USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 689 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 31 THR OG1 : rot 71:sc= 0.315 USER MOD Set 2.2: A 32 ASN : amide:sc= 0.113 K(o=0.43,f=-2.5!) USER MOD Set 3.1: A 27 THR OG1 : rot 175:sc= 0.0145 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0.0249 USER MOD Set 4.1: A 12 SER OG : rot -87:sc= 0.0401 USER MOD Set 4.2: A 14 THR OG1 : rot -120:sc= 1.68 USER MOD Set 4.3: A 59 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 0 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 1 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=-0.035) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.093 X(o=-0.093,f=-0.0049) USER MOD Single : A 4 HIS : no HD1:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 5 HIS : no HE2:sc= -0.0374 K(o=-0.037,f=-0.56) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.129 F(o=-0.87,f=-0.13) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -0.19 (180deg=-0.52) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00328 USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.402 USER MOD Single : A 36 THR OG1 : rot 139:sc= 1.82 USER MOD Single : A 41 ASN : amide:sc= -2.79 K(o=-2.8,f=-3.7) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 55:sc= 0.0799 USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= 0.484 (180deg=0.342) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.161 F(o=-0.81,f=-0.16) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 79 GLN : amide:sc=-0.00593 X(o=-0.0059,f=0) USER MOD Single : A 80 MET CE :methyl -158:sc= -0.0495 (180deg=-0.341) USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00717 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 -20.246 -28.907 -4.218 1.00 54.25 N ATOM 2 CA MET A -2 -19.087 -28.171 -4.708 1.00 24.12 C ATOM 3 C MET A -2 -19.176 -26.697 -4.322 1.00 52.04 C ATOM 4 O MET A -2 -20.120 -26.005 -4.695 1.00 72.11 O ATOM 5 CB MET A -2 -18.975 -28.306 -6.228 1.00 25.32 C ATOM 6 CG MET A -2 -17.728 -27.656 -6.805 1.00 3.42 C ATOM 7 SD MET A -2 -17.217 -28.400 -8.367 1.00 45.21 S ATOM 8 CE MET A -2 -15.604 -29.040 -7.926 1.00 34.12 C ATOM 0 H1 MET A -2 -20.164 -29.907 -4.492 1.00 54.25 H new ATOM 0 H2 MET A -2 -20.290 -28.835 -3.181 1.00 54.25 H new ATOM 0 H3 MET A -2 -21.112 -28.505 -4.630 1.00 54.25 H new ATOM 0 HA MET A -2 -18.196 -28.597 -4.246 1.00 24.12 H new ATOM 0 HB2 MET A -2 -18.979 -29.364 -6.492 1.00 25.32 H new ATOM 0 HB3 MET A -2 -19.855 -27.859 -6.690 1.00 25.32 H new ATOM 0 HG2 MET A -2 -17.914 -26.593 -6.957 1.00 3.42 H new ATOM 0 HG3 MET A -2 -16.914 -27.737 -6.085 1.00 3.42 H new ATOM 0 HE1 MET A -2 -15.158 -29.531 -8.791 1.00 34.12 H new ATOM 0 HE2 MET A -2 -14.963 -28.220 -7.604 1.00 34.12 H new ATOM 0 HE3 MET A -2 -15.708 -29.760 -7.114 1.00 34.12 H new ATOM 18 N GLY A -1 -18.184 -26.226 -3.572 1.00 1.43 N ATOM 19 CA GLY A -1 -18.170 -24.838 -3.148 1.00 13.04 C ATOM 20 C GLY A -1 -16.818 -24.408 -2.616 1.00 33.14 C ATOM 21 O GLY A -1 -15.834 -25.139 -2.736 1.00 21.25 O ATOM 0 H GLY A -1 -17.390 -26.780 -3.251 1.00 1.43 H new ATOM 0 HA2 GLY A -1 -18.445 -24.202 -3.989 1.00 13.04 H new ATOM 0 HA3 GLY A -1 -18.925 -24.690 -2.376 1.00 13.04 H new ATOM 25 N HIS A 0 -16.767 -23.218 -2.025 1.00 34.31 N ATOM 26 CA HIS A 0 -15.525 -22.691 -1.472 1.00 13.52 C ATOM 27 C HIS A 0 -15.784 -21.423 -0.665 1.00 25.41 C ATOM 28 O HIS A 0 -16.602 -20.587 -1.049 1.00 53.23 O ATOM 29 CB HIS A 0 -14.526 -22.401 -2.593 1.00 25.24 C ATOM 30 CG HIS A 0 -13.110 -22.282 -2.118 1.00 1.03 C ATOM 31 ND1 HIS A 0 -12.216 -21.371 -2.639 1.00 45.34 N ATOM 32 CD2 HIS A 0 -12.437 -22.965 -1.163 1.00 43.03 C ATOM 33 CE1 HIS A 0 -11.053 -21.501 -2.026 1.00 10.13 C ATOM 34 NE2 HIS A 0 -11.161 -22.461 -1.126 1.00 75.12 N ATOM 0 H HIS A 0 -17.572 -22.601 -1.917 1.00 34.31 H new ATOM 0 HA HIS A 0 -15.104 -23.444 -0.806 1.00 13.52 H new ATOM 0 HB2 HIS A 0 -14.586 -23.196 -3.336 1.00 25.24 H new ATOM 0 HB3 HIS A 0 -14.812 -21.475 -3.093 1.00 25.24 H new ATOM 0 HD2 HIS A 0 -12.831 -23.759 -0.545 1.00 43.03 H new ATOM 0 HE1 HIS A 0 -10.165 -20.921 -2.227 1.00 10.13 H new ATOM 0 HE2 HIS A 0 -10.417 -22.777 -0.504 1.00 75.12 H new ATOM 42 N HIS A 1 -15.082 -21.287 0.456 1.00 21.22 N ATOM 43 CA HIS A 1 -15.237 -20.121 1.319 1.00 52.03 C ATOM 44 C HIS A 1 -13.880 -19.618 1.801 1.00 62.11 C ATOM 45 O HIS A 1 -12.862 -20.288 1.628 1.00 54.41 O ATOM 46 CB HIS A 1 -16.124 -20.460 2.517 1.00 31.50 C ATOM 47 CG HIS A 1 -17.507 -20.889 2.136 1.00 2.14 C ATOM 48 ND1 HIS A 1 -18.014 -22.139 2.425 1.00 14.01 N ATOM 49 CD2 HIS A 1 -18.493 -20.227 1.485 1.00 4.13 C ATOM 50 CE1 HIS A 1 -19.251 -22.227 1.968 1.00 32.44 C ATOM 51 NE2 HIS A 1 -19.565 -21.079 1.394 1.00 32.12 N ATOM 0 H HIS A 1 -14.401 -21.970 0.788 1.00 21.22 H new ATOM 0 HA HIS A 1 -15.712 -19.331 0.738 1.00 52.03 H new ATOM 0 HB2 HIS A 1 -15.652 -21.255 3.095 1.00 31.50 H new ATOM 0 HB3 HIS A 1 -16.189 -19.588 3.168 1.00 31.50 H new ATOM 0 HD2 HIS A 1 -18.445 -19.216 1.108 1.00 4.13 H new ATOM 0 HE1 HIS A 1 -19.895 -23.090 2.050 1.00 32.44 H new ATOM 0 HE2 HIS A 1 -20.459 -20.861 0.954 1.00 32.12 H new ATOM 59 N HIS A 2 -13.874 -18.435 2.407 1.00 33.54 N ATOM 60 CA HIS A 2 -12.641 -17.843 2.915 1.00 24.03 C ATOM 61 C HIS A 2 -12.666 -17.758 4.438 1.00 63.52 C ATOM 62 O HIS A 2 -13.635 -18.171 5.077 1.00 4.20 O ATOM 63 CB HIS A 2 -12.437 -16.449 2.318 1.00 32.11 C ATOM 64 CG HIS A 2 -12.501 -16.424 0.822 1.00 2.22 C ATOM 65 ND1 HIS A 2 -11.928 -17.392 0.027 1.00 55.23 N ATOM 66 CD2 HIS A 2 -13.080 -15.539 -0.024 1.00 45.43 C ATOM 67 CE1 HIS A 2 -12.148 -17.104 -1.244 1.00 2.54 C ATOM 68 NE2 HIS A 2 -12.845 -15.983 -1.301 1.00 72.04 N ATOM 0 H HIS A 2 -14.708 -17.868 2.558 1.00 33.54 H new ATOM 0 HA HIS A 2 -11.810 -18.483 2.618 1.00 24.03 H new ATOM 0 HB2 HIS A 2 -13.196 -15.777 2.717 1.00 32.11 H new ATOM 0 HB3 HIS A 2 -11.469 -16.063 2.639 1.00 32.11 H new ATOM 0 HD2 HIS A 2 -13.625 -14.649 0.255 1.00 45.43 H new ATOM 0 HE1 HIS A 2 -11.815 -17.685 -2.091 1.00 2.54 H new ATOM 0 HE2 HIS A 2 -13.158 -15.522 -2.156 1.00 72.04 H new ATOM 76 N HIS A 3 -11.596 -17.220 5.014 1.00 13.21 N ATOM 77 CA HIS A 3 -11.495 -17.081 6.462 1.00 42.42 C ATOM 78 C HIS A 3 -10.953 -15.707 6.840 1.00 63.20 C ATOM 79 O HIS A 3 -10.560 -14.923 5.975 1.00 2.02 O ATOM 80 CB HIS A 3 -10.594 -18.175 7.039 1.00 1.22 C ATOM 81 CG HIS A 3 -9.259 -18.264 6.369 1.00 65.11 C ATOM 82 ND1 HIS A 3 -8.104 -17.752 6.920 1.00 71.31 N ATOM 83 CD2 HIS A 3 -8.897 -18.816 5.187 1.00 41.43 C ATOM 84 CE1 HIS A 3 -7.089 -17.981 6.105 1.00 65.21 C ATOM 85 NE2 HIS A 3 -7.544 -18.625 5.045 1.00 12.34 N ATOM 0 H HIS A 3 -10.786 -16.873 4.500 1.00 13.21 H new ATOM 0 HA HIS A 3 -12.495 -17.185 6.883 1.00 42.42 H new ATOM 0 HB2 HIS A 3 -10.446 -17.989 8.103 1.00 1.22 H new ATOM 0 HB3 HIS A 3 -11.101 -19.136 6.951 1.00 1.22 H new ATOM 0 HD2 HIS A 3 -9.550 -19.314 4.486 1.00 41.43 H new ATOM 0 HE1 HIS A 3 -6.063 -17.691 6.276 1.00 65.21 H new ATOM 0 HE2 HIS A 3 -6.982 -18.931 4.250 1.00 12.34 H new ATOM 93 N HIS A 4 -10.934 -15.419 8.138 1.00 40.35 N ATOM 94 CA HIS A 4 -10.440 -14.138 8.630 1.00 22.10 C ATOM 95 C HIS A 4 -8.975 -14.243 9.041 1.00 74.02 C ATOM 96 O HIS A 4 -8.453 -15.340 9.242 1.00 44.32 O ATOM 97 CB HIS A 4 -11.282 -13.664 9.814 1.00 1.30 C ATOM 98 CG HIS A 4 -12.596 -13.065 9.415 1.00 5.31 C ATOM 99 ND1 HIS A 4 -13.805 -13.506 9.909 1.00 64.23 N ATOM 100 CD2 HIS A 4 -12.884 -12.054 8.563 1.00 51.54 C ATOM 101 CE1 HIS A 4 -14.781 -12.792 9.378 1.00 54.22 C ATOM 102 NE2 HIS A 4 -14.250 -11.904 8.558 1.00 4.14 N ATOM 0 H HIS A 4 -11.255 -16.055 8.868 1.00 40.35 H new ATOM 0 HA HIS A 4 -10.521 -13.410 7.823 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -11.464 -14.507 10.480 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -10.714 -12.927 10.381 1.00 1.30 H new ATOM 0 HD2 HIS A 4 -12.173 -11.474 7.993 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -15.835 -12.914 9.580 1.00 54.22 H new ATOM 0 HE2 HIS A 4 -14.769 -11.218 8.010 1.00 4.14 H new ATOM 110 N HIS A 5 -8.316 -13.096 9.165 1.00 60.24 N ATOM 111 CA HIS A 5 -6.910 -13.058 9.553 1.00 11.12 C ATOM 112 C HIS A 5 -6.674 -12.013 10.639 1.00 33.24 C ATOM 113 O HIS A 5 -5.806 -11.149 10.506 1.00 12.22 O ATOM 114 CB HIS A 5 -6.032 -12.757 8.339 1.00 22.12 C ATOM 115 CG HIS A 5 -6.504 -11.584 7.535 1.00 33.15 C ATOM 116 ND1 HIS A 5 -6.089 -10.291 7.776 1.00 43.31 N ATOM 117 CD2 HIS A 5 -7.358 -11.514 6.487 1.00 2.04 C ATOM 118 CE1 HIS A 5 -6.669 -9.476 6.912 1.00 73.02 C ATOM 119 NE2 HIS A 5 -7.444 -10.194 6.119 1.00 44.41 N ATOM 0 H HIS A 5 -8.733 -12.179 9.002 1.00 60.24 H new ATOM 0 HA HIS A 5 -6.642 -14.037 9.951 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -5.012 -12.570 8.676 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -5.999 -13.637 7.697 1.00 22.12 H new ATOM 0 HD1 HIS A 5 -5.436 -10.008 8.507 1.00 43.31 H new ATOM 0 HD2 HIS A 5 -7.875 -12.342 6.026 1.00 2.04 H new ATOM 0 HE1 HIS A 5 -6.533 -8.406 6.863 1.00 73.02 H new ATOM 127 N THR A 6 -7.452 -12.097 11.714 1.00 44.42 N ATOM 128 CA THR A 6 -7.327 -11.158 12.822 1.00 11.22 C ATOM 129 C THR A 6 -6.395 -11.699 13.900 1.00 23.31 C ATOM 130 O THR A 6 -6.042 -12.878 13.896 1.00 44.55 O ATOM 131 CB THR A 6 -8.698 -10.849 13.452 1.00 11.30 C ATOM 132 OG1 THR A 6 -9.737 -11.046 12.487 1.00 25.35 O ATOM 133 CG2 THR A 6 -8.747 -9.420 13.971 1.00 51.53 C ATOM 0 H THR A 6 -8.175 -12.805 11.841 1.00 44.42 H new ATOM 0 HA THR A 6 -6.908 -10.239 12.412 1.00 11.22 H new ATOM 0 HB THR A 6 -8.847 -11.529 14.291 1.00 11.30 H new ATOM 0 HG1 THR A 6 -10.605 -10.849 12.896 1.00 25.35 H new ATOM 0 HG21 THR A 6 -9.725 -9.226 14.411 1.00 51.53 H new ATOM 0 HG22 THR A 6 -7.975 -9.281 14.727 1.00 51.53 H new ATOM 0 HG23 THR A 6 -8.576 -8.727 13.147 1.00 51.53 H new ATOM 141 N LYS A 7 -5.999 -10.829 14.823 1.00 74.22 N ATOM 142 CA LYS A 7 -5.109 -11.218 15.910 1.00 52.34 C ATOM 143 C LYS A 7 -5.723 -12.342 16.740 1.00 44.13 C ATOM 144 O LYS A 7 -6.772 -12.882 16.391 1.00 11.03 O ATOM 145 CB LYS A 7 -4.806 -10.015 16.805 1.00 74.23 C ATOM 146 CG LYS A 7 -4.123 -8.871 16.076 1.00 71.23 C ATOM 147 CD LYS A 7 -5.121 -7.806 15.653 1.00 12.54 C ATOM 148 CE LYS A 7 -4.449 -6.453 15.475 1.00 45.02 C ATOM 149 NZ LYS A 7 -4.533 -5.626 16.712 1.00 71.41 N1+ ATOM 0 H LYS A 7 -6.281 -9.849 14.840 1.00 74.22 H new ATOM 0 HA LYS A 7 -4.179 -11.580 15.472 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -5.737 -9.653 17.240 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -4.173 -10.338 17.631 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -3.367 -8.426 16.723 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -3.605 -9.256 15.197 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -5.597 -8.103 14.719 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -5.909 -7.726 16.402 1.00 12.54 H new ATOM 0 HE2 LYS A 7 -3.403 -6.599 15.206 1.00 45.02 H new ATOM 0 HE3 LYS A 7 -4.919 -5.920 14.649 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 -4.064 -4.712 16.551 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 -5.531 -5.465 16.955 