USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 SER OG : rot 149:sc= 0.854 USER MOD Set 1.2: A 118 THR OG1 : rot 58:sc= 0.714 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -0.015 K(o=-1.4,f=-5!) USER MOD Set 2.2: A 100 MET CE :methyl 168:sc= -1.31 (180deg=-0.413) USER MOD Set 2.3: A 112 MET CE :methyl 136:sc= -0.112 (180deg=-0.0904) USER MOD Set 3.1: A 89 LYS NZ :NH3+ -153:sc= 1.01 (180deg=-0.049) USER MOD Set 3.2: A 90 SER OG : rot 180:sc= 0.228 USER MOD Set 4.1: A 22 GLN : amide:sc= -2.75! X(o=-5.2!,f=-5.2) USER MOD Set 4.2: A 34 LYS NZ :NH3+ 154:sc= -2.48! (180deg=-3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.726 (180deg=0.487) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0295 X(o=-0.029,f=-0.26) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 79:sc= 1.25 USER MOD Single : A 21 HIS : no HE2:sc= 0.0954 K(o=0.095,f=-0.54) USER MOD Single : A 23 GLN : amide:sc= -2.38 K(o=-2.4,f=-5.3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.121 USER MOD Single : A 35 TYR OH : rot -81:sc= 0.00137 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0.475 (180deg=0.454) USER MOD Single : A 42 LYS NZ :NH3+ -111:sc= 1.21 (180deg=-0.0109) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.566 USER MOD Single : A 56 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0.022) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc=0.000569 USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= 0.439 (180deg=0.325) USER MOD Single : A 65 GLN : amide:sc= -0.0492 K(o=-0.049,f=-0.77) USER MOD Single : A 66 LYS NZ :NH3+ 157:sc= 0.108 (180deg=0.0212) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -160:sc= -0.194 (180deg=-1.07) USER MOD Single : A 73 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.74) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.43 K(o=-1.4,f=-2) USER MOD Single : A 84 MET CE :methyl -165:sc= -1.66 (180deg=-2.16!) USER MOD Single : A 86 LYS NZ :NH3+ -153:sc= 0.706 (180deg=0.451) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -68:sc= 1.26 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -170:sc= -0.17 USER MOD Single : A 117 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0542) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.892 -6.308 -3.530 1.00 0.00 N ATOM 2 CA MET A 1 -15.471 -7.694 -3.235 1.00 0.00 C ATOM 3 C MET A 1 -14.987 -7.780 -1.780 1.00 0.00 C ATOM 4 O MET A 1 -15.484 -8.607 -1.002 1.00 0.00 O ATOM 5 CB MET A 1 -14.365 -8.158 -4.232 1.00 0.00 C ATOM 6 CG MET A 1 -14.817 -8.206 -5.702 1.00 0.00 C ATOM 7 SD MET A 1 -15.326 -6.590 -6.338 1.00 0.00 S ATOM 8 CE MET A 1 -16.028 -7.025 -7.935 1.00 0.00 C ATOM 0 H1 MET A 1 -16.075 -6.210 -4.549 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.759 -6.088 -3.000 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.138 -5.649 -3.249 1.00 0.00 H new ATOM 0 HA MET A 1 -16.321 -8.365 -3.360 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.512 -7.485 -4.148 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.020 -9.149 -3.938 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.002 -8.591 -6.315 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.647 -8.906 -5.799 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.381 -6.123 -8.435 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.266 -7.506 -8.549 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.863 -7.710 -7.791 1.00 0.00 H new ATOM 18 N LYS A 2 -14.031 -6.902 -1.422 1.00 0.00 N ATOM 19 CA LYS A 2 -13.468 -6.817 -0.065 1.00 0.00 C ATOM 20 C LYS A 2 -12.628 -5.531 0.047 1.00 0.00 C ATOM 21 O LYS A 2 -11.940 -5.156 -0.905 1.00 0.00 O ATOM 22 CB LYS A 2 -12.603 -8.082 0.236 1.00 0.00 C ATOM 23 CG LYS A 2 -12.133 -8.220 1.698 1.00 0.00 C ATOM 24 CD LYS A 2 -11.297 -9.501 1.955 1.00 0.00 C ATOM 25 CE LYS A 2 -12.079 -10.800 1.727 1.00 0.00 C ATOM 26 NZ LYS A 2 -11.254 -12.004 2.013 1.00 0.00 N ATOM 0 H LYS A 2 -13.626 -6.228 -2.072 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.271 -6.780 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.179 -8.969 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.726 -8.066 -0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.538 -7.347 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.004 -8.225 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.424 -9.493 1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.928 -9.484 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.964 -10.807 2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.428 -10.837 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.820 -12.860 1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.423 -12.012 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.941 -11.983 3.005 1.00 0.00 H new ATOM 40 N GLU A 3 -12.691 -4.864 1.211 1.00 0.00 N ATOM 41 CA GLU A 3 -11.956 -3.598 1.483 1.00 0.00 C ATOM 42 C GLU A 3 -11.530 -3.513 2.969 1.00 0.00 C ATOM 43 O GLU A 3 -11.109 -2.450 3.445 1.00 0.00 O ATOM 44 CB GLU A 3 -12.830 -2.360 1.058 1.00 0.00 C ATOM 45 CG GLU A 3 -14.362 -2.487 1.287 1.00 0.00 C ATOM 46 CD GLU A 3 -14.771 -2.813 2.735 1.00 0.00 C ATOM 47 OE1 GLU A 3 -14.876 -1.886 3.560 1.00 0.00 O ATOM 48 OE2 GLU A 3 -14.974 -4.008 3.050 1.00 0.00 O ATOM 0 H GLU A 3 -13.254 -5.182 2.000 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.044 -3.588 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.474 -1.486 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.657 -2.167 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.839 -1.553 0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.751 -3.265 0.630 1.00 0.00 H new ATOM 55 N VAL A 4 -11.608 -4.660 3.670 1.00 0.00 N ATOM 56 CA VAL A 4 -11.406 -4.744 5.140 1.00 0.00 C ATOM 57 C VAL A 4 -9.921 -4.462 5.501 1.00 0.00 C ATOM 58 O VAL A 4 -9.620 -3.807 6.484 1.00 0.00 O ATOM 59 CB VAL A 4 -11.840 -6.169 5.687 1.00 0.00 C ATOM 60 CG1 VAL A 4 -12.044 -6.160 7.220 1.00 0.00 C ATOM 61 CG2 VAL A 4 -13.113 -6.686 4.975 1.00 0.00 C ATOM 0 H VAL A 4 -11.813 -5.560 3.237 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.032 -3.987 5.613 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.022 -6.853 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.340 -7.155 7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.112 -5.876 7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -12.823 -5.443 7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -13.381 -7.664 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -13.933 -5.988 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.922 -6.771 3.905 1.00 0.00 H new ATOM 71 N GLU A 5 -9.039 -4.972 4.638 1.00 0.00 N ATOM 72 CA GLU A 5 -7.558 -4.827 4.746 1.00 0.00 C ATOM 73 C GLU A 5 -7.159 -3.337 4.838 1.00 0.00 C ATOM 74 O GLU A 5 -6.386 -2.943 5.710 1.00 0.00 O ATOM 75 CB GLU A 5 -6.824 -5.499 3.535 1.00 0.00 C ATOM 76 CG GLU A 5 -6.932 -7.037 3.456 1.00 0.00 C ATOM 77 CD GLU A 5 -8.374 -7.546 3.333 1.00 0.00 C ATOM 78 OE1 GLU A 5 -9.075 -7.109 2.398 1.00 0.00 O ATOM 79 OE2 GLU A 5 -8.828 -8.337 4.186 1.00 0.00 O ATOM 0 H GLU A 5 -9.326 -5.512 3.821 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.249 -5.336 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.223 -5.077 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.769 -5.229 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.357 -7.390 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.477 -7.471 4.346 1.00 0.00 H new ATOM 86 N LYS A 6 -7.631 -2.581 3.833 1.00 0.00 N ATOM 87 CA LYS A 6 -7.478 -1.089 3.830 1.00 0.00 C ATOM 88 C LYS A 6 -7.850 -0.465 5.214 1.00 0.00 C ATOM 89 O LYS A 6 -7.122 0.394 5.734 1.00 0.00 O ATOM 90 CB LYS A 6 -8.340 -0.419 2.714 1.00 0.00 C ATOM 91 CG LYS A 6 -7.836 -0.614 1.259 1.00 0.00 C ATOM 92 CD LYS A 6 -8.030 -2.046 0.714 1.00 0.00 C ATOM 93 CE LYS A 6 -7.456 -2.205 -0.699 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.715 -3.546 -1.262 1.00 0.00 N ATOM 0 H LYS A 6 -8.116 -2.956 3.018 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.425 -0.893 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.355 -0.810 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.396 0.650 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.359 0.086 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.777 -0.360 1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.547 -2.757 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.092 -2.289 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.891 -1.449 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.381 -2.025 -0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.309 -3.606 -2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.278 -4.268 -0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.741 -3.710 -1.311 1.00 0.00 H new ATOM 108 N ASN A 7 -8.975 -0.951 5.789 1.00 0.00 N ATOM 109 CA ASN A 7 -9.443 -0.478 7.128 1.00 0.00 C ATOM 110 C ASN A 7 -8.433 -0.870 8.246 1.00 0.00 C ATOM 111 O ASN A 7 -8.206 -0.101 9.180 1.00 0.00 O ATOM 112 CB ASN A 7 -10.839 -1.068 7.465 1.00 0.00 C ATOM 113 CG ASN A 7 -11.457 -0.545 8.770 1.00 0.00 C ATOM 114 OD1 ASN A 7 -11.255 0.608 9.154 1.00 0.00 O ATOM 115 ND2 ASN A 7 -12.211 -1.395 9.460 1.00 0.00 N ATOM 0 H ASN A 7 -9.572 -1.659 5.361 1.00 0.00 H new ATOM 0 HA ASN A 7 -9.515 0.609 7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.520 -0.848 6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.755 -2.153 7.528 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.642 -1.099 10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.358 -2.343 9.114 1.00 0.00 H new ATOM 122 N GLU A 8 -7.842 -2.081 8.121 1.00 0.00 N ATOM 123 CA GLU A 8 -6.834 -2.604 9.084 1.00 0.00 C ATOM 124 C GLU A 8 -5.533 -1.780 9.063 1.00 0.00 C ATOM 125 O GLU A 8 -5.011 -1.425 10.130 1.00 0.00 O ATOM 126 CB GLU A 8 -6.522 -4.125 8.853 1.00 0.00 C ATOM 127 CG GLU A 8 -7.393 -5.105 9.679 1.00 0.00 C ATOM 128 CD GLU A 8 -8.823 -5.281 9.145 1.00 0.00 C ATOM 129 OE1 GLU A 8 -9.678 -4.382 9.335 1.00 0.00 O ATOM 130 OE2 GLU A 8 -9.109 -6.341 8.556 1.00 0.00 O ATOM 0 H GLU A 8 -8.046 -2.723 7.355 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.283 -2.503 10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.652 -4.350 7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.474 -4.306 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.903 -6.078 9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.443 -4.750 10.708 1.00 0.00 H new ATOM 137 N ILE A 9 -4.977 -1.503 7.864 1.00 0.00 N ATOM 138 CA ILE A 9 -3.758 -0.677 