USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1168 hydrogens (33 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 115 GLN : amide:sc= -0.512 K(o=0.67,f=-2.8) USER MOD Set 1.2: A 117 TYR OH : rot -123:sc= 1.18 USER MOD Set 2.1: A 98 ASN : amide:sc= 1.18 K(o=-0.41,f=-2.9) USER MOD Set 2.2: A 100 ASN : amide:sc= -1.59! C(o=-0.41!,f=-5.6!) USER MOD Set 3.1: A 52 SER OG : rot -92:sc= 1.2 USER MOD Set 3.2: A 57 ASN : amide:sc= 0.971 K(o=2.2,f=-4.5!) USER MOD Set 4.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 48 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 0 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 4 SER OG : rot 99:sc= 0.209 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -4 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.19) USER MOD Single : A -5 HIS : no HD1:sc= -0.0437 X(o=-0.044,f=-0.23) USER MOD Single : A -6 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.41) USER MOD Single : A -7 HIS : no HD1:sc= -0.0452 X(o=-0.045,f=0) USER MOD Single : A -8 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-1.5) USER MOD Single : A -9 HIS : no HD1:sc= 0.00635 K(o=0.0064,f=-0.5) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= -1.3 F(o=-6.4!,f=-1.3) USER MOD Single : A 14 TYR OH : rot 114:sc= 1.28 USER MOD Single : A 16 LYS NZ :NH3+ -133:sc= 1.62 (180deg=-0.553) USER MOD Single : A 18 MET CE :methyl -145:sc= -0.302 (180deg=-2.96) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -178:sc= -0.342 (180deg=-0.343) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0555 F(o=-0.66,f=-0.055) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.198) USER MOD Single : A 33 HIS :FLIP no HE2:sc= 0.132 F(o=-0.52,f=0.13) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= 0.675 (180deg=0.554) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 45:sc= 0.253 USER MOD Single : A 42 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.62) USER MOD Single : A 45 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.27) USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.18) USER MOD Single : A 53 SER OG : rot -71:sc= 0.0631 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.91 K(o=-1.9,f=-5.6!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.754 X(o=-0.75,f=-0.37) USER MOD Single : A 76 THR OG1 : rot 97:sc= 0.482 USER MOD Single : A 81 THR OG1 : rot 120:sc= -2.53! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0.248) USER MOD Single : A 92 LYS NZ :NH3+ -122:sc= -0.19 (180deg=-0.238) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -25:sc= 0.536 USER MOD Single : A -10 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.65 K(o=-1.7,f=-3.2!) USER MOD Single : A 104 THR OG1 : rot -86:sc= 1.81 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.66 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -131:sc= 1.26 (180deg=-0.578) USER MOD Single : A 129 LYS NZ :NH3+ -158:sc= 1.12 (180deg=0.665) USER MOD Single : A 130 LYS NZ :NH3+ 177:sc= -0.497 (180deg=-0.577) USER MOD Single : A 201 OLA O2 : rot 176:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -10 -49.099 6.567 -14.191 1.00 41.55 N ATOM 2 CA ALA A -10 -48.244 5.593 -13.461 1.00 62.53 C ATOM 3 C ALA A -10 -46.787 6.058 -13.429 1.00 64.32 C ATOM 4 O ALA A -10 -46.191 6.326 -14.474 1.00 33.34 O ATOM 5 CB ALA A -10 -48.344 4.215 -14.103 1.00 3.13 C ATOM 0 H1 ALA A -10 -50.082 6.228 -14.198 1.00 41.55 H new ATOM 0 H2 ALA A -10 -49.055 7.491 -13.717 1.00 41.55 H new ATOM 0 H3 ALA A -10 -48.759 6.663 -15.169 1.00 41.55 H new ATOM 0 HA ALA A -10 -48.604 5.530 -12.434 1.00 62.53 H new ATOM 0 HB1 ALA A -10 -47.713 3.513 -13.558 1.00 3.13 H new ATOM 0 HB2 ALA A -10 -49.378 3.873 -14.071 1.00 3.13 H new ATOM 0 HB3 ALA A -10 -48.012 4.272 -15.140 1.00 3.13 H new ATOM 13 N HIS A -9 -46.221 6.153 -12.223 1.00 45.23 N ATOM 14 CA HIS A -9 -44.832 6.588 -12.055 1.00 2.01 C ATOM 15 C HIS A -9 -44.094 5.706 -11.043 1.00 13.41 C ATOM 16 O HIS A -9 -44.686 4.803 -10.449 1.00 33.13 O ATOM 17 CB HIS A -9 -44.785 8.053 -11.614 1.00 1.42 C ATOM 18 CG HIS A -9 -43.920 8.906 -12.487 1.00 0.42 C ATOM 19 ND1 HIS A -9 -42.554 8.995 -12.334 1.00 24.23 N ATOM 20 CD2 HIS A -9 -44.232 9.705 -13.535 1.00 41.32 C ATOM 21 CE1 HIS A -9 -42.061 9.811 -13.246 1.00 41.11 C ATOM 22 NE2 HIS A -9 -43.058 10.255 -13.989 1.00 52.35 N ATOM 0 H HIS A -9 -46.702 5.935 -11.350 1.00 45.23 H new ATOM 0 HA HIS A -9 -44.329 6.491 -13.017 1.00 2.01 H new ATOM 0 HB2 HIS A -9 -45.797 8.457 -11.611 1.00 1.42 H new ATOM 0 HB3 HIS A -9 -44.418 8.105 -10.589 1.00 1.42 H new ATOM 0 HD2 HIS A -9 -45.219 9.877 -13.938 1.00 41.32 H new ATOM 0 HE1 HIS A -9 -41.020 10.071 -13.365 1.00 41.11 H new ATOM 0 HE2 HIS A -9 -42.971 10.902 -14.773 1.00 52.35 H new ATOM 30 N HIS A -8 -42.795 5.968 -10.857 1.00 40.01 N ATOM 31 CA HIS A -8 -41.978 5.190 -9.922 1.00 51.32 C ATOM 32 C HIS A -8 -40.740 5.974 -9.463 1.00 0.25 C ATOM 33 O HIS A -8 -40.624 7.174 -9.718 1.00 72.14 O ATOM 34 CB HIS A -8 -41.564 3.860 -10.569 1.00 4.02 C ATOM 35 CG HIS A -8 -40.790 4.015 -11.844 1.00 40.21 C ATOM 36 ND1 HIS A -8 -41.264 4.715 -12.932 1.00 71.21 N ATOM 37 CD2 HIS A -8 -39.570 3.551 -12.203 1.00 25.15 C ATOM 38 CE1 HIS A -8 -40.372 4.676 -13.904 1.00 13.51 C ATOM 39 NE2 HIS A -8 -39.332 3.975 -13.488 1.00 4.00 N ATOM 0 H HIS A -8 -42.290 6.710 -11.340 1.00 40.01 H new ATOM 0 HA HIS A -8 -42.581 4.986 -9.037 1.00 51.32 H new ATOM 0 HB2 HIS A -8 -40.963 3.294 -9.858 1.00 4.02 H new ATOM 0 HB3 HIS A -8 -42.459 3.271 -10.769 1.00 4.02 H new ATOM 0 HD2 HIS A -8 -38.906 2.957 -11.592 1.00 25.15 H new ATOM 0 HE1 HIS A -8 -40.475 5.138 -14.875 1.00 13.51 H new ATOM 0 HE2 HIS A -8 -38.491 3.781 -14.031 1.00 4.00 H new ATOM 47 N HIS A -7 -39.823 5.283 -8.771 1.00 0.41 N ATOM 48 CA HIS A -7 -38.593 5.901 -8.259 1.00 40.03 C ATOM 49 C HIS A -7 -37.364 5.022 -8.548 1.00 23.34 C ATOM 50 O HIS A -7 -37.460 4.031 -9.277 1.00 75.22 O ATOM 51 CB HIS A -7 -38.725 6.144 -6.750 1.00 41.13 C ATOM 52 CG HIS A -7 -38.947 4.891 -5.956 1.00 34.40 C ATOM 53 ND1 HIS A -7 -37.973 4.314 -5.172 1.00 44.42 N ATOM 54 CD2 HIS A -7 -40.039 4.098 -5.837 1.00 34.13 C ATOM 55 CE1 HIS A -7 -38.452 3.221 -4.605 1.00 32.30 C ATOM 56 NE2 HIS A -7 -39.705 3.069 -4.992 1.00 25.31 N ATOM 0 H HIS A -7 -39.912 4.291 -8.552 1.00 0.41 H new ATOM 0 HA HIS A -7 -38.451 6.853 -8.770 1.00 40.03 H new ATOM 0 HB2 HIS A -7 -37.822 6.637 -6.390 1.00 41.13 H new ATOM 0 HB3 HIS A -7 -39.554 6.828 -6.572 1.00 41.13 H new ATOM 0 HD2 HIS A -7 -40.995 4.248 -6.318 1.00 34.13 H new ATOM 0 HE1 HIS A -7 -37.911 2.565 -3.939 1.00 32.30 H new ATOM 0 HE2 HIS A -7 -40.325 2.310 -4.709 1.00 25.31 H new ATOM 64 N HIS A -6 -36.208 5.395 -7.975 1.00 12.01 N ATOM 65 CA HIS A -6 -34.960 4.645 -8.173 1.00 45.03 C ATOM 66 C HIS A -6 -33.959 4.907 -7.036 1.00 51.21 C ATOM 67 O HIS A -6 -34.112 5.864 -6.273 1.00 55.12 O ATOM 68 CB HIS A -6 -34.333 5.019 -9.521 1.00 74.24 C ATOM 69 CG HIS A -6 -33.233 4.097 -9.953 1.00 31.35 C ATOM 70 ND1 HIS A -6 -33.428 2.756 -10.203 1.00 4.01 N ATOM 71 CD2 HIS A -6 -31.917 4.329 -10.174 1.00 21.22 C ATOM 72 CE1 HIS A -6 -32.284 2.201 -10.557 1.00 11.51 C ATOM 73 NE2 HIS A -6 -31.350 3.135 -10.549 1.00 13.40 N ATOM 0 H HIS A -6 -36.113 6.212 -7.371 1.00 12.01 H new ATOM 0 HA HIS A -6 -35.202 3.582 -8.167 1.00 45.03 H new ATOM 0 HB2 HIS A -6 -35.111 5.024 -10.284 1.00 74.24 H new ATOM 0 HB3 HIS A -6 -33.941 6.034 -9.460 1.00 74.24 H new ATOM 0 HD2 HIS A -6 -31.408 5.276 -10.074 1.00 21.22 H new ATOM 0 HE1 HIS A -6 -32.137 1.161 -10.810 1.00 11.51 H new ATOM 0 HE2 HIS A -6 -30.367 2.993 -10.783 1.00 13.40 H new ATOM 81 N HIS A -5 -32.934 4.044 -6.932 1.00 52.33 N ATOM 82 CA HIS A -5 -31.901 4.171 -5.893 1.00 44.14 C ATOM 83 C HIS A -5 -30.742 3.193 -6.144 1.00 21.10 C ATOM 84 O HIS A -5 -30.920 2.175 -6.818 1.00 13.21 O ATOM 85 CB HIS A -5 -32.512 3.909 -4.512 1.00 0.53 C ATOM 86 CG HIS A -5 -31.677 4.411 -3.375 1.00 51.34 C ATOM 87 ND1 HIS A -5 -31.042 5.633 -3.387 1.00 31.44 N ATOM 88 CD2 HIS A -5 -31.378 3.847 -2.181 1.00 3.01 C ATOM 89 CE1 HIS A -5 -30.389 5.802 -2.252 1.00 33.22 C ATOM 90 NE2 HIS A -5 -30.577 4.732 -1.502 1.00 63.34 N ATOM 0 H HIS A -5 -32.800 3.249 -7.557 1.00 52.33 H new ATOM 0 HA HIS A -5 -31.507 5.187 -5.929 1.00 44.14 H new ATOM 0 HB2 HIS A -5 -33.494 4.380 -4.465 1.00 0.53 H new ATOM 0 HB3 HIS A -5 -32.666 2.837 -4.391 1.00 0.53 H new ATOM 0 HD2 HIS A -5 -31.708 2.881 -1.828 1.00 3.01 H new ATOM 0 HE1 HIS A -5 -29.802 6.667 -1.983 1.00 33.22 H new ATOM 0 HE2 HIS A -5 -30.190 4.586 -0.570 1.00 63.34 H new ATOM 98 N HIS A -4 -29.556 3.503 -5.595 1.00 60.22 N ATOM 99 CA HIS A -4 -28.377 2.640 -5.763 1.00 43.42 C ATOM 100 C HIS A -4 -27.500 2.603 -4.500 1.00 73.41 C ATOM 101 O HIS A -4 -27.933 3.009 -3.419 1.00 45.34 O ATOM 102 CB HIS A -4 -27.549 3.086 -6.974 1.00 61.51 C ATOM 103 CG HIS A -4 -26.705 4.302 -6.734 1.00 42.01 C ATOM 104 ND1 HIS A -4 -27.213 5.496 -6.268 1.00 32.30 N ATOM 105 CD2 HIS A -4 -25.376 4.503 -6.902 1.00 44.41 C ATOM 106 CE1 HIS A -4 -26.236 6.378 -6.161 1.00 62.32 C ATOM 107 NE2 HIS A -4 -25.110 5.800 -6.539 1.00 43.04 N ATOM 0 H HIS A -4 -29.389 4.339 -5.035 1.00 60.22 H new ATOM 0 HA HIS A -4 -28.743 1.628 -5.936 1.00 43.42 H new ATOM 0 HB2 HIS A -4 -26.902 2.264 -7.279 1.00 61.51 H new ATOM 0 HB3 HIS A -4 -28.224 3.286 -7.806 1.00 61.51 H new ATOM 0 HD2 HIS A -4 -24.659 3.777 -7.256 1.00 44.41 H new ATOM 0 HE1 HIS A -4 -26.340 7.398 -5.822 1.00 62.32 H new ATOM 0 HE2 HIS A -4 -24.192 6.245 -6.558 1.00 43.04 H new ATOM 115 N VAL A -3 -26.265 2.091 -4.646 1.00 42.54 N ATOM 116 CA VAL A -3 -25.325 1.973 -3.526 1.00 0.43 C ATOM 117 C VAL A -3 -23.869 1.847 -4.022 1.00 41.01 C ATOM 118 O VAL A -3 -23.623 1.856 -5.230 1.00 53.33 O ATOM 119 CB VAL A -3 -25.700 0.753 -2.651 1.00 20.50 C ATOM 120 CG1 VAL A -3 -25.033 -0.521 -3.156 1.00 1.30 C ATOM 121 CG2 VAL A -3 -25.360 1.005 -1.188 1.00 12.22 C ATOM 0 H VAL A -3 -25.897 1.752 -5.535 1.00 42.54 H new ATOM 0 HA VAL A -3 -25.394 2.882 -2.928 1.00 0.43 H new ATOM 0 HB VAL A -3 -26.778 0.612 -2.727 1.00 20.50 H new ATOM 0 HG11 VAL A -3 -25.318 -1.358 -2.519 1.00 1.30 H new ATOM 0 HG12 VAL A -3 -25.353 -0.718 -4.179 1.00 1.30 H new ATOM 0 HG13 VAL A -3 -23.950 -0.399 -3.132 1.00 1.30 H new ATOM 0 HG21 VAL A -3 -25.634 0.132 -0.595 1.00 12.22 H new ATOM 0 HG22 VAL A -3 -24.290 1.190 -1.090 1.00 12.22 H new ATOM 0 HG23 VAL A -3 -25.912 1.874 -0.831 1.00 12.22 H new ATOM 131 N GLY A -2 -22.911 1.731 -3.086 1.00 51.43 N ATOM 132 CA GLY A -2 -21.505 1.603 -3.451 1.00 1.55 C ATOM 133 C GLY A -2 -20.814 0.449 -2.734 1.00 54.31 C ATOM 134 O GLY A -2 -21.430 -0.595 -2.521 1.00 13.10 O ATOM 0 H GLY A -2 -23.090 1.724 -2.082 1.00 51.43 H new ATOM 0 HA2 GLY A -2 -21.425 1.456 -4.528 1.00 1.55 H new ATOM 0 HA3 GLY A -2 -20.987 2.533 -3.217 1.00 1.55 H new ATOM 138 N THR A -1 -19.535 0.660 -2.361 1.00 4.01 N ATOM 139 CA THR A -1 -18.700 -0.330 -1.653 1.00 63.24 C ATOM 140 C THR A -1 -17.246 -0.258 -2.145 1.00 75.34 C ATOM 141 O THR A -1 -16.947 -0.627 -3.282 1.00 13.20 O ATOM 142 CB THR A -1 -19.222 -1.774 -1.804 1.00 5.43 C ATOM 143 OG1 THR A -1 -18.479 -2.662 -0.985 1.00 71.24 O ATOM 144 CG2 THR A -1 -19.162 -2.303 -3.223 1.00 73.13 C ATOM 0 H THR A -1 -19.047 1.536 -2.546 1.00 4.01 H new ATOM 0 HA THR A -1 -18.750 -0.073 -0.595 1.00 63.24 H new ATOM 0 HB THR A -1 -20.268 -1.728 -1.501 1.00 5.43 H new ATOM 0 HG1 THR A -1 -18.825 -3.573 -1.092 1.00 71.24 H new ATOM 0 HG21 THR A -1 -19.546 -3.323 -3.248 1.00 73.13 H new ATOM 0 HG22 THR A -1 -19.768 -1.671 -3.873 1.00 73.13 H new ATOM 0 HG23 THR A -1 -18.129 -2.296 -3.571 1.00 73.13 H new ATOM 152 N GLN A 0 -16.353 0.225 -1.278 1.00 60.44 N ATOM 153 CA GLN A 0 -14.921 0.347 -1.614 1.00 61.24 C ATOM 154 C GLN A 0 -14.325 -1.009 -2.002 1.00 12.20 C ATOM 155 O GLN A 0 -14.926 -2.057 -1.755 1.00 22.10 O ATOM 156 CB GLN A 0 -14.121 0.934 -0.443 1.00 71.13 C ATOM 157 CG GLN A 0 -14.468 2.382 -0.122 1.00 5.53 C ATOM 158 CD GLN A 0 -14.461 2.660 1.367 1.00 15.54 C ATOM 159 OE1 GLN A 0 -15.512 2.747 2.001 1.00 60.43 O ATOM 160 NE2 GLN A 0 -13.268 2.798 1.931 1.00 54.33 N ATOM 0 H GLN A 0 -16.590 0.539 -0.337 1.00 60.44 H new ATOM 0 HA GLN A 0 -14.852 1.024 -2.466 1.00 61.24 H new ATOM 0 HB2 GLN A 0 -14.294 0.324 0.444 1.00 71.13 H new ATOM 0 HB3 GLN A 0 -13.058 0.868 -0.673 1.00 71.13 H new ATOM 0 HG2 GLN A 0 -13.755 3.042 -0.616 1.00 5.53 H new ATOM 0 HG3 GLN A 0 -15.452 2.616 -0.528 1.00 5.53 H new ATOM 0 HE21 GLN A 0 -12.424 2.718 1.364 1.00 54.33 H new ATOM 0 HE22 GLN A 0 -13.195 2.985 2.931 1.00 54.33 H new ATOM 169 N ALA A 1 -13.139 -0.978 -2.618 1.00 1.21 N ATOM 170 CA ALA A 1 -12.460 -2.202 -3.049 1.00 51.03 C ATOM 171 C ALA A 1 -11.204 -2.490 -2.227 1.00 53.42 C ATOM 172 O ALA A 1 -11.014 -3.607 -1.746 1.00 62.43 O ATOM 173 CB ALA A 1 -12.100 -2.112 -4.528 1.00 43.55 C ATOM 0 H ALA A 1 -12.631 -0.119 -2.829 1.00 1.21 H new ATOM 0 HA ALA A 1 -13.154 -3.027 -2.888 1.00 51.03 H new ATOM 0 HB1 ALA A 1 -11.596 -3.028 -4.836 1.00 43.55 H new ATOM 0 HB2 ALA A 1 -13.008 -1.982 -5.116 1.00 43.55 H new ATOM 0 HB3 ALA A 1 -11.438 -1.261 -4.690 1.00 43.55 H new ATOM 179 N PHE A 2 -10.339 -1.484 -2.098 1.00 12.32 N ATOM 180 CA PHE A 2 -9.080 -1.632 -1.363 1.00 61.12 C ATOM 181 C PHE A 2 -9.290 -1.993 0.110 1.00 42.03 C ATOM 182 O PHE A 2 -8.464 -2.695 0.690 1.00 2.02 O ATOM 183 CB PHE A 2 -8.250 -0.348 -1.467 1.00 20.43 C ATOM 184 CG PHE A 2 -7.750 -0.071 -2.857 1.00 25.30 C ATOM 185 CD1 PHE A 2 -6.605 -0.689 -3.329 1.00 43.11 C ATOM 186 CD2 PHE A 2 -8.428 0.804 -3.692 1.00 54.23 C ATOM 187 CE1 PHE A 2 -6.144 -0.441 -4.607 1.00 23.22 C ATOM 188 CE2 PHE A 2 -7.971 1.055 -4.971 1.00 4.22 C ATOM 189 CZ PHE A 2 -6.827 0.432 -5.429 1.00 35.41 C ATOM 0 H PHE A 2 -10.486 -0.555 -2.493 1.00 12.32 H new ATOM 0 HA PHE A 2 -8.544 -2.461 -1.826 1.00 61.12 H new ATOM 0 HB2 PHE A 2 -8.855 0.495 -1.132 1.00 20.43 H new ATOM 0 HB3 PHE A 2 -7.399 -0.419 -0.790 1.00 20.43 H new ATOM 0 HD1 PHE A 2 -6.066 -1.373 -2.690 1.00 43.11 H new ATOM 0 HD2 PHE A 2 -9.323 1.294 -3.339 1.00 54.23 H new ATOM 0 HE1 PHE A 2 -5.249 -0.930 -4.963 1.00 23.22 H new ATOM 0 HE2 PHE A 2 -8.508 1.738 -5.612 1.00 4.22 H new ATOM 0 HZ PHE A 2 -6.468 0.628 -6.428 1.00 35.41 H new ATOM 199 N ASP A 3 -10.381 -1.506 0.712 1.00 52.44 N ATOM 200 CA ASP A 3 -10.674 -1.776 2.128 1.00 71.12 C ATOM 201 C ASP A 3 -10.965 -3.262 2.370 1.00 12.10 C ATOM 202 O ASP A 3 -12.117 -3.656 2.560 1.00 13.51 O ATOM 203 CB ASP A 3 -11.862 -0.929 2.591 1.00 72.23 C ATOM 204 CG ASP A 3 -11.458 0.466 3.040 1.00 2.24 C ATOM 205 OD1 ASP A 3 -10.499 1.031 2.469 1.00 42.25 O ATOM 206 OD2 ASP A 3 -12.103 0.998 3.968 1.00 51.42 O ATOM 0 H ASP A 3 -11.075 -0.924 0.244 1.00 52.44 H new ATOM 0 HA ASP A 3 -9.790 -1.508 2.707 1.00 71.12 H new ATOM 0 HB2 ASP A 3 -12.583 -0.848 1.777 1.00 72.23 H new ATOM 0 HB3 ASP A 3 -12.365 -1.438 3.413 1.00 72.23 H new ATOM 211 N SER A 4 -9.912 -4.081 2.355 1.00 65.31 N ATOM 212 CA SER A 4 -10.052 -5.524 2.566 1.00 13.01 C ATOM 213 C SER A 4 -8.838 -6.113 3.297 1.00 4.51 C ATOM 214 O SER A 4 -7.945 -5.382 3.730 1.00 13.23 O ATOM 215 CB SER A 4 -10.258 -6.233 1.221 1.00 23.22 C ATOM 216 OG SER A 4 -11.360 -5.685 0.513 1.00 34.23 O ATOM 0 H SER A 4 -8.953 -3.770 2.199 1.00 65.31 H new ATOM 0 HA SER A 4 -10.925 -5.685 3.198 1.00 13.01 H new ATOM 0 HB2 SER A 4 -9.354 -6.143 0.618 1.00 23.22 H new ATOM 0 HB3 SER A 4 -10.424 -7.297 1.390 1.00 23.22 H new ATOM 0 HG SER A 4 -11.034 -5.048 -0.157 1.00 34.23 H new ATOM 222 N THR A 5 -8.807 -7.445 3.408 1.00 11.40 N ATOM 223 CA THR A 5 -7.704 -8.149 4.059 1.00 54.54 C ATOM 224 C THR A 5 -6.941 -8.991 3.035 1.00 53.03 C ATOM 225 O THR A 5 -7.465 -9.986 2.530 1.00 21.32 O ATOM 226 CB THR A 5 -8.236 -9.048 5.185 1.00 4.00 C ATOM 227 OG1 THR A 5 -8.668 -8.269 6.289 1.00 55.32 O ATOM 228 CG2 THR A 5 -7.220 -10.051 5.697 1.00 64.44 C ATOM 0 H THR A 5 -9.540 -8.058 3.052 1.00 11.40 H new ATOM 0 HA THR A 5 -7.026 -7.412 4.489 1.00 54.54 H new ATOM 0 HB THR A 5 -9.064 -9.599 4.740 1.00 4.00 H new ATOM 0 HG1 THR A 5 -9.005 -8.860 6.995 1.00 55.32 H new ATOM 0 HG21 THR A 5 -7.668 -10.650 6.490 1.00 64.44 H new ATOM 0 HG22 THR A 5 -6.910 -10.703 4.881 1.00 64.44 H new ATOM 0 HG23 THR A 5 -6.351 -9.521 6.088 1.00 64.44 H new ATOM 236 N TRP A 6 -5.706 -8.588 2.729 1.00 12.00 N ATOM 237 CA TRP A 6 -4.883 -9.313 1.764 1.00 43.53 C ATOM 238 C TRP A 6 -3.565 -9.763 2.390 1.00 40.31 C ATOM 239 O TRP A 6 -2.857 -8.969 3.009 1.00 40.14 O ATOM 240 CB TRP A 6 -4.598 -8.464 0.512 1.00 43.22 C ATOM 241 CG TRP A 6 -5.572 -7.354 0.254 1.00 0.41 C ATOM 242 CD1 TRP A 6 -5.855 -6.268 1.035 1.00 72.24 C ATOM 243 CD2 TRP A 6 -6.374 -7.232 -0.903 1.00 1.31 C ATOM 244 NE1 TRP A 6 -6.809 -5.488 0.419 1.00 3.32 N ATOM 245 CE2 TRP A 6 -7.141 -6.065 -0.779 1.00 51.03 C ATOM 246 CE3 TRP A 6 -6.507 -8.017 -2.031 1.00 31.30 C ATOM 247 CZ2 TRP A 6 -8.043 -5.666 -1.761 1.00 20.11 C ATOM 248 CZ3 TRP A 6 -7.397 -7.632 -3.010 1.00 