USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 HIS : no HD1:sc= 0.0689 K(o=0.12,f=-0.83) USER MOD Set 1.2: A 10 HIS : no HE2:sc= 0.0498 X(o=0.12,f=-0.01) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.00064) USER MOD Single : A 7 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.018) USER MOD Single : A 8 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.017) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -123:sc= 0.973 USER MOD Single : A 24 ASN : amide:sc= -0.0327 K(o=-0.033,f=-1.6!) USER MOD Single : A 32 SER OG : rot -49:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.644 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -47:sc= 0.872 USER MOD Single : A 46 GLN : amide:sc= -7.37! C(o=-7.4!,f=-12!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 18:sc= 0.435 USER MOD Single : A 57 ASN : amide:sc= -1.64 X(o=-1.6,f=-2.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 CYS SG : rot 53:sc= 0.49 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-3.8!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.248 F(o=-1.8,f=-0.25) USER MOD Single : A 85 TYR OH : rot 154:sc= 2 USER MOD Single : A 88 ASN : amide:sc= -0.0414 K(o=-0.041,f=-1.1) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.101) USER MOD Single : A 109 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0175) USER MOD Single : A 113 GLN : amide:sc= 0.00734 K(o=0.0073,f=-3.8!) USER MOD Single : A 114 LYS NZ :NH3+ -168:sc=-0.00103 (180deg=-0.0487) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 44.053 -24.646 10.464 1.00 21.52 N ATOM 2 CA MET A 1 44.573 -25.650 11.386 1.00 73.11 C ATOM 3 C MET A 1 45.053 -26.885 10.630 1.00 22.14 C ATOM 4 O MET A 1 46.205 -27.297 10.765 1.00 70.13 O ATOM 5 CB MET A 1 43.499 -26.045 12.402 1.00 41.02 C ATOM 6 CG MET A 1 43.499 -25.182 13.653 1.00 45.31 C ATOM 7 SD MET A 1 43.073 -26.111 15.138 1.00 13.21 S ATOM 8 CE MET A 1 41.343 -25.682 15.321 1.00 43.14 C ATOM 0 H1 MET A 1 43.732 -23.815 11.001 1.00 21.52 H new ATOM 0 H2 MET A 1 44.802 -24.362 9.801 1.00 21.52 H new ATOM 0 H3 MET A 1 43.253 -25.044 9.932 1.00 21.52 H new ATOM 0 HA MET A 1 45.422 -25.217 11.915 1.00 73.11 H new ATOM 0 HB2 MET A 1 42.520 -25.981 11.927 1.00 41.02 H new ATOM 0 HB3 MET A 1 43.647 -27.086 12.689 1.00 41.02 H new ATOM 0 HG2 MET A 1 44.484 -24.733 13.780 1.00 45.31 H new ATOM 0 HG3 MET A 1 42.790 -24.364 13.525 1.00 45.31 H new ATOM 0 HE1 MET A 1 40.935 -26.181 16.200 1.00 43.14 H new ATOM 0 HE2 MET A 1 41.246 -24.603 15.439 1.00 43.14 H new ATOM 0 HE3 MET A 1 40.793 -26.000 14.435 1.00 43.14 H new ATOM 18 N ALA A 2 44.163 -27.471 9.837 1.00 70.34 N ATOM 19 CA ALA A 2 44.497 -28.658 9.059 1.00 44.11 C ATOM 20 C ALA A 2 43.565 -28.811 7.862 1.00 12.31 C ATOM 21 O ALA A 2 43.954 -28.558 6.723 1.00 64.11 O ATOM 22 CB ALA A 2 44.439 -29.899 9.938 1.00 41.43 C ATOM 0 H ALA A 2 43.205 -27.143 9.716 1.00 70.34 H new ATOM 0 HA ALA A 2 45.513 -28.540 8.682 1.00 44.11 H new ATOM 0 HB1 ALA A 2 44.691 -30.778 9.344 1.00 41.43 H new ATOM 0 HB2 ALA A 2 45.151 -29.798 10.757 1.00 41.43 H new ATOM 0 HB3 ALA A 2 43.433 -30.011 10.344 1.00 41.43 H new ATOM 28 N GLY A 3 42.330 -29.227 8.129 1.00 43.22 N ATOM 29 CA GLY A 3 41.362 -29.407 7.063 1.00 11.01 C ATOM 30 C GLY A 3 40.337 -28.291 7.016 1.00 31.14 C ATOM 31 O GLY A 3 39.581 -28.093 7.967 1.00 30.35 O ATOM 0 H GLY A 3 41.983 -29.442 9.064 1.00 43.22 H new ATOM 0 HA2 GLY A 3 41.884 -29.457 6.107 1.00 11.01 H new ATOM 0 HA3 GLY A 3 40.851 -30.360 7.198 1.00 11.01 H new ATOM 35 N SER A 4 40.312 -27.559 5.908 1.00 50.44 N ATOM 36 CA SER A 4 39.376 -26.453 5.743 1.00 52.21 C ATOM 37 C SER A 4 38.423 -26.716 4.581 1.00 34.42 C ATOM 38 O SER A 4 38.723 -26.394 3.431 1.00 32.32 O ATOM 39 CB SER A 4 40.135 -25.145 5.508 1.00 35.21 C ATOM 40 OG SER A 4 41.369 -25.382 4.853 1.00 33.13 O ATOM 0 H SER A 4 40.929 -27.711 5.110 1.00 50.44 H new ATOM 0 HA SER A 4 38.790 -26.366 6.658 1.00 52.21 H new ATOM 0 HB2 SER A 4 39.525 -24.470 4.908 1.00 35.21 H new ATOM 0 HB3 SER A 4 40.315 -24.649 6.462 1.00 35.21 H new ATOM 0 HG SER A 4 41.834 -24.531 4.713 1.00 33.13 H new ATOM 46 N HIS A 5 37.271 -27.305 4.890 1.00 4.04 N ATOM 47 CA HIS A 5 36.272 -27.612 3.873 1.00 24.21 C ATOM 48 C HIS A 5 35.591 -26.340 3.379 1.00 13.33 C ATOM 49 O HIS A 5 35.406 -25.387 4.138 1.00 65.40 O ATOM 50 CB HIS A 5 35.229 -28.581 4.429 1.00 15.04 C ATOM 51 CG HIS A 5 34.298 -29.121 3.388 1.00 72.41 C ATOM 52 ND1 HIS A 5 34.734 -29.671 2.201 1.00 41.43 N ATOM 53 CD2 HIS A 5 32.947 -29.196 3.361 1.00 35.53 C ATOM 54 CE1 HIS A 5 33.691 -30.058 1.488 1.00 25.51 C ATOM 55 NE2 HIS A 5 32.595 -29.782 2.170 1.00 34.42 N ATOM 0 H HIS A 5 37.007 -27.579 5.836 1.00 4.04 H new ATOM 0 HA HIS A 5 36.779 -28.081 3.030 1.00 24.21 H new ATOM 0 HB2 HIS A 5 35.740 -29.413 4.914 1.00 15.04 H new ATOM 0 HB3 HIS A 5 34.646 -28.073 5.197 1.00 15.04 H new ATOM 0 HD2 HIS A 5 32.271 -28.858 4.133 1.00 35.53 H new ATOM 0 HE1 HIS A 5 33.729 -30.521 0.513 1.00 25.51 H new ATOM 0 HE2 HIS A 5 31.641 -29.973 1.862 1.00 34.42 H new ATOM 63 N HIS A 6 35.219 -26.330 2.103 1.00 31.31 N ATOM 64 CA HIS A 6 34.558 -25.174 1.508 1.00 74.40 C ATOM 65 C HIS A 6 33.808 -25.571 0.240 1.00 50.44 C ATOM 66 O HIS A 6 34.418 -25.838 -0.796 1.00 72.42 O ATOM 67 CB HIS A 6 35.580 -24.083 1.190 1.00 1.01 C ATOM 68 CG HIS A 6 35.103 -22.701 1.516 1.00 34.44 C ATOM 69 ND1 HIS A 6 35.774 -21.856 2.374 1.00 20.02 N ATOM 70 CD2 HIS A 6 34.014 -22.018 1.093 1.00 35.11 C ATOM 71 CE1 HIS A 6 35.118 -20.713 2.466 1.00 72.22 C ATOM 72 NE2 HIS A 6 34.046 -20.786 1.698 1.00 52.55 N ATOM 0 H HIS A 6 35.364 -27.109 1.461 1.00 31.31 H new ATOM 0 HA HIS A 6 33.838 -24.787 2.229 1.00 74.40 H new ATOM 0 HB2 HIS A 6 36.497 -24.282 1.745 1.00 1.01 H new ATOM 0 HB3 HIS A 6 35.832 -24.131 0.131 1.00 1.01 H new ATOM 0 HD2 HIS A 6 33.260 -22.375 0.407 1.00 35.11 H new ATOM 0 HE1 HIS A 6 35.409 -19.864 3.067 1.00 72.22 H new ATOM 0 HE2 HIS A 6 33.354 -20.047 1.574 1.00 52.55 H new ATOM 80 N HIS A 7 32.482 -25.607 0.328 1.00 1.33 N ATOM 81 CA HIS A 7 31.649 -25.971 -0.812 1.00 42.34 C ATOM 82 C HIS A 7 30.169 -25.831 -0.471 1.00 12.12 C ATOM 83 O HIS A 7 29.644 -26.560 0.371 1.00 31.32 O ATOM 84 CB HIS A 7 31.950 -27.403 -1.254 1.00 33.43 C ATOM 85 CG HIS A 7 32.090 -27.556 -2.737 1.00 23.31 C ATOM 86 ND1 HIS A 7 32.810 -28.576 -3.324 1.00 3.44 N ATOM 87 CD2 HIS A 7 31.597 -26.813 -3.754 1.00 55.44 C ATOM 88 CE1 HIS A 7 32.755 -28.451 -4.638 1.00 32.24 C ATOM 89 NE2 HIS A 7 32.024 -27.389 -4.925 1.00 72.31 N ATOM 0 H HIS A 7 31.961 -25.388 1.178 1.00 1.33 H new ATOM 0 HA HIS A 7 31.880 -25.290 -1.631 1.00 42.34 H new ATOM 0 HB2 HIS A 7 32.870 -27.737 -0.774 1.00 33.43 H new ATOM 0 HB3 HIS A 7 31.152 -28.058 -0.903 1.00 33.43 H new ATOM 0 HD2 HIS A 7 30.982 -25.930 -3.662 1.00 55.44 H new ATOM 0 HE1 HIS A 7 33.227 -29.106 -5.355 1.00 32.24 H new ATOM 0 HE2 HIS A 7 31.811 -27.052 -5.864 1.00 72.31 H new ATOM 97 N HIS A 8 29.501 -24.889 -1.129 1.00 51.20 N ATOM 98 CA HIS A 8 28.081 -24.653 -0.895 1.00 34.43 C ATOM 99 C HIS A 8 27.280 -25.940 -1.073 1.00 0.15 C ATOM 100 O HIS A 8 26.545 -26.355 -0.176 1.00 10.12 O ATOM 101 CB HIS A 8 27.557 -23.577 -1.846 1.00 74.21 C ATOM 102 CG HIS A 8 26.445 -22.757 -1.268 1.00 51.32 C ATOM 103 ND1 HIS A 8 25.952 -21.622 -1.877 1.00 72.14 N ATOM 104 CD2 HIS A 8 25.728 -22.913 -0.130 1.00 45.44 C ATOM 105 CE1 HIS A 8 24.981 -21.115 -1.138 1.00 44.34 C ATOM 106 NE2 HIS A 8 24.826 -21.879 -0.073 1.00 33.52 N ATOM 0 H HIS A 8 29.920 -24.277 -1.829 1.00 51.20 H new ATOM 0 HA HIS A 8 27.960 -24.309 0.132 1.00 34.43 H new ATOM 0 HB2 HIS A 8 28.379 -22.916 -2.122 1.00 74.21 H new ATOM 0 HB3 HIS A 8 27.208 -24.052 -2.763 1.00 74.21 H new ATOM 0 HD2 HIS A 8 25.844 -23.703 0.597 1.00 45.44 H new ATOM 0 HE1 HIS A 8 24.411 -20.227 -1.367 1.00 44.34 H new ATOM 0 HE2 HIS A 8 24.146 -21.726 0.672 1.00 33.52 H new ATOM 114 N HIS A 9 27.427 -26.567 -2.236 1.00 11.35 N ATOM 115 CA HIS A 9 26.717 -27.806 -2.531 1.00 21.31 C ATOM 116 C HIS A 9 27.697 -28.959 -2.732 1.00 52.52 C ATOM 117 O HIS A 9 28.846 -28.749 -3.123 1.00 74.10 O ATOM 118 CB HIS A 9 25.848 -27.637 -3.778 1.00 3.45 C ATOM 119 CG HIS A 9 24.414 -27.334 -3.471 1.00 52.11 C ATOM 120 ND1 HIS A 9 23.405 -28.266 -3.593 1.00 23.55 N ATOM 121 CD2 HIS A 9 23.821 -26.194 -3.044 1.00 60.43 C ATOM 122 CE1 HIS A 9 22.254 -27.713 -3.255 1.00 61.24 C ATOM 123 NE2 HIS A 9 22.479 -26.456 -2.918 1.00 71.11 N ATOM 0 H HIS A 9 28.031 -26.237 -2.989 1.00 11.35 H new ATOM 0 HA HIS A 9 26.077 -28.040 -1.680 1.00 21.31 H new ATOM 0 HB2 HIS A 9 26.258 -26.834 -4.390 1.00 3.45 H new ATOM 0 HB3 HIS A 9 25.899 -28.549 -4.373 1.00 3.45 H new ATOM 0 HD2 HIS A 9 24.312 -25.254 -2.840 1.00 60.43 H new ATOM 0 HE1 HIS A 9 21.293 -28.205 -3.254 1.00 61.24 H new ATOM 0 HE2 HIS A 9 21.771 -25.788 -2.614 1.00 71.11 H new ATOM 131 N HIS A 10 27.235 -30.175 -2.462 1.00 22.51 N ATOM 132 CA HIS A 10 28.071 -31.361 -2.613 1.00 61.23 C ATOM 133 C HIS A 10 27.634 -32.183 -3.822 1.00 64.12 C ATOM 134 O HIS A 10 28.430 -32.455 -4.721 1.00 13.14 O ATOM 135 CB HIS A 10 28.009 -32.219 -1.349 1.00 65.23 C ATOM 136 CG HIS A 10 28.439 -31.494 -0.111 1.00 43.14 C ATOM 137 ND1 HIS A 10 28.081 -31.895 1.158 1.00 0.34 N ATOM 138 CD2 HIS A 10 29.204 -30.388 0.046 1.00 32.14 C ATOM 139 CE1 HIS A 10 28.605 -31.066 2.044 1.00 40.24 C ATOM 140 NE2 HIS A 10 29.292 -30.143 1.395 1.00 55.34 N ATOM 0 H HIS A 10 26.287 -30.366 -2.138 1.00 22.51 H new ATOM 0 HA HIS A 10 29.099 -31.033 -2.770 1.00 61.23 H new ATOM 0 HB2 HIS A 10 26.989 -32.579 -1.214 1.00 65.23 H new ATOM 0 HB3 HIS A 10 28.641 -33.097 -1.484 1.00 65.23 H new ATOM 0 HD1 HIS A 10 27.502 -32.705 1.379 1.00 0.34 H new ATOM 0 HD2 HIS A 10 29.660 -29.807 -0.742 1.00 32.14 H new ATOM 0 HE1 HIS A 10 28.491 -31.132 3.116 1.00 40.24 H new ATOM 148 N GLY A 11 26.364 -32.577 -3.837 1.00 4.22 N ATOM 149 CA GLY A 11 25.845 -33.364 -4.939 1.00 74.52 C ATOM 150 C GLY A 11 26.343 -34.796 -4.915 1.00 44.31 C ATOM 151 O GLY A 11 27.393 -35.104 -5.480 1.00 33.10 O ATOM 0 H GLY A 11 25.686 -32.365 -3.105 1.00 4.22 H new ATOM 0 HA2 GLY A 11 24.756 -33.361 -4.902 1.00 74.52 H new ATOM 0 HA3 GLY A 11 26.133 -32.898 -5.881 1.00 74.52 H new ATOM 155 N SER A 12 25.591 -35.672 -4.258 1.00 34.11 N ATOM 156 CA SER A 12 25.965 -37.078 -4.157 1.00 41.25 C ATOM 157 C SER A 12 24.837 -37.977 -4.653 1.00 32.33 C ATOM 158 O SER A 12 23.745 -37.505 -4.969 1.00 44.03 O ATOM 159 CB SER A 12 26.317 -37.432 -2.711 1.00 42.43 C ATOM 160 OG SER A 12 27.063 -36.394 -2.100 1.00 4.35 O ATOM 0 H SER A 12 24.718 -35.433 -3.787 1.00 34.11 H new ATOM 0 HA SER A 12 26.840 -37.242 -4.786 1.00 41.25 H new ATOM 0 HB2 SER A 12 25.403 -37.610 -2.144 1.00 42.43 H new ATOM 0 HB3 SER A 12 26.891 -38.358 -2.689 1.00 42.43 H new ATOM 0 HG SER A 12 27.274 -36.643 -1.176 1.00 4.35 H new ATOM 166 N MET A 13 25.109 -39.277 -4.717 1.00 2.51 N ATOM 167 CA MET A 13 24.117 -40.243 -5.172 1.00 60.44 C ATOM 168 C MET A 13 23.001 -40.403 -4.144 1.00 44.04 C ATOM 169 O MET A 13 23.145 -41.139 -3.169 1.00 34.45 O ATOM 170 CB MET A 13 24.778 -41.597 -5.439 1.00 71.14 C ATOM 171 CG MET A 13 23.809 -42.659 -5.934 1.00 64.12 C ATOM 172 SD MET A 13 24.174 -43.203 -7.614 1.00 23.40 S ATOM 173 CE MET A 13 22.691 -42.679 -8.470 1.00 11.53 C ATOM 0 H MET A 13 26.008 -39.685 -4.459 1.00 2.51 H new ATOM 0 HA MET A 13 23.682 -39.870 -6.099 1.00 60.44 H new ATOM 0 HB2 MET A 13 25.569 -41.467 -6.177 1.00 71.14 H new ATOM 0 HB3 MET A 13 25.252 -41.948 -4.522 1.00 71.14 H new ATOM 0 HG2 MET A 13 23.843 -43.517 -5.263 1.00 64.12 H new ATOM 0 HG3 MET A 13 22.794 -42.265 -5.896 1.00 64.12 H new ATOM 0 HE1 MET A 13 22.766 -42.946 -9.524 1.00 11.53 H new ATOM 0 HE2 MET A 13 21.824 -43.173 -8.031 1.00 11.53 H new ATOM 0 HE3 MET A 13 22.579 -41.599 -8.377 1.00 11.53 H new ATOM 183 N SER A 14 21.891 -39.708 -4.370 1.00 70.20 N ATOM 184 CA SER A 14 20.753 -39.770 -3.461 1.00 14.02 C ATOM 185 C SER A 14 19.567 -38.990 -4.021 1.00 71.41 C ATOM 186 O SER A 14 19.741 -37.983 -4.706 1.00 2.24 O ATOM 187 CB SER A 14 21.139 -39.216 -2.088 1.00 32.11 C ATOM 188 OG SER A 14 21.715 -37.926 -2.202 1.00 30.50 O ATOM 0 H SER A 14 21.756 -39.096 -5.174 1.00 70.20 H new ATOM 0 HA SER A 14 20.461 -40.815 -3.355 1.00 14.02 H new ATOM 0 HB2 SER A 14 20.256 -39.168 -1.450 1.00 32.11 H new ATOM 0 HB3 SER A 14 21.845 -39.892 -1.605 1.00 32.11 H new ATOM 0 HG SER A 14 21.951 -37.593 -1.311 1.00 30.50 H new ATOM 194 N GLU A 15 18.361 -39.465 -3.725 1.00 21.33 N ATOM 195 CA GLU A 15 17.146 -38.814 -4.200 1.00 2.45 C ATOM 196 C GLU A 15 16.390 -38.164 -3.044 1.00 41.11 C ATOM 197 O GLU A 15 