.109 1.00 43.11 N ATOM 0 H GLN A 57 3.254 7.612 -6.723 1.00 75.40 H new ATOM 0 HA GLN A 57 6.023 6.969 -5.870 1.00 43.30 H new ATOM 0 HB2 GLN A 57 4.962 9.486 -7.217 1.00 74.13 H new ATOM 0 HB3 GLN A 57 6.596 9.274 -6.621 1.00 74.13 H new ATOM 0 HG2 GLN A 57 6.857 7.330 -8.217 1.00 61.52 H new ATOM 0 HG3 GLN A 57 5.278 7.713 -8.873 1.00 61.52 H new ATOM 0 HE21 GLN A 57 4.972 9.664 -10.078 1.00 43.11 H new ATOM 0 HE22 GLN A 57 6.351 10.543 -10.747 1.00 43.11 H new ATOM 957 N PHE A 58 5.712 8.067 -3.662 1.00 31.44 N ATOM 958 CA PHE A 58 5.466 8.559 -2.297 1.00 21.13 C ATOM 959 C PHE A 58 6.278 9.834 -1.994 1.00 4.00 C ATOM 960 O PHE A 58 6.487 10.184 -0.834 1.00 24.34 O ATOM 961 CB PHE A 58 5.832 7.462 -1.284 1.00 33.25 C ATOM 962 CG PHE A 58 5.356 6.087 -1.688 1.00 2.23 C ATOM 963 CD1 PHE A 58 4.033 5.711 -1.512 1.00 12.21 C ATOM 964 CD2 PHE A 58 6.236 5.174 -2.254 1.00 71.33 C ATOM 965 CE1 PHE A 58 3.599 4.454 -1.892 1.00 50.11 C ATOM 966 CE2 PHE A 58 5.807 3.918 -2.632 1.00 14.53 C ATOM 967 CZ PHE A 58 4.487 3.558 -2.452 1.00 65.23 C ATOM 0 H PHE A 58 6.531 7.465 -3.746 1.00 31.44 H new ATOM 0 HA PHE A 58 4.408 8.810 -2.215 1.00 21.13 H new ATOM 0 HB2 PHE A 58 6.915 7.441 -1.158 1.00 33.25 H new ATOM 0 HB3 PHE A 58 5.404 7.716 -0.314 1.00 33.25 H new ATOM 0 HD1 PHE A 58 3.334 6.407 -1.073 1.00 12.21 H new ATOM 0 HD2 PHE A 58 7.270 5.450 -2.400 1.00 71.33 H new ATOM 0 HE1 PHE A 58 2.566 4.174 -1.751 1.00 50.11 H new ATOM 0 HE2 PHE A 58 6.504 3.217 -3.068 1.00 14.53 H new ATOM 0 HZ PHE A 58 4.149 2.576 -2.749 1.00 65.23 H new ATOM 977 N ASN A 59 6.719 10.534 -3.039 1.00 62.42 N ATOM 978 CA ASN A 59 7.589 11.711 -2.876 1.00 30.35 C ATOM 979 C ASN A 59 6.792 13.003 -2.609 1.00 73.13 C ATOM 980 O ASN A 59 7.373 14.084 -2.479 1.00 53.52 O ATOM 981 CB ASN A 59 8.450 11.895 -4.130 1.00 1.23 C ATOM 982 CG ASN A 59 7.623 12.282 -5.342 1.00 65.22 C ATOM 983 OD1 ASN A 59 7.147 11.434 -6.082 1.00 4.32 O ATOM 984 ND2 ASN A 59 7.448 13.569 -5.556 1.00 31.35 N ATOM 0 H ASN A 59 6.492 10.311 -4.008 1.00 62.42 H new ATOM 0 HA ASN A 59 8.218 11.528 -2.005 1.00 30.35 H new ATOM 0 HB2 ASN A 59 9.200 12.664 -3.944 1.00 1.23 H new ATOM 0 HB3 ASN A 59 8.987 10.970 -4.339 1.00 1.23 H new ATOM 0 HD21 ASN A 59 6.902 13.883 -6.358 1.00 31.35 H new ATOM 0 HD22 ASN A 59 7.858 14.252 -4.920 1.00 31.35 H new ATOM 991 N THR A 60 5.468 12.888 -2.525 1.00 65.24 N ATOM 992 CA THR A 60 4.587 14.059 -2.368 1.00 43.44 C ATOM 993 C THR A 60 4.020 14.175 -0.945 1.00 64.23 C ATOM 994 O THR A 60 3.955 13.195 -0.206 1.00 1.01 O ATOM 995 CB THR A 60 3.412 14.016 -3.381 1.00 24.43 C ATOM 996 OG1 THR A 60 2.441 15.035 -3.085 1.00 12.40 O ATOM 997 CG2 THR A 60 2.728 12.655 -3.381 1.00 3.51 C ATOM 0 H THR A 60 4.974 11.996 -2.562 1.00 65.24 H new ATOM 0 HA THR A 60 5.206 14.934 -2.564 1.00 43.44 H new ATOM 0 HB THR A 60 3.835 14.197 -4.369 1.00 24.43 H new ATOM 0 HG1 THR A 60 1.711 14.990 -3.737 1.00 12.40 H new ATOM 0 HG21 THR A 60 1.910 12.659 -4.101 1.00 3.51 H new ATOM 0 HG22 THR A 60 3.449 11.885 -3.655 1.00 3.51 H new ATOM 0 HG23 THR A 60 2.335 12.445 -2.386 1.00 3.51 H new ATOM 1005 N ASP A 61 3.590 15.384 -0.585 1.00 12.31 N ATOM 1006 CA ASP A 61 3.057 15.672 0.754 1.00 52.20 C ATOM 1007 C ASP A 61 1.689 14.996 0.976 1.00 33.22 C ATOM 1008 O ASP A 61 1.219 14.869 2.108 1.00 74.53 O ATOM 1009 CB ASP A 61 2.943 17.194 0.933 1.00 11.45 C ATOM 1010 CG ASP A 61 2.538 17.605 2.341 1.00 13.14 C ATOM 1011 OD1 ASP A 61 3.398 17.559 3.250 1.00 63.15 O ATOM 1012 OD2 ASP A 61 1.373 18.009 2.541 1.00 53.33 O ATOM 0 H ASP A 61 3.599 16.191 -1.208 1.00 12.31 H new ATOM 0 HA ASP A 61 3.742 15.265 1.498 1.00 52.20 H new ATOM 0 HB2 ASP A 61 3.900 17.654 0.689 1.00 11.45 H new ATOM 0 HB3 ASP A 61 2.212 17.583 0.224 1.00 11.45 H new ATOM 1017 N ARG A 62 1.051 14.571 -0.113 1.00 5.44 N ATOM 1018 CA ARG A 62 -0.238 13.870 -0.034 1.00 54.24 C ATOM 1019 C ARG A 62 -0.066 12.356 0.195 1.00 63.43 C ATOM 1020 O ARG A 62 -0.908 11.719 0.827 1.00 33.10 O ATOM 1021 CB ARG A 62 -1.050 14.100 -1.317 1.00 31.15 C ATOM 1022 CG ARG A 62 -1.500 15.545 -1.518 1.00 0.50 C ATOM 1023 CD ARG A 62 -2.368 15.700 -2.764 1.00 61.52 C ATOM 1024 NE ARG A 62 -2.835 17.073 -2.938 1.00 14.41 N ATOM 1025 CZ ARG A 62 -3.704 17.447 -3.841 1.00 71.43 C ATOM 1026 NH1 ARG A 62 -4.207 16.591 -4.674 1.00 22.33 N ATOM 1027 NH2 ARG A 62 -4.070 18.685 -3.899 1.00 41.40 N ATOM 0 H ARG A 62 1.402 14.698 -1.062 1.00 5.44 H new ATOM 0 HA ARG A 62 -0.771 14.282 0.823 1.00 54.24 H new ATOM 0 HB2 ARG A 62 -0.450 13.795 -2.174 1.00 31.15 H new ATOM 0 HB3 ARG A 62 -1.929 13.456 -1.298 1.00 31.15 H new ATOM 0 HG2 ARG A 62 -2.058 15.877 -0.643 1.00 0.50 H new ATOM 0 HG3 ARG A 62 -0.625 16.190 -1.602 1.00 0.50 H new ATOM 0 HD2 ARG A 62 -1.799 15.397 -3.643 1.00 61.52 H new ATOM 0 HD3 ARG A 62 -3.226 15.031 -2.694 1.00 61.52 H new ATOM 0 HE ARG A 62 -2.459 17.787 -2.314 1.00 14.41 H new ATOM 0 HH11 ARG A 62 -3.926 15.611 -4.630 1.00 22.33 H new ATOM 0 HH12 ARG A 62 -4.884 16.897 -5.373 1.00 22.33 H new ATOM 0 HH21 ARG A 62 -3.682 19.363 -3.243 1.00 41.40 H new ATOM 0 HH22 ARG A 62 -4.747 18.984 -4.601 1.00 41.40 H new ATOM 1041 N ILE A 63 1.023 11.783 -0.313 1.00 24.11 N ATOM 1042 CA ILE A 63 1.216 10.324 -0.278 1.00 5.52 C ATOM 1043 C ILE A 63 2.418 9.931 0.596 1.00 52.13 C ATOM 1044 O ILE A 63 3.471 10.569 0.547 1.00 50.50 O ATOM 1045 CB ILE A 63 1.419 9.751 -1.708 1.00 22.14 C ATOM 1046 CG1 ILE A 63 0.278 10.198 -2.642 1.00 21.41 C ATOM 1047 CG2 ILE A 63 1.515 8.226 -1.674 1.00 20.45 C ATOM 1048 CD1 ILE A 63 -1.092 9.709 -2.224 1.00 13.44 C ATOM 0 H ILE A 63 1.785 12.299 -0.753 1.00 24.11 H new ATOM 0 HA ILE A 63 0.311 9.899 0.157 1.00 5.52 H new ATOM 0 HB ILE A 63 2.358 10.144 -2.099 1.00 22.14 H new ATOM 0 HG12 ILE A 63 0.265 11.287 -2.686 1.00 21.41 H new ATOM 0 HG13 ILE A 63 0.487 9.840 -3.650 1.00 21.41 H new ATOM 0 HG21 ILE A 63 1.657 7.848 -2.686 1.00 20.45 H new ATOM 0 HG22 ILE A 63 2.360 7.928 -1.054 1.00 20.45 H new ATOM 0 HG23 ILE A 63 0.596 7.813 -1.258 1.00 20.45 H new ATOM 0 HD11 ILE A 63 -1.838 10.067 -2.933 1.00 13.44 H new ATOM 0 HD12 ILE A 63 -1.100 8.619 -2.208 1.00 13.44 H new ATOM 0 HD13 ILE A 63 -1.326 10.088 -1.229 1.00 13.44 H new ATOM 1060 N SER A 64 2.256 8.876 1.393 1.00 42.05 N ATOM 1061 CA SER A 64 3.337 8.384 2.262 1.00 72.01 C ATOM 1062 C SER A 64 3.179 6.887 2.564 1.00 64.02 C ATOM 1063 O SER A 64 2.062 6.374 2.658 1.00 21.35 O ATOM 1064 CB SER A 64 3.369 9.174 3.578 1.00 40.11 C ATOM 1065 OG SER A 64 2.144 9.046 4.294 1.00 62.30 O ATOM 0 H SER A 64 1.389 8.342 1.459 1.00 42.05 H new ATOM 0 HA SER A 