USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 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 NoAdj-H: A 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 6 ASN :FLIP amide:sc= -0.333 F(o=-2.2!,f=0.62) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0.956 USER MOD Set 2.1: A 51 ASN : amide:sc= -0.213 K(o=-2.3,f=-3.1) USER MOD Set 2.2: A 52 HIS :FLIP no HD1:sc= -2.06 F(o=-3.1,f=-2.3) USER MOD Set 3.1: A 33 SER OG : rot -86:sc= 1.06 USER MOD Set 3.2: A 34 GLN :FLIP amide:sc= 0.815 F(o=0.33,f=1.9) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN :FLIP amide:sc=-0.00511 F(o=-1.2!,f=-0.0051) USER MOD Single : A 7 SER OG : rot 81:sc= 1.26 USER MOD Single : A 8 LYS NZ :NH3+ -131:sc= -4.61! (180deg=-9.83!) USER MOD Single : A 10 GLN : amide:sc= -0.235 K(o=-0.23,f=-3.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 160:sc= -1.6 USER MOD Single : A 29 GLN :FLIP amide:sc= 0.322 F(o=-1.4,f=0.32) USER MOD Single : A 38 LYS NZ :NH3+ -106:sc= 0.164 (180deg=-0.465) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0732 USER MOD Single : A 50 THR OG1 : rot -36:sc= 0.422 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 54 ASN : amide:sc= -0.574 K(o=-0.57,f=-2.8!) USER MOD Single : A 57 GLN : amide:sc= -0.0189 X(o=-0.019,f=-0.043) USER MOD Single : A 61 GLN : amide:sc= -3.67! C(o=-3.7!,f=-8.1!) USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 64 THR OG1 : rot -120:sc= -1.23! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -100:sc= -0.176 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 90:sc= 0.184 USER MOD Single : A 89 GLN : amide:sc= -3.17! C(o=-3.2!,f=-4.6!) USER MOD Single : A 90 GLN :FLIP amide:sc= -0.491 F(o=-1.2,f=-0.49) USER MOD Single : A 91 SER OG : rot 123:sc= 0.891 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.977 K(o=-0.98,f=-2!) USER MOD Single : A 105 GLN : amide:sc= 0.167 K(o=0.17,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.293 45.901 5.282 1.00 18.33 N ATOM 2 CA ALA A 1 17.111 44.676 5.052 1.00 16.52 C ATOM 3 C ALA A 1 16.444 43.811 3.981 1.00 15.03 C ATOM 4 O ALA A 1 15.772 42.846 4.284 1.00 16.00 O ATOM 5 CB ALA A 1 17.216 43.880 6.355 1.00 17.21 C ATOM 0 H1 ALA A 1 16.746 46.489 6.010 1.00 18.33 H new ATOM 0 H2 ALA A 1 16.220 46.441 4.396 1.00 18.33 H new ATOM 0 H3 ALA A 1 15.341 45.628 5.600 1.00 18.33 H new ATOM 0 HA ALA A 1 18.108 44.963 4.719 1.00 16.52 H new ATOM 0 HB1 ALA A 1 17.814 42.984 6.187 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.690 44.495 7.120 1.00 17.21 H new ATOM 0 HB3 ALA A 1 16.218 43.593 6.687 1.00 17.21 H new ATOM 13 N GLN A 2 16.626 44.148 2.732 1.00 14.70 N ATOM 14 CA GLN A 2 16.005 43.347 1.636 1.00 14.58 C ATOM 15 C GLN A 2 17.105 42.629 0.851 1.00 12.38 C ATOM 16 O GLN A 2 17.303 41.438 0.987 1.00 12.11 O ATOM 17 CB GLN A 2 15.240 44.282 0.694 1.00 17.38 C ATOM 18 CG GLN A 2 14.222 45.100 1.491 1.00 22.60 C ATOM 19 CD GLN A 2 13.729 46.272 0.640 1.00 24.11 C ATOM 20 OE1 GLN A 2 14.077 46.341 -0.616 1.00 29.77 O flip ATOM 21 NE2 GLN A 2 13.021 47.134 1.122 1.00 23.75 N flip ATOM 0 H GLN A 2 17.180 44.946 2.422 1.00 14.70 H new ATOM 0 HA GLN A 2 15.319 42.615 2.061 1.00 14.58 H new ATOM 0 HB2 GLN A 2 15.936 44.948 0.183 1.00 17.38 H new ATOM 0 HB3 GLN A 2 14.731 43.701 -0.076 1.00 17.38 H new ATOM 0 HG2 GLN A 2 13.382 44.470 1.782 1.00 22.60 H new ATOM 0 HG3 GLN A 2 14.677 45.470 2.410 1.00 22.60 H new ATOM 0 HE21 GLN A 2 12.749 47.080 2.104 1.00 23.75 H new ATOM 0 HE22 GLN A 2 12.699 47.911 0.545 1.00 23.75 H new ATOM 30 N GLU A 3 17.822 43.345 0.031 1.00 0.00 N ATOM 31 CA GLU A 3 18.910 42.708 -0.763 1.00 0.00 C ATOM 32 C GLU A 3 19.935 42.079 0.184 1.00 0.00 C ATOM 33 O GLU A 3 20.815 41.353 -0.232 1.00 0.00 O ATOM 34 CB GLU A 3 19.595 43.769 -1.627 1.00 0.00 C ATOM 35 CG GLU A 3 20.250 44.818 -0.725 1.00 0.00 C ATOM 36 CD GLU A 3 20.688 46.018 -1.569 1.00 0.00 C ATOM 37 OE1 GLU A 3 19.849 46.858 -1.848 1.00 0.00 O ATOM 38 OE2 GLU A 3 21.854 46.075 -1.920 1.00 0.00 O ATOM 0 H GLU A 3 17.702 44.346 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 3 18.488 41.933 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.346 43.304 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.867 44.243 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.549 45.139 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 3 21.110 44.387 -0.214 1.00 0.00 H new ATOM 45 N PHE A 4 19.831 42.357 1.453 1.00 11.75 N ATOM 46 CA PHE A 4 20.799 41.784 2.427 1.00 10.29 C ATOM 47 C PHE A 4 20.720 40.257 2.412 1.00 10.97 C ATOM 48 O PHE A 4 21.624 39.582 1.965 1.00 7.53 O ATOM 49 CB PHE A 4 20.450 42.291 3.835 1.00 11.72 C ATOM 50 CG PHE A 4 21.392 43.401 4.248 1.00 16.98 C ATOM 51 CD1 PHE A 4 21.623 44.483 3.392 1.00 17.80 C ATOM 52 CD2 PHE A 4 22.028 43.344 5.493 1.00 12.51 C ATOM 53 CE1 PHE A 4 22.493 45.508 3.782 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.898 44.368 5.883 1.00 19.72 C ATOM 55 CZ PHE A 4 23.130 45.451 5.027 1.00 20.03 C ATOM 0 H PHE A 4 19.114 42.959 1.859 1.00 11.75 H new ATOM 0 HA PHE A 4 21.808 42.092 2.153 1.00 10.29 H new ATOM 0 HB2 PHE A 4 19.422 42.653 3.853 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.511 41.470 4.549 1.00 11.72 H new ATOM 0 HD1 PHE A 4 21.131 44.528 2.432 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.847 42.509 6.153 1.00 12.51 H new ATOM 0 HE1 PHE A 4 22.673 46.343 3.122 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.390 44.323 6.843 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.801 46.243 5.327 1.00 20.03 H new ATOM 65 N VAL A 5 19.656 39.712 2.926 1.00 10.96 N ATOM 66 CA VAL A 5 19.523 38.231 2.976 1.00 12.03 C ATOM 67 C VAL A 5 19.244 37.671 1.580 1.00 12.91 C ATOM 68 O VAL A 5 19.766 36.642 1.201 1.00 10.57 O ATOM 69 CB VAL A 5 18.368 37.870 3.915 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.435 38.748 5.169 1.00 5.33 C ATOM 71 CG2 VAL A 5 17.029 38.104 3.205 1.00 9.23 C ATOM 0 H VAL A 5 18.869 40.230 3.316 1.00 10.96 H new ATOM 0 HA VAL A 5 20.454 37.798 3.342 1.00 12.03 H new ATOM 0 HB VAL A 5 18.450 36.820 4.196 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.613 38.491 5.837 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.383 38.581 5.680 1.00 5.33 H new ATOM 0 HG13 VAL A 5 18.356 39.797 4.883 1.00 5.33 H new ATOM 0 HG21 VAL A 5 16.211 37.846 3.877 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.947 39.153 2.920 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.976 37.480 2.313 1.00 9.23 H new ATOM 81 N ASN A 6 18.417 38.327 0.819 1.00 13.95 N ATOM 82 CA ASN A 6 18.093 37.822 -0.541 1.00 13.93 C ATOM 83 C ASN A 6 19.372 37.639 -1.360 1.00 14.98 C ATOM 84 O ASN A 6 19.469 36.748 -2.180 1.00 13.88 O ATOM 85 CB ASN A 6 17.175 38.824 -1.239 1.00 19.23 C ATOM 86 CG ASN A 6 15.974 39.124 -0.341 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.675 38.297 0.624 1.00 28.33 O flip ATOM 88 ND2 ASN A 6 15.302 40.120 -0.517 1.00 26.59 N flip ATOM 0 H ASN A 6 17.950 39.195 1.081 1.00 13.95 H new ATOM 0 HA ASN A 6 17.594 36.857 -0.456 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.720 39.743 -1.456 1.00 19.23 H new ATOM 0 HB3 ASN A 6 16.837 38.421 -2.194 1.00 19.23 H new ATOM 0 HD21 ASN A 6 15.536 40.766 -1.271 1.00 26.59 H new ATOM 0 HD22 ASN A 6 14.504 40.310 0.089 1.00 26.59 H new ATOM 95 N SER A 7 20.353 38.476 -1.160 1.00 0.00 N ATOM 96 CA SER A 7 21.611 38.336 -1.948 1.00 0.00 C ATOM 97 C SER A 7 22.428 37.147 -1.439 1.00 0.00 C ATOM 98 O SER A 7 23.318 36.670 -2.112 1.00 0.00 O ATOM 99 CB SER A 7 22.443 39.611 -1.810 1.00 0.00 C ATOM 100 OG SER A 7 21.791 40.676 -2.489 1.00 0.00 O ATOM 0 H SER A 7 20.339 39.245 -0.490 1.00 0.00 H new ATOM 0 HA SER A 7 21.353 38.170 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.573 39.862 -0.757 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.439 39.456 -2.226 1.00 0.00 H new ATOM 0 HG SER A 7 21.079 41.038 -1.922 1.00 0.00 H new ATOM 106 N LYS A 8 22.161 36.680 -0.250 1.00 13.50 N ATOM 107 CA LYS A 8 22.957 35.545 0.296 1.00 11.83 C ATOM 108 C LYS A 8 22.232 34.208 0.103 1.00 12.94 C ATOM 109 O LYS A 8 22.839 33.220 -0.260 1.00 11.22 O ATOM 110 CB LYS A 8 23.196 35.808 1.777 1.00 13.35 C ATOM 111 CG LYS A 8 24.183 36.973 1.914 1.00 9.72 C ATOM 112 CD LYS A 8 23.919 37.728 3.216 1.00 17.72 C ATOM 113 CE LYS A 8 23.976 36.748 4.385 1.00 15.70 C ATOM 114 NZ LYS A 8 22.647 36.097 4.557 1.00 22.87 N ATOM 0 H LYS A 8 21.428 37.034 0.365 1.00 13.50 H new ATOM 0 HA LYS A 8 23.904 35.476 -0.239 1.00 11.83 H new ATOM 0 HB2 LYS A 8 22.257 36.048 2.275 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.594 34.916 2.260 1.00 13.35 H new ATOM 0 HG2 LYS A 8 25.206 36.597 1.902 1.00 9.72 H new ATOM 0 HG3 LYS A 8 24.082 37.649 1.065 1.00 9.72 H new ATOM 0 HD2 LYS A 8 24.660 38.516 3.350 1.00 17.72 H new ATOM 0 HD3 LYS A 8 22.943 38.211 3.178 1.00 17.72 H new ATOM 0 HE2 LYS A 8 24.741 35.993 4.203 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.256 37.272 5.299 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 22.363 36.147 5.556 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 21.942 36.588 3.971 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 22.708 35.101 4.264 1.00 22.87 H new ATOM 128 N ILE A 9 20.950 34.154 0.337 1.00 11.05 N ATOM 129 CA ILE A 9 20.228 32.857 0.157 1.00 13.61 C ATOM 130 C ILE A 9 19.969 32.614 -1.328 1.00 12.23 C ATOM 131 O ILE A 9 19.402 33.437 -2.018 1.00 12.72 O ATOM 132 CB ILE A 9 18.886 32.867 0.891 1.00 14.29 C ATOM 133 CG1 ILE A 9 18.083 34.091 0.451 1.00 20.74 C ATOM 134 CG2 ILE A 9 19.126 32.889 2.403 1.00 15.26 C ATOM 135 CD1 ILE A 9 17.136 34.535 1.572 1.00 25.19 C ATOM 0 H ILE A 9 20.375 34.939 0.641 1.00 11.05 H new ATOM 0 HA ILE A 9 20.853 32.065 0.570 1.00 13.61 H new ATOM 0 HB ILE A 9 18.320 31.968 0.647 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.760 34.905 0.193 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.511 33.856 -0.446 1.00 20.74 H new ATOM 0 HG21 ILE A 9 18.168 32.896 2.923 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.691 32.004 2.695 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.690 33.783 2.669 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.570 35.408 1.246 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.448 33.724 1.809 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.716 34.790 2.459 1.00 25.19 H new ATOM 147 N GLN A 10 20.370 31.475 -1.808 1.00 11.13 N ATOM 148 CA GLN A 10 20.149 31.128 -3.233 1.00 10.86 C ATOM 149 C GLN A 10 20.018 29.597 -3.334 1.00 10.00 C ATOM 150 O GLN A 10 20.454 28.895 -2.445 1.00 10.42 O ATOM 151 CB GLN A 10 21.326 31.663 -4.072 1.00 14.27 C ATOM 152 CG GLN A 10 22.264 30.533 -4.496 1.00 22.05 C ATOM 153 CD GLN A 10 23.542 31.137 -5.078 1.00 30.84 C ATOM 154 OE1 GLN A 10 24.481 31.415 -4.359 1.00 32.99 O ATOM 155 NE2 GLN A 10 23.616 31.358 -6.362 1.00 34.61 N ATOM 0 H GLN A 10 20.850 30.758 -1.263 1.00 11.13 H new ATOM 0 HA GLN A 10 19.237 31.583 -3.620 1.00 10.86 H new ATOM 0 HB2 GLN A 10 20.943 32.172 -4.957 1.00 14.27 H new ATOM 0 HB3 GLN A 10 21.881 32.402 -3.494 1.00 14.27 H new ATOM 0 HG2 GLN A 10 22.502 29.901 -3.641 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.777 29.898 -5.236 1.00 22.05 H new ATOM 0 HE21 GLN A 10 22.828 31.125 -6.966 1.00 34.61 H new ATOM 0 HE22 GLN A 10 24.462 31.764 -6.762 1.00 34.61 H new ATOM 164 N PRO A 11 19.414 29.121 -4.396 1.00 6.53 N ATOM 165 CA PRO A 11 19.210 27.675 -4.590 1.00 7.75 C ATOM 166 C PRO A 11 20.524 26.900 -4.457 1.00 6.33 C ATOM 167 O PRO A 11 21.550 27.286 -4.983 1.00 9.49 O ATOM 168 CB PRO A 11 18.634 27.545 -6.010 1.00 8.32 C ATOM 169 CG PRO A 11 18.392 28.979 -6.547 1.00 7.94 C ATOM 170 CD PRO A 11 18.897 29.968 -5.486 1.00 11.72 C ATOM 0 HA PRO A 11 18.544 27.256 -3.835 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.326 27.005 -6.657 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.703 26.979 -5.996 1.00 8.32 H new ATOM 0 HG2 PRO A 11 18.919 29.128 -7.490 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.332 29.139 -6.745 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.677 30.615 -5.888 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.094 30.616 -5.136 1.00 11.72 H new ATOM 178 N GLY A 12 20.484 25.794 -3.770 1.00 5.64 N ATOM 179 CA GLY A 12 21.706 24.962 -3.605 1.00 8.39 C ATOM 180 C GLY A 12 22.729 25.673 -2.715 1.00 7.67 C ATOM 181 O GLY A 12 23.918 25.456 -2.836 1.00 10.24 O ATOM 0 H GLY A 12 19.649 25.428 -3.312 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.441 24.000 -3.166 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.146 24.756 -4.581 1.00 8.39 H new ATOM 185 N LYS A 13 22.285 26.511 -1.818 1.00 9.66 N ATOM 186 CA LYS A 13 23.247 27.217 -0.922 1.00 10.29 C ATOM 187 C LYS A 13 22.666 27.298 0.489 1.00 10.20 C ATOM 188 O LYS A 13 21.530 27.686 0.684 1.00 6.89 O ATOM 189 CB LYS A 13 23.512 28.626 -1.454 1.00 9.77 C ATOM 190 CG LYS A 13 24.561 29.309 -0.577 1.00 10.63 C ATOM 191 CD LYS A 13 24.965 30.643 -1.206 1.00 12.04 C ATOM 192 CE LYS A 13 26.163 31.221 -0.451 1.00 19.12 