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 -4.062 -6.123 17.495 1.00 71.41 H new ATOM 163 N GLY A 8 -5.063 -12.687 17.841 1.00 4.54 N ATOM 164 CA GLY A 8 -5.560 -13.742 18.705 1.00 1.12 C ATOM 165 C GLY A 8 -7.018 -13.552 19.072 1.00 12.44 C ATOM 166 O GLY A 8 -7.409 -12.493 19.560 1.00 42.34 O ATOM 0 H GLY A 8 -4.193 -12.255 18.150 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -5.436 -14.704 18.207 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.961 -13.775 19.615 1.00 1.12 H new ATOM 170 N ASN A 9 -7.825 -14.581 18.836 1.00 51.20 N ATOM 171 CA ASN A 9 -9.249 -14.521 19.143 1.00 63.11 C ATOM 172 C ASN A 9 -9.683 -15.738 19.955 1.00 4.24 C ATOM 173 O ASN A 9 -9.429 -16.879 19.568 1.00 20.25 O ATOM 174 CB ASN A 9 -10.068 -14.437 17.852 1.00 62.31 C ATOM 175 CG ASN A 9 -11.508 -14.871 18.052 1.00 62.52 C ATOM 176 OD1 ASN A 9 -12.136 -14.367 19.108 1.00 73.41 O flip ATOM 177 ND2 ASN A 9 -12.048 -15.650 17.266 1.00 54.03 N flip ATOM 0 H ASN A 9 -7.517 -15.466 18.433 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.429 -13.626 19.739 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -10.048 -13.413 17.478 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -9.605 -15.064 17.090 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -11.526 -16.012 16.468 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -13.017 -15.933 17.413 1.00 54.03 H new ATOM 184 N VAL A 10 -10.338 -15.487 21.084 1.00 11.42 N ATOM 185 CA VAL A 10 -10.807 -16.561 21.950 1.00 24.54 C ATOM 186 C VAL A 10 -12.329 -16.558 22.054 1.00 65.31 C ATOM 187 O VAL A 10 -12.937 -15.546 22.403 1.00 73.33 O ATOM 188 CB VAL A 10 -10.208 -16.444 23.364 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.752 -17.542 24.267 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.689 -16.496 23.304 1.00 42.41 C ATOM 0 H VAL A 10 -10.556 -14.549 21.420 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.477 -17.497 21.500 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.500 -15.482 23.785 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.318 -17.443 25.262 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.836 -17.454 24.334 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.492 -18.516 23.853 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.282 -16.412 24.312 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.374 -17.442 22.863 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.321 -15.671 22.694 1.00 42.41 H new ATOM 200 N THR A 11 -12.939 -17.698 21.746 1.00 10.10 N ATOM 201 CA THR A 11 -14.390 -17.828 21.805 1.00 34.03 C ATOM 202 C THR A 11 -14.804 -18.960 22.739 1.00 20.04 C ATOM 203 O THR A 11 -13.970 -19.749 23.181 1.00 73.43 O ATOM 204 CB THR A 11 -14.986 -18.087 20.408 1.00 22.23 C ATOM 205 OG1 THR A 11 -14.093 -18.899 19.637 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.248 -16.777 19.680 1.00 3.03 C ATOM 0 H THR A 11 -12.451 -18.545 21.453 1.00 10.10 H new ATOM 0 HA THR A 11 -14.777 -16.884 22.189 1.00 34.03 H new ATOM 0 HB THR A 11 -15.934 -18.610 20.533 1.00 22.23 H new ATOM 0 HG1 THR A 11 -14.480 -19.060 18.751 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.669 -16.985 18.696 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.952 -16.175 20.255 1.00 3.03 H new ATOM 0 HG23 THR A 11 -14.312 -16.231 19.566 1.00 3.03 H new ATOM 214 N SER A 12 -16.098 -19.032 23.035 1.00 72.20 N ATOM 215 CA SER A 12 -16.622 -20.065 23.920 1.00 63.13 C ATOM 216 C SER A 12 -17.062 -21.291 23.125 1.00 64.31 C ATOM 217 O SER A 12 -17.482 -21.180 21.973 1.00 41.10 O ATOM 218 CB SER A 12 -17.799 -19.522 24.733 1.00 31.13 C ATOM 219 OG SER A 12 -17.637 -19.796 26.113 1.00 24.24 O ATOM 0 H SER A 12 -16.802 -18.388 22.675 1.00 72.20 H new ATOM 0 HA SER A 12 -15.825 -20.362 24.601 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.884 -18.446 24.581 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.727 -19.969 24.377 1.00 31.13 H new ATOM 0 HG SER A 12 -17.998 -20.685 26.315 1.00 24.24 H new ATOM 225 N LYS A 13 -16.960 -22.460 23.748 1.00 44.22 N ATOM 226 CA LYS A 13 -17.347 -23.708 23.101 1.00 60.22 C ATOM 227 C LYS A 13 -18.796 -24.063 23.426 1.00 54.30 C ATOM 228 O LYS A 13 -19.216 -25.209 23.265 1.00 2.34 O ATOM 229 CB LYS A 13 -16.422 -24.844 23.542 1.00 51.22 C ATOM 230 CG LYS A 13 -16.325 -25.976 22.534 1.00 2.31 C ATOM 231 CD LYS A 13 -15.328 -27.033 22.978 1.00 13.33 C ATOM 232 CE LYS A 13 -16.008 -28.147 23.761 1.00 53.45 C ATOM 233 NZ LYS A 13 -16.095 -27.829 25.214 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.612 -22.569 24.701 1.00 44.22 H new ATOM 0 HA LYS A 13 -17.257 -23.572 22.023 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.425 -24.441 23.720 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.779 -25.244 24.491 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -17.306 -26.432 22.402 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -16.026 -25.577 21.565 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -14.828 -27.453 22.105 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -14.557 -26.571 23.595 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -17.010 -28.311 23.364 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -15.455 -29.077 23.625 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -16.206 -28.710 25.756 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -15.226 -27.343 25.516 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -16.914 -27.212 25.386 1.00 51.21 H new ATOM 247 N THR A 14 -19.555 -23.072 23.882 1.00 41.41 N ATOM 248 CA THR A 14 -20.955 -23.280 24.229 1.00 75.14 C ATOM 249 C THR A 14 -21.868 -22.935 23.057 1.00 53.42 C ATOM 250 O THR A 14 -22.629 -23.779 22.582 1.00 1.11 O ATOM 251 CB THR A 14 -21.364 -22.433 25.449 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.342 -21.474 25.744 1.00 34.11 O ATOM 253 CG2 THR A 14 -21.603 -23.316 26.664 1.00 0.42 C ATOM 0 H THR A 14 -19.224 -22.117 24.020 1.00 41.41 H new ATOM 0 HA THR A 14 -21.066 -24.336 24.476 1.00 75.14 H new ATOM 0 HB THR A 14 -22.291 -21.913 25.209 1.00 22.31 H new ATOM 0 HG1 THR A 14 -20.010 -21.619 26.654 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.891 -22.696 27.513 1.00 0.42 H new ATOM 0 HG22 THR A 14 -22.401 -24.026 26.446 1.00 0.42 H new ATOM 0 HG23 THR A 14 -20.689 -23.859 26.904 1.00 0.42 H new ATOM 261 N ASP A 15 -21.788 -21.692 22.596 1.00 13.30 N ATOM 262 CA ASP A 15 -22.606 -21.236 21.478 1.00 3.24 C ATOM 263 C ASP A 15 -21.732 -20.757 20.324 1.00 54.23 C ATOM 264 O ASP A 15 -22.146 -20.782 19.166 1.00 30.21 O ATOM 265 CB ASP A 15 -23.541 -20.112 21.928 1.00 34.54 C ATOM 266 CG ASP A 15 -24.571 -20.584 22.936 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.873 -19.819 23.876 1.00 25.13 O ATOM 268 OD2 ASP A 15 -25.073 -21.717 22.786 1.00 72.52 O1- ATOM 0 H ASP A 15 -21.165 -20.981 22.979 1.00 13.30 H new ATOM 0 HA ASP A 15 -23.204 -22.078 21.130 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.951 -19.306 22.365 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -24.051 -19.698 21.058 1.00 34.54 H new ATOM 273 N GLY A 16 -20.519 -20.320 20.650 1.00 45.50 N ATOM 274 CA GLY A 16 -19.606 -19.839 19.629 1.00 13.14 C ATOM 275 C GLY A 16 -19.465 -18.330 19.641 1.00 50.04 C ATOM 276 O GLY A 16 -19.207 -17.717 18.605 1.00 53.34 O ATOM 0 H GLY A 16 -20.153 -20.290 21.602 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.627 -20.293 19.779 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.960 -20.160 18.649 1.00 13.14 H new ATOM 280 N GLN A 17 -19.637 -17.730 20.814 1.00 15.14 N ATOM 281 CA GLN A 17 -19.530 -16.283 20.955 1.00 71.43 C ATOM 282 C GLN A 17 -18.152 -15.887 21.476 1.00 32.32 C ATOM 283 O GLN A 17 -17.471 -16.659 22.153 1.00 12.20 O ATOM 284 CB GLN A 17 -20.614 -15.760 21.898 1.00 54.31 C ATOM 285 CG GLN A 17 -20.510 -16.309 23.311 1.00 63.40 C ATOM 286 CD GLN A 17 -21.779 -16.102 24.113 1.00 73.24 C ATOM 287 OE1 GLN A 17 -22.325 -17.045 24.687 1.00 3.00 O ATOM 288 NE2 GLN A 17 -22.256 -14.864 24.158 1.00 74.15 N ATOM 0 H GLN A 17 -19.851 -18.224 21.681 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.668 -15.836 19.970 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.557 -14.672 21.935 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -21.592 -16.014 21.490 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -20.282 -17.374 23.267 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -19.678 -15.826 23.824 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -21.771 -14.113 23.667 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -23.107 -14.664 24.683 1.00 74.15 H new ATOM 297 N PRO A 18 -17.729 -14.655 21.156 1.00 51.11 N ATOM 298 CA PRO A 18 -16.429 -14.129 21.582 1.00 61.23 C ATOM 299 C PRO A 18 -16.375 -13.863 23.083 1.00 5.35 C ATOM 300 O PRO A 18 -17.359 -13.429 23.681 1.00 41.13 O ATOM 301 CB PRO A 18 -16.304 -12.818 20.802 1.00 11.54 C ATOM 302 CG PRO A 18 -17.709 -12.406 20.525 1.00 0.34 C ATOM 303 CD PRO A 18 -18.488 -13.681 20.353 1.00 14.12 C ATOM 0 HA PRO A 18 -15.621 -14.834 21.389 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.777 -12.061 21.382 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.743 -12.959 19.878 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.110 -11.811 21.346 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.765 -11.790 19.627 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.513 -13.577 20.710 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.544 -13.980 19.306 1.00 14.12 H new ATOM 311 N ILE A 19 -15.220 -14.127 23.684 1.00 51.31 N ATOM 312 CA ILE A 19 -15.037 -13.914 25.114 1.00 72.32 C ATOM 313 C ILE A 19 -14.691 -12.460 25.415 1.00 61.13 C ATOM 314 O ILE A 19 -13.585 -12.002 25.126 1.00 31.30 O ATOM 315 CB ILE A 19 -13.930 -14.822 25.682 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.232 -16.289 25.370 1.00 63.22 C ATOM 317 CG2 ILE A 19 -13.790 -14.611 27.182 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.538 -16.775 25.959 1.00 75.31 C ATOM 0 H ILE A 19 -14.397 -14.489 23.203 1.00 51.31 H new ATOM 0 HA ILE A 19 -15.983 -14.166 25.593 1.00 72.32 H new ATOM 0 HB ILE A 19 -12.985 -14.557 25.208 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.258 -16.424 24.289 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.419 -16.908 25.750 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.004 -15.260 27.569 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.533 -13.571 27.381 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -14.733 -14.851 27.673 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -15.687 -17.823 25.698 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -15.509 -16.672 27.044 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.360 -16.181 25.560 1.00 75.31 H new ATOM 330 N ILE A 20 -15.643 -11.738 25.998 1.00 0.14 N ATOM 331 CA ILE A 20 -15.438 -10.336 26.340 1.00 33.25 C ATOM 332 C ILE A 20 -15.141 -10.172 27.826 1.00 4.43 C ATOM 333 O ILE A 20 -15.896 -10.640 28.676 1.00 31.01 O ATOM 334 CB ILE A 20 -16.666 -9.482 25.974 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.101 -9.764 24.535 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.357 -8.004 26.161 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.367 -9.039 24.134 1.00 42.20 C ATOM 0 H ILE A 20 -16.564 -12.101 26.243 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.582 -9.991 25.761 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.487 -9.749 26.639 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.297 -9.476 23.858 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.252 -10.837 24.413 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.234 -7.413 25.898 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.091 -7.817 27.201 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.524 -7.722 25.517 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -18.616 -9.285 23.102 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.184 -9.345 24.787 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.214 -7.963 24.223 1.00 42.20 H new ATOM 349 N GLY A 21 -14.035 -9.499 28.132 1.00 4.13 N ATOM 350 CA GLY A 21 -13.658 -9.281 29.517 1.00 62.52 C ATOM 351 C GLY A 21 -12.866 -10.439 30.091 1.00 10.52 C ATOM 352 O GLY A 21 -13.091 -10.851 31.227 1.00 13.11 O ATOM 0 H GLY A 21 -13.394 -9.101 27.446 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.066 -8.368 29.590 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.556 -9.127 30.115 1.00 62.52 H new ATOM 356 N ALA A 22 -11.936 -10.966 29.300 1.00 14.24 N ATOM 357 CA ALA A 22 -11.107 -12.083 29.736 1.00 24.05 C ATOM 358 C ALA A 22 -9.782 -11.592 30.310 1.00 13.45 C ATOM 359 O ALA A 22 -9.379 -10.452 30.079 1.00 23.13 O ATOM 360 CB ALA A 22 -10.861 -13.041 28.580 1.00 63.11 C ATOM 0 H ALA A 22 -11.738 -10.637 28.355 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.641 -12.613 30.525 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.241 -13.870 28.920 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.814 -13.426 28.217 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.352 -12.514 27.773 1.00 63.11 H new ATOM 366 N SER A 23 -9.108 -12.460 31.059 1.00 20.43 N ATOM 367 CA SER A 23 -7.831 -12.113 31.670 1.00 45.41 C ATOM 368 C SER A 23 -6.677 -12.787 30.936 1.00 32.33 C ATOM 369 O SER A 23 -6.481 -13.998 31.042 1.00 40.44 O ATOM 370 CB SER A 23 -7.819 -12.520 33.144 1.00 52.44 C ATOM 371 OG SER A 23 -8.837 -11.848 33.867 1.00 21.24 O ATOM 0 H SER A 23 -9.426 -13.409 31.257 1.00 20.43 H new ATOM 0 HA SER A 23 -7.704 -11.033 31.598 1.00 45.41 H new ATOM 0 HB2 SER A 23 -7.960 -13.598 33.228 1.00 52.44 H new ATOM 0 HB3 SER A 23 -6.847 -12.290 33.580 1.00 52.44 H new ATOM 0 HG SER A 23 -8.810 -12.127 34.806 1.00 21.24 H new ATOM 377 N VAL A 24 -5.914 -11.994 30.190 1.00 70.10 N ATOM 378 CA VAL A 24 -4.778 -12.513 29.437 1.00 11.40 C ATOM 379 C VAL A 24 -3.459 -12.031 30.032 1.00 21.15 C ATOM 380 O VAL A 24 -3.086 -10.868 29.882 1.00 75.44 O ATOM 381 CB VAL A 24 -4.845 -12.092 27.958 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.708 -12.725 27.169 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.193 -12.465 27.358 1.00 64.12 C ATOM 0 H VAL A 24 -6.062 -10.990 30.091 1.00 70.10 H new ATOM 0 HA VAL A 24 -4.827 -13.600 29.500 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.735 -11.009 27.902 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.773 -12.415 26.126 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.753 -12.403 27.585 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.783 -13.811 27.231 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.223 -12.160 26.312 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.335 -13.544 27.426 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -6.988 -11.959 27.906 1.00 64.12 H new ATOM 393 N VAL A 25 -2.756 -12.935 30.707 1.00 54.40 N ATOM 394 CA VAL A 25 -1.478 -12.603 31.324 1.00 74.22 C ATOM 395 C VAL A 25 -0.376 -13.541 30.843 1.00 74.52 C ATOM 396 O VAL A 25 -0.582 -14.748 30.726 1.00 52.34 O ATOM 397 CB VAL A 25 -1.560 -12.672 32.860 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.678 -11.779 33.375 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.760 -14.108 33.319 1.00 31.03 C ATOM 0 H VAL A 25 -3.050 -13.903 30.840 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.239 -11.582 31.026 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.618 -12.311 33.273 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.721 -11.840 34.462 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.487 -10.748 33.077 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.629 -12.108 32.955 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.816 -14.138 34.407 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.686 -14.499 32.897 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.922 -14.718 32.982 1.00 31.03 H new ATOM 409 N GLU A 26 0.796 -12.976 30.566 1.00 60.03 N ATOM 410 CA GLU A 26 1.931 -13.763 30.097 1.00 2.03 C ATOM 411 C GLU A 26 2.505 -14.614 31.225 1.00 74.12 C ATOM 412 O GLU A 26 2.095 -14.495 32.381 1.00 32.34 O ATOM 413 CB GLU A 26 3.016 -12.846 29.531 1.00 54.12 C ATOM 414 CG GLU A 26 2.520 -11.922 28.432 1.00 11.04 C ATOM 415 CD GLU A 26 3.537 -11.736 27.322 1.00 42.11 C ATOM 416 OE1 GLU A 26 3.145 -11.281 26.228 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.725 -12.048 27.549 1.00 73.20 O1- ATOM 0 H GLU A 26 0.984 -11.978 30.658 1.00 60.03 H new ATOM 0 HA GLU A 26 1.579 -14.427 29.307 1.00 2.03 H new ATOM 0 HB2 GLU A 26 3.430 -12.245 30.340 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.829 -13.458 29.140 1.00 54.12 H new ATOM 0 HG2 GLU A 26 1.599 -12.325 28.012 1.00 11.04 H new ATOM 0 HG3 GLU A 26 2.276 -10.951 28.862 1.00 11.04 H new ATOM 424 N THR A 27 3.460 -15.474 30.883 1.00 32.44 N ATOM 425 CA THR A 27 4.090 -16.347 31.864 1.00 21.42 C ATOM 426 C THR A 27 5.092 -15.579 32.720 1.00 43.23 C ATOM 427 O THR A 27 5.242 -15.849 33.913 1.00 52.43 O ATOM 428 CB THR A 27 4.812 -17.527 31.186 1.00 43.33 C ATOM 429 OG1 THR A 27 5.618 -17.052 30.103 1.00 43.23 O ATOM 430 CG2 THR A 27 3.810 -18.548 30.669 1.00 11.11 C ATOM 0 H THR A 27 3.814 -15.584 29.933 1.00 32.44 H new ATOM 0 HA THR A 27 3.293 -16.734 32.499 1.00 21.42 H new ATOM 0 HB THR A 27 5.449 -18.009 31.928 1.00 43.33 H new ATOM 0 HG1 THR A 27 6.142 -17.794 29.735 1.00 43.23 H new ATOM 0 HG21 THR A 27 4.342 -19.372 30.194 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.218 -18.930 31.501 1.00 11.11 H new ATOM 0 HG23 THR A 27 3.151 -18.075 29.941 1.00 11.11 H new ATOM 438 N THR A 28 5.776 -14.620 32.105 1.00 30.42 N ATOM 439 CA THR A 28 6.764 -13.813 32.809 1.00 4.41 C ATOM 440 C THR A 28 6.302 -12.365 32.934 1.00 13.12 C ATOM 441 O THR A 28 6.760 -11.631 33.811 1.00 64.00 O ATOM 442 CB THR A 28 8.129 -13.844 32.097 1.00 64.03 C ATOM 443 OG1 THR A 28 7.953 -13.617 30.694 1.00 63.55 O ATOM 444 CG2 THR A 28 8.823 -15.180 32.317 1.00 20.21 C ATOM 0 H THR A 28 5.664 -14.383 31.119 1.00 30.42 H new ATOM 0 HA THR A 28 6.873 -14.245 33.804 1.00 4.41 H new ATOM 0 HB THR A 28 8.753 -13.055 32.517 1.00 64.03 H new ATOM 0 HG1 THR A 28 8.825 -13.636 30.248 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.785 -15.179 31.805 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.980 -15.337 33.384 1.00 20.21 H new ATOM 0 HG23 THR A 28 8.202 -15.983 31.920 1.00 20.21 H new ATOM 452 N ALA A 29 5.392 -11.961 32.055 1.00 21.15 N ATOM 453 CA ALA A 29 4.867 -10.601 32.068 1.00 63.21 C ATOM 454 C ALA A 29 3.369 -10.595 32.351 1.00 61.33 C ATOM 455 O ALA A 29 2.556 -10.421 31.443 1.00 2.51 O ATOM 456 CB ALA A 29 5.160 -9.908 30.746 1.00 62.41 C ATOM 0 H ALA A 29 5.002 -12.556 31.324 1.00 21.15 H new ATOM 0 HA ALA A 29 5.364 -10.054 32.869 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.762 -8.894 30.771 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.237 -9.871 30.585 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.691 -10.462 29.933 1.00 62.41 H new ATOM 462 N THR A 30 3.009 -10.784 33.617 1.00 64.05 N ATOM 463 CA THR A 30 1.608 -10.803 34.018 1.00 52.03 C ATOM 464 C THR A 30 1.102 -9.395 34.314 1.00 44.32 C ATOM 465 O THR A 30 -0.052 -9.068 34.039 1.00 33.44 O ATOM 466 CB THR A 30 1.392 -11.684 35.263 1.00 73.01 C ATOM 467 OG1 THR A 30 2.334 -11.334 36.282 1.00 1.52 O ATOM 468 CG2 THR A 30 1.538 -13.158 34.913 1.00 41.22 C ATOM 0 H THR A 30 3.669 -10.926 34.382 1.00 64.05 H new ATOM 0 HA THR A 30 1.046 -11.221 33.183 1.00 52.03 H new ATOM 0 HB THR A 30 0.381 -11.512 35.632 1.00 73.01 H new ATOM 0 HG1 THR A 30 2.188 -11.898 37.070 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.381 -13.761 35.807 1.00 41.22 H new ATOM 0 HG22 THR A 30 0.799 -13.428 34.159 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.539 -13.342 34.522 1.00 41.22 H new ATOM 476 N THR A 31 1.975 -8.563 34.874 1.00 20.21 N ATOM 477 CA THR A 31 1.618 -7.190 35.207 1.00 74.23 C ATOM 478 C THR A 31 1.040 -6.463 33.998 1.00 5.21 C ATOM 479 O THR A 31 0.206 -5.570 34.139 1.00 44.33 O ATOM 480 CB THR A 31 2.834 -6.404 35.732 1.00 70.21 C ATOM 481 OG1 THR A 31 3.904 -6.465 34.781 1.00 65.04 O ATOM 482 CG2 THR A 31 3.303 -6.959 37.068 1.00 32.33 C ATOM 0 H THR A 31 2.935 -8.817 35.106 1.00 20.21 H new ATOM 0 HA THR A 31 0.863 -7.242 35.991 1.00 74.23 H new ATOM 0 HB THR A 31 2.534 -5.366 35.875 1.00 70.21 H new ATOM 0 HG1 THR A 31 3.674 -5.928 33.994 1.00 65.04 H new ATOM 0 HG21 THR A 31 4.163 -6.387 37.418 1.00 32.33 H new ATOM 0 HG22 THR A 31 2.496 -6.884 37.797 1.00 32.33 H new ATOM 0 HG23 THR A 31 3.587 -8.004 36.948 1.00 32.33 H new ATOM 490 N ASN A 32 1.488 -6.854 32.810 1.00 33.34 N ATOM 491 CA ASN A 32 1.014 -6.239 31.575 1.00 52.15 C ATOM 492 C ASN A 32 -0.136 -7.041 30.974 1.00 70.20 C ATOM 493 O ASN A 32 -0.307 -7.084 29.757 1.00 25.25 O ATOM 494 CB ASN A 32 2.158 -6.131 30.563 1.00 21.20 C ATOM 495 CG ASN A 32 3.343 -5.359 31.111 1.00 12.02 C ATOM 496 OD1 ASN A 32 3.306 -4.859 32.236 1.00 74.30 O ATOM 497 ND2 ASN A 32 4.401 -5.258 30.316 1.00 53.21 N ATOM 0 H ASN A 32 2.178 -7.593 32.676 1.00 33.34 H new ATOM 0 HA ASN A 32 0.651 -5.239 31.813 1.00 52.15 H new ATOM 0 HB2 ASN A 32 2.481 -7.132 30.276 1.00 21.20 H new ATOM 0 HB3 ASN A 32 1.795 -5.641 29.659 1.00 21.20 H new ATOM 0 HD21 ASN A 32 5.228 -4.750 30.630 1.00 53.21 H new ATOM 0 HD22 ASN A 32 4.387 -5.688 29.391 1.00 53.21 H new ATOM 504 N GLY A 33 -0.923 -7.676 31.838 1.00 61.22 N ATOM 505 CA GLY A 33 -2.048 -8.467 31.374 1.00 53.12 C ATOM 506 C GLY A 33 -3.045 -7.647 30.581 1.00 52.44 C ATOM 507 O GLY A 33 -3.392 -6.531 30.968 1.00 13.13 O ATOM 0 H GLY A 33 -0.801 -7.657 32.851 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.682 -9.286 30.755 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.551 -8.915 32.231 1.00 53.12 H new ATOM 511 N THR A 34 -3.510 -8.201 29.465 1.00 73.43 N ATOM 512 CA THR A 34 -4.471 -7.513 28.613 1.00 24.51 C ATOM 513 C THR A 34 -5.833 -8.198 28.656 1.00 64.20 C ATOM 514 O THR A 34 -5.934 -9.377 28.993 1.00 40.52 O ATOM 515 CB THR A 34 -3.986 -7.453 27.153 1.00 43.53 C ATOM 516 OG1 THR A 34 -2.595 -7.117 27.112 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.784 -6.429 