7.718 1.00 0.00 C ATOM 139 C ILE A 9 -3.996 0.755 8.245 1.00 0.00 C ATOM 140 O ILE A 9 -3.123 1.336 8.892 1.00 0.00 O ATOM 141 CB ILE A 9 -3.251 -0.645 6.216 1.00 0.00 C ATOM 142 CG1 ILE A 9 -3.066 -2.103 5.655 1.00 0.00 C ATOM 143 CG2 ILE A 9 -1.937 0.180 6.069 1.00 0.00 C ATOM 144 CD1 ILE A 9 -2.014 -2.952 6.371 1.00 0.00 C ATOM 0 H ILE A 9 -5.355 -1.841 6.979 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.976 -1.139 8.321 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.017 -0.146 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.024 -2.620 5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.799 -2.037 4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.621 0.179 5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.113 1.206 6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.156 -0.266 6.685 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.965 -3.937 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.041 -2.466 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.285 -3.058 7.421 1.00 0.00 H new ATOM 156 N LYS A 10 -5.198 1.288 7.982 1.00 0.00 N ATOM 157 CA LYS A 10 -5.635 2.607 8.494 1.00 0.00 C ATOM 158 C LYS A 10 -5.675 2.593 10.048 1.00 0.00 C ATOM 159 O LYS A 10 -5.283 3.554 10.695 1.00 0.00 O ATOM 160 CB LYS A 10 -7.026 2.946 7.866 1.00 0.00 C ATOM 161 CG LYS A 10 -7.650 4.331 8.212 1.00 0.00 C ATOM 162 CD LYS A 10 -8.420 4.362 9.554 1.00 0.00 C ATOM 163 CE LYS A 10 -9.090 5.715 9.837 1.00 0.00 C ATOM 164 NZ LYS A 10 -9.869 5.696 11.101 1.00 0.00 N ATOM 0 H LYS A 10 -5.900 0.821 7.408 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.928 3.385 8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.931 2.880 6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.731 2.173 8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.856 5.077 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.328 4.622 7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.181 3.582 9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.731 4.128 10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.328 6.492 9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.749 5.973 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.305 6.628 11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.613 4.972 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.236 5.475 11.896 1.00 0.00 H new ATOM 178 N ARG A 11 -6.231 1.499 10.578 1.00 0.00 N ATOM 179 CA ARG A 11 -6.336 1.232 12.033 1.00 0.00 C ATOM 180 C ARG A 11 -4.960 1.328 12.758 1.00 0.00 C ATOM 181 O ARG A 11 -4.813 2.104 13.712 1.00 0.00 O ATOM 182 CB ARG A 11 -7.004 -0.143 12.268 1.00 0.00 C ATOM 183 CG ARG A 11 -7.120 -0.563 13.750 1.00 0.00 C ATOM 184 CD ARG A 11 -7.908 -1.869 13.931 1.00 0.00 C ATOM 185 NE ARG A 11 -9.305 -1.722 13.462 1.00 0.00 N ATOM 186 CZ ARG A 11 -9.912 -2.481 12.539 1.00 0.00 C ATOM 187 NH1 ARG A 11 -9.278 -3.488 11.977 1.00 0.00 N ATOM 188 NH2 ARG A 11 -11.158 -2.227 12.200 1.00 0.00 N ATOM 0 H ARG A 11 -6.631 0.755 10.006 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.963 2.009 12.470 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.002 -0.125 11.831 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.435 -0.904 11.733 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.121 -0.684 14.169 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.608 0.233 14.313 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.419 -2.671 13.379 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.903 -2.157 14.982 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.857 -0.973 13.880 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.316 -3.697 12.243 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.749 -4.060 11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.659 -1.455 12.639 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.623 -2.803 11.498 1.00 0.00 H new ATOM 202 N LEU A 12 -3.959 0.534 12.316 1.00 0.00 N ATOM 203 CA LEU A 12 -2.605 0.552 12.940 1.00 0.00 C ATOM 204 C LEU A 12 -1.894 1.917 12.741 1.00 0.00 C ATOM 205 O LEU A 12 -1.151 2.367 13.621 1.00 0.00 O ATOM 206 CB LEU A 12 -1.745 -0.658 12.438 1.00 0.00 C ATOM 207 CG LEU A 12 -1.502 -0.785 10.888 1.00 0.00 C ATOM 208 CD1 LEU A 12 -0.231 -0.032 10.417 1.00 0.00 C ATOM 209 CD2 LEU A 12 -1.484 -2.262 10.429 1.00 0.00 C ATOM 0 H LEU A 12 -4.055 -0.121 11.540 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.728 0.434 14.017 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.773 -0.605 12.927 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.224 -1.576 12.779 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.350 -0.298 10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.114 -0.154 9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.327 1.028 10.653 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.643 -0.439 10.926 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.314 -2.307 9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.685 -2.794 10.945 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.441 -2.728 10.665 1.00 0.00 H new ATOM 221 N SER A 13 -2.066 2.509 11.538 1.00 0.00 N ATOM 222 CA SER A 13 -1.639 3.910 11.278 1.00 0.00 C ATOM 223 C SER A 13 -2.188 4.884 12.358 1.00 0.00 C ATOM 224 O SER A 13 -1.422 5.627 12.958 1.00 0.00 O ATOM 225 CB SER A 13 -2.089 4.352 9.863 1.00 0.00 C ATOM 226 OG SER A 13 -1.521 3.516 8.866 1.00 0.00 O ATOM 0 H SER A 13 -2.493 2.047 10.736 1.00 0.00 H new ATOM 0 HA SER A 13 -0.551 3.945 11.329 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.176 4.318 9.796 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.791 5.386 9.689 1.00 0.00 H new ATOM 0 HG SER A 13 -2.020 2.673 8.823 1.00 0.00 H new ATOM 232 N ASP A 14 -3.522 4.858 12.560 1.00 0.00 N ATOM 233 CA ASP A 14 -4.216 5.597 13.659 1.00 0.00 C ATOM 234 C ASP A 14 -3.599 5.305 15.050 1.00 0.00 C ATOM 235 O ASP A 14 -3.510 6.206 15.894 1.00 0.00 O ATOM 236 CB ASP A 14 -5.730 5.211 13.665 1.00 0.00 C ATOM 237 CG ASP A 14 -6.514 5.767 14.877 1.00 0.00 C ATOM 238 OD1 ASP A 14 -6.796 6.986 14.911 1.00 0.00 O ATOM 239 OD2 ASP A 14 -6.855 4.984 15.801 1.00 0.00 O ATOM 0 H ASP A 14 -4.159 4.325 11.968 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.094 6.663 13.468 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.192 5.576 12.748 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.818 4.125 13.655 1.00 0.00 H new ATOM 244 N ARG A 15 -3.173 4.040 15.242 1.00 0.00 N ATOM 245 CA ARG A 15 -2.618 3.591 16.540 1.00 0.00 C ATOM 246 C ARG A 15 -1.298 4.326 16.841 1.00 0.00 C ATOM 247 O ARG A 15 -1.169 5.016 17.866 1.00 0.00 O ATOM 248 CB ARG A 15 -2.399 2.050 16.592 1.00 0.00 C ATOM 249 CG ARG A 15 -2.121 1.523 18.020 1.00 0.00 C ATOM 250 CD ARG A 15 -3.290 1.826 18.976 1.00 0.00 C ATOM 251 NE ARG A 15 -2.905 1.738 20.395 1.00 0.00 N ATOM 252 CZ ARG A 15 -3.148 2.676 21.322 1.00 0.00 C ATOM 253 NH1 ARG A 15 -3.722 3.835 20.992 1.00 0.00 N ATOM 254 NH2 ARG A 15 -2.834 2.438 22.587 1.00 0.00 N ATOM 0 H ARG A 15 -3.201 3.316 14.524 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.354 3.838 17.305 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.281 1.550 16.192 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.563 1.786 15.945 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.950 0.447 17.984 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.209 1.978 18.405 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.672 2.826 18.769 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.103 1.127 18.781 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.414 0.896 20.697 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.983 4.017 20.023 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.900 4.538 21.709 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.411 1.547 22.849 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.015 3.145 23.299 1.00 0.00 H new ATOM 268 N LEU A 16 -0.340 4.184 15.911 1.00 0.00 N ATOM 269 CA LEU A 16 0.996 4.790 16.040 1.00 0.00 C ATOM 270 C LEU A 16 0.881 6.330 16.032 1.00 0.00 C ATOM 271 O LEU A 16 1.572 6.986 16.794 1.00 0.00 O ATOM 272 CB LEU A 16 1.944 4.257 14.905 1.00 0.00 C ATOM 273 CG LEU A 16 3.506 4.304 15.158 1.00 0.00 C ATOM 274 CD1 LEU A 16 4.093 5.724 15.083 1.00 0.00 C ATOM 275 CD2 LEU A 16 3.883 3.624 16.492 1.00 0.00 C ATOM 0 H LEU A 16 -0.468 3.649 15.052 1.00 0.00 H new ATOM 0 HA LEU A 16 1.439 4.501 16.993 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.670 3.222 14.700 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.735 4.828 14.000 1.00 0.00 H new ATOM 0 HG LEU A 16 3.956 3.740 14.341 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.167 5.684 15.266 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.909 6.142 14.093 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.620 6.354 15.837 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.963 3.674 16.634 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.385 4.136 17.315 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.568 2.581 16.470 1.00 0.00 H new ATOM 287 N ASP A 17 0.028 6.883 15.138 1.00 0.00 N ATOM 288 CA ASP A 17 -0.230 8.346 15.069 1.00 0.00 C ATOM 289 C ASP A 17 -0.665 8.919 16.441 1.00 0.00 C ATOM 290 O ASP A 17 -0.083 9.894 16.918 1.00 0.00 O ATOM 291 CB ASP A 17 -1.302 8.665 13.996 1.00 0.00 C ATOM 292 CG ASP A 17 -1.459 10.178 13.729 1.00 0.00 C ATOM 293 OD1 ASP A 17 -0.706 10.724 12.897 1.00 0.00 O ATOM 294 OD2 ASP A 17 -2.306 10.836 14.365 1.00 0.00 O ATOM 0 H ASP A 17 -0.495 6.339 14.452 1.00 0.00 H new ATOM 0 HA ASP A 17 0.708 8.825 14.788 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.037 8.163 13.065 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.261 8.257 14.316 1.00 0.00 H new ATOM 299 N ALA A 18 -1.742 8.357 17.023 1.00 0.00 N ATOM 300 CA ALA A 18 -2.161 8.603 18.422 1.00 0.00 C ATOM 301 C ALA A 18 -0.999 8.554 19.427 1.00 0.00 C ATOM 302 O ALA A 18 -0.894 9.433 20.279 1.00 0.00 O ATOM 303 CB ALA A 18 -3.253 7.605 18.821 1.00 0.00 C ATOM 0 H ALA A 18 -2.356 7.709 16.530 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.552 9.620 18.458 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.557 7.791 19.851 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.113 7.724 18.162 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.867 6.589 18.734 1.00 0.00 H new ATOM 309 N ILE A 19 -0.114 7.550 19.294 1.00 0.00 N ATOM 310 CA ILE A 19 0.985 7.333 20.262 1.00 0.00 C ATOM 311 C ILE A 19 2.115 8.383 20.101 1.00 0.00 C ATOM 