C ATOM 193 NZ LYS A 13 26.682 32.413 -1.179 1.00 25.36 N ATOM 0 H LYS A 13 21.302 26.737 -1.667 1.00 9.66 H new ATOM 0 HA LYS A 13 24.186 26.664 -0.894 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.860 28.578 -2.486 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.589 29.206 -1.455 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.162 29.473 0.424 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.435 28.666 -0.470 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.218 30.500 -2.256 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.129 31.341 -1.172 1.00 12.04 H new ATOM 0 HE2 LYS A 13 25.869 31.500 0.561 1.00 19.12 H new ATOM 0 HE3 LYS A 13 26.946 30.468 -0.359 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 27.497 32.806 -0.665 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 26.978 32.134 -2.136 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 25.934 33.133 -1.244 1.00 25.36 H new ATOM 207 N VAL A 14 23.437 26.925 1.474 1.00 10.89 N ATOM 208 CA VAL A 14 22.942 26.965 2.876 1.00 9.99 C ATOM 209 C VAL A 14 23.496 28.200 3.588 1.00 5.01 C ATOM 210 O VAL A 14 24.672 28.499 3.518 1.00 6.68 O ATOM 211 CB VAL A 14 23.403 25.705 3.610 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.822 25.693 5.025 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.913 24.470 2.851 1.00 5.86 C ATOM 0 H VAL A 14 24.395 26.592 1.365 1.00 10.89 H new ATOM 0 HA VAL A 14 21.853 27.012 2.873 1.00 9.99 H new ATOM 0 HB VAL A 14 24.492 25.695 3.665 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.152 24.794 5.546 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.166 26.574 5.567 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.733 25.702 4.971 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.240 23.570 3.371 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.824 24.484 2.798 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.325 24.476 1.842 1.00 5.86 H new ATOM 223 N VAL A 15 22.653 28.910 4.287 1.00 3.11 N ATOM 224 CA VAL A 15 23.109 30.120 5.028 1.00 10.10 C ATOM 225 C VAL A 15 22.371 30.169 6.367 1.00 9.35 C ATOM 226 O VAL A 15 21.192 29.886 6.446 1.00 11.00 O ATOM 227 CB VAL A 15 22.825 31.384 4.192 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.646 32.172 4.778 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.070 32.280 4.192 1.00 10.96 C ATOM 0 H VAL A 15 21.659 28.701 4.377 1.00 3.11 H new ATOM 0 HA VAL A 15 24.183 30.076 5.209 1.00 10.10 H new ATOM 0 HB VAL A 15 22.575 31.078 3.176 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.464 33.059 4.172 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.754 31.545 4.780 1.00 15.82 H new ATOM 0 HG13 VAL A 15 21.881 32.472 5.799 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.874 33.175 3.602 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.313 32.566 5.216 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.909 31.736 3.759 1.00 10.96 H new ATOM 239 N VAL A 16 23.066 30.491 7.425 1.00 8.87 N ATOM 240 CA VAL A 16 22.421 30.517 8.766 1.00 5.41 C ATOM 241 C VAL A 16 22.513 31.908 9.403 1.00 6.62 C ATOM 242 O VAL A 16 23.577 32.485 9.517 1.00 8.94 O ATOM 243 CB VAL A 16 23.139 29.509 9.662 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.442 29.435 11.021 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.108 28.132 8.997 1.00 5.31 C ATOM 0 H VAL A 16 24.056 30.738 7.416 1.00 8.87 H new ATOM 0 HA VAL A 16 21.366 30.265 8.655 1.00 5.41 H new ATOM 0 HB VAL A 16 24.172 29.825 9.807 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.958 28.715 11.656 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.463 30.417 11.495 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.407 29.121 10.883 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.619 27.409 9.633 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.073 27.821 8.853 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.609 28.183 8.030 1.00 5.31 H new ATOM 255 N PHE A 17 21.399 32.433 9.849 1.00 5.51 N ATOM 256 CA PHE A 17 21.401 33.765 10.518 1.00 5.80 C ATOM 257 C PHE A 17 21.477 33.539 12.029 1.00 7.23 C ATOM 258 O PHE A 17 20.622 32.902 12.610 1.00 5.39 O ATOM 259 CB PHE A 17 20.116 34.507 10.156 1.00 5.73 C ATOM 260 CG PHE A 17 20.162 34.872 8.695 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.806 33.926 7.727 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.575 36.150 8.307 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.862 34.260 6.369 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.633 36.484 6.950 1.00 5.88 C ATOM 265 CZ PHE A 17 20.276 35.539 5.980 1.00 5.73 C ATOM 0 H PHE A 17 20.483 31.991 9.776 1.00 5.51 H new ATOM 0 HA PHE A 17 22.253 34.362 10.193 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.248 33.881 10.362 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.013 35.404 10.766 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.488 32.939 8.028 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.849 36.879 9.055 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.586 33.531 5.622 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.953 37.471 6.650 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.320 35.797 4.932 1.00 5.73 H new ATOM 275 N ILE A 18 22.513 34.023 12.666 1.00 8.64 N ATOM 276 CA ILE A 18 22.663 33.796 14.136 1.00 6.83 C ATOM 277 C ILE A 18 22.957 35.099 14.874 1.00 10.62 C ATOM 278 O ILE A 18 23.007 36.174 14.307 1.00 6.74 O ATOM 279 CB ILE A 18 23.837 32.834 14.369 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.082 33.367 13.650 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.492 31.436 13.833 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.317 32.626 14.162 1.00 8.36 C ATOM 0 H ILE A 18 23.261 34.565 12.233 1.00 8.64 H new ATOM 0 HA ILE A 18 21.729 33.382 14.515 1.00 6.83 H new ATOM 0 HB ILE A 18 24.032 32.763 15.439 1.00 6.39 H new ATOM 0 HG12 ILE A 18 24.981 33.229 12.573 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.187 34.438 13.826 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.332 30.763 14.004 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.611 31.055 14.350 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.287 31.496 12.764 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.204 33.002 13.653 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.419 32.787 15.235 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.210 31.560 13.963 1.00 8.36 H new ATOM 294 N LYS A 19 23.177 34.972 16.147 1.00 12.12 N ATOM 295 CA LYS A 19 23.504 36.131 17.013 1.00 15.62 C ATOM 296 C LYS A 19 24.491 35.605 18.056 1.00 16.36 C ATOM 297 O LYS A 19 24.074 35.059 19.055 1.00 13.35 O ATOM 298 CB LYS A 19 22.237 36.626 17.731 1.00 18.25 C ATOM 299 CG LYS A 19 21.433 37.571 16.820 1.00 25.24 C ATOM 300 CD LYS A 19 20.758 38.661 17.662 1.00 30.64 C ATOM 301 CE LYS A 19 19.707 38.031 18.577 1.00 31.75 C ATOM 302 NZ LYS A 19 19.229 39.049 19.553 1.00 38.73 N ATOM 0 H LYS A 19 23.142 34.080 16.640 1.00 12.12 H new ATOM 0 HA LYS A 19 23.914 36.957 16.432 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.619 35.775 18.018 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.512 37.144 18.650 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.093 38.026 16.082 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.680 37.006 16.270 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.504 39.187 18.258 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.291 39.400 17.011 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.871 37.657 17.986 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.132 37.177 19.104 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.514 38.623 20.177 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 20.030 39.385 20.124 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.808 39.850 19.041 1.00 38.73 H new ATOM 316 N PRO A 20 25.766 35.733 17.786 1.00 17.46 N ATOM 317 CA PRO A 20 26.796 35.215 18.696 1.00 20.12 C ATOM 318 C PRO A 20 26.509 35.649 20.137 1.00 24.12 C ATOM 319 O PRO A 20 27.058 36.611 20.637 1.00 24.58 O ATOM 320 CB PRO A 20 28.113 35.788 18.156 1.00 20.63 C ATOM 321 CG PRO A 20 27.816 36.363 16.747 1.00 18.08 C ATOM 322 CD PRO A 20 26.288 36.408 16.580 1.00 17.14 C ATOM 0 HA PRO A 20 26.829 34.126 18.729 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.494 36.566 18.817 1.00 20.63 H new ATOM 0 HB3 PRO A 20 28.877 35.013 18.102 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.243 37.360 16.642 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.268 35.740 15.975 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.926 37.434 16.511 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.973 35.897 15.671 1.00 17.14 H new ATOM 330 N THR A 21 25.648 34.928 20.805 1.00 24.78 N ATOM 331 CA THR A 21 25.311 35.267 22.213 1.00 27.36 C ATOM 332 C THR A 21 24.327 34.228 22.755 1.00 24.99 C ATOM 333 O THR A 21 24.383 33.848 23.910 1.00 26.49 O ATOM 334 CB THR A 21 24.681 36.663 22.278 1.00 28.64 C ATOM 335 OG1 THR A 21 23.946 36.792 23.487 1.00 30.99 O ATOM 336 CG2 THR A 21 23.745 36.866 21.086 1.00 34.82 C ATOM 0 H THR A 21 25.162 34.113 20.430 1.00 24.78 H new ATOM 0 HA THR A 21 26.219 35.263 22.817 1.00 27.36 H new ATOM 0 HB THR A 21 25.468 37.416 22.246 1.00 28.64 H new ATOM 0 HG1 THR A 21 23.544 37.684 23.532 1.00 30.99 H new ATOM 0 HG21 THR A 21 23.300 37.860 21.138 1.00 34.82 H new ATOM 0 HG22 THR A 21 24.310 36.769 20.159 1.00 34.82 H new ATOM 0 HG23 THR A 21 22.956 36.114 21.110 1.00 34.82 H new ATOM 344 N CYS A 22 23.428 33.761 21.927 1.00 21.46 N ATOM 345 CA CYS A 22 22.442 32.742 22.389 1.00 17.23 C ATOM 346 C CYS A 22 22.932 31.334 21.966 1.00 14.71 C ATOM 347 O CYS A 22 23.229 31.122 20.806 1.00 13.71 O ATOM 348 CB CYS A 22 21.081 33.055 21.758 1.00 15.71 C ATOM 349 SG CYS A 22 19.770 32.813 22.985 1.00 9.78 S ATOM 0 H CYS A 22 23.335 34.042 20.951 1.00 21.46 H new ATOM 0 HA CYS A 22 22.345 32.765 23.474 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.066 34.082 21.393 1.00 15.71 H new ATOM 0 HB3 CYS A 22 20.911 32.408 20.897 1.00 15.71 H new ATOM 354 N PRO A 23 23.017 30.421 22.915 1.00 13.86 N ATOM 355 CA PRO A 23 23.492 29.042 22.652 1.00 13.47 C ATOM 356 C PRO A 23 22.681 28.323 21.558 1.00 8.59 C ATOM 357 O PRO A 23 23.163 27.386 20.952 1.00 10.79 O ATOM 358 CB PRO A 23 23.339 28.313 23.991 1.00 11.94 C ATOM 359 CG PRO A 23 22.920 29.355 25.048 1.00 7.24 C ATOM 360 CD PRO A 23 22.654 30.681 24.322 1.00 12.58 C ATOM 0 HA PRO A 23 24.517 29.055 22.283 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.590 27.525 23.914 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.277 27.835 24.276 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.027 29.024 25.577 1.00 7.24 H new ATOM 0 HG3 PRO A 23 23.705 29.479 25.794 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.609 30.979 24.412 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.253 31.489 24.742 1.00 12.58 H new ATOM 368 N TYR A 24 21.465 28.721 21.298 1.00 0.00 N ATOM 369 CA TYR A 24 20.679 28.006 20.244 1.00 0.00 C ATOM 370 C TYR A 24 21.302 28.271 18.880 1.00 0.00 C ATOM 371 O TYR A 24 21.450 27.375 18.071 1.00 0.00 O ATOM 372 CB TYR A 24 19.230 28.496 20.234 1.00 0.00 C ATOM 373 CG TYR A 24 18.436 27.767 21.288 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.528 28.156 22.627 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.600 26.706 20.918 1.00 0.00 C ATOM 376 CE1 TYR A 24 17.783 27.485 23.601 1.00 0.00 C ATOM 377 CE2 TYR A 24 16.856 26.033 21.892 1.00 0.00 C ATOM 378 CZ TYR A 24 16.947 26.424 23.234 1.00 0.00 C ATOM 379 OH TYR A 24 16.211 25.764 24.195 1.00 0.00 O ATOM 0 H TYR A 24 20.986 29.495 21.758 1.00 0.00 H new ATOM 0 HA TYR A 24 20.693 26.938 20.462 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.198 29.570 20.420 1.00 0.00 H new ATOM 0 HB3 TYR A 24 18.787 28.329 19.252 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.174 28.974 22.909 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.530 26.408 19.882 1.00 0.00 H new ATOM 0 HE1 TYR A 24 17.852 27.785 24.636 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.212 25.213 21.610 1.00 0.00 H new ATOM 0 HH TYR A 24 15.683 25.055 23.773 1.00 0.00 H new ATOM 389 N SER A 25 21.678 29.486 18.615 1.00 0.00 N ATOM 390 CA SER A 25 22.302 29.783 17.306 1.00 0.00 C ATOM 391 C SER A 25 23.600 28.994 17.222 1.00 0.00 C ATOM 392 O SER A 25 23.957 28.463 16.191 1.00 0.00 O ATOM 393 CB SER A 25 22.599 31.280 17.208 1.00 0.00 C ATOM 394 OG SER A 25 21.901 31.964 18.241 1.00 0.00 O ATOM 0 H SER A 25 21.580 30.282 19.246 1.00 0.00 H new ATOM 0 HA SER A 25 21.634 29.506 16.490 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.671 31.457 17.298 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.294 31.660 16.233 1.00 0.00 H new ATOM 0 HG SER A 25 22.317 32.838 18.393 1.00 0.00 H new ATOM 400 N ARG A 26 24.297 28.898 18.316 1.00 16.21 N ATOM 401 CA ARG A 26 25.559 28.123 18.318 1.00 15.67 C ATOM 402 C ARG A 26 25.235 26.672 17.966 1.00 13.70 C ATOM 403 O ARG A 26 25.953 