20.32 C ATOM 249 CH2 TRP A 6 -8.159 -6.461 -2.871 1.00 71.32 C ATOM 0 H TRP A 6 -5.257 -7.767 3.135 1.00 12.00 H new ATOM 0 HA TRP A 6 -5.450 -10.194 1.463 1.00 43.53 H new ATOM 0 HB2 TRP A 6 -3.600 -8.035 0.604 1.00 43.22 H new ATOM 0 HB3 TRP A 6 -4.584 -9.122 -0.357 1.00 43.22 H new ATOM 0 HD1 TRP A 6 -5.399 -6.054 1.991 1.00 72.24 H new ATOM 0 HE1 TRP A 6 -7.203 -4.624 0.793 1.00 3.32 H new ATOM 0 HE3 TRP A 6 -5.923 -8.918 -2.144 1.00 31.30 H new ATOM 0 HZ2 TRP A 6 -8.629 -4.765 -1.652 1.00 20.11 H new ATOM 0 HZ3 TRP A 6 -7.510 -8.239 -3.896 1.00 20.32 H new ATOM 0 HH2 TRP A 6 -8.849 -6.182 -3.653 1.00 71.32 H new ATOM 260 N LYS A 7 -3.244 -11.043 2.211 1.00 60.22 N ATOM 261 CA LYS A 7 -2.012 -11.626 2.738 1.00 24.32 C ATOM 262 C LYS A 7 -1.020 -11.868 1.604 1.00 55.24 C ATOM 263 O LYS A 7 -1.428 -12.138 0.471 1.00 63.54 O ATOM 264 CB LYS A 7 -2.336 -12.940 3.472 1.00 64.51 C ATOM 265 CG LYS A 7 -1.652 -14.177 2.897 1.00 73.52 C ATOM 266 CD LYS A 7 -1.474 -15.259 3.950 1.00 63.34 C ATOM 267 CE LYS A 7 -0.612 -16.403 3.435 1.00 44.11 C ATOM 268 NZ LYS A 7 -1.239 -17.733 3.684 1.00 63.22 N ATOM 0 H LYS A 7 -3.829 -11.703 1.698 1.00 60.22 H new ATOM 0 HA LYS A 7 -1.556 -10.934 3.446 1.00 24.32 H new ATOM 0 HB2 LYS A 7 -2.049 -12.836 4.518 1.00 64.51 H new ATOM 0 HB3 LYS A 7 -3.415 -13.095 3.451 1.00 64.51 H new ATOM 0 HG2 LYS A 7 -2.243 -14.568 2.069 1.00 73.52 H new ATOM 0 HG3 LYS A 7 -0.679 -13.900 2.491 1.00 73.52 H new ATOM 0 HD2 LYS A 7 -1.016 -14.829 4.841 1.00 63.34 H new ATOM 0 HD3 LYS A 7 -2.450 -15.643 4.247 1.00 63.34 H new ATOM 0 HE2 LYS A 7 -0.443 -16.277 2.366 1.00 44.11 H new ATOM 0 HE3 LYS A 7 0.364 -16.367 3.918 1.00 44.11 H new ATOM 0 HZ1 LYS A 7 -0.619 -18.483 3.318 1.00 63.22 H new ATOM 0 HZ2 LYS A 7 -1.377 -17.866 4.706 1.00 63.22 H new ATOM 0 HZ3 LYS A 7 -2.159 -17.779 3.202 1.00 63.22 H new ATOM 282 N VAL A 8 0.280 -11.778 1.906 1.00 72.24 N ATOM 283 CA VAL A 8 1.300 -12.000 0.888 1.00 61.43 C ATOM 284 C VAL A 8 1.060 -13.327 0.192 1.00 22.33 C ATOM 285 O VAL A 8 1.151 -14.394 0.806 1.00 12.22 O ATOM 286 CB VAL A 8 2.739 -11.984 1.456 1.00 12.31 C ATOM 287 CG1 VAL A 8 3.687 -12.792 0.574 1.00 15.10 C ATOM 288 CG2 VAL A 8 3.256 -10.574 1.560 1.00 1.21 C ATOM 0 H VAL A 8 0.642 -11.556 2.833 1.00 72.24 H new ATOM 0 HA VAL A 8 1.216 -11.173 0.183 1.00 61.43 H new ATOM 0 HB VAL A 8 2.700 -12.434 2.448 1.00 12.31 H new ATOM 0 HG11 VAL A 8 4.691 -12.763 0.997 1.00 15.10 H new ATOM 0 HG12 VAL A 8 3.344 -13.825 0.523 1.00 15.10 H new ATOM 0 HG13 VAL A 8 3.704 -12.365 -0.429 1.00 15.10 H new ATOM 0 HG21 VAL A 8 4.269 -10.587 1.962 1.00 1.21 H new ATOM 0 HG22 VAL A 8 3.263 -10.115 0.571 1.00 1.21 H new ATOM 0 HG23 VAL A 8 2.610 -9.998 2.223 1.00 1.21 H new ATOM 298 N ASP A 9 0.756 -13.248 -1.087 1.00 13.03 N ATOM 299 CA ASP A 9 0.507 -14.431 -1.882 1.00 45.52 C ATOM 300 C ASP A 9 1.609 -14.636 -2.913 1.00 52.21 C ATOM 301 O ASP A 9 1.728 -15.721 -3.488 1.00 1.15 O ATOM 302 CB ASP A 9 -0.850 -14.320 -2.559 1.00 72.11 C ATOM 303 CG ASP A 9 -1.717 -15.529 -2.286 1.00 25.33 C ATOM 304 OD1 ASP A 9 -2.088 -15.738 -1.112 1.00 3.20 O ATOM 305 OD2 ASP A 9 -2.014 -16.275 -3.240 1.00 43.25 O ATOM 0 H ASP A 9 0.675 -12.370 -1.600 1.00 13.03 H new ATOM 0 HA ASP A 9 0.503 -15.300 -1.224 1.00 45.52 H new ATOM 0 HB2 ASP A 9 -1.358 -13.422 -2.208 1.00 72.11 H new ATOM 0 HB3 ASP A 9 -0.711 -14.208 -3.634 1.00 72.11 H new ATOM 310 N ARG A 10 2.414 -13.591 -3.146 1.00 71.31 N ATOM 311 CA ARG A 10 3.503 -13.668 -4.108 1.00 41.02 C ATOM 312 C ARG A 10 4.285 -12.359 -4.188 1.00 34.12 C ATOM 313 O ARG A 10 3.897 -11.348 -3.598 1.00 0.20 O ATOM 314 CB ARG A 10 2.952 -14.028 -5.492 1.00 41.02 C ATOM 315 CG ARG A 10 1.690 -13.254 -5.860 1.00 34.10 C ATOM 316 CD ARG A 10 0.493 -14.176 -6.042 1.00 23.53 C ATOM 317 NE ARG A 10 0.754 -15.234 -7.019 1.00 62.43 N ATOM 318 CZ ARG A 10 0.538 -16.536 -6.801 1.00 74.41 C ATOM 319 NH1 ARG A 10 0.042 -16.965 -5.640 1.00 40.23 N ATOM 320 NH2 ARG A 10 0.823 -17.420 -7.751 1.00 71.31 N ATOM 0 H ARG A 10 2.326 -12.688 -2.679 1.00 71.31 H new ATOM 0 HA ARG A 10 4.188 -14.445 -3.769 1.00 41.02 H new ATOM 0 HB2 ARG A 10 3.719 -13.836 -6.242 1.00 41.02 H new ATOM 0 HB3 ARG A 10 2.737 -15.096 -5.523 1.00 41.02 H new ATOM 0 HG2 ARG A 10 1.471 -12.524 -5.080 1.00 34.10 H new ATOM 0 HG3 ARG A 10 1.862 -12.696 -6.780 1.00 34.10 H new ATOM 0 HD2 ARG A 10 0.233 -14.625 -5.083 1.00 23.53 H new ATOM 0 HD3 ARG A 10 -0.369 -13.591 -6.364 1.00 23.53 H new ATOM 0 HE ARG A 10 1.126 -14.960 -7.928 1.00 62.43 H new ATOM 0 HH11 ARG A 10 -0.179 -16.297 -4.902 1.00 40.23 H new ATOM 0 HH12 ARG A 10 -0.117 -17.961 -5.490 1.00 40.23 H new ATOM 0 HH21 ARG A 10 1.205 -17.105 -8.643 1.00 71.31 H new ATOM 0 HH22 ARG A 10 0.660 -18.414 -7.589 1.00 71.31 H new ATOM 334 N SER A 11 5.392 -12.393 -4.932 1.00 53.11 N ATOM 335 CA SER A 11 6.245 -11.225 -5.113 1.00 4.00 C ATOM 336 C SER A 11 6.991 -11.303 -6.447 1.00 54.52 C ATOM 337 O SER A 11 7.059 -12.367 -7.067 1.00 54.02 O ATOM 338 CB SER A 11 7.244 -11.113 -3.958 1.00 44.14 C ATOM 339 OG SER A 11 8.042 -12.281 -3.853 1.00 42.23 O ATOM 0 H SER A 11 5.718 -13.226 -5.421 1.00 53.11 H new ATOM 0 HA SER A 11 5.613 -10.337 -5.121 1.00 4.00 H new ATOM 0 HB2 SER A 11 7.885 -10.245 -4.111 1.00 44.14 H new ATOM 0 HB3 SER A 11 6.707 -10.952 -3.024 1.00 44.14 H new ATOM 0 HG SER A 11 8.672 -12.181 -3.109 1.00 42.23 H new ATOM 345 N GLU A 12 7.549 -10.174 -6.885 1.00 12.23 N ATOM 346 CA GLU A 12 8.283 -10.122 -8.145 1.00 60.12 C ATOM 347 C GLU A 12 9.490 -9.194 -8.045 1.00 60.42 C ATOM 348 O GLU A 12 9.350 -8.018 -7.701 1.00 61.43 O ATOM 349 CB GLU A 12 7.368 -9.645 -9.275 1.00 64.25 C ATOM 350 CG GLU A 12 6.448 -10.724 -9.822 1.00 53.14 C ATOM 351 CD GLU A 12 5.513 -10.196 -10.893 1.00 60.25 C ATOM 352 OE1 GLU A 12 5.939 -10.110 -12.063 1.00 0.03 O ATOM 353 OE2 GLU A 12 4.356 -9.864 -10.561 1.00 22.13 O ATOM 0 H GLU A 12 7.506 -9.286 -6.385 1.00 12.23 H new ATOM 0 HA GLU A 12 8.636 -11.130 -8.362 1.00 60.12 H new ATOM 0 HB2 GLU A 12 6.762 -8.815 -8.912 1.00 64.25 H new ATOM 0 HB3 GLU A 12 7.983 -9.259 -10.088 1.00 64.25 H new ATOM 0 HG2 GLU A 12 7.048 -11.535 -10.235 1.00 53.14 H new ATOM 0 HG3 GLU A 12 5.861 -11.145 -9.006 1.00 53.14 H new ATOM 360 N ASN A 13 10.670 -9.731 -8.363 1.00 31.20 N ATOM 361 CA ASN A 13 11.918 -8.959 -8.335 1.00 42.23 C ATOM 362 C ASN A 13 12.373 -8.613 -6.908 1.00 61.22 C ATOM 363 O ASN A 13 13.309 -7.836 -6.726 1.00 22.31 O ATOM 364 CB ASN A 13 11.749 -7.668 -9.146 1.00 75.24 C ATOM 365 CG ASN A 13 13.074 -7.059 -9.551 1.00 53.02 C ATOM 366 OD1 ASN A 13 13.631 -6.230 -8.679 1.00 53.23 O flip ATOM 367 ND2 ASN A 13 13.594 -7.332 -10.634 1.00 4.24 N flip ATOM 0 H ASN A 13 10.789 -10.704 -8.645 1.00 31.20 H new ATOM 0 HA ASN A 13 12.691 -9.588 -8.777 1.00 42.23 H new ATOM 0 HB2 ASN A 13 11.162 -7.879 -10.040 1.00 75.24 H new ATOM 0 HB3 ASN A 13 11.185 -6.944 -8.557 1.00 75.24 H new ATOM 0 HD21 ASN A 13 13.130 -7.976 -11.275 1.00 4.24 H new ATOM 0 HD22 ASN A 13 14.489 -6.914 -10.890 1.00 4.24 H new ATOM 374 N TYR A 14 11.725 -9.184 -5.896 1.00 43.02 N ATOM 375 CA TYR A 14 12.093 -8.906 -4.505 1.00 4.22 C ATOM 376 C TYR A 14 13.560 -9.207 -4.236 1.00 1.00 C ATOM 377 O TYR A 14 14.186 -8.573 -3.384 1.00 20.22 O ATOM 378 CB TYR A 14 11.244 -9.744 -3.549 1.00 75.13 C ATOM 379 CG TYR A 14 11.274 -9.262 -2.115 1.00 40.31 C ATOM 380 CD1 TYR A 14 10.441 -8.238 -1.686 1.00 44.41 C ATOM 381 CD2 TYR A 14 12.142 -9.833 -1.192 1.00 32.44 C ATOM 382 CE1 TYR A 14 10.473 -7.794 -0.377 1.00 63.31 C ATOM 383 CE2 TYR A 14 12.178 -9.396 0.117 1.00 42.42 C ATOM 384 CZ TYR A 14 11.343 -8.376 0.519 1.00 34.41 C ATOM 385 OH TYR A 14 11.380 -7.936 1.822 1.00 23.24 O ATOM 0 H TYR A 14 10.949 -9.837 -6.008 1.00 43.02 H new ATOM 0 HA TYR A 14 11.914 -7.844 -4.338 1.00 4.22 H new ATOM 0 HB2 TYR A 14 10.212 -9.743 -3.900 1.00 75.13 H new ATOM 0 HB3 TYR A 14 11.591 -10.777 -3.582 1.00 75.13 H new ATOM 0 HD1 TYR A 14 9.757 -7.781 -2.386 1.00 44.41 H new ATOM 0 HD2 TYR A 14 12.799 -10.631 -1.504 1.00 32.44 H new ATOM 0 HE1 TYR A 14 9.820 -6.995 -0.059 1.00 63.31 H new ATOM 0 HE2 TYR A 14 12.857 -9.851 0.823 1.00 42.42 H new ATOM 0 HH TYR A 14 11.057 -8.645 2.416 1.00 23.24 H new ATOM 395 N ASP A 15 14.085 -10.202 -4.939 1.00 23.35 N ATOM 396 CA ASP A 15 15.459 -10.630 -4.758 1.00 72.42 C ATOM 397 C ASP A 15 16.463 -9.474 -4.880 1.00 14.04 C ATOM 398 O ASP A 15 17.269 -9.264 -3.973 1.00 21.24 O ATOM 399 CB ASP A 15 15.803 -11.754 -5.744 1.00 2.15 C ATOM 400 CG ASP A 15 15.596 -11.359 -7.195 1.00 40.42 C ATOM 401 OD1 ASP A 15 14.430 -11.321 -7.644 1.00 0.44 O ATOM 402 OD2 ASP A 15 16.602 -11.090 -7.883 1.00 21.43 O ATOM 0 H ASP A 15 13.572 -10.730 -5.645 1.00 23.35 H new ATOM 0 HA ASP A 15 15.542 -11.009 -3.739 1.00 72.42 H new ATOM 0 HB2 ASP A 15 16.842 -12.050 -5.599 1.00 2.15 H new ATOM 0 HB3 ASP A 15 15.189 -12.626 -5.520 1.00 2.15 H new ATOM 407 N LYS A 16 16.418 -8.737 -5.996 1.00 23.40 N ATOM 408 CA LYS A 16 17.344 -7.619 -6.221 1.00 32.21 C ATOM 409 C LYS A 16 17.162 -6.497 -5.199 1.00 43.24 C ATOM 410 O LYS A 16 18.143 -5.905 -4.746 1.00 11.02 O ATOM 411 CB LYS A 16 17.173 -7.049 -7.631 1.00 74.53 C ATOM 412 CG LYS A 16 18.394 -6.278 -8.121 1.00 53.44 C ATOM 413 CD LYS A 16 19.471 -7.201 -8.681 1.00 13.01 C ATOM 414 CE LYS A 16 18.893 -8.265 -9.609 1.00 5.42 C ATOM 415 NZ LYS A 16 18.703 -9.573 -8.916 1.00 13.00 N ATOM 0 H LYS A 16 15.754 -8.893 -6.754 1.00 23.40 H new ATOM 0 HA LYS A 16 18.350 -8.022 -6.105 1.00 32.21 H new ATOM 0 HB2 LYS A 16 16.965 -7.865 -8.323 1.00 74.53 H new ATOM 0 HB3 LYS A 16 16.305 -6.390 -7.646 1.00 74.53 H new ATOM 0 HG2 LYS A 16 18.089 -5.569 -8.891 1.00 53.44 H new ATOM 0 HG3 LYS A 16 18.809 -5.696 -7.298 1.00 53.44 H new ATOM 0 HD2 LYS A 16 20.208 -6.609 -9.224 1.00 13.01 H new ATOM 0 HD3 LYS A 16 19.996 -7.686 -7.858 1.00 13.01 H new ATOM 0 HE2 LYS A 16 17.936 -7.921 -10.002 1.00 5.42 H new ATOM 0 HE3 LYS A 16 19.558 -8.401 -10.462 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 19.083 -10.338 -9.509 1.00 13.00 H new ATOM 0 HZ2 LYS A 16 19.204 -9.559 -8.005 1.00 13.00 H new ATOM 0 HZ3 LYS A 16 17.689 -9.734 -8.751 1.00 13.00 H new ATOM 429 N PHE A 17 15.909 -6.198 -4.854 1.00 21.32 N ATOM 430 CA PHE A 17 15.604 -5.130 -3.898 1.00 53.14 C ATOM 431 C PHE A 17 16.438 -5.259 -2.617 1.00 54.05 C ATOM 432 O PHE A 17 16.906 -4.255 -2.079 1.00 22.43 O ATOM 433 CB PHE A 17 14.106 -5.132 -3.569 1.00 53.54 C ATOM 434 CG PHE A 17 13.709 -4.179 -2.472 1.00 63.54 C ATOM 435 CD1 PHE A 17 13.516 -2.825 -2.727 1.00 14.05 C ATOM 436 CD2 PHE A 17 13.518 -4.645 -1.181 1.00 2.03 C ATOM 437 CE1 PHE A 17 13.144 -1.964 -1.714 1.00 5.21 C ATOM 438 CE2 PHE A 17 13.145 -3.787 -0.168 1.00 31.31 C ATOM 439 CZ PHE A 17 12.958 -2.446 -0.433 1.00 2.31 C ATOM 0 H PHE A 17 15.088 -6.680 -5.222 1.00 21.32 H new ATOM 0 HA PHE A 17 15.867 -4.179 -4.362 1.00 53.14 H new ATOM 0 HB2 PHE A 17 13.548 -4.881 -4.471 1.00 53.54 H new ATOM 0 HB3 PHE A 17 13.811 -6.141 -3.282 1.00 53.54 H new ATOM 0 HD1 PHE A 17 13.659 -2.444 -3.727 1.00 14.05 H new ATOM 0 HD2 PHE A 17 13.663 -5.693 -0.966 1.00 2.03 H new ATOM 0 HE1 PHE A 17 12.999 -0.914 -1.923 1.00 5.21 H new ATOM 0 HE2 PHE A 17 12.999 -4.165 0.833 1.00 31.31 H new ATOM 0 HZ PHE A 17 12.666 -1.774 0.360 1.00 2.31 H new ATOM 449 N MET A 18 16.626 -6.491 -2.137 1.00 12.41 N ATOM 450 CA MET A 18 17.411 -6.731 -0.922 1.00 32.52 C ATOM 451 C MET A 18 18.906 -6.564 -1.190 1.00 1.44 C ATOM 452 O MET A 18 19.595 -5.839 -0.468 1.00 55.44 O ATOM 453 CB MET A 18 17.138 -8.134 -0.373 1.00 14.21 C ATOM 454 CG MET A 18 15.796 -8.267 0.330 1.00 20.12 C ATOM 455 SD MET A 18 15.425 -9.968 0.803 1.00 35.30 S ATOM 456 CE MET A 18 15.375 -10.768 -0.800 1.00 2.42 C ATOM 0 H MET A 18 16.248 -7.334 -2.568 1.00 12.41 H new ATOM 0 HA MET A 18 17.107 -5.992 -0.181 1.00 32.52 H new ATOM 0 HB2 MET A 18 17.180 -8.850 -1.194 1.00 14.21 H new ATOM 0 HB3 MET A 18 17.931 -8.402 0.325 1.00 14.21 H new ATOM 0 HG2 MET A 18 15.792 -7.638 1.220 1.00 20.12 H new ATOM 0 HG3 MET A 18 15.008 -7.896 -0.326 1.00 20.12 H new ATOM 0 HE1 MET A 18 14.616 -11.551 -0.793 1.00 2.42 H new ATOM 0 HE2 MET A 18 15.130 -10.032 -1.566 1.00 2.42 H new ATOM 0 HE3 MET A 18 16.348 -11.208 -1.017 1.00 2.42 H new ATOM 466 N GLU A 19 19.399 -7.243 -2.230 1.00 33.14 N ATOM 467 CA GLU A 19 20.819 -7.172 -2.598 1.00 12.13 C ATOM 468 C GLU A 19 21.262 -5.717 -2.774 1.00 73.11 C ATOM 469 O GLU A 19 22.383 -5.355 -2.410 1.00 14.15 O ATOM 470 CB GLU A 19 21.117 -7.955 -3.895 1.00 43.55 C ATOM 471 CG GLU A 19 20.033 -8.937 -4.311 1.00 64.34 C ATOM 472 CD GLU A 19 20.483 -9.892 -5.399 1.00 11.02 C ATOM 473 OE1 GLU A 19 21.163 -10.886 -5.072 1.00 3.41 O ATOM 474 OE2 GLU A 19 20.147 -9.650 -6.578 1.00 42.41 O ATOM 0 H GLU A 19 18.839 -7.847 -2.831 1.00 33.14 H new ATOM 0 HA GLU A 19 21.380 -7.629 -1.783 1.00 12.13 H new ATOM 0 HB2 GLU A 19 21.272 -7.243 -4.705 1.00 43.55 H new ATOM 0 HB3 GLU A 19 22.052 -8.501 -3.767 1.00 43.55 H new ATOM 0 HG2 GLU A 19 19.717 -9.511 -3.440 1.00 64.34 H new ATOM 0 HG3 GLU A 19 19.162 -8.382 -4.660 1.00 64.34 H new ATOM 481 N LYS A 20 20.370 -4.894 -3.337 1.00 34.31 N ATOM 482 CA LYS A 20 20.648 -3.474 -3.572 1.00 75.12 C ATOM 483 C LYS A 20 21.145 -2.779 -2.308 1.00 52.41 C ATOM 484 O LYS A 20 22.219 -2.175 -2.303 1.00 0.31 O ATOM 485 CB LYS A 20 19.385 -2.765 -4.068 1.00 1.30 C ATOM 486 CG LYS A 20 19.343 -2.576 -5.571 1.00 71.41 C ATOM 487 CD LYS A 20 20.259 -1.450 -6.018 1.00 42.03 C ATOM 488 CE LYS A 20 20.197 -1.258 -7.522 1.00 31.24 C ATOM 489 NZ LYS A 20 21.121 -2.182 -8.240 1.00 51.13 N ATOM 0 H LYS A 20 19.443 -5.191 -3.640 1.00 34.31 H new ATOM 0 HA LYS A 20 21.431 -3.417 -4.328 1.00 75.12 H new ATOM 0 HB2 LYS A 20 18.512 -3.339 -3.758 1.00 1.30 H new ATOM 0 HB3 LYS A 20 19.313 -1.790 -3.586 1.00 1.30 H new ATOM 0 HG2 LYS A 20 19.638 -3.503 -6.063 1.00 71.41 H new ATOM 0 HG3 LYS A 20 18.321 -2.360 -5.883 1.00 71.41 H new ATOM 0 HD2 LYS A 20 19.973 -0.525 -5.518 1.00 42.03 H new ATOM 0 HD3 LYS A 20 21.284 -1.670 -5.719 1.00 42.03 H new ATOM 0 HE2 LYS A 20 19.177 -1.425 -7.867 1.00 31.24 H new ATOM 0 HE3 LYS A 20 20.452 -0.227 -7.767 1.00 31.24 H new ATOM 0 HZ1 LYS A 20 21.048 -2.019 -9.265 1.00 51.13 H new ATOM 0 HZ2 LYS A 20 22.098 -2.006 -7.930 1.00 51.13 H new ATOM 0 HZ3 LYS A 20 20.862 -3.167 -8.027 1.00 51.13 H new ATOM 503 N MET A 21 20.345 -2.858 -1.246 1.00 1.05 N ATOM 504 CA MET A 21 20.683 -2.227 0.027 1.00 41.22 C ATOM 505 C MET A 21 21.923 -2.855 0.669 1.00 13.10 C ATOM 506 O MET A 21 22.625 -2.199 1.439 1.00 1.00 O ATOM 507 CB MET A 21 19.502 -2.325 0.991 1.00 53.53 C ATOM 508 CG MET A 21 18.270 -1.585 0.506 1.00 51.42 C ATOM 509 SD MET A 21 17.226 -1.013 1.855 1.00 13.44 S ATOM 510 CE MET A 21 15.613 -1.346 1.162 1.00 34.41 C ATOM 0 H MET A 21 19.454 -3.355 -1.243 1.00 1.05 H new ATOM 0 HA MET A 21 20.908 -1.181 -0.179 1.00 41.22 H new ATOM 0 HB2 MET A 21 19.251 -3.375 1.142 1.00 53.53 H new ATOM 0 HB3 MET A 21 19.799 -1.926 1.961 1.00 53.53 H new ATOM 0 HG2 MET A 21 18.578 -0.731 -0.096 1.00 51.42 H new ATOM 0 HG3 MET A 21 17.690 -2.240 -0.144 1.00 51.42 H new ATOM 0 HE1 MET A 21 14.842 -1.016 1.859 1.00 34.41 H new ATOM 0 HE2 MET A 21 15.504 -0.810 0.219 1.00 34.41 H new ATOM 0 HE3 MET A 21 15.507 -2.416 0.985 1.00 34.41 H new ATOM 520 N GLY A 22 22.172 -4.131 0.367 1.00 11.42 N ATOM 521 CA GLY A 22 23.315 -4.829 0.944 1.00 24.52 C ATOM 522 C GLY A 22 22.925 -5.628 2.177 1.00 42.12 C ATOM 523 O GLY A 22 23.707 -5.751 3.121 1.00 14.01 O ATOM 0 H GLY A 22 21.603 -4.693 -0.266 1.00 11.42 H new ATOM 0 HA2 GLY A 22 23.746 -5.498 0.199 1.00 24.52 H new ATOM 0 HA3 GLY A 22 24.087 -4.106 1.208 1.00 24.52 H new ATOM 527 N VAL A 23 21.697 -6.152 2.165 1.00 74.24 N ATOM 528 CA VAL A 23 21.161 -6.929 3.278 1.00 22.24 C ATOM 529 C VAL A 23 21.887 -8.266 3.439 1.00 4.44 C ATOM 530 O VAL A 23 22.183 -8.949 2.458 1.00 54.54 O ATOM 531 CB VAL A 23 19.649 -7.182 3.081 1.00 62.42 C ATOM 532 CG1 VAL A 23 19.069 -7.971 4.243 1.00 63.14 C ATOM 533 CG2 VAL A 23 18.905 -5.865 2.905 1.00 52.34 C ATOM 0 H VAL A 23 21.050 -6.048 1.384 1.00 74.24 H new ATOM 0 HA VAL A 23 21.319 -6.345 4.185 1.00 22.24 H new ATOM 0 HB VAL A 23 19.523 -7.776 2.176 1.00 62.42 H new ATOM 0 HG11 VAL A 23 18.004 -8.134 4.077 1.00 63.14 H new ATOM 0 HG12 VAL A 23 19.576 -8.933 4.318 1.00 63.14 H new ATOM 0 HG13 VAL A 23 19.211 -7.413 5.168 1.00 63.14 H new ATOM 0 HG21 VAL A 23 17.842 -6.063 2.768 1.00 52.34 H new ATOM 0 HG22 VAL A 23 19.047 -5.246 3.791 1.00 52.34 H new ATOM 0 HG23 VAL A 23 19.293 -5.342 2.031 1.00 52.34 H new ATOM 543 N ASN A 24 22.163 -8.634 4.690 1.00 11.41 N ATOM 544 CA ASN A 24 22.844 -9.880 5.002 1.00 23.14 C ATOM 545 C ASN A 24 22.000 -11.085 4.589 1.00 0.10 C ATOM 546 O ASN A 24 20.772 -11.011 4.551 1.00 72.22 O ATOM 547 CB ASN A 24 23.137 -9.928 6.498 1.00 54.24 C ATOM 548 CG ASN A 24 23.987 -11.109 6.886 1.00 14.23 C ATOM 549 OD1 ASN A 24 23.444 -11.956 7.739 1.00 55.42 O flip ATOM 550 ND2 ASN A 24 25.119 -11.257 6.427 1.00 33.20 N flip ATOM 0 H ASN A 24 21.920 -8.076 5.509 1.00 11.41 H new ATOM 0 HA ASN A 24 23.779 -9.922 4.443 1.00 23.14 H new ATOM 0 HB2 ASN A 24 23.642 -9.009 6.795 1.00 54.24 H new ATOM 0 HB3 ASN A 24 22.196 -9.966 7.047 1.00 54.24 H new ATOM 0 HD21 ASN A 24 25.496 -10.574 5.770 1.00 33.20 H new ATOM 0 HD22 ASN A 24 25.680 -12.062 6.704 1.00 33.20 H new ATOM 557 N ILE A 25 22.671 -12.194 4.283 1.00 54.42 N ATOM 558 CA ILE A 25 21.993 -13.422 3.869 1.00 72.22 C ATOM 559 C ILE A 25 20.896 -13.823 4.859 1.00 12.24 C ATOM 560 O ILE A 25 19.800 -14.211 4.453 1.00 42.11 O ATOM 561 CB ILE A 25 22.994 -14.590 3.706 1.00 13.12 C ATOM 562 CG1 ILE A 25 22.274 -15.847 3.208 1.00 61.22 C ATOM 563 CG2 ILE A 25 23.726 -14.868 5.014 1.00 44.35 C ATOM 564 CD1 ILE A 25 23.203 -17.007 2.920 1.00 52.24 C ATOM 0 H ILE A 25 23.688 -12.268 4.314 1.00 54.42 H new ATOM 0 HA ILE A 25 21.531 -13.214 2.904 1.00 72.22 H new ATOM 0 HB ILE A 25 23.736 -14.301 2.962 1.00 13.12 H new ATOM 0 HG12 ILE A 25 21.542 -16.156 3.955 1.00 61.22 H new ATOM 0 HG13 ILE A 25 21.720 -15.603 2.301 1.00 61.22 H new ATOM 0 HG21 ILE A 25 24.424 -15.693 4.872 1.00 44.35 H new ATOM 0 HG22 ILE A 25 24.275 -13.977 5.320 1.00 44.35 H new ATOM 0 HG23 ILE A 25 23.004 -15.132 5.786 1.00 44.35 H new ATOM 0 HD11 ILE A 25 22.622 -17.861 2.572 1.00 52.24 H new ATOM 0 HD12 ILE A 25 23.919 -16.717 2.151 1.00 52.24 H new ATOM 0 HD13 ILE A 25 23.738 -17.279 3.830 1.00 52.24 H new ATOM 576 N VAL A 26 21.194 -13.715 6.154 1.00 2.11 N ATOM 577 CA VAL A 26 20.225 -14.058 7.199 1.00 13.11 C ATOM 578 C VAL A 26 19.109 -13.013 7.265 1.00 2.32 C ATOM 579 O VAL A 26 17.945 -13.344 7.510 1.00 72.11 O ATOM 580 CB VAL A 26 20.890 -14.177 8.589 1.00 65.13 C ATOM 581 CG1 VAL A 26 19.882 -14.639 9.632 1.00 20.43 C ATOM 582 CG2 VAL A 26 22.080 -15.126 8.542 1.00 61.24 C ATOM 0 H VAL A 26 22.096 -13.394 6.505 1.00 2.11 H new ATOM 0 HA VAL A 26 19.806 -15.029 6.934 1.00 13.11 H new ATOM 0 HB VAL A 26 21.252 -13.189 8.874 1.00 65.13 H new ATOM 0 HG11 VAL A 26 20.372 -14.716 10.603 1.00 20.43 H new ATOM 0 HG12 VAL A 26 19.066 -13.919 9.693 1.00 20.43 H new ATOM 0 HG13 VAL A 26 19.485 -15.614 9.348 1.00 20.43 H new ATOM 0 HG21 VAL A 26 22.531 -15.193 9.532 1.00 61.24 H new ATOM 0 HG22 VAL A 26 21.745 -16.115 8.228 1.00 61.24 H new ATOM 0 HG23 VAL A 26 22.817 -14.751 7.832 1.00 61.24 H new ATOM 592 N LYS A 27 19.473 -11.754 7.030 1.00 23.21 N ATOM 593 CA LYS A 27 18.519 -10.656 7.046 1.00 0.55 C ATOM 594 C LYS A 27 17.532 -10.807 5.889 1.00 35.41 C ATOM 595 O LYS A 27 16.344 -10.516 6.032 1.00 2.44 O ATOM 596 CB LYS A 27 19.255 -9.316 6.936 1.00 75.22 C ATOM 597 CG LYS A 27 19.963 -8.854 8.211 1.00 2.03 C ATOM 598 CD LYS A 27 20.435 -10.003 9.096 1.00 3.04 C ATOM 599 CE LYS A 27 19.438 -10.307 10.203 1.00 63.21 C ATOM 600 NZ LYS A 27 19.864 -9.731 11.509 1.00 32.42 N ATOM 0 H LYS A 27 20.431 -11.471 6.825 1.00 23.21 H new ATOM 0 HA LYS A 27 17.970 -10.679 7.987 1.00 0.55 H new ATOM 0 HB2 LYS A 27 19.992 -9.389 6.137 1.00 75.22 H new ATOM 0 HB3 LYS A 27 18.539 -8.550 6.640 1.00 75.22 H new ATOM 0 HG2 LYS A 27 20.821 -8.240 7.938 1.00 2.03 H new ATOM 0 HG3 LYS A 27 19.286 -8.220 8.783 1.00 2.03 H new ATOM 0 HD2 LYS A 27 20.585 -10.894 8.486 1.00 3.04 H new ATOM 0 HD3 LYS A 27 21.400 -9.751 9.535 1.00 3.04 H new ATOM 0 HE2 LYS A 27 18.461 -9.907 9.931 1.00 63.21 H new ATOM 0 HE3 LYS A 27 19.324 -11.386 10.302 1.00 63.21 H new ATOM 0 HZ1 LYS A 27 19.157 -9.961 12.237 1.00 32.42 H new ATOM 0 HZ2 LYS A 27 20.784 -10.131 11.781 1.00 32.42 H new ATOM 0 HZ3 LYS A 27 19.948 -8.698 11.422 1.00 32.42 H new ATOM 614 N ARG A 28 18.039 -11.282 4.747 1.00 35.42 N ATOM 615 CA ARG A 28 17.211 -11.498 3.565 1.00 73.41 C ATOM 616 C ARG A 28 16.310 -12.728 3.745 1.00 21.31 C ATOM 617 O ARG A 28 15.323 -12.889 3.025 1.00 20.24 O ATOM 618 CB ARG A 28 18.088 -11.679 2.316 1.00 14.03 C ATOM 619 CG ARG A 28 19.008 -10.499 2.016 1.00 43.03 C ATOM 620 CD ARG A 28 20.029 -10.828 0.933 1.00 43.33 C ATOM 621 NE ARG A 28 19.416 -11.437 -0.251 1.00 51.53 N ATOM 622 CZ ARG A 28 19.894 -11.311 -1.491 1.00 40.33 C ATOM 623 NH1 ARG A 28 20.999 -10.608 -1.723 1.00 72.33 N ATOM 624 NH2 ARG A 28 19.264 -11.895 -2.506 1.00 53.35 N ATOM 0 H ARG A 28 19.022 -11.524 4.620 1.00 35.42 H new ATOM 0 HA ARG A 28 16.582 -10.618 3.434 1.00 73.41 H new ATOM 0 HB2 ARG A 28 18.696 -12.575 2.440 1.00 14.03 H new ATOM 0 HB3 ARG A 28 17.442 -11.849 1.455 1.00 14.03 H new ATOM 0 HG2 ARG A 28 18.409 -9.644 1.701 1.00 43.03 H new ATOM 0 HG3 ARG A 28 19.529 -10.205 2.927 1.00 43.03 H new ATOM 0 HD2 ARG A 28 20.550 -9.916 0.640 1.00 43.33 H new ATOM 0 HD3 ARG A 28 20.779 -11.507 1.339 1.00 43.33 H new ATOM 0 HE ARG A 28 18.571 -11.992 -0.119 1.00 51.53 H new ATOM 0 HH11 ARG A 28 21.490 -10.159 -0.950 1.00 72.33 H new ATOM 0 HH12 ARG A 28 21.356 -10.518 -2.674 1.00 72.33 H new ATOM 0 HH21 ARG A 28 18.417 -12.438 -2.336 1.00 53.35 H new ATOM 0 HH22 ARG A 28 19.627 -11.800 -3.454 1.00 53.35 H new ATOM 638 N LYS A 29 16.661 -13.596 4.703 1.00 42.34 N ATOM 639 CA LYS A 29 15.895 -14.809 4.972 1.00 71.22 C ATOM 640 C LYS A 29 14.519 -14.494 5.556 1.00 43.34 C ATOM 641 O LYS A 29 13.505 -14.949 5.025 1.00 45.01 O ATOM 642 CB LYS A 29 16.664 -15.733 5.922 1.00 55.42 C ATOM 643 CG LYS A 29 17.888 -16.380 5.289 1.00 13.50 C ATOM 644 CD LYS A 29 17.804 -17.899 5.326 1.00 64.11 C ATOM 645 CE LYS A 29 18.274 -18.517 4.016 1.00 44.41 C ATOM 646 NZ LYS A 29 19.760 -18.570 3.924 1.00 25.21 N ATOM 0 H LYS A 29 17.476 -13.475 5.305 1.00 42.34 H new ATOM 0 HA LYS A 29 15.748 -15.315 4.018 1.00 71.22 H new ATOM 0 HB2 LYS A 29 16.977 -15.162 6.796 1.00 55.42 H new ATOM 0 HB3 LYS A 29 15.993 -16.515 6.276 1.00 55.42 H new ATOM 0 HG2 LYS A 29 17.983 -16.046 4.256 1.00 13.50 H new ATOM 0 HG3 LYS A 29 18.785 -16.052 5.814 1.00 13.50 H new ATOM 0 HD2 LYS A 29 18.413 -18.278 6.147 1.00 64.11 H new ATOM 0 HD3 LYS A 29 16.776 -18.203 5.524 1.00 64.11 H new ATOM 0 HE2 LYS A 29 17.869 -19.525 3.925 1.00 44.41 H new ATOM 0 HE3 LYS A 29 17.880 -17.939 3.180 1.00 44.41 H new ATOM 0 HZ1 LYS A 29 20.048 -18.532 2.925 1.00 25.21 H new ATOM 0 HZ2 LYS A 29 20.168 -17.760 4.433 1.00 25.21 H new ATOM 0 HZ3 LYS A 29 20.103 -19.455 4.350 1.00 25.21 H new ATOM 660 N LEU A 30 14.470 -13.726 6.651 1.00 0.04 N ATOM 661 CA LEU A 30 13.178 -13.403 7.266 1.00 2.32 C ATOM 662 C LEU A 30 12.415 -12.326 6.500 1.00 0.13 C ATOM 663 O LEU A 30 11.185 -12.359 6.450 1.00 63.51 O ATOM 664 CB LEU A 30 13.288 -12.999 8.728 1.00 20.41 C ATOM 665 CG LEU A 30 14.591 -12.364 9.181 1.00 54.54 C ATOM 666 CD1 LEU A 30 14.741 -10.991 8.565 1.00 34.44 C ATOM 667 CD2 LEU A 30 14.593 -12.280 10.689 1.00 24.21 C ATOM 0 H LEU A 30 15.284 -13.327 7.118 1.00 0.04 H new ATOM 0 HA LEU A 30 12.616 -14.335 7.216 1.00 2.32 H new ATOM 0 HB2 LEU A 30 12.479 -12.301 8.947 1.00 20.41 H new ATOM 0 HB3 LEU A 30 13.116 -13.887 9.337 1.00 20.41 H new ATOM 0 HG LEU A 30 15.435 -12.972 8.855 1.00 54.54 H new ATOM 0 HD11 LEU A 30 15.678 -10.544 8.896 1.00 34.44 H new ATOM 0 HD12 LEU A 30 14.744 -11.078 7.478 1.00 34.44 H new ATOM 0 HD13 LEU A 30 13.908 -10.360 8.876 1.00 34.44 H new ATOM 0 HD21 LEU A 30 15.524 -11.825 11.027 1.00 24.21 H new ATOM 0 HD22 LEU A 30 13.751 -11.672 11.021 1.00 24.21 H new ATOM 0 HD23 LEU A 30 14.505 -13.282 11.109 1.00 24.21 H new ATOM 679 N ALA A 31 13.132 -11.376 5.900 1.00 13.00 N ATOM 680 CA ALA A 31 12.487 -10.309 5.139 1.00 53.21 C ATOM 681 C ALA A 31 11.837 -10.854 3.861 1.00 45.35 C ATOM 682 O ALA A 31 11.038 -10.167 3.224 1.00 64.14 O ATOM 683 CB ALA A 31 13.488 -9.212 4.804 1.00 32.31 C ATOM 0 H ALA A 31 14.150 -11.324 5.926 1.00 13.00 H new ATOM 0 HA ALA A 31 11.699 -9.883 5.760 1.00 53.21 H new ATOM 0 HB1 ALA A 31 12.990 -8.426 4.237 1.00 32.31 H new ATOM 0 HB2 ALA A 31 13.892 -8.794 5.726 1.00 32.31 H new ATOM 0 HB3 ALA A 31 14.300 -9.630 4.209 1.00 32.31 H new ATOM 689 N ALA A 32 12.174 -12.097 3.502 1.00 21.43 N ATOM 690 CA ALA A 32 11.614 -12.742 2.313 1.00 31.20 C ATOM 691 C ALA A 32 10.486 -13.699 2.699 1.00 72.33 C ATOM 692 O ALA A 32 9.488 -13.819 1.987 1.00 61.14 O ATOM 693 CB ALA A 32 12.700 -13.485 1.548 1.00 2.52 C ATOM 0 H ALA A 32 12.834 -12.677 4.020 1.00 21.43 H new ATOM 0 HA ALA A 32 11.202 -11.967 1.666 1.00 31.20 H new ATOM 0 HB1 ALA A 32 12.266 -13.958 0.667 1.00 2.52 H new ATOM 0 HB2 ALA A 32 13.473 -12.782 1.238 1.00 2.52 H new ATOM 0 HB3 ALA A 32 13.140 -14.248 2.190 1.00 2.52 H new ATOM 699 N HIS A 33 10.653 -14.363 3.844 1.00 43.24 N ATOM 700 CA HIS A 33 9.660 -15.299 4.362 1.00 1.23 C ATOM 701 C HIS A 33 9.028 -14.721 5.626 1.00 61.14 C ATOM 702 O HIS A 33 8.828 -15.426 6.618 1.00 14.32 O ATOM 703 CB HIS A 33 10.309 -16.654 4.667 1.00 41.43 C ATOM 704 CG HIS A 33 11.062 -17.241 3.511 1.00 14.22 C ATOM 705 ND1 HIS A 33 12.368 -17.145 3.160 1.00 52.35 N flip ATOM 706 CD2 HIS A 33 10.470 -18.038 2.555 1.00 0.13 C flip ATOM 707 CE1 HIS A 33 12.535 -17.880 2.012 1.00 13.42 C flip ATOM 708 NE2 HIS A 33 11.375 -18.409 1.668 1.00 43.33 N flip ATOM 0 H HIS A 33 11.479 -14.266 4.435 1.00 43.24 H new ATOM 0 HA HIS A 33 8.887 -15.451 3.609 1.00 1.23 H new ATOM 0 HB2 HIS A 33 10.990 -16.538 5.510 1.00 41.43 H new ATOM 0 HB3 HIS A 33 9.534 -17.355 4.977 1.00 41.43 H new ATOM 0 HD1 HIS A 33 13.091 -16.624 3.656 1.00 52.35 H new ATOM 0 HD2 HIS A 33 9.427 -18.316 2.535 1.00 0.13 H new ATOM 0 HE1 HIS A 33 13.465 -18.005 1.477 1.00 13.42 H new ATOM 716 N ASP A 34 8.736 -13.421 5.584 1.00 42.54 N ATOM 717 CA ASP A 34 8.152 -12.716 6.714 1.00 52.21 C ATOM 718 C ASP A 34 6.648 -12.982 6.826 1.00 21.13 C ATOM 719 O ASP A 34 6.082 -12.889 7.916 1.00 71.41 O ATOM 720 CB ASP A 34 8.445 -11.214 6.572 1.00 1.33 C ATOM 721 CG ASP A 34 7.235 -10.407 6.129 1.00 71.54 C ATOM 722 OD1 ASP A 34 6.965 -10.368 4.910 1.00 32.42 O ATOM 723 OD2 ASP A 34 6.558 -9.819 6.996 1.00 31.20 O ATOM 0 H ASP A 34 8.899 -12.833 4.767 1.00 42.54 H new ATOM 0 HA ASP A 34 8.603 -13.085 7.635 1.00 52.21 H new ATOM 0 HB2 ASP A 34 8.801 -10.828 7.527 1.00 1.33 H new ATOM 0 HB3 ASP A 34 9.251 -11.074 5.851 1.00 1.33 H new ATOM 728 N ASN A 35 6.007 -13.306 5.694 1.00 41.03 N ATOM 729 CA ASN A 35 4.566 -13.580 5.668 1.00 44.03 C ATOM 730 C ASN A 35 3.770 -12.316 5.994 1.00 60.43 C ATOM 731 O ASN A 35 2.836 -12.340 6.799 1.00 3.13 O ATOM 732 CB ASN A 35 4.205 -14.701 6.654 1.00 33.23 C ATOM 733 CG ASN A 35 4.944 -15.993 6.363 1.00 55.54 C ATOM 734 OD1 ASN A 35 4.554 -16.758 5.480 1.00 11.22 O ATOM 735 ND2 ASN A 35 6.018 -16.245 7.106 1.00 5.23 N ATOM 0 H ASN A 35 6.465 -13.384 4.786 1.00 41.03 H new ATOM 0 HA ASN A 35 4.305 -13.907 4.662 1.00 44.03 H new ATOM 0 HB2 ASN A 35 4.435 -14.376 7.669 1.00 33.23 H new ATOM 0 HB3 ASN A 35 3.131 -14.884 6.614 1.00 33.23 H new ATOM 0 HD21 ASN A 35 6.554 -17.100 6.955 1.00 5.23 H new ATOM 0 HD22 ASN A 35 6.306 -15.584 7.827 1.00 5.23 H new ATOM 742 N LEU A 36 4.158 -11.212 5.360 1.00 3.32 N ATOM 743 CA LEU A 36 3.511 -9.920 5.565 1.00 24.14 C ATOM 744 C LEU A 36 1.994 -10.008 5.384 1.00 43.34 C ATOM 745 O LEU A 36 1.506 -10.346 4.304 1.00 74.22 O ATOM 746 CB LEU A 36 4.093 -8.895 4.589 1.00 32.11 C ATOM 747 CG LEU A 36 3.757 -7.431 4.880 1.00 12.43 C ATOM 748 CD1 LEU A 36 4.584 -6.908 6.045 1.00 11.22 C ATOM 749 CD2 LEU A 36 3.989 -6.592 3.633 1.00 62.23 C ATOM 0 H LEU A 36 4.928 -11.188 4.691 1.00 3.32 H new ATOM 0 HA LEU A 36 3.703 -9.607 6.591 1.00 24.14 H new ATOM 0 HB2 LEU A 36 5.177 -9.004 4.581 1.00 32.11 H new ATOM 0 HB3 LEU A 36 3.741 -9.136 3.586 1.00 32.11 H new ATOM 0 HG LEU A 36 2.706 -7.361 5.161 1.00 12.43 H new ATOM 0 HD11 LEU A 36 4.328 -5.865 6.234 1.00 11.22 H new ATOM 0 HD12 LEU A 36 4.373 -7.500 6.936 1.00 11.22 H new ATOM 0 HD13 LEU A 36 5.644 -6.983 5.802 1.00 11.22 H new ATOM 0 HD21 LEU A 36 3.748 -5.550 3.845 1.00 62.23 H new ATOM 0 HD22 LEU A 36 5.034 -6.669 3.332 1.00 62.23 H new ATOM 0 HD23 LEU A 36 3.351 -6.955 2.827 1.00 62.23 H new ATOM 761 N LYS A 37 1.260 -9.678 6.446 1.00 71.12 N ATOM 762 CA LYS A 37 -0.203 -9.686 6.415 1.00 60.54 C ATOM 763 C LYS A 37 -0.706 -8.249 6.332 1.00 24.21 C ATOM 764 O LYS A 37 -0.335 -7.421 7.161 1.00 3.53 O ATOM 765 CB LYS A 37 -0.766 -10.371 7.665 1.00 11.53 C ATOM 766 CG LYS A 37 -1.954 -11.278 7.385 1.00 13.02 C ATOM 767 CD LYS A 37 -2.353 -12.069 8.622 1.00 72.43 C ATOM 768 CE LYS A 37 -3.865 -12.201 8.742 1.00 71.34 C ATOM 769 NZ LYS A 37 -4.341 -13.554 8.339 1.00 32.13 N ATOM 0 H LYS A 37 1.657 -9.400 7.344 1.00 71.12 H new ATOM 0 HA LYS A 37 -0.540 -10.245 5.542 1.00 60.54 H new ATOM 0 HB2 LYS A 37 0.024 -10.957 8.134 1.00 11.53 H new ATOM 0 HB3 LYS A 37 -1.065 -9.607 8.383 1.00 11.53 H new ATOM 0 HG2 LYS A 37 -2.799 -10.679 7.046 1.00 13.02 H new ATOM 0 HG3 LYS A 37 -1.706 -11.965 6.576 1.00 13.02 H new ATOM 0 HD2 LYS A 37 -1.903 -13.061 8.580 1.00 72.43 H new ATOM 0 HD3 LYS A 37 -1.959 -11.577 9.511 1.00 72.43 H new ATOM 0 HE2 LYS A 37 -4.166 -12.002 9.771 1.00 71.34 H new ATOM 0 HE3 LYS A 37 -4.345 -11.447 8.118 1.00 71.34 H new ATOM 0 HZ1 LYS A 37 -5.312 -13.697 8.683 1.00 32.13 H new ATOM 0 HZ2 LYS A 37 -4.326 -13.633 7.302 1.00 32.13 H new ATOM 0 HZ3 LYS A 37 -3.718 -14.278 8.750 1.00 32.13 H new ATOM 783 N LEU A 38 -1.515 -7.940 5.318 1.00 53.05 N ATOM 784 CA LEU A 38 -2.011 -6.578 5.135 1.00 55.31 C ATOM 785 C LEU A 38 -3.528 -6.460 5.259 1.00 42.42 C ATOM 786 O LEU A 38 -4.285 -7.268 4.719 1.00 35.15 O ATOM 787 CB LEU A 38 -1.575 -6.037 3.773 1.00 51.31 C ATOM 788 CG LEU A 38 -0.253 -5.270 3.776 1.00 54.31 C ATOM 789 CD1 LEU A 38 0.902 -6.193 4.120 1.00 13.53 C ATOM 790 CD2 LEU A 38 -0.021 -4.595 2.432 1.00 32.41 C ATOM 0 H LEU A 38 -1.838 -8.608 4.618 1.00 53.05 H new ATOM 0 HA LEU A 38 -1.576 -5.987 5.941 1.00 55.31 H new ATOM 0 HB2 LEU A 38 -1.492 -6.872 3.077 1.00 51.31 H new ATOM 0 HB3 LEU A 38 -2.358 -5.381 3.392 1.00 51.31 H new ATOM 0 HG LEU A 38 -0.309 -4.496 4.541 1.00 54.31 H new ATOM 0 HD11 LEU A 38 1.834 -5.627 4.117 1.00 13.53 H new ATOM 0 HD12 LEU A 38 0.742 -6.623 5.109 1.00 13.53 H new ATOM 0 HD13 LEU A 38 0.961 -6.993 3.382 1.00 13.53 H new ATOM 0 HD21 LEU A 38 0.925 -4.054 2.455 1.00 32.41 H new ATOM 0 HD22 LEU A 38 0.011 -5.350 1.646 1.00 32.41 H new ATOM 0 HD23 LEU A 38 -0.833 -3.896 2.231 1.00 32.41 H new ATOM 802 N THR A 39 -3.943 -5.403 5.946 1.00 4.12 N ATOM 803 CA THR A 39 -5.354 -5.077 6.142 1.00 34.14 C ATOM 804 C THR A 39 -5.554 -3.612 5.801 1.00 60.12 C ATOM 805 O THR A 39 -4.817 -2.749 6.281 1.00 0.32 O ATOM 806 CB THR A 39 -5.793 -5.367 7.580 1.00 24.24 C ATOM 807 OG1 THR A 39 -5.248 -6.594 8.037 1.00 60.24 O ATOM 808 CG2 THR A 39 -7.296 -5.445 7.741 1.00 13.24 C ATOM 0 H THR A 39 -3.305 -4.741 6.388 1.00 4.12 H new ATOM 0 HA THR A 39 -5.968 -5.698 5.490 1.00 34.14 H new ATOM 0 HB THR A 39 -5.422 -4.528 8.169 1.00 24.24 H new ATOM 0 HG1 THR A 39 -5.540 -6.759 8.958 1.00 60.24 H new ATOM 0 HG21 THR A 39 -7.540 -5.653 8.783 1.00 13.24 H new ATOM 0 HG22 THR A 39 -7.743 -4.496 7.446 1.00 13.24 H new ATOM 0 HG23 THR A 39 -7.689 -6.243 7.110 1.00 13.24 H new ATOM 816 N ILE A 40 -6.512 -3.345 4.927 1.00 63.45 N ATOM 817 CA ILE A 40 -6.763 -1.990 4.469 1.00 32.40 C ATOM 818 C ILE A 40 -8.098 -1.432 4.967 1.00 3.04 C ATOM 819 O ILE A 40 -9.147 -2.055 4.801 1.00 63.13 O ATOM 820 CB ILE A 40 -6.746 -1.933 2.926 1.00 13.50 C ATOM 821 CG1 ILE A 40 -5.760 -2.953 2.335 1.00 43.23 C ATOM 822 CG2 ILE A 40 -6.412 -0.532 2.446 1.00 45.13 C ATOM 823 CD1 ILE A 40 -4.315 -2.503 2.363 1.00 40.54 C ATOM 0 H ILE A 40 -7.128 -4.050 4.521 1.00 63.45 H new ATOM 0 HA ILE A 40 -5.965 -1.374 4.884 1.00 32.40 H new ATOM 0 HB ILE A 40 -7.745 -2.194 2.576 1.00 13.50 H new ATOM 0 HG12 ILE A 40 -5.849 -3.889 2.886 1.00 43.23 H new ATOM 0 HG13 ILE A 40 -6.044 -3.162 1.304 1.00 43.23 H new ATOM 0 HG21 ILE A 40 -6.405 -0.513 1.356 1.00 45.13 H new ATOM 0 HG22 ILE A 40 -7.161 0.168 2.816 1.00 45.13 H new ATOM 0 HG23 ILE A 40 -5.430 -0.244 2.820 1.00 45.13 H new ATOM 0 HD11 ILE A 40 -3.684 -3.278 1.928 1.00 40.54 H new ATOM 0 HD12 ILE A 40 -4.209 -1.584 1.787 1.00 40.54 H new ATOM 0 HD13 ILE A 40 -4.010 -2.322 3.394 1.00 40.54 H new ATOM 835 N THR A 41 -8.038 -0.236 5.560 1.00 54.24 N ATOM 836 CA THR A 41 -9.224 0.457 6.069 1.00 51.53 C ATOM 837 C THR A 41 -9.012 1.974 6.001 1.00 13.25 C ATOM 838 O THR A 41 -8.082 2.499 6.620 1.00 34.23 O ATOM 839 CB THR A 41 -9.534 0.032 7.510 1.00 54.44 C ATOM 840 OG1 THR A 41 -8.369 -0.443 8.164 1.00 3.41 O ATOM 841 CG2 THR A 41 -10.586 -1.055 7.601 1.00 35.25 C ATOM 0 H THR A 41 -7.168 0.278 5.700 1.00 54.24 H new ATOM 0 HA THR A 41 -10.075 0.184 5.444 1.00 51.53 H new ATOM 0 HB THR A 41 -9.916 0.931 7.995 1.00 54.44 H new ATOM 0 HG1 THR A 41 -7.620 0.162 7.979 1.00 3.41 H new ATOM 0 HG21 THR A 41 -10.758 -1.309 8.647 1.00 35.25 H new ATOM 0 HG22 THR A 41 -11.516 -0.700 7.157 1.00 35.25 H new ATOM 0 HG23 THR A 41 -10.242 -1.940 7.065 1.00 35.25 H new ATOM 849 N GLN A 42 -9.857 2.672 5.236 