16.889 -38.099 -1.920 1.00 52.12 O ATOM 198 CB GLU A 15 16.243 -39.824 -4.910 1.00 43.13 C ATOM 199 CG GLU A 15 15.937 -39.457 -6.353 1.00 23.52 C ATOM 200 CD GLU A 15 16.932 -40.053 -7.330 1.00 24.14 C ATOM 201 OE1 GLU A 15 16.637 -40.065 -8.543 1.00 72.51 O ATOM 202 OE2 GLU A 15 18.006 -40.507 -6.881 1.00 52.14 O ATOM 0 H GLU A 15 18.200 -40.298 -3.159 1.00 21.33 H new ATOM 0 HA GLU A 15 17.434 -38.036 -4.907 1.00 2.45 H new ATOM 0 HB2 GLU A 15 16.719 -40.804 -4.886 1.00 43.13 H new ATOM 0 HB3 GLU A 15 15.306 -39.911 -4.360 1.00 43.13 H new ATOM 0 HG2 GLU A 15 14.934 -39.801 -6.607 1.00 23.52 H new ATOM 0 HG3 GLU A 15 15.938 -38.372 -6.456 1.00 23.52 H new ATOM 209 N TYR A 16 15.185 -37.684 -3.329 1.00 72.13 N ATOM 210 CA TYR A 16 14.360 -37.037 -2.316 1.00 5.33 C ATOM 211 C TYR A 16 12.931 -37.569 -2.355 1.00 2.25 C ATOM 212 O TYR A 16 12.603 -38.441 -3.160 1.00 4.30 O ATOM 213 CB TYR A 16 14.358 -35.521 -2.522 1.00 70.12 C ATOM 214 CG TYR A 16 14.301 -35.108 -3.976 1.00 21.14 C ATOM 215 CD1 TYR A 16 15.439 -34.661 -4.636 1.00 0.41 C ATOM 216 CD2 TYR A 16 13.110 -35.164 -4.688 1.00 71.23 C ATOM 217 CE1 TYR A 16 15.392 -34.282 -5.964 1.00 11.55 C ATOM 218 CE2 TYR A 16 13.054 -34.789 -6.016 1.00 53.45 C ATOM 219 CZ TYR A 16 14.197 -34.348 -6.650 1.00 1.24 C ATOM 220 OH TYR A 16 14.145 -33.971 -7.972 1.00 60.31 O ATOM 0 H TYR A 16 14.757 -37.731 -4.254 1.00 72.13 H new ATOM 0 HA TYR A 16 14.786 -37.264 -1.338 1.00 5.33 H new ATOM 0 HB2 TYR A 16 13.504 -35.093 -1.997 1.00 70.12 H new ATOM 0 HB3 TYR A 16 15.255 -35.100 -2.068 1.00 70.12 H new ATOM 0 HD1 TYR A 16 16.376 -34.609 -4.102 1.00 0.41 H new ATOM 0 HD2 TYR A 16 12.212 -35.507 -4.195 1.00 71.23 H new ATOM 0 HE1 TYR A 16 16.286 -33.936 -6.462 1.00 11.55 H new ATOM 0 HE2 TYR A 16 12.120 -34.841 -6.556 1.00 53.45 H new ATOM 0 HH TYR A 16 13.230 -34.079 -8.307 1.00 60.31 H new ATOM 230 N ILE A 17 12.085 -37.037 -1.479 1.00 20.11 N ATOM 231 CA ILE A 17 10.691 -37.456 -1.413 1.00 75.44 C ATOM 232 C ILE A 17 9.751 -36.272 -1.608 1.00 55.44 C ATOM 233 O ILE A 17 9.849 -35.266 -0.905 1.00 34.01 O ATOM 234 CB ILE A 17 10.370 -38.136 -0.069 1.00 74.12 C ATOM 235 CG1 ILE A 17 8.856 -38.247 0.122 1.00 34.33 C ATOM 236 CG2 ILE A 17 10.999 -37.362 1.079 1.00 12.14 C ATOM 237 CD1 ILE A 17 8.458 -39.025 1.357 1.00 23.12 C ATOM 0 H ILE A 17 12.341 -36.315 -0.805 1.00 20.11 H new ATOM 0 HA ILE A 17 10.539 -38.174 -2.219 1.00 75.44 H new ATOM 0 HB ILE A 17 10.791 -39.141 -0.077 1.00 74.12 H new ATOM 0 HG12 ILE A 17 8.431 -37.245 0.181 1.00 34.33 H new ATOM 0 HG13 ILE A 17 8.421 -38.726 -0.755 1.00 34.33 H new ATOM 0 HG21 ILE A 17 10.763 -37.855 2.022 1.00 12.14 H new ATOM 0 HG22 ILE A 17 12.080 -37.330 0.947 1.00 12.14 H new ATOM 0 HG23 ILE A 17 10.605 -36.346 1.092 1.00 12.14 H new ATOM 0 HD11 ILE A 17 7.371 -39.063 1.428 1.00 23.12 H new ATOM 0 HD12 ILE A 17 8.853 -40.039 1.291 1.00 23.12 H new ATOM 0 HD13 ILE A 17 8.863 -38.534 2.242 1.00 23.12 H new ATOM 249 N ARG A 18 8.839 -36.398 -2.567 1.00 33.21 N ATOM 250 CA ARG A 18 7.880 -35.338 -2.854 1.00 71.22 C ATOM 251 C ARG A 18 6.452 -35.814 -2.604 1.00 31.10 C ATOM 252 O ARG A 18 5.894 -36.578 -3.392 1.00 12.12 O ATOM 253 CB ARG A 18 8.026 -34.868 -4.303 1.00 32.33 C ATOM 254 CG ARG A 18 8.710 -33.518 -4.439 1.00 15.40 C ATOM 255 CD ARG A 18 7.875 -32.552 -5.265 1.00 50.43 C ATOM 256 NE ARG A 18 8.149 -32.676 -6.694 1.00 51.34 N ATOM 257 CZ ARG A 18 7.692 -31.826 -7.607 1.00 14.31 C ATOM 258 NH1 ARG A 18 6.942 -30.795 -7.241 1.00 3.11 N ATOM 259 NH2 ARG A 18 7.984 -32.006 -8.889 1.00 0.44 N ATOM 0 H ARG A 18 8.744 -37.224 -3.158 1.00 33.21 H new ATOM 0 HA ARG A 18 8.088 -34.503 -2.185 1.00 71.22 H new ATOM 0 HB2 ARG A 18 8.594 -35.612 -4.862 1.00 32.33 H new ATOM 0 HB3 ARG A 18 7.038 -34.813 -4.760 1.00 32.33 H new ATOM 0 HG2 ARG A 18 8.884 -33.096 -3.449 1.00 15.40 H new ATOM 0 HG3 ARG A 18 9.686 -33.649 -4.906 1.00 15.40 H new ATOM 0 HD2 ARG A 18 6.817 -32.739 -5.081 1.00 50.43 H new ATOM 0 HD3 ARG A 18 8.079 -31.530 -4.944 1.00 50.43 H new ATOM 0 HE ARG A 18 8.723 -33.458 -7.008 1.00 51.34 H new ATOM 0 HH11 ARG A 18 6.715 -30.653 -6.257 1.00 3.11 H new ATOM 0 HH12 ARG A 18 6.592 -30.144 -7.944 1.00 3.11 H new ATOM 0 HH21 ARG A 18 8.560 -32.798 -9.175 1.00 0.44 H new ATOM 0 HH22 ARG A 18 7.632 -31.353 -9.589 1.00 0.44 H new ATOM 273 N VAL A 19 5.866 -35.358 -1.501 1.00 41.24 N ATOM 274 CA VAL A 19 4.503 -35.736 -1.147 1.00 63.12 C ATOM 275 C VAL A 19 3.805 -34.620 -0.379 1.00 2.32 C ATOM 276 O VAL A 19 4.443 -33.856 0.347 1.00 64.31 O ATOM 277 CB VAL A 19 4.480 -37.021 -0.298 1.00 62.02 C ATOM 278 CG1 VAL A 19 4.776 -38.238 -1.162 1.00 53.51 C ATOM 279 CG2 VAL A 19 5.473 -36.918 0.850 1.00 70.41 C ATOM 0 H VAL A 19 6.314 -34.726 -0.837 1.00 41.24 H new ATOM 0 HA VAL A 19 3.972 -35.917 -2.081 1.00 63.12 H new ATOM 0 HB VAL A 19 3.482 -37.139 0.124 1.00 62.02 H new ATOM 0 HG11 VAL A 19 4.755 -39.136 -0.545 1.00 53.51 H new ATOM 0 HG12 VAL A 19 4.023 -38.319 -1.946 1.00 53.51 H new ATOM 0 HG13 VAL A 19 5.762 -38.132 -1.615 1.00 53.51 H new ATOM 0 HG21 VAL A 19 5.444 -37.834 1.440 1.00 70.41 H new ATOM 0 HG22 VAL A 19 6.477 -36.775 0.451 1.00 70.41 H new ATOM 0 HG23 VAL A 19 5.210 -36.071 1.483 1.00 70.41 H new ATOM 289 N THR A 20 2.489 -34.529 -0.542 1.00 71.53 N ATOM 290 CA THR A 20 1.703 -33.506 0.135 1.00 31.10 C ATOM 291 C THR A 20 0.683 -34.132 1.080 1.00 5.41 C ATOM 292 O THR A 20 0.192 -35.233 0.836 1.00 50.11 O ATOM 293 CB THR A 20 0.966 -32.605 -0.873 1.00 52.34 C ATOM 294 OG1 THR A 20 -0.126 -31.940 -0.229 1.00 14.31 O ATOM 295 CG2 THR A 20 0.448 -33.419 -2.049 1.00 75.11 C ATOM 0 H THR A 20 1.945 -35.153 -1.138 1.00 71.53 H new ATOM 0 HA THR A 20 2.403 -32.899 0.710 1.00 31.10 H new ATOM 0 HB THR A 20 1.672 -31.864 -1.248 1.00 52.34 H new ATOM 0 HG1 THR A 20 -0.959 -32.145 -0.703 1.00 14.31 H new ATOM 0 HG21 THR A 20 -0.069 -32.761 -2.747 1.00 75.11 H new ATOM 0 HG22 THR A 20 1.285 -33.900 -2.555 1.00 75.11 H new ATOM 0 HG23 THR A 20 -0.244 -34.180 -1.688 1.00 75.11 H new ATOM 303 N GLU A 21 0.370 -33.421 2.159 1.00 31.33 N ATOM 304 CA GLU A 21 -0.592 -33.909 3.141 1.00 41.22 C ATOM 305 C GLU A 21 -2.013 -33.849 2.587 1.00 44.51 C ATOM 306 O GLU A 21 -2.757 -34.827 2.651 1.00 52.21 O ATOM 307 CB GLU A 21 -0.500 -33.088 4.429 1.00 21.21 C ATOM 308 CG GLU A 21 -1.183 -33.743 5.618 1.00 62.11 C ATOM 309 CD GLU A 21 -2.225 -32.847 6.258 1.00 35.20 C ATOM 310 OE1 GLU A 21 -1.878 -31.707 6.632 1.00 32.43 O ATOM 311 OE2 GLU A 21 -3.388 -33.285 6.385 1.00 62.40 O ATOM 0 H GLU A 21 0.768 -32.507 2.375 1.00 31.33 H new ATOM 0 HA GLU A 21 -0.351 -34.949 3.363 1.00 41.22 H new ATOM 0 HB2 GLU A 21 0.550 -32.922 4.670 1.00 21.21 H new ATOM 0 HB3 GLU A 21 -0.947 -32.108 4.258 1.00 21.21 H new ATOM 0 HG2 GLU A 21 -1.656 -34.671 5.295 1.00 62.11 H new ATOM 0 HG3 GLU A 21 -0.432 -34.010 6.362 1.00 62.11 H new ATOM 318 N ASP A 22 -2.381 -32.693 2.044 1.00 21.42 N ATOM 319 CA ASP A 22 -3.712 -32.504 1.478 1.00 24.33 C ATOM 320 C ASP A 22 -3.674 -32.605 -0.043 1.00 53.24 C ATOM 321 O ASP A 22 -2.604 -32.577 -0.650 1.00 52.52 O ATOM 322 CB ASP A 22 -4.280 -31.148 1.899 1.00 42.15 C ATOM 323 CG ASP A 22 -4.012 -30.835 3.358 1.00 52.04 C ATOM 324 OD1 ASP A 22 -4.918 -31.057 4.188 1.00 14.52 O ATOM 325 OD2 ASP A 22 -2.896 -30.369 3.669 1.00 33.41 O ATOM 0 H ASP A 22 -1.777 -31.873 1.984 1.00 21.42 H new ATOM 0 HA ASP A 22 -4.359 -33.294 1.860 1.00 24.33 H new ATOM 0 HB2 ASP A 22 -3.844 -30.366 1.277 1.00 42.15 H new ATOM 0 HB3 ASP A 22 -5.355 -31.136 1.720 1.00 42.15 H new ATOM 330 N GLU A 23 -4.850 -32.723 -0.653 1.00 21.13 N ATOM 331 CA GLU A 23 -4.950 -32.830 -2.104 1.00 13.25 C ATOM 332 C GLU A 23 -4.851 -31.455 -2.758 1.00 72.03 C ATOM 333 O GLU A 23 -4.284 -31.311 -3.841 1.00 15.14 O ATOM 334 CB GLU A 23 -6.268 -33.501 -2.498 1.00 3.22 C ATOM 335 CG GLU A 23 -6.612 -34.712 -1.648 1.00 32.14 C ATOM 336 CD GLU A 23 -7.954 -35.317 -2.011 1.00 34.13 C ATOM 337 OE1 GLU A 23 -8.204 -36.479 -1.627 1.00 30.03 O ATOM 338 OE2 GLU A 23 -8.755 -34.629 -2.678 1.00 64.55 O ATOM 0 H GLU A 23 -5.746 -32.747 -0.165 1.00 21.13 H new ATOM 0 HA GLU A 23 -4.120 -33.442 -2.457 1.00 13.25 H new ATOM 0 HB2 GLU A 23 -7.075 -32.772 -2.420 1.00 3.22 H new ATOM 0 HB3 GLU A 23 -6.213 -33.805 -3.543 1.00 3.22 H new ATOM 0 HG2 GLU A 23 -5.834 -35.466 -1.765 1.00 32.14 H new ATOM 0 HG3 GLU A 23 -6.620 -34.423 -0.597 1.00 32.14 H new ATOM 345 N ASN A 24 -5.408 -30.448 -2.093 1.00 45.21 N ATOM 346 CA ASN A 24 -5.383 -29.084 -2.610 1.00 73.33 C ATOM 347 C ASN A 24 -4.010 -28.451 -2.411 1.00 24.25 C ATOM 348 O ASN A 24 -3.604 -27.572 -3.170 1.00 43.34 O ATOM 349 CB ASN A 24 -6.453 -28.236 -1.920 1.00 55.04 C ATOM 350 CG ASN A 24 -7.853 -28.567 -2.402 1.00 21.44 C ATOM 351 OD1 ASN A 24 -8.029 -29.224 -3.428 1.00 52.22 O ATOM 352 ND2 ASN A 24 -8.856 -28.113 -1.660 1.00 35.20 N ATOM 0 H ASN A 24 -5.882 -30.550 -1.196 1.00 45.21 H new ATOM 0 HA ASN A 24 -5.593 -29.123 -3.679 1.00 73.33 H new ATOM 0 HB2 ASN A 24 -6.397 -28.391 -0.843 1.00 55.04 H new ATOM 0 HB3 ASN A 24 -6.249 -27.181 -2.101 1.00 55.04 H new ATOM 0 HD21 ASN A 24 -9.820 -28.305 -1.933 1.00 35.20 H new ATOM 0 HD22 ASN A 24 -8.663 -27.572 -0.817 1.00 35.20 H new ATOM 359 N ASP A 25 -3.299 -28.905 -1.384 1.00 0.20 N ATOM 360 CA ASP A 25 -1.970 -28.384 -1.085 1.00 21.53 C ATOM 361 C ASP A 25 -0.959 -28.843 -2.131 1.00 4.13 C ATOM 362 O ASP A 25 -1.189 -29.819 -2.843 1.00 65.33 O ATOM 363 CB ASP A 25 -1.523 -28.836 0.307 1.00 75.23 C ATOM 364 CG ASP A 25 -0.339 -28.042 0.821 1.00 62.12 C ATOM 365 OD1 ASP A 25 0.569 -28.653 1.423 1.00 63.04 O ATOM 366 OD2 ASP A 25 -0.319 -26.810 0.621 1.00 52.25 O ATOM 0 H ASP A 25 -3.621 -29.632 -0.745 1.00 0.20 H new ATOM 0 HA ASP A 25 -2.020 -27.295 -1.107 1.00 21.53 H new ATOM 0 HB2 ASP A 25 -2.355 -28.734 1.004 1.00 75.23 H new ATOM 0 HB3 ASP A 25 -1.261 -29.894 0.276 1.00 75.23 H new ATOM 371 N GLU A 26 0.160 -28.130 -2.217 1.00 24.30 N ATOM 372 CA GLU A 26 1.205 -28.464 -3.178 1.00 4.23 C ATOM 373 C GLU A 26 2.139 -29.532 -2.617 1.00 22.52 C ATOM 374 O GLU A 26 2.320 -29.661 -1.406 1.00 4.12 O ATOM 375 CB GLU A 26 2.007 -27.214 -3.548 1.00 13.24 C ATOM 376 CG GLU A 26 1.643 -26.638 -4.906 1.00 2.53 C ATOM 377 CD GLU A 26 2.376 -25.344 -5.205 1.00 75.05 C ATOM 378 OE1 GLU A 26 3.459 -25.128 -4.623 1.00 11.31 O ATOM 379 OE2 GLU A 26 1.866 -24.548 -6.022 1.00 32.42 O ATOM 0 H GLU A 26 0.366 -27.319 -1.634 1.00 24.30 H new ATOM 0 HA GLU A 26 0.726 -28.859 -4.074 1.00 4.23 H new ATOM 0 HB2 GLU A 26 1.849 -26.452 -2.785 1.00 13.24 H new ATOM 0 HB3 GLU A 26 3.069 -27.458 -3.539 1.00 13.24 H new ATOM 0 HG2 GLU A 26 1.873 -27.369 -5.681 1.00 2.53 H new ATOM 0 HG3 GLU A 26 0.568 -26.460 -4.945 1.00 2.53 H new ATOM 386 N PRO A 27 2.746 -30.319 -3.518 1.00 24.02 N ATOM 387 CA PRO A 27 3.672 -31.391 -3.137 1.00 55.43 C ATOM 388 C PRO A 27 4.984 -30.852 -2.578 1.00 12.01 C ATOM 389 O PRO A 27 5.839 -30.377 -3.325 1.00 43.33 O ATOM 390 CB PRO A 27 3.916 -32.132 -4.454 1.00 31.32 C ATOM 391 CG PRO A 27 3.660 -31.117 -5.514 1.00 30.23 C ATOM 392 CD PRO A 27 2.577 -30.222 -4.977 1.00 71.54 C ATOM 0 HA PRO A 27 3.264 -32.021 -2.346 1.00 55.43 H new ATOM 0 HB2 PRO A 27 4.935 -32.514 -4.510 1.00 31.32 H new ATOM 0 HB3 PRO A 27 3.249 -32.988 -4.556 1.00 31.32 H new ATOM 0 HG2 PRO A 27 4.563 -30.548 -5.735 1.00 30.23 H new ATOM 0 HG3 PRO A 27 3.348 -31.593 -6.443 1.00 30.23 H new ATOM 0 HD2 PRO A 27 2.693 -29.196 -5.328 1.00 71.54 H new ATOM 0 HD3 PRO A 27 1.588 -30.556 -5.290 1.00 71.54 H new ATOM 400 N ILE A 28 5.136 -30.930 -1.260 1.00 41.22 N ATOM 401 CA ILE A 28 6.345 -30.451 -0.602 1.00 23.31 C ATOM 402 C ILE A 28 7.504 -31.421 -0.809 1.00 1.25 C ATOM 403 O ILE A 28 7.364 -32.625 -0.595 1.00 50.54 O ATOM 404 CB ILE A 28 6.122 -30.250 0.909 1.00 61.34 C ATOM 405 CG1 ILE A 28 7.431 -29.845 1.590 1.00 14.02 C ATOM 406 CG2 ILE A 28 5.563 -31.519 1.535 1.00 62.21 C ATOM 407 CD1 ILE A 28 8.044 -28.585 1.020 1.00 33.03 C ATOM 0 H ILE A 28 4.437 -31.320 -0.627 1.00 41.22 H new ATOM 0 HA ILE A 28 6.592 -29.491 -1.055 1.00 23.31 H new ATOM 0 HB ILE A 28 5.397 -29.448 1.051 1.00 61.34 H new ATOM 0 HG12 ILE A 28 7.248 -29.701 2.655 1.00 14.02 H new ATOM 0 HG13 ILE A 28 8.147 -30.662 1.498 1.00 14.02 H new ATOM 0 HG21 ILE A 28 5.411 -31.361 2.603 1.00 62.21 H new ATOM 0 HG22 ILE A 28 4.611 -31.768 1.066 1.00 62.21 H new ATOM 0 HG23 ILE A 28 6.266 -32.339 1.386 1.00 62.21 H new ATOM 0 HD11 ILE A 28 8.969 -28.358 1.550 1.00 33.03 H new ATOM 0 HD12 ILE A 28 8.259 -28.732 -0.038 1.00 33.03 H new ATOM 0 HD13 ILE A 28 7.346 -27.756 1.137 1.00 33.03 H new ATOM 419 N GLU A 29 8.649 -30.887 -1.223 1.00 53.23 N ATOM 420 CA GLU A 29 9.832 -31.706 -1.457 1.00 43.45 C ATOM 421 C GLU A 29 10.771 -31.661 -0.255 1.00 62.13 C ATOM 422 O GLU A 29 11.170 -30.586 0.194 1.00 21.44 O ATOM 423 CB GLU A 29 10.569 -31.230 -2.712 1.00 12.05 C ATOM 424 CG GLU A 29 10.944 -29.758 -2.675 1.00 62.14 C ATOM 425 CD GLU A 29 11.661 -29.308 -3.933 1.00 45.13 C ATOM 426 OE1 GLU A 29 12.830 -29.706 -4.124 1.00 1.44 O ATOM 427 OE2 GLU A 29 11.055 -28.558 -4.727 1.00 22.42 O ATOM 0 H GLU A 29 8.782 -29.892 -1.403 1.00 53.23 H new ATOM 0 HA GLU A 29 9.507 -32.736 -1.604 1.00 43.45 H new ATOM 0 HB2 GLU A 29 11.474 -31.824 -2.839 1.00 12.05 H new ATOM 0 HB3 GLU A 29 9.941 -31.415 -3.584 1.00 12.05 H new ATOM 0 HG2 GLU A 29 10.042 -29.160 -2.541 1.00 62.14 H new ATOM 0 HG3 GLU A 29 11.582 -29.571 -1.811 1.00 62.14 H new ATOM 434 N ILE A 30 11.119 -32.835 0.260 1.00 61.41 N ATOM 435 CA ILE A 30 12.011 -32.931 1.409 1.00 52.11 C ATOM 436 C ILE A 30 13.174 -33.875 1.125 1.00 42.01 C ATOM 437 O ILE A 30 13.095 -34.759 0.271 1.00 12.34 O ATOM 438 CB ILE A 30 11.262 -33.419 2.663 1.00 25.43 C ATOM 439 CG1 ILE A 30 10.038 -34.245 2.264 1.00 60.41 C ATOM 440 CG2 ILE A 30 10.852 -32.237 3.529 1.00 75.54 C ATOM 441 CD1 ILE A 30 9.667 -35.305 3.278 1.00 65.34 C ATOM 0 H ILE A 30 10.797 -33.733 -0.100 1.00 61.41 H new ATOM 0 HA ILE A 30 12.397 -31.929 1.594 1.00 52.11 H new ATOM 0 HB ILE A 30 11.931 -34.054 3.243 1.00 25.43 H new ATOM 0 HG12 ILE A 30 9.189 -33.576 2.122 1.00 60.41 H new ATOM 0 HG13 ILE A 30 10.230 -34.724 1.304 1.00 60.41 H new ATOM 0 HG21 ILE A 30 10.324 -32.598 4.411 1.00 75.54 H new ATOM 0 HG22 ILE A 30 11.741 -31.687 3.838 1.00 75.54 H new ATOM 0 HG23 ILE A 30 10.197 -31.578 2.959 1.00 75.54 H new ATOM 0 HD11 ILE A 30 8.791 -35.851 2.929 1.00 65.34 H new ATOM 0 HD12 ILE A 30 10.500 -35.997 3.403 1.00 65.34 H new ATOM 0 HD13 ILE A 30 9.443 -34.832 4.234 1.00 65.34 H new ATOM 453 N PRO A 31 14.282 -33.687 1.858 1.00 55.40 N ATOM 454 CA PRO A 31 15.482 -34.513 1.705 1.00 64.22 C ATOM 455 C PRO A 31 15.274 -35.938 2.208 1.00 53.44 C ATOM 456 O PRO A 31 14.567 -36.162 3.190 1.00 54.20 O ATOM 457 CB PRO A 31 16.523 -33.790 2.564 1.00 72.03 C ATOM 458 CG PRO A 31 15.725 -33.047 3.579 1.00 42.41 C ATOM 459 CD PRO A 31 14.446 -32.652 2.893 1.00 24.42 C ATOM 0 HA PRO A 31 15.772 -34.620 0.660 1.00 64.22 H new ATOM 0 HB2 PRO A 31 17.206 -34.496 3.036 1.00 72.03 H new ATOM 0 HB3 PRO A 31 17.130 -33.112 1.964 1.00 72.03 H new ATOM 0 HG2 PRO A 31 15.524 -33.671 4.450 1.00 42.41 H new ATOM 0 HG3 PRO A 31 16.265 -32.169 3.933 1.00 42.41 H new ATOM 0 HD2 PRO A 31 13.605 -32.640 3.586 1.00 24.42 H new ATOM 0 HD3 PRO A 31 14.515 -31.655 2.458 1.00 24.42 H new ATOM 467 N SER A 32 15.894 -36.897 1.528 1.00 12.01 N ATOM 468 CA SER A 32 15.773 -38.301 1.904 1.00 11.44 C ATOM 469 C SER A 32 17.147 -38.954 2.013 1.00 23.14 C ATOM 470 O SER A 32 18.101 -38.529 1.363 1.00 3.52 O ATOM 471 CB SER A 32 14.918 -39.053 0.883 1.00 53.42 C ATOM 472 OG SER A 32 15.721 -39.608 -0.144 1.00 74.22 O ATOM 0 H SER A 32 16.485 -36.728 0.714 1.00 12.01 H new ATOM 0 HA SER A 32 15.288 -38.350 2.879 1.00 11.44 H new ATOM 0 HB2 SER A 32 14.362 -39.846 1.383 1.00 53.42 H new ATOM 0 HB3 SER A 32 14.184 -38.374 0.448 1.00 53.42 H new ATOM 0 HG SER A 32 16.326 -38.921 -0.493 1.00 74.22 H new ATOM 478 N GLU A 33 17.239 -39.991 2.841 1.00 52.25 N ATOM 479 CA GLU A 33 18.496 -40.703 3.036 1.00 43.34 C ATOM 480 C GLU A 33 19.043 -41.215 1.706 1.00 22.44 C ATOM 481 O GLU A 33 18.310 -41.328 0.723 1.00 5.44 O ATOM 482 CB GLU A 33 18.302 -41.871 4.004 1.00 34.12 C ATOM 483 CG GLU A 33 18.800 -41.585 5.411 1.00 72.11 C ATOM 484 CD GLU A 33 19.146 -42.848 6.175 1.00 32.23 C ATOM 485 OE1 GLU A 33 18.245 -43.405 6.838 1.00 64.43 O ATOM 486 OE2 GLU A 33 20.316 -43.279 6.112 1.00 71.13 O ATOM 0 H GLU A 33 16.458 -40.356 3.387 1.00 52.25 H new ATOM 0 HA GLU A 33 19.217 -40.005 3.461 1.00 43.34 H new ATOM 0 HB2 GLU A 33 17.243 -42.124 4.047 1.00 34.12 H new ATOM 0 HB3 GLU A 33 18.823 -42.745 3.614 1.00 34.12 H new ATOM 0 HG2 GLU A 33 19.680 -40.944 5.358 1.00 72.11 H new ATOM 0 HG3 GLU A 33 18.036 -41.032 5.957 1.00 72.11 H new ATOM 493 N ASP A 34 20.335 -41.524 1.685 1.00 71.42 N ATOM 494 CA ASP A 34 20.981 -42.026 0.477 1.00 1.44 C ATOM 495 C ASP A 34 20.415 -43.386 0.083 1.00 54.04 C ATOM 496 O ASP A 34 20.289 -43.697 -1.102 1.00 32.01 O ATOM 497 CB ASP A 34 22.492 -42.130 0.688 1.00 64.30 C ATOM 498 CG ASP A 34 22.856 -43.077 1.815 1.00 72.33 C ATOM 499 OD1 ASP A 34 22.776 -42.661 2.989 1.00 5.54 O ATOM 500 OD2 ASP A 34 23.219 -44.236 1.522 1.00 54.42 O ATOM 0 H ASP A 34 20.955 -41.436 2.490 1.00 71.42 H new ATOM 0 HA ASP A 34 20.782 -41.322 -0.331 1.00 1.44 H new ATOM 0 HB2 ASP A 34 22.962 -42.470 -0.235 1.00 64.30 H new ATOM 0 HB3 ASP A 34 22.895 -41.140 0.905 1.00 64.30 H new ATOM 505 N ASP A 35 20.076 -44.193 1.082 1.00 12.53 N ATOM 506 CA ASP A 35 19.523 -45.520 0.840 1.00 53.12 C ATOM 507 C ASP A 35 18.188 -45.427 0.107 1.00 11.11 C ATOM 508 O ASP A 35 17.734 -46.394 -0.503 1.00 21.34 O ATOM 509 CB ASP A 35 19.342 -46.270 2.161 1.00 43.33 C ATOM 510 CG ASP A 35 19.844 -47.698 2.089 1.00 63.43 C ATOM 511 OD1 ASP A 35 19.287 -48.484 1.293 1.00 2.03 O ATOM 512 OD2 ASP A 35 20.795 -48.031 2.827 1.00 52.31 O ATOM 0 H ASP A 35 20.175 -43.951 2.068 1.00 12.53 H new ATOM 0 HA ASP A 35 20.225 -46.070 0.212 1.00 53.12 H new ATOM 0 HB2 ASP A 35 19.873 -45.741 2.952 1.00 43.33 H new ATOM 0 HB3 ASP A 35 18.286 -46.272 2.433 1.00 43.33 H new ATOM 517 N GLY A 36 17.563 -44.255 0.172 1.00 32.14 N ATOM 518 CA GLY A 36 16.286 -44.058 -0.488 1.00 13.20 C ATOM 519 C GLY A 36 15.174 -43.727 0.487 1.00 13.55 C ATOM 520 O GLY A 36 14.225 -43.020 0.144 1.00 44.11 O ATOM 0 H GLY A 36 17.918 -43.439 0.670 1.00 32.14 H new ATOM 0 HA2 GLY A 36 16.378 -43.253 -1.217 1.00 13.20 H new ATOM 0 HA3 GLY A 36 16.023 -44.960 -1.041 1.00 13.20 H new ATOM 524 N THR A 37 15.288 -44.239 1.709 1.00 74.21 N ATOM 525 CA THR A 37 14.283 -43.996 2.736 1.00 30.53 C ATOM 526 C THR A 37 14.297 -42.540 3.186 1.00 52.13 C ATOM 527 O THR A 37 14.975 -41.702 2.590 1.00 34.41 O ATOM 528 CB THR A 37 14.503 -44.902 3.963 1.00 63.34 C ATOM 529 OG1 THR A 37 15.695 -44.511 4.653 1.00 0.41 O ATOM 530 CG2 THR A 37 14.609 -46.361 3.546 1.00 61.45 C ATOM 0 H THR A 37 16.067 -44.825 2.011 1.00 74.21 H new ATOM 0 HA THR A 37 13.315 -44.227 2.291 1.00 30.53 H new ATOM 0 HB THR A 37 13.646 -44.791 4.627 1.00 63.34 H new ATOM 0 HG1 THR A 37 16.176 -45.310 4.954 1.00 0.41 H new ATOM 0 HG21 THR A 37 14.764 -46.981 4.429 1.00 61.45 H new ATOM 0 HG22 THR A 37 13.689 -46.664 3.046 1.00 61.45 H new ATOM 0 HG23 THR A 37 15.450 -46.484 2.864 1.00 61.45 H new ATOM 538 N VAL A 38 13.545 -42.244 4.241 1.00 55.31 N ATOM 539 CA VAL A 38 13.472 -40.888 4.772 1.00 51.45 C ATOM 540 C VAL A 38 13.516 -40.891 6.295 1.00 10.34 C ATOM 541 O VAL A 38 12.785 -41.638 6.947 1.00 12.42 O ATOM 542 CB VAL A 38 12.190 -40.171 4.307 1.00 33.35 C ATOM 543 CG1 VAL A 38 12.012 -38.858 5.054 1.00 51.34 C ATOM 544 CG2 VAL A 38 12.224 -39.940 2.804 1.00 14.23 C ATOM 0 H VAL A 38 12.977 -42.925 4.745 1.00 55.31 H new ATOM 0 HA VAL A 38 14.339 -40.351 4.388 1.00 51.45 H new ATOM 0 HB VAL A 38 11.335 -40.808 4.533 1.00 33.35 H new ATOM 0 HG11 VAL A 38 11.102 -38.366 4.712 1.00 51.34 H new ATOM 0 HG12 VAL A 38 11.939 -39.055 6.124 1.00 51.34 H new ATOM 0 HG13 VAL A 38 12.868 -38.211 4.862 1.00 51.34 H new ATOM 0 HG21 VAL A 38 11.311 -39.433 2.493 1.00 14.23 H new ATOM 0 HG22 VAL A 38 13.086 -39.323 2.550 1.00 14.23 H new ATOM 0 HG23 VAL A 38 12.299 -40.898 2.290 1.00 14.23 H new ATOM 554 N LEU A 39 14.378 -40.051 6.858 1.00 13.04 N ATOM 555 CA LEU A 39 14.518 -39.956 8.307 1.00 14.43 C ATOM 556 C LEU A 39 13.266 -39.351 8.937 1.00 65.14 C ATOM 557 O LEU A 39 12.742 -38.345 8.457 1.00 13.15 O ATOM 558 CB LEU A 39 15.742 -39.112 8.667 1.00 52.32 C ATOM 559 CG LEU A 39 16.798 -39.797 9.535 1.00 52.12 C ATOM 560 CD1 LEU A 39 16.251 -40.066 10.928 1.00 31.20 C ATOM 561 CD2 LEU A 39 17.266 -41.091 8.884 1.00 15.42 C ATOM 0 H LEU A 39 14.990 -39.426 6.333 1.00 13.04 H new ATOM 0 HA LEU A 39 14.650 -40.964 8.701 1.00 14.43 H new ATOM 0 HB2 LEU A 39 16.217 -38.785 7.742 1.00 52.32 H new ATOM 0 HB3 LEU A 39 15.401 -38.216 9.185 1.00 52.32 H new ATOM 0 HG LEU A 39 17.655 -39.129 9.626 1.00 52.12 H new ATOM 0 HD11 LEU A 39 17.016 -40.554 11.532 1.00 31.20 H new ATOM 0 HD12 LEU A 39 15.966 -39.123 11.395 1.00 31.20 H new ATOM 0 HD13 LEU A 39 15.377 -40.714 10.857 1.00 31.20 H new ATOM 0 HD21 LEU A 39 18.017 -41.565 9.516 1.00 15.42 H new ATOM 0 HD22 LEU A 39 16.418 -41.764 8.762 1.00 15.42 H new ATOM 0 HD23 LEU A 39 17.699 -40.871 7.908 1.00 15.42 H new ATOM 573 N LEU A 40 12.794 -39.969 10.013 1.00 24.53 N ATOM 574 CA LEU A 40 11.606 -39.491 10.711 1.00 74.33 C ATOM 575 C LEU A 40 11.710 -37.998 11.005 1.00 64.25 C ATOM 576 O LEU A 40 10.729 -37.263 10.893 1.00 65.04 O ATOM 577 CB LEU A 40 11.409 -40.267 12.014 1.00 14.34 C ATOM 578 CG LEU A 40 10.059 -40.080 12.709 1.00 61.21 C ATOM 579 CD1 LEU A 40 8.918 -40.365 11.744 1.00 25.12 C ATOM 580 CD2 LEU A 40 9.961 -40.978 13.934 1.00 40.04 C ATOM 0 H LEU A 40 13.216 -40.803 10.422 1.00 24.53 H new ATOM 0 HA LEU A 40 10.744 -39.655 10.064 1.00 74.33 H new ATOM 0 HB2 LEU A 40 11.544 -41.328 11.805 1.00 14.34 H new ATOM 0 HB3 LEU A 40 12.196 -39.976 12.709 1.00 14.34 H new ATOM 0 HG LEU A 40 9.981 -39.043 13.036 1.00 61.21 H new ATOM 0 HD11 LEU A 40 7.966 -40.227 12.256 1.00 25.12 H new ATOM 0 HD12 LEU A 40 8.978 -39.681 10.898 1.00 25.12 H new ATOM 0 HD13 LEU A 40 8.992 -41.392 11.386 1.00 25.12 H new ATOM 0 HD21 LEU A 40 8.994 -40.832 14.416 1.00 40.04 H new ATOM 0 HD22 LEU A 40 10.061 -42.020 13.630 1.00 40.04 H new ATOM 0 HD23 LEU A 40 10.757 -40.726 14.634 1.00 40.04 H new ATOM 592 N SER A 41 12.907 -37.556 11.379 1.00 72.51 N ATOM 593 CA SER A 41 13.140 -36.151 11.690 1.00 32.13 C ATOM 594 C SER A 41 12.633 -35.254 10.565 1.00 63.11 C ATOM 595 O SER A 41 12.144 -34.150 10.807 1.00 73.25 O ATOM 596 CB SER A 41 14.630 -35.900 11.927 1.00 42.52 C ATOM 597 OG SER A 41 14.831 -35.003 13.006 1.00 22.40 O ATOM 0 H SER A 41 13.730 -38.151 11.474 1.00 72.51 H new ATOM 0 HA SER A 41 12.589 -35.909 12.599 1.00 32.13 H new ATOM 0 HB2 SER A 41 15.132 -36.844 12.137 1.00 42.52 H new ATOM 0 HB3 SER A 41 15.082 -35.493 11.022 1.00 42.52 H new ATOM 0 HG SER A 41 15.792 -34.860 13.138 1.00 22.40 H new ATOM 603 N THR A 42 12.755 -35.737 9.332 1.00 53.51 N ATOM 604 CA THR A 42 12.311 -34.980 8.168 1.00 2.21 C ATOM 605 C THR A 42 10.790 -34.971 8.065 1.00 4.40 C ATOM 606 O THR A 42 10.178 -33.922 7.864 1.00 11.21 O ATOM 607 CB THR A 42 12.899 -35.556 6.866 1.00 2.21 C ATOM 608 OG1 THR A 42 14.329 -35.564 6.936 1.00 44.11 O ATOM 609 CG2 THR A 42 12.450 -34.741 5.663 1.00 72.25 C ATOM 0 H THR A 42 13.157 -36.649 9.114 1.00 53.51 H new ATOM 0 HA THR A 42 12.669 -33.959 8.300 1.00 2.21 H new ATOM 0 HB THR A 42 12.536 -36.577 6.750 1.00 2.21 H new ATOM 0 HG1 THR A 42 14.695 -35.933 6.105 1.00 44.11 H new ATOM 0 HG21 THR A 42 12.878 -35.167 4.755 1.00 72.25 H new ATOM 0 HG22 THR A 42 11.362 -34.761 5.596 1.00 72.25 H new ATOM 0 HG23 THR A 42 12.788 -33.711 5.775 1.00 72.25 H new ATOM 617 N VAL A 43 10.185 -36.146 8.205 1.00 43.04 N ATOM 618 CA VAL A 43 8.735 -36.273 8.129 1.00 12.20 C ATOM 619 C VAL A 43 8.048 -35.309 9.090 1.00 20.45 C ATOM 620 O VAL A 43 6.985 -34.765 8.789 1.00 62.10 O ATOM 621 CB VAL A 43 8.280 -37.710 8.447 1.00 13.50 C ATOM 622 CG1 VAL A 43 6.837 -37.718 8.930 1.00 25.44 C ATOM 623 CG2 VAL A 43 8.447 -38.603 7.227 1.00 24.35 C ATOM 0 H VAL A 43 10.677 -37.024 8.372 1.00 43.04 H new ATOM 0 HA VAL A 43 8.449 -36.027 7.106 1.00 12.20 H new ATOM 0 HB VAL A 43 8.908 -38.104 9.246 1.00 13.50 H new ATOM 0 HG11 VAL A 43 6.533 -38.741 9.150 1.00 25.44 H new ATOM 0 HG12 VAL A 43 6.752 -37.112 9.832 1.00 25.44 H new ATOM 0 HG13 VAL A 43 6.191 -37.306 8.154 1.00 25.44 H new ATOM 0 HG21 VAL A 43 8.121 -39.615 7.469 1.00 24.35 H new ATOM 0 HG22 VAL A 43 7.844 -38.214 6.406 1.00 24.35 H new ATOM 0 HG23 VAL A 43 9.496 -38.621 6.930 1.00 24.35 H new ATOM 633 N THR A 44 8.662 -35.102 10.251 1.00 45.50 N ATOM 634 CA THR A 44 8.111 -34.204 11.258 1.00 73.00 C ATOM 635 C THR A 44 8.298 -32.745 10.856 1.00 33.53 C ATOM 636 O THR A 44 7.541 -31.873 11.281 1.00 73.12 O ATOM 637 CB THR A 44 8.764 -34.434 12.634 1.00 43.42 C ATOM 638 OG1 THR A 44 10.094 -33.903 12.639 1.00 1.41 O ATOM 639 CG2 THR A 44 8.803 -35.916 12.974 1.00 42.12 C ATOM 0 H THR A 44 9.542 -35.545 10.517 1.00 45.50 H new ATOM 0 HA THR A 44 7.046 -34.424 11.329 1.00 73.00 H new ATOM 