26.027 17.228 1.00 12.41 O ATOM 404 CB ARG A 26 26.193 28.189 19.712 1.00 22.04 C ATOM 405 CG ARG A 26 26.959 29.509 19.870 1.00 31.64 C ATOM 406 CD ARG A 26 28.167 29.532 18.923 1.00 43.08 C ATOM 407 NE ARG A 26 29.386 29.986 19.661 1.00 52.93 N ATOM 408 CZ ARG A 26 29.347 31.022 20.455 1.00 57.80 C ATOM 409 NH1 ARG A 26 28.255 31.727 20.567 1.00 58.61 N ATOM 410 NH2 ARG A 26 30.412 31.364 21.123 1.00 59.59 N ATOM 0 H ARG A 26 24.045 29.324 19.208 1.00 16.21 H new ATOM 0 HA ARG A 26 26.258 28.535 17.590 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.421 28.112 20.477 1.00 22.04 H new ATOM 0 HB3 ARG A 26 26.869 27.346 19.855 1.00 22.04 H new ATOM 0 HG2 ARG A 26 26.300 30.350 19.653 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.293 29.624 20.901 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.333 28.538 18.507 1.00 43.08 H new ATOM 0 HD3 ARG A 26 27.970 30.200 18.084 1.00 43.08 H new ATOM 0 HE ARG A 26 30.262 29.478 19.542 1.00 52.93 H new ATOM 0 HH11 ARG A 26 27.425 31.470 20.033 1.00 58.61 H new ATOM 0 HH12 ARG A 26 28.231 32.535 21.189 1.00 58.61 H new ATOM 0 HH21 ARG A 26 31.271 30.823 21.025 1.00 59.59 H new ATOM 0 HH22 ARG A 26 30.387 32.172 21.744 1.00 59.59 H new ATOM 424 N ARG A 27 24.152 26.151 18.480 1.00 0.00 N ATOM 425 CA ARG A 27 23.788 24.744 18.157 1.00 0.00 C ATOM 426 C ARG A 27 23.761 24.583 16.638 1.00 0.00 C ATOM 427 O ARG A 27 24.279 23.629 16.095 1.00 0.00 O ATOM 428 CB ARG A 27 22.401 24.411 18.736 1.00 0.00 C ATOM 429 CG ARG A 27 22.527 23.316 19.808 1.00 0.00 C ATOM 430 CD ARG A 27 23.034 23.933 21.115 1.00 0.00 C ATOM 431 NE ARG A 27 24.090 23.060 21.713 1.00 0.00 N ATOM 432 CZ ARG A 27 23.922 21.769 21.806 1.00 0.00 C ATOM 433 NH1 ARG A 27 22.788 21.226 21.457 1.00 0.00 N ATOM 434 NH2 ARG A 27 24.884 21.024 22.273 1.00 0.00 N ATOM 0 H ARG A 27 23.509 26.637 19.105 1.00 0.00 H new ATOM 0 HA ARG A 27 24.521 24.066 18.593 1.00 0.00 H new ATOM 0 HB2 ARG A 27 21.954 25.306 19.169 1.00 0.00 H new ATOM 0 HB3 ARG A 27 21.736 24.077 17.940 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.561 22.839 19.970 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.213 22.539 19.470 1.00 0.00 H new ATOM 0 HD2 ARG A 27 23.437 24.928 20.926 1.00 0.00 H new ATOM 0 HD3 ARG A 27 22.208 24.052 21.816 1.00 0.00 H new ATOM 0 HE ARG A 27 24.955 23.480 22.054 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.028 21.811 21.110 1.00 0.00 H new ATOM 0 HH12 ARG A 27 22.662 20.217 21.531 1.00 0.00 H new ATOM 0 HH21 ARG A 27 25.764 21.450 22.564 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.757 20.015 22.347 1.00 0.00 H new ATOM 448 N ALA A 28 23.160 25.514 15.948 1.00 0.00 N ATOM 449 CA ALA A 28 23.104 25.416 14.466 1.00 0.00 C ATOM 450 C ALA A 28 24.529 25.433 13.916 1.00 0.00 C ATOM 451 O ALA A 28 24.844 24.771 12.948 1.00 0.00 O ATOM 452 CB ALA A 28 22.318 26.601 13.903 1.00 0.00 C ATOM 0 H ALA A 28 22.707 26.336 16.348 1.00 0.00 H new ATOM 0 HA ALA A 28 22.608 24.490 14.174 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.278 26.528 12.816 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.305 26.590 14.305 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.810 27.531 14.186 1.00 0.00 H new ATOM 458 N GLN A 29 25.396 26.185 14.533 1.00 19.83 N ATOM 459 CA GLN A 29 26.801 26.240 14.058 1.00 20.83 C ATOM 460 C GLN A 29 27.484 24.907 14.363 1.00 20.95 C ATOM 461 O GLN A 29 28.315 24.431 13.615 1.00 22.85 O ATOM 462 CB GLN A 29 27.540 27.365 14.793 1.00 21.33 C ATOM 463 CG GLN A 29 27.060 28.735 14.291 1.00 34.02 C ATOM 464 CD GLN A 29 28.187 29.762 14.439 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.309 30.420 15.560 1.00 42.72 O flip ATOM 466 NE2 GLN A 29 28.960 29.970 13.525 1.00 45.49 N flip ATOM 0 H GLN A 29 25.190 26.764 15.347 1.00 19.83 H new ATOM 0 HA GLN A 29 26.820 26.429 12.985 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.367 27.282 15.866 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.614 27.268 14.635 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.754 28.664 13.247 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.186 29.055 14.858 1.00 34.02 H new ATOM 0 HE21 GLN A 29 28.865 29.456 12.649 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.704 30.659 13.633 1.00 45.49 H new ATOM 475 N GLU A 30 27.146 24.320 15.473 1.00 22.87 N ATOM 476 CA GLU A 30 27.769 23.027 15.877 1.00 23.32 C ATOM 477 C GLU A 30 27.301 21.881 14.972 1.00 22.32 C ATOM 478 O GLU A 30 28.075 21.023 14.599 1.00 25.42 O ATOM 479 CB GLU A 30 27.376 22.721 17.323 1.00 24.18 C ATOM 480 CG GLU A 30 28.090 23.693 18.266 1.00 32.27 C ATOM 481 CD GLU A 30 29.555 23.278 18.419 1.00 34.97 C ATOM 482 OE1 GLU A 30 29.791 22.154 18.828 1.00 34.69 O ATOM 483 OE2 GLU A 30 30.415 24.092 18.125 1.00 32.92 O ATOM 0 H GLU A 30 26.455 24.684 16.129 1.00 22.87 H new ATOM 0 HA GLU A 30 28.851 23.116 15.784 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.296 22.809 17.443 1.00 24.18 H new ATOM 0 HB3 GLU A 30 27.642 21.694 17.573 1.00 24.18 H new ATOM 0 HG2 GLU A 30 28.028 24.708 17.873 1.00 32.27 H new ATOM 0 HG3 GLU A 30 27.599 23.698 19.239 1.00 32.27 H new ATOM 490 N ILE A 31 26.041 21.838 14.637 1.00 0.00 N ATOM 491 CA ILE A 31 25.539 20.716 13.783 1.00 0.00 C ATOM 492 C ILE A 31 26.026 20.877 12.343 1.00 0.00 C ATOM 493 O ILE A 31 26.823 20.099 11.858 1.00 0.00 O ATOM 494 CB ILE A 31 23.997 20.687 13.793 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.477 19.805 12.641 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.427 22.107 13.631 1.00 0.00 C ATOM 497 CD1 ILE A 31 24.164 18.435 12.668 1.00 0.00 C ATOM 0 H ILE A 31 25.339 22.524 14.913 1.00 0.00 H new ATOM 0 HA ILE A 31 25.925 19.782 14.191 1.00 0.00 H new ATOM 0 HB ILE A 31 23.672 20.276 14.749 1.00 0.00 H new ATOM 0 HG12 ILE A 31 22.398 19.680 12.728 1.00 0.00 H new ATOM 0 HG13 ILE A 31 23.665 20.295 11.686 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.338 22.065 13.641 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.773 22.734 14.453 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.766 22.529 12.685 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.787 17.823 11.849 1.00 0.00 H new ATOM 0 HD12 ILE A 31 25.241 18.566 12.558 1.00 0.00 H new ATOM 0 HD13 ILE A 31 23.954 17.941 13.617 1.00 0.00 H new ATOM 509 N LEU A 32 25.531 21.853 11.645 1.00 16.72 N ATOM 510 CA LEU A 32 25.939 22.029 10.233 1.00 15.05 C ATOM 511 C LEU A 32 27.461 22.044 10.127 1.00 15.55 C ATOM 512 O LEU A 32 28.020 21.845 9.066 1.00 17.28 O ATOM 513 CB LEU A 32 25.335 23.332 9.711 1.00 12.57 C ATOM 514 CG LEU A 32 23.901 23.062 9.225 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.041 24.314 9.412 1.00 10.68 C ATOM 516 CD2 LEU A 32 23.928 22.671 7.743 1.00 12.45 C ATOM 0 H LEU A 32 24.860 22.538 11.993 1.00 16.72 H new ATOM 0 HA LEU A 32 25.575 21.199 9.627 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.330 24.086 10.498 1.00 12.57 H new ATOM 0 HB3 LEU A 32 25.941 23.727 8.895 1.00 12.57 H new ATOM 0 HG LEU A 32 23.473 22.247 9.808 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.027 24.114 9.065 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.017 24.584 10.468 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.466 25.136 8.836 1.00 10.68 H new ATOM 0 HD21 LEU A 32 22.912 22.480 7.399 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.362 23.484 7.160 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.530 21.771 7.615 1.00 12.45 H new ATOM 528 N SER A 33 28.142 22.240 11.216 1.00 16.31 N ATOM 529 CA SER A 33 29.624 22.220 11.161 1.00 18.98 C ATOM 530 C SER A 33 30.075 20.785 10.873 1.00 18.49 C ATOM 531 O SER A 33 31.108 20.552 10.278 1.00 21.34 O ATOM 532 CB SER A 33 30.196 22.679 12.502 1.00 19.20 C ATOM 533 OG SER A 33 31.481 22.099 12.683 1.00 24.11 O ATOM 0 H SER A 33 27.739 22.412 12.137 1.00 16.31 H new ATOM 0 HA SER A 33 29.980 22.891 10.379 1.00 18.98 H new ATOM 0 HB2 SER A 33 30.267 23.766 12.528 1.00 19.20 H new ATOM 0 HB3 SER A 33 29.532 22.384 13.315 1.00 19.20 H new ATOM 0 HG SER A 33 31.385 21.209 13.081 1.00 24.11 H new ATOM 539 N GLN A 34 29.302 19.819 11.307 1.00 20.00 N ATOM 540 CA GLN A 34 29.670 18.392 11.083 1.00 24.71 C ATOM 541 C GLN A 34 29.019 17.861 9.797 1.00 23.33 C ATOM 542 O GLN A 34 29.173 16.706 9.451 1.00 26.27 O ATOM 543 CB GLN A 34 29.190 17.565 12.276 1.00 28.15 C ATOM 544 CG GLN A 34 29.648 18.230 13.577 1.00 37.01 C ATOM 545 CD GLN A 34 31.175 18.336 13.593 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.735 19.513 13.668 1.00 44.07 O flip ATOM 547 NE2 GLN A 34 31.866 17.338 13.539 1.00 41.20 N flip ATOM 0 H GLN A 34 28.426 19.962 11.810 1.00 20.00 H new ATOM 0 HA GLN A 34 30.752 18.314 10.980 1.00 24.71 H new ATOM 0 HB2 GLN A 34 28.103 17.482 12.261 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.588 16.552 12.213 1.00 28.15 H new ATOM 0 HG2 GLN A 34 29.204 19.222 13.666 1.00 37.01 H new ATOM 0 HG3 GLN A 34 29.305 17.650 14.434 1.00 37.01 H new ATOM 0 HE21 GLN A 34 31.429 16.418 13.480 1.00 41.20 H new ATOM 0 HE22 GLN A 34 32.883 17.420 13.552 1.00 41.20 H new ATOM 556 N LEU A 35 28.295 18.684 9.082 1.00 19.63 N ATOM 557 CA LEU A 35 27.652 18.200 7.828 1.00 15.93 C ATOM 558 C LEU A 35 28.636 18.375 6.657 1.00 13.36 C ATOM 559 O LEU A 35 29.166 19.453 6.472 1.00 16.12 O ATOM 560 CB LEU A 35 26.390 19.029 7.549 1.00 13.69 C ATOM 561 CG LEU A 35 25.199 18.507 8.373 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.951 19.348 8.057 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.918 17.032 8.035 1.00 16.28 C ATOM 0 H LEU A 35 28.123 19.663 9.312 1.00 19.63 H new ATOM 0 HA LEU A 35 27.385 17.149 7.936 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.576 20.075 7.792 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.149 18.987 6.487 1.00 13.69 H new ATOM 0 HG LEU A 35 25.442 18.587 9.433 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.107 18.979 8.640 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.141 20.391 8.312 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.720 19.271 6.995 1.00 11.03 H new ATOM 0 HD21 LEU A 35 24.073 16.678 8.626 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.683 16.940 6.975 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.798 16.432 8.265 1.00 16.28 H new ATOM 575 N PRO A 36 28.855 17.322 5.894 1.00 16.38 N ATOM 576 CA PRO A 36 29.776 17.378 4.743 1.00 17.59 C ATOM 577 C PRO A 36 29.172 18.250 3.640 1.00 19.11 C ATOM 578 O PRO A 36 28.765 17.771 2.600 1.00 21.54 O ATOM 579 CB PRO A 36 29.901 15.922 4.278 1.00 16.71 C ATOM 580 CG PRO A 36 28.766 15.130 4.964 1.00 16.59 C ATOM 581 CD PRO A 36 28.219 16.004 6.101 1.00 15.74 C ATOM 0 HA PRO A 36 30.745 17.809 4.995 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.817 15.855 3.193 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.875 15.513 4.548 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.978 14.892 4.250 1.00 16.59 H new ATOM 0 HG3 PRO A 36 29.140 14.183 5.354 1.00 16.59 H new ATOM 0 HD2 PRO A 36 27.132 16.077 6.058 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.472 15.590 7.077 1.00 15.74 H new ATOM 589 N ILE A 37 29.104 19.523 3.864 1.00 0.00 N ATOM 590 CA ILE A 37 28.525 20.433 2.841 1.00 0.00 C ATOM 591 C ILE A 37 29.578 20.732 1.773 1.00 0.00 C ATOM 592 O ILE A 37 30.764 20.645 2.018 1.00 0.00 O ATOM 593 CB ILE A 37 28.097 21.739 3.512 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.896 21.460 4.439 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.730 22.768 2.431 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.584 21.712 3.694 1.00 0.00 C ATOM 0 H ILE A 37 29.426 19.980 4.717 1.00 0.00 H new ATOM 0 HA ILE A 37 27.660 19.959 2.377 1.00 0.00 H new ATOM 0 HB ILE A 37 28.913 22.143 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.931 20.429 4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.951 22.099 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.424 23.701 2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.596 22.951 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.909 22.383 1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.744 21.512 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.546 22.750 3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.526 21.054 2.827 1.00 0.00 H new ATOM 608 N LYS A 38 29.156 21.077 0.587 1.00 12.68 N ATOM 609 CA LYS A 38 30.138 21.375 -0.489 1.00 12.78 C ATOM 610 C LYS A 38 31.122 22.444 -0.010 1.00 14.66 C ATOM 611 O LYS A 38 31.191 22.762 1.160 1.00 13.94 O ATOM 612 CB LYS A 38 29.400 21.882 -1.728 1.00 11.68 C ATOM 613 CG LYS A 38 28.624 20.730 -2.393 1.00 12.28 C ATOM 614 CD LYS A 38 29.320 20.299 -3.697 1.00 13.74 C ATOM 615 CE LYS A 38 28.295 19.677 -4.649 1.00 20.88 C ATOM 616 NZ LYS A 38 27.401 20.747 -5.175 1.00 29.41 N ATOM 0 H LYS A 38 28.176 21.165 0.319 1.00 12.68 H new ATOM 0 HA LYS A 38 30.686 20.466 -0.737 1.00 12.78 H new ATOM 0 HB2 LYS A 38 28.712 22.680 -1.449 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.112 22.307 -2.436 