312 O ILE A 19 2.599 8.914 21.108 1.00 0.00 O ATOM 313 CB ILE A 19 1.529 5.851 20.215 1.00 0.00 C ATOM 314 CG1 ILE A 19 0.396 4.874 20.692 1.00 0.00 C ATOM 315 CG2 ILE A 19 2.828 5.657 21.059 1.00 0.00 C ATOM 316 CD1 ILE A 19 0.798 3.419 20.772 1.00 0.00 C ATOM 0 H ILE A 19 -0.135 6.876 18.529 1.00 0.00 H new ATOM 0 HA ILE A 19 0.567 7.478 21.258 1.00 0.00 H new ATOM 0 HB ILE A 19 1.805 5.625 19.185 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.051 5.194 21.675 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.451 4.964 20.012 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.156 4.620 20.989 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.611 6.311 20.677 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.625 5.904 22.101 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.051 2.825 21.110 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.113 3.074 19.787 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.622 3.308 21.476 1.00 0.00 H new ATOM 328 N ARG A 20 2.526 8.710 18.856 1.00 0.00 N ATOM 329 CA ARG A 20 3.535 9.752 18.583 1.00 0.00 C ATOM 330 C ARG A 20 3.042 11.141 19.027 1.00 0.00 C ATOM 331 O ARG A 20 3.825 11.932 19.572 1.00 0.00 O ATOM 332 CB ARG A 20 3.993 9.722 17.079 1.00 0.00 C ATOM 333 CG ARG A 20 2.910 10.022 15.996 1.00 0.00 C ATOM 334 CD ARG A 20 2.703 11.529 15.718 1.00 0.00 C ATOM 335 NE ARG A 20 1.404 11.839 15.080 1.00 0.00 N ATOM 336 CZ ARG A 20 0.831 13.064 15.065 1.00 0.00 C ATOM 337 NH1 ARG A 20 1.410 14.106 15.656 1.00 0.00 N ATOM 338 NH2 ARG A 20 -0.327 13.240 14.466 1.00 0.00 N ATOM 0 H ARG A 20 2.167 8.259 18.015 1.00 0.00 H new ATOM 0 HA ARG A 20 4.419 9.532 19.182 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.801 10.444 16.958 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.412 8.737 16.873 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.192 9.527 15.067 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.962 9.588 16.314 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.777 12.077 16.657 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.508 11.886 15.076 1.00 0.00 H new ATOM 0 HE ARG A 20 0.907 11.076 14.620 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.304 13.990 16.133 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.960 15.021 15.632 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.792 12.453 14.013 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.760 14.163 14.454 1.00 0.00 H new ATOM 352 N HIS A 21 1.744 11.443 18.795 1.00 0.00 N ATOM 353 CA HIS A 21 1.102 12.684 19.248 1.00 0.00 C ATOM 354 C HIS A 21 1.073 12.753 20.769 1.00 0.00 C ATOM 355 O HIS A 21 1.321 13.794 21.349 1.00 0.00 O ATOM 356 CB HIS A 21 -0.349 12.739 18.704 1.00 0.00 C ATOM 357 CG HIS A 21 -0.983 14.093 18.834 1.00 0.00 C ATOM 358 ND1 HIS A 21 -1.733 14.477 19.921 1.00 0.00 N ATOM 359 CD2 HIS A 21 -0.950 15.168 18.011 1.00 0.00 C ATOM 360 CE1 HIS A 21 -2.139 15.717 19.758 1.00 0.00 C ATOM 361 NE2 HIS A 21 -1.676 16.162 18.609 1.00 0.00 N ATOM 0 H HIS A 21 1.114 10.824 18.284 1.00 0.00 H new ATOM 0 HA HIS A 21 1.676 13.531 18.872 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.347 12.446 17.654 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -0.957 12.008 19.237 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -1.942 13.890 20.729 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -0.444 15.229 17.059 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.750 16.277 20.451 1.00 0.00 H new ATOM 370 N GLN A 22 0.743 11.607 21.367 1.00 0.00 N ATOM 371 CA GLN A 22 0.690 11.407 22.826 1.00 0.00 C ATOM 372 C GLN A 22 2.033 11.768 23.476 1.00 0.00 C ATOM 373 O GLN A 22 2.069 12.364 24.541 1.00 0.00 O ATOM 374 CB GLN A 22 0.307 9.936 23.120 1.00 0.00 C ATOM 375 CG GLN A 22 0.476 9.475 24.571 1.00 0.00 C ATOM 376 CD GLN A 22 0.214 7.982 24.779 1.00 0.00 C ATOM 377 OE1 GLN A 22 -0.254 7.565 25.839 1.00 0.00 O ATOM 378 NE2 GLN A 22 0.576 7.158 23.801 1.00 0.00 N ATOM 0 H GLN A 22 0.498 10.768 20.841 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.065 12.066 23.255 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.734 9.788 22.831 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.910 9.290 22.482 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.489 9.706 24.900 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.203 10.045 25.205 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.961 7.533 22.934 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.469 6.150 23.917 1.00 0.00 H new ATOM 387 N GLN A 23 3.122 11.393 22.803 1.00 0.00 N ATOM 388 CA GLN A 23 4.492 11.694 23.265 1.00 0.00 C ATOM 389 C GLN A 23 4.951 13.101 22.860 1.00 0.00 C ATOM 390 O GLN A 23 6.006 13.547 23.302 1.00 0.00 O ATOM 391 CB GLN A 23 5.449 10.623 22.718 1.00 0.00 C ATOM 392 CG GLN A 23 5.128 9.231 23.263 1.00 0.00 C ATOM 393 CD GLN A 23 5.852 8.116 22.538 1.00 0.00 C ATOM 394 OE1 GLN A 23 5.334 7.555 21.584 1.00 0.00 O ATOM 395 NE2 GLN A 23 7.057 7.793 22.975 1.00 0.00 N ATOM 0 H GLN A 23 3.088 10.874 21.926 1.00 0.00 H new ATOM 0 HA GLN A 23 4.499 11.675 24.355 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.391 10.608 21.630 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.474 10.886 22.979 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.388 9.195 24.321 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.054 9.061 23.193 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.458 8.283 23.775 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.586 7.054 22.513 1.00 0.00 H new ATOM 404 N ALA A 24 4.241 13.736 21.916 1.00 0.00 N ATOM 405 CA ALA A 24 4.362 15.203 21.699 1.00 0.00 C ATOM 406 C ALA A 24 3.432 15.997 22.656 1.00 0.00 C ATOM 407 O ALA A 24 3.573 17.215 22.796 1.00 0.00 O ATOM 408 CB ALA A 24 4.065 15.542 20.236 1.00 0.00 C ATOM 0 H ALA A 24 3.581 13.272 21.292 1.00 0.00 H new ATOM 0 HA ALA A 24 5.386 15.500 21.926 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.156 16.618 20.086 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.775 15.025 19.591 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.052 15.225 19.988 1.00 0.00 H new ATOM 414 N ASP A 25 2.473 15.287 23.292 1.00 0.00 N ATOM 415 CA ASP A 25 1.632 15.856 24.370 1.00 0.00 C ATOM 416 C ASP A 25 2.392 15.703 25.698 1.00 0.00 C ATOM 417 O ASP A 25 2.211 16.476 26.636 1.00 0.00 O ATOM 418 CB ASP A 25 0.267 15.122 24.489 1.00 0.00 C ATOM 419 CG ASP A 25 -0.659 15.276 23.271 1.00 0.00 C ATOM 420 OD1 ASP A 25 -0.818 16.414 22.780 1.00 0.00 O ATOM 421 OD2 ASP A 25 -1.248 14.269 22.808 1.00 0.00 O ATOM 0 H ASP A 25 2.261 14.313 23.076 1.00 0.00 H new ATOM 0 HA ASP A 25 1.431 16.902 24.138 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.455 14.061 24.653 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.253 15.494 25.372 1.00 0.00 H new ATOM 426 N LEU A 26 3.216 14.643 25.738 1.00 0.00 N ATOM 427 CA LEU A 26 4.110 14.387 26.876 1.00 0.00 C ATOM 428 C LEU A 26 5.532 14.812 26.520 1.00 0.00 C ATOM 429 O LEU A 26 5.842 15.111 25.370 1.00 0.00 O ATOM 430 CB LEU A 26 4.090 12.895 27.312 1.00 0.00 C ATOM 431 CG LEU A 26 2.695 12.285 27.666 1.00 0.00 C ATOM 432 CD1 LEU A 26 2.852 10.901 28.311 1.00 0.00 C ATOM 433 CD2 LEU A 26 1.857 13.216 28.564 1.00 0.00 C ATOM 0 H LEU A 26 3.280 13.949 24.993 1.00 0.00 H new ATOM 0 HA LEU A 26 3.750 14.975 27.720 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.528 12.300 26.510 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.739 12.786 28.181 1.00 0.00 H new ATOM 0 HG LEU A 26 2.150 12.173 26.728 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.868 10.497 28.549 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.362 10.232 27.617 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.438 10.990 29.226 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.898 12.746 28.781 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.390 13.399 29.497 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.689 14.163 28.050 1.00 0.00 H new ATOM 445 N SER A 27 6.361 14.889 27.550 1.00 0.00 N ATOM 446 CA SER A 27 7.781 15.188 27.415 1.00 0.00 C ATOM 447 C SER A 27 8.582 14.257 28.322 1.00 0.00 C ATOM 448 O SER A 27 8.051 13.716 29.302 1.00 0.00 O ATOM 449 CB SER A 27 8.050 16.669 27.768 1.00 0.00 C ATOM 450 OG SER A 27 9.429 16.992 27.720 1.00 0.00 O ATOM 0 H SER A 27 6.064 14.744 28.515 1.00 0.00 H new ATOM 0 HA SER A 27 8.092 15.027 26.383 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.505 17.310 27.075 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.665 16.878 28.766 1.00 0.00 H new ATOM 0 HG SER A 27 9.552 17.937 27.948 1.00 0.00 H new ATOM 456 N LEU A 28 9.859 14.072 27.969 1.00 0.00 N ATOM 457 CA LEU A 28 10.849 13.377 28.811 1.00 0.00 C ATOM 458 C LEU A 28 11.063 14.133 30.144 1.00 0.00 C ATOM 459 O LEU A 28 11.456 13.541 31.148 1.00 0.00 O ATOM 460 CB LEU A 28 12.190 13.124 28.012 1.00 0.00 C ATOM 461 CG LEU A 28 13.143 14.322 27.608 1.00 0.00 C ATOM 462 CD1 LEU A 28 12.409 15.499 26.944 1.00 0.00 C ATOM 463 CD2 LEU A 28 14.031 14.785 28.778 1.00 0.00 C ATOM 0 H LEU A 28 10.242 14.402 27.083 1.00 0.00 H new ATOM 0 HA LEU A 28 10.462 12.393 29.076 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.786 12.429 28.603 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.919 12.608 27.091 1.00 0.00 H new ATOM 0 HG LEU A 28 13.803 13.916 26.842 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.126 16.281 26.695 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.918 15.155 26.034 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.662 15.896 27.631 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.666 15.608 28.450 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.401 15.119 29.603 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.655 13.956 29.111 1.00 0.00 H new ATOM 475 N VAL A 29 10.788 15.455 30.123 1.00 0.00 N ATOM 476 CA VAL A 29 10.908 16.340 31.297 1.00 0.00 C ATOM 477 C VAL A 29 9.694 16.156 32.240 1.00 0.00 C ATOM 478 O VAL A 29 9.863 15.856 33.426 1.00 0.00 O ATOM 479 CB VAL A 29 11.027 17.851 30.849 1.00 0.00 C ATOM 480 CG1 VAL A 29 11.263 18.795 32.052 1.00 0.00 C ATOM 481 CG2 VAL A 29 12.135 18.031 29.780 1.00 0.00 C ATOM 0 H VAL A 29 10.474 15.940 29.282 1.00 0.00 H new ATOM 0 HA VAL A 29 11.815 16.068 31.837 1.00 0.00 H new ATOM 0 HB VAL A 29 10.072 18.128 30.401 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.339 19.823 31.698 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.429 18.711 32.749 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.188 