26.359 1.00 1.21 C ATOM 0 H THR A 34 -3.236 -9.125 29.131 1.00 73.43 H new ATOM 0 HA THR A 34 -4.565 -6.498 28.999 1.00 24.51 H new ATOM 0 HB THR A 34 -4.135 -8.435 26.703 1.00 43.53 H new ATOM 0 HG1 THR A 34 -2.368 -6.773 26.223 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.423 -6.405 25.331 1.00 1.21 H new ATOM 0 HG22 THR A 34 -5.839 -6.704 26.367 1.00 1.21 H new ATOM 0 HG23 THR A 34 -4.662 -5.444 26.810 1.00 1.21 H new ATOM 525 N ILE A 35 -6.877 -7.451 28.314 1.00 53.35 N ATOM 526 CA ILE A 35 -8.232 -7.987 28.313 1.00 41.13 C ATOM 527 C ILE A 35 -8.751 -8.165 26.890 1.00 31.20 C ATOM 528 O ILE A 35 -8.363 -7.433 25.978 1.00 21.21 O ATOM 529 CB ILE A 35 -9.199 -7.076 29.090 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.085 -5.633 28.593 1.00 3.53 C ATOM 531 CG2 ILE A 35 -8.916 -7.152 30.582 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.366 -4.841 28.738 1.00 62.41 C ATOM 0 H ILE A 35 -6.810 -6.472 28.034 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.187 -8.958 28.806 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.218 -7.421 28.916 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.291 -5.129 29.144 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -8.789 -5.641 27.544 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.608 -6.502 31.117 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.044 -8.179 30.925 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -7.893 -6.830 30.775 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.212 -3.828 28.366 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.158 -5.322 28.164 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.653 -4.802 29.789 1.00 62.41 H new ATOM 544 N THR A 36 -9.634 -9.143 26.705 1.00 11.05 N ATOM 545 CA THR A 36 -10.207 -9.416 25.394 1.00 11.35 C ATOM 546 C THR A 36 -11.201 -8.333 24.991 1.00 20.04 C ATOM 547 O THR A 36 -11.853 -7.728 25.842 1.00 42.14 O ATOM 548 CB THR A 36 -10.916 -10.784 25.366 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.671 -10.969 26.568 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.908 -11.913 25.214 1.00 55.34 C ATOM 0 H THR A 36 -9.967 -9.758 27.447 1.00 11.05 H new ATOM 0 HA THR A 36 -9.380 -9.428 24.684 1.00 11.35 H new ATOM 0 HB THR A 36 -11.589 -10.802 24.509 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.535 -11.379 26.352 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.432 -12.869 25.197 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.356 -11.785 24.283 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.213 -11.895 26.053 1.00 55.34 H new ATOM 558 N ASP A 37 -11.313 -8.094 23.689 1.00 12.13 N ATOM 559 CA ASP A 37 -12.230 -7.084 23.173 1.00 12.53 C ATOM 560 C ASP A 37 -13.640 -7.649 23.038 1.00 15.53 C ATOM 561 O ASP A 37 -13.904 -8.788 23.423 1.00 0.31 O ATOM 562 CB ASP A 37 -11.742 -6.566 21.818 1.00 5.44 C ATOM 563 CG ASP A 37 -10.478 -5.736 21.937 1.00 34.54 C ATOM 564 OD1 ASP A 37 -10.208 -4.934 21.020 1.00 11.40 O ATOM 565 OD2 ASP A 37 -9.760 -5.890 22.947 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.780 -8.586 22.972 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.256 -6.256 23.882 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.557 -7.411 21.154 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.526 -5.965 21.358 1.00 5.44 H new ATOM 570 N PHE A 38 -14.544 -6.844 22.487 1.00 33.31 N ATOM 571 CA PHE A 38 -15.928 -7.263 22.303 1.00 53.25 C ATOM 572 C PHE A 38 -16.007 -8.514 21.432 1.00 61.41 C ATOM 573 O PHE A 38 -16.909 -9.337 21.589 1.00 72.12 O ATOM 574 CB PHE A 38 -16.744 -6.135 21.670 1.00 35.41 C ATOM 575 CG PHE A 38 -16.818 -4.899 22.519 1.00 23.40 C ATOM 576 CD1 PHE A 38 -17.425 -4.933 23.764 1.00 64.43 C ATOM 577 CD2 PHE A 38 -16.281 -3.702 22.072 1.00 13.51 C ATOM 578 CE1 PHE A 38 -17.495 -3.796 24.548 1.00 20.23 C ATOM 579 CE2 PHE A 38 -16.348 -2.562 22.852 1.00 23.43 C ATOM 580 CZ PHE A 38 -16.955 -2.610 24.091 1.00 34.05 C ATOM 0 H PHE A 38 -14.342 -5.899 22.161 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.344 -7.498 23.283 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.306 -5.878 20.706 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.755 -6.494 21.476 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -17.848 -5.858 24.126 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -15.805 -3.659 21.104 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -17.971 -3.835 25.516 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -15.926 -1.635 22.492 1.00 23.43 H new ATOM 0 HZ PHE A 38 -17.007 -1.721 24.702 1.00 34.05 H new ATOM 590 N ASP A 39 -15.057 -8.648 20.514 1.00 22.51 N ATOM 591 CA ASP A 39 -15.017 -9.799 19.618 1.00 30.24 C ATOM 592 C ASP A 39 -14.022 -10.842 20.116 1.00 3.40 C ATOM 593 O ASP A 39 -13.545 -11.677 19.349 1.00 20.40 O ATOM 594 CB ASP A 39 -14.644 -9.356 18.202 1.00 73.22 C ATOM 595 CG ASP A 39 -15.821 -9.415 17.249 1.00 23.23 C ATOM 596 OD1 ASP A 39 -16.621 -10.368 17.353 1.00 51.04 O ATOM 597 OD2 ASP A 39 -15.941 -8.508 16.397 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.304 -7.975 20.370 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.009 -10.250 19.601 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -14.256 -8.338 18.233 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -13.842 -9.991 17.825 1.00 73.22 H new ATOM 602 N GLY A 40 -13.712 -10.786 21.408 1.00 73.03 N ATOM 603 CA GLY A 40 -12.775 -11.731 21.987 1.00 73.43 C ATOM 604 C GLY A 40 -11.385 -11.607 21.393 1.00 75.31 C ATOM 605 O GLY A 40 -10.628 -12.575 21.362 1.00 64.34 O ATOM 0 H GLY A 40 -14.093 -10.104 22.063 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -12.722 -11.572 23.064 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.144 -12.745 21.832 1.00 73.43 H new ATOM 609 N ASN A 41 -11.051 -10.411 20.921 1.00 12.43 N ATOM 610 CA ASN A 41 -9.744 -10.164 20.323 1.00 23.51 C ATOM 611 C ASN A 41 -8.884 -9.293 21.235 1.00 23.24 C ATOM 612 O ASN A 41 -9.353 -8.291 21.777 1.00 21.02 O ATOM 613 CB ASN A 41 -9.902 -9.490 18.958 1.00 52.24 C ATOM 614 CG ASN A 41 -10.336 -8.042 19.075 1.00 71.23 C ATOM 615 OD1 ASN A 41 -9.544 -7.174 19.446 1.00 52.35 O ATOM 616 ND2 ASN A 41 -11.598 -7.775 18.759 1.00 22.41 N ATOM 0 H ASN A 41 -11.667 -9.598 20.941 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.246 -11.125 20.191 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.956 -9.540 18.419 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -10.635 -10.039 18.367 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.947 -6.819 18.819 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -12.218 -8.526 18.457 1.00 22.41 H new ATOM 623 N PHE A 42 -7.624 -9.682 21.400 1.00 71.21 N ATOM 624 CA PHE A 42 -6.699 -8.938 22.247 1.00 52.03 C ATOM 625 C PHE A 42 -5.361 -8.734 21.542 1.00 31.22 C ATOM 626 O PHE A 42 -5.089 -9.350 20.512 1.00 60.33 O ATOM 627 CB PHE A 42 -6.484 -9.671 23.572 1.00 2.54 C ATOM 628 CG PHE A 42 -6.172 -11.131 23.405 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.859 -11.575 23.401 1.00 24.02 C ATOM 630 CD2 PHE A 42 -7.190 -12.057 23.251 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.569 -12.918 23.248 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.905 -13.401 23.099 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.593 -13.832 23.096 1.00 22.53 C ATOM 0 H PHE A 42 -7.220 -10.508 20.958 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.137 -7.960 22.449 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.668 -9.193 24.114 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.379 -9.567 24.185 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.054 -10.864 23.519 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -8.218 -11.725 23.250 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.542 -13.252 23.247 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.708 -14.114 22.983 1.00 3.45 H new ATOM 0 HZ PHE A 42 -5.368 -14.881 22.975 1.00 22.53 H new ATOM 643 N THR A 43 -4.529 -7.864 22.105 1.00 70.14 N ATOM 644 CA THR A 43 -3.220 -7.577 21.532 1.00 1.25 C ATOM 645 C THR A 43 -2.178 -7.356 22.623 1.00 72.34 C ATOM 646 O THR A 43 -2.324 -6.468 23.464 1.00 32.41 O ATOM 647 CB THR A 43 -3.266 -6.335 20.623 1.00 55.40 C ATOM 648 OG1 THR A 43 -1.936 -5.936 20.269 1.00 61.44 O ATOM 649 CG2 THR A 43 -3.978 -5.182 21.315 1.00 0.43 C ATOM 0 H THR A 43 -4.739 -7.345 22.958 1.00 70.14 H new ATOM 0 HA THR A 43 -2.939 -8.445 20.936 1.00 1.25 H new ATOM 0 HB THR A 43 -3.820 -6.595 19.721 1.00 55.40 H new ATOM 0 HG1 THR A 43 -1.975 -5.147 19.690 1.00 61.44 H new ATOM 0 HG21 THR A 43 -3.998 -4.316 20.653 1.00 0.43 H new ATOM 0 HG22 THR A 43 -4.999 -5.477 21.556 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.448 -4.925 22.232 1.00 0.43 H new ATOM 657 N LEU A 44 -1.128 -8.168 22.604 1.00 30.33 N ATOM 658 CA LEU A 44 -0.060 -8.061 23.592 1.00 30.51 C ATOM 659 C LEU A 44 1.283 -7.796 22.916 1.00 15.23 C ATOM 660 O LEU A 44 1.682 -8.517 22.003 1.00 43.42 O ATOM 661 CB LEU A 44 0.021 -9.341 24.426 1.00 2.24 C ATOM 662 CG LEU A 44 -0.517 -9.245 25.854 1.00 41.34 C ATOM 663 CD1 LEU A 44 -0.694 -10.634 26.451 1.00 14.32 C ATOM 664 CD2 LEU A 44 0.410 -8.405 26.719 1.00 72.23 C ATOM 0 H LEU A 44 -0.993 -8.908 21.915 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.289 -7.221 24.248 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -0.526 -10.126 23.905 1.00 2.24 H new ATOM 0 HB3 LEU A 44 1.064 -9.656 24.472 1.00 2.24 H new ATOM 0 HG LEU A 44 -1.491 -8.757 25.823 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -1.078 -10.547 27.468 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -1.399 -11.203 25.845 1.00 14.32 H new ATOM 0 HD13 LEU A 44 0.267 -11.148 26.469 1.00 14.32 H new ATOM 0 HD21 LEU A 44 0.011 -8.348 27.732 1.00 72.23 H new ATOM 0 HD22 LEU A 44 1.399 -8.863 26.744 1.00 72.23 H new ATOM 0 HD23 LEU A 44 0.486 -7.401 26.302 1.00 72.23 H new ATOM 676 N SER A 45 1.974 -6.757 23.374 1.00 73.42 N ATOM 677 CA SER A 45 3.271 -6.395 22.813 1.00 30.11 C ATOM 678 C SER A 45 4.398 -6.753 23.776 1.00 54.45 C ATOM 679 O SER A 45 4.513 -6.175 24.858 1.00 53.14 O ATOM 680 CB SER A 45 3.313 -4.899 22.494 1.00 12.24 C ATOM 681 OG SER A 45 4.292 -4.615 21.510 1.00 52.35 O ATOM 0 H SER A 45 1.658 -6.151 24.131 1.00 73.42 H new ATOM 0 HA SER A 45 3.411 -6.960 21.891 1.00 30.11 H new ATOM 0 HB2 SER A 45 2.334 -4.571 22.143 1.00 12.24 H new ATOM 0 HB3 SER A 45 3.531 -4.336 23.402 1.00 12.24 H new ATOM 0 HG SER A 45 4.298 -3.653 21.323 1.00 52.35 H new ATOM 687 N VAL A 46 5.229 -7.709 23.376 1.00 11.02 N ATOM 688 CA VAL A 46 6.349 -8.144 24.202 1.00 13.10 C ATOM 689 C VAL A 46 7.596 -8.381 23.357 1.00 41.33 C ATOM 690 O VAL A 46 7.523 -8.636 22.155 1.00 34.03 O ATOM 691 CB VAL A 46 6.011 -9.435 24.971 1.00 71.43 C ATOM 692 CG1 VAL A 46 5.129 -9.126 26.171 1.00 64.43 C ATOM 693 CG2 VAL A 46 5.340 -10.443 24.050 1.00 21.52 C ATOM 0 H VAL A 46 5.148 -8.198 22.484 1.00 11.02 H new ATOM 0 HA VAL A 46 6.544 -7.344 24.917 1.00 13.10 H new ATOM 0 HB VAL A 46 6.939 -9.874 25.337 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.900 -10.050 26.702 1.00 64.43 H new ATOM 0 HG12 VAL A 46 5.652 -8.442 26.840 1.00 64.43 H new ATOM 0 HG13 VAL A 46 4.202 -8.664 25.832 1.00 64.43 H new ATOM 0 HG21 VAL A 46 5.108 -11.349 24.610 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.419 -10.016 23.653 1.00 21.52 H new ATOM 0 HG23 VAL A 46 6.011 -10.687 23.227 1.00 21.52 H new ATOM 703 N PRO A 47 8.771 -8.296 24.000 1.00 12.13 N ATOM 704 CA PRO A 47 10.057 -8.498 23.327 1.00 2.21 C ATOM 705 C PRO A 47 10.275 -9.950 22.917 1.00 41.24 C ATOM 706 O PRO A 47 10.649 -10.236 21.780 1.00 33.23 O ATOM 707 CB PRO A 47 11.081 -8.082 24.386 1.00 32.44 C ATOM 708 CG PRO A 47 10.386 -8.289 25.687 1.00 60.01 C ATOM 709 CD PRO A 47 8.934 -7.995 25.432 1.00 52.01 C ATOM 0 HA PRO A 47 10.126 -7.928 22.401 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.986 -8.686 24.320 1.00 32.44 H new ATOM 0 HB3 PRO A 47 11.382 -7.042 24.259 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.521 -9.310 26.043 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.789 -7.628 26.454 1.00 60.01 H new ATOM 0 HD2 PRO A 47 8.284 -8.615 26.049 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.689 -6.956 25.655 1.00 52.01 H new ATOM 717 N VAL A 48 10.039 -10.866 23.852 1.00 62.33 N ATOM 718 CA VAL A 48 10.207 -12.290 23.588 1.00 40.41 C ATOM 719 C VAL A 48 8.875 -12.947 23.248 1.00 23.10 C ATOM 720 O VAL A 48 7.824 -12.526 23.726 1.00 71.24 O ATOM 721 CB VAL A 48 10.833 -13.014 24.794 1.00 11.01 C ATOM 722 CG1 VAL A 48 9.902 -12.952 25.995 1.00 61.40 C ATOM 723 CG2 VAL A 48 11.161 -14.456 24.438 1.00 30.33 C ATOM 0 H VAL A 48 9.731 -10.647 24.799 1.00 62.33 H new ATOM 0 HA VAL A 48 10.879 -12.377 22.734 1.00 40.41 H new ATOM 0 HB VAL A 48 11.762 -12.508 25.057 1.00 11.01 H new ATOM 0 HG11 VAL A 48 10.361 -13.469 26.838 1.00 61.40 H new ATOM 0 HG12 VAL A 48 9.722 -11.911 26.262 1.00 61.40 H new ATOM 0 HG13 VAL A 48 8.955 -13.432 25.747 1.00 61.40 H new ATOM 0 HG21 VAL A 48 11.603 -14.953 25.302 1.00 30.33 H new ATOM 0 HG22 VAL A 48 10.248 -14.976 24.148 1.00 30.33 H new ATOM 0 HG23 VAL A 48 11.868 -14.474 23.608 1.00 30.33 H new ATOM 733 N ASN A 49 8.928 -13.984 22.418 1.00 53.04 N ATOM 734 CA ASN A 49 7.723 -14.702 22.014 1.00 3.42 C ATOM 735 C ASN A 49 7.412 -15.833 22.989 1.00 15.14 C ATOM 736 O ASN A 49 7.222 -16.981 22.584 1.00 41.55 O ATOM 737 CB ASN A 49 7.890 -15.262 20.600 1.00 63.41 C ATOM 738 CG ASN A 49 8.498 -14.253 19.647 1.00 20.23 C ATOM 739 OD1 ASN A 49 9.633 -14.415 19.196 1.00 0.21 O ATOM 740 ND2 ASN A 49 7.745 -13.205 19.334 1.00 2.13 N ATOM 0 H ASN A 49 9.791 -14.346 22.012 1.00 53.04 H new ATOM 0 HA ASN A 49 6.889 -14.000 22.023 1.00 3.42 H new ATOM 0 HB2 ASN A 49 8.521 -16.150 20.636 1.00 63.41 H new ATOM 0 HB3 ASN A 49 6.918 -15.577 20.220 1.00 63.41 H new ATOM 0 HD21 ASN A 49 8.101 -12.493 18.696 1.00 2.13 H new ATOM 0 HD22 ASN A 49 6.810 -13.112 19.731 1.00 2.13 H new ATOM 747 N SER A 50 7.359 -15.503 24.275 1.00 44.25 N ATOM 748 CA SER A 50 7.074 -16.491 25.308 1.00 32.14 C ATOM 749 C SER A 50 5.632 -16.978 25.209 1.00 64.13 C ATOM 750 O SER A 50 4.931 -16.691 24.238 1.00 43.22 O ATOM 751 CB SER A 50 7.330 -15.898 26.695 1.00 24.20 C ATOM 752 OG SER A 50 7.730 -16.902 27.612 1.00 2.44 O ATOM 0 H SER A 50 7.510 -14.558 24.627 1.00 44.25 H new ATOM 0 HA SER A 50 7.738 -17.342 25.156 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.103 -15.132 26.630 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.426 -15.409 27.058 1.00 24.20 H new ATOM 0 HG SER A 50 7.889 -16.498 28.491 1.00 2.44 H new ATOM 758 N THR A 51 5.193 -17.720 26.222 1.00 5.13 N ATOM 759 CA THR A 51 3.836 -18.249 26.251 1.00 65.34 C ATOM 760 C THR A 51 2.869 -17.251 26.877 1.00 50.11 C ATOM 761 O THR A 51 3.276 -16.376 27.643 1.00 60.11 O ATOM 762 CB THR A 51 3.767 -19.575 27.031 1.00 55.53 C ATOM 763 OG1 THR A 51 5.025 -20.252 26.960 1.00 72.33 O ATOM 764 CG2 THR A 51 2.669 -20.472 26.479 1.00 1.44 C ATOM 0 H THR A 51 5.759 -17.968 27.033 1.00 5.13 H new ATOM 0 HA THR A 51 3.545 -18.430 25.216 1.00 65.34 H new ATOM 0 HB THR A 51 3.537 -19.346 28.072 1.00 55.53 H new ATOM 0 HG1 THR A 51 4.972 -21.093 27.460 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.640 -21.402 27.046 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.708 -19.965 26.564 1.00 1.44 H new ATOM 0 HG23 THR A 51 2.872 -20.692 25.431 1.00 1.44 H new ATOM 772 N LEU A 52 1.590 -17.389 26.550 1.00 33.00 N ATOM 773 CA LEU A 52 0.563 -16.498 27.082 1.00 60.43 C ATOM 774 C LEU A 52 -0.549 -17.293 27.758 1.00 61.44 C ATOM 775 O LEU A 52 -1.151 -18.179 27.151 1.00 62.04 O ATOM 776 CB LEU A 52 -0.019 -15.633 25.963 1.00 25.32 C ATOM 777 CG LEU A 52 0.638 -14.267 25.760 1.00 24.22 C ATOM 778 CD1 LEU A 52 2.144 -14.415 25.614 1.00 0.43 C ATOM 779 CD2 LEU A 52 0.048 -13.567 24.545 1.00 44.14 C ATOM 0 H LEU A 52 1.238 -18.109 25.919 1.00 33.00 H new ATOM 0 HA LEU A 52 1.027 -15.852 27.827 1.00 60.43 H new ATOM 0 HB2 LEU A 52 0.049 -16.189 25.028 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -1.079 -15.478 26.165 1.00 25.32 H new ATOM 0 HG LEU A 52 0.438 -13.655 26.639 1.00 24.22 H new ATOM 0 HD11 LEU A 52 2.594 -13.433 25.470 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.553 -14.874 26.514 1.00 0.43 H new ATOM 0 HD13 LEU A 52 2.366 -15.045 24.753 1.00 0.43 H new ATOM 0 HD21 LEU A 52 0.527 -12.597 24.416 1.00 44.14 H new ATOM 0 HD22 LEU A 52 0.216 -14.176 23.657 1.00 44.14 H new ATOM 0 HD23 LEU A 52 -1.023 -13.426 24.691 1.00 44.14 H new ATOM 791 N LYS A 53 -0.820 -16.968 29.017 1.00 74.15 N ATOM 792 CA LYS A 53 -1.864 -17.648 29.776 1.00 74.21 C ATOM 793 C LYS A 53 -3.120 -16.788 29.865 1.00 31.10 C ATOM 794 O LYS A 53 -3.063 -15.628 30.275 1.00 13.00 O ATOM 795 CB LYS A 53 -1.363 -17.984 31.182 1.00 14.13 C ATOM 796 CG LYS A 53 -2.451 -18.497 32.108 1.00 13.04 C ATOM 797 CD LYS A 53 -1.889 -19.436 33.164 1.00 71.31 C ATOM 798 CE LYS A 53 -2.914 -19.735 34.247 1.00 44.24 C ATOM 799 NZ LYS A 53 -2.501 -20.884 35.100 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.331 -16.237 29.534 1.00 74.15 H new ATOM 0 HA LYS A 53 -2.114 -18.572 29.255 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.576 -18.735 31.109 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.914 -17.093 31.621 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -2.943 -17.655 32.594 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -3.211 -19.017 31.525 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -1.573 -20.367 32.693 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -1.002 -18.990 33.614 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -3.052 -18.851 34.870 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -3.877 -19.953 33.785 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -3.226 -21.056 35.826 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -2.394 -21.734 34.510 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -1.595 -20.666 35.561 1.00 24.22 H new ATOM 813 N ILE A 54 -4.254 -17.363 29.478 1.00 64.31 N ATOM 814 CA ILE A 54 -5.525 -16.650 29.517 1.00 34.23 C ATOM 815 C ILE A 54 -6.550 -17.399 30.361 1.00 24.45 C ATOM 816 O ILE A 54 -6.645 -18.624 30.300 1.00 52.53 O ATOM 817 CB ILE A 54 -6.096 -16.440 28.103 1.00 12.32 C ATOM 818 CG1 ILE A 54 -5.116 -15.633 27.248 1.00 50.32 C ATOM 819 CG2 ILE A 54 -7.445 -15.740 28.174 1.00 55.33 C ATOM 820 CD1 ILE A 54 -4.306 -16.482 26.292 1.00 73.40 C ATOM 0 H ILE A 54 -4.318 -18.321 29.134 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.327 -15.678 29.968 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.239 -17.415 27.637 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -5.672 -14.888 26.678 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -4.436 -15.090 27.904 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.835 -15.599 27.166 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.141 -16.349 28.751 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -7.326 -14.770 28.656 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.633 -15.844 25.719 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -3.723 -17.210 26.856 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -4.978 -17.005 25.611 1.00 73.40 H new ATOM 832 N THR A 55 -7.318 -16.653 31.149 1.00 53.10 N ATOM 833 CA THR A 55 -8.339 -17.244 32.005 1.00 62.11 C ATOM 834 C THR A 55 -9.596 -16.384 32.037 1.00 50.41 C ATOM 835 O THR A 55 -9.519 -15.157 32.095 1.00 11.34 O ATOM 836 CB THR A 55 -7.823 -17.435 33.444 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.406 -16.176 33.985 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.662 -18.417 33.478 1.00 13.32 C ATOM 0 H THR A 55 -7.252 -15.637 31.212 1.00 53.10 H new ATOM 0 HA THR A 55 -8.581 -18.219 31.581 1.00 62.11 H new ATOM 0 HB THR A 55 -8.636 -17.839 34.047 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.081 -16.305 34.900 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.315 -18.535 34.505 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.990 -19.382 33.093 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.847 -18.038 32.861 1.00 13.32 H new ATOM 846 N TYR A 56 -10.753 -17.036 32.001 1.00 11.42 N ATOM 847 CA TYR A 56 -12.029 -16.329 32.025 1.00 11.02 C ATOM 848 C TYR A 56 -12.983 -16.961 33.033 1.00 62.40 C ATOM 849 O TYR A 56 -13.334 -18.136 32.921 1.00 41.44 O ATOM 850 CB TYR A 56 -12.665 -16.334 30.633 1.00 44.12 C ATOM 851 CG TYR A 56 -13.895 -15.461 30.527 1.00 65.43 C ATOM 852 CD1 TYR A 56 -13.888 -14.155 31.003 1.00 22.43 C ATOM 853 CD2 TYR A 56 -15.064 -15.942 29.951 1.00 4.15 C ATOM 854 CE1 TYR A 56 -15.010 -13.354 30.909 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.190 -15.149 29.851 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.158 -13.855 30.331 1.00 31.42 C ATOM 857 OH TYR A 56 -17.279 -13.062 30.234 1.00 41.25 O ATOM 0 H TYR A 56 -10.834 -18.052 31.955 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.839 -15.299 32.327 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -11.927 -15.998 29.904 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -12.932 -17.357 30.368 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -12.990 -13.759 31.454 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -15.093 -16.954 29.575 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -14.988 -12.342 31.286 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -17.091 -15.539 29.400 1.00 41.03 H new ATOM 0 HH TYR A 56 -17.053 -12.231 29.766 1.00 41.25 H new ATOM 867 N ILE A 57 -13.400 -16.173 34.018 1.00 62.21 N ATOM 868 CA ILE A 57 -14.315 -16.653 35.046 1.00 35.22 C ATOM 869 C ILE A 57 -15.541 -17.313 34.426 1.00 41.02 C ATOM 870 O ILE A 57 -16.320 -16.666 33.727 1.00 74.23 O ATOM 871 CB ILE A 57 -14.774 -15.510 35.971 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.796 -16.025 36.986 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.359 -14.369 35.152 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.277 -17.155 37.847 1.00 34.03 C ATOM 0 H ILE A 57 -13.119 -15.199 34.126 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.768 -17.389 35.636 1.00 35.22 H new ATOM 0 HB ILE A 57 -13.909 -15.133 36.516 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.104 -15.201 37.629 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -16.685 -16.363 36.454 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.679 -13.569 35.819 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.602 -13.988 34.466 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.215 -14.731 34.583 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.055 -17.469 38.543 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -14.996 -17.996 37.213 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -14.405 -16.815 38.407 1.00 34.03 H new ATOM 886 N GLY A 58 -15.708 -18.606 34.688 1.00 41.22 N ATOM 887 CA GLY A 58 -16.842 -19.332 34.148 1.00 34.45 C ATOM 888 C GLY A 58 -16.435 -20.627 33.475 1.00 45.03 C ATOM 889 O GLY A 58 -16.938 -21.698 33.817 1.00 23.42 O ATOM 0 H GLY A 58 -15.078 -19.163 35.265 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.546 -19.549 34.951 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.364 -18.701 33.429 1.00 34.45 H new ATOM 893 N TYR A 59 -15.524 -20.531 32.514 1.00 61.23 N ATOM 894 CA TYR A 59 -15.052 -21.705 31.788 1.00 30.13 C ATOM 895 C TYR A 59 -13.616 -22.046 32.178 1.00 1.25 C ATOM 896 O TYR A 59 -12.948 -21.278 32.869 1.00 60.34 O ATOM 897 CB TYR A 59 -15.139 -21.465 30.279 1.00 42.25 C ATOM 898 CG TYR A 59 -16.557 -21.395 29.759 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.040 -22.349 28.871 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.415 -20.376 30.154 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.334 -22.288 28.392 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.711 -20.308 29.683 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.167 -21.267 28.801 1.00 4.31 C ATOM 904 OH TYR A 59 -20.456 -21.203 28.327 1.00 24.41 O ATOM 0 H TYR A 59 -15.097 -19.653 32.219 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.691 -22.547 32.054 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.626 -20.534 30.037 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.610 -22.265 29.761 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.392 -23.152 28.550 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.061 -19.623 30.843 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.692 -23.036 27.700 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.364 -19.509 30.003 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.908 -20.424 28.714 1.00 24.41 H new ATOM 914 N LYS A 60 -13.149 -23.205 31.727 1.00 52.23 N ATOM 915 CA LYS A 60 -11.792 -23.650 32.025 1.00 72.32 C ATOM 916 C LYS A 60 -10.763 -22.685 31.447 1.00 51.35 C ATOM 917 O LYS A 60 -11.038 -21.935 30.509 1.00 73.04 O ATOM 918 CB LYS A 60 -11.561 -25.056 31.466 1.00 13.13 C ATOM 919 CG LYS A 60 -12.121 -26.161 32.344 1.00 75.30 C ATOM 920 CD LYS A 60 -11.400 -27.478 32.111 1.00 4.44 C ATOM 921 CE LYS A 60 -11.950 -28.579 33.004 1.00 2.10 C ATOM 922 NZ LYS A 60 -11.545 -28.395 34.425 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.689 -23.853 31.154 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.673 -23.672 33.108 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.016 -25.124 30.478 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.490 -25.214 31.336 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -12.030 -25.876 33.392 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.184 -26.286 32.139 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.502 -27.770 31.066 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -10.335 -27.350 32.303 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -13.038 -28.593 32.935 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -11.596 -29.546 32.648 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -11.714 -29.276 34.951 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -10.534 -28.154 34.469 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -12.103 -27.626 34.848 1.00 3.41 H new ATOM 936 N PRO A 61 -9.548 -22.703 32.015 1.00 20.42 N ATOM 937 CA PRO A 61 -8.453 -21.836 31.569 1.00 52.34 C ATOM 938 C PRO A 61 -7.923 -22.231 30.195 1.00 43.11 C ATOM 939 O PRO A 61 -8.286 -23.277 29.656 1.00 71.32 O ATOM 940 CB PRO A 61 -7.377 -22.047 32.638 1.00 12.55 C ATOM 941 CG PRO A 61 -7.657 -23.399 33.196 1.00 64.21 C ATOM 942 CD PRO A 61 -9.151 -23.571 33.136 1.00 62.33 C ATOM 0 HA PRO A 61 -8.771 -20.799 31.463 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.377 -21.996 32.208 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.432 -21.281 33.411 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.152 -24.172 32.617 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.296 -23.481 34.221 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.429 -24.610 32.958 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.628 -23.268 34.068 1.00 62.33 H new ATOM 950 N VAL A 62 -7.063 -21.388 29.632 1.00 41.12 N ATOM 951 CA VAL A 62 -6.482 -21.650 28.321 1.00 22.22 C ATOM 952 C VAL A 62 -5.105 -21.009 28.192 1.00 13.54 C ATOM 953 O VAL A 62 -4.879 -19.895 28.666 1.00 74.11 O ATOM 954 CB VAL A 62 -7.389 -21.126 27.191 1.00 23.31 C ATOM 955 CG1 VAL A 62 -7.510 -19.611 27.263 1.00 24.54 C ATOM 956 CG2 VAL A 62 -6.855 -21.562 25.835 1.00 33.21 C ATOM 0 H VAL A 62 -6.753 -20.517 30.064 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.386 -22.732 28.227 1.00 22.22 H new ATOM 0 HB VAL A 62 -8.384 -21.553 27.319 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -8.154 -19.259 26.457 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -7.940 -19.326 28.223 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -6.522 -19.162 27.160 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -7.507 -21.183 25.048 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -5.850 -21.165 25.695 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.825 -22.651 25.789 1.00 33.21 H new ATOM 966 N THR A 63 -4.186 -21.719 27.546 1.00 11.33 N ATOM 967 CA THR A 63 -2.830 -21.222 27.354 1.00 11.40 C ATOM 968 C THR A 63 -2.385 -21.382 25.906 1.00 54.21 C ATOM 969 O THR A 63 -2.596 -22.429 25.293 1.00 35.44 O ATOM 970 CB THR A 63 -1.829 -21.950 28.271 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.079 -23.360 28.248 1.00 22.11 O ATOM 972 CG2 THR A 63 -1.930 -21.436 29.700 1.00 60.11 C ATOM 0 H THR A 63 -4.357 -22.642 27.146 1.00 11.33 H new ATOM 0 HA THR A 63 -2.843 -20.163 27.612 1.00 11.40 H new ATOM 0 HB THR A 63 -0.823 -21.753 27.901 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.437 -23.816 28.832 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.214 -21.965 30.328 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.710 -20.369 29.719 1.00 60.11 H new ATOM 0 HG23 THR A 63 -2.938 -21.606 30.077 1.00 60.11 H new ATOM 980 N VAL A 64 -1.767 -20.339 25.363 1.00 54.51 N ATOM 981 CA VAL A 64 -1.289 -20.364 23.985 1.00 53.21 C ATOM 982 C VAL A 64 -0.092 -19.439 23.800 1.00 13.32 C ATOM 983 O VAL A 64 0.028 -18.418 24.477 1.00 10.04 O ATOM 984 CB VAL A 64 -2.399 -19.955 22.998 1.00 74.21 C ATOM 985 CG1 VAL A 64 -3.422 -21.070 22.851 1.00 21.00 C ATOM 986 CG2 VAL A 64 -3.065 -18.665 23.453 1.00 14.45 C ATOM 0 H VAL A 64 -1.585 -19.465 25.856 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.986 -21.390 23.774 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.947 -19.780 22.022 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.198 -20.762 22.150 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -2.930 -21.968 22.477 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -3.872 -21.281 23.821 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.847 -18.390 22.745 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.504 -18.811 24.440 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -2.322 -17.869 23.501 1.00 14.45 H new ATOM 996 N LYS A 65 0.793 -19.802 22.878 1.00 23.50 N ATOM 997 CA LYS A 65 1.981 -19.004 22.601 1.00 33.44 C ATOM 998 C LYS A 65 1.607 -17.684 21.934 1.00 51.13 C ATOM 999 O LYS A 65 0.573 -17.582 21.276 1.00 14.12 O ATOM 1000 CB LYS A 65 2.947 -19.784 21.706 1.00 53.40 C ATOM 1001 CG LYS A 65 3.609 -20.959 22.405 1.00 44.43 C ATOM 1002 CD LYS A 65 4.884 -20.539 23.116 1.00 43.14 C ATOM 1003 CE LYS A 65 5.884 -21.683 23.187 1.00 1.42 C ATOM 1004 NZ LYS A 65 5.677 -22.528 24.396 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.710 -20.645 22.309 1.00 23.50 H new ATOM 0 HA LYS A 65 2.470 -18.785 23.550 1.00 33.44 H new ATOM 0 HB2 LYS A 65 2.406 -20.149 20.833 1.00 53.40 H new ATOM 0 HB3 LYS A 65 3.719 -19.106 21.342 1.00 53.40 H new ATOM 0 HG2 LYS A 65 2.915 -21.392 23.126 1.00 44.43 H new ATOM 0 HG3 LYS A 65 3.837 -21.736 21.675 1.00 44.43 H new ATOM 0 HD2 LYS A 65 5.332 -19.694 22.593 1.00 43.14 H new ATOM 0 HD3 LYS A 65 4.645 -20.200 24.124 1.00 43.14 H new ATOM 0 HE2 LYS A 65 5.794 -22.300 22.293 1.00 1.42 H new ATOM 0 HE3 LYS A 65 6.897 -21.280 23.195 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 6.378 -23.296 24.407 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 5.788 -21.945 25.250 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 4.720 -22.934 24.376 1.00 70.32 H new ATOM 1018 N ALA A 66 2.456 -16.677 22.108 1.00 25.33 N ATOM 1019 CA ALA A 66 2.216 -15.365 21.519 1.00 72.41 C ATOM 1020 C ALA A 66 2.553 -15.360 20.032 1.00 62.14 C ATOM 1021 O ALA A 66 3.479 -14.677 19.598 1.00 13.22 O ATOM 1022 CB ALA A 66 3.025 -14.303 22.249 1.00 71.52 C ATOM 0 H ALA A 66 3.316 -16.744 22.652 1.00 25.33 H new ATOM 0 HA ALA A 66 1.156 -15.135 21.625 1.00 72.41 H new ATOM 0 HB1 ALA A 66 2.836 -13.328 21.799 1.00 71.52 H new ATOM 0 HB2 ALA A 66 2.733 -14.281 23.299 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.087 -14.538 22.173 1.00 71.52 H new ATOM 1028 N ALA A 67 1.793 -16.127 19.256 1.00 60.43 N ATOM 1029 CA ALA A 67 2.012 -16.210 17.817 1.00 33.34 C ATOM 1030 C ALA A 67 1.195 -15.156 17.077 1.00 63.13 C ATOM 1031 O ALA A 67 0.540 -14.317 17.696 1.00 55.04 O ATOM 1032 CB ALA A 67 1.664 -17.601 17.310 1.00 32.31 C ATOM 0 H ALA A 67 1.021 -16.699 19.599 1.00 60.43 H new ATOM 0 HA ALA A 67 3.067 -16.018 17.623 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.832 -17.649 16.234 1.00 32.31 H new ATOM 0 HB2 ALA A 67 2.293 -18.338 17.809 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.617 -17.815 17.523 1.00 32.31 H new ATOM 1038 N ALA A 68 1.239 -15.204 15.750 1.00 60.23 N ATOM 1039 CA ALA A 68 0.501 -14.254 14.926 1.00 73.13 C ATOM 1040 C ALA A 68 -1.002 -14.411 15.119 1.00 2.42 C ATOM 1041 O ALA A 68 -1.699 -13.451 15.449 1.00 53.41 O ATOM 1042 CB ALA A 68 0.869 -14.431 13.460 1.00 13.31 C ATOM 0 H ALA A 68 1.778 -15.891 15.222 1.00 60.23 H new ATOM 0 HA ALA A 68 0.777 -13.247 15.240 1.00 73.13 H new ATOM 0 HB1 ALA A 68 0.311 -13.716 12.856 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.938 -14.260 13.330 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.622 -15.444 13.143 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.497 -15.627 14.912 1.00 72.31 N ATOM 1049 CA ILE A 69 -2.920 -15.909 15.063 1.00 43.13 