0 HB THR A 44 8.165 -33.921 13.386 1.00 43.42 H new ATOM 0 HG1 THR A 44 10.563 -34.189 11.827 1.00 1.41 H new ATOM 0 HG21 THR A 44 9.268 -36.053 13.950 1.00 42.12 H new ATOM 0 HG22 THR A 44 7.787 -36.311 12.998 1.00 42.12 H new ATOM 0 HG23 THR A 44 9.381 -36.448 12.218 1.00 42.12 H new ATOM 647 N ALA A 45 9.310 -32.488 10.035 1.00 42.11 N ATOM 648 CA ALA A 45 9.595 -31.135 9.574 1.00 55.33 C ATOM 649 C ALA A 45 8.332 -30.455 9.054 1.00 20.14 C ATOM 650 O ALA A 45 8.036 -29.317 9.417 1.00 52.02 O ATOM 651 CB ALA A 45 10.665 -31.159 8.493 1.00 24.52 C ATOM 0 H ALA A 45 9.947 -33.199 9.675 1.00 42.11 H new ATOM 0 HA ALA A 45 9.964 -30.560 10.423 1.00 55.33 H new ATOM 0 HB1 ALA A 45 10.867 -30.141 8.159 1.00 24.52 H new ATOM 0 HB2 ALA A 45 11.579 -31.597 8.895 1.00 24.52 H new ATOM 0 HB3 ALA A 45 10.317 -31.756 7.650 1.00 24.52 H new ATOM 657 N GLN A 46 7.593 -31.160 8.204 1.00 62.21 N ATOM 658 CA GLN A 46 6.363 -30.623 7.634 1.00 2.11 C ATOM 659 C GLN A 46 5.140 -31.309 8.234 1.00 63.34 C ATOM 660 O GLN A 46 4.089 -30.692 8.401 1.00 14.40 O ATOM 661 CB GLN A 46 6.364 -30.792 6.114 1.00 72.51 C ATOM 662 CG GLN A 46 7.757 -30.839 5.508 1.00 60.35 C ATOM 663 CD GLN A 46 8.196 -32.249 5.163 1.00 44.31 C ATOM 664 OE1 GLN A 46 9.077 -32.813 5.813 1.00 34.41 O ATOM 665 NE2 GLN A 46 7.584 -32.825 4.135 1.00 22.44 N ATOM 0 H GLN A 46 7.824 -32.104 7.895 1.00 62.21 H new ATOM 0 HA GLN A 46 6.315 -29.561 7.874 1.00 2.11 H new ATOM 0 HB2 GLN A 46 5.835 -31.710 5.859 1.00 72.51 H new ATOM 0 HB3 GLN A 46 5.809 -29.968 5.665 1.00 72.51 H new ATOM 0 HG2 GLN A 46 7.778 -30.225 4.607 1.00 60.35 H new ATOM 0 HG3 GLN A 46 8.469 -30.402 6.208 1.00 60.35 H new ATOM 0 HE21 GLN A 46 6.859 -32.320 3.625 1.00 22.44 H new ATOM 0 HE22 GLN A 46 7.839 -33.772 3.856 1.00 22.44 H new ATOM 674 N PHE A 47 5.285 -32.591 8.555 1.00 43.31 N ATOM 675 CA PHE A 47 4.192 -33.362 9.135 1.00 51.22 C ATOM 676 C PHE A 47 4.508 -33.756 10.575 1.00 52.43 C ATOM 677 O PHE A 47 4.818 -34.908 10.876 1.00 31.30 O ATOM 678 CB PHE A 47 3.924 -34.615 8.299 1.00 51.14 C ATOM 679 CG PHE A 47 4.255 -34.447 6.843 1.00 2.33 C ATOM 680 CD1 PHE A 47 5.105 -35.336 6.205 1.00 12.13 C ATOM 681 CD2 PHE A 47 3.717 -33.399 6.113 1.00 5.25 C ATOM 682 CE1 PHE A 47 5.412 -35.184 4.866 1.00 34.21 C ATOM 683 CE2 PHE A 47 4.020 -33.242 4.774 1.00 22.31 C ATOM 684 CZ PHE A 47 4.869 -34.135 4.150 1.00 62.21 C ATOM 0 H PHE A 47 6.149 -33.117 8.423 1.00 43.31 H new ATOM 0 HA PHE A 47 3.300 -32.736 9.136 1.00 51.22 H new ATOM 0 HB2 PHE A 47 4.507 -35.443 8.703 1.00 51.14 H new ATOM 0 HB3 PHE A 47 2.873 -34.888 8.395 1.00 51.14 H new ATOM 0 HD1 PHE A 47 5.533 -36.157 6.761 1.00 12.13 H new ATOM 0 HD2 PHE A 47 3.053 -32.697 6.596 1.00 5.25 H new ATOM 0 HE1 PHE A 47 6.075 -35.884 4.380 1.00 34.21 H new ATOM 0 HE2 PHE A 47 3.593 -32.422 4.216 1.00 22.31 H new ATOM 0 HZ PHE A 47 5.108 -34.013 3.104 1.00 62.21 H new ATOM 694 N PRO A 48 4.428 -32.775 11.487 1.00 63.23 N ATOM 695 CA PRO A 48 4.702 -32.994 12.910 1.00 10.01 C ATOM 696 C PRO A 48 3.628 -33.841 13.583 1.00 34.04 C ATOM 697 O PRO A 48 2.436 -33.560 13.464 1.00 50.41 O ATOM 698 CB PRO A 48 4.709 -31.578 13.492 1.00 61.14 C ATOM 699 CG PRO A 48 3.857 -30.783 12.564 1.00 74.21 C ATOM 700 CD PRO A 48 4.065 -31.378 11.198 1.00 15.35 C ATOM 0 HA PRO A 48 5.633 -33.539 13.067 1.00 10.01 H new ATOM 0 HB2 PRO A 48 4.309 -31.565 14.506 1.00 61.14 H new ATOM 0 HB3 PRO A 48 5.721 -31.176 13.543 1.00 61.14 H new ATOM 0 HG2 PRO A 48 2.808 -30.834 12.856 1.00 74.21 H new ATOM 0 HG3 PRO A 48 4.141 -29.731 12.579 1.00 74.21 H new ATOM 0 HD2 PRO A 48 3.162 -31.315 10.590 1.00 15.35 H new ATOM 0 HD3 PRO A 48 4.854 -30.862 10.651 1.00 15.35 H new ATOM 708 N GLY A 49 4.058 -34.880 14.293 1.00 73.44 N ATOM 709 CA GLY A 49 3.119 -35.752 14.975 1.00 64.21 C ATOM 710 C GLY A 49 2.718 -36.945 14.131 1.00 75.32 C ATOM 711 O GLY A 49 2.351 -37.994 14.661 1.00 52.33 O ATOM 0 H GLY A 49 5.039 -35.133 14.408 1.00 73.44 H new ATOM 0 HA2 GLY A 49 3.564 -36.103 15.906 1.00 64.21 H new ATOM 0 HA3 GLY A 49 2.228 -35.184 15.242 1.00 64.21 H new ATOM 715 N ALA A 50 2.785 -36.786 12.813 1.00 12.41 N ATOM 716 CA ALA A 50 2.425 -37.858 11.894 1.00 23.42 C ATOM 717 C ALA A 50 3.128 -39.159 12.267 1.00 20.33 C ATOM 718 O ALA A 50 4.335 -39.175 12.514 1.00 35.43 O ATOM 719 CB ALA A 50 2.764 -37.464 10.464 1.00 25.33 C ATOM 0 H ALA A 50 3.086 -35.924 12.358 1.00 12.41 H new ATOM 0 HA ALA A 50 1.350 -38.022 11.969 1.00 23.42 H new ATOM 0 HB1 ALA A 50 2.490 -38.274 9.789 1.00 25.33 H new ATOM 0 HB2 ALA A 50 2.212 -36.564 10.194 1.00 25.33 H new ATOM 0 HB3 ALA A 50 3.834 -37.271 10.384 1.00 25.33 H new ATOM 725 N CYS A 51 2.367 -40.247 12.307 1.00 73.00 N ATOM 726 CA CYS A 51 2.917 -41.553 12.652 1.00 72.22 C ATOM 727 C CYS A 51 3.149 -42.393 11.400 1.00 35.31 C ATOM 728 O CYS A 51 4.143 -43.110 11.296 1.00 2.31 O ATOM 729 CB CYS A 51 1.977 -42.289 13.608 1.00 61.20 C ATOM 730 SG CYS A 51 2.746 -43.677 14.476 1.00 55.03 S ATOM 0 H CYS A 51 1.367 -40.251 12.105 1.00 73.00 H new ATOM 0 HA CYS A 51 3.876 -41.397 13.146 1.00 72.22 H new ATOM 0 HB2 CYS A 51 1.596 -41.580 14.344 1.00 61.20 H new ATOM 0 HB3 CYS A 51 1.119 -42.657 13.045 1.00 61.20 H new ATOM 0 HG CYS A 51 1.873 -44.234 15.262 1.00 55.03 H new ATOM 736 N GLY A 52 2.221 -42.301 10.451 1.00 3.15 N ATOM 737 CA GLY A 52 2.342 -43.059 9.220 1.00 50.01 C ATOM 738 C GLY A 52 1.779 -42.316 8.024 1.00 22.34 C ATOM 739 O GLY A 52 0.826 -41.547 8.154 1.00 33.32 O ATOM 0 H GLY A 52 1.388 -41.715 10.514 1.00 3.15 H new ATOM 0 HA2 GLY A 52 3.392 -43.288 9.040 1.00 50.01 H new ATOM 0 HA3 GLY A 52 1.822 -44.011 9.330 1.00 50.01 H new ATOM 743 N LEU A 53 2.370 -42.544 6.857 1.00 43.13 N ATOM 744 CA LEU A 53 1.923 -41.889 5.632 1.00 21.02 C ATOM 745 C LEU A 53 1.366 -42.907 4.642 1.00 21.14 C ATOM 746 O LEU A 53 1.872 -44.024 4.535 1.00 21.32 O ATOM 747 CB LEU A 53 3.078 -41.117 4.992 1.00 24.50 C ATOM 748 CG LEU A 53 3.916 -40.256 5.938 1.00 51.02 C ATOM 749 CD1 LEU A 53 3.031 -39.600 6.986 1.00 2.43 C ATOM 750 CD2 LEU A 53 5.001 -41.092 6.601 1.00 41.14 C ATOM 0 H LEU A 53 3.160 -43.177 6.732 1.00 43.13 H new ATOM 0 HA LEU A 53 1.128 -41.191 5.892 1.00 21.02 H new ATOM 0 HB2 LEU A 53 3.739 -41.832 4.502 1.00 24.50 H new ATOM 0 HB3 LEU A 53 2.671 -40.474 4.212 1.00 24.50 H new ATOM 0 HG LEU A 53 4.397 -39.471 5.354 1.00 51.02 H new ATOM 0 HD11 LEU A 53 3.644 -38.991 7.651 1.00 2.43 H new ATOM 0 HD12 LEU A 53 2.292 -38.968 6.494 1.00 2.43 H new ATOM 0 HD13 LEU A 53 2.522 -40.370 7.566 1.00 2.43 H new ATOM 0 HD21 LEU A 53 5.587 -40.463 7.271 1.00 41.14 H new ATOM 0 HD22 LEU A 53 4.541 -41.899 7.172 1.00 41.14 H new ATOM 0 HD23 LEU A 53 5.653 -41.514 5.836 1.00 41.14 H new ATOM 762 N ARG A 54 0.323 -42.513 3.920 1.00 50.44 N ATOM 763 CA ARG A 54 -0.302 -43.390 2.938 1.00 61.44 C ATOM 764 C ARG A 54 0.049 -42.955 1.518 1.00 53.41 C ATOM 765 O ARG A 54 0.545 -41.849 1.302 1.00 44.12 O ATOM 766 CB ARG A 54 -1.821 -43.396 3.120 1.00 2.14 C ATOM 767 CG ARG A 54 -2.442 -44.779 3.010 1.00 14.55 C ATOM 768 CD ARG A 54 -2.810 -45.334 4.377 1.00 31.34 C ATOM 769 NE ARG A 54 -1.738 -46.148 4.944 1.00 4.41 N ATOM 770 CZ ARG A 54 -1.487 -47.397 4.570 1.00 32.44 C ATOM 771 NH1 ARG A 54 -2.228 -47.974 3.634 1.00 34.15 N ATOM 772 NH2 ARG A 54 -0.493 -48.073 5.133 1.00 52.11 N ATOM 0 H ARG A 54 -0.107 -41.591 3.997 1.00 50.44 H new ATOM 0 HA ARG A 54 0.080 -44.399 3.095 1.00 61.44 H new ATOM 0 HB2 ARG A 54 -2.063 -42.975 4.096 1.00 2.14 H new ATOM 0 HB3 ARG A 54 -2.271 -42.744 2.371 1.00 2.14 H new ATOM 0 HG2 ARG A 54 -3.333 -44.730 2.384 1.00 14.55 H new ATOM 0 HG3 ARG A 54 -1.743 -45.455 2.518 1.00 14.55 H new ATOM 0 HD2 ARG A 54 -3.036 -44.510 5.054 1.00 31.34 H new ATOM 0 HD3 ARG A 54 -3.715 -45.935 4.293 1.00 31.34 H new ATOM 0 HE ARG A 54 -1.150 -45.734 5.667 1.00 4.41 H new ATOM 0 HH11 ARG A 54 -2.993 -47.458 3.199 1.00 34.15 H new ATOM 0 HH12 ARG A 54 -2.033 -48.934 3.349 1.00 34.15 H new ATOM 0 HH21 ARG A 54 0.079 -47.633 5.854 1.00 52.11 H new ATOM 0 HH22 ARG A 54 -0.301 -49.032 4.845 1.00 52.11 H new ATOM 786 N TYR A 55 -0.213 -43.831 0.554 1.00 3.33 N ATOM 787 CA TYR A 55 0.078 -43.538 -0.844 1.00 52.13 C ATOM 788 C TYR A 55 -1.201 -43.208 -1.609 1.00 24.02 C ATOM 789 O TYR A 55 -2.171 -43.965 -1.574 1.00 62.10 O ATOM 790 CB TYR A 55 0.785 -44.725 -1.499 1.00 60.54 C ATOM 791 CG TYR A 55 2.196 -44.418 -1.948 1.00 53.33 C ATOM 792 CD1 TYR A 55 2.443 -43.448 -2.913 1.00 33.33 C ATOM 793 CD2 TYR A 55 3.281 -45.097 -1.409 1.00 43.41 C ATOM 794 CE1 TYR A 55 3.730 -43.164 -3.327 1.00 33.05 C ATOM 795 CE2 TYR A 55 4.572 -44.818 -1.816 1.00 13.13 C ATOM 796 CZ TYR A 55 4.791 -43.851 -2.775 1.00 32.12 C ATOM 797 OH TYR A 55 6.075 -43.572 -3.184 1.00 13.44 O ATOM 0 H TYR A 55 -0.626 -44.749 0.715 1.00 3.33 H new ATOM 0 HA TYR A 55 0.735 -42.669 -0.878 1.00 52.13 H new ATOM 0 HB2 TYR A 55 0.810 -45.556 -0.794 1.00 60.54 H new ATOM 0 HB3 TYR A 55 0.203 -45.054 -2.360 1.00 60.54 H new ATOM 0 HD1 TYR A 55 1.615 -42.907 -3.346 1.00 33.33 H new ATOM 0 HD2 TYR A 55 3.113 -45.856 -0.659 1.00 43.41 H new ATOM 0 HE1 TYR A 55 3.904 -42.408 -4.079 1.00 33.05 H new ATOM 0 HE2 TYR A 55 5.405 -45.354 -1.386 1.00 13.13 H new ATOM 0 HH TYR A 55 6.093 -42.703 -3.636 1.00 13.44 H new ATOM 807 N ARG A 56 -1.193 -42.073 -2.299 1.00 40.53 N ATOM 808 CA ARG A 56 -2.351 -41.641 -3.072 1.00 51.34 C ATOM 809 C ARG A 56 -1.952 -41.302 -4.506 1.00 12.22 C ATOM 810 O ARG A 56 -1.438 -40.218 -4.777 1.00 64.04 O ATOM 811 CB ARG A 56 -3.007 -40.426 -2.413 1.00 43.24 C ATOM 812 CG ARG A 56 -3.897 -39.629 -3.353 1.00 63.24 C ATOM 813 CD ARG A 56 -4.931 -40.517 -4.028 1.00 23.32 C ATOM 814 NE ARG A 56 -5.677 -39.802 -5.059 1.00 74.11 N ATOM 815 CZ ARG A 56 -6.876 -40.177 -5.492 1.00 11.22 C ATOM 816 NH1 ARG A 56 -7.461 -41.253 -4.985 1.00 21.24 N ATOM 817 NH2 ARG A 56 -7.493 -39.474 -6.433 1.00 45.04 N ATOM 0 H ARG A 56 -0.398 -41.436 -2.339 1.00 40.53 H new ATOM 0 HA ARG A 56 -3.067 -42.463 -3.097 1.00 51.34 H new ATOM 0 HB2 ARG A 56 -3.600 -40.761 -1.562 1.00 43.24 H new ATOM 0 HB3 ARG A 56 -2.228 -39.771 -2.021 1.00 43.24 H new ATOM 0 HG2 ARG A 56 -4.402 -38.840 -2.796 1.00 63.24 H new ATOM 0 HG3 ARG A 56 -3.284 -39.142 -4.111 1.00 63.24 H new ATOM 0 HD2 ARG A 56 -4.434 -41.379 -4.473 1.00 23.32 H new ATOM 0 HD3 ARG A 56 -5.624 -40.900 -3.279 1.00 23.32 H new ATOM 0 HE ARG A 56 -5.255 -38.969 -5.469 1.00 74.11 H new ATOM 0 HH11 ARG A 56 -6.991 -41.796 -4.260 1.00 21.24 H new ATOM 0 HH12 ARG A 56 -8.381 -41.538 -5.319 1.00 21.24 H new ATOM 0 HH21 ARG A 56 -7.047 -38.645 -6.825 1.00 45.04 H new ATOM 0 HH22 ARG A 56 -8.413 -39.763 -6.765 1.00 45.04 H new ATOM 831 N ASN A 57 -2.193 -42.237 -5.419 1.00 34.45 N ATOM 832 CA ASN A 57 -1.858 -42.038 -6.824 1.00 34.41 C ATOM 833 C ASN A 57 -3.118 -41.999 -7.683 1.00 55.41 C ATOM 834 O ASN A 57 -4.037 -42.802 -7.520 1.00 10.15 O ATOM 835 CB ASN A 57 -0.930 -43.153 -7.311 1.00 53.12 C ATOM 836 CG ASN A 57 0.526 -42.874 -6.991 1.00 74.21 C ATOM 837 OD1 ASN A 57 0.981 -43.103 -5.871 1.00 1.05 O ATOM 838 ND2 ASN A 57 1.263 -42.377 -7.977 1.00 63.21 N ATOM 0 H ASN A 57 -2.619 -43.140 -5.211 1.00 34.45 H new ATOM 0 HA ASN A 57 -1.346 -41.081 -6.918 1.00 34.41 H new ATOM 0 HB2 ASN A 57 -1.226 -44.096 -6.851 1.00 53.12 H new ATOM 0 HB3 ASN A 57 -1.046 -43.274 -8.388 1.00 53.12 H new ATOM 0 HD21 ASN A 57 2.249 -42.169 -7.822 1.00 63.21 H new ATOM 0 HD22 ASN A 57 0.843 -42.203 -8.890 1.00 63.21 H new ATOM 845 N PRO A 58 -3.164 -41.042 -8.622 1.00 54.21 N ATOM 846 CA PRO A 58 -4.306 -40.875 -9.527 1.00 4.43 C ATOM 847 C PRO A 58 -4.414 -42.010 -10.539 1.00 12.11 C ATOM 848 O PRO A 58 -5.498 -42.545 -10.773 1.00 51.32 O ATOM 849 CB PRO A 58 -4.005 -39.552 -10.237 1.00 22.34 C ATOM 850 CG PRO A 58 -2.523 -39.416 -10.171 1.00 43.12 C ATOM 851 CD PRO A 58 -2.105 -40.050 -8.873 1.00 54.12 C ATOM 0 HA PRO A 58 -5.255 -40.881 -8.991 1.00 4.43 H new ATOM 0 HB2 PRO A 58 -4.356 -39.568 -11.269 1.00 22.34 H new ATOM 0 HB3 PRO A 58 -4.502 -38.716 -9.744 1.00 22.34 H new ATOM 0 HG2 PRO A 58 -2.048 -39.911 -11.018 1.00 43.12 H new ATOM 0 HG3 PRO A 58 -2.226 -38.368 -10.207 1.00 43.12 H new ATOM 0 HD2 PRO A 58 -1.125 -40.520 -8.953 1.00 54.12 H new ATOM 0 HD3 PRO A 58 -2.043 -39.317 -8.069 1.00 54.12 H new ATOM 859 N VAL A 59 -3.284 -42.374 -11.136 1.00 71.05 N ATOM 860 CA VAL A 59 -3.252 -43.447 -12.123 1.00 31.43 C ATOM 861 C VAL A 59 -3.243 -44.814 -11.447 1.00 61.13 C ATOM 862 O VAL A 59 -3.731 -45.797 -12.005 1.00 15.22 O ATOM 863 CB VAL A 59 -2.019 -43.331 -13.039 1.00 35.31 C ATOM 864 CG1 VAL A 59 -2.101 -42.071 -13.887 1.00 20.22 C ATOM 865 CG2 