18.516 32.557 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.194 19.080 29.491 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.093 17.713 30.192 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.898 17.426 28.905 1.00 0.00 H new ATOM 491 N GLU A 30 8.468 16.286 31.681 1.00 0.00 N ATOM 492 CA GLU A 30 7.223 16.335 32.498 1.00 0.00 C ATOM 493 C GLU A 30 6.784 14.924 32.953 1.00 0.00 C ATOM 494 O GLU A 30 6.231 14.761 34.044 1.00 0.00 O ATOM 495 CB GLU A 30 6.072 17.045 31.718 1.00 0.00 C ATOM 496 CG GLU A 30 5.567 16.272 30.480 1.00 0.00 C ATOM 497 CD GLU A 30 4.517 17.029 29.645 1.00 0.00 C ATOM 498 OE1 GLU A 30 3.332 17.023 30.032 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.868 17.618 28.595 1.00 0.00 O ATOM 0 H GLU A 30 8.310 16.359 30.676 1.00 0.00 H new ATOM 0 HA GLU A 30 7.443 16.917 33.393 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.235 17.205 32.397 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.418 18.029 31.401 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.418 16.034 29.842 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.139 15.324 30.807 1.00 0.00 H new ATOM 506 N ALA A 31 7.046 13.915 32.110 1.00 0.00 N ATOM 507 CA ALA A 31 6.632 12.526 32.353 1.00 0.00 C ATOM 508 C ALA A 31 7.749 11.591 31.879 1.00 0.00 C ATOM 509 O ALA A 31 7.630 10.967 30.838 1.00 0.00 O ATOM 510 CB ALA A 31 5.278 12.233 31.658 1.00 0.00 C ATOM 0 H ALA A 31 7.554 14.041 31.235 1.00 0.00 H new ATOM 0 HA ALA A 31 6.474 12.358 33.418 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.987 11.200 31.849 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.514 12.904 32.052 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.379 12.389 30.584 1.00 0.00 H new ATOM 516 N ALA A 32 8.860 11.570 32.643 1.00 0.00 N ATOM 517 CA ALA A 32 10.095 10.834 32.303 1.00 0.00 C ATOM 518 C ALA A 32 9.843 9.349 31.984 1.00 0.00 C ATOM 519 O ALA A 32 10.121 8.902 30.862 1.00 0.00 O ATOM 520 CB ALA A 32 11.128 10.987 33.435 1.00 0.00 C ATOM 0 H ALA A 32 8.925 12.072 33.528 1.00 0.00 H new ATOM 0 HA ALA A 32 10.492 11.276 31.389 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.035 10.441 33.176 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.366 12.042 33.571 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.715 10.586 34.361 1.00 0.00 H new ATOM 526 N ASP A 33 9.297 8.595 32.959 1.00 0.00 N ATOM 527 CA ASP A 33 9.115 7.138 32.842 1.00 0.00 C ATOM 528 C ASP A 33 7.964 6.799 31.885 1.00 0.00 C ATOM 529 O ASP A 33 8.094 5.894 31.073 1.00 0.00 O ATOM 530 CB ASP A 33 8.845 6.506 34.233 1.00 0.00 C ATOM 531 CG ASP A 33 8.714 4.971 34.167 1.00 0.00 C ATOM 532 OD1 ASP A 33 9.758 4.289 34.117 1.00 0.00 O ATOM 533 OD2 ASP A 33 7.573 4.450 34.153 1.00 0.00 O ATOM 0 H ASP A 33 8.971 8.979 33.846 1.00 0.00 H new ATOM 0 HA ASP A 33 10.037 6.722 32.436 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.656 6.770 34.912 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.930 6.928 34.649 1.00 0.00 H new ATOM 538 N LYS A 34 6.818 7.488 32.057 1.00 0.00 N ATOM 539 CA LYS A 34 5.648 7.361 31.153 1.00 0.00 C ATOM 540 C LYS A 34 6.076 7.504 29.662 1.00 0.00 C ATOM 541 O LYS A 34 5.700 6.686 28.825 1.00 0.00 O ATOM 542 CB LYS A 34 4.566 8.424 31.546 1.00 0.00 C ATOM 543 CG LYS A 34 3.085 7.983 31.382 1.00 0.00 C ATOM 544 CD LYS A 34 2.680 7.647 29.935 1.00 0.00 C ATOM 545 CE LYS A 34 1.189 7.304 29.797 1.00 0.00 C ATOM 546 NZ LYS A 34 0.798 7.061 28.388 1.00 0.00 N ATOM 0 H LYS A 34 6.674 8.147 32.822 1.00 0.00 H new ATOM 0 HA LYS A 34 5.215 6.367 31.266 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.726 8.709 32.586 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.727 9.317 30.942 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.907 7.109 32.009 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.438 8.778 31.752 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.914 8.495 29.291 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.276 6.805 29.582 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.965 6.419 30.392 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.591 8.120 30.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.031 6.433 28.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.562 7.966 27.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.588 6.613 27.881 1.00 0.00 H new ATOM 560 N TYR A 35 6.908 8.520 29.388 1.00 0.00 N ATOM 561 CA TYR A 35 7.462 8.781 28.042 1.00 0.00 C ATOM 562 C TYR A 35 8.410 7.637 27.621 1.00 0.00 C ATOM 563 O TYR A 35 8.441 7.260 26.455 1.00 0.00 O ATOM 564 CB TYR A 35 8.205 10.141 28.016 1.00 0.00 C ATOM 565 CG TYR A 35 8.904 10.478 26.689 1.00 0.00 C ATOM 566 CD1 TYR A 35 8.185 10.959 25.593 1.00 0.00 C ATOM 567 CD2 TYR A 35 10.288 10.302 26.531 1.00 0.00 C ATOM 568 CE1 TYR A 35 8.815 11.251 24.398 1.00 0.00 C ATOM 569 CE2 TYR A 35 10.916 10.592 25.338 1.00 0.00 C ATOM 570 CZ TYR A 35 10.175 11.066 24.276 1.00 0.00 C ATOM 571 OH TYR A 35 10.797 11.341 23.083 1.00 0.00 O ATOM 0 H TYR A 35 7.219 9.188 30.093 1.00 0.00 H new ATOM 0 HA TYR A 35 6.638 8.827 27.330 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.490 10.932 28.243 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.949 10.146 28.812 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.119 11.105 25.681 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.872 9.932 27.360 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.242 11.623 23.561 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.982 10.449 25.236 1.00 0.00 H new ATOM 0 HH TYR A 35 10.682 10.584 22.472 1.00 0.00 H new ATOM 581 N ALA A 36 9.175 7.129 28.607 1.00 0.00 N ATOM 582 CA ALA A 36 10.148 6.036 28.388 1.00 0.00 C ATOM 583 C ALA A 36 9.451 4.738 27.939 1.00 0.00 C ATOM 584 O ALA A 36 9.868 4.097 26.963 1.00 0.00 O ATOM 585 CB ALA A 36 10.994 5.807 29.650 1.00 0.00 C ATOM 0 H ALA A 36 9.138 7.460 29.571 1.00 0.00 H new ATOM 0 HA ALA A 36 10.815 6.338 27.580 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.704 5.000 29.471 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.537 6.720 29.895 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.342 5.539 30.481 1.00 0.00 H new ATOM 591 N GLU A 37 8.363 4.362 28.628 1.00 0.00 N ATOM 592 CA GLU A 37 7.506 3.227 28.307 1.00 0.00 C ATOM 593 C GLU A 37 6.840 3.409 26.950 1.00 0.00 C ATOM 594 O GLU A 37 6.718 2.479 26.205 1.00 0.00 O ATOM 595 CB GLU A 37 6.421 3.089 29.409 1.00 0.00 C ATOM 596 CG GLU A 37 6.973 2.792 30.814 1.00 0.00 C ATOM 597 CD GLU A 37 7.525 1.365 30.954 1.00 0.00 C ATOM 598 OE1 GLU A 37 6.720 0.439 31.194 1.00 0.00 O ATOM 599 OE2 GLU A 37 8.747 1.155 30.814 1.00 0.00 O ATOM 0 H GLU A 37 8.049 4.866 29.457 1.00 0.00 H new ATOM 0 HA GLU A 37 8.117 2.325 28.264 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.841 4.011 29.448 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.734 2.292 29.126 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.764 3.506 31.046 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.182 2.943 31.548 1.00 0.00 H new ATOM 606 N LEU A 38 6.337 4.615 26.725 1.00 0.00 N ATOM 607 CA LEU A 38 5.760 4.990 25.419 1.00 0.00 C ATOM 608 C LEU A 38 6.775 4.870 24.256 1.00 0.00 C ATOM 609 O LEU A 38 6.377 4.559 23.136 1.00 0.00 O ATOM 610 CB LEU A 38 5.143 6.390 25.478 1.00 0.00 C ATOM 611 CG LEU A 38 3.849 6.527 26.325 1.00 0.00 C ATOM 612 CD1 LEU A 38 3.361 7.986 26.330 1.00 0.00 C ATOM 613 CD2 LEU A 38 2.750 5.550 25.840 1.00 0.00 C ATOM 0 H LEU A 38 6.312 5.358 27.423 1.00 0.00 H new ATOM 0 HA LEU A 38 4.968 4.272 25.207 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.889 7.078 25.876 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.923 6.712 24.460 1.00 0.00 H new ATOM 0 HG LEU A 38 4.082 6.251 27.354 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.453 8.064 26.928 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.133 8.626 26.757 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.151 8.303 25.308 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.858 5.672 26.454 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.506 5.764 24.799 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.111 4.525 25.924 1.00 0.00 H new ATOM 625 N GLU A 39 8.056 5.184 24.516 1.00 0.00 N ATOM 626 CA GLU A 39 9.167 4.904 23.578 1.00 0.00 C ATOM 627 C GLU A 39 9.297 3.387 23.303 1.00 0.00 C ATOM 628 O GLU A 39 9.640 2.988 22.192 1.00 0.00 O ATOM 629 CB GLU A 39 10.506 5.472 24.123 1.00 0.00 C ATOM 630 CG GLU A 39 10.650 7.008 24.053 1.00 0.00 C ATOM 631 CD GLU A 39 10.562 7.572 22.620 1.00 0.00 C ATOM 632 OE1 GLU A 39 11.391 7.189 21.772 1.00 0.00 O ATOM 633 OE2 GLU A 39 9.687 8.416 22.338 1.00 0.00 O ATOM 0 H GLU A 39 8.354 5.638 25.379 1.00 0.00 H new ATOM 0 HA GLU A 39 8.938 5.401 22.635 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.618 5.160 25.162 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.327 5.021 23.565 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.871 7.466 24.663 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.607 7.295 24.489 1.00 0.00 H new ATOM 640 N LYS A 40 9.038 2.573 24.341 1.00 0.00 N ATOM 641 CA LYS A 40 9.068 1.086 24.239 1.00 0.00 C ATOM 642 C LYS A 40 7.824 0.526 23.483 1.00 0.00 C ATOM 643 O LYS A 40 7.964 -0.366 22.654 1.00 0.00 O ATOM 644 CB LYS A 40 9.173 0.457 25.650 1.00 0.00 C ATOM 645 CG LYS A 40 10.407 0.919 26.451 1.00 0.00 C ATOM 646 CD LYS A 40 10.429 0.367 27.887 1.00 0.00 C ATOM 647 CE LYS A 40 11.594 0.932 28.717 1.00 0.00 C ATOM 648 NZ LYS A 40 11.596 0.410 30.104 1.00 0.00 N ATOM 0 H LYS A 40 8.802 2.915 25.273 1.00 0.00 H new ATOM 0 HA LYS A 40 9.949 0.813 23.658 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.273 0.703 26.214 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.201 -0.628 25.552 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.311 0.602 25.931 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.425 2.008 26.485 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.487 0.607 28.379 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.504 -0.720 27.854 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.538 0.680 28.234 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.528 2.020 28.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.334 0.892 30.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.668 0.583 30.