64 4.277 8.529 1.729 1.00 72.01 H new ATOM 0 HB2 SER A 64 4.192 8.818 4.197 1.00 40.11 H new ATOM 0 HB3 SER A 64 3.560 10.226 3.367 1.00 40.11 H new ATOM 0 HG SER A 64 2.197 9.559 5.127 1.00 62.30 H new ATOM 1071 N LEU A 65 4.305 6.198 2.717 1.00 14.15 N ATOM 1072 CA LEU A 65 4.319 4.756 2.998 1.00 41.40 C ATOM 1073 C LEU A 65 5.390 4.412 4.042 1.00 13.42 C ATOM 1074 O LEU A 65 6.520 4.899 3.967 1.00 4.24 O ATOM 1075 CB LEU A 65 4.596 3.973 1.705 1.00 30.25 C ATOM 1076 CG LEU A 65 4.710 2.444 1.865 1.00 24.14 C ATOM 1077 CD1 LEU A 65 3.368 1.832 2.262 1.00 61.54 C ATOM 1078 CD2 LEU A 65 5.242 1.805 0.585 1.00 71.14 C ATOM 0 H LEU A 65 5.233 6.616 2.651 1.00 14.15 H new ATOM 0 HA LEU A 65 3.343 4.477 3.394 1.00 41.40 H new ATOM 0 HB2 LEU A 65 3.799 4.188 0.993 1.00 30.25 H new ATOM 0 HB3 LEU A 65 5.522 4.345 1.267 1.00 30.25 H new ATOM 0 HG LEU A 65 5.420 2.241 2.667 1.00 24.14 H new ATOM 0 HD11 LEU A 65 3.477 0.753 2.368 1.00 61.54 H new ATOM 0 HD12 LEU A 65 3.040 2.258 3.210 1.00 61.54 H new ATOM 0 HD13 LEU A 65 2.628 2.048 1.492 1.00 61.54 H new ATOM 0 HD21 LEU A 65 5.315 0.726 0.720 1.00 71.14 H new ATOM 0 HD22 LEU A 65 4.563 2.023 -0.240 1.00 71.14 H new ATOM 0 HD23 LEU A 65 6.229 2.210 0.359 1.00 71.14 H new ATOM 1090 N TYR A 66 5.034 3.589 5.025 1.00 44.43 N ATOM 1091 CA TYR A 66 6.010 3.112 6.012 1.00 61.23 C ATOM 1092 C TYR A 66 5.743 1.655 6.409 1.00 0.43 C ATOM 1093 O TYR A 66 4.612 1.173 6.333 1.00 61.12 O ATOM 1094 CB TYR A 66 6.017 4.015 7.258 1.00 11.22 C ATOM 1095 CG TYR A 66 4.751 3.962 8.101 1.00 24.31 C ATOM 1096 CD1 TYR A 66 3.639 4.731 7.776 1.00 22.33 C ATOM 1097 CD2 TYR A 66 4.679 3.153 9.234 1.00 22.33 C ATOM 1098 CE1 TYR A 66 2.494 4.695 8.550 1.00 61.40 C ATOM 1099 CE2 TYR A 66 3.538 3.113 10.012 1.00 21.03 C ATOM 1100 CZ TYR A 66 2.449 3.885 9.668 1.00 20.41 C ATOM 1101 OH TYR A 66 1.309 3.847 10.440 1.00 55.40 O ATOM 0 H TYR A 66 4.086 3.239 5.163 1.00 44.43 H new ATOM 0 HA TYR A 66 6.994 3.157 5.545 1.00 61.23 H new ATOM 0 HB2 TYR A 66 6.864 3.736 7.885 1.00 11.22 H new ATOM 0 HB3 TYR A 66 6.181 5.045 6.940 1.00 11.22 H new ATOM 0 HD1 TYR A 66 3.670 5.367 6.904 1.00 22.33 H new ATOM 0 HD2 TYR A 66 5.530 2.547 9.508 1.00 22.33 H new ATOM 0 HE1 TYR A 66 1.639 5.297 8.282 1.00 61.40 H new ATOM 0 HE2 TYR A 66 3.499 2.480 10.886 1.00 21.03 H new ATOM 0 HH TYR A 66 1.441 3.227 11.188 1.00 55.40 H new ATOM 1111 N GLN A 67 6.799 0.956 6.818 1.00 51.34 N ATOM 1112 CA GLN A 67 6.673 -0.409 7.336 1.00 44.15 C ATOM 1113 C GLN A 67 7.315 -0.519 8.728 1.00 52.55 C ATOM 1114 O GLN A 67 8.397 0.023 8.972 1.00 24.03 O ATOM 1115 CB GLN A 67 7.300 -1.428 6.370 1.00 5.33 C ATOM 1116 CG GLN A 67 8.779 -1.194 6.079 1.00 25.22 C ATOM 1117 CD GLN A 67 9.397 -2.311 5.254 1.00 50.42 C ATOM 1118 OE1 GLN A 67 9.909 -3.285 5.792 1.00 44.23 O ATOM 1119 NE2 GLN A 67 9.362 -2.177 3.944 1.00 31.21 N ATOM 0 H GLN A 67 7.755 1.311 6.802 1.00 51.34 H new ATOM 0 HA GLN A 67 5.611 -0.639 7.424 1.00 44.15 H new ATOM 0 HB2 GLN A 67 7.178 -2.428 6.787 1.00 5.33 H new ATOM 0 HB3 GLN A 67 6.749 -1.405 5.430 1.00 5.33 H new ATOM 0 HG2 GLN A 67 8.896 -0.249 5.549 1.00 25.22 H new ATOM 0 HG3 GLN A 67 9.320 -1.101 7.020 1.00 25.22 H new ATOM 0 HE21 GLN A 67 8.928 -1.353 3.527 1.00 31.21 H new ATOM 0 HE22 GLN A 67 9.769 -2.897 3.347 1.00 31.21 H new ATOM 1128 N ASP A 68 6.635 -1.207 9.639 1.00 40.12 N ATOM 1129 CA ASP A 68 7.098 -1.337 11.024 1.00 54.25 C ATOM 1130 C ASP A 68 7.895 -2.639 11.246 1.00 74.42 C ATOM 1131 O ASP A 68 7.814 -3.576 10.452 1.00 62.20 O ATOM 1132 CB ASP A 68 5.895 -1.284 11.973 1.00 13.02 C ATOM 1133 CG ASP A 68 6.309 -1.324 13.431 1.00 23.11 C ATOM 1134 OD1 ASP A 68 6.665 -0.267 13.983 1.00 25.32 O ATOM 1135 OD2 ASP A 68 6.311 -2.419 14.022 1.00 64.21 O ATOM 0 H ASP A 68 5.756 -1.687 9.446 1.00 40.12 H new ATOM 0 HA ASP A 68 7.771 -0.506 11.234 1.00 54.25 H new ATOM 0 HB2 ASP A 68 5.326 -0.374 11.784 1.00 13.02 H new ATOM 0 HB3 ASP A 68 5.232 -2.123 11.763 1.00 13.02 H new ATOM 1140 N ASN A 69 8.644 -2.686 12.353 1.00 33.40 N ATOM 1141 CA ASN A 69 9.476 -3.846 12.715 1.00 25.45 C ATOM 1142 C ASN A 69 8.661 -5.153 12.801 1.00 64.24 C ATOM 1143 O ASN A 69 9.183 -6.239 12.541 1.00 32.43 O ATOM 1144 CB ASN A 69 10.163 -3.586 14.060 1.00 45.32 C ATOM 1145 CG ASN A 69 10.831 -2.227 14.109 1.00 33.15 C ATOM 1146 OD1 ASN A 69 10.116 -1.235 14.604 1.00 30.31 O flip ATOM 1147 ND2 ASN A 69 11.981 -2.069 13.712 1.00 52.42 N flip ATOM 0 H ASN A 69 8.693 -1.921 13.026 1.00 33.40 H new ATOM 0 HA ASN A 69 10.217 -3.972 11.925 1.00 25.45 H new ATOM 0 HB2 ASN A 69 9.427 -3.656 14.861 1.00 45.32 H new ATOM 0 HB3 ASN A 69 10.907 -4.361 14.242 1.00 45.32 H new ATOM 0 HD21 ASN A 69 12.504 -2.860 13.335 1.00 52.42 H new ATOM 0 HD22 ASN A 69 12.414 -1.147 13.759 1.00 52.42 H new ATOM 1154 N THR A 70 7.387 -5.047 13.179 1.00 44.54 N ATOM 1155 CA THR A 70 6.500 -6.223 13.271 1.00 63.40 C ATOM 1156 C THR A 70 5.991 -6.663 11.883 1.00 43.44 C ATOM 1157 O THR A 70 5.191 -7.594 11.765 1.00 52.04 O ATOM 1158 CB THR A 70 5.283 -5.959 14.201 1.00 2.34 C ATOM 1159 OG1 THR A 70 4.552 -7.179 14.431 1.00 50.42 O ATOM 1160 CG2 THR A 70 4.345 -4.911 13.605 1.00 10.53 C ATOM 0 H THR A 70 6.940 -4.164 13.427 1.00 44.54 H new ATOM 0 HA THR A 70 7.102 -7.024 13.699 1.00 63.40 H new ATOM 0 HB THR A 70 5.670 -5.581 15.148 1.00 2.34 H new ATOM 0 HG1 THR A 70 4.477 -7.679 13.591 1.00 50.42 H new ATOM 0 HG21 THR A 70 3.504 -4.749 14.280 1.00 10.53 H new ATOM 0 HG22 THR A 70 4.886 -3.975 13.468 1.00 10.53 H new ATOM 0 HG23 THR A 70 3.975 -5.260 12.641 1.00 10.53 H new ATOM 1168 N GLY A 71 6.459 -5.986 10.832 1.00 61.51 N ATOM 1169 CA GLY A 71 6.038 -6.313 9.472 1.00 1.34 C ATOM 1170 C GLY A 71 4.727 -5.645 9.074 1.00 62.12 C ATOM 1171 O GLY A 71 4.005 -6.142 8.210 1.00 0.12 O ATOM 0 H GLY A 71 7.124 -5.215 10.897 1.00 61.51 H new ATOM 0 HA2 GLY A 71 6.819 -6.011 8.774 1.00 1.34 H new ATOM 0 HA3 GLY A 71 5.930 -7.394 9.382 1.00 1.34 H new ATOM 1175 N ARG A 72 4.413 -4.521 9.713 1.00 44.24 N ATOM 1176 CA ARG A 72 3.180 -3.782 9.415 1.00 2.22 C ATOM 1177 C ARG A 72 3.414 -2.751 8.300 1.00 63.30 C ATOM 1178 O ARG A 72 4.116 -1.760 8.500 1.00 10.44 O ATOM 1179 CB ARG A 72 2.668 -3.069 10.678 1.00 44.22 C ATOM 1180 CG ARG A 72 1.343 -2.335 10.478 1.00 14.35 C ATOM 1181 CD ARG A 72 0.972 -1.489 11.693 1.00 44.15 C ATOM 1182 NE ARG A 72 -0.291 -0.773 11.510 1.00 54.11 N ATOM 1183 CZ ARG A 72 -0.501 0.460 11.894 1.00 64.20 C ATOM 1184 NH1 ARG A 72 0.444 1.151 12.445 1.00 61.12 N ATOM 1185 NH2 ARG A 72 -1.662 1.001 11.719 1.00 53.43 N ATOM 0 H ARG A 72 4.991 -4.099 10.440 