VAL A 59 -0.741 -43.348 -12.215 1.00 44.13 C ATOM 0 H VAL A 59 -2.378 -41.942 -10.954 1.00 71.05 H new ATOM 0 HA VAL A 59 -4.154 -43.349 -12.727 1.00 31.43 H new ATOM 0 HB VAL A 59 -2.003 -44.190 -13.710 1.00 35.31 H new ATOM 0 HG11 VAL A 59 -1.222 -42.006 -14.528 1.00 20.22 H new ATOM 0 HG12 VAL A 59 -2.998 -42.106 -14.505 1.00 20.22 H new ATOM 0 HG13 VAL A 59 -2.142 -41.197 -13.237 1.00 20.22 H new ATOM 0 HG21 VAL A 59 0.120 -43.265 -12.878 1.00 44.13 H new ATOM 0 HG22 VAL A 59 -0.745 -42.509 -11.519 1.00 44.13 H new ATOM 0 HG23 VAL A 59 -0.681 -44.282 -11.656 1.00 44.13 H new ATOM 875 N SER A 60 -2.684 -44.869 -10.243 1.00 21.04 N ATOM 876 CA SER A 60 -2.608 -46.117 -9.491 1.00 42.54 C ATOM 877 C SER A 60 -3.916 -46.387 -8.754 1.00 25.14 C ATOM 878 O SER A 60 -4.280 -47.539 -8.519 1.00 14.33 O ATOM 879 CB SER A 60 -1.448 -46.067 -8.495 1.00 41.50 C ATOM 880 OG SER A 60 -0.751 -47.300 -8.461 1.00 50.03 O ATOM 0 H SER A 60 -2.277 -44.064 -9.767 1.00 21.04 H new ATOM 0 HA SER A 60 -2.435 -46.929 -10.198 1.00 42.54 H new ATOM 0 HB2 SER A 60 -0.762 -45.266 -8.771 1.00 41.50 H new ATOM 0 HB3 SER A 60 -1.828 -45.833 -7.501 1.00 41.50 H new ATOM 0 HG SER A 60 -0.014 -47.241 -7.818 1.00 50.03 H new ATOM 886 N GLN A 61 -4.616 -45.317 -8.391 1.00 44.15 N ATOM 887 CA GLN A 61 -5.882 -45.438 -7.680 1.00 34.43 C ATOM 888 C GLN A 61 -5.678 -46.075 -6.309 1.00 3.10 C ATOM 889 O GLN A 61 -6.527 -46.827 -5.830 1.00 15.22 O ATOM 890 CB GLN A 61 -6.874 -46.268 -8.498 1.00 24.14 C ATOM 891 CG GLN A 61 -6.946 -45.861 -9.960 1.00 71.15 C ATOM 892 CD GLN A 61 -7.841 -46.773 -10.776 1.00 53.12 C ATOM 893 OE1 GLN A 61 -8.986 -46.432 -11.077 1.00 4.23 O ATOM 894 NE2 GLN A 61 -7.324 -47.940 -11.140 1.00 23.41 N ATOM 0 H GLN A 61 -4.327 -44.357 -8.578 1.00 44.15 H new ATOM 0 HA GLN A 61 -6.287 -44.436 -7.539 1.00 34.43 H new ATOM 0 HB2 GLN A 61 -6.594 -47.319 -8.435 1.00 24.14 H new ATOM 0 HB3 GLN A 61 -7.865 -46.175 -8.054 1.00 24.14 H new ATOM 0 HG2 GLN A 61 -7.315 -44.838 -10.031 1.00 71.15 H new ATOM 0 HG3 GLN A 61 -5.942 -45.868 -10.385 1.00 71.15 H new ATOM 0 HE21 GLN A 61 -6.371 -48.182 -10.869 1.00 23.41 H new ATOM 0 HE22 GLN A 61 -7.880 -48.594 -11.691 1.00 23.41 H new ATOM 903 N CYS A 62 -4.546 -45.769 -5.683 1.00 74.55 N ATOM 904 CA CYS A 62 -4.230 -46.313 -4.367 1.00 44.05 C ATOM 905 C CYS A 62 -4.043 -47.825 -4.434 1.00 63.24 C ATOM 906 O CYS A 62 -4.663 -48.501 -5.254 1.00 60.44 O ATOM 907 CB CYS A 62 -5.336 -45.967 -3.370 1.00 71.30 C ATOM 908 SG CYS A 62 -4.801 -45.972 -1.643 1.00 10.21 S ATOM 0 H CYS A 62 -3.833 -45.148 -6.065 1.00 74.55 H new ATOM 0 HA CYS A 62 -3.295 -45.865 -4.031 1.00 44.05 H new ATOM 0 HB2 CYS A 62 -5.734 -44.982 -3.613 1.00 71.30 H new ATOM 0 HB3 CYS A 62 -6.153 -46.679 -3.488 1.00 71.30 H new ATOM 0 HG CYS A 62 -3.759 -45.206 -1.509 1.00 10.21 H new ATOM 914 N MET A 63 -3.183 -48.349 -3.567 1.00 44.11 N ATOM 915 CA MET A 63 -2.914 -49.782 -3.528 1.00 43.34 C ATOM 916 C MET A 63 -1.892 -50.114 -2.445 1.00 74.13 C ATOM 917 O MET A 63 -2.060 -51.076 -1.696 1.00 22.14 O ATOM 918 CB MET A 63 -2.407 -50.264 -4.889 1.00 22.01 C ATOM 919 CG MET A 63 -3.387 -51.171 -5.616 1.00 3.22 C ATOM 920 SD MET A 63 -2.847 -52.891 -5.650 1.00 42.25 S ATOM 921 CE MET A 63 -3.923 -53.608 -4.411 1.00 64.42 C ATOM 0 H MET A 63 -2.660 -47.803 -2.882 1.00 44.11 H new ATOM 0 HA MET A 63 -3.846 -50.295 -3.293 1.00 43.34 H new ATOM 0 HB2 MET A 63 -2.193 -49.398 -5.515 1.00 22.01 H new ATOM 0 HB3 MET A 63 -1.466 -50.797 -4.749 1.00 22.01 H new ATOM 0 HG2 MET A 63 -4.361 -51.110 -5.131 1.00 3.22 H new ATOM 0 HG3 MET A 63 -3.517 -50.815 -6.638 1.00 3.22 H new ATOM 0 HE1 MET A 63 -3.709 -54.673 -4.316 1.00 64.42 H new ATOM 0 HE2 MET A 63 -3.753 -53.117 -3.453 1.00 64.42 H new ATOM 0 HE3 MET A 63 -4.963 -53.472 -4.709 1.00 64.42 H new ATOM 931 N ARG A 64 -0.835 -49.313 -2.369 1.00 41.33 N ATOM 932 CA ARG A 64 0.214 -49.523 -1.379 1.00 32.43 C ATOM 933 C ARG A 64 0.308 -48.335 -0.426 1.00 23.42 C ATOM 934 O ARG A 64 -0.485 -47.398 -0.505 1.00 63.32 O ATOM 935 CB ARG A 64 1.561 -49.745 -2.070 1.00 14.12 C ATOM 936 CG ARG A 64 1.831 -48.769 -3.204 1.00 21.45 C ATOM 937 CD ARG A 64 3.305 -48.406 -3.286 1.00 3.45 C ATOM 938 NE ARG A 64 3.874 -48.716 -4.595 1.00 34.04 N ATOM 939 CZ ARG A 64 3.557 -48.063 -5.707 1.00 12.21 C ATOM 940 NH1 ARG A 64 2.681 -47.068 -5.669 1.00 20.01 N ATOM 941 NH2 ARG A 64 4.117 -48.404 -6.861 1.00 13.05 N ATOM 0 H ARG A 64 -0.682 -48.512 -2.982 1.00 41.33 H new ATOM 0 HA ARG A 64 -0.040 -50.411 -0.801 1.00 32.43 H new ATOM 0 HB2 ARG A 64 2.358 -49.660 -1.331 1.00 14.12 H new ATOM 0 HB3 ARG A 64 1.596 -50.762 -2.461 1.00 14.12 H new ATOM 0 HG2 ARG A 64 1.510 -49.209 -4.148 1.00 21.45 H new ATOM 0 HG3 ARG A 64 1.240 -47.865 -3.056 1.00 21.45 H new ATOM 0 HD2 ARG A 64 3.428 -47.343 -3.080 1.00 3.45 H new ATOM 0 HD3 ARG A 64 3.855 -48.946 -2.515 1.00 3.45 H new ATOM 0 HE ARG A 64 4.552 -49.476 -4.658 1.00 34.04 H new ATOM 0 HH11 ARG A 64 2.249 -46.803 -4.784 1.00 20.01 H new ATOM 0 HH12 ARG A 64 2.439 -46.568 -6.525 1.00 20.01 H new ATOM 0 HH21 ARG A 64 4.792 -49.168 -6.894 1.00 13.05 H new ATOM 0 HH22 ARG A 64 3.873 -47.902 -7.715 1.00 13.05 H new ATOM 955 N GLY A 65 1.284 -48.383 0.476 1.00 44.50 N ATOM 956 CA GLY A 65 1.464 -47.305 1.431 1.00 22.25 C ATOM 957 C GLY A 65 2.902 -47.172 1.892 1.00 63.43 C ATOM 958 O GLY A 65 3.608 -48.170 2.045 1.00 55.21 O ATOM 0 H GLY A 65 1.953 -49.148 0.562 1.00 44.50 H new ATOM 0 HA2 GLY A 65 1.142 -46.366 0.980 1.00 22.25 H new ATOM 0 HA3 GLY A 65 0.823 -47.479 2.295 1.00 22.25 H new ATOM 962 N VAL A 66 3.340 -45.937 2.111 1.00 0.44 N ATOM 963 CA VAL A 66 4.704 -45.676 2.556 1.00 31.42 C ATOM 964 C VAL A 66 5.057 -46.526 3.772 1.00 50.30 C ATOM 965 O VAL A 66 4.511 -46.330 4.858 1.00 23.11 O ATOM 966 CB VAL A 66 4.906 -44.190 2.906 1.00 64.13 C ATOM 967 CG1 VAL A 66 6.321 -43.948 3.409 1.00 43.42 C ATOM 968 CG2 VAL A 66 4.603 -43.314 1.700 1.00 50.41 C ATOM 0 H VAL A 66 2.770 -45.100 1.987 1.00 0.44 H new ATOM 0 HA VAL A 66 5.363 -45.939 1.728 1.00 31.42 H new ATOM 0 HB VAL A 66 4.212 -43.924 3.703 1.00 64.13 H new ATOM 0 HG11 VAL A 66 6.445 -42.893 3.651 1.00 43.42 H new ATOM 0 HG12 VAL A 66 6.498 -44.549 4.301 1.00 43.42 H new ATOM 0 HG13 VAL A 66 7.035 -44.229 2.635 1.00 43.42 H new ATOM 0 HG21 VAL A 66 4.751 -42.267 1.965 1.00 50.41 H new ATOM 0 HG22 VAL A 66 5.271 -43.579 0.881 1.00 50.41 H new ATOM 0 HG23 VAL A 66 3.570 -43.467 1.389 1.00 50.41 H new ATOM 978 N ARG A 67 5.973 -47.469 3.582 1.00 65.21 N ATOM 979 CA ARG A 67 6.399 -48.350 4.663 1.00 4.51 C ATOM 980 C ARG A 67 7.163 -47.570 5.730 1.00 34.21 C ATOM 981 O ARG A 67 7.945 -46.671 5.417 1.00 35.24 O ATOM 982 CB ARG A 67 7.276 -49.478 4.116 1.00 53.43 C ATOM 983 CG ARG A 67 7.862 -50.372 5.196 1.00 72.34 C ATOM 984 CD ARG A 67 6.777 -51.148 5.926 1.00 73.22 C ATOM 985 NE ARG A 67 7.048 -51.253 7.357 1.00 73.20 N ATOM 986 CZ ARG A 67 6.315 -51.981 8.192 1.00 13.23 C ATOM 987 NH1 ARG A 67 5.272 -52.664 7.741 1.00 32.14 N ATOM 988 NH2 ARG A 67 6.625 -52.026 9.482 1.00 73.23 N ATOM 0 H ARG A 67 6.435 -47.643 2.689 1.00 65.21 H new ATOM 0 HA ARG A 67 5.508 -48.781 5.119 1.00 4.51 H new ATOM 0 HB2 ARG A 67 6.685 -50.088 3.433 1.00 53.43 H new ATOM 0 HB3 ARG A 67 8.089 -49.045 3.534 1.00 53.43 H new ATOM 0 HG2 ARG A 67 8.571 -51.069 4.748 1.00 72.34 H new ATOM 0 HG3 ARG A 67 8.419 -49.765 5.909 1.00 72.34 H new ATOM 0 HD2 ARG A 67 5.816 -50.657 5.774 1.00 73.22 H new ATOM 0 HD3 ARG A 67 6.696 -52.147 5.498 1.00 73.22 H new ATOM 0 HE ARG A 67 7.844 -50.739 7.736 1.00 73.20 H new ATOM 0 HH11 ARG A 67 5.031 -52.631 6.751 1.00 32.14 H new ATOM 0 HH12 ARG A 67 4.711 -53.222 8.385 1.00 32.14 H new ATOM 0 HH21 ARG A 67 7.426 -51.501 9.833 1.00 73.23 H new ATOM 0 HH22 ARG A 67 6.062 -52.585 10.123 1.00 73.23 H new ATOM 1002 N LEU A 68 6.930 -47.920 6.990 1.00 1.04 N ATOM 1003 CA LEU A 68 7.595 -47.253 8.105 1.00 61.34 C ATOM 1004 C LEU A 68 8.281 -48.267 9.015 1.00 73.10 C ATOM 1005 O LEU A 68 7.642 -49.181 9.536 1.00 74.53 O ATOM 1006 CB LEU A 68 6.586 -46.430 8.907 1.00 4.04 C ATOM 1007 CG LEU A 68 7.125 -45.751 10.167 1.00 23.11 C ATOM 1008 CD1 LEU A 68 7.121 -46.720 11.339 1.00 15.13 C ATOM 1009 CD2 LEU A 68 8.527 -45.212 9.924 1.00 5.01 C ATOM 0 H LEU A 68 6.286 -48.661 7.266 1.00 1.04 H new ATOM 0 HA LEU A 68 8.355 -46.587 7.697 1.00 61.34 H new ATOM 0 HB2 LEU A 68 6.172 -45.662 8.253 1.00 4.04 H new ATOM 0 HB3 LEU A 68 5.761 -47.082 9.194 1.00 4.04 H new ATOM 0 HG LEU A 68 6.472 -44.913 10.412 1.00 23.11 H new ATOM 0 HD11 LEU A 68 7.508 -46.219 12.226 1.00 15.13 H new ATOM 0 HD12 LEU A 68 6.102 -47.058 11.528 1.00 15.13 H new ATOM 0 HD13 LEU A 68 7.750 -47.578 11.104 1.00 15.13 H new ATOM 0 HD21 LEU A 68 8.895 -44.732 10.831 1.00 5.01 H new ATOM 0 HD22 LEU A 68 9.191 -46.033 9.653 1.00 5.01 H new ATOM 0 HD23 LEU A 68 8.501 -44.484 9.113 1.00 5.01 H new ATOM 1021 N VAL A 69 9.585 -48.097 9.204 1.00 24.54 N ATOM 1022 CA VAL A 69 10.358 -48.995 10.055 1.00 74.42 C ATOM 1023 C VAL A 69 11.380 -48.225 10.883 1.00 54.32 C ATOM 1024 O VAL A 69 12.278 -47.584 10.338 1.00 71.31 O ATOM 1025 CB VAL A 69 11.089 -50.066 9.223 1.00 41.41 C ATOM 1026 CG1 VAL A 69 11.877 -49.418 8.094 1.00 21.33 C ATOM 1027 CG2 VAL A 69 12.001 -50.899 10.111 1.00 74.00 C ATOM 0 H VAL A 69 10.129 -47.346 8.780 1.00 24.54 H new ATOM 0 HA VAL A 69 9.650 -49.485 10.723 1.00 74.42 H new ATOM 0 HB VAL A 69 10.345 -50.729 8.781 1.00 41.41 H new ATOM 0 HG11 VAL A 69 12.387 -50.189 7.517 1.00 21.33 H new ATOM 0 HG12 VAL A 69 11.196 -48.869 7.444 1.00 21.33 H new ATOM 0 HG13 VAL A 69 12.613 -48.731 8.512 1.00 21.33 H new ATOM 0 HG21 VAL A 69 12.509 -51.651 9.507 1.00 74.00 H new ATOM 0 HG22 VAL A 69 12.740 -50.251 10.583 1.00 74.00 H new ATOM 0 HG23 VAL A 69 11.408 -51.393 10.881 1.00 74.00 H new ATOM 1037 N GLU A 70 11.236 -48.292 12.203 1.00 52.03 N ATOM 1038 CA GLU A 70 12.147 -47.600 13.106 1.00 2.51 C ATOM 1039 C GLU A 70 12.062 -46.088 12.912 1.00 61.32 C ATOM 1040 O GLU A 70 13.023 -45.364 13.165 1.00 4.24 O ATOM 1041 CB GLU A 70 13.584 -48.074 12.879 1.00 41.22 C ATOM 1042 CG GLU A 70 13.720 -49.585 12.790 1.00 14.41 C ATOM 1043 CD GLU A 70 14.818 -50.125 13.685 1.00 71.42 C ATOM 1044 OE1 GLU A 70 14.593 -51.167 14.335 1.00 32.55 O ATOM 1045 OE2 GLU A 70 15.902 -49.507 13.735 1.00 75.12 O ATOM 0 H GLU A 70 10.498 -48.818 12.670 1.00 52.03 H new ATOM 0 HA GLU A 70 11.852 -47.835 14.129 1.00 2.51 H new ATOM 0 HB2 GLU A 70 13.963 -47.629 11.959 1.00 41.22 H new ATOM 0 HB3 GLU A 70 14.211 -47.709 13.692 1.00 41.22 H new ATOM 0 HG2 GLU A 70 12.772 -50.048 13.064 1.00 14.41 H new ATOM 0 HG3 GLU A 70 13.926 -49.867 11.758 1.00 14.41 H new ATOM 1052 N GLY A 71 10.903 -45.620 12.459 1.00 11.01 N ATOM 1053 CA GLY A 71 10.713 -44.198 12.237 1.00 32.54 C ATOM 1054 C GLY A 71 11.106 -43.772 10.837 1.00 73.52 C ATOM 1055 O GLY A 71 10.588 -42.785 10.313 1.00 21.41 O ATOM 0 H GLY A 71 10.092 -46.200 12.242 1.00 11.01 H new ATOM 0 HA2 GLY A 71 9.668 -43.943 12.411 1.00 32.54 H new ATOM 0 HA3 GLY A 71 11.303 -43.638 12.963 1.00 32.54 H new ATOM 1059 N ILE A 72 12.024 -44.517 10.229 1.00 12.54 N ATOM 1060 CA ILE A 72 12.486 -44.210 8.881 1.00 14.44 C ATOM 1061 C ILE A 72 11.482 -44.683 7.835 1.00 24.44 C ATOM 1062 O ILE A 72 11.256 -45.884 7.675 1.00 0.40 O ATOM 1063 CB ILE A 72 13.854 -44.856 8.594 1.00 13.02 C ATOM 1064 CG1 ILE A 72 14.903 -44.342 9.582 1.00 34.05 C ATOM 1065 CG2 ILE A 72 14.283 -44.573 7.162 1.00 2.35 C ATOM 1066 CD1 ILE A 72 15.509 -45.430 10.441 1.00 73.33 C ATOM 0 H ILE A 72 12.462 -45.337 10.649 1.00 12.54 H new ATOM 0 HA ILE A 72 12.586 -43.126 8.820 1.00 14.44 H new ATOM 0 HB ILE A 72 13.763 -45.935 8.719 1.00 13.02 H new ATOM 0 HG12 ILE A 72 15.698 -43.843 9.028 1.00 34.05 H new ATOM 0 HG13 ILE A 72 14.445 -43.593 10.228 1.00 34.05 H new ATOM 0 HG21 ILE A 72 15.252 -45.036 6.974 1.00 2.35 H new ATOM 0 HG22 ILE A 72 13.545 -44.984 6.473 1.00 2.35 H new ATOM 0 HG23 ILE A 72 14.360 -43.496 7.011 1.00 2.35 H new ATOM 0 HD11 ILE A 72 16.244 -44.993 11.117 1.00 73.33 H new ATOM 0 HD12 ILE A 72 14.724 -45.914 11.022 1.00 73.33 H new ATOM 0 HD13 ILE A 72 15.996 -46.168 9.804 1.00 73.33 H new ATOM 1078 N LEU A 73 10.885 -43.734 7.124 1.00 13.23 N ATOM 1079 CA LEU A 73 9.906 -44.054 6.091 1.00 40.53 C ATOM 1080 C LEU A 73 10.586 -44.649 4.862 1.00 3.31 C ATOM 1081 O LEU A 73 11.338 -43.967 4.165 1.00 64.24 O ATOM 1082 CB LEU A 73 9.123 -42.800 5.697 1.00 12.11 C ATOM 1083 CG LEU A 73 8.064 -42.329 6.695 1.00 61.01 C ATOM 1084 CD1 LEU A 73 7.065 -43.440 6.977 1.00 31.21 C ATOM 1085 CD2 LEU A 73 8.719 -41.858 7.985 1.00 24.01 C ATOM 