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.561 19.883 -1.710 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.602 21.046 -2.605 1.00 12.28 H new ATOM 0 HD2 LYS A 38 29.794 21.160 -4.169 1.00 13.74 H new ATOM 0 HD3 LYS A 38 30.110 19.581 -3.478 1.00 13.74 H new ATOM 0 HE2 LYS A 38 28.803 19.175 -5.472 1.00 20.88 H new ATOM 0 HE3 LYS A 38 27.709 18.921 -4.127 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 26.469 20.676 -4.719 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 27.816 21.678 -4.970 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 27.293 20.635 -6.203 1.00 29.41 H new ATOM 630 N GLN A 39 31.894 22.986 -0.911 1.00 0.00 N ATOM 631 CA GLN A 39 32.895 24.026 -0.531 1.00 0.00 C ATOM 632 C GLN A 39 32.235 25.192 0.217 1.00 0.00 C ATOM 633 O GLN A 39 31.528 25.009 1.187 1.00 0.00 O ATOM 634 CB GLN A 39 33.585 24.549 -1.793 1.00 0.00 C ATOM 635 CG GLN A 39 34.309 23.396 -2.490 1.00 0.00 C ATOM 636 CD GLN A 39 35.127 23.941 -3.662 1.00 0.00 C ATOM 637 OE1 GLN A 39 35.988 24.778 -3.481 1.00 0.00 O ATOM 638 NE2 GLN A 39 34.892 23.496 -4.867 1.00 0.00 N ATOM 0 H GLN A 39 31.875 22.752 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 39 33.627 23.570 0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 39 32.850 24.992 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.294 25.335 -1.534 1.00 0.00 H new ATOM 0 HG2 GLN A 39 34.962 22.883 -1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 39 33.587 22.662 -2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 39 34.169 22.793 -5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 39 35.432 23.851 -5.656 1.00 0.00 H new ATOM 647 N GLY A 40 32.492 26.397 -0.221 1.00 11.96 N ATOM 648 CA GLY A 40 31.918 27.591 0.462 1.00 8.67 C ATOM 649 C GLY A 40 30.405 27.634 0.278 1.00 10.51 C ATOM 650 O GLY A 40 29.848 28.625 -0.150 1.00 15.27 O ATOM 0 H GLY A 40 33.079 26.605 -1.029 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.161 27.562 1.524 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.366 28.499 0.058 1.00 8.67 H new ATOM 654 N LEU A 41 29.734 26.569 0.603 1.00 8.78 N ATOM 655 CA LEU A 41 28.248 26.546 0.457 1.00 6.78 C ATOM 656 C LEU A 41 27.608 26.823 1.812 1.00 7.45 C ATOM 657 O LEU A 41 26.543 27.400 1.909 1.00 2.18 O ATOM 658 CB LEU A 41 27.807 25.154 -0.018 1.00 6.98 C ATOM 659 CG LEU A 41 26.963 25.260 -1.296 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.887 25.433 -2.508 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.118 23.985 -1.454 1.00 6.68 C ATOM 0 H LEU A 41 30.147 25.709 0.965 1.00 8.78 H new ATOM 0 HA LEU A 41 27.941 27.302 -0.265 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.683 24.533 -0.205 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.230 24.663 0.765 1.00 6.98 H new ATOM 0 HG LEU A 41 26.301 26.123 -1.230 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.287 25.508 -3.415 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.479 26.341 -2.388 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.553 24.573 -2.584 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.517 24.057 -2.361 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.776 23.119 -1.522 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.461 23.875 -0.591 1.00 6.68 H new ATOM 673 N LEU A 42 28.252 26.395 2.853 1.00 7.13 N ATOM 674 CA LEU A 42 27.701 26.597 4.217 1.00 6.20 C ATOM 675 C LEU A 42 28.310 27.855 4.828 1.00 5.03 C ATOM 676 O LEU A 42 29.499 28.087 4.741 1.00 5.38 O ATOM 677 CB LEU A 42 28.061 25.379 5.068 1.00 3.82 C ATOM 678 CG LEU A 42 27.648 25.598 6.524 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.136 25.832 6.604 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.018 24.353 7.336 1.00 2.48 C ATOM 0 H LEU A 42 29.147 25.908 2.819 1.00 7.13 H new ATOM 0 HA LEU A 42 26.618 26.713 4.175 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.564 24.493 4.673 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.134 25.194 5.013 1.00 3.82 H new ATOM 0 HG LEU A 42 28.164 26.470 6.926 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.846 25.988 7.643 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.873 26.713 6.018 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.612 24.962 6.208 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.728 24.498 8.377 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.496 23.486 6.931 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.094 24.188 7.279 1.00 2.48 H new ATOM 692 N GLU A 43 27.502 28.674 5.440 1.00 5.92 N ATOM 693 CA GLU A 43 28.032 29.923 6.051 1.00 7.54 C ATOM 694 C GLU A 43 27.283 30.227 7.350 1.00 6.00 C ATOM 695 O GLU A 43 26.296 29.598 7.676 1.00 4.97 O ATOM 696 CB GLU A 43 27.834 31.082 5.070 1.00 8.77 C ATOM 697 CG GLU A 43 28.375 32.376 5.683 1.00 16.17 C ATOM 698 CD GLU A 43 28.668 33.386 4.571 1.00 21.65 C ATOM 699 OE1 GLU A 43 27.840 33.517 3.685 1.00 22.03 O ATOM 700 OE2 GLU A 43 29.717 34.007 4.624 1.00 19.19 O ATOM 0 H GLU A 43 26.497 28.532 5.543 1.00 5.92 H new ATOM 0 HA GLU A 43 29.092 29.797 6.271 1.00 7.54 H new ATOM 0 HB2 GLU A 43 28.348 30.870 4.133 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.776 31.195 4.834 1.00 8.77 H new ATOM 0 HG2 GLU A 43 27.649 32.790 6.383 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.283 32.170 6.250 1.00 16.17 H new ATOM 707 N PHE A 44 27.740 31.209 8.078 1.00 7.78 N ATOM 708 CA PHE A 44 27.067 31.604 9.348 1.00 9.60 C ATOM 709 C PHE A 44 26.927 33.124 9.333 1.00 6.71 C ATOM 710 O PHE A 44 27.901 33.851 9.364 1.00 6.85 O ATOM 711 CB PHE A 44 27.911 31.153 10.539 1.00 12.09 C ATOM 712 CG PHE A 44 28.226 29.683 10.392 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.237 28.724 10.649 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.505 29.278 9.991 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.528 27.362 10.505 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.796 27.916 9.849 1.00 16.33 C ATOM 717 CZ PHE A 44 28.808 26.958 10.107 1.00 10.85 C ATOM 0 H PHE A 44 28.564 31.763 7.843 1.00 7.78 H new ATOM 0 HA PHE A 44 26.087 31.136 9.436 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.833 31.732 10.588 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.373 31.331 11.470 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.250 29.036 10.958 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.267 30.017 9.791 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.765 26.623 10.701 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.783 27.604 9.540 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.033 25.907 9.999 1.00 10.85 H new ATOM 727 N VAL A 45 25.723 33.609 9.217 1.00 6.10 N ATOM 728 CA VAL A 45 25.511 35.082 9.117 1.00 6.58 C ATOM 729 C VAL A 45 25.176 35.713 10.470 1.00 6.12 C ATOM 730 O VAL A 45 24.080 35.586 10.980 1.00 5.14 O ATOM 731 CB VAL A 45 24.366 35.319 8.135 1.00 5.25 C ATOM 732 CG1 VAL A 45 23.915 36.781 8.189 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.851 34.975 6.725 1.00 2.33 C ATOM 0 H VAL A 45 24.872 33.047 9.187 1.00 6.10 H new ATOM 0 HA VAL A 45 26.433 35.550 8.773 1.00 6.58 H new ATOM 0 HB VAL A 45 23.518 34.688 8.402 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.098 36.936 7.484 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.575 37.020 9.197 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.750 37.429 7.925 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.043 35.140 6.012 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.698 35.610 6.466 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.158 33.930 6.691 1.00 2.33 H new ATOM 743 N ASP A 46 26.114 36.429 11.031 1.00 6.79 N ATOM 744 CA ASP A 46 25.873 37.118 12.326 1.00 6.49 C ATOM 745 C ASP A 46 25.174 38.454 12.054 1.00 9.11 C ATOM 746 O ASP A 46 25.803 39.434 11.708 1.00 7.52 O ATOM 747 CB ASP A 46 27.214 37.365 13.014 1.00 7.84 C ATOM 748 CG ASP A 46 27.951 36.034 13.172 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.436 35.174 13.868 1.00 15.32 O ATOM 750 OD2 ASP A 46 29.017 35.895 12.593 1.00 10.50 O ATOM 0 H ASP A 46 27.046 36.565 10.640 1.00 6.79 H new ATOM 0 HA ASP A 46 25.244 36.504 12.970 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.815 38.060 12.427 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.057 37.825 13.989 1.00 7.84 H new ATOM 755 N ILE A 47 23.879 38.496 12.191 1.00 8.21 N ATOM 756 CA ILE A 47 23.139 39.764 11.922 1.00 8.33 C ATOM 757 C ILE A 47 23.589 40.867 12.885 1.00 10.92 C ATOM 758 O ILE A 47 23.071 41.965 12.858 1.00 9.40 O ATOM 759 CB ILE A 47 21.638 39.524 12.084 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.349 38.968 13.480 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.174 38.517 11.034 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.836 38.942 13.712 1.00 7.93 C ATOM 0 H ILE A 47 23.299 37.708 12.478 1.00 8.21 H new ATOM 0 HA ILE A 47 23.353 40.083 10.902 1.00 8.33 H new ATOM 0 HB ILE A 47 21.106 40.466 11.955 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.760 37.963 13.576 1.00 6.34 H new ATOM 0 HG13 ILE A 47 21.834 39.585 14.237 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.104 38.342 11.145 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.376 38.911 10.038 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.711 37.578 11.168 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.627 38.546 14.706 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.438 39.954 13.633 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.364 38.307 12.962 1.00 7.93 H new ATOM 774 N THR A 48 24.543 40.594 13.734 1.00 13.41 N ATOM 775 CA THR A 48 25.009 41.643 14.691 1.00 16.67 C ATOM 776 C THR A 48 26.251 42.331 14.124 1.00 16.58 C ATOM 777 O THR A 48 26.450 43.517 14.296 1.00 18.03 O ATOM 778 CB THR A 48 25.360 40.993 16.034 1.00 15.80 C ATOM 779 OG1 THR A 48 26.700 40.517 15.994 1.00 21.06 O ATOM 780 CG2 THR A 48 24.410 39.827 16.303 1.00 21.72 C ATOM 0 H THR A 48 25.019 39.695 13.808 1.00 13.41 H new ATOM 0 HA THR A 48 24.217 42.377 14.838 1.00 16.67 H new ATOM 0 HB THR A 48 25.260 41.730 16.831 1.00 15.80 H new ATOM 0 HG1 THR A 48 26.926 40.103 16.853 1.00 21.06 H new ATOM 0 HG21 THR A 48 24.661 39.366 17.258 1.00 21.72 H new ATOM 0 HG22 THR A 48 23.384 40.194 16.336 1.00 21.72 H new ATOM 0 HG23 THR A 48 24.506 39.088 15.507 1.00 21.72 H new ATOM 788 N ALA A 49 27.087 41.596 13.446 1.00 15.36 N ATOM 789 CA ALA A 49 28.315 42.207 12.864 1.00 18.08 C ATOM 790 C ALA A 49 27.960 42.959 11.578 1.00 20.63 C ATOM 791 O ALA A 49 28.769 43.080 10.680 1.00 22.45 O ATOM 792 CB ALA A 49 29.328 41.106 12.544 1.00 18.76 C ATOM 0 H ALA A 49 26.973 40.598 13.269 1.00 15.36 H new ATOM 0 HA ALA A 49 28.745 42.904 13.583 1.00 18.08 H new ATOM 0 HB1 ALA A 49 30.227 41.551 12.118 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.586 40.572 13.459 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.894 40.409 11.827 1.00 18.76 H new ATOM 798 N THR A 50 26.758 43.460 11.474 1.00 22.30 N ATOM 799 CA THR A 50 26.364 44.197 10.236 1.00 25.27 C ATOM 800 C THR A 50 25.429 45.357 10.588 1.00 24.34 C ATOM 801 O THR A 50 25.036 46.127 9.735 1.00 25.49 O ATOM 802 CB THR A 50 25.644 43.238 9.284 1.00 22.85 C ATOM 803 OG1 THR A 50 25.384 43.903 8.056 1.00 23.28 O ATOM 804 CG2 THR A 50 24.324 42.784 9.910 1.00 25.63 C ATOM 0 H THR A 50 26.034 43.392 12.189 1.00 22.30 H new ATOM 0 HA THR A 50 27.259 44.594 9.757 1.00 25.27 H new ATOM 0 HB THR A 50 26.273 42.366 9.102 1.00 22.85 H new ATOM 0 HG1 THR A 50 25.171 44.843 8.232 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.814 42.102 9.230 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.525 42.274 10.852 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.691 43.652 10.095 1.00 25.63 H new ATOM 812 N ASN A 51 25.067 45.489 11.834 1.00 0.00 N ATOM 813 CA ASN A 51 24.157 46.598 12.232 1.00 0.00 C ATOM 814 C ASN A 51 22.759 46.328 11.668 1.00 0.00 C ATOM 815 O ASN A 51 22.526 45.323 11.027 1.00 0.00 O ATOM 816 CB ASN A 51 24.691 47.930 11.691 1.00 0.00 C ATOM 817 CG ASN A 51 24.230 49.073 12.599 1.00 0.00 C ATOM 818 OD1 ASN A 51 24.743 49.244 13.687 1.00 0.00 O ATOM 819 ND2 ASN A 51 23.275 49.864 12.196 1.00 0.00 N ATOM 0 H ASN A 51 25.363 44.876 12.594 1.00 0.00 H new ATOM 0 HA ASN A 51 24.106 46.656 13.319 1.00 0.00 H new ATOM 0 HB2 ASN A 51 25.780 47.905 11.644 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.332 48.092 10.675 1.00 0.00 H new ATOM 0 HD21 ASN A 51 22.958 50.627 12.794 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.845 49.720 11.282 1.00 0.00 H new ATOM 826 N HIS A 52 21.826 47.211 11.904 1.00 0.00 N ATOM 827 CA HIS A 52 20.447 46.987 11.382 1.00 0.00 C ATOM 828 C HIS A 52 19.965 45.613 11.853 1.00 0.00 C ATOM 829 O HIS A 52 19.156 44.972 11.215 1.00 0.00 O ATOM 830 CB HIS A 52 20.446 47.033 9.846 1.00 0.00 C ATOM 831 CG HIS A 52 21.649 47.788 9.351 1.00 0.00 C ATOM 832 ND1 HIS A 52 22.057 49.087 9.529 1.00 0.00 N flip ATOM 833 CD2 HIS A 52 22.602 47.200 8.534 1.00 0.00 C flip ATOM 834 CE1 HIS A 52 23.245 49.303 8.835 1.00 0.00 C flip ATOM 835 NE2 