1.00 44.24 H new ATOM 0 HA ARG A 72 2.432 -4.498 9.076 1.00 2.22 H new ATOM 0 HB2 ARG A 72 2.549 -3.803 11.475 1.00 44.22 H new ATOM 0 HB3 ARG A 72 3.421 -2.355 11.011 1.00 44.22 H new ATOM 0 HG2 ARG A 72 1.411 -1.696 9.598 1.00 14.35 H new ATOM 0 HG3 ARG A 72 0.552 -3.060 10.285 1.00 14.35 H new ATOM 0 HD2 ARG A 72 0.898 -2.131 12.571 1.00 44.15 H new ATOM 0 HD3 ARG A 72 1.768 -0.771 11.889 1.00 44.15 H new ATOM 0 HE ARG A 72 -1.058 -1.267 11.053 1.00 54.11 H new ATOM 0 HH11 ARG A 72 1.365 0.735 12.584 1.00 61.12 H new ATOM 0 HH12 ARG A 72 0.268 2.111 12.740 1.00 61.12 H new ATOM 0 HH21 ARG A 72 -2.413 0.467 11.282 1.00 53.43 H new ATOM 0 HH22 ARG A 72 -1.827 1.962 12.018 1.00 53.43 H new ATOM 1199 N VAL A 73 2.824 -2.991 7.135 1.00 41.45 N ATOM 1200 CA VAL A 73 2.908 -2.053 6.012 1.00 13.33 C ATOM 1201 C VAL A 73 1.689 -1.128 6.001 1.00 30.22 C ATOM 1202 O VAL A 73 0.551 -1.590 6.034 1.00 32.40 O ATOM 1203 CB VAL A 73 2.997 -2.810 4.664 1.00 11.51 C ATOM 1204 CG1 VAL A 73 3.010 -1.839 3.483 1.00 43.15 C ATOM 1205 CG2 VAL A 73 4.230 -3.712 4.640 1.00 70.23 C ATOM 0 H VAL A 73 2.279 -3.830 6.939 1.00 41.45 H new ATOM 0 HA VAL A 73 3.812 -1.458 6.139 1.00 13.33 H new ATOM 0 HB VAL A 73 2.109 -3.435 4.568 1.00 11.51 H new ATOM 0 HG11 VAL A 73 3.073 -2.401 2.551 1.00 43.15 H new ATOM 0 HG12 VAL A 73 2.095 -1.247 3.489 1.00 43.15 H new ATOM 0 HG13 VAL A 73 3.871 -1.176 3.566 1.00 43.15 H new ATOM 0 HG21 VAL A 73 4.278 -4.237 3.686 1.00 70.23 H new ATOM 0 HG22 VAL A 73 5.127 -3.106 4.766 1.00 70.23 H new ATOM 0 HG23 VAL A 73 4.166 -4.438 5.451 1.00 70.23 H new ATOM 1215 N THR A 74 1.919 0.181 5.968 1.00 1.41 N ATOM 1216 CA THR A 74 0.816 1.150 6.007 1.00 11.53 C ATOM 1217 C THR A 74 0.978 2.259 4.961 1.00 24.43 C ATOM 1218 O THR A 74 1.947 3.023 4.991 1.00 43.11 O ATOM 1219 CB THR A 74 0.688 1.797 7.406 1.00 42.35 C ATOM 1220 OG1 THR A 74 0.567 0.778 8.413 1.00 62.53 O ATOM 1221 CG2 THR A 74 -0.525 2.723 7.476 1.00 34.33 C ATOM 0 H THR A 74 2.848 0.598 5.915 1.00 1.41 H new ATOM 0 HA THR A 74 -0.089 0.587 5.778 1.00 11.53 H new ATOM 0 HB THR A 74 1.587 2.386 7.585 1.00 42.35 H new ATOM 0 HG1 THR A 74 0.488 1.198 9.295 1.00 62.53 H new ATOM 0 HG21 THR A 74 -0.590 3.163 8.471 1.00 34.33 H new ATOM 0 HG22 THR A 74 -0.421 3.515 6.734 1.00 34.33 H new ATOM 0 HG23 THR A 74 -1.431 2.152 7.273 1.00 34.33 H new ATOM 1229 N LEU A 75 0.022 2.330 4.039 1.00 0.14 N ATOM 1230 CA LEU A 75 -0.040 3.397 3.038 1.00 31.03 C ATOM 1231 C LEU A 75 -1.055 4.473 3.457 1.00 25.13 C ATOM 1232 O LEU A 75 -2.229 4.178 3.693 1.00 32.11 O ATOM 1233 CB LEU A 75 -0.431 2.818 1.667 1.00 52.40 C ATOM 1234 CG LEU A 75 -0.567 3.845 0.528 1.00 70.30 C ATOM 1235 CD1 LEU A 75 0.768 4.524 0.246 1.00 2.23 C ATOM 1236 CD2 LEU A 75 -1.115 3.185 -0.733 1.00 54.43 C ATOM 0 H LEU A 75 -0.734 1.649 3.963 1.00 0.14 H new ATOM 0 HA LEU A 75 0.946 3.855 2.964 1.00 31.03 H new ATOM 0 HB2 LEU A 75 0.316 2.078 1.378 1.00 52.40 H new ATOM 0 HB3 LEU A 75 -1.379 2.290 1.772 1.00 52.40 H new ATOM 0 HG LEU A 75 -1.275 4.610 0.846 1.00 70.30 H new ATOM 0 HD11 LEU A 75 0.646 5.245 -0.562 1.00 2.23 H new ATOM 0 HD12 LEU A 75 1.111 5.039 1.143 1.00 2.23 H new ATOM 0 HD13 LEU A 75 1.503 3.774 -0.045 1.00 2.23 H new ATOM 0 HD21 LEU A 75 -1.203 3.929 -1.524 1.00 54.43 H new ATOM 0 HD22 LEU A 75 -0.438 2.393 -1.053 1.00 54.43 H new ATOM 0 HD23 LEU A 75 -2.097 2.760 -0.524 1.00 54.43 H new ATOM 1248 N LEU A 76 -0.594 5.718 3.556 1.00 61.23 N ATOM 1249 CA LEU A 76 -1.456 6.844 3.938 1.00 1.13 C ATOM 1250 C LEU A 76 -1.657 7.811 2.762 1.00 42.22 C ATOM 1251 O LEU A 76 -0.722 8.492 2.334 1.00 3.50 O ATOM 1252 CB LEU A 76 -0.848 7.590 5.136 1.00 13.02 C ATOM 1253 CG LEU A 76 -0.659 6.749 6.410 1.00 2.53 C ATOM 1254 CD1 LEU A 76 0.023 7.565 7.507 1.00 72.32 C ATOM 1255 CD2 LEU A 76 -2.000 6.201 6.899 1.00 55.03 C ATOM 0 H LEU A 76 0.376 5.977 3.377 1.00 61.23 H new ATOM 0 HA LEU A 76 -2.431 6.445 4.220 1.00 1.13 H new ATOM 0 HB2 LEU A 76 0.121 7.991 4.839 1.00 13.02 H new ATOM 0 HB3 LEU A 76 -1.486 8.441 5.374 1.00 13.02 H new ATOM 0 HG LEU A 76 -0.013 5.906 6.165 1.00 2.53 H new ATOM 0 HD11 LEU A 76 0.145 6.948 8.397 1.00 72.32 H new ATOM 0 HD12 LEU A 76 1.001 7.897 7.159 1.00 72.32 H new ATOM 0 HD13 LEU A 76 -0.590 8.433 7.749 1.00 72.32 H new ATOM 0 HD21 LEU A 76 -1.844 5.609 7.801 1.00 55.03 H new ATOM 0 HD22 LEU A 76 -2.673 7.030 7.120 1.00 55.03 H new ATOM 0 HD23 LEU A 76 -2.441 5.573 6.125 1.00 55.03 H new ATOM 1267 N ILE A 77 -2.885 7.863 2.246 1.00 41.13 N ATOM 1268 CA ILE A 77 -3.227 8.737 1.119 1.00 73.25 C ATOM 1269 C ILE A 77 -4.081 9.925 1.589 1.00 33.35 C ATOM 1270 O ILE A 77 -5.221 9.752 2.022 1.00 64.44 O ATOM 1271 CB ILE A 77 -3.989 7.945 0.026 1.00 2.50 C ATOM 1272 CG1 ILE A 77 -3.120 6.780 -0.481 1.00 31.33 C ATOM 1273 CG2 ILE A 77 -4.402 8.861 -1.126 1.00 33.33 C ATOM 1274 CD1 ILE A 77 -3.801 5.898 -1.505 1.00 22.01 C ATOM 0 H ILE A 77 -3.666 7.306 2.592 1.00 41.13 H new ATOM 0 HA ILE A 77 -2.297 9.118 0.697 1.00 73.25 H new ATOM 0 HB ILE A 77 -4.899 7.536 0.464 1.00 2.50 H new ATOM 0 HG12 ILE A 77 -2.207 7.185 -0.917 1.00 31.33 H new ATOM 0 HG13 ILE A 77 -2.822 6.167 0.369 1.00 31.33 H new ATOM 0 HG21 ILE A 77 -4.935 8.281 -1.879 1.00 33.33 H new ATOM 0 HG22 ILE A 77 -5.053 9.650 -0.748 1.00 33.33 H new ATOM 0 HG23 ILE A 77 -3.513 9.307 -1.573 1.00 33.33 H new ATOM 0 HD11 ILE A 77 -3.121 5.103 -1.810 1.00 22.01 H new ATOM 0 HD12 ILE A 77 -4.699 5.460 -1.069 1.00 22.01 H new ATOM 0 HD13 ILE A 77 -4.074 6.495 -2.375 1.00 22.01 H new ATOM 1286 N LYS A 78 -3.518 11.129 1.514 1.00 52.44 N ATOM 1287 CA LYS A 78 -4.185 12.337 2.015 1.00 31.32 C ATOM 1288 C LYS A 78 -4.568 13.306 0.883 1.00 74.11 C ATOM 1289 O LYS A 78 -3.871 13.404 -0.125 1.00 4.44 O ATOM 1290 CB LYS A 78 -3.276 13.058 3.022 1.00 71.21 C ATOM 1291 CG LYS A 78 -2.866 12.196 4.213 1.00 22.03 C ATOM 1292 CD LYS A 78 -2.047 12.986 5.229 1.00 71.31 C ATOM 1293 CE LYS A 78 -1.660 12.133 6.435 1.00 51.23 C ATOM 1294 NZ LYS A 78 -1.011 12.941 7.502 1.00 53.14 N ATOM 0 H LYS A 78 -2.597 11.298 1.110 1.00 52.44 H new ATOM 0 HA LYS A 78 -5.106 12.018 2.502 1.00 31.32 H new ATOM 0 HB2 LYS A 78 -2.378 13.399 2.507 1.00 71.21 H new ATOM 0 HB3 LYS A 78 -3.790 13.947 3.389 1.00 71.21 H new ATOM 0 HG2 LYS A 78 -3.757 11.797 4.697 1.00 22.03 H new ATOM 0 HG3 LYS A 78 -2.285 11.343 3.862 1.00 22.03 H new ATOM 0 HD2 LYS A 78 -1.145 13.368 4.750 1.00 71.31 H new ATOM 0 HD3 LYS A 78 -2.620 13.850 5.564 1.00 71.31 H new ATOM 0 HE2 LYS A 78 -2.550 11.649 6.837 1.00 51.23 H new ATOM 0 HE3 LYS A 78 -0.982 11.341 6.117 1.00 51.23 H new ATOM 0 