0 H LEU A 73 11.061 -42.736 7.243 1.00 13.23 H new ATOM 0 HA LEU A 73 9.216 -44.794 6.496 1.00 40.53 H new ATOM 0 HB2 LEU A 73 9.832 -41.987 5.540 1.00 12.11 H new ATOM 0 HB3 LEU A 73 8.635 -42.986 4.740 1.00 12.11 H new ATOM 0 HG LEU A 73 7.527 -41.488 6.256 1.00 61.01 H new ATOM 0 HD11 LEU A 73 6.319 -43.087 7.689 1.00 31.21 H new ATOM 0 HD12 LEU A 73 6.572 -43.730 6.049 1.00 31.21 H new ATOM 0 HD13 LEU A 73 7.587 -44.301 7.395 1.00 31.21 H new ATOM 0 HD21 LEU A 73 7.951 -41.527 8.683 1.00 24.01 H new ATOM 0 HD22 LEU A 73 9.282 -42.679 8.428 1.00 24.01 H new ATOM 0 HD23 LEU A 73 9.394 -41.030 7.769 1.00 24.01 H new ATOM 1097 N HIS A 74 10.315 -45.924 4.601 1.00 5.34 N ATOM 1098 CA HIS A 74 10.899 -46.610 3.455 1.00 64.35 C ATOM 1099 C HIS A 74 10.083 -46.350 2.192 1.00 32.42 C ATOM 1100 O HIS A 74 8.863 -46.197 2.251 1.00 62.40 O ATOM 1101 CB HIS A 74 10.983 -48.113 3.722 1.00 72.45 C ATOM 1102 CG HIS A 74 12.324 -48.704 3.410 1.00 54.41 C ATOM 1103 ND1 HIS A 74 12.921 -48.601 2.171 1.00 25.45 N ATOM 1104 CD2 HIS A 74 13.184 -49.404 4.185 1.00 63.22 C ATOM 1105 CE1 HIS A 74 14.091 -49.215 2.198 1.00 70.24 C ATOM 1106 NE2 HIS A 74 14.275 -49.711 3.408 1.00 14.42 N ATOM 0 H HIS A 74 9.695 -46.502 5.168 1.00 5.34 H new ATOM 0 HA HIS A 74 11.905 -46.219 3.303 1.00 64.35 H new ATOM 0 HB2 HIS A 74 10.747 -48.301 4.769 1.00 72.45 H new ATOM 0 HB3 HIS A 74 10.224 -48.622 3.128 1.00 72.45 H new ATOM 0 HD2 HIS A 74 13.040 -49.672 5.221 1.00 63.22 H new ATOM 0 HE1 HIS A 74 14.780 -49.297 1.370 1.00 70.24 H new ATOM 0 HE2 HIS A 74 15.093 -50.236 3.716 1.00 14.42 H new ATOM 1114 N ALA A 75 10.764 -46.301 1.052 1.00 21.02 N ATOM 1115 CA ALA A 75 10.102 -46.061 -0.224 1.00 12.12 C ATOM 1116 C ALA A 75 9.794 -47.373 -0.938 1.00 44.42 C ATOM 1117 O ALA A 75 10.431 -48.400 -0.702 1.00 15.10 O ATOM 1118 CB ALA A 75 10.962 -45.167 -1.105 1.00 13.22 C ATOM 0 H ALA A 75 11.774 -46.424 0.986 1.00 21.02 H new ATOM 0 HA ALA A 75 9.157 -45.555 -0.026 1.00 12.12 H new ATOM 0 HB1 ALA A 75 10.455 -44.996 -2.055 1.00 13.22 H new ATOM 0 HB2 ALA A 75 11.126 -44.213 -0.605 1.00 13.22 H new ATOM 0 HB3 ALA A 75 11.922 -45.651 -1.288 1.00 13.22 H new ATOM 1124 N PRO A 76 8.796 -47.340 -1.833 1.00 34.12 N ATOM 1125 CA PRO A 76 8.381 -48.519 -2.600 1.00 2.32 C ATOM 1126 C PRO A 76 9.424 -48.934 -3.632 1.00 75.42 C ATOM 1127 O PRO A 76 10.520 -48.377 -3.680 1.00 42.13 O ATOM 1128 CB PRO A 76 7.097 -48.057 -3.293 1.00 34.34 C ATOM 1129 CG PRO A 76 7.228 -46.576 -3.387 1.00 32.35 C ATOM 1130 CD PRO A 76 7.994 -46.150 -2.165 1.00 62.20 C ATOM 0 HA PRO A 76 8.247 -49.394 -1.964 1.00 2.32 H new ATOM 0 HB2 PRO A 76 6.995 -48.509 -4.280 1.00 34.34 H new ATOM 0 HB3 PRO A 76 6.214 -48.341 -2.720 1.00 34.34 H new ATOM 0 HG2 PRO A 76 7.754 -46.288 -4.297 1.00 32.35 H new ATOM 0 HG3 PRO A 76 6.249 -46.099 -3.420 1.00 32.35 H new ATOM 0 HD2 PRO A 76 8.624 -45.284 -2.368 1.00 62.20 H new ATOM 0 HD3 PRO A 76 7.327 -45.874 -1.348 1.00 62.20 H new ATOM 1138 N ASP A 77 9.074 -49.916 -4.457 1.00 2.25 N ATOM 1139 CA ASP A 77 9.980 -50.405 -5.490 1.00 35.13 C ATOM 1140 C ASP A 77 9.993 -49.464 -6.690 1.00 62.14 C ATOM 1141 O ASP A 77 10.727 -49.682 -7.654 1.00 3.13 O ATOM 1142 CB ASP A 77 9.570 -51.811 -5.932 1.00 43.24 C ATOM 1143 CG ASP A 77 10.574 -52.866 -5.510 1.00 51.23 C ATOM 1144 OD1 ASP A 77 10.824 -53.798 -6.303 1.00 61.11 O ATOM 1145 OD2 ASP A 77 11.110 -52.759 -4.388 1.00 11.23 O ATOM 0 H ASP A 77 8.170 -50.388 -4.430 1.00 2.25 H new ATOM 0 HA ASP A 77 10.985 -50.443 -5.070 1.00 35.13 H new ATOM 0 HB2 ASP A 77 8.595 -52.052 -5.509 1.00 43.24 H new ATOM 0 HB3 ASP A 77 9.461 -51.831 -7.016 1.00 43.24 H new ATOM 1150 N ALA A 78 9.176 -48.418 -6.625 1.00 72.34 N ATOM 1151 CA ALA A 78 9.095 -47.444 -7.706 1.00 53.23 C ATOM 1152 C ALA A 78 9.714 -46.113 -7.293 1.00 63.14 C ATOM 1153 O ALA A 78 10.186 -45.349 -8.135 1.00 31.24 O ATOM 1154 CB ALA A 78 7.647 -47.245 -8.130 1.00 70.23 C ATOM 0 H ALA A 78 8.561 -48.224 -5.835 1.00 72.34 H new ATOM 0 HA ALA A 78 9.661 -47.831 -8.553 1.00 53.23 H new ATOM 0 HB1 ALA A 78 7.602 -46.515 -8.938 1.00 70.23 H new ATOM 0 HB2 ALA A 78 7.235 -48.194 -8.474 1.00 70.23 H new ATOM 0 HB3 ALA A 78 7.066 -46.884 -7.282 1.00 70.23 H new ATOM 1160 N GLY A 79 9.709 -45.841 -5.992 1.00 21.42 N ATOM 1161 CA GLY A 79 10.273 -44.602 -5.491 1.00 12.45 C ATOM 1162 C GLY A 79 9.234 -43.719 -4.826 1.00 63.35 C ATOM 1163 O GLY A 79 8.063 -44.087 -4.738 1.00 31.20 O ATOM 0 H GLY A 79 9.324 -46.457 -5.276 1.00 21.42 H new ATOM 0 HA2 GLY A 79 11.064 -44.829 -4.776 1.00 12.45 H new ATOM 0 HA3 GLY A 79 10.735 -44.057 -6.315 1.00 12.45 H new ATOM 1167 N TRP A 80 9.664 -42.554 -4.357 1.00 51.55 N ATOM 1168 CA TRP A 80 8.762 -41.617 -3.696 1.00 63.01 C ATOM 1169 C TRP A 80 7.777 -41.014 -4.692 1.00 25.23 C ATOM 1170 O TRP A 80 6.564 -41.144 -4.535 1.00 42.20 O ATOM 1171 CB TRP A 80 9.560 -40.505 -3.013 1.00 23.55 C ATOM 1172 CG TRP A 80 10.339 -40.979 -1.823 1.00 0.14 C ATOM 1173 CD1 TRP A 80 11.697 -40.968 -1.674 1.00 54.34 C ATOM 1174 CD2 TRP A 80 9.806 -41.535 -0.616 1.00 1.13 C ATOM 1175 NE1 TRP A 80 12.040 -41.483 -0.448 1.00 33.42 N ATOM 1176 CE2 TRP A 80 10.898 -41.838 0.221 1.00 1.21 C ATOM 1177 CE3 TRP A 80 8.513 -41.804 -0.159 1.00 61.44 C ATOM 1178 CZ2 TRP A 80 10.734 -42.397 1.485 1.00 31.24 C ATOM 1179 CZ3 TRP A 80 8.352 -42.360 1.096 1.00 52.15 C ATOM 1180 CH2 TRP A 80 9.457 -42.651 1.907 1.00 51.24 C ATOM 0 H TRP A 80 10.631 -42.235 -4.422 1.00 51.55 H new ATOM 0 HA TRP A 80 8.197 -42.166 -2.942 1.00 63.01 H new ATOM 0 HB2 TRP A 80 10.246 -40.064 -3.736 1.00 23.55 H new ATOM 0 HB3 TRP A 80 8.876 -39.716 -2.700 1.00 23.55 H new ATOM 0 HD1 TRP A 80 12.398 -40.607 -2.412 1.00 54.34 H new ATOM 0 HE1 TRP A 80 12.991 -41.585 -0.093 1.00 33.42 H new ATOM 0 HE3 TRP A 80 7.655 -41.581 -0.776 1.00 61.44 H new ATOM 0 HZ2 TRP A 80 11.585 -42.622 2.111 1.00 31.24 H new ATOM 0 HZ3 TRP A 80 7.357 -42.574 1.458 1.00 52.15 H new ATOM 0 HH2 TRP A 80 9.298 -43.084 2.884 1.00 51.24 H new ATOM 1191 N GLY A 81 8.308 -40.354 -5.717 1.00 71.41 N ATOM 1192 CA GLY A 81 7.460 -39.742 -6.723 1.00 44.42 C ATOM 1193 C GLY A 81 6.973 -38.366 -6.312 1.00 24.43 C ATOM 1194 O GLY A 81 7.513 -37.761 -5.387 1.00 43.41 O ATOM 0 H GLY A 81 9.309 -40.232 -5.868 1.00 71.41 H new ATOM 0 HA2 GLY A 81 8.011 -39.664 -7.660 1.00 44.42 H new ATOM 0 HA3 GLY A 81 6.601 -40.387 -6.911 1.00 44.42 H new ATOM 1198 N ASN A 82 5.951 -37.872 -7.001 1.00 54.44 N ATOM 1199 CA ASN A 82 5.392 -36.558 -6.704 1.00 3.43 C ATOM 1200 C ASN A 82 3.882 -36.641 -6.505 1.00 10.33 C ATOM 1201 O ASN A 82 3.148 -35.713 -6.848 1.00 35.25 O ATOM 1202 CB ASN A 82 5.716 -35.576 -7.831 1.00 42.53 C ATOM 1203 CG ASN A 82 7.077 -35.833 -8.449 1.00 41.20 C ATOM 1204 OD1 ASN A 82 8.094 -35.965 -7.605 1.00 51.42 O flip ATOM 1205 ND2 ASN A 82 7.212 -35.912 -9.670 1.00 60.44 N flip ATOM 0 H ASN A 82 5.492 -38.361 -7.769 1.00 54.44 H new ATOM 0 HA ASN A 82 5.843 -36.200 -5.779 1.00 3.43 H new ATOM 0 HB2 ASN A 82 4.950 -35.648 -8.603 1.00 42.53 H new ATOM 0 HB3 ASN A 82 5.683 -34.558 -7.443 1.00 42.53 H new ATOM 0 HD21 ASN A 82 6.402 -35.804 -10.281 1.00 60.44 H new ATOM 0 HD22 ASN A 82 8.134 -36.085 -10.071 1.00 60.44 H new ATOM 1212 N LEU A 83 3.425 -37.757 -5.948 1.00 52.12 N ATOM 1213 CA LEU A 83 2.002 -37.962 -5.702 1.00 55.22 C ATOM 1214 C LEU A 83 1.604 -37.429 -4.329 1.00 51.25 C ATOM 1215 O LEU A 83 2.421 -36.842 -3.619 1.00 75.22 O ATOM 1216 CB LEU A 83 1.655 -39.448 -5.805 1.00 31.22 C ATOM 1217 CG LEU A 83 2.613 -40.411 -5.102 1.00 40.23 C ATOM 1218 CD1 LEU A 83 3.811 -40.713 -5.989 1.00 4.24 C ATOM 1219 CD2 LEU A 83 3.065 -39.834 -3.769 1.00 24.44 C ATOM 0 H LEU A 83 4.019 -38.534 -5.658 1.00 52.12 H new ATOM 0 HA LEU A 83 1.445 -37.412 -6.460 1.00 55.22 H new ATOM 0 HB2 LEU A 83 0.656 -39.597 -5.395 1.00 31.22 H new ATOM 0 HB3 LEU A 83 1.610 -39.718 -6.860 1.00 31.22 H new ATOM 0 HG LEU A 83 2.085 -41.345 -4.910 1.00 40.23 H new ATOM 0 HD11 LEU A 83 4.482 -41.400 -5.473 1.00 4.24 H new ATOM 0 HD12 LEU A 83 3.470 -41.169 -6.918 1.00 4.24 H new ATOM 0 HD13 LEU A 83 4.341 -39.787 -6.212 1.00 4.24 H new ATOM 0 HD21 LEU A 83 3.746 -40.532 -3.282 1.00 24.44 H new ATOM 0 HD22 LEU A 83 3.576 -38.886 -3.937 1.00 24.44 H new ATOM 0 HD23 LEU A 83 2.197 -39.670 -3.131 1.00 24.44 H new ATOM 1231 N VAL A 84 0.344 -37.639 -3.961 1.00 1.21 N ATOM 1232 CA VAL A 84 -0.161 -37.183 -2.672 1.00 15.43 C ATOM 1233 C VAL A 84 -0.084 -38.291 -1.628 1.00 14.02 C ATOM 1234 O VAL A 84 -0.008 -39.472 -1.966 1.00 21.40 O ATOM 1235 CB VAL A 84 -1.619 -36.696 -2.781 1.00 4.53 C ATOM 1236 CG1 VAL A 84 -2.015 -35.914 -1.537 1.00 70.23 C ATOM 1237 CG2 VAL A 84 -1.806 -35.852 -4.033 1.00 3.03 C ATOM 0 H VAL A 84 -0.345 -38.122 -4.537 1.00 1.21 H new ATOM 0 HA VAL A 84 0.471 -36.351 -2.361 1.00 15.43 H new ATOM 0 HB VAL A 84 -2.270 -37.567 -2.857 1.00 4.53 H new ATOM 0 HG11 VAL A 84 -3.048 -35.578 -1.632 1.00 70.23 H new ATOM 0 HG12 VAL A 84 -1.921 -36.554 -0.660 1.00 70.23 H new ATOM 0 HG13 VAL A 84 -1.361 -35.049 -1.427 1.00 70.23 H new ATOM 0 HG21 VAL A 84 -2.841 -35.516 -4.094 1.00 3.03 H new ATOM 0 HG22 VAL A 84 -1.146 -34.986 -3.990 1.00 3.03 H new ATOM 0 HG23 VAL A 84 -1.565 -36.448 -4.913 1.00 3.03 H new ATOM 1247 N TYR A 85 -0.106 -37.902 -0.358 1.00 24.32 N ATOM 1248 CA TYR A 85 -0.036 -38.863 0.737 1.00 52.02 C ATOM 1249 C TYR A 85 -1.088 -38.556 1.799 1.00 45.32 C ATOM 1250 O TYR A 85 -1.431 -37.397 2.032 1.00 2.35 O ATOM 1251 CB TYR A 85 1.358 -38.852 1.365 1.00 2.24 C ATOM 1252 CG TYR A 85 1.447 -38.024 2.628 1.00 51.05 C ATOM 1253 CD1 TYR A 85 1.037 -38.541 3.851 1.00 44.23 C ATOM 1254 CD2 TYR A 85 1.939 -36.725 2.597 1.00 31.00 C ATOM 1255 CE1 TYR A 85 1.116 -37.788 5.006 1.00 32.04 C ATOM 1256 CE2 TYR A 85 2.022 -35.966 3.748 1.00 43.41 C ATOM 1257 CZ TYR A 85 1.609 -36.501 4.950 1.00 64.30 C ATOM 1258 OH TYR A 85 1.690 -35.747 6.098 1.00 34.54 O ATOM 0 H TYR A 85 -0.172 -36.928 -0.061 1.00 24.32 H new ATOM 0 HA TYR A 85 -0.235 -39.854 0.330 1.00 52.02 H new ATOM 0 HB2 TYR A 85 1.654 -39.877 1.591 1.00 2.24 H new ATOM 0 HB3 TYR A 85 2.072 -38.467 0.637 1.00 2.24 H new ATOM 0 HD1 TYR A 85 0.650 -39.548 3.899 1.00 44.23 H new ATOM 0 HD2 TYR A 85 2.262 -36.302 1.657 1.00 31.00 H new ATOM 0 HE1 TYR A 85 0.793 -38.205 5.949 1.00 32.04 H new ATOM 0 HE2 TYR A 85 2.408 -34.958 3.707 1.00 43.41 H new ATOM 0 HH TYR A 85 2.398 -35.077 6.000 1.00 34.54 H new ATOM 1268 N VAL A 86 -1.595 -39.603 2.440 1.00 31.53 N ATOM 1269 CA VAL A 86 -2.606 -39.448 3.479 1.00 11.42 C ATOM 1270 C VAL A 86 -2.028 -39.748 4.858 1.00 73.03 C ATOM 1271 O VAL A 86 -1.431 -40.802 5.076 1.00 31.23 O ATOM 1272 CB VAL A 86 -3.815 -40.369 3.229 1.00 24.22 C ATOM 1273 CG1 VAL A 86 -4.804 -40.278 4.381 1.00 5.33 C ATOM 1274 CG2 VAL A 86 -4.486 -40.020 1.910 1.00 55.11 C ATOM 0 H VAL A 86 -1.322 -40.569 2.258 1.00 31.53 H new ATOM 0 HA VAL A 86 -2.937 -38.410 3.445 1.00 11.42 H new ATOM 0 HB VAL A 86 -3.460 -41.398 3.168 1.00 24.22 H new ATOM 0 HG11 VAL A 86 -5.651 -40.936 4.186 1.00 5.33 H new ATOM 0 HG12 VAL A 86 -4.314 -40.582 5.306 1.00 5.33 H new ATOM 0 HG13 VAL A 86 -5.157 -39.251 4.478 1.00 5.33 H new ATOM 0 HG21 VAL A 86 -5.338 -40.680 1.749 1.00 55.11 H new ATOM 0 HG22 VAL A 86 -4.829 -38.986 1.939 1.00 55.11 H new ATOM 0 HG23 VAL A 86 -3.773 -40.143 1.095 1.00 55.11 H new ATOM 1284 N VAL A 87 -2.211 -38.814 5.786 1.00 25.21 N ATOM 1285 CA VAL A 87 -1.709 -38.979 7.145 1.00 21.21 C ATOM 1286 C VAL A 87 -2.376 -40.163 7.837 1.00 4.21 C ATOM 1287 O VAL A 87 -3.483 -40.561 7.479 1.00 52.31 O ATOM 1288 CB VAL A 87 -1.940 -37.710 7.987 1.00 41.15 C ATOM 1289 CG1 VAL A 87 -1.150 -37.779 9.285 1.00 50.44 C ATOM 1290 CG2 VAL A 87 -1.567 -36.468 7.191 1.00 65.43 C ATOM 0 H VAL A 87 -2.703 -37.936 5.622 1.00 25.21 H new ATOM 0 HA VAL A 87 -0.638 -39.164 7.066 1.00 21.21 H new ATOM 0 HB VAL A 87 -2.999 -37.649 8.238 1.00 41.15 H new ATOM 0 HG11 VAL A 87 -1.326 -36.874 9.866 1.00 50.44 H new ATOM 0 HG12 VAL A 87 -1.470 -38.648 9.860 1.00 50.44 H new ATOM 0 HG13 VAL A 87 -0.087 -37.865 9.060 1.00 50.44 H new ATOM 0 HG21 VAL A 87 -1.736 -35.581 7.801 1.00 65.43 H new ATOM 0 HG22 VAL A 87 -0.515 -36.519 6.909 1.00 65.43 H new ATOM 0 HG23 VAL A 87 -2.182 -36.413 6.293 1.00 65.43 H new ATOM 1300 N ASN A 88 -1.693 -40.721 8.831 1.00 21.24 N ATOM 1301 CA ASN A 88 -2.219 -41.860 9.575 1.00 71.34 C ATOM 1302 C ASN A 88 -1.799 -41.795 11.040 1.00 51.31 C ATOM 1303 O ASN A 88 -0.731 -42.280 11.413 1.00 61.54 O ATOM 1304 CB ASN A 88 -1.734 -43.171 8.951 1.00 3.45 C ATOM 1305 CG ASN A 88 -2.561 -44.362 9.393 1.00 32.31 C ATOM 1306 OD1 ASN A 88 -3.767 -44.247 9.613 