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.787 -0.612 30.090 1.00 0.00 H new ATOM 662 N GLU A 41 6.619 1.004 23.859 1.00 0.00 N ATOM 663 CA GLU A 41 5.345 0.706 23.150 1.00 0.00 C ATOM 664 C GLU A 41 5.448 1.036 21.657 1.00 0.00 C ATOM 665 O GLU A 41 5.009 0.262 20.805 1.00 0.00 O ATOM 666 CB GLU A 41 4.166 1.510 23.772 1.00 0.00 C ATOM 667 CG GLU A 41 3.874 1.194 25.248 1.00 0.00 C ATOM 668 CD GLU A 41 3.590 -0.295 25.498 1.00 0.00 C ATOM 669 OE1 GLU A 41 2.570 -0.812 24.985 1.00 0.00 O ATOM 670 OE2 GLU A 41 4.377 -0.959 26.203 1.00 0.00 O ATOM 0 H GLU A 41 6.496 1.613 24.668 1.00 0.00 H new ATOM 0 HA GLU A 41 5.155 -0.361 23.262 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.382 2.574 23.679 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.266 1.316 23.189 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.725 1.503 25.855 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.017 1.782 25.577 1.00 0.00 H new ATOM 677 N LYS A 42 6.024 2.212 21.392 1.00 0.00 N ATOM 678 CA LYS A 42 6.323 2.669 20.037 1.00 0.00 C ATOM 679 C LYS A 42 7.299 1.685 19.367 1.00 0.00 C ATOM 680 O LYS A 42 7.018 1.184 18.296 1.00 0.00 O ATOM 681 CB LYS A 42 6.942 4.085 20.066 1.00 0.00 C ATOM 682 CG LYS A 42 7.256 4.679 18.673 1.00 0.00 C ATOM 683 CD LYS A 42 8.182 5.911 18.752 1.00 0.00 C ATOM 684 CE LYS A 42 7.600 7.022 19.619 1.00 0.00 C ATOM 685 NZ LYS A 42 8.518 8.168 19.786 1.00 0.00 N ATOM 0 H LYS A 42 6.296 2.875 22.117 1.00 0.00 H new ATOM 0 HA LYS A 42 5.396 2.709 19.466 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.258 4.756 20.587 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.863 4.053 20.649 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.725 3.915 18.053 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.324 4.960 18.183 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.149 5.610 19.154 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.359 6.294 17.747 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.669 7.372 19.174 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.352 6.617 20.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.852 8.205 20.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.332 8.057 19.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.017 9.050 19.557 1.00 0.00 H new ATOM 699 N ALA A 43 8.423 1.410 20.062 1.00 0.00 N ATOM 700 CA ALA A 43 9.508 0.530 19.577 1.00 0.00 C ATOM 701 C ALA A 43 8.996 -0.868 19.169 1.00 0.00 C ATOM 702 O ALA A 43 9.332 -1.361 18.087 1.00 0.00 O ATOM 703 CB ALA A 43 10.626 0.414 20.628 1.00 0.00 C ATOM 0 H ALA A 43 8.605 1.798 20.988 1.00 0.00 H new ATOM 0 HA ALA A 43 9.916 0.994 18.679 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.414 -0.238 20.251 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.039 1.402 20.831 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.218 -0.005 21.548 1.00 0.00 H new ATOM 709 N THR A 44 8.147 -1.487 20.003 1.00 0.00 N ATOM 710 CA THR A 44 7.527 -2.794 19.801 1.00 0.00 C ATOM 711 C THR A 44 6.503 -2.741 18.668 1.00 0.00 C ATOM 712 O THR A 44 6.416 -3.671 17.881 1.00 0.00 O ATOM 713 CB THR A 44 6.837 -3.265 21.124 1.00 0.00 C ATOM 714 OG1 THR A 44 7.799 -3.270 22.193 1.00 0.00 O ATOM 715 CG2 THR A 44 6.193 -4.667 21.003 1.00 0.00 C ATOM 0 H THR A 44 7.862 -1.060 20.885 1.00 0.00 H new ATOM 0 HA THR A 44 8.305 -3.506 19.526 1.00 0.00 H new ATOM 0 HB THR A 44 6.033 -2.560 21.333 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.977 -2.349 22.477 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.731 -4.938 21.952 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.434 -4.653 20.221 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.960 -5.399 20.751 1.00 0.00 H new ATOM 723 N LEU A 45 5.694 -1.666 18.663 1.00 0.00 N ATOM 724 CA LEU A 45 4.822 -1.410 17.499 1.00 0.00 C ATOM 725 C LEU A 45 5.654 -1.418 16.200 1.00 0.00 C ATOM 726 O LEU A 45 5.325 -2.149 15.298 1.00 0.00 O ATOM 727 CB LEU A 45 3.981 -0.108 17.608 1.00 0.00 C ATOM 728 CG LEU A 45 2.671 -0.192 18.462 1.00 0.00 C ATOM 729 CD1 LEU A 45 1.866 1.114 18.355 1.00 0.00 C ATOM 730 CD2 LEU A 45 1.801 -1.411 18.064 1.00 0.00 C ATOM 0 H LEU A 45 5.624 -0.984 19.418 1.00 0.00 H new ATOM 0 HA LEU A 45 4.096 -2.223 17.479 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.614 0.673 18.030 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.712 0.210 16.601 1.00 0.00 H new ATOM 0 HG LEU A 45 2.967 -0.331 19.502 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.960 1.033 18.956 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.470 1.945 18.719 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.596 1.291 17.314 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.902 -1.433 18.680 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.520 -1.330 17.014 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.369 -2.329 18.218 1.00 0.00 H new ATOM 742 N GLU A 46 6.774 -0.673 16.155 1.00 0.00 N ATOM 743 CA GLU A 46 7.660 -0.584 14.982 1.00 0.00 C ATOM 744 C GLU A 46 8.389 -1.915 14.700 1.00 0.00 C ATOM 745 O GLU A 46 8.718 -2.202 13.549 1.00 0.00 O ATOM 746 CB GLU A 46 8.678 0.565 15.165 1.00 0.00 C ATOM 747 CG GLU A 46 8.020 1.929 15.400 1.00 0.00 C ATOM 748 CD GLU A 46 9.032 3.078 15.511 1.00 0.00 C ATOM 749 OE1 GLU A 46 9.581 3.289 16.611 1.00 0.00 O ATOM 750 OE2 GLU A 46 9.302 3.756 14.496 1.00 0.00 O ATOM 0 H GLU A 46 7.092 -0.109 16.943 1.00 0.00 H new ATOM 0 HA GLU A 46 7.034 -0.372 14.116 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.328 0.333 16.008 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.312 0.623 14.280 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.331 2.138 14.582 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.427 1.886 16.314 1.00 0.00 H new ATOM 757 N ALA A 47 8.542 -2.763 15.735 1.00 0.00 N ATOM 758 CA ALA A 47 9.274 -4.044 15.671 1.00 0.00 C ATOM 759 C ALA A 47 8.369 -5.109 15.043 1.00 0.00 C ATOM 760 O ALA A 47 8.769 -5.812 14.115 1.00 0.00 O ATOM 761 CB ALA A 47 9.758 -4.477 17.069 1.00 0.00 C ATOM 0 H ALA A 47 8.152 -2.573 16.658 1.00 0.00 H new ATOM 0 HA ALA A 47 10.161 -3.919 15.050 1.00 0.00 H new ATOM 0 HB1 ALA A 47 10.294 -5.423 16.992 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.423 -3.715 17.476 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.900 -4.599 17.730 1.00 0.00 H new ATOM 767 N GLU A 48 7.141 -5.185 15.569 1.00 0.00 N ATOM 768 CA GLU A 48 6.002 -5.976 15.104 1.00 0.00 C ATOM 769 C GLU A 48 5.628 -5.624 13.658 1.00 0.00 C ATOM 770 O GLU A 48 5.691 -6.459 12.782 1.00 0.00 O ATOM 771 CB GLU A 48 4.802 -5.642 16.052 1.00 0.00 C ATOM 772 CG GLU A 48 3.463 -6.340 15.743 1.00 0.00 C ATOM 773 CD GLU A 48 3.390 -7.776 16.293 1.00 0.00 C ATOM 774 OE1 GLU A 48 3.116 -7.944 17.498 1.00 0.00 O ATOM 775 OE2 GLU A 48 3.607 -8.741 15.536 1.00 0.00 O ATOM 0 H GLU A 48 6.901 -4.648 16.402 1.00 0.00 H new ATOM 0 HA GLU A 48 6.252 -7.037 15.124 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.092 -5.897 17.071 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.638 -4.565 16.027 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.648 -5.753 16.166 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.312 -6.362 14.664 1.00 0.00 H new ATOM 782 N ILE A 49 5.223 -4.358 13.485 1.00 0.00 N ATOM 783 CA ILE A 49 4.694 -3.899 12.187 1.00 0.00 C ATOM 784 C ILE A 49 5.737 -4.074 11.068 1.00 0.00 C ATOM 785 O ILE A 49 5.363 -4.480 9.969 1.00 0.00 O ATOM 786 CB ILE A 49 4.087 -2.439 12.182 1.00 0.00 C ATOM 787 CG1 ILE A 49 5.189 -1.336 12.331 1.00 0.00 C ATOM 788 CG2 ILE A 49 2.978 -2.307 13.264 1.00 0.00 C ATOM 789 CD1 ILE A 49 4.671 0.082 12.509 1.00 0.00 C ATOM 0 H ILE A 49 5.249 -3.643 14.212 1.00 0.00 H new ATOM 0 HA ILE A 49 3.842 -4.550 11.991 1.00 0.00 H new ATOM 0 HB ILE A 49 3.628 -2.274 11.207 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.816 -1.586 13.187 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.828 -1.363 11.449 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.571 -1.296 13.247 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.182 -3.022 13.058 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.403 -2.510 14.247 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.513 0.768 12.603 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.070 0.361 11.643 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.058 0.135 13.409 1.00 0.00 H new ATOM 801 N ALA A 50 7.043 -3.774 11.315 1.00 0.00 N ATOM 802 CA ALA A 50 8.120 -4.051 10.352 1.00 0.00 C ATOM 803 C ALA A 50 8.423 -5.556 10.182 1.00 0.00 C ATOM 804 O ALA A 50 8.826 -5.969 9.099 1.00 0.00 O ATOM 805 CB ALA A 50 9.382 -3.291 10.755 1.00 0.00 C ATOM 0 H ALA A 50 7.365 -3.339 12.180 1.00 0.00 H new ATOM 0 HA ALA A 50 7.771 -3.704 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.177 -3.500 10.039 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.175 -2.221 10.766 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.697 -3.609 11.749 1.00 0.00 H new ATOM 811 N ARG A 51 8.267 -6.376 11.249 1.00 0.00 N ATOM 812 CA ARG A 51 8.417 -7.852 11.169 1.00 0.00 C ATOM 813 C ARG A 51 7.349 -8.431 10.224 1.00 0.00 C ATOM 814 O ARG A 51 7.631 -9.244 9.354 1.00 0.00 O ATOM 815 CB ARG A 51 8.310 -8.517 12.575 1.00 0.00 C ATOM 816 CG ARG A 51 8.658 -10.027 12.602 1.00 0.00 C ATOM 817 CD ARG A 51 10.141 -10.276 12.279 1.00 0.00 C ATOM 818 NE ARG A 51 10.473 -11.707 12.162 1.00 0.00 N ATOM 819 CZ ARG A 51 11.702 -12.197 11.944 1.00 0.00 C ATOM 820 NH1 ARG A 51 12.750 -11.393 11.788 1.00 0.00 N ATOM 821 NH2 ARG A 51 11.872 -13.501 11.866 1.00 0.00 N ATOM 0 H ARG A 51 8.035 -6.038 12.183 1.00 0.00 H new ATOM 0 HA ARG A 51 9.410 -8.071 10.776 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.974 -7.992 13.262 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.295 -8.385 12.949 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.426 -10.436 13.585 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.035 -10.557 11.881 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.393 -9.773 11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.757 -9.828 13.059 1.00 0.00 H new ATOM 0 HE ARG A 51 9.709 -12.376 12.254 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.628 -10.381 11.833 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.676 -11.788 11.623 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.073 -14.127 11.971 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.802 -13.885 11.700 1.00 0.00 H new ATOM 835 N LEU A 52 6.120 -7.977 10.440 1.00 0.00 N ATOM 836 CA LEU A 52 4.980 -8.230 9.560 1.00 0.00 C ATOM 837 C LEU A 52 5.301 -7.754 8.145 1.00 0.00 C ATOM 838 O LEU A 52 