HIS A 52 23.528 48.134 8.253 1.00 0.00 N flip ATOM 0 H HIS A 52 21.958 48.073 12.433 1.00 0.00 H new ATOM 0 HA HIS A 52 19.784 47.768 11.754 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.452 46.020 9.444 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.534 47.512 9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 52 22.601 46.178 8.186 1.00 0.00 H new ATOM 0 HE1 HIS A 52 23.815 50.219 8.779 1.00 0.00 H new ATOM 0 HE2 HIS A 52 24.347 47.970 7.667 1.00 0.00 H new ATOM 843 N THR A 53 20.472 45.154 12.959 1.00 18.27 N ATOM 844 CA THR A 53 20.070 43.817 13.478 1.00 16.01 C ATOM 845 C THR A 53 18.554 43.627 13.351 1.00 16.57 C ATOM 846 O THR A 53 18.086 42.672 12.766 1.00 18.87 O ATOM 847 CB THR A 53 20.475 43.717 14.955 1.00 15.02 C ATOM 848 OG1 THR A 53 21.602 44.549 15.187 1.00 13.32 O ATOM 849 CG2 THR A 53 20.828 42.270 15.302 1.00 9.59 C ATOM 0 H THR A 53 21.154 45.651 13.532 1.00 18.27 H new ATOM 0 HA THR A 53 20.568 43.041 12.897 1.00 16.01 H new ATOM 0 HB THR A 53 19.643 44.040 15.581 1.00 15.02 H new ATOM 0 HG1 THR A 53 21.864 44.490 16.130 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.114 42.207 16.352 1.00 9.59 H new ATOM 0 HG22 THR A 53 19.963 41.631 15.123 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.659 41.939 14.679 1.00 9.59 H new ATOM 857 N ASN A 54 17.787 44.519 13.915 1.00 13.94 N ATOM 858 CA ASN A 54 16.301 44.383 13.856 1.00 18.93 C ATOM 859 C ASN A 54 15.803 44.365 12.408 1.00 16.34 C ATOM 860 O ASN A 54 14.815 43.729 12.099 1.00 15.61 O ATOM 861 CB ASN A 54 15.655 45.555 14.597 1.00 24.12 C ATOM 862 CG ASN A 54 16.220 45.641 16.017 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.990 44.796 16.431 1.00 45.21 O ATOM 864 ND2 ASN A 54 15.866 46.634 16.788 1.00 37.58 N ATOM 0 H ASN A 54 18.125 45.340 14.417 1.00 13.94 H new ATOM 0 HA ASN A 54 16.025 43.439 14.327 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.846 46.486 14.062 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.574 45.424 14.633 1.00 24.12 H new ATOM 0 HD21 ASN A 54 16.235 46.700 17.736 1.00 37.58 H new ATOM 0 HD22 ASN A 54 15.220 47.343 16.442 1.00 37.58 H new ATOM 871 N GLU A 55 16.451 45.063 11.520 1.00 16.09 N ATOM 872 CA GLU A 55 15.972 45.082 10.109 1.00 15.04 C ATOM 873 C GLU A 55 16.023 43.673 9.513 1.00 15.56 C ATOM 874 O GLU A 55 15.098 43.242 8.855 1.00 18.95 O ATOM 875 CB GLU A 55 16.854 46.020 9.283 1.00 18.55 C ATOM 876 CG GLU A 55 16.517 47.475 9.622 1.00 23.55 C ATOM 877 CD GLU A 55 16.527 47.669 11.140 1.00 30.41 C ATOM 878 OE1 GLU A 55 17.483 47.241 11.765 1.00 33.02 O ATOM 879 OE2 GLU A 55 15.575 48.234 11.651 1.00 31.49 O ATOM 0 H GLU A 55 17.286 45.618 11.707 1.00 16.09 H new ATOM 0 HA GLU A 55 14.941 45.436 10.090 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.906 45.822 9.490 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.699 45.839 8.219 1.00 18.55 H new ATOM 0 HG2 GLU A 55 17.241 48.144 9.156 1.00 23.55 H new ATOM 0 HG3 GLU A 55 15.538 47.734 9.219 1.00 23.55 H new ATOM 886 N ILE A 56 17.087 42.947 9.726 1.00 9.56 N ATOM 887 CA ILE A 56 17.157 41.575 9.148 1.00 8.91 C ATOM 888 C ILE A 56 16.097 40.688 9.801 1.00 7.70 C ATOM 889 O ILE A 56 15.278 40.098 9.127 1.00 9.84 O ATOM 890 CB ILE A 56 18.549 40.974 9.371 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.553 41.633 8.410 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.502 39.464 9.106 1.00 2.31 C ATOM 893 CD1 ILE A 56 20.187 42.852 9.084 1.00 8.03 C ATOM 0 H ILE A 56 17.900 43.239 10.268 1.00 9.56 H new ATOM 0 HA ILE A 56 16.970 41.633 8.076 1.00 8.91 H new ATOM 0 HB ILE A 56 18.861 41.153 10.400 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.326 40.918 8.129 1.00 6.47 H new ATOM 0 HG13 ILE A 56 19.049 41.934 7.492 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.492 39.036 9.264 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.791 38.997 9.788 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.190 39.285 8.077 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.898 43.317 8.401 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.409 43.570 9.342 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.706 42.538 9.990 1.00 8.03 H new ATOM 905 N GLN A 57 16.086 40.589 11.102 1.00 7.49 N ATOM 906 CA GLN A 57 15.056 39.733 11.751 1.00 6.88 C ATOM 907 C GLN A 57 13.696 40.215 11.284 1.00 9.50 C ATOM 908 O GLN A 57 12.837 39.441 10.909 1.00 11.03 O ATOM 909 CB GLN A 57 15.130 39.872 13.269 1.00 11.02 C ATOM 910 CG GLN A 57 16.592 39.986 13.706 1.00 12.13 C ATOM 911 CD GLN A 57 16.774 39.287 15.055 1.00 16.77 C ATOM 912 OE1 GLN A 57 16.689 38.078 15.142 1.00 17.49 O ATOM 913 NE2 GLN A 57 17.020 40.001 16.119 1.00 17.84 N ATOM 0 H GLN A 57 16.735 41.056 11.735 1.00 7.49 H new ATOM 0 HA GLN A 57 15.222 38.689 11.485 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.575 40.753 13.591 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.664 39.010 13.746 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.243 39.533 12.958 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.879 41.035 13.785 1.00 12.13 H new ATOM 0 HE21 GLN A 57 17.092 41.016 16.047 1.00 17.84 H new ATOM 0 HE22 GLN A 57 17.141 39.544 17.023 1.00 17.84 H new ATOM 922 N ASP A 58 13.507 41.501 11.280 1.00 13.48 N ATOM 923 CA ASP A 58 12.216 42.046 10.810 1.00 13.94 C ATOM 924 C ASP A 58 11.977 41.481 9.416 1.00 13.32 C ATOM 925 O ASP A 58 10.864 41.187 9.029 1.00 14.28 O ATOM 926 CB ASP A 58 12.299 43.573 10.748 1.00 12.80 C ATOM 927 CG ASP A 58 12.089 44.157 12.147 1.00 17.19 C ATOM 928 OD1 ASP A 58 11.198 43.689 12.835 1.00 15.13 O ATOM 929 OD2 ASP A 58 12.823 45.064 12.505 1.00 18.84 O ATOM 0 H ASP A 58 14.191 42.195 11.582 1.00 13.48 H new ATOM 0 HA ASP A 58 11.403 41.774 11.483 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.270 43.879 10.357 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.544 43.961 10.064 1.00 12.80 H new ATOM 934 N TYR A 59 13.035 41.302 8.671 1.00 12.69 N ATOM 935 CA TYR A 59 12.895 40.727 7.307 1.00 10.10 C ATOM 936 C TYR A 59 12.712 39.211 7.424 1.00 7.75 C ATOM 937 O TYR A 59 11.847 38.635 6.795 1.00 5.81 O ATOM 938 CB TYR A 59 14.138 41.038 6.472 1.00 12.40 C ATOM 939 CG TYR A 59 13.840 40.747 5.020 1.00 12.76 C ATOM 940 CD1 TYR A 59 14.014 39.454 4.518 1.00 6.81 C ATOM 941 CD2 TYR A 59 13.380 41.769 4.180 1.00 11.52 C ATOM 942 CE1 TYR A 59 13.732 39.179 3.176 1.00 10.94 C ATOM 943 CE2 TYR A 59 13.096 41.494 2.837 1.00 8.47 C ATOM 944 CZ TYR A 59 13.273 40.199 2.335 1.00 9.37 C ATOM 945 OH TYR A 59 12.993 39.928 1.011 1.00 12.99 O ATOM 0 H TYR A 59 13.989 41.530 8.950 1.00 12.69 H new ATOM 0 HA TYR A 59 12.028 41.167 6.814 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.423 42.083 6.596 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.980 40.435 6.812 1.00 12.40 H new ATOM 0 HD1 TYR A 59 14.367 38.666 5.167 1.00 6.81 H new ATOM 0 HD2 TYR A 59 13.245 42.768 4.568 1.00 11.52 H new ATOM 0 HE1 TYR A 59 13.868 38.180 2.789 1.00 10.94 H new ATOM 0 HE2 TYR A 59 12.740 42.281 2.188 1.00 8.47 H new ATOM 0 HH TYR A 59 12.684 40.746 0.568 1.00 12.99 H new ATOM 955 N LEU A 60 13.508 38.556 8.234 1.00 10.71 N ATOM 956 CA LEU A 60 13.345 37.081 8.386 1.00 11.04 C ATOM 957 C LEU A 60 11.894 36.811 8.753 1.00 10.32 C ATOM 958 O LEU A 60 11.299 35.833 8.344 1.00 14.61 O ATOM 959 CB LEU A 60 14.245 36.553 9.510 1.00 7.24 C ATOM 960 CG LEU A 60 15.714 36.891 9.234 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.590 36.259 10.322 1.00 9.54 C ATOM 962 CD2 LEU A 60 16.127 36.343 7.863 1.00 7.23 C ATOM 0 H LEU A 60 14.254 38.975 8.789 1.00 10.71 H new ATOM 0 HA LEU A 60 13.620 36.583 7.456 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.939 36.988 10.462 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.126 35.473 9.600 1.00 7.24 H new ATOM 0 HG LEU A 60 15.843 37.973 9.239 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.636 36.497 10.130 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.301 36.653 11.296 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.456 35.177 10.314 1.00 9.54 H new ATOM 0 HD21 LEU A 60 17.172 36.587 7.673 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.999 35.261 7.850 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.504 36.791 7.089 1.00 7.23 H new ATOM 974 N GLN A 61 11.324 37.687 9.525 1.00 10.78 N ATOM 975 CA GLN A 61 9.912 37.524 9.940 1.00 11.72 C ATOM 976 C GLN A 61 9.009 37.511 8.702 1.00 14.05 C ATOM 977 O GLN A 61 8.267 36.578 8.474 1.00 14.24 O ATOM 978 CB GLN A 61 9.538 38.703 10.839 1.00 17.47 C ATOM 979 CG GLN A 61 8.103 38.545 11.341 1.00 25.06 C ATOM 980 CD GLN A 61 8.086 37.641 12.575 1.00 31.26 C ATOM 981 OE1 GLN A 61 9.118 37.168 13.010 1.00 40.45 O ATOM 982 NE2 GLN A 61 6.952 37.380 13.161 1.00 30.05 N ATOM 0 H GLN A 61 11.785 38.520 9.890 1.00 10.78 H new ATOM 0 HA GLN A 61 9.783 36.585 10.478 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.224 38.758 11.685 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.638 39.638 10.287 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.684 39.521 11.587 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.478 38.118 10.557 1.00 25.06 H new ATOM 0 HE21 GLN A 61 6.086 37.777 12.796 1.00 30.05 H new ATOM 0 HE22 GLN A 61 6.930 36.779 13.985 1.00 30.05 H new ATOM 991 N GLN A 62 9.058 38.545 7.909 1.00 15.71 N ATOM 992 CA GLN A 62 8.193 38.595 6.695 1.00 18.54 C ATOM 993 C GLN A 62 8.638 37.531 5.687 1.00 19.36 C ATOM 994 O GLN A 62 7.831 36.952 4.987 1.00 19.52 O ATOM 995 CB GLN A 62 8.301 39.981 6.053 1.00 25.59 C ATOM 996 CG GLN A 62 7.155 40.179 5.057 1.00 34.08 C ATOM 997 CD GLN A 62 7.201 41.605 4.501 1.00 38.28 C ATOM 998 OE1 GLN A 62 8.197 42.387 4.820 1.00 41.81 O flip ATOM 999 NE2 GLN A 62 6.321 42.012 3.768 1.00 36.81 N flip ATOM 0 H GLN A 62 9.659 39.357 8.048 1.00 15.71 H new ATOM 0 HA GLN A 62 7.160 38.401 6.984 1.00 18.54 H new ATOM 0 HB2 GLN A 62 8.265 40.753 6.822 1.00 25.59 H new ATOM 0 HB3 GLN A 62 9.260 40.083 5.544 1.00 25.59 H new ATOM 0 HG2 GLN A 62 7.237 39.458 4.244 1.00 34.08 H new ATOM 0 HG3 GLN A 62 6.198 39.999 5.547 1.00 34.08 H new ATOM 0 HE21 GLN A 62 5.543 41.402 3.518 1.00 36.81 H new ATOM 0 HE22 GLN A 62 6.361 42.963 3.403 1.00 36.81 H new ATOM 1008 N LEU A 63 9.914 37.275 5.600 1.00 17.09 N ATOM 1009 CA LEU A 63 10.404 36.255 4.626 1.00 16.00 C ATOM 1010 C LEU A 63 9.893 34.872 5.020 1.00 11.34 C ATOM 1011 O LEU A 63 9.379 34.132 4.205 1.00 10.68 O ATOM 1012 CB LEU A 63 11.938 36.247 4.609 1.00 19.91 C ATOM 1013 CG LEU A 63 12.444 35.208 3.595 1.00 21.77 C ATOM 1014 CD1 LEU A 63 12.079 35.646 2.172 1.00 21.25 C ATOM 1015 CD2 LEU A 63 13.966 35.078 3.712 1.00 19.51 C ATOM 0 H LEU A 63 10.638 37.726 6.159 1.00 17.09 H new ATOM 0 HA LEU A 63 10.032 36.507 3.633 1.00 16.00 H new ATOM 0 HB2 LEU A 63 12.313 37.236 4.347 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.320 36.014 5.603 1.00 19.91 H new ATOM 0 HG LEU A 63 11.976 34.246 3.806 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.441 34.905 1.459 1.00 21.25 H new ATOM 0 HD12 LEU A 63 10.996 35.735 2.085 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.540 36.610 1.959 1.00 21.25 H new ATOM 0 HD21 LEU A 63 14.325 34.341 2.993 1.00 19.51 H new ATOM 0 HD22 LEU A 63 14.430 36.042 3.506 1.00 19.51 H new ATOM 0 HD23 LEU A 63 14.227 34.758 4.721 1.00 19.51 H new ATOM 1027 N THR A 64 10.044 34.516 6.261 1.00 10.04 N ATOM 1028 CA THR A 64 9.585 33.173 6.724 1.00 8.87 C ATOM 1029 C THR A 64 8.392 33.339 7.666 1.00 10.75 C ATOM 1030 O THR A 64 7.297 32.900 7.377 1.00 11.38 O ATOM 1031 CB THR A 64 10.730 32.473 7.465 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.653 32.771 8.852 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.071 32.962 6.912 1.00 6.96 C ATOM 0 H THR A 64 10.468 35.099 6.983 1.00 10.04 H new ATOM 0 HA THR A 64 9.287 32.573 5.865 1.00 8.87 H new ATOM 0 HB THR A 64 10.648 31.396 7.321 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.476 33.221 9.136 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.885 32.464 7.439 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.132 32.731 5.849 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.152 34.040 7.054 1.00 6.96 H new ATOM 1041 N GLY A 65 8.591 33.967 8.792 1.00 10.19 N ATOM 1042 CA GLY A 65 7.460 34.154 9.742 1.00 13.28 C ATOM 1043 C GLY A 65 7.994 34.333 11.164 1.00 14.66 C ATOM 1044 O GLY A 65 7.562 35.202 11.891 1.00 14.79 O ATOM 0 H GLY A 65 9.484 34.357 9.094 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.872 35.025 9.453 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.794 33.292 9.701 1.00 13.28 H new ATOM 1048 N ALA A 66 8.922 33.509 11.571 1.00 12.02 N ATOM 1049 CA ALA A 66 9.476 33.623 12.954 1.00 9.85 C ATOM 1050 C ALA A 66 10.770 34.436 12.941 1.00 14.04 C ATOM 1051 O ALA A 66 11.557 34.364 12.019 1.00 17.81 O ATOM 1052 CB ALA A 66 9.759 32.224 13.500 1.00 13.74 C ATOM 0 H ALA A 66 9.322 32.760 11.005 1.00 12.02 H new ATOM 0 HA ALA A 66 8.748 34.129 13.589 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.163 