1.00 20.44 O ATOM 1307 ND2 ASN A 88 -1.915 -45.515 9.525 1.00 50.12 N ATOM 0 H ASN A 88 -0.774 -40.403 9.140 1.00 21.24 H new ATOM 0 HA ASN A 88 -3.307 -41.822 9.526 1.00 71.34 H new ATOM 0 HB2 ASN A 88 -1.772 -43.089 7.865 1.00 3.45 H new ATOM 0 HB3 ASN A 88 -0.691 -43.335 9.222 1.00 3.45 H new ATOM 0 HD21 ASN A 88 -2.419 -46.351 9.819 1.00 50.12 H new ATOM 0 HD22 ASN A 88 -0.915 -45.564 9.332 1.00 50.12 H new ATOM 1314 N TYR A 89 -2.647 -41.192 11.866 1.00 44.31 N ATOM 1315 CA TYR A 89 -2.363 -41.061 13.290 1.00 11.32 C ATOM 1316 C TYR A 89 -3.543 -40.431 14.025 1.00 62.31 C ATOM 1317 O TYR A 89 -4.349 -39.701 13.448 1.00 61.43 O ATOM 1318 CB TYR A 89 -1.105 -40.218 13.506 1.00 52.42 C ATOM 1319 CG TYR A 89 -1.364 -38.728 13.490 1.00 74.14 C ATOM 1320 CD1 TYR A 89 -0.868 -37.906 14.494 1.00 44.14 C ATOM 1321 CD2 TYR A 89 -2.107 -38.143 12.471 1.00 24.03 C ATOM 1322 CE1 TYR A 89 -1.102 -36.545 14.484 1.00 54.55 C ATOM 1323 CE2 TYR A 89 -2.345 -36.783 12.452 1.00 11.53 C ATOM 1324 CZ TYR A 89 -1.841 -35.988 13.461 1.00 52.44 C ATOM 1325 OH TYR A 89 -2.078 -34.632 13.446 1.00 22.10 O ATOM 0 H TYR A 89 -3.536 -40.786 11.574 1.00 44.31 H new ATOM 0 HA TYR A 89 -2.197 -42.059 13.694 1.00 11.32 H new ATOM 0 HB2 TYR A 89 -0.655 -40.490 14.461 1.00 52.42 H new ATOM 0 HB3 TYR A 89 -0.378 -40.460 12.731 1.00 52.42 H new ATOM 0 HD1 TYR A 89 -0.289 -38.339 15.296 1.00 44.14 H new ATOM 0 HD2 TYR A 89 -2.505 -38.763 11.681 1.00 24.03 H new ATOM 0 HE1 TYR A 89 -0.709 -35.920 15.272 1.00 54.55 H new ATOM 0 HE2 TYR A 89 -2.922 -36.344 11.652 1.00 11.53 H new ATOM 0 HH TYR A 89 -2.613 -34.402 12.658 1.00 22.10 H new ATOM 1335 N PRO A 90 -3.647 -40.720 15.331 1.00 51.33 N ATOM 1336 CA PRO A 90 -4.724 -40.192 16.174 1.00 5.13 C ATOM 1337 C PRO A 90 -4.588 -38.692 16.416 1.00 33.40 C ATOM 1338 O PRO A 90 -3.758 -38.026 15.798 1.00 1.42 O ATOM 1339 CB PRO A 90 -4.556 -40.962 17.486 1.00 22.34 C ATOM 1340 CG PRO A 90 -3.118 -41.351 17.516 1.00 31.42 C ATOM 1341 CD PRO A 90 -2.722 -41.583 16.084 1.00 0.31 C ATOM 0 HA PRO A 90 -5.703 -40.318 15.712 1.00 5.13 H new ATOM 0 HB2 PRO A 90 -4.817 -40.343 18.344 1.00 22.34 H new ATOM 0 HB3 PRO A 90 -5.204 -41.838 17.517 1.00 22.34 H new ATOM 0 HG2 PRO A 90 -2.511 -40.566 17.967 1.00 31.42 H new ATOM 0 HG3 PRO A 90 -2.970 -42.251 18.113 1.00 31.42 H new ATOM 0 HD2 PRO A 90 -1.682 -41.310 15.905 1.00 0.31 H new ATOM 0 HD3 PRO A 90 -2.830 -42.630 15.802 1.00 0.31 H new ATOM 1349 N LYS A 91 -5.409 -38.167 17.319 1.00 74.00 N ATOM 1350 CA LYS A 91 -5.381 -36.746 17.644 1.00 30.05 C ATOM 1351 C LYS A 91 -3.973 -36.304 18.030 1.00 62.12 C ATOM 1352 O LYS A 91 -3.290 -35.632 17.257 1.00 65.53 O ATOM 1353 CB LYS A 91 -6.352 -36.444 18.788 1.00 74.22 C ATOM 1354 CG LYS A 91 -6.328 -34.994 19.240 1.00 72.32 C ATOM 1355 CD LYS A 91 -7.449 -34.698 20.222 1.00 50.41 C ATOM 1356 CE LYS A 91 -7.883 -33.242 20.149 1.00 54.23 C ATOM 1357 NZ LYS A 91 -8.290 -32.716 21.482 1.00 62.55 N ATOM 0 H LYS A 91 -6.102 -38.705 17.839 1.00 74.00 H new ATOM 0 HA LYS A 91 -5.688 -36.190 16.758 1.00 30.05 H new ATOM 0 HB2 LYS A 91 -7.363 -36.701 18.472 1.00 74.22 H new ATOM 0 HB3 LYS A 91 -6.111 -37.084 19.637 1.00 74.22 H new ATOM 0 HG2 LYS A 91 -5.367 -34.773 19.705 1.00 72.32 H new ATOM 0 HG3 LYS A 91 -6.420 -34.340 18.373 1.00 72.32 H new ATOM 0 HD2 LYS A 91 -8.301 -35.344 20.009 1.00 50.41 H new ATOM 0 HD3 LYS A 91 -7.118 -34.930 21.234 1.00 50.41 H new ATOM 0 HE2 LYS A 91 -7.065 -32.639 19.755 1.00 54.23 H new ATOM 0 HE3 LYS A 91 -8.715 -33.146 19.451 1.00 54.23 H new ATOM 0 HZ1 LYS A 91 -8.579 -31.721 21.389 1.00 62.55 H new ATOM 0 HZ2 LYS A 91 -9.087 -33.275 21.847 1.00 62.55 H new ATOM 0 HZ3 LYS A 91 -7.489 -32.784 22.141 1.00 62.55 H new ATOM 1371 N ASP A 92 -3.545 -36.686 19.228 1.00 61.31 N ATOM 1372 CA ASP A 92 -2.217 -36.331 19.714 1.00 23.54 C ATOM 1373 C ASP A 92 -2.007 -34.821 19.669 1.00 30.12 C ATOM 1374 O ASP A 92 -2.940 -34.063 19.411 1.00 14.40 O ATOM 1375 CB ASP A 92 -1.142 -37.033 18.883 1.00 25.33 C ATOM 1376 CG ASP A 92 -0.007 -37.567 19.736 1.00 34.20 C ATOM 1377 OD1 ASP A 92 -0.167 -38.660 20.319 1.00 63.41 O ATOM 1378 OD2 ASP A 92 1.040 -36.892 19.820 1.00 72.42 O ATOM 0 H ASP A 92 -4.098 -37.241 19.880 1.00 61.31 H new ATOM 0 HA ASP A 92 -2.137 -36.660 20.750 1.00 23.54 H new ATOM 0 HB2 ASP A 92 -1.595 -37.856 18.329 1.00 25.33 H new ATOM 0 HB3 ASP A 92 -0.742 -36.335 18.147 1.00 25.33 H new ATOM 1383 N ASN A 93 -0.775 -34.392 19.923 1.00 30.04 N ATOM 1384 CA ASN A 93 -0.443 -32.972 19.913 1.00 10.14 C ATOM 1385 C ASN A 93 -1.215 -32.225 20.996 1.00 35.15 C ATOM 1386 O ASN A 93 -2.338 -31.771 20.773 1.00 2.43 O ATOM 1387 CB ASN A 93 -0.749 -32.365 18.543 1.00 70.04 C ATOM 1388 CG ASN A 93 0.498 -32.187 17.698 1.00 52.12 C ATOM 1389 OD1 ASN A 93 0.702 -32.900 16.715 1.00 5.14 O ATOM 1390 ND2 ASN A 93 1.338 -31.232 18.078 1.00 3.31 N ATOM 0 H ASN A 93 0.010 -35.007 20.138 1.00 30.04 H new ATOM 0 HA ASN A 93 0.623 -32.873 20.117 1.00 10.14 H new ATOM 0 HB2 ASN A 93 -1.455 -33.006 18.014 1.00 70.04 H new ATOM 0 HB3 ASN A 93 -1.235 -31.398 18.677 1.00 70.04 H new ATOM 0 HD21 ASN A 93 2.194 -31.065 17.548 1.00 3.31 H new ATOM 0 HD22 ASN A 93 1.128 -30.665 18.900 1.00 3.31 H new ATOM 1397 N LYS A 94 -0.607 -32.101 22.171 1.00 65.21 N ATOM 1398 CA LYS A 94 -1.234 -31.408 23.290 1.00 74.14 C ATOM 1399 C LYS A 94 -0.189 -30.703 24.148 1.00 15.04 C ATOM 1400 O LYS A 94 0.160 -31.176 25.230 1.00 45.12 O ATOM 1401 CB LYS A 94 -2.031 -32.395 24.145 1.00 34.33 C ATOM 1402 CG LYS A 94 -3.487 -32.522 23.731 1.00 71.44 C ATOM 1403 CD LYS A 94 -4.098 -33.822 24.229 1.00 5.52 C ATOM 1404 CE LYS A 94 -5.075 -33.577 25.368 1.00 13.13 C ATOM 1405 NZ LYS A 94 -5.290 -34.802 26.188 1.00 41.42 N ATOM 0 H LYS A 94 0.321 -32.472 22.373 1.00 65.21 H new ATOM 0 HA LYS A 94 -1.912 -30.657 22.886 1.00 74.14 H new ATOM 0 HB2 LYS A 94 -1.559 -33.376 24.088 1.00 34.33 H new ATOM 0 HB3 LYS A 94 -1.985 -32.079 25.187 1.00 34.33 H new ATOM 0 HG2 LYS A 94 -4.053 -31.678 24.126 1.00 71.44 H new ATOM 0 HG3 LYS A 94 -3.562 -32.476 22.645 1.00 71.44 H new ATOM 0 HD2 LYS A 94 -4.612 -34.322 23.408 1.00 5.52 H new ATOM 0 HD3 LYS A 94 -3.307 -34.492 24.565 1.00 5.52 H new ATOM 0 HE2 LYS A 94 -4.698 -32.776 26.004 1.00 13.13 H new ATOM 0 HE3 LYS A 94 -6.029 -33.240 24.962 1.00 13.13 H new ATOM 0 HZ1 LYS A 94 -5.962 -34.594 26.954 1.00 41.42 H new ATOM 0 HZ2 LYS A 94 -5.674 -35.559 25.587 1.00 41.42 H new ATOM 0 HZ3 LYS A 94 -4.384 -35.110 26.596 1.00 41.42 H new ATOM 1419 N ARG A 95 0.304 -29.569 23.660 1.00 32.54 N ATOM 1420 CA ARG A 95 1.308 -28.799 24.384 1.00 63.41 C ATOM 1421 C ARG A 95 0.889 -27.337 24.506 1.00 71.42 C ATOM 1422 O ARG A 95 0.790 -26.798 25.608 1.00 31.22 O ATOM 1423 CB ARG A 95 2.662 -28.896 23.677 1.00 12.44 C ATOM 1424 CG ARG A 95 3.755 -28.076 24.342 1.00 4.41 C ATOM 1425 CD ARG A 95 5.053 -28.132 23.551 1.00 53.54 C ATOM 1426 NE ARG A 95 5.739 -26.842 23.532 1.00 35.31 N ATOM 1427 CZ ARG A 95 6.874 -26.623 22.878 1.00 20.35 C ATOM 1428 NH1 ARG A 95 7.448 -27.603 22.193 1.00 12.51 N ATOM 1429 NH2 ARG A 95 7.438 -25.422 22.909 1.00 34.41 N ATOM 0 H ARG A 95 0.024 -29.164 22.767 1.00 32.54 H new ATOM 0 HA ARG A 95 1.398 -29.217 25.387 1.00 63.41 H new ATOM 0 HB2 ARG A 95 2.972 -29.941 23.645 1.00 12.44 H new ATOM 0 HB3 ARG A 95 2.548 -28.565 22.645 1.00 12.44 H new ATOM 0 HG2 ARG A 95 3.429 -27.040 24.435 1.00 4.41 H new ATOM 0 HG3 ARG A 95 3.927 -28.448 25.352 1.00 4.41 H new ATOM 0 HD2 ARG A 95 5.710 -28.886 23.985 1.00 53.54 H new ATOM 0 HD3 ARG A 95 4.841 -28.445 22.529 1.00 53.54 H new ATOM 0 HE ARG A 95 5.323 -26.067 24.049 1.00 35.31 H new ATOM 0 HH11 ARG A 95 7.018 -28.527 22.168 1.00 12.51 H new ATOM 0 HH12 ARG A 95 8.320 -27.432 21.692 1.00 12.51 H new ATOM 0 HH21 ARG A 95 7.000 -24.666 23.435 1.00 34.41 H new ATOM 0 HH22 ARG A 95 8.310 -25.255 22.406 1.00 34.41 H new ATOM 1443 N LYS A 96 0.644 -26.701 23.366 1.00 52.44 N ATOM 1444 CA LYS A 96 0.234 -25.301 23.343 1.00 63.41 C ATOM 1445 C LYS A 96 -0.993 -25.079 24.221 1.00 72.43 C ATOM 1446 O LYS A 96 -2.082 -25.564 23.914 1.00 13.44 O ATOM 1447 CB LYS A 96 -0.065 -24.859 21.909 1.00 65.34 C ATOM 1448 CG LYS A 96 0.583 -23.538 21.532 1.00 70.01 C ATOM 1449 CD LYS A 96 0.444 -23.252 20.046 1.00 33.30 C ATOM 1450 CE LYS A 96 -0.990 -22.905 19.677 1.00 35.12 C ATOM 1451 NZ LYS A 96 -1.103 -21.526 19.126 1.00 32.22 N ATOM 0 H LYS A 96 0.722 -27.132 22.445 1.00 52.44 H new ATOM 0 HA LYS A 96 1.055 -24.702 23.738 1.00 63.41 H new ATOM 0 HB2 LYS A 96 0.278 -25.632 21.221 1.00 65.34 H new ATOM 0 HB3 LYS A 96 -1.144 -24.774 21.781 1.00 65.34 H new ATOM 0 HG2 LYS A 96 0.124 -22.731 22.103 1.00 70.01 H new ATOM 0 HG3 LYS A 96 1.639 -23.560 21.802 1.00 70.01 H new ATOM 0 HD2 LYS A 96 1.101 -22.428 19.770 1.00 33.30 H new ATOM 0 HD3 LYS A 96 0.767 -24.122 19.475 1.00 33.30 H new ATOM 0 HE2 LYS A 96 -1.359 -23.621 18.943 1.00 35.12 H new ATOM 0 HE3 LYS A 96 -1.624 -22.997 20.559 1.00 35.12 H new ATOM 0 HZ1 LYS A 96 -2.096 -21.328 18.887 1.00 32.22 H new ATOM 0 HZ2 LYS A 96 -0.774 -20.841 19.836 1.00 32.22 H new ATOM 0 HZ3 LYS A 96 -0.518 -21.445 18.270 1.00 32.22 H new ATOM 1465 N MET A 97 -0.809 -24.343 25.312 1.00 75.41 N ATOM 1466 CA MET A 97 -1.904 -24.055 26.232 1.00 25.51 C ATOM 1467 C MET A 97 -2.868 -23.039 25.629 1.00 4.43 C ATOM 1468 O MET A 97 -3.969 -23.389 25.206 1.00 14.13 O ATOM 1469 CB MET A 97 -1.356 -23.531 27.561 1.00 70.10 C ATOM 1470 CG MET A 97 -1.256 -24.597 28.640 1.00 21.10 C ATOM 1471 SD MET A 97 0.430 -25.192 28.875 1.00 41.33 S ATOM 1472 CE MET A 97 0.331 -25.840 30.541 1.00 24.52 C ATOM 0 H MET A 97 0.087 -23.935 25.581 1.00 75.41 H new ATOM 0 HA MET A 97 -2.448 -24.982 26.412 1.00 25.51 H new ATOM 0 HB2 MET A 97 -0.368 -23.102 27.393 1.00 70.10 H new ATOM 0 HB3 MET A 97 -1.998 -22.725 27.917 1.00 70.10 H new ATOM 0 HG2 MET A 97 -1.629 -24.192 29.581 1.00 21.10 H new ATOM 0 HG3 MET A 97 -1.900 -25.436 28.377 1.00 21.10 H new ATOM 0 HE1 MET A 97 1.300 -26.245 30.832 1.00 24.52 H new ATOM 0 HE2 MET A 97 0.052 -25.040 31.227 1.00 24.52 H new ATOM 0 HE3 MET A 97 -0.419 -26.630 30.580 1.00 24.52 H new ATOM 1482 N ASP A 98 -2.446 -21.779 25.594 1.00 60.43 N ATOM 1483 CA ASP A 98 -3.272 -20.712 25.042 1.00 51.22 C ATOM 1484 C ASP A 98 -2.449 -19.801 24.136 1.00 32.10 C ATOM 1485 O ASP A 98 -2.673 -19.746 22.927 1.00 30.43 O ATOM 1486 CB ASP A 98 -3.906 -19.894 26.168 1.00 4.04 C ATOM 1487 CG ASP A 98 -5.270 -20.420 26.569 1.00 41.21 C ATOM 1488 OD1 ASP A 98 -5.363 -21.089 27.619 1.00 33.14 O ATOM 1489 OD2 ASP A 98 -6.245 -20.161 25.832 1.00 25.44 O ATOM 0 H ASP A 98 -1.537 -21.472 25.941 1.00 60.43 H new ATOM 0 HA ASP A 98 -4.062 -21.169 24.446 1.00 51.22 H new ATOM 0 HB2 ASP A 98 -3.247 -19.904 27.036 1.00 4.04 H new ATOM 0 HB3 ASP A 98 -3.999 -18.855 25.850 1.00 4.04 H new ATOM 1494 N GLU A 99 -1.498 -19.087 24.730 1.00 64.53 N ATOM 1495 CA GLU A 99 -0.643 -18.178 23.976 1.00 52.33 C ATOM 1496 C GLU A 99 -1.473 -17.103 23.279 1.00 34.41 C ATOM 1497 O GLU A 99 -2.704 -17.125 23.325 1.00 62.40 O ATOM 1498 CB GLU A 99 0.178 -18.952 22.943 1.00 25.31 C ATOM 1499 CG GLU A 99 1.627 -18.502 22.856 1.00 40.10 C ATOM 1500 CD GLU A 99 2.034 -18.114 21.448 1.00 72.24 C ATOM 1501 OE1 GLU A 99 3.165 -18.455 21.042 1.00 31.24 O ATOM 1502 OE2 GLU A 99 1.222 -17.470 20.751 1.00 31.11 O ATOM 0 H GLU A 99 -1.300 -19.120 25.730 1.00 64.53 H new ATOM 0 HA GLU A 99 0.035 -17.692 24.678 1.00 52.33 H new ATOM 0 HB2 GLU A 99 0.150 -20.013 23.190 1.00 25.31 H new ATOM 0 HB3 GLU A 99 -0.288 -18.841 21.964 1.00 25.31 H new ATOM 0 HG2 GLU A 99 1.780 -17.652 23.522 1.00 40.10 H new ATOM 0 HG3 GLU A 99 2.275 -19.305 23.209 1.00 40.10 H new ATOM 1509 N THR A 100 -0.791 -16.162 22.634 1.00 72.22 N ATOM 1510 CA THR A 100 -1.464 -15.078 21.929 1.00 23.20 C ATOM 1511 C THR A 100 -1.742 -15.455 20.478 1.00 13.05 C ATOM 1512 O THR A 100 -0.945 -15.162 19.587 1.00 33.10 O ATOM 1513 CB THR A 100 -0.628 -13.784 21.960 1.00 34.41 C ATOM 1514 OG1 THR A 100 0.089 -13.694 23.196 1.00 11.01 O ATOM 1515 CG2 THR A 100 -1.518 -12.562 21.794 1.00 51.33 C ATOM 0 H THR A 100 0.227 -16.129 22.585 1.00 72.22 H new ATOM 0 HA THR A 100 -2.409 -14.904 22.444 1.00 23.20 H new ATOM 0 HB THR A 100 0.080 -13.814 21.132 1.00 34.41 H new ATOM 0 HG1 THR A 100 0.619 -12.870 23.207 1.00 11.01 H new ATOM 0 HG21 THR A 100 -0.906 -11.660 21.819 1.00 51.33 H new ATOM 0 HG22 THR A 100 -2.041 -12.620 20.839 1.00 51.33 H new ATOM 0 HG23 THR A 100 -2.246 -12.529 22.605 1.00 51.33 H new ATOM 1523 N ASP A 101 -2.878 -16.105 20.249 1.00 42.03 N ATOM 1524 CA ASP A 101 -3.263 -16.520 18.905 1.00 64.42 