C ATOM 1050 C ILE A 69 -3.147 -17.114 15.969 1.00 23.51 C ATOM 1051 O ILE A 69 -2.452 -18.125 15.862 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.590 -16.169 13.702 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.130 -15.133 12.674 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.104 -16.145 13.844 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -3.385 -13.704 13.103 1.00 23.11 C ATOM 0 H ILE A 69 -0.934 -16.433 14.639 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.371 -15.026 15.516 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.292 -17.157 13.351 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -2.064 -15.264 12.490 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -3.642 -15.318 11.730 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.563 -16.330 12.873 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.416 -16.918 14.547 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.419 -15.169 14.214 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -3.034 -13.023 12.327 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -4.454 -13.556 13.260 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -2.851 -13.502 14.031 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.127 -17.002 16.860 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.449 -18.084 17.783 1.00 74.42 C ATOM 1069 C VAL A 70 -5.947 -18.138 18.065 1.00 52.51 C ATOM 1070 O VAL A 70 -6.526 -17.184 18.581 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.692 -17.929 19.115 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.955 -16.560 19.723 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -4.085 -19.036 20.082 1.00 74.33 C ATOM 0 H VAL A 70 -4.712 -16.173 16.962 1.00 42.53 H new ATOM 0 HA VAL A 70 -4.139 -19.012 17.304 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.623 -18.012 18.918 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.412 -16.469 20.664 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.619 -15.785 19.034 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -5.023 -16.443 19.908 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -3.541 -18.911 21.018 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -5.157 -18.986 20.276 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.840 -20.004 19.646 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.567 -19.262 17.722 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.999 -19.441 17.939 1.00 11.52 C ATOM 1085 C ASN A 71 -8.265 -20.633 18.854 1.00 55.40 C ATOM 1086 O ASN A 71 -8.075 -21.784 18.463 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.717 -19.639 16.603 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.683 -18.394 15.737 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -9.298 -17.321 16.221 1.00 10.31 O flip ATOM 1090 ND2 ASN A 71 -8.110 -18.398 14.648 1.00 50.40 N flip ATOM 0 H ASN A 71 -6.102 -20.062 17.293 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.384 -18.542 18.421 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -8.254 -20.466 16.064 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.753 -19.920 16.789 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -7.651 -19.246 14.317 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -8.094 -17.553 14.077 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.708 -20.347 20.074 1.00 51.53 N ATOM 1098 CA VAL A 72 -9.004 -21.394 21.044 1.00 24.20 C ATOM 1099 C VAL A 72 -10.433 -21.278 21.561 1.00 31.43 C ATOM 1100 O VAL A 72 -10.987 -20.181 21.647 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.032 -21.342 22.240 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.198 -22.573 23.117 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.597 -21.213 21.753 1.00 24.11 C ATOM 0 H VAL A 72 -8.870 -19.399 20.414 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.884 -22.346 20.527 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.268 -20.464 22.841 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.504 -22.519 23.956 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.220 -22.616 23.494 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.989 -23.468 22.531 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -5.924 -21.178 22.610 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.346 -22.071 21.129 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.491 -20.298 21.171 1.00 24.11 H new ATOM 1113 N LEU A 73 -11.027 -22.416 21.903 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.394 -22.443 22.413 1.00 72.02 C ATOM 1115 C LEU A 73 -12.408 -22.643 23.925 1.00 3.23 C ATOM 1116 O LEU A 73 -11.559 -23.345 24.477 1.00 44.43 O ATOM 1117 CB LEU A 73 -13.191 -23.556 21.731 1.00 3.23 C ATOM 1118 CG LEU A 73 -13.297 -23.471 20.208 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -12.108 -24.153 19.551 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -14.602 -24.090 19.729 1.00 64.32 C ATOM 0 H LEU A 73 -10.584 -23.332 21.837 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.858 -21.483 22.189 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -12.736 -24.512 21.990 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -14.199 -23.560 22.145 1.00 3.23 H new ATOM 0 HG LEU A 73 -13.290 -22.420 19.921 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -12.201 -24.082 18.467 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -11.187 -23.664 19.869 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -12.082 -25.202 19.845 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -14.660 -24.021 18.643 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -14.639 -25.137 20.028 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -15.442 -23.556 20.172 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.378 -22.025 24.590 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.504 -22.137 26.038 1.00 22.25 C ATOM 1134 C LEU A 74 -14.333 -23.360 26.419 1.00 10.24 C ATOM 1135 O LEU A 74 -15.495 -23.478 26.032 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.145 -20.873 26.613 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.371 -20.179 27.734 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.948 -19.878 27.292 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.081 -18.902 28.161 1.00 34.41 C ATOM 0 H LEU A 74 -14.089 -21.441 24.149 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.505 -22.253 26.457 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.287 -20.160 25.801 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.136 -21.130 26.988 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.329 -20.851 28.591 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.412 -19.384 28.102 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.442 -20.809 27.037 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -11.968 -19.225 26.420 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.516 -18.421 28.960 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.155 -18.225 27.310 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.081 -19.144 28.519 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.728 -24.266 27.181 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.411 -25.478 27.615 1.00 73.42 C ATOM 1153 C GLU A 75 -15.117 -25.256 28.950 1.00 44.11 C ATOM 1154 O GLU A 75 -14.588 -24.591 29.839 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.418 -26.635 27.737 1.00 3.14 C ATOM 1156 CG GLU A 75 -12.671 -26.934 26.449 1.00 21.34 C ATOM 1157 CD GLU A 75 -12.241 -28.385 26.346 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -11.958 -28.994 27.399 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -12.189 -28.910 25.215 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.766 -24.183 27.510 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.160 -25.730 26.864 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.696 -26.402 28.520 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -13.953 -27.530 28.053 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -13.307 -26.686 25.599 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -11.791 -26.293 26.387 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.315 -25.819 29.080 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.094 -25.682 30.305 1.00 55.40 C ATOM 1168 C GLU A 76 -16.328 -26.236 31.502 1.00 52.44 C ATOM 1169 O GLU A 76 -15.638 -27.251 31.395 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.436 -26.402 30.166 1.00 21.40 C ATOM 1171 CG GLU A 76 -19.132 -26.143 28.840 1.00 75.12 C ATOM 1172 CD GLU A 76 -20.626 -26.393 28.906 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -21.231 -26.093 29.957 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -21.190 -26.889 27.909 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.766 -26.374 28.353 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.276 -24.620 30.472 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.277 -27.474 30.280 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.092 -26.089 30.978 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.953 -25.112 28.536 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -18.694 -26.782 28.073 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.454 -25.565 32.641 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.774 -25.990 33.859 1.00 14.13 C ATOM 1183 C ASP A 77 -16.748 -26.670 34.816 1.00 2.45 C ATOM 1184 O ASP A 77 -17.484 -26.006 35.547 1.00 35.31 O ATOM 1185 CB ASP A 77 -15.116 -24.793 34.546 1.00 0.41 C ATOM 1186 CG ASP A 77 -14.156 -25.211 35.643 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -13.337 -26.121 35.399 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -14.225 -24.627 36.745 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.021 -24.724 32.747 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.003 -26.709 33.583 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -14.580 -24.201 33.804 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -15.888 -24.150 34.968 1.00 0.41 H new ATOM 1193 N THR A 78 -16.750 -28.000 34.806 1.00 73.11 N ATOM 1194 CA THR A 78 -17.635 -28.769 35.670 1.00 32.45 C ATOM 1195 C THR A 78 -16.929 -29.174 36.960 1.00 35.21 C ATOM 1196 O THR A 78 -15.747 -28.887 37.147 1.00 74.43 O ATOM 1197 CB THR A 78 -18.150 -30.036 34.962 1.00 13.32 C ATOM 1198 OG1 THR A 78 -17.099 -30.627 34.188 1.00 10.33 O ATOM 1199 CG2 THR A 78 -19.329 -29.710 34.059 1.00 23.12 C ATOM 0 H THR A 78 -16.148 -28.566 34.208 1.00 73.11 H new ATOM 0 HA THR A 78 -18.481 -28.125 35.908 1.00 32.45 H new ATOM 0 HB THR A 78 -18.481 -30.742 35.724 1.00 13.32 H new ATOM 0 HG1 THR A 78 -17.434 -31.433 33.743 1.00 10.33 H new ATOM 0 HG21 THR A 78 -19.675 -30.620 33.570 1.00 23.12 H new ATOM 0 HG22 THR A 78 -20.138 -29.288 34.655 1.00 23.12 H new ATOM 0 HG23 THR A 78 -19.020 -28.987 33.304 1.00 23.12 H new ATOM 1207 N GLN A 79 -17.661 -29.842 37.846 1.00 71.11 N ATOM 1208 CA GLN A 79 -17.105 -30.284 39.119 1.00 23.05 C ATOM 1209 C GLN A 79 -15.812 -31.067 38.904 1.00 15.21 C ATOM 1210 O GLN A 79 -15.722 -31.899 38.002 1.00 62.32 O ATOM 1211 