5.063 -8.482 7.192 1.00 0.00 O ATOM 839 CB LEU A 52 3.677 -7.567 10.116 1.00 0.00 C ATOM 840 CG LEU A 52 2.837 -8.428 11.116 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.208 -9.644 10.411 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.672 -8.873 12.331 1.00 0.00 C ATOM 0 H LEU A 52 5.880 -7.408 11.252 1.00 0.00 H new ATOM 0 HA LEU A 52 4.795 -9.304 9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.951 -6.636 10.612 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.040 -7.303 9.272 1.00 0.00 H new ATOM 0 HG LEU A 52 2.032 -7.794 11.486 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.630 -10.223 11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.552 -9.301 9.611 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.996 -10.269 9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.051 -9.468 13.001 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.518 -9.471 11.992 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.039 -7.994 12.862 1.00 0.00 H new ATOM 854 N ARG A 53 5.899 -6.558 7.997 1.00 0.00 N ATOM 855 CA ARG A 53 6.262 -5.979 6.699 1.00 0.00 C ATOM 856 C ARG A 53 7.662 -6.422 6.212 1.00 0.00 C ATOM 857 O ARG A 53 8.164 -5.844 5.263 1.00 0.00 O ATOM 858 CB ARG A 53 6.176 -4.432 6.781 1.00 0.00 C ATOM 859 CG ARG A 53 4.732 -3.863 6.849 1.00 0.00 C ATOM 860 CD ARG A 53 4.718 -2.336 7.019 1.00 0.00 C ATOM 861 NE ARG A 53 5.520 -1.679 5.969 1.00 0.00 N ATOM 862 CZ ARG A 53 5.909 -0.399 5.959 1.00 0.00 C ATOM 863 NH1 ARG A 53 5.526 0.440 6.905 1.00 0.00 N ATOM 864 NH2 ARG A 53 6.694 0.034 4.987 1.00 0.00 N ATOM 0 H ARG A 53 6.145 -5.962 8.788 1.00 0.00 H new ATOM 0 HA ARG A 53 5.550 -6.353 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.725 -4.098 7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.678 -4.008 5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.195 -4.131 5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.200 -4.325 7.681 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.692 -1.972 6.979 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.112 -2.072 8.001 1.00 0.00 H new ATOM 0 HE ARG A 53 5.804 -2.255 5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.923 0.116 7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.833 1.412 6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.998 -0.606 4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.996 1.008 4.971 1.00 0.00 H new ATOM 878 N GLU A 54 8.313 -7.404 6.878 1.00 0.00 N ATOM 879 CA GLU A 54 9.450 -8.151 6.271 1.00 0.00 C ATOM 880 C GLU A 54 8.927 -9.503 5.754 1.00 0.00 C ATOM 881 O GLU A 54 9.421 -10.040 4.767 1.00 0.00 O ATOM 882 CB GLU A 54 10.661 -8.333 7.236 1.00 0.00 C ATOM 883 CG GLU A 54 10.532 -9.434 8.299 1.00 0.00 C ATOM 884 CD GLU A 54 11.836 -9.682 9.068 1.00 0.00 C ATOM 885 OE1 GLU A 54 12.147 -8.904 9.996 1.00 0.00 O ATOM 886 OE2 GLU A 54 12.564 -10.649 8.744 1.00 0.00 O ATOM 0 H GLU A 54 8.077 -7.698 7.826 1.00 0.00 H new ATOM 0 HA GLU A 54 9.841 -7.559 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.547 -8.541 6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.836 -7.386 7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.747 -9.160 9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.219 -10.361 7.818 1.00 0.00 H new ATOM 893 N VAL A 55 7.871 -10.002 6.434 1.00 0.00 N ATOM 894 CA VAL A 55 7.032 -11.106 5.918 1.00 0.00 C ATOM 895 C VAL A 55 6.210 -10.556 4.728 1.00 0.00 C ATOM 896 O VAL A 55 5.844 -11.279 3.814 1.00 0.00 O ATOM 897 CB VAL A 55 6.076 -11.693 7.033 1.00 0.00 C ATOM 898 CG1 VAL A 55 5.225 -12.865 6.488 1.00 0.00 C ATOM 899 CG2 VAL A 55 6.877 -12.130 8.283 1.00 0.00 C ATOM 0 H VAL A 55 7.578 -9.655 7.347 1.00 0.00 H new ATOM 0 HA VAL A 55 7.672 -11.928 5.598 1.00 0.00 H new ATOM 0 HB VAL A 55 5.394 -10.896 7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.579 -13.245 7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.612 -12.514 5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.883 -13.662 6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.193 -12.529 9.032 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.598 -12.899 8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.405 -11.270 8.695 1.00 0.00 H new ATOM 909 N HIS A 56 5.993 -9.228 4.768 1.00 0.00 N ATOM 910 CA HIS A 56 5.327 -8.490 3.682 1.00 0.00 C ATOM 911 C HIS A 56 6.360 -7.539 3.028 1.00 0.00 C ATOM 912 O HIS A 56 6.034 -6.416 2.656 1.00 0.00 O ATOM 913 CB HIS A 56 4.064 -7.732 4.184 1.00 0.00 C ATOM 914 CG HIS A 56 2.894 -8.627 4.519 1.00 0.00 C ATOM 915 ND1 HIS A 56 1.721 -8.627 3.797 1.00 0.00 N ATOM 916 CD2 HIS A 56 2.710 -9.531 5.517 1.00 0.00 C ATOM 917 CE1 HIS A 56 0.874 -9.485 4.331 1.00 0.00 C ATOM 918 NE2 HIS A 56 1.450 -10.047 5.376 1.00 0.00 N ATOM 0 H HIS A 56 6.274 -8.639 5.552 1.00 0.00 H new ATOM 0 HA HIS A 56 4.966 -9.194 2.933 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.329 -7.154 5.069 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.754 -7.020 3.419 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.426 -9.794 6.281 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.124 -9.693 3.973 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.026 -10.751 5.980 1.00 0.00 H new ATOM 927 N SER A 57 7.627 -8.020 2.908 1.00 0.00 N ATOM 928 CA SER A 57 8.680 -7.402 2.057 1.00 0.00 C ATOM 929 C SER A 57 9.253 -8.493 1.149 1.00 0.00 C ATOM 930 O SER A 57 9.307 -8.337 -0.076 1.00 0.00 O ATOM 931 CB SER A 57 9.816 -6.762 2.890 1.00 0.00 C ATOM 932 OG SER A 57 10.817 -6.190 2.064 1.00 0.00 O ATOM 0 H SER A 57 7.948 -8.853 3.402 1.00 0.00 H new ATOM 0 HA SER A 57 8.229 -6.598 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.400 -5.994 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.265 -7.518 3.534 1.00 0.00 H new ATOM 0 HG SER A 57 11.517 -5.794 2.624 1.00 0.00 H new ATOM 938 N GLN A 58 9.673 -9.610 1.783 1.00 0.00 N ATOM 939 CA GLN A 58 10.035 -10.858 1.081 1.00 0.00 C ATOM 940 C GLN A 58 8.811 -11.332 0.274 1.00 0.00 C ATOM 941 O GLN A 58 8.926 -11.763 -0.877 1.00 0.00 O ATOM 942 CB GLN A 58 10.470 -11.935 2.112 1.00 0.00 C ATOM 943 CG GLN A 58 11.627 -11.501 3.044 1.00 0.00 C ATOM 944 CD GLN A 58 11.821 -12.421 4.256 1.00 0.00 C ATOM 945 OE1 GLN A 58 11.595 -13.629 4.182 1.00 0.00 O ATOM 946 NE2 GLN A 58 12.205 -11.844 5.390 1.00 0.00 N ATOM 0 H GLN A 58 9.770 -9.670 2.797 1.00 0.00 H new ATOM 0 HA GLN A 58 10.871 -10.686 0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.609 -12.203 2.724 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.771 -12.834 1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.553 -11.472 2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.438 -10.487 3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.384 -10.840 5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.321 -12.405 6.234 1.00 0.00 H new ATOM 955 N LYS A 59 7.624 -11.215 0.917 1.00 0.00 N ATOM 956 CA LYS A 59 6.325 -11.362 0.258 1.00 0.00 C ATOM 957 C LYS A 59 5.651 -9.973 0.229 1.00 0.00 C ATOM 958 O LYS A 59 4.625 -9.780 0.887 1.00 0.00 O ATOM 959 CB LYS A 59 5.415 -12.426 0.967 1.00 0.00 C ATOM 960 CG LYS A 59 6.005 -13.853 1.107 1.00 0.00 C ATOM 961 CD LYS A 59 7.054 -13.987 2.237 1.00 0.00 C ATOM 962 CE LYS A 59 7.616 -15.410 2.349 1.00 0.00 C ATOM 963 NZ LYS A 59 8.637 -15.524 3.422 1.00 0.00 N ATOM 0 H LYS A 59 7.552 -11.014 1.915 1.00 0.00 H new ATOM 0 HA LYS A 59 6.473 -11.732 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.171 -12.058 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.478 -12.496 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.192 -14.555 1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.465 -14.140 0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.872 -13.290 2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.599 -13.703 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.802 -16.106 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.058 -15.701 1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.990 -16.501 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.427 -14.879 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.210 -15.272 4.336 1.00 0.00 H new ATOM 977 N LEU A 60 6.279 -9.022 -0.539 1.00 0.00 N ATOM 978 CA LEU A 60 5.954 -7.542 -0.539 1.00 0.00 C ATOM 979 C LEU A 60 4.439 -7.290 -0.384 1.00 0.00 C ATOM 980 O LEU A 60 3.970 -6.787 0.639 1.00 0.00 O ATOM 981 CB LEU A 60 6.530 -6.862 -1.846 1.00 0.00 C ATOM 982 CG LEU A 60 6.595 -5.273 -1.909 1.00 0.00 C ATOM 983 CD1 LEU A 60 7.522 -4.787 -3.048 1.00 0.00 C ATOM 984 CD2 LEU A 60 5.205 -4.595 -2.053 1.00 0.00 C ATOM 0 H LEU A 60 7.033 -9.259 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 60 6.434 -7.085 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.540 -7.242 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.930 -7.203 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 60 7.006 -4.971 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.542 -3.697 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.530 -5.167 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.148 -5.154 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.330 -3.513 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.727 -4.936 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.581 -4.860 -1.199 1.00 0.00 H new ATOM 996 N SER A 61 3.716 -7.650 -1.427 1.00 0.00 N ATOM 997 CA SER A 61 2.263 -7.805 -1.421 1.00 0.00 C ATOM 998 C SER A 61 1.977 -9.006 -2.320 1.00 0.00 C ATOM 999 O SER A 61 2.922 -9.584 -2.853 1.00 0.00 O ATOM 1000 CB SER A 61 1.570 -6.511 -1.915 1.00 0.00 C ATOM 1001 OG SER A 61 0.165 -6.576 -1.738 1.00 0.00 O ATOM 0 H SER A 61 4.133 -7.851 -2.336 1.00 0.00 H new ATOM 0 HA SER A 61 1.868 -7.975 -0.420 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.967 -5.654 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.798 -6.354 -2.969 1.00 0.00 H new ATOM 0 HG SER A 61 -0.244 -5.745 -2.057 1.00 0.00 H new ATOM 1007 N LYS A 62 0.712 -9.409 -2.485 1.00 0.00 N ATOM 1008 CA LYS A 62 0.380 -10.607 -3.280 1.00 0.00 C ATOM 1009 C LYS A 62 0.810 -10.395 -4.759 1.00 0.00 C ATOM 1010 O LYS A 62 1.847 -10.920 -5.187 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.135 -10.961 -3.115 1.00 0.00 C ATOM 1012 CG LYS A 62 -1.589 -12.340 -3.690 1.00 0.00 C ATOM 1013 CD LYS A 62 -1.970 -12.327 -5.195 1.00 0.00 C ATOM 1014 CE LYS A 62 -3.147 -11.377 -5.504 1.00 0.00 C ATOM 1015 NZ LYS A 62 -3.549 -11.424 -6.936 1.00 0.00 N ATOM 0 H LYS A 62 -0.095 -8.931 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 