32.302 14.509 1.00 13.74 H new ATOM 0 HB2 ALA A 66 8.834 31.649 13.524 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.482 31.722 12.857 1.00 13.74 H new ATOM 1058 N ARG A 67 10.993 35.207 13.971 1.00 15.81 N ATOM 1059 CA ARG A 67 12.230 36.034 14.057 1.00 16.07 C ATOM 1060 C ARG A 67 13.128 35.480 15.167 1.00 14.37 C ATOM 1061 O ARG A 67 13.839 36.209 15.829 1.00 14.43 O ATOM 1062 CB ARG A 67 11.837 37.475 14.389 1.00 15.97 C ATOM 1063 CG ARG A 67 10.901 37.505 15.614 1.00 17.12 C ATOM 1064 CD ARG A 67 11.605 38.188 16.791 1.00 22.31 C ATOM 1065 NE ARG A 67 12.007 39.565 16.394 1.00 23.80 N ATOM 1066 CZ ARG A 67 12.353 40.427 17.308 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.348 40.079 18.565 1.00 29.76 N ATOM 1068 NH2 ARG A 67 12.706 41.636 16.966 1.00 21.50 N ATOM 0 H ARG A 67 10.362 35.300 14.767 1.00 15.81 H new ATOM 0 HA ARG A 67 12.767 36.007 13.109 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.731 38.066 14.591 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.341 37.931 13.532 1.00 15.97 H new ATOM 0 HG2 ARG A 67 9.983 38.039 15.368 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.615 36.490 15.889 1.00 17.12 H new ATOM 0 HD2 ARG A 67 10.941 38.226 17.654 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.482 37.613 17.088 1.00 22.31 H new ATOM 0 HE ARG A 67 12.012 39.833 15.410 1.00 23.80 H new ATOM 0 HH11 ARG A 67 12.074 39.133 18.831 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.619 40.752 19.282 1.00 29.76 H new ATOM 0 HH21 ARG A 67 12.711 41.907 15.983 1.00 21.50 H new ATOM 0 HH22 ARG A 67 12.977 42.310 17.682 1.00 21.50 H new ATOM 1082 N THR A 68 13.076 34.195 15.389 1.00 13.52 N ATOM 1083 CA THR A 68 13.897 33.575 16.471 1.00 14.97 C ATOM 1084 C THR A 68 15.320 33.267 15.977 1.00 12.85 C ATOM 1085 O THR A 68 15.599 33.276 14.795 1.00 10.80 O ATOM 1086 CB THR A 68 13.223 32.261 16.893 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.005 32.115 16.177 1.00 18.26 O ATOM 1088 CG2 THR A 68 12.937 32.266 18.398 1.00 14.06 C ATOM 0 H THR A 68 12.495 33.542 14.863 1.00 13.52 H new ATOM 0 HA THR A 68 13.966 34.270 17.308 1.00 14.97 H new ATOM 0 HB THR A 68 13.890 31.428 16.669 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.569 31.277 16.440 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.459 31.328 18.681 1.00 14.06 H new ATOM 0 HG22 THR A 68 13.873 32.376 18.946 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.275 33.097 18.640 1.00 14.06 H new ATOM 1096 N VAL A 69 16.211 32.956 16.890 1.00 8.20 N ATOM 1097 CA VAL A 69 17.613 32.604 16.507 1.00 5.92 C ATOM 1098 C VAL A 69 17.821 31.113 16.794 1.00 5.25 C ATOM 1099 O VAL A 69 17.461 30.659 17.853 1.00 5.78 O ATOM 1100 CB VAL A 69 18.600 33.394 17.374 1.00 4.36 C ATOM 1101 CG1 VAL A 69 19.998 33.323 16.763 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.164 34.854 17.467 1.00 4.08 C ATOM 0 H VAL A 69 16.023 32.931 17.892 1.00 8.20 H new ATOM 0 HA VAL A 69 17.778 32.836 15.455 1.00 5.92 H new ATOM 0 HB VAL A 69 18.616 32.958 18.373 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.695 33.886 17.383 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.319 32.283 16.709 1.00 2.07 H new ATOM 0 HG13 VAL A 69 19.979 33.749 15.760 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.872 35.406 18.085 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.137 35.290 16.468 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.171 34.910 17.914 1.00 4.08 H new ATOM 1112 N PRO A 70 18.400 30.380 15.881 1.00 5.33 N ATOM 1113 CA PRO A 70 18.872 30.870 14.567 1.00 6.04 C ATOM 1114 C PRO A 70 17.728 30.970 13.548 1.00 7.79 C ATOM 1115 O PRO A 70 16.557 30.883 13.867 1.00 7.15 O ATOM 1116 CB PRO A 70 19.840 29.769 14.105 1.00 3.22 C ATOM 1117 CG PRO A 70 19.510 28.502 14.931 1.00 6.88 C ATOM 1118 CD PRO A 70 18.661 28.956 16.124 1.00 6.17 C ATOM 0 HA PRO A 70 19.312 31.864 14.644 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.724 29.576 13.039 1.00 3.22 H new ATOM 0 HB3 PRO A 70 20.875 30.074 14.263 1.00 3.22 H new ATOM 0 HG2 PRO A 70 18.967 27.777 14.325 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.423 28.014 15.271 1.00 6.88 H new ATOM 0 HD2 PRO A 70 17.732 28.389 16.187 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.190 28.806 17.065 1.00 6.17 H new ATOM 1126 N ARG A 71 18.110 31.105 12.307 1.00 6.15 N ATOM 1127 CA ARG A 71 17.143 31.163 11.177 1.00 7.10 C ATOM 1128 C ARG A 71 17.864 30.536 9.974 1.00 4.23 C ATOM 1129 O ARG A 71 18.601 31.191 9.266 1.00 6.47 O ATOM 1130 CB ARG A 71 16.753 32.623 10.877 1.00 10.23 C ATOM 1131 CG ARG A 71 15.287 32.861 11.269 1.00 15.67 C ATOM 1132 CD ARG A 71 14.358 31.992 10.407 1.00 20.29 C ATOM 1133 NE ARG A 71 13.465 31.204 11.304 1.00 26.05 N ATOM 1134 CZ ARG A 71 12.416 30.599 10.820 1.00 19.78 C ATOM 1135 NH1 ARG A 71 12.156 30.657 9.542 1.00 22.60 N ATOM 1136 NH2 ARG A 71 11.629 29.929 11.616 1.00 23.53 N ATOM 0 H ARG A 71 19.087 31.180 12.023 1.00 6.15 H new ATOM 0 HA ARG A 71 16.221 30.630 11.410 1.00 7.10 H new ATOM 0 HB2 ARG A 71 17.402 33.303 11.429 1.00 10.23 H new ATOM 0 HB3 ARG A 71 16.895 32.837 9.818 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.142 32.625 12.323 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.035 33.914 11.140 1.00 15.67 H new ATOM 0 HD2 ARG A 71 13.765 32.619 9.741 1.00 20.29 H new ATOM 0 HD3 ARG A 71 14.944 31.323 9.777 1.00 20.29 H new ATOM 0 HE ARG A 71 13.675 31.138 12.300 1.00 26.05 H new ATOM 0 HH11 ARG A 71 12.774 31.177 8.919 1.00 22.60 H new ATOM 0 HH12 ARG A 71 11.335 30.183 9.167 1.00 22.60 H new ATOM 0 HH21 ARG A 71 11.835 29.879 12.614 1.00 23.53 H new ATOM 0 HH22 ARG A 71 10.808 29.455 11.241 1.00 23.53 H new ATOM 1150 N VAL A 72 17.704 29.251 9.784 1.00 4.55 N ATOM 1151 CA VAL A 72 18.432 28.544 8.681 1.00 6.53 C ATOM 1152 C VAL A 72 17.689 28.635 7.348 1.00 8.68 C ATOM 1153 O VAL A 72 16.495 28.860 7.296 1.00 6.48 O ATOM 1154 CB VAL A 72 18.583 27.077 9.076 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.285 26.309 7.955 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.412 26.988 10.362 1.00 3.35 C ATOM 0 H VAL A 72 17.097 28.656 10.348 1.00 4.55 H new ATOM 0 HA VAL A 72 19.402 29.022 8.545 1.00 6.53 H new ATOM 0 HB VAL A 72 17.599 26.639 9.243 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.390 25.263 8.242 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.694 26.377 7.042 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.272 26.739 7.782 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.524 25.943 10.651 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.396 27.425 10.192 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.906 27.532 11.159 1.00 3.35 H new ATOM 1166 N PHE A 73 18.407 28.461 6.260 1.00 5.39 N ATOM 1167 CA PHE A 73 17.772 28.539 4.912 1.00 6.90 C ATOM 1168 C PHE A 73 18.397 27.531 3.945 1.00 7.16 C ATOM 1169 O PHE A 73 19.319 27.861 3.225 1.00 14.07 O ATOM 1170 CB PHE A 73 18.000 29.929 4.318 1.00 6.44 C ATOM 1171 CG PHE A 73 17.089 30.935 4.965 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.475 31.564 6.152 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.864 31.249 4.368 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.634 32.510 6.743 1.00 6.98 C ATOM 1175 CE2 PHE A 73 15.021 32.194 4.960 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.406 32.826 6.149 1.00 7.54 C ATOM 0 H PHE A 73 19.409 28.268 6.253 1.00 5.39 H new ATOM 0 HA PHE A 73 16.711 28.325 5.038 1.00 6.90 H new ATOM 0 HB2 PHE A 73 19.039 30.226 4.461 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.820 29.905 3.243 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.421 31.319 6.611 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.569 30.762 3.450 1.00 12.42 H new ATOM 0 HE1 PHE A 73 16.931 32.998 7.659 1.00 6.98 H new ATOM 0 HE2 PHE A 73 14.074 32.436 4.501 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.756 33.557 6.607 1.00 7.54 H new ATOM 1186 N ILE A 74 17.884 26.338 3.854 1.00 5.91 N ATOM 1187 CA ILE A 74 18.456 25.400 2.851 1.00 7.08 C ATOM 1188 C ILE A 74 17.997 25.934 1.500 1.00 8.52 C ATOM 1189 O ILE A 74 16.813 26.027 1.241 1.00 6.64 O ATOM 1190 CB ILE A 74 17.915 23.981 3.064 1.00 6.37 C ATOM 1191 CG1 ILE A 74 17.760 23.712 4.565 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.881 22.959 2.446 1.00 4.80 C ATOM 1193 CD1 ILE A 74 19.089 23.968 5.281 1.00 9.34 C ATOM 0 H ILE A 74 17.112 25.977 4.415 1.00 5.91 H new ATOM 0 HA ILE A 74 19.542 25.342 2.928 1.00 7.08 H new ATOM 0 HB ILE A 74 16.943 23.888 2.580 1.00 6.37 H new ATOM 0 HG12 ILE A 74 16.984 24.355 4.980 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.442 22.682 4.728 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.493 21.952 2.600 1.00 4.80 H new ATOM 0 HG22 ILE A 74 18.979 23.151 1.378 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.858 23.048 2.922 1.00 4.80 H new ATOM 0 HD11 ILE A 74 18.971 23.775 6.347 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.854 23.307 4.875 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.389 25.005 5.131 1.00 9.34 H new ATOM 1205 N GLY A 75 18.894 26.357 0.658 1.00 9.27 N ATOM 1206 CA GLY A 75 18.430 26.953 -0.622 1.00 9.68 C ATOM 1207 C GLY A 75 17.559 28.151 -0.234 1.00 12.42 C ATOM 1208 O GLY A 75 17.733 28.713 0.827 1.00 11.15 O ATOM 0 H GLY A 75 19.904 26.318 0.794 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.274 27.266 -1.236 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.862 26.230 -1.207 1.00 9.68 H new ATOM 1212 N LYS A 76 16.618 28.546 -1.039 1.00 14.40 N ATOM 1213 CA LYS A 76 15.763 29.698 -0.631 1.00 16.68 C ATOM 1214 C LYS A 76 14.629 29.197 0.275 1.00 16.27 C ATOM 1215 O LYS A 76 13.794 29.960 0.718 1.00 14.00 O ATOM 1216 CB LYS A 76 15.166 30.367 -1.868 1.00 23.46 C ATOM 1217 CG LYS A 76 16.292 30.924 -2.742 1.00 30.10 C ATOM 1218 CD LYS A 76 15.714 31.929 -3.748 1.00 38.66 C ATOM 1219 CE LYS A 76 15.535 33.298 -3.080 1.00 42.17 C ATOM 1220 NZ LYS A 76 15.380 34.345 -4.129 1.00 44.86 N ATOM 0 H LYS A 76 16.403 28.133 -1.946 1.00 14.40 H new ATOM 0 HA LYS A 76 16.372 30.422 -0.090 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.575 29.647 -2.434 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.492 31.170 -1.570 1.00 23.46 H new ATOM 0 HG2 LYS A 76 17.043 31.409 -2.119 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.792 30.112 -3.270 1.00 30.10 H new ATOM 0 HD2 LYS A 76 16.379 32.019 -4.607 1.00 38.66 H new ATOM 0 HD3 LYS A 76 14.755 31.570 -4.123 1.00 38.66 H new ATOM 0 HE2 LYS A 76 14.660 33.286 -2.430 1.00 42.17 H new ATOM 0 HE3 LYS A 76 16.396 33.523 -2.451 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 15.259 35.274 -3.677 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 16.228 34.361 -4.731 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 14.545 34.132 -4.712 1.00 44.86 H new ATOM 1234 N ASP A 77 14.587 27.916 0.540 1.00 0.00 N ATOM 1235 CA ASP A 77 13.500 27.357 1.403 1.00 0.00 C ATOM 1236 C ASP A 77 13.910 27.377 2.882 1.00 0.00 C ATOM 1237 O ASP A 77 14.867 26.743 3.281 1.00 0.00 O ATOM 1238 CB ASP A 77 13.219 25.914 0.977 1.00 0.00 C ATOM 1239 CG ASP A 77 12.553 25.912 -0.399 1.00 0.00 C ATOM 1240 OD1 ASP A 77 11.385 26.254 -0.471 1.00 0.00 O ATOM 1241 OD2 ASP A 77 13.225 25.570 -1.359 1.00 0.00 O ATOM 0 H ASP A 77 15.260 27.231 0.196 1.00 0.00 H new ATOM 0 HA ASP A 77 12.607 27.970 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.148 25.345 0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.573 25.427 1.707 1.00 0.00 H new ATOM 1246 N SER A 78 13.177 28.089 3.698 1.00 0.00 N ATOM 1247 CA SER A 78 13.496 28.142 5.157 1.00 0.00 C ATOM 1248 C SER A 78 13.040 26.843 5.828 1.00 0.00 C ATOM 1249 O SER A 78 12.005 26.301 5.495 1.00 0.00 O ATOM 1250 CB SER A 78 12.759 29.323 5.791 1.00 0.00 C ATOM 1251 OG SER A 78 12.932 29.285 7.202 1.00 0.00 O ATOM 0 H SER A 78 12.366 28.639 3.415 1.00 0.00 H new ATOM 0 HA SER A 78 14.571 28.263 5.291 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.142 30.262 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.699 29.280 5.542 1.00 0.00 H new ATOM 0 HG SER A 78 12.133 28.901 7.619 1.00 0.00 H new ATOM 1257 N ILE A 79 13.788 26.344 6.781 1.00 14.84 N ATOM 1258 CA ILE A 79 13.369 25.085 7.476 1.00 16.24 C ATOM 1259 C ILE A 79 12.900 25.424 8.893 1.00 13.64 C ATOM 1260 O ILE A 79 12.222 24.644 9.532 1.00 15.36 O ATOM 1261 CB ILE A 79 14.547 24.110 7.566 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.820 24.865 7.987 1.00 18.59 C ATOM 1263 CG2 ILE A 79 14.765 23.432 6.211 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.590 24.036 9.021 1.00 20.45 C ATOM 0 H ILE A 79 14.665 26.750 7.107 1.00 14.84 H new ATOM 0 HA ILE A 79 12.561 24.622 6.909 1.00 16.24 H new ATOM 0 HB ILE A 79 14.324 23.348 8.313 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.448 25.054 7.116 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.557 25.836 8.407 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.604 22.740 6.281 1.00 15.93 H new ATOM 0 HG22 ILE