CB GLN A 79 -18.118 -31.147 39.871 1.00 33.22 C ATOM 1212 CG GLN A 79 -17.810 -31.298 41.351 1.00 21.24 C ATOM 1213 CD GLN A 79 -18.602 -32.416 42.002 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -19.482 -32.169 42.828 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -18.292 -33.653 41.632 1.00 4.20 N ATOM 0 H GLN A 79 -18.641 -30.089 37.705 1.00 71.11 H new ATOM 0 HA GLN A 79 -16.880 -29.400 39.715 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -19.110 -30.710 39.758 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -18.151 -32.135 39.413 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -16.745 -31.491 41.479 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -18.027 -30.359 41.861 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -17.555 -33.810 40.944 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -18.790 -34.446 42.036 1.00 4.20 H new ATOM 1224 N MET A 80 -14.815 -30.792 39.738 1.00 10.55 N ATOM 1225 CA MET A 80 -13.529 -31.472 39.640 1.00 33.12 C ATOM 1226 C MET A 80 -13.712 -32.986 39.629 1.00 54.10 C ATOM 1227 O MET A 80 -14.471 -33.535 40.429 1.00 32.25 O ATOM 1228 CB MET A 80 -12.622 -31.065 40.804 1.00 43.24 C ATOM 1229 CG MET A 80 -13.279 -31.215 42.167 1.00 33.52 C ATOM 1230 SD MET A 80 -13.364 -29.659 43.072 1.00 41.55 S ATOM 1231 CE MET A 80 -11.623 -29.280 43.258 1.00 74.23 C ATOM 0 H MET A 80 -14.873 -30.104 40.489 1.00 10.55 H new ATOM 0 HA MET A 80 -13.061 -31.174 38.702 1.00 33.12 H new ATOM 0 HB2 MET A 80 -11.716 -31.671 40.777 1.00 43.24 H new ATOM 0 HB3 MET A 80 -12.315 -30.028 40.670 1.00 43.24 H new ATOM 0 HG2 MET A 80 -14.286 -31.612 42.039 1.00 33.52 H new ATOM 0 HG3 MET A 80 -12.722 -31.944 42.756 1.00 33.52 H new ATOM 0 HE1 MET A 80 -11.487 -28.597 44.097 1.00 74.23 H new ATOM 0 HE2 MET A 80 -11.068 -30.200 43.445 1.00 74.23 H new ATOM 0 HE3 MET A 80 -11.253 -28.812 42.346 1.00 74.23 H new ATOM 1241 N VAL A 81 -13.015 -33.656 38.717 1.00 0.53 N ATOM 1242 CA VAL A 81 -13.102 -35.107 38.602 1.00 1.25 C ATOM 1243 C VAL A 81 -11.821 -35.773 39.094 1.00 62.43 C ATOM 1244 O VAL A 81 -11.076 -36.363 38.310 1.00 3.11 O ATOM 1245 CB VAL A 81 -13.368 -35.540 37.149 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -14.803 -35.229 36.753 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -12.386 -34.864 36.203 1.00 54.24 C ATOM 0 H VAL A 81 -12.384 -33.217 38.047 1.00 0.53 H new ATOM 0 HA VAL A 81 -13.937 -35.426 39.226 1.00 1.25 H new ATOM 0 HB VAL A 81 -13.222 -36.618 37.077 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -14.972 -35.542 35.723 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -15.486 -35.765 37.412 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -14.980 -34.157 36.840 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -12.589 -35.182 35.180 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -12.497 -33.782 36.276 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -11.368 -35.143 36.475 1.00 54.24 H new ATOM 1257 N ASP A 82 -11.572 -35.678 40.395 1.00 21.33 N ATOM 1258 CA ASP A 82 -10.382 -36.273 40.992 1.00 52.35 C ATOM 1259 C ASP A 82 -10.292 -37.758 40.658 1.00 42.13 C ATOM 1260 O ASP A 82 -11.299 -38.399 40.362 1.00 40.40 O ATOM 1261 CB ASP A 82 -10.396 -36.079 42.509 1.00 62.52 C ATOM 1262 CG ASP A 82 -11.463 -36.913 43.190 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -11.289 -37.241 44.382 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -12.473 -37.236 42.532 1.00 1.31 O1- ATOM 0 H ASP A 82 -12.179 -35.194 41.057 1.00 21.33 H new ATOM 0 HA ASP A 82 -9.507 -35.772 40.577 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -9.419 -36.342 42.915 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -10.562 -35.026 42.736 1.00 62.52 H new ATOM 1269 N GLU A 83 -9.078 -38.298 40.706 1.00 63.12 N ATOM 1270 CA GLU A 83 -8.857 -39.708 40.406 1.00 23.02 C ATOM 1271 C GLU A 83 -8.244 -40.429 41.602 1.00 10.51 C ATOM 1272 O GLU A 83 -7.057 -40.756 41.603 1.00 50.40 O ATOM 1273 CB GLU A 83 -7.945 -39.855 39.185 1.00 13.42 C ATOM 1274 CG GLU A 83 -8.067 -41.204 38.494 1.00 3.23 C ATOM 1275 CD GLU A 83 -7.428 -42.326 39.289 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -8.171 -43.086 39.945 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -6.185 -42.443 39.257 1.00 64.43 O1- ATOM 0 H GLU A 83 -8.233 -37.781 40.950 1.00 63.12 H new ATOM 0 HA GLU A 83 -9.823 -40.163 40.186 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -8.180 -39.067 38.469 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -6.910 -39.707 39.495 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -9.121 -41.432 38.333 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -7.599 -41.148 37.511 1.00 3.23 H new ATOM 1284 N VAL A 84 -9.062 -40.673 42.622 1.00 23.40 N ATOM 1285 CA VAL A 84 -8.601 -41.356 43.825 1.00 2.42 C ATOM 1286 C VAL A 84 -9.606 -42.408 44.277 1.00 11.52 C ATOM 1287 O VAL A 84 -10.814 -42.167 44.286 1.00 34.13 O ATOM 1288 CB VAL A 84 -8.360 -40.362 44.977 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -9.653 -39.648 45.345 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -7.774 -41.078 46.184 1.00 53.25 C ATOM 0 H VAL A 84 -10.047 -40.408 42.639 1.00 23.40 H new ATOM 0 HA VAL A 84 -7.659 -41.843 43.573 1.00 2.42 H new ATOM 0 HB VAL A 84 -7.642 -39.613 44.644 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -9.464 -38.950 46.160 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -10.026 -39.102 44.479 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -10.396 -40.381 45.660 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -7.610 -40.361 46.988 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -8.466 -41.849 46.521 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -6.825 -41.538 45.909 1.00 53.25 H new ATOM 1300 N VAL A 85 -9.100 -43.579 44.655 1.00 23.03 N ATOM 1301 CA VAL A 85 -9.953 -44.669 45.112 1.00 53.43 C ATOM 1302 C VAL A 85 -9.427 -45.273 46.408 1.00 23.44 C ATOM 1303 O VAL A 85 -8.218 -45.336 46.630 1.00 52.44 O ATOM 1304 CB VAL A 85 -10.064 -45.778 44.048 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -11.065 -46.837 44.483 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -10.453 -45.188 42.701 1.00 13.25 C ATOM 0 H VAL A 85 -8.103 -43.796 44.653 1.00 23.03 H new ATOM 0 HA VAL A 85 -10.941 -44.245 45.289 1.00 53.43 H new ATOM 0 HB VAL A 85 -9.089 -46.254 43.943 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -11.130 -47.612 43.719 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -10.739 -47.281 45.424 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -12.044 -46.378 44.618 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -10.527 -45.986 41.962 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -11.416 -44.685 42.789 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -9.696 -44.470 42.386 1.00 13.25 H new ATOM 1316 N VAL A 86 -10.343 -45.719 47.262 1.00 13.51 N ATOM 1317 CA VAL A 86 -9.970 -46.321 48.537 1.00 11.22 C ATOM 1318 C VAL A 86 -9.794 -47.829 48.401 1.00 63.12 C ATOM 1319 O VAL A 86 -9.909 -48.384 47.308 1.00 25.30 O ATOM 1320 CB VAL A 86 -11.025 -46.033 49.622 1.00 50.12 C ATOM 1321 CG1 VAL A 86 -11.169 -44.535 49.842 1.00 3.22 C ATOM 1322 CG2 VAL A 86 -12.360 -46.657 49.246 1.00 73.01 C ATOM 0 H VAL A 86 -11.348 -45.675 47.094 1.00 13.51 H new ATOM 0 HA VAL A 86 -9.022 -45.873 48.835 1.00 11.22 H new ATOM 0 HB VAL A 86 -10.692 -46.482 50.557 1.00 50.12 H new ATOM 0 HG11 VAL A 86 -11.918 -44.351 50.612 1.00 3.22 H new ATOM 0 HG12 VAL A 86 -10.212 -44.120 50.160 1.00 3.22 H new ATOM 0 HG13 VAL A 86 -11.479 -44.059 48.912 1.00 3.22 H new ATOM 0 HG21 VAL A 86 -13.093 -46.444 50.024 1.00 73.01 H new ATOM 0 HG22 VAL A 86 -12.703 -46.239 48.299 1.00 73.01 H new ATOM 0 HG23 VAL A 86 -12.242 -47.736 49.145 1.00 73.01 H new ATOM 1332 N THR A 87 -9.515 -48.489 49.522 1.00 32.30 N ATOM 1333 CA THR A 87 -9.322 -49.934 49.529 1.00 63.34 C ATOM 1334 C THR A 87 -10.651 -50.665 49.674 1.00 32.24 C ATOM 1335 O THR A 87 -11.631 -50.102 50.161 1.00 11.13 O ATOM 1336 CB THR A 87 -8.383 -50.369 50.670 1.00 65.24 C ATOM 1337 OG1 THR A 87 -8.055 -51.756 50.532 1.00 1.23 O ATOM 1338 CG2 THR A 87 -9.030 -50.128 52.025 1.00 64.13 C ATOM 0 H THR A 87 -9.418 -48.046 50.436 1.00 32.30 H new ATOM 0 HA THR A 87 -8.868 -50.197 48.574 1.00 63.34 H new ATOM 0 HB THR A 87 -7.473 -49.773 50.609 1.00 65.24 H new ATOM 0 HG1 THR A 87 -7.456 -52.025 51.260 1.00 1.23 H new ATOM 0 HG21 THR A 87 -8.348 -50.443 52.815 1.00 64.13 H new ATOM 0 HG22 THR A 87 -9.252 -49.067 52.139 1.00 64.13 H new ATOM 0 HG23 THR A 87 -9.954 -50.701 52.094 1.00 64.13 H new ATOM 1346 N GLY A 88 -10.679 -51.925 49.247 1.00 61.42 N ATOM 1347 CA GLY A 88 -11.894 -52.712 49.338 1.00 23.00 C ATOM 1348 C GLY A 88 -11.789 -53.822 50.366 1.00 61.32 C ATOM 1349 O GLY A 88 -12.689 -54.003 51.187 1.00 11.31 O ATOM 0 H GLY A 88 -9.881 -52.414 48.840 1.00 61.42 H new ATOM 0 HA2 GLY A 88 -12.728 -52.059 49.596 1.00 23.00 H new ATOM 0 HA3 GLY A 88 -12.118 -53.144 48.363 1.00 23.00 H new ATOM 1353 N TYR A 89 -10.691 -54.566 50.320 1.00 75.33 N ATOM 1354 CA TYR A 89 -10.474 -55.668 51.252 1.00 31.00 C ATOM 1355 C TYR A 89 -10.166 -55.144 52.652 1.00 2.11 C ATOM 1356 O TYR A 89 -9.466 -54.143 52.814 1.00 10.14 O ATOM 1357 CB TYR A 89 -9.330 -56.557 50.765 1.00 63.35 C ATOM 1358 CG TYR A 89 -8.959 -57.654 51.739 1.00 22.31 C ATOM 1359 CD1 TYR A 89 -7.858 -57.524 52.576 1.00 11.32 C ATOM 1360 CD2 TYR A 89 -9.712 -58.819 51.821 1.00 75.11 C ATOM 1361 CE1 TYR A 89 -7.516 -58.524 53.466 1.00 30.34 C ATOM 1362 CE2 TYR A 89 -9.377 -59.824 52.708 1.00 50.14 C ATOM 1363 CZ TYR A 89 -8.279 -59.672 53.529 1.00 73.01 C ATOM 1364 OH TYR A 89 -7.942 -60.669 54.414 1.00 13.23 O ATOM 0 H TYR A 89 -9.936 -54.427 49.648 1.00 75.33 H new ATOM 0 HA TYR A 89 -11.389 -56.258 51.298 1.00 31.00 H new ATOM 0 HB2 TYR A 89 -9.611 -57.007 49.813 1.00 63.35 H new ATOM 0 HB3 TYR A 89 -8.453 -55.937 50.578 1.00 63.35 H new ATOM 0 HD1 TYR A 89 -7.259 -56.626 52.530 1.00 11.32 H new ATOM 0 HD2 TYR A 89 -10.573 -58.941 51.181 1.00 75.11 H new ATOM 0 HE1 TYR A 89 -6.656 -58.408 54.109 1.00 30.34 H new ATOM 0 HE2 TYR A 89 -9.972 -60.724 52.758 1.00 50.14 H new ATOM 0 HH TYR A 89 -8.581 -61.408 54.333 1.00 13.23 H new ATOM 1374 N THR A 90 -10.694 -55.827 53.662 1.00 63.13 N ATOM 1375 CA THR A 90 -10.477 -55.433 55.048 1.00 73.03 C ATOM 1376 C THR A 90 -10.034 -56.621 55.895 1.00 22.02 C ATOM 1377 O THR A 90 -9.705 -56.470 57.072 1.00 3.25 O ATOM 1378 CB THR A 90 -11.750 -54.824 55.664 1.00 65.23 C ATOM 1379 OG1 THR A 90 -12.762 -55.829 55.791 1.00 50.24 O ATOM 1380 CG2 THR A 90 -12.270 -53.678 54.809 1.00 14.03 C ATOM 0 H THR A 90 -11.276 -56.657 53.546 1.00 63.13 H new ATOM 0 HA THR A 90 -9.689 -54.680 55.043 1.00 73.03 H new ATOM 0 HB THR A 90 -11.499 -54.435 56.651 1.00 65.23 H new ATOM 0 HG1 THR A 90 -13.568 -55.434 56.185 1.00 50.24 H new ATOM 0 HG21 THR A 90 -13.170 -53.264 55.264 1.00 14.03 H new ATOM 0 HG22 THR A 90 -11.508 -52.902 54.739 1.00 14.03 H new ATOM 0 HG23 THR A 90 -12.505 -54.047 53.811 1.00 14.03 H new TER 1388 THR A 90