1.00 12.40 N ATOM 850 CA GLN A 42 -9.732 4.127 5.082 1.00 11.23 C ATOM 851 C GLN A 42 -10.989 4.859 5.530 1.00 64.22 C ATOM 852 O GLN A 42 -12.106 4.354 5.390 1.00 53.05 O ATOM 853 CB GLN A 42 -9.439 4.472 3.617 1.00 71.12 C ATOM 854 CG GLN A 42 -9.204 5.957 3.328 1.00 31.40 C ATOM 855 CD GLN A 42 -9.874 6.396 2.038 1.00 54.33 C ATOM 856 OE1 GLN A 42 -11.099 6.496 1.963 1.00 22.20 O ATOM 857 NE2 GLN A 42 -9.074 6.655 1.010 1.00 60.41 N ATOM 0 H GLN A 42 -10.631 2.258 4.716 1.00 12.40 H new ATOM 0 HA GLN A 42 -8.909 4.453 5.718 1.00 11.23 H new ATOM 0 HB2 GLN A 42 -8.559 3.913 3.299 1.00 71.12 H new ATOM 0 HB3 GLN A 42 -10.273 4.128 3.006 1.00 71.12 H new ATOM 0 HG2 GLN A 42 -9.586 6.553 4.157 1.00 31.40 H new ATOM 0 HG3 GLN A 42 -8.133 6.149 3.265 1.00 31.40 H new ATOM 0 HE21 GLN A 42 -8.064 6.560 1.113 1.00 60.41 H new ATOM 0 HE22 GLN A 42 -9.470 6.949 0.117 1.00 60.41 H new ATOM 866 N GLU A 43 -10.788 6.070 6.044 1.00 44.32 N ATOM 867 CA GLU A 43 -11.881 6.920 6.492 1.00 55.23 C ATOM 868 C GLU A 43 -11.613 8.353 6.048 1.00 62.13 C ATOM 869 O GLU A 43 -11.210 9.205 6.845 1.00 44.33 O ATOM 870 CB GLU A 43 -12.024 6.850 8.008 1.00 52.44 C ATOM 871 CG GLU A 43 -12.268 5.442 8.533 1.00 11.51 C ATOM 872 CD GLU A 43 -11.204 4.980 9.514 1.00 4.24 C ATOM 873 OE1 GLU A 43 -10.000 5.096 9.192 1.00 12.14 O ATOM 874 OE2 GLU A 43 -11.575 4.499 10.604 1.00 11.50 O ATOM 0 H GLU A 43 -9.864 6.486 6.160 1.00 44.32 H new ATOM 0 HA GLU A 43 -12.814 6.572 6.049 1.00 55.23 H new ATOM 0 HB2 GLU A 43 -11.120 7.249 8.469 1.00 52.44 H new ATOM 0 HB3 GLU A 43 -12.849 7.492 8.317 1.00 52.44 H new ATOM 0 HG2 GLU A 43 -13.243 5.406 9.019 1.00 11.51 H new ATOM 0 HG3 GLU A 43 -12.305 4.749 7.693 1.00 11.51 H new ATOM 881 N GLY A 44 -11.820 8.596 4.760 1.00 54.53 N ATOM 882 CA GLY A 44 -11.584 9.913 4.193 1.00 74.33 C ATOM 883 C GLY A 44 -10.297 9.993 3.420 1.00 73.43 C ATOM 884 O GLY A 44 -10.061 9.216 2.496 1.00 0.12 O ATOM 0 H GLY A 44 -12.150 7.899 4.092 1.00 54.53 H new ATOM 0 HA2 GLY A 44 -12.414 10.175 3.536 1.00 74.33 H new ATOM 0 HA3 GLY A 44 -11.567 10.651 4.995 1.00 74.33 H new ATOM 888 N ASN A 45 -9.467 10.933 3.814 1.00 43.43 N ATOM 889 CA ASN A 45 -8.176 11.142 3.189 1.00 4.35 C ATOM 890 C ASN A 45 -7.074 10.618 4.106 1.00 15.04 C ATOM 891 O ASN A 45 -5.906 10.989 3.986 1.00 13.00 O ATOM 892 CB ASN A 45 -8.008 12.631 2.863 1.00 51.14 C ATOM 893 CG ASN A 45 -7.220 13.407 3.906 1.00 52.31 C ATOM 894 OD1 ASN A 45 -7.733 13.714 4.981 1.00 72.44 O ATOM 895 ND2 ASN A 45 -5.971 13.736 3.590 1.00 42.33 N ATOM 0 H ASN A 45 -9.667 11.577 4.579 1.00 43.43 H new ATOM 0 HA ASN A 45 -8.108 10.589 2.252 1.00 4.35 H new ATOM 0 HB2 ASN A 45 -7.508 12.727 1.899 1.00 51.14 H new ATOM 0 HB3 ASN A 45 -8.994 13.083 2.757 1.00 51.14 H new ATOM 0 HD21 ASN A 45 -5.400 14.263 4.251 1.00 42.33 H new ATOM 0 HD22 ASN A 45 -5.584 13.461 2.687 1.00 42.33 H new ATOM 902 N LYS A 46 -7.471 9.720 5.011 1.00 21.13 N ATOM 903 CA LYS A 46 -6.553 9.099 5.951 1.00 43.55 C ATOM 904 C LYS A 46 -6.693 7.589 5.864 1.00 42.34 C ATOM 905 O LYS A 46 -7.808 7.060 5.836 1.00 1.03 O ATOM 906 CB LYS A 46 -6.825 9.587 7.377 1.00 0.23 C ATOM 907 CG LYS A 46 -6.310 8.651 8.464 1.00 40.04 C ATOM 908 CD LYS A 46 -6.895 8.997 9.824 1.00 20.10 C ATOM 909 CE LYS A 46 -6.618 7.904 10.847 1.00 4.01 C ATOM 910 NZ LYS A 46 -7.692 6.871 10.874 1.00 33.42 N ATOM 0 H LYS A 46 -8.437 9.408 5.108 1.00 21.13 H new ATOM 0 HA LYS A 46 -5.532 9.380 5.694 1.00 43.55 H new ATOM 0 HB2 LYS A 46 -6.365 10.567 7.508 1.00 0.23 H new ATOM 0 HB3 LYS A 46 -7.899 9.719 7.506 1.00 0.23 H new ATOM 0 HG2 LYS A 46 -6.564 7.622 8.209 1.00 40.04 H new ATOM 0 HG3 LYS A 46 -5.223 8.709 8.510 1.00 40.04 H new ATOM 0 HD2 LYS A 46 -6.473 9.939 10.174 1.00 20.10 H new ATOM 0 HD3 LYS A 46 -7.971 9.145 9.731 1.00 20.10 H new ATOM 0 HE2 LYS A 46 -5.665 7.428 10.618 1.00 4.01 H new ATOM 0 HE3 LYS A 46 -6.522 8.351 11.836 1.00 4.01 H new ATOM 0 HZ1 LYS A 46 -7.460 6.148 11.585 1.00 33.42 H new ATOM 0 HZ2 LYS A 46 -8.598 7.319 11.118 1.00 33.42 H new ATOM 0 HZ3 LYS A 46 -7.768 6.424 9.938 1.00 33.42 H new ATOM 924 N PHE A 47 -5.565 6.902 5.792 1.00 54.12 N ATOM 925 CA PHE A 47 -5.569 5.456 5.672 1.00 23.11 C ATOM 926 C PHE A 47 -4.746 4.797 6.759 1.00 33.44 C ATOM 927 O PHE A 47 -3.662 5.267 7.108 1.00 43.04 O ATOM 928 CB PHE A 47 -5.020 5.071 4.310 1.00 1.40 C ATOM 929 CG PHE A 47 -5.881 4.112 3.557 1.00 51.31 C ATOM 930 CD1 PHE A 47 -6.285 2.927 4.139 1.00 71.12 C ATOM 931 CD2 PHE A 47 -6.291 4.403 2.266 1.00 62.42 C ATOM 932 CE1 PHE A 47 -7.086 2.045 3.445 1.00 25.43 C ATOM 933 CE2 PHE A 47 -7.091 3.523 1.564 1.00 40.13 C ATOM 934 CZ PHE A 47 -7.489 2.341 2.155 1.00 72.21 C ATOM 0 H PHE A 47 -4.636 7.323 5.815 1.00 54.12 H new ATOM 0 HA PHE A 47 -6.596 5.108 5.781 1.00 23.11 H new ATOM 0 HB2 PHE A 47 -4.892 5.974 3.713 1.00 1.40 H new ATOM 0 HB3 PHE A 47 -4.031 4.631 4.439 1.00 1.40 H new ATOM 0 HD1 PHE A 47 -5.971 2.689 5.145 1.00 71.12 H new ATOM 0 HD2 PHE A 47 -5.981 5.329 1.803 1.00 62.42 H new ATOM 0 HE1 PHE A 47 -7.399 1.122 3.909 1.00 25.43 H new ATOM 0 HE2 PHE A 47 -7.404 3.759 0.557 1.00 40.13 H new ATOM 0 HZ PHE A 47 -8.114 1.648 1.611 1.00 72.21 H new ATOM 944 N THR A 48 -5.262 3.689 7.271 1.00 41.33 N ATOM 945 CA THR A 48 -4.570 2.939 8.303 1.00 22.53 C ATOM 946 C THR A 48 -4.553 1.455 7.968 1.00 32.44 C ATOM 947 O THR A 48 -5.592 0.789 7.982 1.00 34.13 O ATOM 948 CB THR A 48 -5.200 3.177 9.681 1.00 32.31 C ATOM 949 OG1 THR A 48 -5.142 4.553 10.029 1.00 52.13 O ATOM 950 CG2 THR A 48 -4.528 2.394 10.795 1.00 42.12 C ATOM 0 H THR A 48 -6.157 3.291 6.987 1.00 41.33 H new ATOM 0 HA THR A 48 -3.541 3.295 8.342 1.00 22.53 H new ATOM 0 HB THR A 48 -6.230 2.834 9.589 1.00 32.31 H new ATOM 0 HG1 THR A 48 -5.550 4.685 10.910 1.00 52.13 H new ATOM 0 HG21 THR A 48 -5.024 2.610 11.742 1.00 42.12 H new ATOM 0 HG22 THR A 48 -4.598 1.327 10.583 1.00 42.12 H new ATOM 0 HG23 THR A 48 -3.479 2.683 10.861 1.00 42.12 H new ATOM 958 N VAL A 49 -3.362 0.946 7.665 1.00 51.55 N ATOM 959 CA VAL A 49 -3.192 -0.455 7.323 1.00 11.04 C ATOM 960 C VAL A 49 -2.343 -1.170 8.369 1.00 32.14 C ATOM 961 O VAL A 49 -1.391 -0.599 8.908 1.00 64.22 O ATOM 962 CB VAL A 49 -2.544 -0.627 5.931 1.00 63.23 C ATOM 963 CG1 VAL A 49 -3.432 -0.032 4.848 1.00 24.14 C ATOM 964 CG2 VAL A 49 -1.156 -0.001 5.891 1.00 12.03 C ATOM 0 H VAL A 49 -2.499 1.489 7.651 1.00 51.55 H new ATOM 0 HA VAL A 49 -4.187 -0.900 7.299 1.00 11.04 H new ATOM 0 HB VAL A 49 -2.437 -1.695 5.740 1.00 63.23 H new ATOM 0 HG11 VAL A 49 -2.958 -0.164 3.876 1.00 24.14 H new ATOM 0 HG12 VAL A 49 -4.398 -0.537 4.852 1.00 24.14 H new ATOM 0 HG13 VAL A 49 -3.577 1.031 5.040 1.00 24.14 H new ATOM 0 HG21 VAL A 49 -0.724 -0.137 4.900 1.00 12.03 H new ATOM 0 HG22 VAL A 49 -1.231 1.064 6.111 1.00 12.03 H new ATOM 0 HG23 VAL A 49 -0.519 -0.481 6.634 1.00 12.03 H new ATOM 974 N LYS A 50 -2.695 -2.421 8.648 1.00 51.25 N ATOM 975 CA LYS A 50 -1.967 -3.224 9.625 1.00 34.22 C ATOM 976 C LYS A 50 -1.076 -4.239 8.918 1.00 73.11 C ATOM 977 O LYS A 50 -1.552 -5.024 8.094 1.00 25.42 O ATOM 978 CB LYS A 50 -2.940 -3.944 10.563 1.00 34.45 C ATOM 979 CG LYS A 50 -2.482 -3.968 12.012 1.00 53.15 C ATOM 980 CD LYS A 50 -3.412 -4.805 12.876 1.00 3.50 C ATOM 981 CE LYS A 50 -3.308 -4.422 14.345 1.00 13.15 C ATOM 982 NZ LYS A 50 -4.214 -3.292 14.693 1.00 34.21 N ATOM 0 H LYS A 50 -3.481 -2.902 8.211 1.00 51.25 H new ATOM 0 HA LYS A 50 -1.341 -2.557 10.218 1.00 34.22 H new ATOM 0 HB2 LYS A 50 -3.914 -3.457 10.506 1.00 34.45 H new ATOM 0 HB3 LYS A 50 -3.075 -4.969 10.216 1.00 34.45 H new ATOM 0 HG2 LYS A 50 -1.471 -4.370 12.068 1.00 53.15 H new ATOM 0 HG3 LYS A 50 -2.442 -2.950 12.399 1.00 53.15 H new ATOM 0 HD2 LYS A 50 -4.440 -4.675 12.537 1.00 3.50 H new ATOM 0 HD3 LYS A 50 -3.169 -5.861 12.757 1.00 3.50 H new ATOM 0 HE2 LYS A 50 -3.552 -5.286 14.963 1.00 13.15 H new ATOM 0 HE3 LYS A 50 -2.279 -4.146 14.576 1.00 13.15 H new ATOM 0 HZ1 LYS A 50 -4.004 -2.963 15.657 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 -4.069 -2.511 14.021 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 -5.202 -3.612 14.644 1.00 34.21 H new ATOM 996 N GLU A 51 0.218 -4.215 9.238 1.00 41.41 N ATOM 997 CA GLU A 51 1.176 -5.132 8.629 1.00 2.42 C ATOM 998 C GLU A 51 1.941 -5.911 9.694 1.00 40.32 C ATOM 999 O GLU A 51 2.669 -5.327 10.500 1.00 43.43 O ATOM 1000 CB GLU A 51 2.160 -4.370 7.735 1.00 24.43 C ATOM 1001 CG GLU A 51 1.515 -3.271 6.900 1.00 2.05 C ATOM 1002 CD GLU A 51 1.871 -1.879 7.395 1.00 1.34 C ATOM 1003 OE1 GLU A 51 1.535 -1.553 8.555 1.00 61.22 O ATOM 1004 OE2 GLU A 51 2.497 -1.117 6.627 1.00 43.54 O ATOM 0 H GLU A 51 0.625 -3.570 9.915 1.00 41.41 H new ATOM 0 HA GLU A 51 0.616 -5.839 8.017 1.00 2.42 H new ATOM 0 HB2 GLU A 51 2.936 -3.929 8.360 1.00 24.43 H new ATOM 0 HB3 GLU A 51 2.652 -5.078 7.068 1.00 24.43 H new ATOM 0 HG2 GLU A 51 1.830 -3.376 5.862 1.00 2.05 H new ATOM 0 HG3 GLU A 51 0.432 -3.394 6.918 1.00 2.05 H new ATOM 1011 N SER A 52 1.773 -7.232 9.688 1.00 34.51 N ATOM 1012 CA SER A 52 2.454 -8.094 10.649 1.00 24.54 C ATOM 1013 C SER A 52 3.549 -8.899 9.958 1.00 41.21 C ATOM 1014 O SER A 52 3.312 -9.524 8.920 1.00 12.32 O ATOM 1015 CB SER A 52 1.465 -9.042 11.336 1.00 0.53 C ATOM 1016 OG SER A 52 0.154 -8.497 11.368 1.00 74.44 O ATOM 0 H SER A 52 1.172 -7.727 9.029 1.00 34.51 H new ATOM 0 HA SER A 52 2.905 -7.457 11.409 1.00 24.54 H new ATOM 0 HB2 SER A 52 1.450 -9.997 10.810 1.00 0.53 H new ATOM 0 HB3 SER A 52 1.801 -9.244 12.353 1.00 0.53 H new ATOM 0 HG SER A 52 0.025 -8.005 12.206 1.00 74.44 H new ATOM 1022 N SER A 53 4.746 -8.879 10.537 1.00 31.11 N ATOM 1023 CA SER A 53 5.881 -9.606 9.980 1.00 14.42 C ATOM 1024 C SER A 53 6.319 -10.740 10.904 1.00 73.11 C ATOM 1025 O SER A 53 5.761 -10.930 11.988 1.00 45.21 O ATOM 1026 CB SER A 53 7.058 -8.658 9.728 1.00 24.21 C ATOM 1027 OG SER A 53 6.658 -7.532 8.963 1.00 41.33 O ATOM 0 H SER A 53 4.955 -8.366 11.393 1.00 31.11 H new ATOM 0 HA SER A 53 5.562 -10.038 9.031 1.00 14.42 H new ATOM 0 HB2 SER A 53 7.470 -8.325 10.681 1.00 24.21 H new ATOM 0 HB3 SER A 53 7.852 -9.192 9.206 1.00 24.21 H new ATOM 0 HG SER A 53 6.471 -7.812 8.043 1.00 41.33 H new ATOM 1033 N ALA A 54 7.322 -11.492 10.458 1.00 53.43 N ATOM 1034 CA ALA A 54 7.850 -12.619 11.220 1.00 52.45 C ATOM 1035 C ALA A 54 8.559 -12.179 12.504 1.00 3.21 C ATOM 1036 O ALA A 54 8.592 -12.928 13.479 1.00 22.41 O ATOM 1037 CB ALA A 54 8.803 -13.425 10.352 1.00 53.02 C ATOM 0 H ALA A 54 7.789 -11.338 9.564 1.00 53.43 H new ATOM 0 HA ALA A 54 7.002 -13.236 11.517 1.00 52.45 H new ATOM 0 HB1 ALA A 54 9.195 -14.265 10.925 1.00 53.02 H new ATOM 0 HB2 ALA A 54 8.271 -13.799 9.477 1.00 53.02 H new ATOM 0 HB3 ALA A 54 9.628 -12.789 10.030 1.00 53.02 H new ATOM 1043 N PHE A 55 9.148 -10.980 12.498 1.00 40.31 N ATOM 1044 CA PHE A 55 9.873 -10.485 13.674 1.00 4.13 C ATOM 1045 C PHE A 55 9.148 -9.344 14.403 1.00 13.44 C ATOM 1046 O PHE A 55 9.578 -8.943 15.486 1.00 34.45 O ATOM 1047 CB PHE A 55 11.298 -10.046 13.295 1.00 55.21 C ATOM 1048 CG PHE A 55 11.395 -9.240 12.027 1.00 23.13 C ATOM 1049 CD1 PHE A 55 11.367 -9.862 10.788 1.00 2.34 C ATOM 1050 CD2 PHE A 55 11.528 -7.862 12.076 1.00 11.33 C ATOM 1051 CE1 PHE A 55 11.466 -9.125 9.623 1.00 64.22 C ATOM 1052 CE2 PHE A 55 11.630 -7.119 10.915 1.00 72.12 C ATOM 1053 CZ PHE A 55 11.598 -7.751 9.687 1.00 72.43 C ATOM 0 H PHE A 55 9.139 -10.340 11.704 1.00 40.31 H new ATOM 0 HA PHE A 55 9.921 -11.323 14.369 1.00 4.13 H new ATOM 0 HB2 PHE A 55 11.712 -9.459 14.115 1.00 55.21 H new ATOM 0 HB3 PHE A 55 11.921 -10.934 13.193 1.00 55.21 H new ATOM 0 HD1 PHE A 55 11.267 -10.936 10.733 1.00 2.34 H new ATOM 0 HD2 PHE A 55 11.552 -7.362 13.033 1.00 11.33 H new ATOM 0 HE1 PHE A 55 11.440 -9.622 8.665 1.00 64.22 H new ATOM 0 HE2 PHE A 55 11.735 -6.045 10.968 1.00 72.12 H new ATOM 0 HZ PHE A 55 11.676 -7.172 8.779 1.00 72.43 H new ATOM 1063 N ARG A 56 8.059 -8.819 13.831 1.00 34.30 N ATOM 1064 CA ARG A 56 7.321 -7.726 14.476 1.00 13.05 C ATOM 1065 C ARG A 56 5.951 -7.499 13.833 1.00 72.24 C ATOM 1066 O ARG A 56 5.634 -8.079 12.798 1.00 13.31 O ATOM 1067 CB ARG A 56 8.140 -6.428 14.426 1.00 13.22 C ATOM 1068 CG ARG A 56 8.417 -5.924 13.015 1.00 32.30 C ATOM 1069 CD ARG A 56 8.563 -4.407 12.976 1.00 24.50 C ATOM 1070 NE ARG A 56 7.942 -3.824 11.785 1.00 53.23 N ATOM 1071 CZ ARG A 56 7.897 -2.512 11.531 1.00 71.23 C ATOM 1072 NH1 ARG A 56 8.418 -1.639 12.394 1.00 1.03 N ATOM 1073 NH2 ARG A 56 7.330 -2.071 10.413 1.00 24.10 N ATOM 0 H ARG A 56 7.674 -9.126 12.938 1.00 34.30 H new ATOM 0 HA ARG A 56 7.157 -8.016 15.514 1.00 13.05 H new ATOM 0 HB2 ARG A 56 7.609 -5.654 14.980 1.00 13.22 H new ATOM 0 HB3 ARG A 56 9.090 -6.590 14.936 1.00 13.22 H new ATOM 0 HG2 ARG A 56 9.328 -6.387 12.636 1.00 32.30 H new ATOM 0 HG3 ARG A 56 7.606 -6.229 12.354 1.00 32.30 H new ATOM 0 HD2 ARG A 56 8.109 -3.977 13.869 1.00 24.50 H new ATOM 0 HD3 ARG A 56 9.621 -4.144 12.998 1.00 24.50 H new ATOM 0 HE ARG A 56 7.518 -4.458 11.108 1.00 53.23 H new ATOM 0 HH11 ARG A 56 8.854 -1.971 13.254 1.00 1.03 H new ATOM 0 HH12 ARG A 56 8.380 -0.640 12.194 1.00 1.03 H new ATOM 0 HH21 ARG A 56 6.929 -2.733 9.749 1.00 24.10 H new ATOM 0 HH22 ARG A 56 7.296 -1.070 10.219 1.00 24.10 H new ATOM 1087 N ASN A 57 5.150 -6.636 14.462 1.00 31.42 N ATOM 1088 CA ASN A 57 3.813 -6.302 13.968 1.00 54.41 C ATOM 1089 C ASN A 57 3.420 -4.899 14.436 1.00 74.24 C ATOM 1090 O ASN A 57 3.481 -4.603 15.631 1.00 24.15 O ATOM 1091 CB ASN A 57 2.784 -7.325 14.466 1.00 24.20 C ATOM 1092 CG ASN A 57 1.354 -6.827 14.326 1.00 73.23 C ATOM 1093 OD1 ASN A 57 0.814 -6.762 13.222 1.00 51.04 O ATOM 1094 ND2 ASN A 57 0.735 -6.464 15.445 1.00 62.42 N ATOM 0 H ASN A 57 5.408 -6.152 15.322 1.00 31.42 H new ATOM 0 HA ASN A 57 3.829 -6.327 12.878 1.00 54.41 H new ATOM 0 HB2 ASN A 57 2.899 -8.253 13.906 1.00 24.20 H new ATOM 0 HB3 ASN A 57 2.984 -7.557 15.512 1.00 24.20 H new ATOM 0 HD21 ASN A 57 -0.223 -6.116 15.408 1.00 62.42 H new ATOM 0 HD22 ASN A 57 1.218 -6.533 16.341 1.00 62.42 H new ATOM 1101 N ILE A 58 3.019 -4.039 13.498 1.00 25.12 N ATOM 1102 CA ILE A 58 2.621 -2.670 13.838 1.00 3.13 C ATOM 1103 C ILE A 58 1.554 -2.131 12.881 1.00 64.23 C ATOM 1104 O ILE A 58 1.209 -2.775 11.886 1.00 22.31 O ATOM 1105 CB ILE A 58 3.831 -1.701 13.840 1.00 20.51 C ATOM 1106 CG1 ILE A 58 4.488 -1.640 12.455 1.00 52.23 C ATOM 1107 CG2 ILE A 58 4.849 -2.110 14.895 1.00 75.41 C ATOM 1108 CD1 ILE A 58 4.974 -0.254 12.076 1.00 21.30 C ATOM 0 H ILE A 58 2.961 -4.263 12.505 1.00 25.12 H new ATOM 0 HA ILE A 58 2.203 -2.721 14.844 1.00 3.13 H new ATOM 0 HB ILE A 58 3.462 -0.705 14.086 1.00 20.51 H new ATOM 0 HG12 ILE A 58 5.331 -2.331 12.431 1.00 52.23 H new ATOM 0 HG13 ILE A 58 3.773 -1.983 11.707 1.00 52.23 H new ATOM 0 HG21 ILE A 58 5.689 -1.416 14.878 1.00 75.41 H new ATOM 0 HG22 ILE A 58 4.381 -2.090 15.879 1.00 75.41 H new ATOM 0 HG23 ILE A 58 5.207 -3.118 14.684 1.00 75.41 H new ATOM 0 HD11 ILE A 58 5.427 -0.286 11.085 1.00 21.30 H new ATOM 0 HD12 ILE A 58 4.131 0.437 12.068 1.00 21.30 H new ATOM 0 HD13 ILE A 58 5.713 0.084 12.802 1.00 21.30 H new ATOM 1120 N GLU A 59 1.048 -0.936 13.192 1.00 54.42 N ATOM 1121 CA GLU A 59 0.032 -0.276 12.373 1.00 12.40 C ATOM 1122 C GLU A 59 0.595 1.005 11.761 1.00 51.03 C ATOM 1123 O GLU A 59 1.297 1.764 12.433 1.00 71.13 O ATOM 1124 CB GLU A 59 -1.199 0.053 13.221 1.00 32.22 C ATOM 1125 CG GLU A 59 -2.385 0.554 12.410 1.00 25.31 C ATOM 1126 CD GLU A 59 -3.505 -0.462 12.325 1.00 15.25 C ATOM 1127 OE1 GLU A 59 -4.038 -0.845 13.386 1.00 51.24 O ATOM 1128 OE2 GLU A 59 -3.849 -0.874 11.199 1.00 33.42 O ATOM 0 H GLU A 59 1.330 -0.402 14.014 1.00 54.42 H new ATOM 0 HA GLU A 59 -0.259 -0.954 11.571 1.00 12.40 H new ATOM 0 HB2 GLU A 59 -1.498 -0.838 13.772 1.00 32.22 H new ATOM 0 HB3 GLU A 59 -0.929 0.809 13.959 1.00 32.22 H new ATOM 0 HG2 GLU A 59 -2.765 1.472 12.859 1.00 25.31 H new ATOM 0 HG3 GLU A 59 -2.051 0.806 11.403 1.00 25.31 H new ATOM 1135 N VAL A 60 0.283 1.241 10.488 1.00 43.31 N ATOM 1136 CA VAL A 60 0.760 2.434 9.794 1.00 60.32 C ATOM 1137 C VAL A 60 -0.409 3.311 9.348 1.00 25.40 C ATOM 1138 O VAL A 60 -1.457 2.805 8.942 1.00 41.11 O ATOM 1139 CB VAL A 60 1.630 2.068 8.568 1.00 33.43 C ATOM 1140 CG1 VAL A 60 1.902 3.293 7.703 1.00 11.33 C ATOM 1141 CG2 VAL A 60 2.938 1.430 9.015 1.00 22.33 C ATOM 0 H VAL A 60 -0.296 0.624 9.918 1.00 43.31 H new ATOM 0 HA VAL A 60 1.375 2.991 10.501 1.00 60.32 H new ATOM 0 HB VAL A 60 1.078 1.346 7.966 1.00 33.43 H new ATOM 0 HG11 VAL A 60 2.515 3.006 6.849 1.00 11.33 H new ATOM 0 HG12 VAL A 60 0.957 3.706 7.349 1.00 11.33 H new ATOM 0 HG13 VAL A 60 2.428 4.044 8.292 1.00 11.33 H new ATOM 0 HG21 VAL A 60 3.538 1.179 8.140 1.00 22.33 H new ATOM 0 HG22 VAL A 60 3.488 2.130 9.643 1.00 22.33 H new ATOM 0 HG23 VAL A 60 2.726 0.524 9.582 1.00 22.33 H new ATOM 1151 N VAL A 61 -0.215 4.628 9.425 1.00 51.31 N ATOM 1152 CA VAL A 61 -1.243 5.585 9.028 1.00 14.14 C ATOM 1153 C VAL A 61 -0.661 6.668 8.115 1.00 23.40 C ATOM 1154 O VAL A 61 0.520 7.013 8.219 1.00 4.12 O ATOM 1155 CB VAL A 61 -1.909 6.245 10.258 1.00 72.31 C ATOM 1156 CG1 VAL A 61 -0.889 7.011 11.088 1.00 62.11 C ATOM 1157 CG2 VAL A 61 -3.052 7.157 9.828 1.00 63.33 C ATOM 0 H VAL A 61 0.648 5.055 9.760 1.00 51.31 H new ATOM 0 HA VAL A 61 -2.003 5.029 8.480 1.00 14.14 H new ATOM 0 HB VAL A 61 -2.321 5.452 10.883 1.00 72.31 H new ATOM 0 HG11 VAL A 61 -1.385 7.465 11.946 1.00 62.11 H new ATOM 0 HG12 VAL A 61 -0.115 6.327 11.436 1.00 62.11 H new ATOM 0 HG13 VAL A 61 -0.435 7.791 10.477 1.00 62.11 H new ATOM 0 HG21 VAL A 61 -3.506 7.611 10.709 1.00 63.33 H new ATOM 0 HG22 VAL A 61 -2.667 7.940 9.174 1.00 63.33 H new ATOM 0 HG23 VAL A 61 -3.801 6.574 9.293 1.00 63.33 H new ATOM 1167 N PHE A 62 -1.499 7.193 7.221 1.00 52.13 N ATOM 1168 CA PHE A 62 -1.080 8.231 6.287 1.00 12.54 C ATOM 1169 C PHE A 62 -2.258 9.131 5.900 1.00 3.10 C ATOM 1170 O PHE A 62 -3.421 8.790 6.133 1.00 42.14 O ATOM 1171 CB PHE A 62 -0.474 7.592 5.024 1.00 24.43 C ATOM 1172 CG PHE A 62 -1.331 7.752 3.795 1.00 24.13 C ATOM 1173 CD1 PHE A 62 -2.520 7.051 3.667 1.00 73.34 C ATOM 1174 CD2 PHE A 62 -0.959 8.620 2.782 1.00 32.33 C ATOM 1175 CE1 PHE A 62 -3.320 7.213 2.552 1.00 40.54 C ATOM 1176 CE2 PHE A 62 -1.755 8.783 1.665 1.00 5.22 C ATOM 1177 CZ PHE A 62 -2.936 8.079 1.552 1.00 2.24 C ATOM 0 H PHE A 62 -2.475 6.913 7.126 1.00 52.13 H new ATOM 0 HA PHE A 62 -0.326 8.845 6.779 1.00 12.54 H new ATOM 0 HB2 PHE A 62 0.503 8.037 4.835 1.00 24.43 H new ATOM 0 HB3 PHE A 62 -0.311 6.530 5.207 1.00 24.43 H new ATOM 0 HD1 PHE A 62 -2.825 6.370 4.448 1.00 73.34 H new ATOM 0 HD2 PHE A 62 -0.037 9.175 2.866 1.00 32.33 H new ATOM 0 HE1 PHE A 62 -4.245 6.662 2.465 1.00 40.54 H new ATOM 0 HE2 PHE A 62 -1.453 9.461 0.881 1.00 5.22 H new ATOM 0 HZ PHE A 62 -3.560 8.207 0.679 1.00 2.24 H new ATOM 1187 N GLU A 63 -1.937 10.260 5.274 1.00 63.42 N ATOM 1188 CA GLU A 63 -2.941 11.208 4.802 1.00 3.42 C ATOM 1189 C GLU A 63 -2.524 11.741 3.437 1.00 41.15 C ATOM 1190 O GLU A 63 -1.394 12.209 3.274 1.00 14.31 O ATOM 1191 CB GLU A 63 -3.110 12.364 5.789 1.00 15.30 C ATOM 1192 CG GLU A 63 -4.298 12.199 6.722 1.00 5.21 C ATOM 1193 CD GLU A 63 -3.883 11.848 8.137 1.00 21.41 C ATOM 1194 OE1 GLU A 63 -3.649 12.778 8.937 1.00 73.55 O ATOM 1195 OE2 GLU A 63 -3.792 10.642 8.447 1.00 23.24 O ATOM 0 H GLU A 63 -0.976 10.543 5.080 1.00 63.42 H new ATOM 0 HA GLU A 63 -3.899 10.695 4.720 1.00 3.42 H new ATOM 0 HB2 GLU A 63 -2.202 12.458 6.384 1.00 15.30 H new ATOM 0 HB3 GLU A 63 -3.223 13.293 5.231 1.00 15.30 H new ATOM 0 HG2 GLU A 63 -4.876 13.123 6.735 1.00 5.21 H new ATOM 0 HG3 GLU A 63 -4.953 11.419 6.335 1.00 5.21 H new ATOM 1202 N LEU A 64 -3.419 11.651 2.451 1.00 41.24 N ATOM 1203 CA LEU A 64 -3.102 12.116 1.100 1.00 25.31 C ATOM 1204 C LEU A 64 -2.633 13.568 1.115 1.00 64.21 C ATOM 1205 O LEU A 64 -3.431 14.486 1.311 1.00 75.33 O ATOM 1206 CB LEU A 64 -4.311 11.988 0.161 1.00 72.43 C ATOM 1207 CG LEU A 64 -4.771 10.562 -0.166 1.00 43.35 C ATOM 1208 CD1 LEU A 64 -6.087 10.596 -0.929 1.00 25.50 C ATOM 1209 CD2 LEU A 64 -3.710 9.831 -0.975 1.00 34.21 C ATOM 0 H LEU A 64 -4.357 11.266 2.560 1.00 41.24 H new ATOM 0 HA LEU A 64 -2.298 11.480 0.729 1.00 25.31 H new ATOM 0 HB2 LEU A 64 -5.149 12.524 0.607 1.00 72.43 H new ATOM 0 HB3 LEU A 64 -4.072 12.493 -0.775 1.00 72.43 H new ATOM 0 HG LEU A 64 -4.922 10.024 0.770 1.00 43.35 H new ATOM 0 HD11 LEU A 64 -6.403 9.578 -1.155 1.00 25.50 H new ATOM 0 HD12 LEU A 64 -6.848 11.085 -0.321 1.00 25.50 H new ATOM 0 HD13 LEU A 64 -5.954 11.150 -1.859 1.00 25.50 H new ATOM 0 HD21 LEU A 64 -4.054 8.821 -1.198 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -3.530 10.367 -1.907 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -2.785 9.781 -0.401 1.00 34.21 H new ATOM 1221 N GLY A 65 -1.336 13.762 0.888 1.00 13.13 N ATOM 1222 CA GLY A 65 -0.766 15.103 0.855 1.00 61.23 C ATOM 1223 C GLY A 65 -0.252 15.596 2.202 1.00 33.40 C ATOM 1224 O GLY A 65 -0.068 16.801 2.387 1.00 31.14 O ATOM 0 H GLY A 65 -0.665 13.011 0.725 1.00 13.13 H new ATOM 0 HA2 GLY A 65 0.054 15.119 0.137 1.00 61.23 H new ATOM 0 HA3 GLY A 65 -1.522 15.798 0.491 1.00 61.23 H new ATOM 1228 N VAL A 66 -0.012 14.681 3.142 1.00 54.12 N ATOM 1229 CA VAL A 66 0.491 15.054 4.464 1.00 53.02 C ATOM 1230 C VAL A 66 1.806 14.335 4.759 1.00 43.05 C ATOM 1231 O VAL A 66 1.812 13.139 5.041 1.00 34.55 O ATOM 1232 CB VAL A 66 -0.532 14.724 5.573 1.00 4.02 C ATOM 1233 CG1 VAL A 66 -0.117 15.357 6.892 1.00 63.24 C ATOM 1234 CG2 VAL A 66 -1.927 15.183 5.172 1.00 60.25 C ATOM 0 H VAL A 66 -0.157 13.680 3.013 1.00 54.12 H new ATOM 0 HA VAL A 66 0.658 16.131 4.455 1.00 53.02 H new ATOM 0 HB VAL A 66 -0.554 13.642 5.706 1.00 4.02 H new ATOM 0 HG11 VAL A 66 -0.851 15.112 7.660 1.00 63.24 H new ATOM 0 HG12 VAL A 66 0.859 14.974 7.188 1.00 63.24 H new ATOM 0 HG13 VAL A 66 -0.062 16.439 6.775 1.00 63.24 H new ATOM 0 HG21 VAL A 66 -2.632 14.941 5.967 1.00 60.25 H new ATOM 0 HG22 VAL A 66 -1.922 16.260 5.007 1.00 60.25 H new ATOM 0 HG23 VAL A 66 -2.227 14.677 4.254 1.00 60.25 H new ATOM 1244 N THR A 67 2.920 15.066 4.678 1.00 22.33 N ATOM 1245 CA THR A 67 4.239 14.480 4.924 1.00 62.25 C ATOM 1246 C THR A 67 4.451 14.174 6.404 1.00 44.54 C ATOM 1247 O THR A 67 4.152 14.998 7.270 1.00 11.02 O ATOM 1248 CB THR A 67 5.351 15.406 4.416 1.00 75.24 C ATOM 1249 OG1 THR A 67 5.125 15.773 3.064 1.00 3.31 O ATOM 1250 CG2 THR A 67 6.734 14.786 4.495 1.00 44.42 C ATOM 0 H THR A 67 2.935 16.059 4.445 1.00 22.33 H new ATOM 0 HA THR A 67 4.282 13.540 4.374 1.00 62.25 H new ATOM 0 HB THR A 67 5.320 16.275 5.073 1.00 75.24 H new ATOM 0 HG1 THR A 67 5.845 16.365 2.761 1.00 3.31 H new ATOM 0 HG21 THR A 67 7.472 15.495 4.120 1.00 44.42 H new ATOM 0 HG22 THR A 67 6.963 14.538 5.531 1.00 44.42 H new ATOM 0 HG23 THR A 67 6.761 13.879 3.890 1.00 44.42 H new ATOM 1258 N PHE A 68 4.978 12.982 6.683 1.00 31.50 N ATOM 1259 CA PHE A 68 5.244 12.561 8.055 1.00 0.00 C ATOM 1260 C PHE A 68 6.582 11.828 8.147 1.00 75.51 C ATOM 1261 O PHE A 68 7.149 11.420 7.130 1.00 12.33 O ATOM 1262 CB PHE A 68 4.104 11.672 8.577 1.00 52.04 C ATOM 1263 CG PHE A 68 4.269 10.204 8.274 1.00 41.54 C ATOM 1264 CD1 PHE A 68 4.226 9.742 6.968 1.00 12.23 C ATOM 1265 CD2 PHE A 68 4.462 9.289 9.298 1.00 20.41 C ATOM 1266 CE1 PHE A 68 4.373 8.397 6.688 1.00 43.01 C ATOM 1267 CE2 PHE A 68 4.611 7.942 9.023 1.00 5.12 C ATOM 1268 CZ PHE A 68 4.565 7.496 7.717 1.00 44.54 C ATOM 0 H PHE A 68 5.229 12.292 5.975 1.00 31.50 H new ATOM 0 HA PHE A 68 5.300 13.452 8.680 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.025 11.801 9.656 1.00 52.04 H new ATOM 0 HB3 PHE A 68 3.164 12.016 8.145 1.00 52.04 H new ATOM 0 HD1 PHE A 68 4.076 10.442 6.159 1.00 12.23 H new ATOM 0 HD2 PHE A 68 4.496 9.632 10.321 1.00 20.41 H new ATOM 0 HE1 PHE A 68 4.338 8.051 5.666 1.00 43.01 H new ATOM 0 HE2 PHE A 68 4.763 7.239 9.829 1.00 5.12 H new ATOM 0 HZ PHE A 68 4.679 6.444 7.500 1.00 44.54 H new ATOM 1278 N ASN A 69 7.078 11.664 9.370 1.00 43.12 N ATOM 1279 CA ASN A 69 8.343 10.979 9.598 1.00 25.13 C ATOM 1280 C ASN A 69 8.105 9.515 9.960 1.00 33.41 C ATOM 1281 O ASN A 69 7.445 9.213 10.957 1.00 42.23 O ATOM 1282 CB ASN A 69 9.136 11.679 10.708 1.00 45.42 C ATOM 1283 CG ASN A 69 10.406 10.934 11.071 1.00 0.14 C ATOM 1284 OD1 ASN A 69 11.493 11.278 10.608 1.00 45.12 O ATOM 1285 ND2 ASN A 69 10.273 9.906 11.904 1.00 22.53 N ATOM 0 H ASN A 69 6.621 11.997 10.219 1.00 43.12 H new ATOM 0 HA ASN A 69 8.924 11.016 8.676 1.00 25.13 H new ATOM 0 HB2 ASN A 69 9.390 12.689 10.387 1.00 45.42 H new ATOM 0 HB3 ASN A 69 8.508 11.774 11.594 1.00 45.42 H new ATOM 0 HD21 ASN A 69 11.092 9.367 12.184 1.00 22.53 H new ATOM 0 HD22 ASN A 69 9.352 9.657 12.263 1.00 22.53 H new ATOM 1292 N TYR A 70 8.651 8.612 9.147 1.00 24.33 N ATOM 1293 CA TYR A 70 8.508 7.177 9.378 1.00 33.55 C ATOM 1294 C TYR A 70 9.832 6.580 9.843 1.00 23.32 C ATOM 1295 O TYR A 70 10.893 6.936 9.329 1.00 71.21 O ATOM 1296 CB TYR A 70 8.027 6.478 8.100 1.00 55.41 C ATOM 1297 CG TYR A 70 7.864 4.979 8.237 1.00 73.43 C ATOM 1298 CD1 TYR A 70 6.736 4.437 8.838 1.00 51.04 C ATOM 1299 CD2 TYR A 70 8.836 4.107 7.759 1.00 40.22 C ATOM 1300 CE1 TYR A 70 6.580 3.070 8.962 1.00 13.53 C ATOM 1301 CE2 TYR A 70 8.686 2.738 7.878 1.00 25.40 C ATOM 1302 CZ TYR A 70 7.556 2.224 8.481 1.00 2.22 C ATOM 1303 OH TYR A 70 7.402 0.861 8.602 1.00 53.12 O ATOM 0 H TYR A 70 9.198 8.851 8.320 1.00 24.33 H new ATOM 0 HA TYR A 70 7.765 7.023 10.160 1.00 33.55 H new ATOM 0 HB2 TYR A 70 7.072 6.910 7.800 1.00 55.41 H new ATOM 0 HB3 TYR A 70 8.736 6.683 7.298 1.00 55.41 H new ATOM 0 HD1 TYR A 70 5.967 5.095 9.215 1.00 51.04 H new ATOM 0 HD2 TYR A 70 9.722 4.506 7.287 1.00 40.22 H new ATOM 0 HE1 TYR A 70 5.697 2.666 9.434 1.00 13.53 H new ATOM 0 HE2 TYR A 70 9.450 2.074 7.501 1.00 25.40 H new ATOM 0 HH TYR A 70 8.178 0.408 8.211 1.00 53.12 H new ATOM 1313 N ASN A 71 9.766 5.678 10.823 1.00 0.22 N ATOM 1314 CA ASN A 71 10.966 5.045 11.361 1.00 4.24 C ATOM 1315 C ASN A 71 11.084 3.595 10.906 1.00 61.42 C ATOM 1316 O ASN A 71 10.082 2.930 10.636 1.00 34.32 O ATOM 1317 CB ASN A 71 10.966 5.117 12.887 1.00 22.50 C ATOM 1318 CG ASN A 71 11.563 6.412 13.398 1.00 0.31 C ATOM 1319 OD1 ASN A 71 10.842 7.360 13.706 1.00 1.51 O ATOM 1320 ND2 ASN A 71 12.888 6.462 13.486 1.00 31.50 N ATOM 0 H ASN A 71 8.896 5.371 11.258 1.00 0.22 H new ATOM 0 HA ASN A 71 11.828 5.590 10.977 1.00 4.24 H new ATOM 0 HB2 ASN A 71 9.944 5.020 13.254 1.00 22.50 H new ATOM 0 HB3 ASN A 71 11.530 4.275 13.289 1.00 22.50 H new ATOM 0 HD21 ASN A 71 13.345 7.310 13.820 1.00 31.50 H new ATOM 0 HD22 ASN A 71 13.448 5.652 13.220 1.00 31.50 H new ATOM 1327 N LEU A 72 12.325 3.118 10.821 1.00 4.10 N ATOM 1328 CA LEU A 72 12.606 1.749 10.397 1.00 63.14 C ATOM 1329 C LEU A 72 12.878 0.845 11.604 1.00 51.42 C ATOM 1330 O LEU A 72 12.592 1.214 12.746 1.00 45.31 O ATOM 1331 CB LEU A 72 13.802 1.740 9.433 1.00 43.25 C ATOM 1332 CG LEU A 72 13.662 2.664 8.219 1.00 71.12 C ATOM 1333 CD1 LEU A 72 14.996 2.821 7.503 1.00 33.34 C ATOM 1334 CD2 LEU A 72 12.603 2.133 7.264 1.00 72.12 C ATOM 0 H LEU A 72 13.157 3.665 11.042 1.00 4.10 H new ATOM 0 HA LEU A 72 11.730 1.357 9.880 1.00 63.14 H new ATOM 0 HB2 LEU A 72 14.697 2.025 9.986 1.00 43.25 H new ATOM 0 HB3 LEU A 72 13.956 0.721 9.079 1.00 43.25 H new ATOM 0 HG LEU A 72 13.348 3.646 8.572 1.00 71.12 H new ATOM 0 HD11 LEU A 72 14.873 3.481 6.644 1.00 33.34 H new ATOM 0 HD12 LEU A 72 15.728 3.249 8.188 1.00 33.34 H new ATOM 0 HD13 LEU A 72 15.344 1.845 7.163 1.00 33.34 H new ATOM 0 HD21 LEU A 72 12.517 2.802 6.408 1.00 72.12 H new ATOM 0 HD22 LEU A 72 12.888 1.139 6.921 1.00 72.12 H new ATOM 0 HD23 LEU A 72 11.644 2.078 7.779 1.00 72.12 H new ATOM 1346 N ALA A 73 13.439 -0.340 11.345 1.00 21.44 N ATOM 1347 CA ALA A 73 13.757 -1.294 12.406 1.00 34.41 C ATOM 1348 C ALA A 73 15.179 -1.085 12.943 1.00 52.04 C ATOM 1349 O ALA A 73 15.618 -1.802 13.842 1.00 12.52 O ATOM 1350 CB ALA A 73 13.590 -2.720 11.893 1.00 51.52 C ATOM 0 H ALA A 73 13.682 -0.660 10.407 1.00 21.44 H new ATOM 0 HA ALA A 73 13.063 -1.125 13.230 1.00 34.41 H new ATOM 0 HB1 ALA A 73 13.829 -3.424 12.690 1.00 51.52 H new ATOM 0 HB2 ALA A 73 12.560 -2.873 11.571 1.00 51.52 H new ATOM 0 HB3 ALA A 73 14.262 -2.885 11.050 1.00 51.52 H new ATOM 1356 N ASP A 74 15.899 -0.111 12.379 1.00 74.13 N ATOM 1357 CA ASP A 74 17.274 0.175 12.792 1.00 25.12 C ATOM 1358 C ASP A 74 17.417 1.574 13.405 1.00 64.22 C ATOM 1359 O ASP A 74 18.529 1.993 13.740 1.00 4.40 O ATOM 1360 CB ASP A 74 18.224 0.043 11.593 1.00 60.12 C ATOM 1361 CG ASP A 74 17.518 0.155 10.255 1.00 61.21 C ATOM 1362 OD1 ASP A 74 17.211 1.292 9.839 1.00 5.34 O ATOM 1363 OD2 ASP A 74 17.270 -0.893 9.626 1.00 1.00 O ATOM 0 H ASP A 74 15.551 0.493 11.634 1.00 74.13 H new ATOM 0 HA ASP A 74 17.537 -0.554 13.559 1.00 25.12 H new ATOM 0 HB2 ASP A 74 18.990 0.816 11.658 1.00 60.12 H new ATOM 0 HB3 ASP A 74 18.735 -0.918 11.647 1.00 60.12 H new ATOM 1368 N GLY A 75 16.301 2.296 13.547 1.00 41.01 N ATOM 1369 CA GLY A 75 16.349 3.634 14.114 1.00 0.13 C ATOM 1370 C GLY A 75 16.301 4.728 13.058 1.00 72.32 C ATOM 1371 O GLY A 75 15.983 5.877 13.372 1.00 65.34 O ATOM 0 H GLY A 75 15.370 1.977 13.280 1.00 41.01 H new ATOM 0 HA2 GLY A 75 15.512 3.762 14.801 1.00 0.13 H new ATOM 0 HA3 GLY A 75 17.262 3.742 14.700 1.00 0.13 H new ATOM 1375 N THR A 76 16.615 4.377 11.805 1.00 71.52 N ATOM 1376 CA THR A 76 16.599 5.344 10.708 1.00 14.02 C ATOM 1377 C THR A 76 15.177 5.826 10.436 1.00 24.24 C ATOM 1378 O THR A 76 14.225 5.045 10.489 1.00 72.14 O ATOM 1379 CB THR A 76 17.188 4.731 9.428 1.00 43.14 C ATOM 1380 OG1 THR A 76 18.385 4.020 9.708 1.00 2.34 O ATOM 1381 CG2 THR A 76 17.503 5.759 8.352 1.00 5.13 C ATOM 0 H THR A 76 16.882 3.432 11.529 1.00 71.52 H new ATOM 0 HA THR A 76 17.213 6.194 11.006 1.00 14.02 H new ATOM 0 HB THR A 76 16.413 4.063 9.053 1.00 43.14 H new ATOM 0 HG1 THR A 76 18.183 3.066 9.806 1.00 2.34 H new ATOM 0 HG21 THR A 76 17.915 5.256 7.477 1.00 5.13 H new ATOM 0 HG22 THR A 76 16.590 6.284 8.072 1.00 5.13 H new ATOM 0 HG23 THR A 76 18.230 6.475 8.735 1.00 5.13 H new ATOM 1389 N GLU A 77 15.041 7.114 10.139 1.00 21.10 N ATOM 1390 CA GLU A 77 13.737 7.700 9.849 1.00 65.25 C ATOM 1391 C GLU A 77 13.749 8.377 8.482 1.00 53.33 C ATOM 1392 O GLU A 77 14.728 9.032 8.119 1.00 12.43 O ATOM 1393 CB GLU A 77 13.343 8.708 10.933 1.00 4.23 C ATOM 1394 CG GLU A 77 14.400 9.774 11.199 1.00 42.22 C ATOM 1395 CD GLU A 77 14.945 9.748 12.619 1.00 55.32 C ATOM 1396 OE1 GLU A 77 14.801 8.712 13.307 1.00 73.52 O ATOM 1397 OE2 GLU A 77 15.526 10.769 13.042 1.00 41.12 O ATOM 0 H GLU A 77 15.818 7.773 10.093 1.00 21.10 H new ATOM 0 HA GLU A 77 12.999 6.898 9.837 1.00 65.25 H new ATOM 0 HB2 GLU A 77 12.414 9.197 10.640 1.00 4.23 H new ATOM 0 HB3 GLU A 77 13.142 8.170 11.860 1.00 4.23 H new ATOM 0 HG2 GLU A 77 15.225 9.639 10.499 1.00 42.22 H new ATOM 0 HG3 GLU A 77 13.972 10.756 11.001 1.00 42.22 H new ATOM 1404 N LEU A 78 12.662 8.215 7.727 1.00 44.02 N ATOM 1405 CA LEU A 78 12.555 8.814 6.398 1.00 74.41 C ATOM 1406 C LEU A 78 11.363 9.759 6.325 1.00 65.44 C ATOM 1407 O LEU A 78 10.340 9.535 6.979 1.00 53.24 O ATOM 1408 CB LEU A 78 12.406 7.746 5.300 1.00 53.34 C ATOM 1409 CG LEU A 78 13.149 6.421 5.515 1.00 24.10 C ATOM 1410 CD1 LEU A 78 14.536 6.650 6.098 1.00 43.13 C ATOM 1411 CD2 LEU A 78 12.329 5.494 6.401 1.00 53.31 C ATOM 0 H LEU A 78 11.845 7.675 8.013 1.00 44.02 H new ATOM 0 HA LEU A 78 13.479 9.368 6.229 1.00 74.41 H new ATOM 0 HB2 LEU A 78 11.345 7.525 5.184 1.00 53.34 H new ATOM 0 HB3 LEU A 78 12.747 8.177 4.359 1.00 53.34 H new ATOM 0 HG LEU A 78 13.280 5.944 4.544 1.00 24.10 H new ATOM 0 HD11 LEU A 78 15.035 5.691 6.238 1.00 43.13 H new ATOM 0 HD12 LEU A 78 15.120 7.267 5.415 1.00 43.13 H new ATOM 0 HD13 LEU A 78 14.448 7.156 7.059 1.00 43.13 H new ATOM 0 HD21 LEU A 78 12.868 4.558 6.545 1.00 53.31 H new ATOM 0 HD22 LEU A 78 12.161 5.969 7.368 1.00 53.31 H new ATOM 0 HD23 LEU A 78 11.370 5.291 5.925 1.00 53.31 H new ATOM 1423 N ARG A 79 11.489 10.795 5.502 1.00 45.21 N ATOM 1424 CA ARG A 79 10.413 11.752 5.310 1.00 51.34 C ATOM 1425 C ARG A 79 9.699 11.429 4.007 1.00 35.54 C ATOM 1426 O ARG A 79 10.228 11.675 2.917 1.00 14.43 O ATOM 1427 CB ARG A 79 10.947 13.189 5.296 1.00 45.42 C ATOM 1428 CG ARG A 79 10.166 14.132 6.200 1.00 13.20 C ATOM 1429 CD ARG A 79 10.817 15.506 6.277 1.00 13.10 C ATOM 1430 NE ARG A 79 9.852 16.588 6.072 1.00 40.04 N ATOM 1431 CZ ARG A 79 9.594 17.151 4.888 1.00 14.34 C ATOM 1432 NH1 ARG A 79 10.188 16.709 3.779 1.00 31.25 N ATOM 1433 NH2 ARG A 79 8.728 18.155 4.811 1.00 63.35 N ATOM 0 H ARG A 79 12.329 10.991 4.958 1.00 45.21 H new ATOM 0 HA ARG A 79 9.712 11.677 6.141 1.00 51.34 H new ATOM 0 HB2 ARG A 79 11.992 13.184 5.605 1.00 45.42 H new ATOM 0 HB3 ARG A 79 10.919 13.570 4.275 1.00 45.42 H new ATOM 0 HG2 ARG A 79 9.147 14.233 5.827 1.00 13.20 H new ATOM 0 HG3 ARG A 79 10.099 13.705 7.200 1.00 13.20 H new ATOM 0 HD2 ARG A 79 11.294 15.626 7.250 1.00 13.10 H new ATOM 0 HD3 ARG A 79 11.604 15.576 5.526 1.00 13.10 H new ATOM 0 HE ARG A 79 9.344 16.934 6.886 1.00 40.04 H new ATOM 0 HH11 ARG A 79 10.848 15.933 3.829 1.00 31.25 H new ATOM 0 HH12 ARG A 79 9.983 17.147 2.881 1.00 31.25 H new ATOM 0 HH21 ARG A 79 8.263 18.493 5.654 1.00 63.35 H new ATOM 0 HH22 ARG A 79 8.528 18.588 3.909 1.00 63.35 H new ATOM 1447 N GLY A 80 8.511 10.846 4.122 1.00 20.12 N ATOM 1448 CA GLY A 80 7.760 10.470 2.943 1.00 5.12 C ATOM 1449 C GLY A 80 6.284 10.246 3.222 1.00 23.10 C ATOM 1450 O GLY A 80 5.834 10.359 4.366 1.00 3.42 O ATOM 0 H GLY A 80 8.057 10.628 5.009 1.00 20.12 H new ATOM 0 HA2 GLY A 80 7.867 11.249 2.188 1.00 5.12 H new ATOM 0 HA3 GLY A 80 8.186 9.559 2.523 1.00 5.12 H new ATOM 1454 N THR A 81 5.535 9.920 2.167 1.00 23.20 N ATOM 1455 CA THR A 81 4.092 9.661 2.269 1.00 3.01 C ATOM 1456 C THR A 81 3.515 9.290 0.904 1.00 23.23 C ATOM 1457 O THR A 81 4.259 9.039 -0.048 1.00 65.31 O ATOM 1458 CB THR A 81 3.322 10.874 2.827 1.00 44.13 C ATOM 1459 OG1 THR A 81 4.152 12.016 2.957 1.00 5.01 O ATOM 1460 CG2 THR A 81 2.675 10.600 4.171 1.00 53.55 C ATOM 0 H THR A 81 5.906 9.828 1.221 1.00 23.20 H new ATOM 0 HA THR A 81 3.971 8.829 2.963 1.00 3.01 H new ATOM 0 HB THR A 81 2.539 11.067 2.094 1.00 44.13 H new ATOM 0 HG1 THR A 81 3.797 12.743 2.404 1.00 5.01 H new ATOM 0 HG21 THR A 81 2.149 11.492 4.510 1.00 53.55 H new ATOM 0 HG22 THR A 81 1.968 9.776 4.073 1.00 53.55 H new ATOM 0 HG23 THR A 81 3.443 10.334 4.897 1.00 53.55 H new ATOM 1468 N TRP A 82 2.186 9.270 0.814 1.00 2.44 N ATOM 1469 CA TRP A 82 1.507 8.949 -0.432 1.00 71.44 C ATOM 1470 C TRP A 82 0.662 10.135 -0.897 1.00 1.42 C ATOM 1471 O TRP A 82 0.082 10.855 -0.081 1.00 12.53 O ATOM 1472 CB TRP A 82 0.641 7.700 -0.260 1.00 1.30 C ATOM 1473 CG TRP A 82 1.436 6.431 -0.211 1.00 33.42 C ATOM 1474 CD1 TRP A 82 2.090 5.910 0.870 1.00 4.21 C ATOM 1475 CD2 TRP A 82 1.666 5.524 -1.294 1.00 22.31 C ATOM 1476 NE1 TRP A 82 2.707 4.732 0.525 1.00 0.34 N ATOM 1477 CE2 TRP A 82 2.462 4.474 -0.798 1.00 33.30 C ATOM 1478 CE3 TRP A 82 1.272 5.497 -2.633 1.00 34.10 C ATOM 1479 CZ2 TRP A 82 2.871 3.410 -1.598 1.00 32.11 C ATOM 1480 CZ3 TRP A 82 1.679 4.442 -3.425 1.00 51.42 C ATOM 1481 CH2 TRP A 82 2.471 3.411 -2.905 1.00 21.24 C ATOM 0 H TRP A 82 1.560 9.473 1.593 1.00 2.44 H new ATOM 0 HA TRP A 82 2.257 8.742 -1.196 1.00 71.44 H new ATOM 0 HB2 TRP A 82 0.060 7.792 0.658 1.00 1.30 H new ATOM 0 HB3 TRP A 82 -0.071 7.643 -1.084 1.00 1.30 H new ATOM 0 HD1 TRP A 82 2.118 6.359 1.852 1.00 4.21 H new ATOM 0 HE1 TRP A 82 3.258 4.145 1.152 1.00 0.34 H new ATOM 0 HE3 TRP A 82 0.660 6.287 -3.042 1.00 34.10 H new ATOM 0 HZ2 TRP A 82 3.482 2.613 -1.200 1.00 32.11 H new ATOM 0 HZ3 TRP A 82 1.382 4.411 -4.463 1.00 51.42 H new ATOM 0 HH2 TRP A 82 2.772 2.599 -3.550 1.00 21.24 H new ATOM 1492 N SER A 83 0.607 10.336 -2.211 1.00 0.45 N ATOM 1493 CA SER A 83 -0.154 11.436 -2.799 1.00 45.33 C ATOM 1494 C SER A 83 -0.649 11.057 -4.189 1.00 14.00 C ATOM 1495 O SER A 83 0.147 10.749 -5.078 1.00 21.33 O ATOM 1496 CB SER A 83 0.697 12.714 -2.869 1.00 45.54 C ATOM 1497 OG SER A 83 2.075 12.422 -3.065 1.00 64.21 O ATOM 0 H SER A 83 1.084 9.747 -2.894 1.00 0.45 H new ATOM 0 HA SER A 83 -1.016 11.632 -2.161 1.00 45.33 H new ATOM 0 HB2 SER A 83 0.340 13.344 -3.683 1.00 45.54 H new ATOM 0 HB3 SER A 83 0.574 13.283 -1.948 1.00 45.54 H new ATOM 0 HG SER A 83 2.584 13.258 -3.106 1.00 64.21 H new ATOM 1503 N LEU A 84 -1.967 11.068 -4.366 1.00 31.40 N ATOM 1504 CA LEU A 84 -2.567 10.711 -5.643 1.00 34.22 C ATOM 1505 C LEU A 84 -2.623 11.907 -6.588 1.00 61.13 C ATOM 1506 O LEU A 84 -3.019 13.008 -6.201 1.00 43.23 O ATOM 1507 CB LEU A 84 -3.973 10.144 -5.422 1.00 23.12 C ATOM 1508 CG LEU A 84 -4.914 10.211 -6.628 1.00 1.51 C ATOM 1509 CD1 LEU A 84 -4.737 8.991 -7.524 1.00 32.23 C ATOM 1510 CD2 LEU A 84 -6.350 10.328 -6.152 1.00 4.53 C ATOM 0 H LEU A 84 -2.638 11.320 -3.640 1.00 31.40 H new ATOM 0 HA LEU A 84 -1.941 9.949 -6.108 1.00 34.22 H new ATOM 0 HB2 LEU A 84 -3.880 9.102 -5.114 1.00 23.12 H new ATOM 0 HB3 LEU A 84 -4.435 10.681 -4.594 1.00 23.12 H new ATOM 0 HG LEU A 84 -4.666 11.093 -7.218 1.00 1.51 H new ATOM 0 HD11 LEU A 84 -5.416 9.062 -8.374 1.00 32.23 H new ATOM 0 HD12 LEU A 84 -3.709 8.950 -7.884 1.00 32.23 H new ATOM 0 HD13 LEU A 84 -4.959 8.087 -6.956 1.00 32.23 H new ATOM 0 HD21 LEU A 84 -7.016 10.375 -7.013 1.00 4.53 H new ATOM 0 HD22 LEU A 84 -6.604 9.459 -5.544 1.00 4.53 H new ATOM 0 HD23 LEU A 84 -6.463 11.233 -5.556 1.00 4.53 H new ATOM 1522 N GLU A 85 -2.246 11.658 -7.837 1.00 64.11 N ATOM 1523 CA GLU A 85 -2.265 12.678 -8.880 1.00 75.32 C ATOM 1524 C GLU A 85 -2.858 12.085 -10.147 1.00 62.42 C ATOM 1525 O GLU A 85 -2.451 11.005 -10.581 1.00 4.22 O ATOM 1526 CB GLU A 85 -0.860 13.209 -9.164 1.00 42.01 C ATOM 1527 CG GLU A 85 -0.210 13.899 -7.976 1.00 31.23 C ATOM 1528 CD GLU A 85 1.273 14.136 -8.184 1.00 52.24 C ATOM 1529 OE1 GLU A 85 1.636 15.197 -8.731 1.00 72.51 O ATOM 1530 OE2 GLU A 85 2.070 13.255 -7.806 1.00 22.42 O ATOM 0 H GLU A 85 -1.919 10.746 -8.155 1.00 64.11 H new ATOM 0 HA GLU A 85 -2.875 13.514 -8.537 1.00 75.32 H new ATOM 0 HB2 GLU A 85 -0.227 12.381 -9.482 1.00 42.01 H new ATOM 0 HB3 GLU A 85 -0.909 13.910 -9.997 1.00 42.01 H new ATOM 0 HG2 GLU A 85 -0.706 14.853 -7.798 1.00 31.23 H new ATOM 0 HG3 GLU A 85 -0.356 13.292 -7.082 1.00 31.23 H new ATOM 1537 N GLY A 86 -3.829 12.778 -10.723 1.00 12.52 N ATOM 1538 CA GLY A 86 -4.474 12.288 -11.922 1.00 64.22 C ATOM 1539 C GLY A 86 -5.234 11.010 -11.668 1.00 60.35 C ATOM 1540 O GLY A 86 -6.322 11.018 -11.090 1.00 22.34 O ATOM 0 H GLY A 86 -4.182 13.672 -10.381 1.00 12.52 H new ATOM 0 HA2 GLY A 86 -5.157 13.047 -12.303 1.00 64.22 H new ATOM 0 HA3 GLY A 86 -3.724 12.117 -12.694 1.00 64.22 H new ATOM 1544 N ASN A 87 -4.646 9.918 -12.103 1.00 1.24 N ATOM 1545 CA ASN A 87 -5.239 8.593 -11.935 1.00 21.44 C ATOM 1546 C ASN A 87 -4.259 7.609 -11.287 1.00 4.41 C ATOM 1547 O ASN A 87 -4.439 6.394 -11.393 1.00 23.54 O ATOM 1548 CB ASN A 87 -5.694 8.055 -13.291 1.00 60.33 C ATOM 1549 CG ASN A 87 -7.205 8.012 -13.425 1.00 23.22 C ATOM 1550 OD1 ASN A 87 -7.823 6.962 -13.246 1.00 61.22 O ATOM 1551 ND2 ASN A 87 -7.810 9.152 -13.743 1.00 63.23 N ATOM 0 H ASN A 87 -3.746 9.914 -12.583 1.00 1.24 H new ATOM 0 HA ASN A 87 -6.097 8.693 -11.270 1.00 21.44 H new ATOM 0 HB2 ASN A 87 -5.280 8.680 -14.083 1.00 60.33 H new ATOM 0 HB3 ASN A 87 -5.292 7.052 -13.433 1.00 60.33 H new ATOM 0 HD21 ASN A 87 -8.824 9.179 -13.847 1.00 63.23 H new ATOM 0 HD22 ASN A 87 -7.260 10.000 -13.883 1.00 63.23 H new ATOM 1558 N LYS A 88 -3.217 8.125 -10.630 1.00 64.32 N ATOM 1559 CA LYS A 88 -2.217 7.256 -9.997 1.00 52.43 C ATOM 1560 C LYS A 88 -1.816 7.740 -8.603 1.00 52.45 C ATOM 1561 O LYS A 88 -1.763 8.944 -8.340 1.00 52.42 O ATOM 1562 CB LYS A 88 -0.973 7.158 -10.885 1.00 32.32 C ATOM 1563 CG LYS A 88 -0.648 5.738 -11.320 1.00 55.01 C ATOM 1564 CD LYS A 88 0.064 5.713 -12.664 1.00 71.31 C ATOM 1565 CE LYS A 88 0.322 4.288 -13.132 1.00 53.02 C ATOM 1566 NZ LYS A 88 -0.937 3.586 -13.513 1.00 72.34 N ATOM 0 H LYS A 88 -3.043 9.124 -10.522 1.00 64.32 H new ATOM 0 HA LYS A 88 -2.675 6.274 -9.881 1.00 52.43 H new ATOM 0 HB2 LYS A 88 -1.119 7.776 -11.771 1.00 32.32 H new ATOM 0 HB3 LYS A 88 -0.119 7.569 -10.347 1.00 32.32 H new ATOM 0 HG2 LYS A 88 -0.021 5.261 -10.567 1.00 55.01 H new ATOM 0 HG3 LYS A 88 -1.568 5.157 -11.384 1.00 55.01 H new ATOM 0 HD2 LYS A 88 -0.538 6.237 -13.406 1.00 71.31 H new ATOM 0 HD3 LYS A 88 1.010 6.248 -12.586 1.00 71.31 H new ATOM 0 HE2 LYS A 88 1.000 4.304 -13.985 1.00 53.02 H new ATOM 0 HE3 LYS A 88 0.821 3.731 -12.339 1.00 53.02 H new ATOM 0 HZ1 LYS A 88 -0.715 2.798 -14.154 1.00 72.34 H new ATOM 0 HZ2 LYS A 88 -1.401 3.217 -12.659 1.00 72.34 H new ATOM 0 HZ3 LYS A 88 -1.575 4.253 -13.993 1.00 72.34 H new ATOM 1580 N LEU A 89 -1.516 6.782 -7.717 1.00 61.13 N ATOM 1581 CA LEU A 89 -1.100 7.096 -6.352 1.00 43.02 C ATOM 1582 C LEU A 89 0.416 7.068 -6.224 1.00 44.33 C ATOM 1583 O LEU A 89 1.057 6.043 -6.482 1.00 32.12 O ATOM 1584 CB LEU A 89 -1.733 6.135 -5.345 1.00 42.03 C ATOM 1585 CG LEU A 89 -2.635 6.826 -4.330 1.00 14.45 C ATOM 1586 CD1 LEU A 89 -3.895 6.023 -4.080 1.00 0.51 C ATOM 1587 CD2 LEU A 89 -1.899 7.091 -3.027 1.00 0.44 C ATOM 0 H LEU A 89 -1.555 5.784 -7.925 1.00 61.13 H new ATOM 0 HA LEU A 89 -1.448 8.104 -6.128 1.00 43.02 H new ATOM 0 HB2 LEU A 89 -2.313 5.386 -5.884 1.00 42.03 H new ATOM 0 HB3 LEU A 89 -0.942 5.604 -4.815 1.00 42.03 H new ATOM 0 HG LEU A 89 -2.926 7.788 -4.753 1.00 14.45 H new ATOM 0 HD11 LEU A 89 -4.518 6.541 -3.351 1.00 0.51 H new ATOM 0 HD12 LEU A 89 -4.446 5.910 -5.014 1.00 0.51 H new ATOM 0 HD13 LEU A 89 -3.629 5.039 -3.695 1.00 0.51 H new ATOM 0 HD21 LEU A 89 -2.570 7.585 -2.324 1.00 0.44 H new ATOM 0 HD22 LEU A 89 -1.560 6.146 -2.602 1.00 0.44 H new ATOM 0 HD23 LEU A 89 -1.039 7.732 -3.219 1.00 0.44 H new ATOM 1599 N ILE A 90 0.973 8.212 -5.841 1.00 20.31 N ATOM 1600 CA ILE A 90 2.414 8.370 -5.695 1.00 1.33 C ATOM 1601 C ILE A 90 2.882 8.187 -4.253 1.00 73.44 C ATOM 1602 O ILE A 90 2.433 8.893 -3.354 1.00 20.44 O ATOM 1603 CB ILE A 90 2.849 9.772 -6.167 1.00 4.10 C ATOM 1604 CG1 ILE A 90 2.299 10.072 -7.569 1.00 51.03 C ATOM 1605 CG2 ILE A 90 4.369 9.896 -6.150 1.00 1.00 C ATOM 1606 CD1 ILE A 90 2.423 8.915 -8.542 1.00 22.33 C ATOM 0 H ILE A 90 0.439 9.053 -5.624 1.00 20.31 H new ATOM 0 HA ILE A 90 2.871 7.593 -6.309 1.00 1.33 H new ATOM 0 HB ILE A 90 2.435 10.506 -5.476 1.00 4.10 H new ATOM 0 HG12 ILE A 90 1.249 10.351 -7.484 1.00 51.03 H new ATOM 0 HG13 ILE A 90 2.825 10.935 -7.977 1.00 51.03 H new ATOM 0 HG21 ILE A 90 4.657 10.892 -6.486 1.00 1.00 H new ATOM 0 HG22 ILE A 90 4.736 9.735 -5.136 1.00 1.00 H new ATOM 0 HG23 ILE A 90 4.802 9.149 -6.815 1.00 1.00 H new ATOM 0 HD11 ILE A 90 2.012 9.207 -9.509 1.00 22.33 H new ATOM 0 HD12 ILE A 90 3.474 8.649 -8.659 1.00 22.33 H new ATOM 0 HD13 ILE A 90 1.872 8.056 -8.158 1.00 22.33 H new ATOM 1618 N GLY A 91 3.820 7.264 -4.055 1.00 11.44 N ATOM 1619 CA GLY A 91 4.384 7.029 -2.740 1.00 34.30 C ATOM 1620 C GLY A 91 5.865 7.344 -2.747 1.00 1.33 C ATOM 1621 O GLY A 91 6.626 6.718 -3.487 1.00 53.25 O ATOM 0 H GLY A 91 4.201 6.670 -4.791 1.00 11.44 H new ATOM 0 HA2 GLY A 91 3.876 7.649 -2.001 1.00 34.30 H new ATOM 0 HA3 GLY A 91 4.226 5.991 -2.448 1.00 34.30 H new ATOM 1625 N LYS A 92 6.277 8.339 -1.967 1.00 23.42 N ATOM 1626 CA LYS A 92 7.679 8.745 -1.946 1.00 62.21 C ATOM 1627 C LYS A 92 8.241 8.866 -0.535 1.00 60.24 C ATOM 1628 O LYS A 92 7.639 9.496 0.334 1.00 45.22 O ATOM 1629 CB LYS A 92 7.837 10.080 -2.672 1.00 51.24 C ATOM 1630 CG LYS A 92 8.405 9.945 -4.071 1.00 23.40 C ATOM 1631 CD LYS A 92 7.856 11.015 -5.006 1.00 20.43 C ATOM 1632 CE LYS A 92 8.936 11.999 -5.434 1.00 73.31 C ATOM 1633 NZ LYS A 92 9.602 12.642 -4.266 1.00 21.42 N ATOM 0 H LYS A 92 5.668 8.874 -1.348 1.00 23.42 H new ATOM 0 HA LYS A 92 8.245 7.963 -2.452 1.00 62.21 H new ATOM 0 HB2 LYS A 92 6.865 10.571 -2.729 1.00 51.24 H new ATOM 0 HB3 LYS A 92 8.488 10.729 -2.085 1.00 51.24 H new ATOM 0 HG2 LYS A 92 9.492 10.019 -4.031 1.00 23.40 H new ATOM 0 HG3 LYS A 92 8.167 8.958 -4.467 1.00 23.40 H new ATOM 0 HD2 LYS A 92 7.426 10.541 -5.888 1.00 20.43 H new ATOM 0 HD3 LYS A 92 7.050 11.554 -4.508 1.00 20.43 H new ATOM 0 HE2 LYS A 92 9.682 11.479 -6.035 1.00 73.31 H new ATOM 0 HE3 LYS A 92 8.495 12.768 -6.068 1.00 73.31 H new ATOM 0 HZ1 LYS A 92 9.497 13.675 -4.332 1.00 21.42 H new ATOM 0 HZ2 LYS A 92 9.162 12.305 -3.386 1.00 21.42 H new ATOM 0 HZ3 LYS A 92 10.612 12.396 -4.264 1.00 21.42 H new ATOM 1647 N PHE A 93 9.425 8.283 -0.340 1.00 55.42 N ATOM 1648 CA PHE A 93 10.132 8.333 0.940 1.00 52.52 C ATOM 1649 C PHE A 93 11.629 8.481 0.674 1.00 0.02 C ATOM 1650 O PHE A 93 12.137 7.930 -0.307 1.00 21.33 O ATOM 1651 CB PHE A 93 9.867 7.073 1.775 1.00 22.45 C ATOM 1652 CG PHE A 93 8.444 6.938 2.238 1.00 11.02 C ATOM 1653 CD1 PHE A 93 7.444 6.559 1.356 1.00 61.11 C ATOM 1654 CD2 PHE A 93 8.107 7.188 3.558 1.00 4.00 C ATOM 1655 CE1 PHE A 93 6.136 6.433 1.781 1.00 3.31 C ATOM 1656 CE2 PHE A 93 6.800 7.063 3.989 1.00 14.40 C ATOM 1657 CZ PHE A 93 5.814 6.684 3.099 1.00 43.22 C ATOM 0 H PHE A 93 9.920 7.763 -1.065 1.00 55.42 H new ATOM 0 HA PHE A 93 9.767 9.188 1.509 1.00 52.52 H new ATOM 0 HB2 PHE A 93 10.132 6.196 1.185 1.00 22.45 H new ATOM 0 HB3 PHE A 93 10.523 7.081 2.646 1.00 22.45 H new ATOM 0 HD1 PHE A 93 7.691 6.360 0.324 1.00 61.11 H new ATOM 0 HD2 PHE A 93 8.874 7.484 4.258 1.00 4.00 H new ATOM 0 HE1 PHE A 93 5.366 6.138 1.083 1.00 3.31 H new ATOM 0 HE2 PHE A 93 6.550 7.261 5.021 1.00 14.40 H new ATOM 0 HZ PHE A 93 4.792 6.584 3.434 1.00 43.22 H new ATOM 1667 N LYS A 94 12.333 9.246 1.511 1.00 20.41 N ATOM 1668 CA LYS A 94 13.769 9.461 1.286 1.00 73.43 C ATOM 1669 C LYS A 94 14.615 9.335 2.555 1.00 0.35 C ATOM 1670 O LYS A 94 14.224 9.800 3.628 1.00 11.12 O ATOM 1671 CB LYS A 94 13.992 10.839 0.657 1.00 3.53 C ATOM 1672 CG LYS A 94 12.904 11.236 -0.330 1.00 3.51 C ATOM 1673 CD LYS A 94 13.337 12.395 -1.208 1.00 21.40 C ATOM 1674 CE LYS A 94 12.854 13.725 -0.655 1.00 74.22 C ATOM 1675 NZ LYS A 94 13.347 14.871 -1.465 1.00 44.32 N ATOM 0 H LYS A 94 11.948 9.717 2.330 1.00 20.41 H new ATOM 0 HA LYS A 94 14.098 8.670 0.612 1.00 73.43 H new ATOM 0 HB2 LYS A 94 14.045 11.587 1.448 1.00 3.53 H new ATOM 0 HB3 LYS A 94 14.955 10.846 0.147 1.00 3.53 H new ATOM 0 HG2 LYS A 94 12.651 10.380 -0.956 1.00 3.51 H new ATOM 0 HG3 LYS A 94 12.001 11.510 0.215 1.00 3.51 H new ATOM 0 HD2 LYS A 94 14.424 12.406 -1.287 1.00 21.40 H new ATOM 0 HD3 LYS A 94 12.945 12.255 -2.216 1.00 21.40 H new ATOM 0 HE2 LYS A 94 11.764 13.736 -0.635 1.00 74.22 H new ATOM 0 HE3 LYS A 94 13.193 13.835 0.375 1.00 74.22 H new ATOM 0 HZ1 LYS A 94 12.997 15.761 -1.057 1.00 44.32 H new ATOM 0 HZ2 LYS A 94 14.387 14.875 -1.464 1.00 44.32 H new ATOM 0 HZ3 LYS A 94 13.002 14.779 -2.442 1.00 44.32 H new ATOM 1689 N ARG A 95 15.796 8.714 2.405 1.00 20.31 N ATOM 1690 CA ARG A 95 16.736 8.534 3.518 1.00 34.34 C ATOM 1691 C ARG A 95 17.241 9.885 4.033 1.00 4.43 C ATOM 1692 O ARG A 95 17.362 10.845 3.268 1.00 43.14 O ATOM 1693 CB ARG A 95 17.928 7.690 3.062 1.00 61.13 C ATOM 1694 CG ARG A 95 17.608 6.213 2.931 1.00 63.13 C ATOM 1695 CD ARG A 95 18.581 5.502 2.005 1.00 21.50 C ATOM 1696 NE ARG A 95 19.163 4.315 2.628 1.00 13.12 N ATOM 1697 CZ ARG A 95 20.234 4.339 3.426 1.00 2.33 C ATOM 1698 NH1 ARG A 95 20.834 5.494 3.717 1.00 45.44 N ATOM 1699 NH2 ARG A 95 20.704 3.206 3.937 1.00 1.10 N ATOM 0 H ARG A 95 16.122 8.327 1.519 1.00 20.31 H new ATOM 0 HA ARG A 95 16.210 8.025 4.326 1.00 34.34 H new ATOM 0 HB2 ARG A 95 18.281 8.064 2.101 1.00 61.13 H new ATOM 0 HB3 ARG A 95 18.745 7.815 3.773 1.00 61.13 H new ATOM 0 HG2 ARG A 95 17.637 5.747 3.916 1.00 63.13 H new ATOM 0 HG3 ARG A 95 16.593 6.094 2.552 1.00 63.13 H new ATOM 0 HD2 ARG A 95 18.065 5.214 1.089 1.00 21.50 H new ATOM 0 HD3 ARG A 95 19.378 6.189 1.720 1.00 21.50 H new ATOM 0 HE ARG A 95 18.725 3.413 2.442 1.00 13.12 H new ATOM 0 HH11 ARG A 95 20.475 6.367 3.329 1.00 45.44 H new ATOM 0 HH12 ARG A 95 21.651 5.505 4.327 1.00 45.44 H new ATOM 0 HH21 ARG A 95 20.247 2.320 3.720 1.00 1.10 H new ATOM 0 HH22 ARG A 95 21.522 3.222 4.547 1.00 1.10 H new ATOM 1713 N THR A 96 17.540 9.951 5.332 1.00 12.42 N ATOM 1714 CA THR A 96 18.034 11.185 5.949 1.00 71.44 C ATOM 1715 C THR A 96 19.562 11.322 5.839 1.00 43.04 C ATOM 1716 O THR A 96 20.127 12.323 6.287 1.00 55.51 O ATOM 1717 CB THR A 96 17.605 11.250 7.422 1.00 14.53 C ATOM 1718 OG1 THR A 96 17.938 12.505 7.997 1.00 23.42 O ATOM 1719 CG2 THR A 96 18.228 10.168 8.282 1.00 13.31 C ATOM 0 H THR A 96 17.449 9.166 5.977 1.00 12.42 H new ATOM 0 HA THR A 96 17.592 12.018 5.402 1.00 71.44 H new ATOM 0 HB THR A 96 16.525 11.101 7.407 1.00 14.53 H new ATOM 0 HG1 THR A 96 18.690 12.900 7.508 1.00 23.42 H new ATOM 0 HG21 THR A 96 17.881 10.275 9.310 1.00 13.31 H new ATOM 0 HG22 THR A 96 17.938 9.189 7.901 1.00 13.31 H new ATOM 0 HG23 THR A 96 19.314 10.261 8.254 1.00 13.31 H new ATOM 1727 N ASP A 97 20.229 10.326 5.251 1.00 52.55 N ATOM 1728 CA ASP A 97 21.683 10.365 5.104 1.00 20.54 C ATOM 1729 C ASP A 97 22.082 11.132 3.847 1.00 75.24 C ATOM 1730 O ASP A 97 22.671 12.211 3.931 1.00 61.44 O ATOM 1731 CB ASP A 97 22.258 8.946 5.054 1.00 0.20 C ATOM 1732 CG ASP A 97 22.479 8.343 6.431 1.00 24.51 C ATOM 1733 OD1 ASP A 97 22.899 9.079 7.351 1.00 60.22 O ATOM 1734 OD2 ASP A 97 22.237 7.127 6.588 1.00 61.23 O ATOM 0 H ASP A 97 19.788 9.488 4.872 1.00 52.55 H new ATOM 0 HA ASP A 97 22.093 10.882 5.972 1.00 20.54 H new ATOM 0 HB2 ASP A 97 21.581 8.306 4.488 1.00 0.20 H new ATOM 0 HB3 ASP A 97 23.205 8.963 4.515 1.00 0.20 H new ATOM 1739 N ASN A 98 21.760 10.569 2.682 1.00 54.01 N ATOM 1740 CA ASN A 98 22.089 11.204 1.405 1.00 64.15 C ATOM 1741 C ASN A 98 20.833 11.677 0.666 1.00 33.43 C ATOM 1742 O ASN A 98 20.936 12.415 -0.315 1.00 60.31 O ATOM 1743 CB ASN A 98 22.883 10.247 0.499 1.00 55.15 C ATOM 1744 CG ASN A 98 23.450 9.045 1.237 1.00 41.12 C ATOM 1745 OD1 ASN A 98 24.456 9.151 1.939 1.00 42.33 O ATOM 1746 ND2 ASN A 98 22.807 7.894 1.078 1.00 12.13 N ATOM 0 H ASN A 98 21.273 9.677 2.596 1.00 54.01 H new ATOM 0 HA ASN A 98 22.704 12.074 1.636 1.00 64.15 H new ATOM 0 HB2 ASN A 98 22.234 9.898 -0.304 1.00 55.15 H new ATOM 0 HB3 ASN A 98 23.701 10.796 0.032 1.00 55.15 H new ATOM 0 HD21 ASN A 98 23.143 7.053 1.547 1.00 12.13 H new ATOM 0 HD22 ASN A 98 21.977 7.851 0.487 1.00 12.13 H new ATOM 1753 N GLY A 99 19.650 11.249 1.124 1.00 14.42 N ATOM 1754 CA GLY A 99 18.421 11.649 0.463 1.00 60.44 C ATOM 1755 C GLY A 99 18.025 10.688 -0.642 1.00 33.13 C ATOM 1756 O GLY A 99 17.522 11.115 -1.681 1.00 20.23 O ATOM 0 H GLY A 99 19.527 10.639 1.932 1.00 14.42 H new ATOM 0 HA2 GLY A 99 17.618 11.706 1.197 1.00 60.44 H new ATOM 0 HA3 GLY A 99 18.544 12.649 0.046 1.00 60.44 H new ATOM 1760 N ASN A 100 18.268 9.388 -0.429 