A 79 13.866 22.885 5.929 1.00 15.93 H new ATOM 0 HG23 ILE A 79 14.981 24.188 5.456 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.491 24.572 9.318 1.00 20.45 H new ATOM 0 HD12 ILE A 79 15.961 23.870 9.896 1.00 20.45 H new ATOM 0 HD13 ILE A 79 16.866 23.076 8.585 1.00 20.45 H new ATOM 1276 N GLY A 80 13.251 26.584 9.390 1.00 12.42 N ATOM 1277 CA GLY A 80 12.816 26.973 10.767 1.00 13.73 C ATOM 1278 C GLY A 80 14.017 27.449 11.589 1.00 12.94 C ATOM 1279 O GLY A 80 15.027 27.867 11.056 1.00 13.82 O ATOM 0 H GLY A 80 13.819 27.277 8.903 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.069 27.765 10.710 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.343 26.124 11.260 1.00 13.73 H new ATOM 1283 N GLY A 81 13.906 27.393 12.889 1.00 12.24 N ATOM 1284 CA GLY A 81 15.025 27.847 13.765 1.00 10.24 C ATOM 1285 C GLY A 81 15.940 26.670 14.098 1.00 11.98 C ATOM 1286 O GLY A 81 16.133 25.772 13.304 1.00 12.42 O ATOM 0 H GLY A 81 13.083 27.050 13.385 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.594 28.630 13.265 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.627 28.279 14.683 1.00 10.24 H new ATOM 1290 N SER A 82 16.512 26.678 15.269 1.00 0.00 N ATOM 1291 CA SER A 82 17.429 25.574 15.664 1.00 0.00 C ATOM 1292 C SER A 82 16.622 24.311 15.943 1.00 0.00 C ATOM 1293 O SER A 82 16.789 23.296 15.297 1.00 0.00 O ATOM 1294 CB SER A 82 18.203 25.975 16.922 1.00 0.00 C ATOM 1295 OG SER A 82 18.545 24.808 17.658 1.00 0.00 O ATOM 0 H SER A 82 16.383 27.405 15.973 1.00 0.00 H new ATOM 0 HA SER A 82 18.131 25.382 14.852 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.105 26.523 16.648 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.599 26.642 17.537 1.00 0.00 H new ATOM 0 HG SER A 82 19.042 25.063 18.463 1.00 0.00 H new ATOM 1301 N SER A 83 15.748 24.371 16.902 1.00 0.00 N ATOM 1302 CA SER A 83 14.926 23.179 17.236 1.00 0.00 C ATOM 1303 C SER A 83 14.284 22.642 15.960 1.00 0.00 C ATOM 1304 O SER A 83 13.966 21.474 15.854 1.00 0.00 O ATOM 1305 CB SER A 83 13.841 23.578 18.238 1.00 0.00 C ATOM 1306 OG SER A 83 12.992 22.465 18.484 1.00 0.00 O ATOM 0 H SER A 83 15.566 25.197 17.472 1.00 0.00 H new ATOM 0 HA SER A 83 15.554 22.405 17.678 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.297 23.914 19.169 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.260 24.413 17.848 1.00 0.00 H new ATOM 0 HG SER A 83 12.297 22.719 19.127 1.00 0.00 H new ATOM 1312 N ASP A 84 14.106 23.486 14.986 1.00 12.98 N ATOM 1313 CA ASP A 84 13.501 23.031 13.706 1.00 14.53 C ATOM 1314 C ASP A 84 14.540 22.234 12.914 1.00 11.28 C ATOM 1315 O ASP A 84 14.277 21.148 12.440 1.00 12.09 O ATOM 1316 CB ASP A 84 13.054 24.246 12.891 1.00 17.72 C ATOM 1317 CG ASP A 84 11.852 24.907 13.571 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.066 25.686 14.485 1.00 27.06 O ATOM 1319 OD2 ASP A 84 10.737 24.624 13.164 1.00 21.94 O ATOM 0 H ASP A 84 14.354 24.475 15.021 1.00 12.98 H new ATOM 0 HA ASP A 84 12.637 22.400 13.912 1.00 14.53 H new ATOM 0 HB2 ASP A 84 13.873 24.960 12.804 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.789 23.940 11.879 1.00 17.72 H new ATOM 1324 N LEU A 85 15.719 22.772 12.768 1.00 11.34 N ATOM 1325 CA LEU A 85 16.785 22.059 12.006 1.00 11.04 C ATOM 1326 C LEU A 85 16.986 20.651 12.575 1.00 12.09 C ATOM 1327 O LEU A 85 16.854 19.664 11.881 1.00 11.43 O ATOM 1328 CB LEU A 85 18.098 22.838 12.129 1.00 9.45 C ATOM 1329 CG LEU A 85 19.105 22.342 11.078 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.317 23.282 11.035 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.572 20.920 11.428 1.00 15.31 C ATOM 0 H LEU A 85 15.992 23.679 13.145 1.00 11.34 H new ATOM 0 HA LEU A 85 16.487 21.986 10.960 1.00 11.04 H new ATOM 0 HB2 LEU A 85 17.912 23.903 11.992 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.512 22.712 13.129 1.00 9.45 H new ATOM 0 HG LEU A 85 18.620 22.331 10.102 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.027 22.926 10.289 1.00 12.34 H new ATOM 0 HD12 LEU A 85 19.988 24.288 10.772 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.797 23.301 12.013 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.285 20.576 10.679 1.00 15.31 H new ATOM 0 HD22 LEU A 85 20.049 20.925 12.408 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.713 20.249 11.446 1.00 15.31 H new ATOM 1343 N VAL A 86 17.327 20.556 13.830 1.00 0.00 N ATOM 1344 CA VAL A 86 17.566 19.214 14.443 1.00 0.00 C ATOM 1345 C VAL A 86 16.397 18.282 14.142 1.00 0.00 C ATOM 1346 O VAL A 86 16.586 17.183 13.666 1.00 0.00 O ATOM 1347 CB VAL A 86 17.722 19.347 15.966 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.203 19.261 16.352 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.167 20.697 16.419 1.00 0.00 C ATOM 0 H VAL A 86 17.451 21.348 14.460 1.00 0.00 H new ATOM 0 HA VAL A 86 18.480 18.800 14.018 1.00 0.00 H new ATOM 0 HB VAL A 86 17.174 18.538 16.450 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.303 19.356 17.433 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.607 18.300 16.033 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.753 20.066 15.864 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.277 20.792 17.499 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.716 21.500 15.926 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.112 20.764 16.155 1.00 0.00 H new ATOM 1359 N SER A 87 15.193 18.701 14.417 1.00 14.12 N ATOM 1360 CA SER A 87 14.030 17.812 14.146 1.00 14.37 C ATOM 1361 C SER A 87 14.188 17.197 12.753 1.00 13.29 C ATOM 1362 O SER A 87 13.847 16.054 12.523 1.00 11.18 O ATOM 1363 CB SER A 87 12.736 18.632 14.209 1.00 13.30 C ATOM 1364 OG SER A 87 12.372 18.833 15.569 1.00 21.79 O ATOM 0 H SER A 87 14.965 19.613 14.814 1.00 14.12 H new ATOM 0 HA SER A 87 13.986 17.019 14.892 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.876 19.592 13.712 1.00 13.30 H new ATOM 0 HB3 SER A 87 11.937 18.113 13.680 1.00 13.30 H new ATOM 0 HG SER A 87 12.785 19.658 15.900 1.00 21.79 H new ATOM 1370 N LEU A 88 14.705 17.954 11.825 1.00 0.00 N ATOM 1371 CA LEU A 88 14.894 17.433 10.439 1.00 0.00 C ATOM 1372 C LEU A 88 16.144 16.545 10.341 1.00 0.00 C ATOM 1373 O LEU A 88 16.134 15.523 9.683 1.00 0.00 O ATOM 1374 CB LEU A 88 15.028 18.617 9.483 1.00 0.00 C ATOM 1375 CG LEU A 88 13.804 19.523 9.634 1.00 0.00 C ATOM 1376 CD1 LEU A 88 14.030 20.829 8.871 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.562 18.812 9.081 1.00 0.00 C ATOM 0 H LEU A 88 15.007 18.918 11.967 1.00 0.00 H new ATOM 0 HA LEU A 88 14.030 16.824 10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.938 19.175 9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.110 18.263 8.455 1.00 0.00 H new ATOM 0 HG LEU A 88 13.652 19.745 10.690 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.156 21.471 8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.907 21.338 9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.189 20.611 7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.693 19.460 9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.713 18.583 8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.396 17.887 9.633 1.00 0.00 H new ATOM 1389 N GLN A 89 17.227 16.934 10.961 1.00 0.00 N ATOM 1390 CA GLN A 89 18.476 16.120 10.862 1.00 0.00 C ATOM 1391 C GLN A 89 18.217 14.698 11.370 1.00 0.00 C ATOM 1392 O GLN A 89 18.428 13.732 10.664 1.00 0.00 O ATOM 1393 CB GLN A 89 19.581 16.771 11.705 1.00 0.00 C ATOM 1394 CG GLN A 89 20.962 16.329 11.200 1.00 0.00 C ATOM 1395 CD GLN A 89 20.974 14.820 10.947 1.00 0.00 C ATOM 1396 OE1 GLN A 89 20.751 14.039 11.851 1.00 0.00 O ATOM 1397 NE2 GLN A 89 21.224 14.375 9.746 1.00 0.00 N ATOM 0 H GLN A 89 17.302 17.777 11.530 1.00 0.00 H new ATOM 0 HA GLN A 89 18.790 16.075 9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.497 17.856 11.653 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.462 16.492 12.752 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.209 16.861 10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.726 16.588 11.933 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.411 15.031 8.988 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.232 13.371 9.566 1.00 0.00 H new ATOM 1406 N GLN A 90 17.769 14.556 12.585 1.00 0.00 N ATOM 1407 CA GLN A 90 17.510 13.191 13.118 1.00 0.00 C ATOM 1408 C GLN A 90 16.431 12.516 12.277 1.00 0.00 C ATOM 1409 O GLN A 90 16.373 11.308 12.177 1.00 0.00 O ATOM 1410 CB GLN A 90 17.065 13.263 14.589 1.00 0.00 C ATOM 1411 CG GLN A 90 16.849 14.719 15.009 1.00 0.00 C ATOM 1412 CD GLN A 90 16.456 14.767 16.485 1.00 0.00 C ATOM 1413 OE1 GLN A 90 16.034 13.679 17.068 1.00 0.00 O flip ATOM 1414 NE2 GLN A 90 16.536 15.803 17.115 1.00 0.00 N flip ATOM 0 H GLN A 90 17.572 15.322 13.229 1.00 0.00 H new ATOM 0 HA GLN A 90 18.429 12.608 13.066 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.143 12.698 14.725 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.819 12.802 15.227 1.00 0.00 H new ATOM 0 HG2 GLN A 90 17.759 15.296 14.844 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.069 15.174 14.398 1.00 0.00 H new ATOM 0 HE21 GLN A 90 16.866 16.653 16.658 1.00 0.00 H new ATOM 0 HE22 GLN A 90 16.273 15.822 18.100 1.00 0.00 H new ATOM 1423 N SER A 91 15.580 13.288 11.670 1.00 0.00 N ATOM 1424 CA SER A 91 14.507 12.687 10.829 1.00 0.00 C ATOM 1425 C SER A 91 15.071 12.350 9.448 1.00 0.00 C ATOM 1426 O SER A 91 14.536 11.527 8.732 1.00 0.00 O ATOM 1427 CB SER A 91 13.348 13.673 10.686 1.00 0.00 C ATOM 1428 OG SER A 91 12.835 13.984 11.975 1.00 0.00 O ATOM 0 H SER A 91 15.578 14.307 11.718 1.00 0.00 H new ATOM 0 HA SER A 91 14.143 11.776 11.304 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.687 14.581 10.188 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.564 13.242 10.064 1.00 0.00 H new ATOM 0 HG SER A 91 12.881 14.952 12.120 1.00 0.00 H new ATOM 1434 N GLY A 92 16.159 12.965 9.077 1.00 19.34 N ATOM 1435 CA GLY A 92 16.776 12.669 7.750 1.00 19.37 C ATOM 1436 C GLY A 92 16.126 13.518 6.655 1.00 22.29 C ATOM 1437 O GLY A 92 16.582 13.545 5.530 1.00 25.64 O ATOM 0 H GLY A 92 16.650 13.662 9.636 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.847 12.870 7.787 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.659 11.611 7.516 1.00 19.37 H new ATOM 1441 N GLU A 93 15.075 14.218 6.970 1.00 22.54 N ATOM 1442 CA GLU A 93 14.418 15.067 5.941 1.00 24.53 C ATOM 1443 C GLU A 93 15.356 16.228 5.603 1.00 23.48 C ATOM 1444 O GLU A 93 15.297 16.810 4.537 1.00 22.85 O ATOM 1445 CB GLU A 93 13.099 15.609 6.503 1.00 27.50 C ATOM 1446 CG GLU A 93 12.511 16.638 5.538 1.00 36.43 C ATOM 1447 CD GLU A 93 11.020 16.830 5.832 1.00 44.30 C ATOM 1448 OE1 GLU A 93 10.254 15.931 5.524 1.00 42.86 O ATOM 1449 OE2 GLU A 93 10.670 17.873 6.360 1.00 50.26 O ATOM 0 H GLU A 93 14.643 14.239 7.894 1.00 22.54 H new ATOM 0 HA GLU A 93 14.210 14.486 5.042 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.393 14.792 6.652 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.269 16.066 7.478 1.00 27.50 H new ATOM 0 HG2 GLU A 93 13.037 17.588 5.639 1.00 36.43 H new ATOM 0 HG3 GLU A 93 12.649 16.306 4.509 1.00 36.43 H new ATOM 1456 N LEU A 94 16.218 16.562 6.520 1.00 24.17 N ATOM 1457 CA LEU A 94 17.182 17.679 6.299 1.00 22.19 C ATOM 1458 C LEU A 94 18.103 17.378 5.120 1.00 22.62 C ATOM 1459 O LEU A 94 18.075 18.043 4.104 1.00 21.76 O ATOM 1460 CB LEU A 94 18.035 17.851 7.551 1.00 23.15 C ATOM 1461 CG LEU A 94 18.888 19.120 7.432 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.993 20.367 7.477 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.899 19.164 8.587 1.00 21.18 C ATOM 0 H LEU A 94 16.298 16.103 7.427 1.00 24.17 H new ATOM 0 HA LEU A 94 16.619 18.587 6.085 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.395 17.914 8.431 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.678 16.981 7.686 1.00 23.15 H new ATOM 0 HG LEU A 94 19.420 19.105 6.481 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.610 21.261 7.392 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.283 20.336 6.650 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.449 20.391 8.421 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.507 20.065 8.505 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.365 19.172 9.537 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.544 18.286 8.540 1.00 21.18 H new ATOM 1475 N LEU A 95 18.943 16.392 5.264 1.00 0.00 N ATOM 1476 CA LEU A 95 19.894 16.065 4.171 1.00 0.00 C ATOM 1477 C LEU A 95 19.111 15.905 2.879 1.00 0.00 C ATOM 1478 O LEU A 95 19.604 16.159 1.798 1.00 0.00 O ATOM 1479 CB LEU A 95 20.646 14.774 4.529 1.00 0.00 C ATOM 1480 CG LEU A 95 19.922 13.528 3.987 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.354 13.257 2.536 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.282 12.315 4.857 1.00 0.00 C ATOM 0 H LEU A 95 19.011 15.800 6.092 1.00 0.00 H new ATOM 0 HA LEU A 95 20.626 16.862 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.656 14.815 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.743 14.697 5.612 1.00 0.00 H new ATOM 0 HG