C ATOM 1525 C ASP A 101 -3.921 -15.371 18.148 1.00 14.05 C ATOM 1526 O ASP A 101 -5.094 -15.066 18.362 1.00 75.45 O ATOM 1527 CB ASP A 101 -4.214 -17.716 18.970 1.00 12.03 C ATOM 1528 CG ASP A 101 -4.859 -18.016 17.632 1.00 75.42 C ATOM 1529 OD1 ASP A 101 -6.073 -18.310 17.610 1.00 14.44 O ATOM 1530 OD2 ASP A 101 -4.151 -17.957 16.605 1.00 22.45 O ATOM 0 H ASP A 101 -3.548 -16.356 20.976 1.00 42.03 H new ATOM 0 HA ASP A 101 -2.360 -16.813 18.370 1.00 64.42 H new ATOM 0 HB2 ASP A 101 -3.666 -18.594 19.311 1.00 12.03 H new ATOM 0 HB3 ASP A 101 -4.991 -17.519 19.709 1.00 12.03 H new ATOM 1535 N ALA A 102 -3.158 -14.736 17.265 1.00 1.02 N ATOM 1536 CA ALA A 102 -3.668 -13.621 16.477 1.00 64.02 C ATOM 1537 C ALA A 102 -2.766 -13.338 15.280 1.00 54.13 C ATOM 1538 O ALA A 102 -1.943 -12.424 15.313 1.00 2.32 O ATOM 1539 CB ALA A 102 -3.801 -12.379 17.345 1.00 54.53 C ATOM 0 H ALA A 102 -2.184 -14.975 17.077 1.00 1.02 H new ATOM 0 HA ALA A 102 -4.653 -13.895 16.100 1.00 64.02 H new ATOM 0 HB1 ALA A 102 -4.183 -11.554 16.744 1.00 54.53 H new ATOM 0 HB2 ALA A 102 -4.491 -12.580 18.165 1.00 54.53 H new ATOM 0 HB3 ALA A 102 -2.825 -12.112 17.750 1.00 54.53 H new ATOM 1545 N SER A 103 -2.928 -14.128 14.223 1.00 22.23 N ATOM 1546 CA SER A 103 -2.125 -13.965 13.017 1.00 72.12 C ATOM 1547 C SER A 103 -3.006 -13.614 11.822 1.00 51.13 C ATOM 1548 O SER A 103 -4.225 -13.777 11.866 1.00 74.00 O ATOM 1549 CB SER A 103 -1.338 -15.244 12.726 1.00 44.01 C ATOM 1550 OG SER A 103 0.050 -15.046 12.933 1.00 63.41 O ATOM 0 H SER A 103 -3.608 -14.887 14.178 1.00 22.23 H new ATOM 0 HA SER A 103 -1.425 -13.146 13.184 1.00 72.12 H new ATOM 0 HB2 SER A 103 -1.694 -16.048 13.370 1.00 44.01 H new ATOM 0 HB3 SER A 103 -1.515 -15.557 11.697 1.00 44.01 H new ATOM 0 HG SER A 103 0.531 -15.878 12.742 1.00 63.41 H new ATOM 1556 N SER A 104 -2.379 -13.130 10.754 1.00 30.50 N ATOM 1557 CA SER A 104 -3.105 -12.752 9.547 1.00 21.03 C ATOM 1558 C SER A 104 -2.139 -12.378 8.427 1.00 70.50 C ATOM 1559 O SER A 104 -1.027 -11.916 8.680 1.00 51.32 O ATOM 1560 CB SER A 104 -4.044 -11.580 9.838 1.00 12.02 C ATOM 1561 OG SER A 104 -3.326 -10.458 10.321 1.00 24.34 O ATOM 0 H SER A 104 -1.370 -12.991 10.700 1.00 30.50 H new ATOM 0 HA SER A 104 -3.695 -13.610 9.223 1.00 21.03 H new ATOM 0 HB2 SER A 104 -4.583 -11.308 8.930 1.00 12.02 H new ATOM 0 HB3 SER A 104 -4.790 -11.882 10.573 1.00 12.02 H new ATOM 0 HG SER A 104 -3.949 -9.722 10.498 1.00 24.34 H new ATOM 1567 N ALA A 105 -2.573 -12.583 7.188 1.00 63.34 N ATOM 1568 CA ALA A 105 -1.749 -12.267 6.028 1.00 44.23 C ATOM 1569 C ALA A 105 -1.946 -10.819 5.593 1.00 42.51 C ATOM 1570 O ALA A 105 -3.072 -10.376 5.367 1.00 40.44 O ATOM 1571 CB ALA A 105 -2.068 -13.213 4.880 1.00 43.35 C ATOM 0 H ALA A 105 -3.491 -12.967 6.962 1.00 63.34 H new ATOM 0 HA ALA A 105 -0.704 -12.395 6.310 1.00 44.23 H new ATOM 0 HB1 ALA A 105 -1.445 -12.965 4.021 1.00 43.35 H new ATOM 0 HB2 ALA A 105 -1.869 -14.239 5.188 1.00 43.35 H new ATOM 0 HB3 ALA A 105 -3.119 -13.113 4.607 1.00 43.35 H new ATOM 1577 N VAL A 106 -0.844 -10.084 5.479 1.00 65.45 N ATOM 1578 CA VAL A 106 -0.896 -8.686 5.070 1.00 5.34 C ATOM 1579 C VAL A 106 -1.456 -8.545 3.659 1.00 24.44 C ATOM 1580 O VAL A 106 -1.067 -9.278 2.749 1.00 0.22 O ATOM 1581 CB VAL A 106 0.499 -8.033 5.125 1.00 55.02 C ATOM 1582 CG1 VAL A 106 1.006 -7.976 6.558 1.00 62.35 C ATOM 1583 CG2 VAL A 106 1.474 -8.787 4.234 1.00 4.20 C ATOM 0 H VAL A 106 0.096 -10.434 5.664 1.00 65.45 H new ATOM 0 HA VAL A 106 -1.556 -8.176 5.771 1.00 5.34 H new ATOM 0 HB VAL A 106 0.419 -7.011 4.754 1.00 55.02 H new ATOM 0 HG11 VAL A 106 1.992 -7.512 6.577 1.00 62.35 H new ATOM 0 HG12 VAL A 106 0.317 -7.389 7.165 1.00 62.35 H new ATOM 0 HG13 VAL A 106 1.073 -8.987 6.961 1.00 62.35 H new ATOM 0 HG21 VAL A 106 2.454 -8.313 4.284 1.00 4.20 H new ATOM 0 HG22 VAL A 106 1.553 -9.820 4.573 1.00 4.20 H new ATOM 0 HG23 VAL A 106 1.115 -8.769 3.205 1.00 4.20 H new ATOM 1593 N LYS A 107 -2.371 -7.599 3.484 1.00 53.22 N ATOM 1594 CA LYS A 107 -2.985 -7.359 2.183 1.00 32.41 C ATOM 1595 C LYS A 107 -3.856 -6.107 2.214 1.00 24.14 C ATOM 1596 O LYS A 107 -4.767 -5.993 3.034 1.00 1.33 O ATOM 1597 CB LYS A 107 -3.826 -8.567 1.763 1.00 62.22 C ATOM 1598 CG LYS A 107 -3.615 -8.982 0.317 1.00 41.52 C ATOM 1599 CD LYS A 107 -3.330 -10.469 0.199 1.00 71.40 C ATOM 1600 CE LYS A 107 -2.916 -10.847 -1.215 1.00 23.31 C ATOM 1601 NZ LYS A 107 -3.971 -10.513 -2.210 1.00 54.24 N ATOM 0 H LYS A 107 -2.705 -6.985 4.227 1.00 53.22 H new ATOM 0 HA LYS A 107 -2.188 -7.207 1.456 1.00 32.41 H new ATOM 0 HB2 LYS A 107 -3.587 -9.409 2.412 1.00 62.22 H new ATOM 0 HB3 LYS A 107 -4.880 -8.336 1.916 1.00 62.22 H new ATOM 0 HG2 LYS A 107 -4.501 -8.733 -0.267 1.00 41.52 H new ATOM 0 HG3 LYS A 107 -2.785 -8.417 -0.107 1.00 41.52 H new ATOM 0 HD2 LYS A 107 -2.540 -10.745 0.897 1.00 71.40 H new ATOM 0 HD3 LYS A 107 -4.218 -11.034 0.483 1.00 71.40 H new ATOM 0 HE2 LYS A 107 -1.994 -10.327 -1.475 1.00 23.31 H new ATOM 0 HE3 LYS A 107 -2.702 -11.915 -1.257 1.00 23.31 H new ATOM 0 HZ1 LYS A 107 -3.695 -10.877 -3.144 1.00 54.24 H new ATOM 0 HZ2 LYS A 107 -4.871 -10.948 -1.921 1.00 54.24 H new ATOM 0 HZ3 LYS A 107 -4.086 -9.481 -2.261 1.00 54.24 H new ATOM 1615 N VAL A 108 -3.570 -5.171 1.316 1.00 42.55 N ATOM 1616 CA VAL A 108 -4.328 -3.928 1.239 1.00 53.32 C ATOM 1617 C VAL A 108 -4.512 -3.485 -0.208 1.00 53.43 C ATOM 1618 O VAL A 108 -3.570 -3.504 -1.000 1.00 4.50 O ATOM 1619 CB VAL A 108 -3.637 -2.799 2.026 1.00 42.42 C ATOM 1620 CG1 VAL A 108 -3.739 -3.051 3.522 1.00 2.34 C ATOM 1621 CG2 VAL A 108 -2.183 -2.664 1.597 1.00 14.14 C ATOM 0 H VAL A 108 -2.818 -5.250 0.631 1.00 42.55 H new ATOM 0 HA VAL A 108 -5.304 -4.125 1.683 1.00 53.32 H new ATOM 0 HB VAL A 108 -4.146 -1.861 1.805 1.00 42.42 H new ATOM 0 HG11 VAL A 108 -3.245 -2.243 4.062 1.00 2.34 H new ATOM 0 HG12 VAL A 108 -4.789 -3.093 3.813 1.00 2.34 H new ATOM 0 HG13 VAL A 108 -3.257 -3.998 3.765 1.00 2.34 H new ATOM 0 HG21 VAL A 108 -1.710 -1.862 2.163 1.00 14.14 H new ATOM 0 HG22 VAL A 108 -1.659 -3.601 1.788 1.00 14.14 H new ATOM 0 HG23 VAL A 108 -2.138 -2.433 0.533 1.00 14.14 H new ATOM 1631 N LYS A 109 -5.733 -3.085 -0.548 1.00 71.22 N ATOM 1632 CA LYS A 109 -6.043 -2.635 -1.900 1.00 44.20 C ATOM 1633 C LYS A 109 -7.090 -1.526 -1.878 1.00 3.13 C ATOM 1634 O LYS A 109 -7.673 -1.231 -0.834 1.00 42.03 O ATOM 1635 CB LYS A 109 -6.543 -3.806 -2.748 1.00 31.41 C ATOM 1636 CG LYS A 109 -7.625 -4.629 -2.070 1.00 61.41 C ATOM 1637 CD LYS A 109 -7.993 -5.852 -2.893 1.00 73.33 C ATOM 1638 CE LYS A 109 -9.467 -5.847 -3.271 1.00 3.31 C ATOM 1639 NZ LYS A 109 -9.797 -4.730 -4.199 1.00 72.22 N ATOM 0 H LYS A 109 -6.525 -3.063 0.095 1.00 71.22 H new ATOM 0 HA LYS A 109 -5.129 -2.239 -2.342 1.00 44.20 H new ATOM 0 HB2 LYS A 109 -6.929 -3.421 -3.692 1.00 31.41 H new ATOM 0 HB3 LYS A 109 -5.701 -4.455 -2.988 1.00 31.41 H new ATOM 0 HG2 LYS A 109 -7.281 -4.943 -1.084 1.00 61.41 H new ATOM 0 HG3 LYS A 109 -8.511 -4.012 -1.917 1.00 61.41 H new ATOM 0 HD2 LYS A 109 -7.385 -5.880 -3.797 1.00 73.33 H new ATOM 0 HD3 LYS A 109 -7.765 -6.755 -2.327 1.00 73.33 H new ATOM 0 HE2 LYS A 109 -9.725 -6.797 -3.739 1.00 3.31 H new ATOM 0 HE3 LYS A 109 -10.073 -5.761 -2.369 1.00 3.31 H new ATOM 0 HZ1 LYS A 109 -10.762 -4.857 -4.566 1.00 72.22 H new ATOM 0 HZ2 LYS A 109 -9.737 -3.826 -3.689 1.00 72.22 H new ATOM 0 HZ3 LYS A 109 -9.123 -4.726 -4.991 1.00 72.22 H new ATOM 1653 N ARG A 110 -7.324 -0.916 -3.035 1.00 60.10 N ATOM 1654 CA ARG A 110 -8.301 0.160 -3.148 1.00 32.05 C ATOM 1655 C ARG A 110 -9.107 0.030 -4.437 1.00 32.24 C ATOM 1656 O ARG A 110 -8.703 -0.669 -5.365 1.00 43.13 O ATOM 1657 CB ARG A 110 -7.601 1.520 -3.106 1.00 74.41 C ATOM 1658 CG ARG A 110 -6.482 1.659 -4.124 1.00 45.53 C ATOM 1659 CD ARG A 110 -5.128 1.336 -3.512 1.00 21.14 C ATOM 1660 NE ARG A 110 -4.152 2.396 -3.750 1.00 22.30 N ATOM 1661 CZ ARG A 110 -3.033 2.536 -3.048 1.00 11.05 C ATOM 1662 NH1 ARG A 110 -2.750 1.688 -2.068 1.00 75.03 N ATOM 1663 NH2 ARG A 110 -2.194 3.526 -3.324 1.00 52.14 N ATOM 0 H ARG A 110 -6.850 -1.149 -3.908 1.00 60.10 H new ATOM 0 HA ARG A 110 -8.986 0.085 -2.303 1.00 32.05 H new ATOM 0 HB2 ARG A 110 -8.338 2.304 -3.279 1.00 74.41 H new ATOM 0 HB3 ARG A 110 -7.194 1.679 -2.107 1.00 74.41 H new ATOM 0 HG2 ARG A 110 -6.670 0.993 -4.966 1.00 45.53 H new ATOM 0 HG3 ARG A 110 -6.471 2.675 -4.518 1.00 45.53 H new ATOM 0 HD2 ARG A 110 -5.243 1.183 -2.439 1.00 21.14 H new ATOM 0 HD3 ARG A 110 -4.756 0.400 -3.929 1.00 21.14 H new ATOM 0 HE ARG A 110 -4.340 3.066 -4.496 1.00 22.30 H new ATOM 0 HH11 ARG A 110 -3.392 0.926 -1.852 1.00 75.03 H new ATOM 0 HH12 ARG A 110 -1.890 1.798 -1.531 1.00 75.03 H new ATOM 0 HH21 ARG A 110 -2.408 4.181 -4.076 1.00 52.14 H new ATOM 0 HH22 ARG A 110 -1.335 3.632 -2.784 1.00 52.14 H new ATOM 1677 N ALA A 111 -10.250 0.707 -4.485 1.00 44.11 N ATOM 1678 CA ALA A 111 -11.111 0.668 -5.660 1.00 14.40 C ATOM 1679 C ALA A 111 -11.480 2.076 -6.117 1.00 60.21 C ATOM 1680 O ALA A 111 -12.369 2.711 -5.550 1.00 32.31 O ATOM 1681 CB ALA A 111 -12.367 -0.139 -5.367 1.00 72.31 C ATOM 0 H ALA A 111 -10.601 1.289 -3.724 1.00 44.11 H new ATOM 0 HA ALA A 111 -10.561 0.184 -6.467 1.00 14.40 H new ATOM 0 HB1 ALA A 111 -13.001 -0.160 -6.253 1.00 72.31 H new ATOM 0 HB2 ALA A 111 -12.090 -1.157 -5.095 1.00 72.31 H new ATOM 0 HB3 ALA A 111 -12.911 0.321 -4.542 1.00 72.31 H new ATOM 1687 N VAL A 112 -10.790 2.559 -7.146 1.00 33.42 N ATOM 1688 CA VAL A 112 -11.046 3.891 -7.679 1.00 45.23 C ATOM 1689 C VAL A 112 -12.330 3.918 -8.501 1.00 24.43 C ATOM 1690 O VAL A 112 -12.712 2.916 -9.105 1.00 24.22 O ATOM 1691 CB VAL A 112 -9.877 4.377 -8.558 1.00 13.45 C ATOM 1692 CG1 VAL A 112 -9.749 3.513 -9.802 1.00 61.23 C ATOM 1693 CG2 VAL A 112 -10.065 5.840 -8.931 1.00 51.03 C ATOM 0 H VAL A 112 -10.050 2.047 -7.626 1.00 33.42 H new ATOM 0 HA VAL A 112 -11.152 4.559 -6.824 1.00 45.23 H new ATOM 0 HB VAL A 112 -8.953 4.287 -7.987 1.00 13.45 H new ATOM 0 HG11 VAL A 112 -8.918 3.871 -10.410 1.00 61.23 H new ATOM 0 HG12 VAL A 112 -9.565 2.479 -9.510 1.00 61.23 H new ATOM 0 HG13 VAL A 112 -10.672 3.568 -10.380 1.00 61.23 H new ATOM 0 HG21 VAL A 112 -9.231 6.167 -9.552 1.00 51.03 H new ATOM 0 HG22 VAL A 112 -10.997 5.958 -9.484 1.00 51.03 H new ATOM 0 HG23 VAL A 112 -10.102 6.445 -8.025 1.00 51.03 H new ATOM 1703 N GLN A 113 -12.991 5.071 -8.518 1.00 63.52 N ATOM 1704 CA GLN A 113 -14.233 5.227 -9.266 1.00 3.01 C ATOM 1705 C GLN A 113 -15.313 4.293 -8.729 1.00 4.50 C ATOM 1706 O GLN A 113 -15.029 3.379 -7.955 1.00 33.10 O ATOM 1707 CB GLN A 113 -13.996 4.951 -10.752 1.00 14.51 C ATOM 1708 CG GLN A 113 -14.075 6.196 -11.621 1.00 71.14 C ATOM 1709 CD GLN A 113 -15.381 6.292 -12.385 1.00 50.43 C ATOM 1710 OE1 GLN A 113 -16.395 5.725 -11.978 1.00 13.52 O ATOM 1711 NE2 GLN A 113 -15.363 7.013 -13.500 1.00 50.24 N ATOM 0 H GLN A 113 -12.688 5.910 -8.023 1.00 63.52 H new ATOM 0 HA GLN A 113 -14.574 6.255 -9.144 1.00 3.01 H new ATOM 0 HB2 GLN A 113 -13.015 4.493 -10.876 1.00 14.51 H new ATOM 0 HB3 GLN A 113 -14.732 4.227 -11.101 1.00 14.51 H new ATOM 0 HG2 GLN A 113 -13.959 7.080 -10.994 1.00 71.14 H new ATOM 0 HG3 GLN A 113 -13.245 6.195 -12.327 1.00 71.14 H new ATOM 0 HE21 GLN A 113 -14.500 7.466 -13.800 1.00 50.24 H new ATOM 0 HE22 GLN A 113 -16.212 7.114 -14.056 1.00 50.24 H new ATOM 1720 N LYS A 114 -16.552 4.530 -9.144 1.00 53.24 N ATOM 1721 CA LYS A 114 -17.676 3.711 -8.707 1.00 30.33 C ATOM 1722 C LYS A 114 -17.936 2.574 -9.690 1.00 20.11 C ATOM 1723 O LYS A 114 -17.305 1.519 -9.616 1.00 2.34 O ATOM 1724 CB LYS A 114 -18.934 4.570 -8.560 1.00 21.11 C ATOM 1725 CG LYS A 114 -19.505 5.043 -9.885 1.00 73.03 C ATOM 1726 CD LYS A 114 -20.832 5.760 -9.697 1.00 22.43 C ATOM 1727 CE LYS A 114 -20.994 6.901 -10.688 1.00 55.43 C ATOM 1728 NZ LYS A 114 -20.135 8.066 -10.339 1.00 14.44 N ATOM 0 H LYS A 114 -16.804 5.284 -9.783 1.00 53.24 H new ATOM 0 HA LYS A 114 -17.423 3.280 -7.738 1.00 30.33 H new ATOM 0 HB2 LYS A 114 -19.695 3.997 -8.030 1.00 21.11 H new ATOM 0 HB3 LYS A 114 -18.701 5.438 -7.944 1.00 21.11 H new ATOM 0 HG2 LYS A 114 -18.794 5.712 -10.370 1.00 73.03 H new ATOM 0 HG3 LYS A 114 -19.643 4.189 -10.548 1.00 73.03 H new ATOM 0 HD2 LYS A 114 -21.651 5.051 -9.820 1.00 22.43 H new ATOM 0 HD3 LYS A 114 -20.896 6.148 -8.680 1.00 22.43 H new ATOM 0 HE2 LYS A 114 -20.742 6.551 -11.689 1.00 55.43 H new ATOM 0 HE3 LYS A 114 -22.038 7.214 -10.713 1.00 55.43 H new ATOM 0 HZ1 LYS A 114 -20.418 8.889 -10.908 1.00 14.44 H new ATOM 0 HZ2 LYS A 114 -20.246 8.289 -9.329 1.00 14.44 H new ATOM 0 HZ3 LYS A 114 -19.140 7.835 -10.535 1.00 14.44 H new TER 1742 LYS A 114