1.00 74.43 N ATOM 1761 CA ASN A 100 17.941 8.374 -1.432 1.00 44.31 C ATOM 1762 C ASN A 100 16.450 8.367 -1.731 1.00 43.34 C ATOM 1763 O ASN A 100 15.636 7.986 -0.886 1.00 1.23 O ATOM 1764 CB ASN A 100 18.378 6.984 -0.973 1.00 32.25 C ATOM 1765 CG ASN A 100 19.832 6.943 -0.543 1.00 2.45 C ATOM 1766 OD1 ASN A 100 20.248 7.687 0.346 1.00 53.33 O ATOM 1767 ND2 ASN A 100 20.614 6.073 -1.170 1.00 24.11 N ATOM 0 H ASN A 100 18.687 9.018 0.424 1.00 74.43 H new ATOM 0 HA ASN A 100 18.484 8.629 -2.342 1.00 44.31 H new ATOM 0 HB2 ASN A 100 17.748 6.665 -0.143 1.00 32.25 H new ATOM 0 HB3 ASN A 100 18.222 6.272 -1.783 1.00 32.25 H new ATOM 0 HD21 ASN A 100 21.601 6.002 -0.921 1.00 24.11 H new ATOM 0 HD22 ASN A 100 20.228 5.475 -1.901 1.00 24.11 H new ATOM 1774 N GLU A 101 16.104 8.808 -2.933 1.00 22.52 N ATOM 1775 CA GLU A 101 14.723 8.881 -3.365 1.00 32.12 C ATOM 1776 C GLU A 101 14.171 7.522 -3.766 1.00 22.24 C ATOM 1777 O GLU A 101 14.569 6.956 -4.786 1.00 42.32 O ATOM 1778 CB GLU A 101 14.597 9.837 -4.549 1.00 2.45 C ATOM 1779 CG GLU A 101 13.549 10.901 -4.339 1.00 1.02 C ATOM 1780 CD GLU A 101 12.150 10.326 -4.202 1.00 13.44 C ATOM 1781 OE1 GLU A 101 11.508 10.071 -5.242 1.00 64.13 O ATOM 1782 OE2 GLU A 101 11.696 10.130 -3.056 1.00 74.23 O ATOM 0 H GLU A 101 16.776 9.124 -3.633 1.00 22.52 H new ATOM 0 HA GLU A 101 14.142 9.245 -2.517 1.00 32.12 H new ATOM 0 HB2 GLU A 101 15.561 10.314 -4.728 1.00 2.45 H new ATOM 0 HB3 GLU A 101 14.353 9.266 -5.445 1.00 2.45 H new ATOM 0 HG2 GLU A 101 13.792 11.473 -3.443 1.00 1.02 H new ATOM 0 HG3 GLU A 101 13.571 11.597 -5.177 1.00 1.02 H new ATOM 1789 N LEU A 102 13.213 7.030 -2.990 1.00 41.21 N ATOM 1790 CA LEU A 102 12.563 5.769 -3.305 1.00 2.00 C ATOM 1791 C LEU A 102 11.195 6.063 -3.879 1.00 35.24 C ATOM 1792 O LEU A 102 10.551 7.043 -3.492 1.00 65.52 O ATOM 1793 CB LEU A 102 12.418 4.868 -2.082 1.00 20.22 C ATOM 1794 CG LEU A 102 11.901 3.455 -2.387 1.00 63.55 C ATOM 1795 CD1 LEU A 102 13.044 2.535 -2.791 1.00 24.43 C ATOM 1796 CD2 LEU A 102 11.150 2.888 -1.194 1.00 61.14 C ATOM 0 H LEU A 102 12.872 7.484 -2.143 1.00 41.21 H new ATOM 0 HA LEU A 102 13.185 5.237 -4.025 1.00 2.00 H new ATOM 0 HB2 LEU A 102 13.387 4.788 -1.589 1.00 20.22 H new ATOM 0 HB3 LEU A 102 11.739 5.344 -1.375 1.00 20.22 H new ATOM 0 HG LEU A 102 11.208 3.522 -3.226 1.00 63.55 H new ATOM 0 HD11 LEU A 102 12.653 1.540 -3.002 1.00 24.43 H new ATOM 0 HD12 LEU A 102 13.531 2.930 -3.682 1.00 24.43 H new ATOM 0 HD13 LEU A 102 13.768 2.475 -1.978 1.00 24.43 H new ATOM 0 HD21 LEU A 102 10.792 1.886 -1.432 1.00 61.14 H new ATOM 0 HD22 LEU A 102 11.817 2.840 -0.333 1.00 61.14 H new ATOM 0 HD23 LEU A 102 10.301 3.530 -0.960 1.00 61.14 H new ATOM 1808 N ASN A 103 10.756 5.235 -4.810 1.00 22.34 N ATOM 1809 CA ASN A 103 9.466 5.449 -5.436 1.00 0.05 C ATOM 1810 C ASN A 103 8.572 4.225 -5.294 1.00 32.40 C ATOM 1811 O ASN A 103 9.003 3.100 -5.545 1.00 33.12 O ATOM 1812 CB ASN A 103 9.637 5.822 -6.917 1.00 52.15 C ATOM 1813 CG ASN A 103 11.086 6.114 -7.287 1.00 74.21 C ATOM 1814 OD1 ASN A 103 11.686 5.409 -8.098 1.00 52.44 O ATOM 1815 ND2 ASN A 103 11.658 7.154 -6.687 1.00 22.52 N ATOM 0 H ASN A 103 11.267 4.418 -5.145 1.00 22.34 H new ATOM 0 HA ASN A 103 8.981 6.279 -4.922 1.00 0.05 H new ATOM 0 HB2 ASN A 103 9.265 5.007 -7.538 1.00 52.15 H new ATOM 0 HB3 ASN A 103 9.026 6.697 -7.140 1.00 52.15 H new ATOM 0 HD21 ASN A 103 12.628 7.392 -6.893 1.00 22.52 H new ATOM 0 HD22 ASN A 103 11.126 7.714 -6.020 1.00 22.52 H new ATOM 1822 N THR A 104 7.325 4.453 -4.885 1.00 21.42 N ATOM 1823 CA THR A 104 6.369 3.365 -4.706 1.00 25.23 C ATOM 1824 C THR A 104 4.977 3.760 -5.189 1.00 51.23 C ATOM 1825 O THR A 104 4.422 4.769 -4.758 1.00 61.42 O ATOM 1826 CB THR A 104 6.315 2.931 -3.236 1.00 42.52 C ATOM 1827 OG1 THR A 104 5.270 1.999 -3.020 1.00 23.22 O ATOM 1828 CG2 THR A 104 6.111 4.073 -2.265 1.00 24.22 C ATOM 0 H THR A 104 6.955 5.379 -4.672 1.00 21.42 H new ATOM 0 HA THR A 104 6.710 2.525 -5.311 1.00 25.23 H new ATOM 0 HB THR A 104 7.292 2.487 -3.044 1.00 42.52 H new ATOM 0 HG1 THR A 104 4.434 2.480 -2.845 1.00 23.22 H new ATOM 0 HG21 THR A 104 6.084 3.685 -1.247 1.00 24.22 H new ATOM 0 HG22 THR A 104 6.932 4.783 -2.361 1.00 24.22 H new ATOM 0 HG23 THR A 104 5.169 4.575 -2.487 1.00 24.22 H new ATOM 1836 N VAL A 105 4.421 2.948 -6.082 1.00 20.15 N ATOM 1837 CA VAL A 105 3.080 3.196 -6.628 1.00 20.20 C ATOM 1838 C VAL A 105 2.104 2.110 -6.170 1.00 42.35 C ATOM 1839 O VAL A 105 2.483 0.941 -6.062 1.00 42.25 O ATOM 1840 CB VAL A 105 3.097 3.248 -8.173 1.00 0.21 C ATOM 1841 CG1 VAL A 105 1.790 3.818 -8.710 1.00 73.52 C ATOM 1842 CG2 VAL A 105 4.281 4.065 -8.672 1.00 34.11 C ATOM 0 H VAL A 105 4.874 2.110 -6.447 1.00 20.15 H new ATOM 0 HA VAL A 105 2.752 4.165 -6.251 1.00 20.20 H new ATOM 0 HB VAL A 105 3.203 2.229 -8.544 1.00 0.21 H new ATOM 0 HG11 VAL A 105 1.825 3.845 -9.799 1.00 73.52 H new ATOM 0 HG12 VAL A 105 0.960 3.189 -8.389 1.00 73.52 H new ATOM 0 HG13 VAL A 105 1.649 4.828 -8.326 1.00 73.52 H new ATOM 0 HG21 VAL A 105 4.273 4.088 -9.762 1.00 34.11 H new ATOM 0 HG22 VAL A 105 4.209 5.082 -8.287 1.00 34.11 H new ATOM 0 HG23 VAL A 105 5.209 3.610 -8.325 1.00 34.11 H new ATOM 1852 N ARG A 106 0.850 2.489 -5.884 1.00 13.20 N ATOM 1853 CA ARG A 106 -0.141 1.507 -5.425 1.00 34.51 C ATOM 1854 C ARG A 106 -1.319 1.389 -6.389 1.00 60.22 C ATOM 1855 O ARG A 106 -2.011 2.374 -6.653 1.00 12.12 O ATOM 1856 CB ARG A 106 -0.654 1.879 -4.032 1.00 32.31 C ATOM 1857 CG ARG A 106 -0.496 0.767 -3.010 1.00 51.51 C ATOM 1858 CD ARG A 106 -1.502 0.901 -1.879 1.00 54.04 C ATOM 1859 NE ARG A 106 -0.855 1.263 -0.619 1.00 40.21 N ATOM 1860 CZ ARG A 106 -0.517 2.510 -0.285 1.00 73.12 C ATOM 1861 NH1 ARG A 106 -0.795 3.524 -1.098 1.00 4.01 N ATOM 1862 NH2 ARG A 106 0.098 2.745 0.869 1.00 12.20 N ATOM 0 H ARG A 106 0.504 3.446 -5.960 1.00 13.20 H new ATOM 0 HA ARG A 106 0.360 0.540 -5.386 1.00 34.51 H new ATOM 0 HB2 ARG A 106 -0.120 2.762 -3.681 1.00 32.31 H new ATOM 0 HB3 ARG A 106 -1.707 2.150 -4.102 1.00 32.31 H new ATOM 0 HG2 ARG A 106 -0.624 -0.199 -3.499 1.00 51.51 H new ATOM 0 HG3 ARG A 106 0.515 0.787 -2.603 1.00 51.51 H new ATOM 0 HD2 ARG A 106 -2.242 1.658 -2.138 1.00 54.04 H new ATOM 0 HD3 ARG A 106 -2.038 -0.040 -1.755 1.00 54.04 H new ATOM 0 HE ARG A 106 -0.649 0.517 0.045 1.00 40.21 H new ATOM 0 HH11 ARG A 106 -1.270 3.352 -1.984 1.00 4.01 H new ATOM 0 HH12 ARG A 106 -0.534 4.474 -0.836 1.00 4.01 H new ATOM 0 HH21 ARG A 106 0.312 1.972 1.500 1.00 12.20 H new ATOM 0 HH22 ARG A 106 0.356 3.698 1.124 1.00 12.20 H new ATOM 1876 N GLU A 107 -1.559 0.173 -6.895 1.00 44.54 N ATOM 1877 CA GLU A 107 -2.674 -0.068 -7.813 1.00 24.13 C ATOM 1878 C GLU A 107 -3.321 -1.423 -7.531 1.00 22.43 C ATOM 1879 O GLU A 107 -2.837 -2.184 -6.691 1.00 22.14 O ATOM 1880 CB GLU A 107 -2.192 -0.009 -9.267 1.00 31.42 C ATOM 1881 CG GLU A 107 -3.276 0.407 -10.253 1.00 32.33 C ATOM 1882 CD GLU A 107 -3.032 1.781 -10.846 1.00 55.31 C ATOM 1883 OE1 GLU A 107 -2.069 1.929 -11.627 1.00 4.10 O ATOM 1884 OE2 GLU A 107 -3.802 2.710 -10.528 1.00 42.53 O ATOM 0 H GLU A 107 -0.999 -0.653 -6.685 1.00 44.54 H new ATOM 0 HA GLU A 107 -3.419 0.712 -7.657 1.00 24.13 H new ATOM 0 HB2 GLU A 107 -1.360 0.692 -9.337 1.00 31.42 H new ATOM 0 HB3 GLU A 107 -1.808 -0.988 -9.554 1.00 31.42 H new ATOM 0 HG2 GLU A 107 -3.331 -0.327 -11.057 1.00 32.33 H new ATOM 0 HG3 GLU A 107 -4.242 0.400 -9.749 1.00 32.33 H new ATOM 1891 N ILE A 108 -4.412 -1.727 -8.234 1.00 13.10 N ATOM 1892 CA ILE A 108 -5.093 -2.998 -8.049 1.00 44.22 C ATOM 1893 C ILE A 108 -5.485 -3.626 -9.385 1.00 5.23 C ATOM 1894 O ILE A 108 -6.109 -2.984 -10.236 1.00 41.25 O ATOM 1895 CB ILE A 108 -6.341 -2.878 -7.149 1.00 35.41 C ATOM 1896 CG1 ILE A 108 -6.756 -4.272 -6.687 1.00 34.13 C ATOM 1897 CG2 ILE A 108 -7.484 -2.178 -7.874 1.00 11.13 C ATOM 1898 CD1 ILE A 108 -7.511 -4.282 -5.386 1.00 52.04 C ATOM 0 H ILE A 108 -4.836 -1.113 -8.930 1.00 13.10 H new ATOM 0 HA ILE A 108 -4.376 -3.647 -7.546 1.00 44.22 H new ATOM 0 HB ILE A 108 -6.096 -2.267 -6.280 1.00 35.41 H new ATOM 0 HG12 ILE A 108 -7.374 -4.731 -7.458 1.00 34.13 H new ATOM 0 HG13 ILE A 108 -5.864 -4.890 -6.583 1.00 34.13 H new ATOM 0 HG21 ILE A 108 -8.347 -2.110 -7.212 1.00 11.13 H new ATOM 0 HG22 ILE A 108 -7.170 -1.176 -8.165 1.00 11.13 H new ATOM 0 HG23 ILE A 108 -7.753 -2.747 -8.764 1.00 11.13 H new ATOM 0 HD11 ILE A 108 -7.771 -5.308 -5.124 1.00 52.04 H new ATOM 0 HD12 ILE A 108 -6.888 -3.854 -4.601 1.00 52.04 H new ATOM 0 HD13 ILE A 108 -8.422 -3.692 -5.489 1.00 52.04 H new ATOM 1910 N ILE A 109 -5.123 -4.896 -9.544 1.00 5.03 N ATOM 1911 CA ILE A 109 -5.442 -5.653 -10.755 1.00 60.42 C ATOM 1912 C ILE A 109 -6.336 -6.829 -10.413 1.00 52.15 C ATOM 1913 O ILE A 109 -6.192 -7.433 -9.349 1.00 62.33 O ATOM 1914 CB ILE A 109 -4.190 -6.172 -11.507 1.00 4.41 C ATOM 1915 CG1 ILE A 109 -2.937 -6.078 -10.631 1.00 44.01 C ATOM 1916 CG2 ILE A 109 -4.000 -5.411 -12.812 1.00 51.21 C ATOM 1917 CD1 ILE A 109 -2.299 -4.702 -10.605 1.00 20.33 C ATOM 0 H ILE A 109 -4.605 -5.428 -8.845 1.00 5.03 H new ATOM 0 HA ILE A 109 -5.953 -4.958 -11.421 1.00 60.42 H new ATOM 0 HB ILE A 109 -4.349 -7.225 -11.742 1.00 4.41 H new ATOM 0 HG12 ILE A 109 -3.197 -6.365 -9.612 1.00 44.01 H new ATOM 0 HG13 ILE A 109 -2.203 -6.800 -10.988 1.00 44.01 H new ATOM 0 HG21 ILE A 109 -3.117 -5.788 -13.328 1.00 51.21 H new ATOM 0 HG22 ILE A 109 -4.876 -5.550 -13.445 1.00 51.21 H new ATOM 0 HG23 ILE A 109 -3.871 -4.350 -12.599 1.00 51.21 H new ATOM 0 HD11 ILE A 109 -1.419 -4.721 -9.963 1.00 20.33 H new ATOM 0 HD12 ILE A 109 -2.005 -4.418 -11.615 1.00 20.33 H new ATOM 0 HD13 ILE A 109 -3.015 -3.976 -10.218 1.00 20.33 H new ATOM 1929 N GLY A 110 -7.256 -7.151 -11.315 1.00 40.35 N ATOM 1930 CA GLY A 110 -8.164 -8.258 -11.081 1.00 2.25 C ATOM 1931 C GLY A 110 -8.811 -8.182 -9.718 1.00 53.53 C ATOM 1932 O GLY A 110 -9.640 -7.309 -9.457 1.00 42.33 O ATOM 0 H GLY A 110 -7.389 -6.666 -12.203 1.00 40.35 H new ATOM 0 HA2 GLY A 110 -8.937 -8.261 -11.849 1.00 2.25 H new ATOM 0 HA3 GLY A 110 -7.620 -9.198 -11.172 1.00 2.25 H new ATOM 1936 N ASP A 111 -8.419 -9.102 -8.856 1.00 13.12 N ATOM 1937 CA ASP A 111 -8.941 -9.166 -7.498 1.00 4.21 C ATOM 1938 C ASP A 111 -7.814 -9.221 -6.454 1.00 14.11 C ATOM 1939 O ASP A 111 -8.014 -9.722 -5.345 1.00 4.43 O ATOM 1940 CB ASP A 111 -9.866 -10.376 -7.374 1.00 3.13 C ATOM 1941 CG ASP A 111 -11.282 -9.981 -7.001 1.00 20.42 C ATOM 1942 OD1 ASP A 111 -12.015 -9.499 -7.890 1.00 54.32 O ATOM 1943 OD2 ASP A 111 -11.659 -10.150 -5.821 1.00 22.43 O ATOM 0 H ASP A 111 -7.733 -9.825 -9.074 1.00 13.12 H new ATOM 0 HA ASP A 111 -9.506 -8.256 -7.298 1.00 4.21 H new ATOM 0 HB2 ASP A 111 -9.879 -10.919 -8.319 1.00 3.13 H new ATOM 0 HB3 ASP A 111 -9.471 -11.057 -6.621 1.00 3.13 H new ATOM 1948 N GLU A 112 -6.625 -8.721 -6.819 1.00 11.22 N ATOM 1949 CA GLU A 112 -5.466 -8.729 -5.920 1.00 2.02 C ATOM 1950 C GLU A 112 -4.809 -7.348 -5.844 1.00 34.30 C ATOM 1951 O GLU A 112 -4.771 -6.618 -6.836 1.00 53.14 O ATOM 1952 CB GLU A 112 -4.434 -9.759 -6.395 1.00 62.51 C ATOM 1953 CG GLU A 112 -5.013 -10.852 -7.283 1.00 21.30 C ATOM 1954 CD GLU A 112 -4.419 -10.855 -8.677 1.00 44.23 C ATOM 1955 OE1 GLU A 112 -3.395 -11.538 -8.883 1.00 34.22 O ATOM 1956 OE2 GLU A 112 -4.982 -10.178 -9.563 1.00 53.22 O ATOM 0 H GLU A 112 -6.442 -8.306 -7.732 1.00 11.22 H new ATOM 0 HA GLU A 112 -5.821 -8.998 -4.925 1.00 2.02 H new ATOM 0 HB2 GLU A 112 -3.645 -9.242 -6.941 1.00 62.51 H new ATOM 0 HB3 GLU A 112 -3.969 -10.221 -5.524 1.00 62.51 H new ATOM 0 HG2 GLU A 112 -4.839 -11.822 -6.817 1.00 21.30 H new ATOM 0 HG3 GLU A 112 -6.093 -10.722 -7.354 1.00 21.30 H new ATOM 1963 N LEU A 113 -4.280 -7.000 -4.666 1.00 43.42 N ATOM 1964 CA LEU A 113 -3.617 -5.706 -4.471 1.00 5.40 C ATOM 1965 C LEU A 113 -2.137 -5.785 -4.802 1.00 43.01 C ATOM 1966 O LEU A 113 -1.493 -6.817 -4.594 1.00 2.14 O ATOM 1967 CB LEU A 113 -3.780 -5.209 -3.030 1.00 4.00 C ATOM 1968 CG LEU A 113 -3.240 -3.794 -2.781 1.00 4.02 C ATOM 1969 CD1 LEU A 113 -4.047 -2.763 -3.556 1.00 0.24 C ATOM 1970 CD2 LEU A 113 -3.240 -3.467 -1.298 1.00 24.50 C ATOM 0 H LEU A 113 -4.298 -7.593 -3.837 1.00 43.42 H new ATOM 0 HA LEU A 113 -4.097 -5.002 -5.151 1.00 5.40 H new ATOM 0 HB2 LEU A 113 -4.838 -5.232 -2.768 1.00 4.00 H new ATOM 0 HB3 LEU A 113 -3.271 -5.902 -2.360 1.00 4.00 H new ATOM 0 HG LEU A 113 -2.210 -3.760 -3.137 1.00 4.02 H new ATOM 0 HD11 LEU A 113 -3.646 -1.768 -3.364 1.00 0.24 H new ATOM 0 HD12 LEU A 113 -3.985 -2.979 -4.623 1.00 0.24 H new ATOM 0 HD13 LEU A 113 -5.089 -2.802 -3.238 1.00 0.24 H new ATOM 0 HD21 LEU A 113 -2.853 -2.459 -1.148 1.00 24.50 H new ATOM 0 HD22 LEU A 113 -4.258 -3.526 -0.912 1.00 24.50 H new ATOM 0 HD23 LEU A 113 -2.609 -4.181 -0.768 1.00 24.50 H new ATOM 1982 N VAL A 114 -1.604 -4.681 -5.325 1.00 1.13 N ATOM 1983 CA VAL A 114 -0.211 -4.612 -5.695 1.00 14.23 C ATOM 1984 C VAL A 114 0.440 -3.295 -5.285 1.00 13.24 C ATOM 1985 O VAL A 114 -0.180 -2.229 -5.335 1.00 62.34 O ATOM 1986 CB VAL A 114 -0.038 -4.757 -7.205 1.00 53.42 C ATOM 1987 CG1 VAL A 114 -0.253 -6.194 -7.653 1.00 5.02 C ATOM 1988 CG2 VAL A 114 -0.946 -3.806 -7.953 1.00 54.41 C ATOM 0 H VAL A 114 -2.128 -3.823 -5.498 1.00 1.13 H new ATOM 0 HA VAL A 114 0.273 -5.433 -5.167 1.00 14.23 H new ATOM 0 HB VAL A 114 0.991 -4.490 -7.446 1.00 53.42 H new ATOM 0 HG11 VAL A 114 -0.122 -6.262 -8.733 1.00 5.02 H new ATOM 0 HG12 VAL A 114 0.471 -6.841 -7.159 1.00 5.02 H new ATOM 0 HG13 VAL A 114 -1.262 -6.510 -7.389 1.00 5.02 H new ATOM 0 HG21 VAL A 114 -0.801 -3.932 -9.026 1.00 54.41 H new ATOM 0 HG22 VAL A 114 -1.984 -4.020 -7.700 1.00 54.41 H new ATOM 0 HG23 VAL A 114 -0.708 -2.780 -7.673 1.00 54.41 H new ATOM 1998 N GLN A 115 1.712 -3.389 -4.923 1.00 11.00 N ATOM 1999 CA GLN A 115 2.513 -2.228 -4.546 1.00 51.34 C ATOM 2000 C GLN A 115 3.922 -2.369 -5.122 1.00 4.24 C ATOM 2001 O GLN A 115 4.683 -3.243 -4.702 1.00 1.45 O ATOM 2002 CB GLN A 115 2.571 -2.065 -3.026 1.00 41.14 C ATOM 2003 CG GLN A 115 2.618 -0.611 -2.577 1.00 43.52 C ATOM 2004 CD GLN A 115 2.217 -0.421 -1.123 1.00 11.10 C ATOM 2005 OE1 GLN A 115 2.844 0.350 -0.397 1.00 2.40 O ATOM 2006 NE2 GLN A 115 1.164 -1.108 -0.688 1.00 40.24 N ATOM 0 H GLN A 115 2.220 -4.272 -4.882 1.00 11.00 H new ATOM 0 HA GLN A 115 2.043 -1.334 -4.956 1.00 51.34 H new ATOM 0 HB2 GLN A 115 1.700 -2.547 -2.582 1.00 41.14 H new ATOM 0 HB3 GLN A 115 3.451 -2.584 -2.645 1.00 41.14 H new ATOM 0 HG2 GLN A 115 3.627 -0.225 -2.723 1.00 43.52 H new ATOM 0 HG3 GLN A 115 1.956 -0.020 -3.210 1.00 43.52 H new ATOM 0 HE21 GLN A 115 0.670 -1.738 -1.320 1.00 40.24 H new ATOM 0 HE22 GLN A 115 0.851 -1.005 0.277 1.00 40.24 H new ATOM 2015 N THR A 116 4.258 -1.523 -6.095 1.00 62.11 N ATOM 2016 CA THR A 116 5.572 -1.579 -6.734 1.00 35.22 C ATOM 2017 C THR A 116 6.524 -0.539 -6.151 1.00 51.32 C ATOM 2018 O THR A 116 6.195 0.646 -6.081 1.00 61.55 O ATOM 2019 CB THR A 116 5.445 -1.368 -8.248 1.00 32.14 C ATOM 2020 OG1 THR A 116 4.604 -2.351 -8.830 1.00 12.40 O ATOM 2021 CG2 THR A 116 6.776 -1.416 -8.976 1.00 14.34 C ATOM 0 H THR A 116 3.642 -0.795 -6.456 1.00 62.11 H new ATOM 0 HA THR A 116 5.985 -2.569 -6.540 1.00 35.22 H new ATOM 0 HB THR A 116 5.021 -0.370 -8.360 1.00 32.14 H new ATOM 0 HG1 THR A 116 4.537 -2.195 -9.795 1.00 12.40 H new ATOM 0 HG21 THR A 116 6.613 -1.260 -10.042 1.00 14.34 H new ATOM 0 HG22 THR A 116 7.430 -0.634 -8.590 1.00 14.34 H new ATOM 0 HG23 THR A 116 7.242 -2.389 -8.819 1.00 14.34 H new ATOM 2029 N TYR A 117 7.716 -0.992 -5.763 1.00 33.44 N ATOM 2030 CA TYR A 117 8.739 -0.106 -5.217 1.00 20.44 C ATOM 2031 C TYR A 117 9.955 -0.092 -6.133 1.00 14.33 C ATOM 2032 O TYR A 117 10.373 -1.136 -6.643 1.00 51.24 O ATOM 2033 CB TYR A 117 9.183 -0.536 -3.818 1.00 72.24 C ATOM 2034 CG TYR A 117 8.062 -0.671 -2.809 1.00 71.41 C ATOM 2035 CD1 TYR A 117 7.195 -1.757 -2.836 1.00 32.30 C ATOM 2036 CD2 TYR A 117 7.885 0.284 -1.817 1.00 54.33 C ATOM 2037 CE1 TYR A 117 6.181 -1.882 -1.905 1.00 32.12 C ATOM 2038 CE2 TYR A 117 6.878 0.164 -0.881 1.00 31.21 C ATOM 2039 CZ TYR A 117 6.028 -0.920 -0.929 1.00 23.30 C ATOM 2040 OH TYR A 117 5.027 -1.046 0.007 1.00 42.41 O ATOM 0 H TYR A 117 7.996 -1.971 -5.818 1.00 33.44 H new ATOM 0 HA TYR A 117 8.300 0.889 -5.148 1.00 20.44 H new ATOM 0 HB2 TYR A 117 9.701 -1.492 -3.894 1.00 72.24 H new ATOM 0 HB3 TYR A 117 9.905 0.189 -3.443 1.00 72.24 H new ATOM 0 HD1 TYR A 117 7.315 -2.515 -3.596 1.00 32.30 H new ATOM 0 HD2 TYR A 117 8.547 1.136 -1.777 1.00 54.33 H new ATOM 0 HE1 TYR A 117 5.512 -2.729 -1.942 1.00 32.12 H new ATOM 0 HE2 TYR A 117 6.757 0.916 -0.115 1.00 31.21 H new ATOM 0 HH TYR A 117 4.450 -0.254 -0.023 1.00 42.41 H new ATOM 2050 N VAL A 118 10.514 1.092 -6.335 1.00 74.42 N ATOM 2051 CA VAL A 118 11.688 1.252 -7.193 1.00 62.15 C ATOM 2052 C VAL A 118 12.868 1.842 -6.416 1.00 44.02 C ATOM 2053 O VAL A 118 12.775 2.947 -5.875 1.00 20.14 O ATOM 2054 CB VAL A 118 11.390 2.146 -8.418 1.00 22.43 C ATOM 2055 CG1 VAL