LEU A 95 18.846 13.699 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.837 12.374 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.102 14.116 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.430 13.089 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.771 11.430 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.359 12.153 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.971 12.500 5.885 1.00 0.00 H new ATOM 1494 N THR A 96 17.883 15.510 2.991 1.00 15.75 N ATOM 1495 CA THR A 96 17.046 15.359 1.773 1.00 17.89 C ATOM 1496 C THR A 96 16.867 16.741 1.144 1.00 14.96 C ATOM 1497 O THR A 96 17.053 16.921 -0.042 1.00 17.84 O ATOM 1498 CB THR A 96 15.679 14.763 2.139 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.736 13.348 2.011 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.593 15.314 1.207 1.00 28.03 C ATOM 0 H THR A 96 17.419 15.284 3.871 1.00 15.75 H new ATOM 0 HA THR A 96 17.531 14.685 1.067 1.00 17.89 H new ATOM 0 HB THR A 96 15.435 15.035 3.166 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.866 12.963 2.245 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.629 14.883 1.477 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.546 16.399 1.304 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.831 15.052 0.176 1.00 28.03 H new ATOM 1508 N ARG A 97 16.514 17.722 1.935 1.00 12.39 N ATOM 1509 CA ARG A 97 16.331 19.090 1.378 1.00 13.82 C ATOM 1510 C ARG A 97 17.651 19.516 0.742 1.00 14.98 C ATOM 1511 O ARG A 97 17.683 20.193 -0.265 1.00 16.48 O ATOM 1512 CB ARG A 97 15.950 20.057 2.509 1.00 18.70 C ATOM 1513 CG ARG A 97 15.213 21.277 1.936 1.00 27.27 C ATOM 1514 CD ARG A 97 13.741 20.931 1.670 1.00 36.05 C ATOM 1515 NE ARG A 97 12.945 22.187 1.564 1.00 38.76 N ATOM 1516 CZ ARG A 97 11.750 22.159 1.040 1.00 40.02 C ATOM 1517 NH1 ARG A 97 11.253 21.033 0.606 1.00 39.86 N ATOM 1518 NH2 ARG A 97 11.052 23.257 0.952 1.00 40.96 N ATOM 0 H ARG A 97 16.346 17.633 2.937 1.00 12.39 H new ATOM 0 HA ARG A 97 15.536 19.101 0.633 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.316 19.548 3.235 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.846 20.380 3.039 1.00 18.70 H new ATOM 0 HG2 ARG A 97 15.277 22.111 2.635 1.00 27.27 H new ATOM 0 HG3 ARG A 97 15.691 21.598 1.011 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.653 20.354 0.750 1.00 36.05 H new ATOM 0 HD3 ARG A 97 13.352 20.308 2.475 1.00 36.05 H new ATOM 0 HE ARG A 97 13.334 23.068 1.901 1.00 38.76 H new ATOM 0 HH11 ARG A 97 11.799 20.174 0.676 1.00 39.86 H new ATOM 0 HH12 ARG A 97 10.319 21.012 0.197 1.00 39.86 H new ATOM 0 HH21 ARG A 97 11.440 24.137 1.293 1.00 40.96 H new ATOM 0 HH22 ARG A 97 10.118 23.236 0.543 1.00 40.96 H new ATOM 1532 N LEU A 98 18.743 19.097 1.314 1.00 12.44 N ATOM 1533 CA LEU A 98 20.070 19.432 0.741 1.00 12.45 C ATOM 1534 C LEU A 98 20.257 18.642 -0.558 1.00 14.25 C ATOM 1535 O LEU A 98 20.798 19.130 -1.530 1.00 12.19 O ATOM 1536 CB LEU A 98 21.161 19.021 1.737 1.00 13.23 C ATOM 1537 CG LEU A 98 21.347 20.103 2.804 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.163 20.086 3.771 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.636 19.826 3.581 1.00 15.05 C ATOM 0 H LEU A 98 18.771 18.531 2.162 1.00 12.44 H new ATOM 0 HA LEU A 98 20.134 20.502 0.542 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.892 18.077 2.211 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.100 18.857 1.209 1.00 13.23 H new ATOM 0 HG LEU A 98 21.405 21.079 2.323 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.301 20.858 4.528 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.241 20.277 3.221 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.102 19.111 4.254 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.774 20.594 4.343 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.570 18.849 4.059 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.484 19.838 2.896 1.00 15.05 H new ATOM 1551 N LYS A 99 19.829 17.409 -0.555 1.00 0.00 N ATOM 1552 CA LYS A 99 19.986 16.536 -1.755 1.00 0.00 C ATOM 1553 C LYS A 99 19.190 17.072 -2.951 1.00 0.00 C ATOM 1554 O LYS A 99 19.730 17.269 -4.022 1.00 0.00 O ATOM 1555 CB LYS A 99 19.491 15.130 -1.411 1.00 0.00 C ATOM 1556 CG LYS A 99 19.894 14.154 -2.520 1.00 0.00 C ATOM 1557 CD LYS A 99 19.261 12.785 -2.253 1.00 0.00 C ATOM 1558 CE LYS A 99 19.379 11.912 -3.505 1.00 0.00 C ATOM 1559 NZ LYS A 99 18.749 10.584 -3.250 1.00 0.00 N ATOM 0 H LYS A 99 19.370 16.963 0.239 1.00 0.00 H new ATOM 0 HA LYS A 99 21.040 16.519 -2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.914 14.808 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.407 15.134 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.569 14.534 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.979 14.062 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.758 12.301 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.213 12.905 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.892 12.401 -4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.428 11.783 -3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.830 9.992 -4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.233 10.117 -2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.745 10.716 -3.014 1.00 0.00 H new ATOM 1573 N GLN A 100 17.908 17.276 -2.799 1.00 18.17 N ATOM 1574 CA GLN A 100 17.094 17.758 -3.955 1.00 18.02 C ATOM 1575 C GLN A 100 17.744 18.980 -4.610 1.00 18.05 C ATOM 1576 O GLN A 100 17.594 19.195 -5.797 1.00 19.19 O ATOM 1577 CB GLN A 100 15.668 18.104 -3.501 1.00 20.45 C ATOM 1578 CG GLN A 100 15.659 18.496 -2.022 1.00 29.25 C ATOM 1579 CD GLN A 100 14.511 19.470 -1.759 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.661 20.665 -1.920 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.360 19.003 -1.360 1.00 38.64 N ATOM 0 H GLN A 100 17.392 17.131 -1.931 1.00 18.17 H new ATOM 0 HA GLN A 100 17.047 16.955 -4.691 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.277 18.924 -4.103 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.011 17.249 -3.661 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.546 17.608 -1.400 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.609 18.956 -1.751 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.236 18.000 -1.225 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.584 19.641 -1.183 1.00 38.64 H new ATOM 1590 N ILE A 101 18.469 19.780 -3.872 1.00 0.00 N ATOM 1591 CA ILE A 101 19.119 20.969 -4.501 1.00 0.00 C ATOM 1592 C ILE A 101 20.595 20.660 -4.746 1.00 0.00 C ATOM 1593 O ILE A 101 21.248 21.295 -5.549 1.00 0.00 O ATOM 1594 CB ILE A 101 19.002 22.187 -3.583 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.656 21.878 -2.237 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.529 22.544 -3.367 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.449 23.059 -1.286 1.00 0.00 C ATOM 0 H ILE A 101 18.638 19.664 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 101 18.621 21.190 -5.445 1.00 0.00 H new ATOM 0 HB ILE A 101 19.508 23.033 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.224 20.973 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.721 21.689 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.457 23.412 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.066 22.774 -4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 101 17.014 21.700 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.915 22.839 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.902 23.954 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.382 23.227 -1.141 1.00 0.00 H new ATOM 1609 N GLY A 102 21.120 19.677 -4.070 1.00 11.15 N ATOM 1610 CA GLY A 102 22.552 19.310 -4.269 1.00 12.21 C ATOM 1611 C GLY A 102 23.452 20.203 -3.414 1.00 14.73 C ATOM 1612 O GLY A 102 24.502 20.635 -3.846 1.00 18.54 O ATOM 0 H GLY A 102 20.619 19.110 -3.386 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.707 18.264 -4.003 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.818 19.414 -5.321 1.00 12.21 H new ATOM 1616 N ALA A 103 23.054 20.484 -2.206 1.00 10.84 N ATOM 1617 CA ALA A 103 23.897 21.350 -1.328 1.00 9.88 C ATOM 1618 C ALA A 103 24.951 20.496 -0.621 1.00 9.21 C ATOM 1619 O ALA A 103 25.895 21.005 -0.052 1.00 7.47 O ATOM 1620 CB ALA A 103 23.016 22.040 -0.283 1.00 4.30 C ATOM 0 H ALA A 103 22.185 20.154 -1.787 1.00 10.84 H new ATOM 0 HA ALA A 103 24.392 22.105 -1.939 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.635 22.671 0.355 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.269 22.654 -0.785 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.516 21.287 0.326 1.00 4.30 H new ATOM 1626 N LEU A 104 24.798 19.202 -0.653 1.00 0.00 N ATOM 1627 CA LEU A 104 25.792 18.311 0.015 1.00 0.00 C ATOM 1628 C LEU A 104 26.836 17.853 -1.004 1.00 0.00 C ATOM 1629 O LEU A 104 26.749 18.155 -2.177 1.00 0.00 O ATOM 1630 CB LEU A 104 25.077 17.093 0.618 1.00 0.00 C ATOM 1631 CG LEU A 104 24.710 16.074 -0.471 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.878 14.948 0.148 1.00 0.00 C ATOM 1633 CD2 LEU A 104 23.889 16.755 -1.569 1.00 0.00 C ATOM 0 H LEU A 104 24.026 18.720 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 104 26.289 18.860 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.720 16.621 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.175 17.417 1.137 1.00 0.00 H new ATOM 0 HG LEU A 104 25.625 15.668 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.616 14.223 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.457 14.454 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.967 15.363 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.633 16.025 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.975 17.165 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.474 17.560 -2.014 1.00 0.00 H new ATOM 1645 N GLN A 105 27.823 17.126 -0.562 1.00 0.00 N ATOM 1646 CA GLN A 105 28.878 16.649 -1.497 1.00 0.00 C ATOM 1647 C GLN A 105 28.358 15.450 -2.294 1.00 0.00 C ATOM 1648 O GLN A 105 28.087 14.429 -1.684 1.00 0.00 O ATOM 1649 CB GLN A 105 30.108 16.230 -0.693 1.00 0.00 C ATOM 1650 CG GLN A 105 30.678 17.447 0.035 1.00 0.00 C ATOM 1651 CD GLN A 105 31.782 17.000 0.996 1.00 0.00 C ATOM 1652 OE1 GLN A 105 32.189 15.855 0.981 1.00 0.00 O ATOM 1653 NE2 GLN A 105 32.285 17.859 1.840 1.00 0.00 N ATOM 1654 OXT GLN A 105 28.237 15.575 -3.502 1.00 0.00 O ATOM 0 H GLN A 105 27.945 16.841 0.410 1.00 0.00 H new ATOM 0 HA GLN A 105 29.143 17.451 -2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.840 15.455 0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.861 15.803 -1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 105 31.077 18.161 -0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 105 29.888 17.957 0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 105 31.944 18.820 1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.019 17.569 2.486 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.402 27.546 19.820 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.160 28.620 18.815 1.00 0.00 C HETATM 1666 C1 GSH A 106 13.827 27.996 17.457 1.00 0.00 C HETATM 1667 O11 GSH A 106 13.067 28.603 16.719 1.00 0.00 O HETATM 1668 O12 GSH A 106 14.341 26.926 17.176 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.422 29.474 18.687 1.00 0.00 C HETATM 1670 CG1 GSH A 106 15.859 29.964 20.075 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.033 31.488 20.084 1.00 0.00 C HETATM 1672 OE1 GSH A 106 16.628 32.065 19.198 1.00 0.00 O HETATM 1673 N2 GSH A 106 15.582 32.131 21.125 1.00 0.00 N HETATM 1674 CA2 GSH A 106 15.896 33.577 21.308 1.00 0.00 C HETATM 1675 C2 GSH A 106 15.293 34.419 20.178 1.00 0.00 C HETATM 1676 O2 GSH A 106 15.358 34.049 19.026 1.00 0.00 O HETATM 1677 CB2 GSH A 106 17.417 33.750 21.320 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.186 32.212 21.893 1.00 0.00 S HETATM 1679 N3 GSH A 106 15.017 35.664 20.471 1.00 0.00 N HETATM 1680 CA3 GSH A 106 14.675 36.643 19.397 1.00 0.00 C HETATM 1681 C3 GSH A 106 14.948 38.063 19.903 1.00 0.00 C HETATM 1682 O31 GSH A 106 15.697 38.197 20.857 1.00 0.00 O HETATM 1683 O32 GSH A 106 14.438 38.996 19.301 1.00 0.00 O HETATM 0 HN12 GSH A 106 14.637 27.791 20.782 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.332 26.566 19.546 1.00 0.00 H new HETATM 0 HG13 GSH A 106 15.117 29.674 20.819 1.00 0.00 H new HETATM 0 HG12 GSH A 106 16.797 29.485 20.356 1.00 0.00 H new HETATM 0 HB23 GSH A 106 17.775 33.999 20.321 1.00 0.00 H new HETATM 0 HB22 GSH A 106 17.696 34.576 21.974 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.221 28.892 18.228 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.232 30.325 18.034 1.00 0.00 H new HETATM 0 HA32 GSH A 106 15.267 36.442 18.504 1.00 0.00 H new HETATM 0 HA31 GSH A 106 13.627 36.540 19.115 1.00 0.00 H new HETATM 0 HN3 GSH A 106 15.036 35.969 21.444 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.013 31.643 21.816 1.00 0.00 H new HETATM 0 HA2 GSH A 106 15.465 33.917 22.250 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.323 29.239 19.137 1.00 0.00 H new