HZ1 LYS A 78 -0.764 12.325 8.302 1.00 53.14 H new ATOM 0 HZ2 LYS A 78 -0.148 13.383 7.126 1.00 53.14 H new ATOM 0 HZ3 LYS A 78 -1.667 13.681 7.824 1.00 53.14 H new ATOM 1308 N ASP A 79 -5.687 14.012 1.073 1.00 61.12 N ATOM 1309 CA ASP A 79 -6.133 15.061 0.147 1.00 72.22 C ATOM 1310 C ASP A 79 -6.308 14.511 -1.286 1.00 73.23 C ATOM 1311 O ASP A 79 -5.984 15.174 -2.270 1.00 30.20 O ATOM 1312 CB ASP A 79 -5.137 16.234 0.181 1.00 50.32 C ATOM 1313 CG ASP A 79 -5.798 17.571 -0.108 1.00 12.43 C ATOM 1314 OD1 ASP A 79 -6.474 18.105 0.796 1.00 70.33 O ATOM 1315 OD2 ASP A 79 -5.637 18.101 -1.224 1.00 54.14 O ATOM 0 H ASP A 79 -6.308 13.874 1.870 1.00 61.12 H new ATOM 0 HA ASP A 79 -7.111 15.421 0.468 1.00 72.22 H new ATOM 0 HB2 ASP A 79 -4.661 16.273 1.161 1.00 50.32 H new ATOM 0 HB3 ASP A 79 -4.348 16.057 -0.550 1.00 50.32 H new ATOM 1320 N VAL A 80 -6.852 13.301 -1.384 1.00 5.33 N ATOM 1321 CA VAL A 80 -7.009 12.616 -2.673 1.00 71.21 C ATOM 1322 C VAL A 80 -8.322 13.022 -3.381 1.00 61.31 C ATOM 1323 O VAL A 80 -9.321 13.330 -2.728 1.00 30.31 O ATOM 1324 CB VAL A 80 -6.978 11.075 -2.471 1.00 44.05 C ATOM 1325 CG1 VAL A 80 -8.248 10.577 -1.791 1.00 33.42 C ATOM 1326 CG2 VAL A 80 -6.750 10.344 -3.786 1.00 31.31 C ATOM 0 H VAL A 80 -7.194 12.769 -0.584 1.00 5.33 H new ATOM 0 HA VAL A 80 -6.176 12.918 -3.307 1.00 71.21 H new ATOM 0 HB VAL A 80 -6.136 10.854 -1.815 1.00 44.05 H new ATOM 0 HG11 VAL A 80 -8.193 9.496 -1.665 1.00 33.42 H new ATOM 0 HG12 VAL A 80 -8.348 11.051 -0.815 1.00 33.42 H new ATOM 0 HG13 VAL A 80 -9.112 10.827 -2.406 1.00 33.42 H new ATOM 0 HG21 VAL A 80 -6.734 9.269 -3.607 1.00 31.31 H new ATOM 0 HG22 VAL A 80 -7.555 10.584 -4.480 1.00 31.31 H new ATOM 0 HG23 VAL A 80 -5.797 10.654 -4.214 1.00 31.31 H new ATOM 1336 N ASN A 81 -8.309 13.034 -4.717 1.00 22.54 N ATOM 1337 CA ASN A 81 -9.506 13.370 -5.504 1.00 35.41 C ATOM 1338 C ASN A 81 -9.884 12.242 -6.486 1.00 34.23 C ATOM 1339 O ASN A 81 -9.195 11.226 -6.576 1.00 32.45 O ATOM 1340 CB ASN A 81 -9.300 14.702 -6.244 1.00 72.21 C ATOM 1341 CG ASN A 81 -8.013 14.741 -7.048 1.00 12.42 C ATOM 1342 OD1 ASN A 81 -6.960 15.098 -6.535 1.00 63.01 O ATOM 1343 ND2 ASN A 81 -8.086 14.406 -8.319 1.00 72.14 N ATOM 0 H ASN A 81 -7.486 12.816 -5.278 1.00 22.54 H new ATOM 0 HA ASN A 81 -10.340 13.481 -4.811 1.00 35.41 H new ATOM 0 HB2 ASN A 81 -10.144 14.875 -6.911 1.00 72.21 H new ATOM 0 HB3 ASN A 81 -9.294 15.517 -5.520 1.00 72.21 H new ATOM 0 HD21 ASN A 81 -7.251 14.440 -8.904 1.00 72.14 H new ATOM 0 HD22 ASN A 81 -8.977 14.112 -8.719 1.00 72.14 H new ATOM 1350 N LYS A 82 -10.984 12.439 -7.223 1.00 20.35 N ATOM 1351 CA LYS A 82 -11.544 11.403 -8.114 1.00 64.32 C ATOM 1352 C LYS A 82 -10.500 10.804 -9.074 1.00 25.43 C ATOM 1353 O LYS A 82 -10.415 9.584 -9.223 1.00 34.35 O ATOM 1354 CB LYS A 82 -12.717 11.987 -8.916 1.00 20.11 C ATOM 1355 CG LYS A 82 -13.903 12.407 -8.048 1.00 24.24 C ATOM 1356 CD LYS A 82 -14.605 11.203 -7.421 1.00 42.23 C ATOM 1357 CE LYS A 82 -15.360 10.388 -8.463 1.00 62.45 C ATOM 1358 NZ LYS A 82 -15.868 9.103 -7.909 1.00 53.14 N ATOM 0 H LYS A 82 -11.511 13.312 -7.223 1.00 20.35 H new ATOM 0 HA LYS A 82 -11.889 10.589 -7.477 1.00 64.32 H new ATOM 0 HB2 LYS A 82 -12.366 12.851 -9.480 1.00 20.11 H new ATOM 0 HB3 LYS A 82 -13.053 11.247 -9.643 1.00 20.11 H new ATOM 0 HG2 LYS A 82 -13.557 13.076 -7.260 1.00 24.24 H new ATOM 0 HG3 LYS A 82 -14.615 12.968 -8.653 1.00 24.24 H new ATOM 0 HD2 LYS A 82 -13.869 10.569 -6.926 1.00 42.23 H new ATOM 0 HD3 LYS A 82 -15.299 11.545 -6.653 1.00 42.23 H new ATOM 0 HE2 LYS A 82 -16.196 10.974 -8.844 1.00 62.45 H new ATOM 0 HE3 LYS A 82 -14.703 10.183 -9.308 1.00 62.45 H new ATOM 0 HZ1 LYS A 82 -15.655 8.331 -8.572 1.00 53.14 H new ATOM 0 HZ2 LYS A 82 -15.407 8.912 -6.996 1.00 53.14 H new ATOM 0 HZ3 LYS A 82 -16.897 9.167 -7.771 1.00 53.14 H new ATOM 1372 N LYS A 83 -9.709 11.660 -9.716 1.00 41.13 N ATOM 1373 CA LYS A 83 -8.687 11.210 -10.679 1.00 61.10 C ATOM 1374 C LYS A 83 -7.657 10.250 -10.055 1.00 22.33 C ATOM 1375 O LYS A 83 -7.035 9.460 -10.764 1.00 12.33 O ATOM 1376 CB LYS A 83 -7.963 12.420 -11.287 1.00 74.24 C ATOM 1377 CG LYS A 83 -8.856 13.297 -12.160 1.00 43.31 C ATOM 1378 CD LYS A 83 -9.432 12.516 -13.339 1.00 54.24 C ATOM 1379 CE LYS A 83 -10.321 13.388 -14.215 1.00 22.33 C ATOM 1380 NZ LYS A 83 -10.901 12.624 -15.349 1.00 14.22 N ATOM 0 H LYS A 83 -9.750 12.672 -9.592 1.00 41.13 H new ATOM 0 HA LYS A 83 -9.213 10.658 -11.458 1.00 61.10 H new ATOM 0 HB2 LYS A 83 -7.550 13.027 -10.481 1.00 74.24 H new ATOM 0 HB3 LYS A 83 -7.122 12.066 -11.884 1.00 74.24 H new ATOM 0 HG2 LYS A 83 -9.670 13.701 -11.558 1.00 43.31 H new ATOM 0 HG3 LYS A 83 -8.282 14.146 -12.531 1.00 43.31 H new ATOM 0 HD2 LYS A 83 -8.617 12.110 -13.939 1.00 54.24 H new ATOM 0 HD3 LYS A 83 -10.008 11.668 -12.967 1.00 54.24 H new ATOM 0 HE2 LYS A 83 -11.125 13.808 -13.611 1.00 22.33 H new ATOM 0 HE3 LYS A 83 -9.741 14.226 -14.601 1.00 22.33 H new ATOM 0 HZ1 LYS A 83 -11.500 13.253 -15.921 1.00 14.22 H new ATOM 0 HZ2 LYS A 83 -10.134 12.244 -15.940 1.00 14.22 H new ATOM 0 HZ3 LYS A 83 -11.476 11.839 -14.981 1.00 14.22 H new ATOM 1394 N ASP A 84 -7.478 10.318 -8.738 1.00 43.43 N ATOM 1395 CA ASP A 84 -6.478 9.490 -8.053 1.00 21.22 C ATOM 1396 C ASP A 84 -7.065 8.175 -7.504 1.00 34.20 C ATOM 1397 O ASP A 84 -6.343 7.375 -6.904 1.00 42.32 O ATOM 1398 CB ASP A 84 -5.819 10.283 -6.924 1.00 74.45 C ATOM 1399 CG ASP A 84 -5.061 11.493 -7.440 1.00 14.03 C ATOM 1400 OD1 ASP A 84 -3.876 11.349 -7.815 1.00 41.52 O ATOM 1401 OD2 ASP A 84 -5.645 12.595 -7.483 1.00 73.15 O ATOM 0 H ASP A 84 -8.008 10.934 -8.122 1.00 43.43 H new ATOM 0 HA ASP A 84 -5.730 9.218 -8.798 1.00 21.22 H new ATOM 0 HB2 ASP A 84 -6.582 10.609 -6.217 1.00 74.45 H new ATOM 0 HB3 ASP A 84 -5.135 9.634 -6.377 1.00 74.45 H new ATOM 1406 N ALA A 85 -8.363 7.946 -7.697 1.00 22.43 N ATOM 1407 CA ALA A 85 -8.982 6.692 -7.249 1.00 24.25 C ATOM 1408 C ALA A 85 -8.761 5.567 -8.273 1.00 15.12 C ATOM 1409 O ALA A 85 -8.781 5.800 -9.484 1.00 71.12 O ATOM 1410 CB ALA A 85 -10.473 6.900 -7.008 1.00 32.25 C ATOM 0 H ALA A 85 -9.001 8.599 -8.153 1.00 22.43 H new ATOM 0 HA ALA A 85 -8.507 6.395 -6.314 1.00 24.25 H new ATOM 0 HB1 ALA A 85 -10.922 5.964 -6.676 1.00 32.25 H new ATOM 0 HB2 ALA A 85 -10.615 7.662 -6.242 1.00 32.25 H new ATOM 0 HB3 ALA A 85 -10.950 7.223 -7.934 1.00 32.25 H new ATOM 1416 N GLY A 86 -8.565 4.343 -7.782 1.00 71.42 N ATOM 1417 CA GLY A 86 -8.338 3.211 -8.672 1.00 2.41 C ATOM 1418 C GLY A 86 -8.093 1.897 -7.935 1.00 13.41 C ATOM 1419 O GLY A 86 -8.225 1.820 -6.709 1.00 4.41 O ATOM 0 H GLY A 86 -8.559 4.115 -6.788 1.00 71.42 H new ATOM 0 HA2 GLY A 86 -9.201 3.095 -9.327 1.00 2.41 H new ATOM 0 HA3 GLY A 86 -7.480 3.426 -9.309 1.00 2.41 H new ATOM 1423 N TRP A 87 -7.733 0.860 -8.689 1.00 24.10 N ATOM 1424 CA TRP A 87 -7.317 -0.422 -8.106 1.00 1.45 C ATOM 1425 C TRP A 87 -5.801 -0.456 -7.862 1.00 61.01 C ATOM 1426 O TRP A 87 -5.001 -0.283 -8.786 1.00 41.21 O ATOM 1427 CB TRP A 87 -7.731 -1.591 -9.013 1.00 71.35 C ATOM 1428 CG TRP A 87 -9.122 -2.086 -8.744 1.00 45.11 C ATOM 1429 CD1 TRP A 87 -10.288 -1.607 -9.267 1.00 53.23 C ATOM 1430 CD2 TRP A 87 -9.485 -3.163 -7.873 1.00 31.44 C ATOM 1431 NE1 TRP A 87 -11.353 -2.322 -8.773 1.00 31.41 N ATOM 1432 CE2 TRP A 87 -10.885 -3.284 -7.919 1.00 75.22 C ATOM 1433 CE3 TRP A 87 -8.757 -4.038 -7.062 1.00 72.42 C ATOM 1434 CZ2 TRP A 87 -11.574 -4.244 -7.182 1.00 21.21 C ATOM 1435 CZ3 TRP A 87 -9.440 -4.991 -6.330 1.00 75.33 C ATOM 1436 CH2 TRP A 87 -10.838 -5.089 -6.395 1.00 64.32 C ATOM 0 H TRP A 87 -7.720 0.879 -9.709 1.00 24.10 H new ATOM 0 HA TRP A 87 -7.821 -0.526 -7.145 1.00 1.45 H new ATOM 0 HB2 TRP A 87 -7.659 -1.277 -10.054 1.00 71.35 H new ATOM 0 HB3 TRP A 87 -7.028 -2.413 -8.879 1.00 71.35 H new ATOM 0 HD1 TRP A 87 -10.363 -0.787 -9.966 1.00 53.23 H new ATOM 0 HE1 TRP A 87 -12.333 -2.162 -9.005 1.00 31.41 H new ATOM 0 HE3 TRP A 87 -7.680 -3.971 -7.008 1.00 72.42 H new ATOM 0 HZ2 TRP A 87 -12.650 -4.319 -7.229 1.00 21.21 H new ATOM 0 HZ3 TRP A 87 -8.889 -5.671 -5.698 1.00 75.33 H new ATOM 0 HH2 TRP A 87 -11.343 -5.845 -5.813 1.00 64.32 H new ATOM 1447 N TYR A 88 -5.420 -0.690 -6.611 1.00 53.03 N ATOM 1448 CA TYR A 88 -4.011 -0.735 -6.206 1.00 13.11 C ATOM 1449 C TYR A 88 -3.462 -2.171 -6.202 1.00 54.32 C ATOM 1450 O TYR A 88 -4.202 -3.142 -6.049 1.00 24.24 O ATOM 1451 CB TYR A 88 -3.837 -0.109 -4.812 1.00 20.13 C ATOM 1452 CG TYR A 88 -4.039 1.397 -4.787 1.00 62.14 C ATOM 1453 CD1 TYR A 88 -5.305 1.954 -4.921 1.00 24.52 C ATOM 1454 CD2 TYR A 88 -2.959 2.260 -4.626 1.00 13.31 C ATOM 1455 CE1 TYR A 88 -5.490 3.324 -4.897 1.00 32.41 C ATOM 1456 CE2 TYR A 88 -3.137 3.630 -4.600 1.00 1.34 C ATOM 1457 CZ TYR A 88 -4.404 4.157 -4.736 1.00 31.12 C ATOM 1458 OH TYR A 88 -4.584 5.522 -4.715 1.00 61.50 O ATOM 0 H TYR A 88 -6.075 -0.854 -5.846 1.00 53.03 H new ATOM 0 HA TYR A 88 -3.444 -0.161 -6.938 1.00 13.11 H new ATOM 0 HB2 TYR A 88 -4.545 -0.573 -4.125 1.00 20.13 H new ATOM 0 HB3 TYR A 88 -2.837 -0.338 -4.443 1.00 20.13 H new ATOM 0 HD1 TYR A 88 -6.159 1.305 -5.046 1.00 24.52 H new ATOM 0 HD2 TYR A 88 -1.965 1.852 -4.520 1.00 13.31 H new ATOM 0 HE1 TYR A 88 -6.481 3.739 -5.004 1.00 32.41 H new ATOM 0 HE2 TYR A 88 -2.288 4.285 -4.474 1.00 1.34 H new ATOM 0 HH TYR A 88 -3.718 5.964 -4.593 1.00 61.50 H new ATOM 1468 N THR A 89 -2.156 -2.298 -6.401 1.00 75.23 N ATOM 1469 CA THR A 89 -1.482 -3.602 -6.354 1.00 70.20 C ATOM 1470 C THR A 89 -0.127 -3.486 -5.641 1.00 64.52 C ATOM 1471 O THR A 89 0.800 -2.852 -6.150 1.00 25.22 O ATOM 1472 CB THR A 89 -1.268 -4.186 -7.775 1.00 23.05 C ATOM 1473 OG1 THR A 89 -2.521 -4.241 -8.478 1.00 44.22 O ATOM 1474 CG2 THR A 89 -0.666 -5.589 -7.717 1.00 32.50 C ATOM 0 H THR A 89 -1.535 -1.513 -6.598 1.00 75.23 H new ATOM 0 HA THR A 89 -2.129 -4.279 -5.796 1.00 70.20 H new ATOM 0 HB THR A 89 -0.573 -3.531 -8.300 1.00 23.05 H new ATOM 0 HG1 THR A 89 -2.377 -4.609 -9.375 1.00 44.22 H new ATOM 0 HG21 THR A 89 -0.529 -5.968 -8.730 1.00 32.50 H new ATOM 0 HG22 THR A 89 0.298 -5.550 -7.211 1.00 32.50 H new ATOM 0 HG23 THR A 89 -1.337 -6.251 -7.169 1.00 32.50 H new ATOM 1482 N VAL A 90 -0.020 -4.098 -4.463 1.00 10.11 N ATOM 1483 CA VAL A 90 1.189 -3.986 -3.636 1.00 53.40 C ATOM 1484 C VAL A 90 2.102 -5.219 -3.772 1.00 72.22 C ATOM 1485 O VAL A 90 1.648 -6.360 -3.703 1.00 31.43 O ATOM 1486 CB VAL A 90 0.826 -3.774 -2.141 1.00 61.52 C ATOM 1487 CG1 VAL A 90 -0.128 -4.862 -1.651 1.00 14.42 C ATOM 1488 CG2 VAL A 90 2.090 -3.712 -1.275 1.00 1.43 C ATOM 0 H VAL A 90 -0.754 -4.678 -4.056 1.00 10.11 H new ATOM 0 HA VAL A 90 1.734 -3.116 -4.002 1.00 53.40 H new ATOM 0 HB VAL A 90 0.313 -2.817 -2.050 1.00 61.52 H new ATOM 0 HG11 VAL A 90 -0.367 -4.691 -0.601 1.00 14.42 H new ATOM 0 HG12 VAL A 90 -1.044 -4.835 -2.241 1.00 14.42 H new ATOM 0 HG13 VAL A 90 0.346 -5.838 -1.761 1.00 14.42 H new ATOM 0 HG21 VAL A 90 1.810 -3.563 -0.232 1.00 1.43 H new ATOM 0 HG22 VAL A 90 2.644 -4.646 -1.372 1.00 1.43 H new ATOM 0 HG23 VAL A 90 2.716 -2.883 -1.604 1.00 1.43 H new ATOM 1498 N SER A 91 3.394 -4.974 -3.969 1.00 24.54 N ATOM 1499 CA SER A 91 4.393 -6.045 -4.082 1.00 61.00 C ATOM 1500 C SER A 91 5.499 -5.883 -3.036 1.00 20.12 C ATOM 1501 O SER A 91 5.862 -4.766 -2.670 1.00 52.43 O ATOM 1502 CB SER A 91 5.020 -6.052 -5.483 1.00 34.22 C ATOM 1503 OG SER A 91 4.043 -6.280 -6.490 1.00 30.05 O ATOM 0 H SER A 91 3.782 -4.035 -4.055 1.00 24.54 H new ATOM 0 HA SER A 91 3.880 -6.991 -3.908 1.00 61.00 H new ATOM 0 HB2 SER A 91 5.516 -5.099 -5.665 1.00 34.22 H new ATOM 0 HB3 SER A 91 5.786 -6.826 -5.536 1.00 34.22 H new ATOM 0 HG SER A 91 4.474 -6.277 -7.370 1.00 30.05 H new ATOM 1509 N ALA A 92 6.030 -7.001 -2.562 1.00 5.51 N ATOM 1510 CA ALA A 92 7.139 -6.995 -1.608 1.00 12.02 C ATOM 1511 C ALA A 92 8.225 -7.989 -2.037 1.00 64.42 C ATOM 1512 O ALA A 92 7.991 -9.201 -2.068 1.00 20.42 O ATOM 1513 CB ALA A 92 6.632 -7.328 -0.209 1.00 43.42 C ATOM 0 H ALA A 92 5.710 -7.934 -2.823 1.00 5.51 H new ATOM 0 HA ALA A 92 7.577 -5.997 -1.591 1.00 12.02 H new ATOM 0 HB1 ALA A 92 7.467 -7.320 0.492 1.00 43.42 H new ATOM 0 HB2 ALA A 92 5.895 -6.586 0.097 1.00 43.42 H new ATOM 0 HB3 ALA A 92 6.172 -8.316 -0.214 1.00 43.42 H new ATOM 1519 N VAL A 93 9.409 -7.480 -2.375 1.00 61.22 N ATOM 1520 CA VAL A 93 10.507 -8.338 -2.837 1.00 31.22 C ATOM 1521 C VAL A 93 11.659 -8.407 -1.817 1.00 12.33 C ATOM 1522 O VAL A 93 12.301 -7.405 -1.486 1.00 24.42 O ATOM 1523 CB VAL A 93 11.047 -7.890 -4.222 1.00 22.31 C ATOM 1524 CG1 VAL A 93 11.597 -6.468 -4.172 1.00 12.55 C ATOM 1525 CG2 VAL A 93 12.104 -8.869 -4.733 1.00 61.44 C ATOM 0 H VAL A 93 9.635 -6.486 -2.339 1.00 61.22 H new ATOM 0 HA VAL A 93 10.087 -9.339 -2.940 1.00 31.22 H new ATOM 0 HB VAL A 93 10.212 -7.894 -4.922 1.00 22.31 H new ATOM 0 HG11 VAL A 93 11.967 -6.186 -5.158 1.00 12.55 H new ATOM 0 HG12 VAL A 93 10.805 -5.782 -3.872 1.00 12.55 H new ATOM 0 HG13 VAL A 93 12.413 -6.419 -3.451 1.00 12.55 H new ATOM 0 HG21 VAL A 93 12.469 -8.536 -5.705 1.00 61.44 H new ATOM 0 HG22 VAL A 93 12.934 -8.909 -4.028 1.00 61.44 H new ATOM 0 HG23 VAL A 93 11.664 -9.861 -4.831 1.00 61.44 H new ATOM 1535 N ASN A 94 11.885 -9.606 -1.303 1.00 71.33 N ATOM 1536 CA ASN A 94 12.980 -9.886 -0.371 1.00 64.20 C ATOM 1537 C ASN A 94 14.040 -10.779 -1.044 1.00 72.13 C ATOM 1538 O ASN A 94 13.765 -11.427 -2.056 1.00 50.11 O ATOM 1539 CB ASN A 94 12.398 -10.542 0.895 1.00 24.30 C ATOM 1540 CG ASN A 94 13.429 -11.240 1.758 1.00 24.33 C ATOM 1541 OD1 ASN A 94 13.659 -12.429 1.619 1.00 40.22 O ATOM 1542 ND2 ASN A 94 14.058 -10.515 2.651 1.00 51.24 N ATOM 0 H ASN A 94 11.313 -10.422 -1.519 1.00 71.33 H new ATOM 0 HA ASN A 94 13.478 -8.959 -0.085 1.00 64.20 H new ATOM 0 HB2 ASN A 94 11.898 -9.778 1.490 1.00 24.30 H new ATOM 0 HB3 ASN A 94 11.637 -11.265 0.600 1.00 24.30 H new ATOM 0 HD21 ASN A 94 14.761 -10.944 3.253 1.00 51.24 H new ATOM 0 HD22 ASN A 94 13.844 -9.522 2.744 1.00 51.24 H new ATOM 1549 N GLU A 95 15.252 -10.796 -0.496 1.00 11.12 N ATOM 1550 CA GLU A 95 16.344 -11.602 -1.061 1.00 42.12 C ATOM 1551 C GLU A 95 15.981 -13.100 -1.149 1.00 23.30 C ATOM 1552 O GLU A 95 16.322 -13.778 -2.119 1.00 15.30 O ATOM 1553 CB GLU A 95 17.616 -11.408 -0.222 1.00 65.00 C ATOM 1554 CG GLU A 95 17.425 -11.687 1.267 1.00 21.35 C ATOM 1555 CD GLU A 95 18.674 -11.399 2.081 1.00 33.44 C ATOM 1556 OE1 GLU A 95 18.921 -10.219 2.406 1.00 24.55 O ATOM 1557 OE2 GLU A 95 19.424 -12.344 2.384 1.00 65.53 O ATOM 0 H GLU A 95 15.508 -10.265 0.336 1.00 11.12 H new ATOM 0 HA GLU A 95 16.519 -11.257 -2.080 1.00 42.12 H new ATOM 0 HB2 GLU A 95 18.397 -12.064 -0.607 1.00 65.00 H new ATOM 0 HB3 GLU A 95 17.969 -10.384 -0.347 1.00 65.00 H new ATOM 0 HG2 GLU A 95 16.602 -11.079 1.644 1.00 21.35 H new ATOM 0 HG3 GLU A 95 17.140 -12.730 1.404 1.00 21.35 H new ATOM 1564 N ALA A 96 15.283 -13.602 -0.135 1.00 10.30 N ATOM 1565 CA ALA A 96 14.830 -14.999 -0.099 1.00 43.23 C ATOM 1566 C ALA A 96 13.670 -15.276 -1.082 1.00 5.12 C ATOM 1567 O ALA A 96 13.616 -16.340 -1.705 1.00 73.54 O ATOM 1568 CB ALA A 96 14.430 -15.374 1.324 1.00 64.45 C ATOM 0 H ALA A 96 15.013 -13.059 0.685 1.00 10.30 H new ATOM 0 HA ALA A 96 15.664 -15.622 -0.422 1.00 43.23 H new ATOM 0 HB1 ALA A 96 14.095 -16.411 1.346 1.00 64.45 H new ATOM 0 HB2 ALA A 96 15.288 -15.256 1.986 1.00 64.45 H new ATOM 0 HB3 ALA A 96 13.621 -14.724 1.658 1.00 64.45 H new ATOM 1574 N GLY A 97 12.737 -14.323 -1.215 1.00 2.22 N ATOM 1575 CA GLY A 97 11.576 -14.528 -2.090 1.00 40.13 C ATOM 1576 C GLY A 97 10.744 -13.266 -2.334 1.00 34.14 C ATOM 1577 O GLY A 97 11.102 -12.180 -1.884 1.00 3.42 O ATOM 0 H GLY A 97 12.761 -13.421 -0.739 1.00 2.22 H new ATOM 0 HA2 GLY A 97 11.922 -14.913 -3.049 1.00 40.13 H new ATOM 0 HA3 GLY A 97 10.935 -15.293 -1.652 1.00 40.13 H new ATOM 1581 N VAL A 98 9.615 -13.415 -3.035 1.00 22.00 N ATOM 1582 CA VAL A 98 8.752 -12.272 -3.389 1.00 20.10 C ATOM 1583 C VAL A 98 7.252 -12.617 -3.250 1.00 75.40 C ATOM 1584 O VAL A 98 6.848 -13.762 -3.450 1.00 10.11 O ATOM 1585 CB VAL A 98 9.041 -11.791 -4.839 1.00 11.51 C ATOM 1586 CG1 VAL A 98 8.791 -12.913 -5.848 1.00 52.35 C ATOM 1587 CG2 VAL A 98 8.214 -10.550 -5.187 1.00 52.04 C ATOM 0 H VAL A 98 9.273 -14.315 -3.371 1.00 22.00 H new ATOM 0 HA VAL A 98 8.984 -11.471 -2.688 1.00 20.10 H new ATOM 0 HB VAL A 98 10.094 -11.516 -4.893 1.00 11.51 H new ATOM 0 HG11 VAL A 98 9.000 -12.551 -6.854 1.00 52.35 H new ATOM 0 HG12 VAL A 98 9.443 -13.757 -5.623 1.00 52.35 H new ATOM 0 HG13 VAL A 98 7.751 -13.232 -5.787 1.00 52.35 H new ATOM 0 HG21 VAL A 98 8.438 -10.238 -6.207 1.00 52.04 H new ATOM 0 HG22 VAL A 98 7.153 -10.785 -5.104 1.00 52.04 H new ATOM 0 HG23 VAL A 98 8.462 -9.743 -4.498 1.00 52.04 H new ATOM 1597 N THR A 99 6.438 -11.624 -2.878 1.00 13.32 N ATOM 1598 CA THR A 99 4.975 -11.798 -2.756 1.00 32.03 C ATOM 1599 C THR A 99 4.212 -10.540 -3.208 1.00 13.54 C ATOM 1600 O THR A 99 4.688 -9.420 -3.024 1.00 74.15 O ATOM 1601 CB THR A 99 4.555 -12.149 -1.307 1.00 42.45 C ATOM 1602 OG1 THR A 99 3.129 -12.311 -1.225 1.00 1.24 O ATOM 1603 CG2 THR A 99 5.004 -11.067 -0.327 1.00 42.14 C ATOM 0 H THR A 99 6.764 -10.684 -2.654 1.00 13.32 H new ATOM 0 HA THR A 99 4.714 -12.629 -3.412 1.00 32.03 H new ATOM 0 HB THR A 99 5.042 -13.086 -1.037 1.00 42.45 H new ATOM 0 HG1 THR A 99 2.877 -12.534 -0.304 1.00 1.24 H new ATOM 0 HG21 THR A 99 4.696 -11.340 0.682 1.00 42.14 H new ATOM 0 HG22 THR A 99 6.089 -10.972 -0.362 1.00 42.14 H new ATOM 0 HG23 THR A 99 4.548 -10.116 -0.601 1.00 42.14 H new ATOM 1611 N THR A 100 3.046 -10.722 -3.832 1.00 35.42 N ATOM 1612 CA THR A 100 2.216 -9.588 -4.286 1.00 45.44 C ATOM 1613 C THR A 100 0.733 -9.771 -3.898 1.00 61.14 C ATOM 1614 O THR A 100 0.232 -10.892 -3.840 1.00 33.23 O ATOM 1615 CB THR A 100 2.329 -9.394 -5.822 1.00 75.21 C ATOM 1616 OG1 THR A 100 3.695 -9.117 -6.181 1.00 43.34 O ATOM 1617 CG2 THR A 100 1.438 -8.258 -6.315 1.00 44.13 C ATOM 0 H THR A 100 2.650 -11.639 -4.037 1.00 35.42 H new ATOM 0 HA THR A 100 2.596 -8.699 -3.783 1.00 45.44 H new ATOM 0 HB THR A 100 1.997 -10.318 -6.296 1.00 75.21 H new ATOM 0 HG1 THR A 100 3.812 -8.152 -6.304 1.00 43.34 H new ATOM 0 HG21 THR A 100 1.545 -8.154 -7.395 1.00 44.13 H new ATOM 0 HG22 THR A 100 0.399 -8.480 -6.073 1.00 44.13 H new ATOM 0 HG23 THR A 100 1.733 -7.328 -5.830 1.00 44.13 H new ATOM 1625 N CYS A 101 0.039 -8.662 -3.624 1.00 52.25 N ATOM 1626 CA CYS A 101 -1.393 -8.694 -3.270 1.00 10.00 C ATOM 1627 C CYS A 101 -2.147 -7.494 -3.871 1.00 0.23 C ATOM 1628 O CYS A 101 -1.535 -6.530 -4.339 1.00 23.22 O ATOM 1629 CB CYS A 101 -1.572 -8.710 -1.747 1.00 13.31 C ATOM 1630 SG CYS A 101 -3.297 -8.773 -1.207 1.00 42.24 S ATOM 0 H CYS A 101 0.443 -7.726 -3.639 1.00 52.25 H new ATOM 0 HA CYS A 101 -1.814 -9.608 -3.689 1.00 10.00 H new ATOM 0 HB2 CYS A 101 -1.043 -9.571 -1.339 1.00 13.31 H new ATOM 0 HB3 CYS A 101 -1.103 -7.820 -1.327 1.00 13.31 H new ATOM 0 HG CYS A 101 -3.415 -8.173 -0.060 1.00 42.24 H new ATOM 1636 N ASN A 102 -3.480 -7.554 -3.844 1.00 34.43 N ATOM 1637 CA ASN A 102 -4.327 -6.521 -4.468 1.00 0.35 C ATOM 1638 C ASN A 102 -5.031 -5.639 -3.418 1.00 3.34 C ATOM 1639 O ASN A 102 -5.305 -6.073 -2.299 1.00 40.44 O ATOM 1640 CB ASN A 102 -5.375 -7.172 -5.385 1.00 11.42 C ATOM 1641 CG ASN A 102 -4.755 -7.994 -6.506 1.00 41.03 C ATOM 1642 OD1 ASN A 102 -3.691 -8.582 -6.353 1.00 53.52 O ATOM 1643 ND2 ASN A 102 -5.411 -8.039 -7.644 1.00 22.11 N ATOM 0 H ASN A 102 -4.003 -8.307 -3.397 1.00 34.43 H new ATOM 0 HA ASN A 102 -3.672 -5.880 -5.058 1.00 0.35 H new ATOM 0 HB2 ASN A 102 -6.024 -7.813 -4.788 1.00 11.42 H new ATOM 0 HB3 ASN A 102 -6.005 -6.394 -5.817 1.00 11.42 H new ATOM 0 HD21 ASN A 102 -5.036 -8.573 -8.428 1.00 22.11 H new ATOM 0 HD22 ASN A 102 -6.295 -7.540 -7.743 1.00 22.11 H new ATOM 1650 N THR A 103 -5.310 -4.393 -3.797 1.00 63.54 N ATOM 1651 CA THR