A 118 12.286 1.757 -9.584 1.00 53.11 C ATOM 2056 CG2 VAL A 118 9.921 2.056 -8.819 1.00 42.23 C ATOM 0 H VAL A 118 10.176 1.959 -5.918 1.00 74.42 H new ATOM 0 HA VAL A 118 11.950 0.254 -7.545 1.00 62.15 H new ATOM 0 HB VAL A 118 11.600 3.180 -8.144 1.00 22.43 H new ATOM 0 HG11 VAL A 118 12.066 2.394 -10.440 1.00 53.11 H new ATOM 0 HG12 VAL A 118 13.330 1.882 -9.298 1.00 53.11 H new ATOM 0 HG13 VAL A 118 12.105 0.716 -9.851 1.00 53.11 H new ATOM 0 HG21 VAL A 118 9.740 2.695 -9.683 1.00 42.23 H new ATOM 0 HG22 VAL A 118 9.676 1.025 -9.072 1.00 42.23 H new ATOM 0 HG23 VAL A 118 9.296 2.384 -7.988 1.00 42.23 H new ATOM 2066 N TYR A 119 13.976 1.094 -6.370 1.00 3.24 N ATOM 2067 CA TYR A 119 15.182 1.532 -5.665 1.00 63.11 C ATOM 2068 C TYR A 119 16.418 1.393 -6.559 1.00 63.42 C ATOM 2069 O TYR A 119 16.860 0.281 -6.856 1.00 21.25 O ATOM 2070 CB TYR A 119 15.367 0.720 -4.376 1.00 44.42 C ATOM 2071 CG TYR A 119 16.540 1.167 -3.524 1.00 55.04 C ATOM 2072 CD1 TYR A 119 16.510 2.378 -2.835 1.00 42.53 C ATOM 2073 CD2 TYR A 119 17.676 0.373 -3.409 1.00 12.04 C ATOM 2074 CE1 TYR A 119 17.581 2.784 -2.056 1.00 25.40 C ATOM 2075 CE2 TYR A 119 18.748 0.766 -2.636 1.00 63.42 C ATOM 2076 CZ TYR A 119 18.700 1.973 -1.960 1.00 34.43 C ATOM 2077 OH TYR A 119 19.769 2.368 -1.188 1.00 61.11 O ATOM 0 H TYR A 119 14.061 0.180 -6.815 1.00 3.24 H new ATOM 0 HA TYR A 119 15.063 2.584 -5.407 1.00 63.11 H new ATOM 0 HB2 TYR A 119 14.455 0.787 -3.783 1.00 44.42 H new ATOM 0 HB3 TYR A 119 15.501 -0.330 -4.637 1.00 44.42 H new ATOM 0 HD1 TYR A 119 15.638 3.010 -2.910 1.00 42.53 H new ATOM 0 HD2 TYR A 119 17.719 -0.569 -3.935 1.00 12.04 H new ATOM 0 HE1 TYR A 119 17.544 3.725 -1.528 1.00 25.40 H new ATOM 0 HE2 TYR A 119 19.621 0.135 -2.558 1.00 63.42 H new ATOM 0 HH TYR A 119 20.471 1.685 -1.227 1.00 61.11 H new ATOM 2087 N GLU A 120 16.966 2.536 -6.979 1.00 75.32 N ATOM 2088 CA GLU A 120 18.153 2.572 -7.839 1.00 60.12 C ATOM 2089 C GLU A 120 17.953 1.734 -9.106 1.00 55.22 C ATOM 2090 O GLU A 120 18.815 0.934 -9.478 1.00 34.55 O ATOM 2091 CB GLU A 120 19.389 2.086 -7.068 1.00 12.03 C ATOM 2092 CG GLU A 120 19.559 2.736 -5.701 1.00 34.31 C ATOM 2093 CD GLU A 120 20.059 4.169 -5.782 1.00 12.43 C ATOM 2094 OE1 GLU A 120 19.402 4.995 -6.451 1.00 2.14 O ATOM 2095 OE2 GLU A 120 21.108 4.466 -5.172 1.00 65.54 O ATOM 0 H GLU A 120 16.603 3.457 -6.735 1.00 75.32 H new ATOM 0 HA GLU A 120 18.311 3.607 -8.144 1.00 60.12 H new ATOM 0 HB2 GLU A 120 19.324 1.006 -6.940 1.00 12.03 H new ATOM 0 HB3 GLU A 120 20.279 2.283 -7.666 1.00 12.03 H new ATOM 0 HG2 GLU A 120 18.604 2.720 -5.176 1.00 34.31 H new ATOM 0 HG3 GLU A 120 20.259 2.146 -5.109 1.00 34.31 H new ATOM 2102 N GLY A 121 16.807 1.922 -9.766 1.00 2.31 N ATOM 2103 CA GLY A 121 16.513 1.178 -10.983 1.00 60.42 C ATOM 2104 C GLY A 121 15.789 -0.134 -10.720 1.00 63.33 C ATOM 2105 O GLY A 121 15.007 -0.591 -11.557 1.00 25.31 O ATOM 0 H GLY A 121 16.079 2.576 -9.479 1.00 2.31 H new ATOM 0 HA2 GLY A 121 15.904 1.797 -11.642 1.00 60.42 H new ATOM 0 HA3 GLY A 121 17.445 0.973 -11.510 1.00 60.42 H new ATOM 2109 N VAL A 122 16.051 -0.744 -9.561 1.00 64.25 N ATOM 2110 CA VAL A 122 15.423 -2.008 -9.195 1.00 73.12 C ATOM 2111 C VAL A 122 13.944 -1.814 -8.875 1.00 72.41 C ATOM 2112 O VAL A 122 13.589 -1.222 -7.853 1.00 60.51 O ATOM 2113 CB VAL A 122 16.136 -2.656 -7.986 1.00 72.45 C ATOM 2114 CG1 VAL A 122 15.302 -3.779 -7.384 1.00 42.44 C ATOM 2115 CG2 VAL A 122 17.508 -3.168 -8.396 1.00 52.32 C ATOM 0 H VAL A 122 16.696 -0.378 -8.861 1.00 64.25 H new ATOM 0 HA VAL A 122 15.513 -2.674 -10.053 1.00 73.12 H new ATOM 0 HB VAL A 122 16.261 -1.891 -7.219 1.00 72.45 H new ATOM 0 HG11 VAL A 122 15.833 -4.212 -6.536 1.00 42.44 H new ATOM 0 HG12 VAL A 122 14.345 -3.381 -7.047 1.00 42.44 H new ATOM 0 HG13 VAL A 122 15.131 -4.549 -8.137 1.00 42.44 H new ATOM 0 HG21 VAL A 122 17.999 -3.622 -7.535 1.00 52.32 H new ATOM 0 HG22 VAL A 122 17.398 -3.912 -9.185 1.00 52.32 H new ATOM 0 HG23 VAL A 122 18.112 -2.338 -8.762 1.00 52.32 H new ATOM 2125 N GLU A 123 13.090 -2.324 -9.759 1.00 34.40 N ATOM 2126 CA GLU A 123 11.647 -2.225 -9.588 1.00 3.04 C ATOM 2127 C GLU A 123 11.072 -3.567 -9.134 1.00 64.34 C ATOM 2128 O GLU A 123 10.931 -4.500 -9.929 1.00 64.33 O ATOM 2129 CB GLU A 123 10.988 -1.774 -10.896 1.00 24.20 C ATOM 2130 CG GLU A 123 9.532 -1.358 -10.738 1.00 63.23 C ATOM 2131 CD GLU A 123 8.572 -2.256 -11.498 1.00 73.42 C ATOM 2132 OE1 GLU A 123 8.739 -3.492 -11.442 1.00 33.14 O ATOM 2133 OE2 GLU A 123 7.648 -1.725 -12.147 1.00 12.54 O ATOM 0 H GLU A 123 13.378 -2.813 -10.607 1.00 34.40 H new ATOM 0 HA GLU A 123 11.436 -1.482 -8.819 1.00 3.04 H new ATOM 0 HB2 GLU A 123 11.553 -0.937 -11.307 1.00 24.20 H new ATOM 0 HB3 GLU A 123 11.048 -2.586 -11.621 1.00 24.20 H new ATOM 0 HG2 GLU A 123 9.270 -1.368 -9.680 1.00 63.23 H new ATOM 0 HG3 GLU A 123 9.413 -0.332 -11.086 1.00 63.23 H new ATOM 2140 N ALA A 124 10.746 -3.653 -7.846 1.00 44.34 N ATOM 2141 CA ALA A 124 10.184 -4.870 -7.266 1.00 12.21 C ATOM 2142 C ALA A 124 8.810 -4.595 -6.665 1.00 3.45 C ATOM 2143 O ALA A 124 8.542 -3.489 -6.196 1.00 11.22 O ATOM 2144 CB ALA A 124 11.122 -5.433 -6.210 1.00 24.12 C ATOM 0 H ALA A 124 10.863 -2.889 -7.181 1.00 44.34 H new ATOM 0 HA ALA A 124 10.069 -5.608 -8.060 1.00 12.21 H new ATOM 0 HB1 ALA A 124 10.690 -6.340 -5.786 1.00 24.12 H new ATOM 0 HB2 ALA A 124 12.084 -5.668 -6.666 1.00 24.12 H new ATOM 0 HB3 ALA A 124 11.265 -4.696 -5.420 1.00 24.12 H new ATOM 2150 N LYS A 125 7.936 -5.602 -6.685 1.00 23.22 N ATOM 2151 CA LYS A 125 6.586 -5.442 -6.141 1.00 45.24 C ATOM 2152 C LYS A 125 6.101 -6.702 -5.425 1.00 34.12 C ATOM 2153 O LYS A 125 6.457 -7.823 -5.795 1.00 3.13 O ATOM 2154 CB LYS A 125 5.579 -5.061 -7.246 1.00 74.41 C ATOM 2155 CG LYS A 125 6.175 -4.957 -8.645 1.00 13.30 C ATOM 2156 CD LYS A 125 6.473 -6.328 -9.235 1.00 4.11 C ATOM 2157 CE LYS A 125 7.559 -6.258 -10.298 1.00 12.33 C ATOM 2158 NZ LYS A 125 7.073 -5.625 -11.556 1.00 1.01 N ATOM 0 H LYS A 125 8.134 -6.527 -7.067 1.00 23.22 H new ATOM 0 HA LYS A 125 6.643 -4.634 -5.412 1.00 45.24 H new ATOM 0 HB2 LYS A 125 4.780 -5.802 -7.261 1.00 74.41 H new ATOM 0 HB3 LYS A 125 5.123 -4.105 -6.989 1.00 74.41 H new ATOM 0 HG2 LYS A 125 5.483 -4.423 -9.296 1.00 13.30 H new ATOM 0 HG3 LYS A 125 7.093 -4.370 -8.607 1.00 13.30 H new ATOM 0 HD2 LYS A 125 6.784 -7.006 -8.441 1.00 4.11 H new ATOM 0 HD3 LYS A 125 5.564 -6.743 -9.670 1.00 4.11 H new ATOM 0 HE2 LYS A 125 8.407 -5.692 -9.912 1.00 12.33 H new ATOM 0 HE3 LYS A 125 7.919 -7.264 -10.515 1.00 12.33 H new ATOM 0 HZ1 LYS A 125 7.335 -6.220 -12.368 1.00 1.01 H new ATOM 0 HZ2 LYS A 125 6.038 -5.527 -11.518 1.00 1.01 H new ATOM 0 HZ3 LYS A 125 7.506 -4.686 -11.662 1.00 1.01 H new ATOM 2172 N ARG A 126 5.259 -6.494 -4.413 1.00 62.24 N ATOM 2173 CA ARG A 126 4.673 -7.585 -3.641 1.00 12.32 C ATOM 2174 C ARG A 126 3.184 -7.667 -3.949 1.00 62.22 C ATOM 2175 O ARG A 126 2.467 -6.665 -3.855 1.00 33.43 O ATOM 2176 CB ARG A 126 4.889 -7.363 -2.142 1.00 44.04 C ATOM 2177 CG ARG A 126 4.946 -8.652 -1.337 1.00 2.12 C ATOM 2178 CD ARG A 126 6.379 -9.055 -1.030 1.00 11.30 C ATOM 2179 NE ARG A 126 6.447 -10.086 0.005 1.00 11.52 N ATOM 2180 CZ ARG A 126 6.363 -9.838 1.315 1.00 5.52 C ATOM 2181 NH1 ARG A 126 6.196 -8.594 1.756 1.00 3.04 N ATOM 2182 NH2 ARG A 126 6.442 -10.837 2.187 1.00 62.22 N ATOM 0 H ARG A 126 4.966 -5.566 -4.107 1.00 62.24 H new ATOM 0 HA ARG A 126 5.159 -8.521 -3.918 1.00 12.32 H new ATOM 0 HB2 ARG A 126 5.818 -6.812 -1.995 1.00 44.04 H new ATOM 0 HB3 ARG A 126 4.083 -6.739 -1.756 1.00 44.04 H new ATOM 0 HG2 ARG A 126 4.395 -8.525 -0.405 1.00 2.12 H new ATOM 0 HG3 ARG A 126 4.453 -9.451 -1.892 1.00 2.12 H new ATOM 0 HD2 ARG A 126 6.855 -9.422 -1.939 1.00 11.30 H new ATOM 0 HD3 ARG A 126 6.941 -8.179 -0.707 1.00 11.30 H new ATOM 0 HE ARG A 126 6.566 -11.055 -0.292 1.00 11.52 H new ATOM 0 HH11 ARG A 126 6.131 -7.822 1.092 1.00 3.04 H new ATOM 0 HH12 ARG A 126 6.133 -8.412 2.758 1.00 3.04 H new ATOM 0 HH21 ARG A 126 6.567 -11.794 1.856 1.00 62.22 H new ATOM 0 HH22 ARG A 126 6.378 -10.647 3.187 1.00 62.22 H new ATOM 2196 N ILE A 127 2.726 -8.854 -4.328 1.00 60.44 N ATOM 2197 CA ILE A 127 1.323 -9.061 -4.659 1.00 55.24 C ATOM 2198 C ILE A 127 0.594 -9.734 -3.505 1.00 34.20 C ATOM 2199 O ILE A 127 0.827 -10.909 -3.208 1.00 73.23 O ATOM 2200 CB ILE A 127 1.160 -9.912 -5.937 1.00 21.42 C ATOM 2201 CG1 ILE A 127 1.910 -9.268 -7.107 1.00 53.42 C ATOM 2202 CG2 ILE A 127 -0.313 -10.088 -6.277 1.00 53.35 C ATOM 2203 CD1 ILE A 127 2.042 -10.170 -8.314 1.00 20.21 C ATOM 0 H ILE A 127 3.307 -9.688 -4.414 1.00 60.44 H new ATOM 0 HA ILE A 127 0.886 -8.079 -4.841 1.00 55.24 H new ATOM 0 HB ILE A 127 1.589 -10.897 -5.753 1.00 21.42 H new ATOM 0 HG12 ILE A 127 1.392 -8.355 -7.401 1.00 53.42 H new ATOM 0 HG13 ILE A 127 2.905 -8.975 -6.772 1.00 53.42 H new ATOM 0 HG21 ILE A 127 -0.408 -10.690 -7.180 1.00 53.35 H new ATOM 0 HG22 ILE A 127 -0.820 -10.589 -5.452 1.00 53.35 H new ATOM 0 HG23 ILE A 127 -0.767 -9.111 -6.442 1.00 53.35 H new ATOM 0 HD11 ILE A 127 2.584 -9.647 -9.102 1.00 20.21 H new ATOM 0 HD12 ILE A 127 2.587 -11.072 -8.036 1.00 20.21 H new ATOM 0 HD13 ILE A 127 1.050 -10.442 -8.675 1.00 20.21 H new ATOM 2215 N PHE A 128 -0.286 -8.980 -2.858 1.00 4.04 N ATOM 2216 CA PHE A 128 -1.051 -9.500 -1.736 1.00 24.12 C ATOM 2217 C PHE A 128 -2.440 -9.923 -2.196 1.00 12.40 C ATOM 2218 O PHE A 128 -3.163 -9.140 -2.819 1.00 74.43 O ATOM 2219 CB PHE A 128 -1.179 -8.444 -0.629 1.00 12.01 C ATOM 2220 CG PHE A 128 0.044 -7.584 -0.450 1.00 34.22 C ATOM 2221 CD1 PHE A 128 1.114 -8.024 0.312 1.00 33.20 C ATOM 2222 CD2 PHE A 128 0.117 -6.332 -1.040 1.00 54.02 C ATOM 2223 CE1 PHE A 128 2.233 -7.234 0.481 1.00 64.21 C ATOM 2224 CE2 PHE A 128 1.235 -5.537 -0.873 1.00 45.01 C ATOM 2225 CZ PHE A 128 2.294 -5.989 -0.112 1.00 14.11 C ATOM 0 H PHE A 128 -0.486 -8.008 -3.092 1.00 4.04 H new ATOM 0 HA PHE A 128 -0.522 -10.366 -1.338 1.00 24.12 H new ATOM 0 HB2 PHE A 128 -2.031 -7.802 -0.852 1.00 12.01 H new ATOM 0 HB3 PHE A 128 -1.397 -8.947 0.313 1.00 12.01 H new ATOM 0 HD1 PHE A 128 1.072 -8.997 0.779 1.00 33.20 H new ATOM 0 HD2 PHE A 128 -0.709 -5.974 -1.637 1.00 54.02 H new ATOM 0 HE1 PHE A 128 3.060 -7.590 1.077 1.00 64.21 H new ATOM 0 HE2 PHE A 128 1.280 -4.563 -1.337 1.00 45.01 H new ATOM 0 HZ PHE A 128 3.169 -5.370 0.019 1.00 14.11 H new ATOM 2235 N LYS A 129 -2.812 -11.157 -1.877 1.00 52.01 N ATOM 2236 CA LYS A 129 -4.122 -11.680 -2.248 1.00 61.23 C ATOM 2237 C LYS A 129 -5.004 -11.797 -1.014 1.00 52.55 C ATOM 2238 O LYS A 129 -4.524 -12.146 0.068 1.00 32.11 O ATOM 2239 CB LYS A 129 -3.980 -13.048 -2.927 1.00 5.34 C ATOM 2240 CG LYS A 129 -5.300 -13.787 -3.124 1.00 21.43 C ATOM 2241 CD LYS A 129 -5.169 -15.270 -2.805 1.00 54.41 C ATOM 2242 CE LYS A 129 -5.185 -15.532 -1.306 1.00 61.32 C ATOM 2243 NZ LYS A 129 -4.600 -16.857 -0.962 1.00 60.31 N ATOM 0 H LYS A 129 -2.226 -11.814 -1.363 1.00 52.01 H new ATOM 0 HA LYS A 129 -4.587 -10.990 -2.952 1.00 61.23 H new ATOM 0 HB2 LYS A 129 -3.504 -12.912 -3.898 1.00 5.34 H new ATOM 0 HB3 LYS A 129 -3.313 -13.670 -2.330 1.00 5.34 H new ATOM 0 HG2 LYS A 129 -6.064 -13.344 -2.485 1.00 21.43 H new ATOM 0 HG3 LYS A 129 -5.635 -13.665 -4.154 1.00 21.43 H new ATOM 0 HD2 LYS A 129 -5.985 -15.816 -3.278 1.00 54.41 H new ATOM 0 HD3 LYS A 129 -4.241 -15.652 -3.230 1.00 54.41 H new ATOM 0 HE2 LYS A 129 -4.628 -14.747 -0.795 1.00 61.32 H new ATOM 0 HE3 LYS A 129 -6.211 -15.484 -0.941 1.00 61.32 H new ATOM 0 HZ1 LYS A 129 -4.951 -17.160 -0.031 1.00 60.31 H new ATOM 0 HZ2 LYS A 129 -4.877 -17.556 -1.681 1.00 60.31 H new ATOM 0 HZ3 LYS A 129 -3.563 -16.782 -0.933 1.00 60.31 H new ATOM 2257 N LYS A 130 -6.295 -11.499 -1.185 1.00 40.21 N ATOM 2258 CA LYS A 130 -7.254 -11.567 -0.084 1.00 43.41 C ATOM 2259 C LYS A 130 -7.019 -12.815 0.751 1.00 13.11 C ATOM 2260 O LYS A 130 -6.784 -13.894 0.215 1.00 23.14 O ATOM 2261 CB LYS A 130 -8.696 -11.597 -0.585 1.00 53.25 C ATOM 2262 CG LYS A 130 -8.985 -10.724 -1.799 1.00 51.34 C ATOM 2263 CD LYS A 130 -9.543 -9.380 -1.383 1.00 25.40 C ATOM 2264 CE LYS A 130 -11.060 -9.379 -1.377 1.00 34.45 C ATOM 2265 NZ LYS A 130 -11.636 -10.573 -0.691 1.00 32.53 N ATOM 0 H LYS A 130 -6.698 -11.209 -2.076 1.00 40.21 H new ATOM 0 HA LYS A 130 -7.103 -10.670 0.517 1.00 43.41 H new ATOM 0 HB2 LYS A 130 -8.956 -12.627 -0.829 1.00 53.25 H new ATOM 0 HB3 LYS A 130 -9.352 -11.287 0.229 1.00 53.25 H new ATOM 0 HG2 LYS A 130 -8.070 -10.579 -2.373 1.00 51.34 H new ATOM 0 HG3 LYS A 130 -9.695 -11.229 -2.453 1.00 51.34 H new ATOM 0 HD2 LYS A 130 -9.175 -9.125 -0.389 1.00 25.40 H new ATOM 0 HD3 LYS A 130 -9.181 -8.609 -2.064 1.00 25.40 H new ATOM 0 HE2 LYS A 130 -11.416 -8.475 -0.883 1.00 34.45 H new ATOM 0 HE3 LYS A 130 -11.423 -9.345 -2.404 1.00 34.45 H new ATOM 0 HZ1 LYS A 130 -12.673 -10.496 -0.672 1.00 32.53 H new ATOM 0 HZ2 LYS A 130 -11.363 -11.434 -1.205 1.00 32.53 H new ATOM 0 HZ3 LYS A 130 -11.274 -10.622 0.283 1.00 32.53 H new ATOM 2279 N ASP A 131 -7.094 -12.663 2.059 1.00 33.44 N ATOM 2280 CA ASP A 131 -6.894 -13.786 2.967 1.00 55.01 C ATOM 2281 C ASP A 131 -8.216 -14.231 3.582 1.00 62.41 C ATOM 2282 O ASP A 131 -8.569 -15.417 3.426 1.00 62.41 O ATOM 2283 CB ASP A 131 -5.892 -13.417 4.067 1.00 0.44 C ATOM 2284 CG ASP A 131 -5.011 -14.586 4.478 1.00 25.35 C ATOM 2285 OD1 ASP A 131 -4.708 -15.444 3.618 1.00 75.41 O ATOM 2286 OD2 ASP A 131 -4.618 -14.639 5.663 1.00 15.32 O ATOM 2287 OXT ASP A 131 -8.892 -13.387 4.205 1.00 62.41 O ATOM 0 H ASP A 131 -7.292 -11.775 2.521 1.00 33.44 H new ATOM 0 HA ASP A 131 -6.488 -14.618 2.391 1.00 55.01 H new ATOM 0 HB2 ASP A 131 -5.262 -12.598 3.719 1.00 0.44 H new ATOM 0 HB3 ASP A 131 -6.435 -13.053 4.939 1.00 0.44 H new TER 2292 ASP A 131 HETATM 2293 C1 OLA A 201 5.250 2.598 1.888 1.00 20.00 C HETATM 2294 O1 OLA A 201 5.043 1.368 1.812 1.00 20.00 O HETATM 2295 O2 OLA A 201 4.406 3.407 2.330 1.00 20.00 O HETATM 2296 C2 OLA A 201 6.590 3.135 1.425 1.00 20.00 C HETATM 2297 C3 OLA A 201 7.570 3.328 2.571 1.00 20.00 C HETATM 2298 C4 OLA A 201 8.944 2.765 2.235 1.00 20.00 C HETATM 2299 C5 OLA A 201 9.318 1.617 3.160 1.00 20.00 C HETATM 2300 C6 OLA A 201 10.334 0.688 2.513 1.00 20.00 C HETATM 2301 C7 OLA A 201 11.302 0.115 3.538 1.00 20.00 C HETATM 2302 C8 OLA A 201 11.009 -1.350 3.828 1.00 20.00 C HETATM 2303 C9 OLA A 201 11.771 -2.236 2.839 1.00 20.00 C HETATM 2304 C10 OLA A 201 13.049 -2.963 3.274 1.00 20.00 C HETATM 2305 C11 OLA A 201 13.577 -2.815 4.702 1.00 20.00 C HETATM 2306 C12 OLA A 201 13.967 -4.179 5.249 1.00 20.00 C HETATM 2307 C13 OLA A 201 15.406 -4.535 4.903 1.00 20.00 C HETATM 2308 C14 OLA A 201 15.604 -6.043 4.815 1.00 20.00 C HETATM 2309 C15 OLA A 201 16.218 -6.603 6.090 1.00 20.00 C HETATM 2310 C16 OLA A 201 15.167 -6.823 7.166 1.00 20.00 C HETATM 2311 C17 OLA A 201 15.770 -6.756 8.560 1.00 20.00 C HETATM 2312 C18 OLA A 201 14.850 -7.221 9.667 1.00 20.00 C HETATM 0 H183 OLA A 201 13.954 -6.600 9.680 1.00 20.00 H new HETATM 0 H182 OLA A 201 14.569 -8.260 9.494 1.00 20.00 H new HETATM 0 H181 OLA A 201 15.363 -7.138 10.625 1.00 20.00 H new HETATM 0 H172 OLA A 201 16.676 -7.362 8.579 1.00 20.00 H new HETATM 0 H171 OLA A 201 16.070 -5.728 8.763 1.00 20.00 H new HETATM 0 H162 OLA A 201 14.385 -6.070 7.071 1.00 20.00 H new HETATM 0 H161 OLA A 201 14.694 -7.794 7.020 1.00 20.00 H new HETATM 0 H152 OLA A 201 16.718 -7.546 5.870 1.00 20.00 H new HETATM 0 H151 OLA A 201 16.980 -5.917 6.460 1.00 20.00 H new HETATM 0 H142 OLA A 201 14.645 -6.526 4.630 1.00 20.00 H new HETATM 0 H141 OLA A 201 16.248 -6.277 3.967 1.00 20.00 H new HETATM 0 H132 OLA A 201 15.677 -4.076 3.952 1.00 20.00 H new HETATM 0 H131 OLA A 201 16.075 -4.123 5.658 1.00 20.00 H new HETATM 0 H122 OLA A 201 13.841 -4.186 6.332 1.00 20.00 H new HETATM 0 H121 OLA A 201 13.297 -4.938 4.845 1.00 20.00 H new HETATM 0 H112 OLA A 201 14.439 -2.148 4.714 1.00 20.00 H new HETATM 0 H111 OLA A 201 12.815 -2.362 5.337 1.00 20.00 H new HETATM 0 HO2 OLA A 201 4.800 4.303 2.367 1.00 20.00 H new HETATM 0 H9 OLA A 201 11.403 -2.351 1.819 1.00 20.00 H new HETATM 0 H82 OLA A 201 11.302 -1.594 4.849 1.00 20.00 H new HETATM 0 H81 OLA A 201 9.938 -1.539 3.750 1.00 20.00 H new HETATM 0 H72 OLA A 201 12.323 0.217 3.171 1.00 20.00 H new HETATM 0 H71 OLA A 201 11.237 0.690 4.462 1.00 20.00 H new HETATM 0 H62 OLA A 201 9.814 -0.126 2.008 1.00 20.00 H new HETATM 0 H61 OLA A 201 10.891 1.232 1.750 1.00 20.00 H new HETATM 0 H52 OLA A 201 9.727 2.015 4.089 1.00 20.00 H new HETATM 0 H51 OLA A 201 8.423 1.053 3.422 1.00 20.00 H new HETATM 0 H42 OLA A 201 8.954 2.419 1.202 1.00 20.00 H new HETATM 0 H41 OLA A 201 9.691 3.555 2.313 1.00 20.00 H new HETATM 0 H32 OLA A 201 7.658 4.390 2.800 1.00 20.00 H new HETATM 0 H31 OLA A 201 7.185 2.839 3.466 1.00 20.00 H new HETATM 0 H22 OLA A 201 7.020 2.448 0.696 1.00 20.00 H new HETATM 0 H21 OLA A 201 6.440 4.087 0.916 1.00 20.00 H new HETATM 0 H10 OLA A 201 13.585 -3.589 2.561 1.00 20.00 H new