A 103 -5.991 -3.427 -2.916 1.00 20.41 C ATOM 1652 C THR A 103 -6.926 -2.509 -3.724 1.00 43.33 C ATOM 1653 O THR A 103 -6.664 -2.227 -4.887 1.00 65.21 O ATOM 1654 CB THR A 103 -4.964 -2.550 -2.149 1.00 43.40 C ATOM 1655 OG1 THR A 103 -4.015 -3.385 -1.466 1.00 55.44 O ATOM 1656 CG2 THR A 103 -5.652 -1.637 -1.136 1.00 34.34 C ATOM 0 H THR A 103 -5.075 -4.020 -4.717 1.00 63.54 H new ATOM 0 HA THR A 103 -6.578 -4.003 -2.200 1.00 20.41 H new ATOM 0 HB THR A 103 -4.451 -1.927 -2.882 1.00 43.40 H new ATOM 0 HG1 THR A 103 -3.451 -2.832 -0.886 1.00 55.44 H new ATOM 0 HG21 THR A 103 -4.903 -1.038 -0.618 1.00 34.34 H new ATOM 0 HG22 THR A 103 -6.348 -0.978 -1.654 1.00 34.34 H new ATOM 0 HG23 THR A 103 -6.197 -2.243 -0.412 1.00 34.34 H new ATOM 1664 N ARG A 104 -8.023 -2.053 -3.122 1.00 60.21 N ATOM 1665 CA ARG A 104 -8.932 -1.108 -3.798 1.00 44.11 C ATOM 1666 C ARG A 104 -9.147 0.178 -2.976 1.00 75.34 C ATOM 1667 O ARG A 104 -9.186 0.145 -1.746 1.00 65.34 O ATOM 1668 CB ARG A 104 -10.288 -1.774 -4.090 1.00 74.11 C ATOM 1669 CG ARG A 104 -11.315 -0.824 -4.705 1.00 32.35 C ATOM 1670 CD ARG A 104 -12.643 -1.513 -4.998 1.00 14.42 C ATOM 1671 NE ARG A 104 -13.660 -0.553 -5.415 1.00 71.10 N ATOM 1672 CZ ARG A 104 -14.658 -0.818 -6.211 1.00 64.04 C ATOM 1673 NH1 ARG A 104 -14.820 -2.003 -6.708 1.00 54.51 N ATOM 1674 NH2 ARG A 104 -15.497 0.116 -6.507 1.00 15.32 N ATOM 0 H ARG A 104 -8.308 -2.314 -2.178 1.00 60.21 H new ATOM 0 HA ARG A 104 -8.457 -0.828 -4.738 1.00 44.11 H new ATOM 0 HB2 ARG A 104 -10.133 -2.615 -4.766 1.00 74.11 H new ATOM 0 HB3 ARG A 104 -10.691 -2.181 -3.163 1.00 74.11 H new ATOM 0 HG2 ARG A 104 -11.485 0.012 -4.026 1.00 32.35 H new ATOM 0 HG3 ARG A 104 -10.913 -0.408 -5.629 1.00 32.35 H new ATOM 0 HD2 ARG A 104 -12.503 -2.259 -5.780 1.00 14.42 H new ATOM 0 HD3 ARG A 104 -12.984 -2.043 -4.109 1.00 14.42 H new ATOM 0 HE ARG A 104 -13.584 0.399 -5.056 1.00 71.10 H new ATOM 0 HH11 ARG A 104 -14.161 -2.747 -6.478 1.00 54.51 H new ATOM 0 HH12 ARG A 104 -15.607 -2.192 -7.329 1.00 54.51 H new ATOM 0 HH21 ARG A 104 -15.376 1.052 -6.119 1.00 15.32 H new ATOM 0 HH22 ARG A 104 -16.281 -0.081 -7.129 1.00 15.32 H new ATOM 1688 N LEU A 105 -9.265 1.313 -3.672 1.00 4.12 N ATOM 1689 CA LEU A 105 -9.622 2.590 -3.035 1.00 52.13 C ATOM 1690 C LEU A 105 -10.686 3.337 -3.858 1.00 71.53 C ATOM 1691 O LEU A 105 -10.569 3.449 -5.082 1.00 4.44 O ATOM 1692 CB LEU A 105 -8.380 3.478 -2.867 1.00 22.22 C ATOM 1693 CG LEU A 105 -8.641 4.866 -2.248 1.00 61.52 C ATOM 1694 CD1 LEU A 105 -9.217 4.737 -0.839 1.00 52.03 C ATOM 1695 CD2 LEU A 105 -7.362 5.703 -2.236 1.00 1.31 C ATOM 0 H LEU A 105 -9.119 1.376 -4.679 1.00 4.12 H new ATOM 0 HA LEU A 105 -10.034 2.366 -2.051 1.00 52.13 H new ATOM 0 HB2 LEU A 105 -7.658 2.950 -2.244 1.00 22.22 H new ATOM 0 HB3 LEU A 105 -7.917 3.615 -3.844 1.00 22.22 H new ATOM 0 HG LEU A 105 -9.378 5.378 -2.867 1.00 61.52 H new ATOM 0 HD11 LEU A 105 -9.392 5.730 -0.425 1.00 52.03 H new ATOM 0 HD12 LEU A 105 -10.159 4.190 -0.880 1.00 52.03 H new ATOM 0 HD13 LEU A 105 -8.512 4.199 -0.206 1.00 52.03 H new ATOM 0 HD21 LEU A 105 -7.569 6.678 -1.795 1.00 1.31 H new ATOM 0 HD22 LEU A 105 -6.599 5.193 -1.647 1.00 1.31 H new ATOM 0 HD23 LEU A 105 -7.004 5.835 -3.257 1.00 1.31 H new ATOM 1707 N ASP A 106 -11.715 3.855 -3.187 1.00 12.30 N ATOM 1708 CA ASP A 106 -12.776 4.612 -3.861 1.00 22.25 C ATOM 1709 C ASP A 106 -12.847 6.064 -3.360 1.00 63.21 C ATOM 1710 O ASP A 106 -12.634 6.342 -2.178 1.00 71.11 O ATOM 1711 CB ASP A 106 -14.128 3.925 -3.653 1.00 4.04 C ATOM 1712 CG ASP A 106 -14.172 2.536 -4.262 1.00 71.31 C ATOM 1713 OD1 ASP A 106 -14.286 2.426 -5.502 1.00 4.34 O ATOM 1714 OD2 ASP A 106 -14.098 1.547 -3.506 1.00 2.12 O ATOM 0 H ASP A 106 -11.838 3.766 -2.178 1.00 12.30 H new ATOM 0 HA ASP A 106 -12.538 4.636 -4.924 1.00 22.25 H new ATOM 0 HB2 ASP A 106 -14.337 3.857 -2.585 1.00 4.04 H new ATOM 0 HB3 ASP A 106 -14.915 4.537 -4.094 1.00 4.04 H new ATOM 1719 N VAL A 107 -13.152 6.986 -4.273 1.00 4.15 N ATOM 1720 CA VAL A 107 -13.326 8.402 -3.929 1.00 64.53 C ATOM 1721 C VAL A 107 -14.666 8.931 -4.467 1.00 12.11 C ATOM 1722 O VAL A 107 -15.111 8.545 -5.548 1.00 44.14 O ATOM 1723 CB VAL A 107 -12.162 9.278 -4.477 1.00 60.32 C ATOM 1724 CG1 VAL A 107 -12.368 10.754 -4.130 1.00 34.33 C ATOM 1725 CG2 VAL A 107 -10.818 8.787 -3.940 1.00 40.22 C ATOM 0 H VAL A 107 -13.285 6.778 -5.263 1.00 4.15 H new ATOM 0 HA VAL A 107 -13.320 8.469 -2.841 1.00 64.53 H new ATOM 0 HB VAL A 107 -12.158 9.184 -5.563 1.00 60.32 H new ATOM 0 HG11 VAL A 107 -11.539 11.340 -4.526 1.00 34.33 H new ATOM 0 HG12 VAL A 107 -13.302 11.104 -4.569 1.00 34.33 H new ATOM 0 HG13 VAL A 107 -12.410 10.871 -3.047 1.00 34.33 H new ATOM 0 HG21 VAL A 107 -10.018 9.413 -4.335 1.00 40.22 H new ATOM 0 HG22 VAL A 107 -10.819 8.843 -2.851 1.00 40.22 H new ATOM 0 HG23 VAL A 107 -10.658 7.754 -4.250 1.00 40.22 H new ATOM 1735 N THR A 108 -15.307 9.805 -3.703 1.00 25.41 N ATOM 1736 CA THR A 108 -16.594 10.396 -4.089 1.00 2.43 C ATOM 1737 C THR A 108 -16.452 11.914 -4.274 1.00 41.14 C ATOM 1738 O THR A 108 -15.722 12.574 -3.531 1.00 73.34 O ATOM 1739 CB THR A 108 -17.689 10.104 -3.027 1.00 63.10 C ATOM 1740 OG1 THR A 108 -17.856 8.688 -2.860 1.00 0.10 O ATOM 1741 CG2 THR A 108 -19.030 10.726 -3.412 1.00 41.13 C ATOM 0 H THR A 108 -14.957 10.127 -2.801 1.00 25.41 H new ATOM 0 HA THR A 108 -16.896 9.942 -5.033 1.00 2.43 H new ATOM 0 HB THR A 108 -17.358 10.551 -2.090 1.00 63.10 H new ATOM 0 HG1 THR A 108 -18.548 8.517 -2.187 1.00 0.10 H new ATOM 0 HG21 THR A 108 -19.770 10.500 -2.644 1.00 41.13 H new ATOM 0 HG22 THR A 108 -18.918 11.807 -3.500 1.00 41.13 H new ATOM 0 HG23 THR A 108 -19.360 10.316 -4.366 1.00 41.13 H new ATOM 1749 N ALA A 109 -17.157 12.464 -5.258 1.00 14.13 N ATOM 1750 CA ALA A 109 -17.047 13.887 -5.587 1.00 13.54 C ATOM 1751 C ALA A 109 -17.775 14.767 -4.563 1.00 51.31 C ATOM 1752 O ALA A 109 -18.925 14.508 -4.204 1.00 24.15 O ATOM 1753 CB ALA A 109 -17.585 14.148 -6.992 1.00 11.41 C ATOM 0 H ALA A 109 -17.813 11.947 -5.844 1.00 14.13 H new ATOM 0 HA ALA A 109 -15.990 14.153 -5.554 1.00 13.54 H new ATOM 0 HB1 ALA A 109 -17.497 15.209 -7.224 1.00 11.41 H new ATOM 0 HB2 ALA A 109 -17.010 13.570 -7.715 1.00 11.41 H new ATOM 0 HB3 ALA A 109 -18.633 13.851 -7.041 1.00 11.41 H new ATOM 1759 N ARG A 110 -17.095 15.811 -4.101 1.00 4.33 N ATOM 1760 CA ARG A 110 -17.652 16.705 -3.078 1.00 45.04 C ATOM 1761 C ARG A 110 -18.699 17.673 -3.651 1.00 31.22 C ATOM 1762 O ARG A 110 -18.485 18.291 -4.692 1.00 74.54 O ATOM 1763 CB ARG A 110 -16.546 17.519 -2.386 1.00 1.33 C ATOM 1764 CG ARG A 110 -15.833 16.773 -1.265 1.00 53.25 C ATOM 1765 CD ARG A 110 -15.039 17.730 -0.381 1.00 54.30 C ATOM 1766 NE ARG A 110 -14.487 17.065 0.798 1.00 32.24 N ATOM 1767 CZ ARG A 110 -14.513 17.570 2.000 1.00 31.22 C ATOM 1768 NH1 ARG A 110 -15.054 18.729 2.214 1.00 54.22 N ATOM 1769 NH2 ARG A 110 -14.006 16.910 2.989 1.00 21.13 N ATOM 0 H ARG A 110 -16.158 16.063 -4.415 1.00 4.33 H new ATOM 0 HA ARG A 110 -18.142 16.058 -2.350 1.00 45.04 H new ATOM 0 HB2 ARG A 110 -15.811 17.821 -3.132 1.00 1.33 H new ATOM 0 HB3 ARG A 110 -16.982 18.432 -1.980 1.00 1.33 H new ATOM 0 HG2 ARG A 110 -16.564 16.237 -0.660 1.00 53.25 H new ATOM 0 HG3 ARG A 110 -15.162 16.027 -1.691 1.00 53.25 H new ATOM 0 HD2 ARG A 110 -14.228 18.169 -0.961 1.00 54.30 H new ATOM 0 HD3 ARG A 110 -15.684 18.550 -0.065 1.00 54.30 H new ATOM 0 HE ARG A 110 -14.055 16.150 0.673 1.00 32.24 H new ATOM 0 HH11 ARG A 110 -15.463 19.252 1.439 1.00 54.22 H new ATOM 0 HH12 ARG A 110 -15.071 19.118 3.157 1.00 54.22 H new ATOM 0 HH21 ARG A 110 -13.586 15.994 2.829 1.00 21.13 H new ATOM 0 HH22 ARG A 110 -14.026 17.305 3.929 1.00 21.13 H new ATOM 1783 N PRO A 111 -19.846 17.826 -2.961 1.00 63.05 N ATOM 1784 CA PRO A 111 -20.853 18.832 -3.318 1.00 75.33 C ATOM 1785 C PRO A 111 -20.537 20.217 -2.721 1.00 25.14 C ATOM 1786 O PRO A 111 -21.201 21.207 -3.029 1.00 54.11 O ATOM 1787 CB PRO A 111 -22.130 18.253 -2.703 1.00 65.41 C ATOM 1788 CG PRO A 111 -21.659 17.535 -1.479 1.00 22.51 C ATOM 1789 CD PRO A 111 -20.273 17.013 -1.797 1.00 52.22 C ATOM 0 HA PRO A 111 -20.913 19.004 -4.393 1.00 75.33 H new ATOM 0 HB2 PRO A 111 -22.843 19.039 -2.453 1.00 65.41 H new ATOM 0 HB3 PRO A 111 -22.632 17.575 -3.393 1.00 65.41 H new ATOM 0 HG2 PRO A 111 -21.634 18.206 -0.620 1.00 22.51 H new ATOM 0 HG3 PRO A 111 -22.333 16.717 -1.225 1.00 22.51 H new ATOM 0 HD2 PRO A 111 -19.595 17.137 -0.952 1.00 52.22 H new ATOM 0 HD3 PRO A 111 -20.291 15.950 -2.037 1.00 52.22 H new ATOM 1797 N ASN A 112 -19.508 20.278 -1.867 1.00 3.15 N ATOM 1798 CA ASN A 112 -19.146 21.518 -1.166 1.00 22.34 C ATOM 1799 C ASN A 112 -17.655 21.545 -0.773 1.00 23.31 C ATOM 1800 O ASN A 112 -17.075 20.519 -0.403 1.00 31.15 O ATOM 1801 CB ASN A 112 -20.024 21.672 0.088 1.00 25.54 C ATOM 1802 CG ASN A 112 -19.719 22.928 0.892 1.00 34.31 C ATOM 1803 OD1 ASN A 112 -19.310 23.951 0.348 1.00 12.13 O ATOM 1804 ND2 ASN A 112 -19.923 22.864 2.194 1.00 73.24 N ATOM 0 H ASN A 112 -18.910 19.482 -1.644 1.00 3.15 H new ATOM 0 HA ASN A 112 -19.318 22.352 -1.847 1.00 22.34 H new ATOM 0 HB2 ASN A 112 -21.072 21.687 -0.211 1.00 25.54 H new ATOM 0 HB3 ASN A 112 -19.888 20.799 0.727 1.00 25.54 H new ATOM 0 HD21 ASN A 112 -19.741 23.679 2.779 1.00 73.24 H new ATOM 0 HD22 ASN A 112 -20.263 21.999 2.615 1.00 73.24 H new ATOM 1811 N GLN A 113 -17.049 22.728 -0.858 1.00 14.24 N ATOM 1812 CA GLN A 113 -15.662 22.952 -0.427 1.00 11.43 C ATOM 1813 C GLN A 113 -15.552 24.314 0.276 1.00 64.30 C ATOM 1814 O GLN A 113 -15.971 25.338 -0.268 1.00 3.21 O ATOM 1815 CB GLN A 113 -14.710 22.875 -1.634 1.00 12.50 C ATOM 1816 CG GLN A 113 -13.250 23.188 -1.308 1.00 33.31 C ATOM 1817 CD GLN A 113 -12.305 22.947 -2.480 1.00 14.10 C ATOM 1818 OE1 GLN A 113 -12.797 23.083 -3.699 1.00 41.34 O flip ATOM 1819 NE2 GLN A 113 -11.133 22.638 -2.292 1.00 12.50 N flip ATOM 0 H GLN A 113 -17.503 23.563 -1.228 1.00 14.24 H new ATOM 0 HA GLN A 113 -15.373 22.173 0.279 1.00 11.43 H new ATOM 0 HB2 GLN A 113 -14.767 21.875 -2.063 1.00 12.50 H new ATOM 0 HB3 GLN A 113 -15.056 23.570 -2.399 1.00 12.50 H new ATOM 0 HG2 GLN A 113 -13.170 24.229 -0.994 1.00 33.31 H new ATOM 0 HG3 GLN A 113 -12.934 22.575 -0.464 1.00 33.31 H new ATOM 0 HE21 GLN A 113 -10.778 22.539 -1.341 1.00 12.50 H new ATOM 0 HE22 GLN A 113 -10.514 22.480 -3.087 1.00 12.50 H new ATOM 1828 N THR A 114 -14.991 24.327 1.482 1.00 43.32 N ATOM 1829 CA THR A 114 -15.028 25.523 2.341 1.00 3.43 C ATOM 1830 C THR A 114 -13.893 26.515 2.049 1.00 23.54 C ATOM 1831 O THR A 114 -12.739 26.284 2.410 1.00 24.01 O ATOM 1832 CB THR A 114 -14.979 25.150 3.844 1.00 63.31 C ATOM 1833 OG1 THR A 114 -13.766 24.443 4.157 1.00 63.12 O ATOM 1834 CG2 THR A 114 -16.177 24.291 4.228 1.00 70.13 C ATOM 0 H THR A 114 -14.505 23.529 1.892 1.00 43.32 H new ATOM 0 HA THR A 114 -15.976 26.007 2.107 1.00 3.43 H new ATOM 0 HB THR A 114 -15.008 26.078 4.414 1.00 63.31 H new ATOM 0 HG1 THR A 114 -13.025 24.819 3.637 1.00 63.12 H new ATOM 0 HG21 THR A 114 -16.121 24.041 5.288 1.00 70.13 H new ATOM 0 HG22 THR A 114 -17.097 24.842 4.033 1.00 70.13 H new ATOM 0 HG23 THR A 114 -16.171 23.374 3.639 1.00 70.13 H new ATOM 1842 N LEU A 115 -14.236 27.623 1.397 1.00 62.02 N ATOM 1843 CA LEU A 115 -13.302 28.738 1.194 1.00 52.21 C ATOM 1844 C LEU A 115 -14.083 30.068 1.194 1.00 75.12 C ATOM 1845 O LEU A 115 -14.499 30.560 0.141 1.00 62.43 O ATOM 1846 CB LEU A 115 -12.509 28.549 -0.121 1.00 32.30 C ATOM 1847 CG LEU A 115 -11.197 29.360 -0.261 1.00 33.52 C ATOM 1848 CD1 LEU A 115 -11.466 30.853 -0.444 1.00 54.22 C ATOM 1849 CD2 LEU A 115 -10.291 29.127 0.947 1.00 63.53 C ATOM 0 H LEU A 115 -15.161 27.777 0.995 1.00 62.02 H new ATOM 0 HA LEU A 115 -12.580 28.760 2.010 1.00 52.21 H new ATOM 0 HB2 LEU A 115 -12.268 27.491 -0.225 1.00 32.30 H new ATOM 0 HB3 LEU A 115 -13.162 28.811 -0.954 1.00 32.30 H new ATOM 0 HG LEU A 115 -10.690 29.005 -1.158 1.00 33.52 H new ATOM 0 HD11 LEU A 115 -10.519 31.384 -0.538 1.00 54.22 H new ATOM 0 HD12 LEU A 115 -12.060 31.008 -1.345 1.00 54.22 H new ATOM 0 HD13 LEU A 115 -12.011 31.233 0.420 1.00 54.22 H new ATOM 0 HD21 LEU A 115 -9.374 29.705 0.831 1.00 63.53 H new ATOM 0 HD22 LEU A 115 -10.806 29.442 1.854 1.00 63.53 H new ATOM 0 HD23 LEU A 115 -10.045 28.067 1.019 1.00 63.53 H new ATOM 1861 N PRO A 116 -14.339 30.637 2.393 1.00 34.25 N ATOM 1862 CA PRO A 116 -15.091 31.890 2.553 1.00 61.43 C ATOM 1863 C PRO A 116 -14.207 33.150 2.424 1.00 31.22 C ATOM 1864 O PRO A 116 -13.562 33.548 3.424 1.00 37.94 O ATOM 1865 CB PRO A 116 -15.685 31.765 3.979 1.00 43.33 C ATOM 1866 CG PRO A 116 -15.099 30.512 4.576 1.00 33.21 C ATOM 1867 CD PRO A 116 -13.942 30.108 3.699 1.00 24.34 C ATOM 1868 OXT PRO A 116 -14.168 33.750 1.325 1.00 37.94 O ATOM 0 HA PRO A 116 -15.842 32.016 1.773 1.00 61.43 H new ATOM 0 HB2 PRO A 116 -15.433 32.637 4.582 1.00 43.33 H new ATOM 0 HB3 PRO A 116 -16.773 31.706 3.943 1.00 43.33 H new ATOM 0 HG2 PRO A 116 -14.765 30.691 5.598 1.00 33.21 H new ATOM 0 HG3 PRO A 116 -15.846 29.719 4.619 1.00 33.21 H new ATOM 0 HD2 PRO A 116 -13.002 30.539 4.043 1.00 24.34 H new ATOM 0 HD3 PRO A 116 -13.808 29.027 3.676 1.00 24.34 H new TER 1876 PRO A 116