62 0.937 -11.469 -2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.379 -10.936 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.723 -10.179 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.786 -13.062 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.446 -12.692 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.102 -12.027 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.233 -13.338 -5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.000 -11.644 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.867 -10.357 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.504 -11.025 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.877 -10.869 -7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.547 -12.411 -7.265 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.013 -9.654 -5.522 1.00 0.00 N ATOM 1030 CA GLU A 63 0.162 -9.343 -6.956 1.00 0.00 C ATOM 1031 C GLU A 63 1.579 -8.807 -7.300 1.00 0.00 C ATOM 1032 O GLU A 63 2.105 -9.155 -8.341 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.935 -8.340 -7.418 1.00 0.00 C ATOM 1034 CG GLU A 63 -1.086 -8.172 -8.950 1.00 0.00 C ATOM 1035 CD GLU A 63 -1.347 -9.499 -9.688 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -2.334 -10.205 -9.349 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -0.565 -9.859 -10.590 1.00 0.00 O ATOM 0 H GLU A 63 -0.860 -9.234 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 63 0.055 -10.281 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.893 -8.663 -7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.716 -7.365 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.907 -7.484 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.180 -7.715 -9.349 1.00 0.00 H new ATOM 1044 N ALA A 64 2.184 -7.977 -6.418 1.00 0.00 N ATOM 1045 CA ALA A 64 3.591 -7.492 -6.579 1.00 0.00 C ATOM 1046 C ALA A 64 4.587 -8.681 -6.518 1.00 0.00 C ATOM 1047 O ALA A 64 5.396 -8.881 -7.422 1.00 0.00 O ATOM 1048 CB ALA A 64 3.920 -6.447 -5.485 1.00 0.00 C ATOM 0 H ALA A 64 1.723 -7.623 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 64 3.689 -7.017 -7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.946 -6.100 -5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.238 -5.602 -5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.809 -6.903 -4.501 1.00 0.00 H new ATOM 1054 N GLN A 65 4.550 -9.390 -5.369 1.00 0.00 N ATOM 1055 CA GLN A 65 5.423 -10.592 -5.175 1.00 0.00 C ATOM 1056 C GLN A 65 5.144 -11.672 -6.277 1.00 0.00 C ATOM 1057 O GLN A 65 6.007 -12.515 -6.571 1.00 0.00 O ATOM 1058 CB GLN A 65 5.258 -11.184 -3.743 1.00 0.00 C ATOM 1059 CG GLN A 65 6.397 -12.102 -3.235 1.00 0.00 C ATOM 1060 CD GLN A 65 6.366 -13.545 -3.737 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.307 -14.103 -4.031 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.529 -14.164 -3.797 1.00 0.00 N ATOM 0 H GLN A 65 3.947 -9.168 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 65 6.460 -10.273 -5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.150 -10.356 -3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.327 -11.749 -3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.350 -11.658 -3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.367 -12.116 -2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.384 -13.668 -3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.573 -15.139 -4.095 1.00 0.00 H new ATOM 1071 N LYS A 66 3.998 -11.588 -6.981 1.00 0.00 N ATOM 1072 CA LYS A 66 3.611 -12.446 -8.099 1.00 0.00 C ATOM 1073 C LYS A 66 4.290 -11.954 -9.385 1.00 0.00 C ATOM 1074 O LYS A 66 4.749 -12.754 -10.177 1.00 0.00 O ATOM 1075 CB LYS A 66 2.064 -12.471 -8.232 1.00 0.00 C ATOM 1076 CG LYS A 66 1.521 -13.051 -9.559 1.00 0.00 C ATOM 1077 CD LYS A 66 -0.021 -13.002 -9.612 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.586 -13.301 -11.009 1.00 0.00 C ATOM 1079 NZ LYS A 66 -2.016 -12.935 -11.100 1.00 0.00 N ATOM 0 H LYS A 66 3.290 -10.885 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 66 3.943 -13.468 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.655 -13.053 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.690 -11.453 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.932 -12.489 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.857 -14.082 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.426 -13.722 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.358 -12.016 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.019 -12.749 -11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.465 -14.361 -11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.270 -12.773 -12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.597 -13.707 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.188 -12.067 -10.553 1.00 0.00 H new ATOM 1093 N LEU A 67 4.266 -10.623 -9.588 1.00 0.00 N ATOM 1094 CA LEU A 67 5.095 -9.936 -10.616 1.00 0.00 C ATOM 1095 C LEU A 67 6.580 -10.392 -10.504 1.00 0.00 C ATOM 1096 O LEU A 67 7.276 -10.526 -11.506 1.00 0.00 O ATOM 1097 CB LEU A 67 5.006 -8.382 -10.524 1.00 0.00 C ATOM 1098 CG LEU A 67 3.592 -7.735 -10.707 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.662 -6.193 -10.605 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.916 -8.185 -12.027 1.00 0.00 C ATOM 0 H LEU A 67 3.676 -9.989 -9.050 1.00 0.00 H new ATOM 0 HA LEU A 67 4.693 -10.223 -11.588 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.393 -8.078 -9.551 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.671 -7.960 -11.278 1.00 0.00 H new ATOM 0 HG LEU A 67 2.966 -8.093 -9.890 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.664 -5.774 -10.736 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.048 -5.910 -9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.323 -5.807 -11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.937 -7.713 -12.114 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.537 -7.891 -12.873 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.797 -9.268 -12.024 1.00 0.00 H new ATOM 1112 N MET A 68 7.021 -10.635 -9.256 1.00 0.00 N ATOM 1113 CA MET A 68 8.377 -11.149 -8.951 1.00 0.00 C ATOM 1114 C MET A 68 8.527 -12.645 -9.340 1.00 0.00 C ATOM 1115 O MET A 68 9.603 -13.068 -9.774 1.00 0.00 O ATOM 1116 CB MET A 68 8.732 -10.917 -7.456 1.00 0.00 C ATOM 1117 CG MET A 68 8.699 -9.443 -7.028 1.00 0.00 C ATOM 1118 SD MET A 68 9.105 -9.190 -5.286 1.00 0.00 S ATOM 1119 CE MET A 68 9.032 -7.399 -5.176 1.00 0.00 C ATOM 0 H MET A 68 6.449 -10.481 -8.426 1.00 0.00 H new ATOM 0 HA MET A 68 9.086 -10.587 -9.559 1.00 0.00 H new ATOM 0 HB2 MET A 68 8.035 -11.480 -6.836 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.727 -11.319 -7.263 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.401 -8.879 -7.642 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.706 -9.038 -7.224 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.260 -7.087 -4.157 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.759 -6.962 -5.861 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.032 -7.058 -5.444 1.00 0.00 H new ATOM 1129 N LYS A 69 7.442 -13.439 -9.191 1.00 0.00 N ATOM 1130 CA LYS A 69 7.432 -14.884 -9.612 1.00 0.00 C ATOM 1131 C LYS A 69 6.706 -15.101 -10.968 1.00 0.00 C ATOM 1132 O LYS A 69 6.396 -16.252 -11.321 1.00 0.00 O ATOM 1133 CB LYS A 69 6.790 -15.801 -8.520 1.00 0.00 C ATOM 1134 CG LYS A 69 5.292 -15.542 -8.265 1.00 0.00 C ATOM 1135 CD LYS A 69 4.565 -16.672 -7.506 1.00 0.00 C ATOM 1136 CE LYS A 69 3.080 -16.344 -7.261 1.00 0.00 C ATOM 1137 NZ LYS A 69 2.363 -17.449 -6.579 1.00 0.00 N ATOM 0 H LYS A 69 6.562 -13.119 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 69 8.478 -15.165 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.920 -16.842 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.333 -15.665 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.188 -14.616 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.795 -15.387 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.642 -17.598 -8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.060 -16.843 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.005 -15.439 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.595 -16.133 -8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.368 -17.181 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.410 -18.307 -7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.807 -17.634 -5.657 1.00 0.00 H new ATOM 1151 N MET A 70 6.455 -14.005 -11.732 1.00 0.00 N ATOM 1152 CA MET A 70 5.737 -14.071 -13.037 1.00 0.00 C ATOM 1153 C MET A 70 6.517 -14.933 -14.038 1.00 0.00 C ATOM 1154 O MET A 70 7.754 -14.941 -13.996 1.00 0.00 O ATOM 1155 CB MET A 70 5.480 -12.643 -13.643 1.00 0.00 C ATOM 1156 CG MET A 70 4.087 -12.051 -13.362 1.00 0.00 C ATOM 1157 SD MET A 70 2.747 -12.992 -14.130 1.00 0.00 S ATOM 1158 CE MET A 70 1.363 -11.858 -13.987 1.00 0.00 C ATOM 0 H MET A 70 6.740 -13.062 -11.467 1.00 0.00 H new ATOM 0 HA MET A 70 4.767 -14.529 -12.846 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.233 -11.959 -13.252 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.625 -12.693 -14.722 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.925 -12.014 -12.285 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.056 -11.024 -13.725 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.428 -12.411 -14.081 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.396 -11.364 -13.016 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.423 -11.109 -14.777 1.00 0.00 H new ATOM 1168 N PRO A 71 5.813 -15.698 -14.928 1.00 0.00 N ATOM 1169 CA PRO A 71 6.477 -16.473 -15.973 1.00 0.00 C ATOM 1170 C PRO A 71 7.057 -15.579 -17.092 1.00 0.00 C ATOM 1171 O PRO A 71 8.270 -15.392 -17.144 1.00 0.00 O ATOM 1172 CB PRO A 71 5.373 -17.436 -16.474 1.00 0.00 C ATOM 1173 CG PRO A 71 4.093 -16.722 -16.195 1.00 0.00 C ATOM 1174 CD PRO A 71 4.336 -15.911 -14.941 1.00 0.00 C ATOM 0 HA PRO A 71 7.351 -17.011 -15.606 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.485 -17.648 -17.537 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.415 -18.392 -15.952 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.815 -16.078 -17.029 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.275 -17.428 -16.051 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.797 -14.964 -14.967 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.002 -16.443 -14.051 1.00 0.00 H new ATOM 1182 N PHE A 72 6.207 -15.051 -18.002 1.00 0.00 N ATOM 1183 CA PHE A 72 6.661 -14.403 -19.247 1.00 0.00 C ATOM 1184 C PHE A 72 6.668 -12.887 -19.003 1.00 0.00 C ATOM 1185 O PHE A 72 5.609 -12.314 -18.788 1.00 0.00 O ATOM 1186 CB PHE A 72 5.700 -14.750 -20.408 1.00 0.00 C ATOM 1187 CG PHE A 72 5.521 -16.250 -20.634 1.00 0.00 C ATOM 1188 CD1 PHE A 72 6.399 -16.962 -21.443 1.00 0.00 C ATOM 1189 CD2 PHE A 72 4.478 -16.944 -20.021 1.00 0.00 C ATOM 1190 CE1 PHE A 72 6.236 -18.322 -21.636 1.00 0.00 C ATOM 1191 CE2 PHE A 72 4.318 -18.300 -20.212 1.00 0.00 C ATOM 1192 CZ PHE A 72 5.198 -18.989 -21.020 1.00 0.00 C ATOM 0 H PHE A 72 5.193 -15.063 -17.892 1.00 0.00 H new ATOM 0 HA PHE A 72 7.657 -14.752 -19.519 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.726 -14.304 -20.207 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.075 -14.296 -21.325 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.217 -16.448 -21.926 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.785 -16.411 -19.387 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.923 -18.863 -22.270 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.505 -18.822 -19.730 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.074 -20.051 -21.170 1.00 0.00 H new ATOM 1202 N GLN A 73 7.848 -12.242 -19.009 1.00 0.00 N ATOM 1203 CA GLN A 73 7.978 -10.807 -18.643 1.00 0.00 C ATOM 1204 C GLN A 73 9.188 -10.145 -19.333 1.00 0.00 C ATOM 1205 O GLN A 73 10.020 -10.828 -19.941 1.00 0.00 O ATOM 1206 CB GLN A 73 8.092 -10.636 -17.097 1.00 0.00 C ATOM 1207 CG GLN A 73 9.427 -11.088 -16.456 1.00 0.00 C ATOM 1208 CD GLN A 73 9.674 -12.594 -16.526 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.269 -13.106 -17.481 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.219 -13.314 -15.521 1.00 0.00 N ATOM 0 H GLN A 73 8.730 -12.686 -19.263 1.00 0.00 H new ATOM 0 HA GLN A 73 7.075 -10.307 -18.992 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.935 -9.585 -16.856 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.281 -11.195 -16.630 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.249 -10.572 -16.953 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.440 -10.777 -15.411 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.732 -12.860 -14.748 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.354 -14.325 -15.516 1.00 0.00 H new ATOM 1219 N ARG A 74 9.266 -8.802 -19.195 1.00 0.00 N ATOM 1220 CA ARG A 74 10.412 -7.973 -19.633 1.00 0.00 C ATOM 1221 C ARG A 74 10.187 -6.510 -19.176 1.00 0.00 C ATOM 1222 O ARG A 74 9.223 -6.209 -18.477 1.00 0.00 O ATOM 1223 CB ARG A 74 10.592 -8.012 -21.185 1.00 0.00 C ATOM 1224 CG ARG A 74 9.423 -7.397 -21.981 1.00 0.00 C ATOM 1225 CD ARG A 74 9.686 -7.340 -23.491 1.00 0.00 C ATOM 1226 NE ARG A 74 8.549 -6.755 -24.218 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.558 -6.389 -25.508 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.650 -6.488 -26.257 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.464 -5.902 -26.040 1.00 0.00 N ATOM 0 H ARG A 74 8.520 -8.254 -18.768 1.00 0.00 H new ATOM 0 HA ARG A 74 11.317 -8.378 -19.180 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.509 -7.484 -21.445 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.722 -9.048 -21.497 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.520 -7.980 -21.797 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.232 -6.389 -21.613 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.583 -6.751 -23.682 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.879 -8.345 -23.865 1.00 0.00 H new ATOM 0 HE ARG A 74 7.682 -6.616 -23.698 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.514 -6.851 -25.854 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.625 -6.201 -27.236 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.621 -5.806 -25.474 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.456 -5.619 -27.020 1.00 0.00 H new ATOM 1243 N ALA A 75 11.108 -5.616 -19.560 1.00 0.00 N ATOM 1244 CA ALA A 75 10.913 -4.149 -19.452 1.00 0.00 C ATOM 1245 C ALA A 75 10.452 -3.599 -20.811 1.00 0.00 C ATOM 1246 O ALA A 75 11.009 -3.987 -21.848 1.00 0.00 O ATOM 1247 CB ALA A 75 12.202 -3.452 -18.992 1.00 0.00 C ATOM 0 H ALA A 75 12.011 -5.881 -19.955 1.00 0.00 H new ATOM 0 HA ALA A 75 10.148 -3.947 -18.702 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.030 -2.378 -18.922 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.495 -3.837 -18.015 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.997 -3.646 -19.712 1.00 0.00 H new ATOM 1253 N ILE A 76 9.425 -2.719 -20.809 1.00 0.00 N ATOM 1254 CA ILE A 76 8.915 -2.188 -22.104 1.00 0.00 C ATOM 1255 C ILE A 76 9.703 -0.949 -22.576 1.00 0.00 C ATOM 1256 O ILE A 76 9.740 0.074 -21.888 1.00 0.00 O ATOM 1257 CB ILE A 76 7.372 -1.842 -22.008 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.549 -3.020 -21.366 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.800 -1.475 -23.400 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.629 -4.355 -22.109 1.00 0.00 C ATOM 0 H ILE A 76 8.950 -2.373 -19.975 1.00 0.00 H new ATOM 0 HA ILE A 76 9.058 -2.976 -22.843 1.00 0.00 H new ATOM 0 HB ILE A 76 7.275 -0.976 -21.354 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.898 -3.170 -20.344 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.503 -2.719 -21.305 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.739 -1.242 -23.307 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.329 -0.607 -23.794 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.928 -2.317 -24.080 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.028 -5.099 -21.586 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.250 -4.230 -23.123 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.666 -4.688 -22.148 1.00 0.00 H new ATOM 1272 N THR A 77 10.298 -1.063 -23.778 1.00 0.00 N ATOM 1273 CA THR A 77 11.048 0.025 -24.433 1.00 0.00 C ATOM 1274 C THR A 77 10.073 1.044 -25.061 1.00 0.00 C ATOM 1275 O THR A 77 8.918 0.715 -25.288 1.00 0.00 O ATOM 1276 CB THR A 77 11.984 -0.552 -25.545 1.00 0.00 C ATOM 1277 OG1 THR A 77 11.188 -1.189 -26.562 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.988 -1.567 -24.968 1.00 0.00 C ATOM 0 H THR A 77 10.271 -1.922 -24.327 1.00 0.00 H new ATOM 0 HA THR A 77 11.655 0.525 -23.678 1.00 0.00 H new ATOM 0 HB THR A 77 12.548 0.276 -25.974 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.775 -1.549 -27.259 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.622 -1.947 -25.769 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.607 -1.079 -24.216 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.446 -2.395 -24.510 1.00 0.00 H new ATOM 1286 N LYS A 78 10.546 2.285 -25.283 1.00 0.00 N ATOM 1287 CA LYS A 78 9.786 3.343 -26.009 1.00 0.00 C ATOM 1288 C LYS A 78 9.329 2.847 -27.405 1.00 0.00 C ATOM 1289 O LYS A 78 8.228 3.138 -27.847 1.00 0.00 O ATOM 1290 CB LYS A 78 10.670 4.605 -26.179 1.00 0.00 C ATOM 1291 CG LYS A 78 11.168 5.235 -24.857 1.00 0.00 C ATOM 1292 CD LYS A 78 12.278 6.293 -25.077 1.00 0.00 C ATOM 1293 CE LYS A 78 13.579 5.670 -25.620 1.00 0.00 C ATOM 1294 NZ LYS A 78 14.637 6.679 -25.861 1.00 0.00 N ATOM 0 H LYS A 78 11.466 2.591 -24.967 1.00 0.00 H new ATOM 0 HA LYS A 78 8.902 3.585 -25.420 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.535 4.345 -26.789 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.104 5.355 -26.731 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.327 5.699 -24.342 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.547 4.448 -24.205 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.922 7.051 -25.775 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.486 6.800 -24.135 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.945 4.927 -24.911 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.365 5.144 -26.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.490 6.208 -26.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.301 7.374 -26.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.864 7.164 -24.969 1.00 0.00 H new ATOM 1308 N LYS A 79 10.270 2.198 -28.100 1.00 0.00 N ATOM 1309 CA LYS A 79 10.004 1.418 -29.338 1.00 0.00 C ATOM 1310 C LYS A 79 8.729 0.535 -29.224 1.00 0.00 C ATOM 1311 O LYS A 79 7.888 0.537 -30.132 1.00 0.00 O ATOM 1312 CB LYS A 79 11.217 0.547 -29.727 1.00 0.00 C ATOM 1313 CG LYS A 79 12.438 1.363 -30.178 1.00 0.00 C ATOM 1314 CD LYS A 79 13.562 0.477 -30.735 1.00 0.00 C ATOM 1315 CE LYS A 79 14.699 1.300 -31.365 1.00 0.00 C ATOM 1316 NZ LYS A 79 15.755 0.441 -31.959 1.00 0.00 N ATOM 0 H LYS A 79 11.252 2.193 -27.825 1.00 0.00 H new ATOM 0 HA LYS A 79 9.829 2.151 -30.126 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.498 -0.072 -28.875 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.926 -0.130 -30.530 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.131 2.079 -30.941 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.818 1.939 -29.335 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.966 -0.141 -29.933 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.150 -0.201 -31.483 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.288 1.952 -32.136 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.142 1.944 -30.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.499 1.040 -32.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.167 -0.164 -31.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.340 -0.156 -32.703 1.00 0.00 H new ATOM 1330 N GLU A 80 8.572 -0.170 -28.087 1.00 0.00 N ATOM 1331 CA GLU A 80 7.388 -1.017 -27.826 1.00 0.00 C ATOM 1332 C GLU A 80 6.238 -0.212 -27.172 1.00 0.00 C ATOM 1333 O GLU A 80 5.108 -0.699 -27.069 1.00 0.00 O ATOM 1334 CB GLU A 80 7.791 -2.238 -26.958 1.00 0.00 C ATOM 1335 CG GLU A 80 8.669 -3.268 -27.698 1.00 0.00 C ATOM 1336 CD GLU A 80 7.951 -3.874 -28.922 1.00 0.00 C ATOM 1337 OE1 GLU A 80 7.020 -4.695 -28.733 1.00 0.00 O ATOM 1338 OE2 GLU A 80 8.294 -3.524 -30.075 1.00 0.00 O ATOM 0 H GLU A 80 9.254 -0.170 -27.329 1.00 0.00 H new ATOM 0 HA GLU A 80 7.011 -1.380 -28.782 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.327 -1.884 -26.077 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.887 -2.734 -26.603 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.593 -2.789 -28.021 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.947 -4.066 -27.010 1.00 0.00 H new ATOM 1345 N GLN A 81 6.542 1.034 -26.754 1.00 0.00 N ATOM 1346 CA GLN A 81 5.530 1.996 -26.272 1.00 0.00 C ATOM 1347 C GLN A 81 5.007 2.910 -27.372 1.00 0.00 C ATOM 1348 O GLN A 81 4.009 3.613 -27.155 1.00 0.00 O ATOM 1349 CB GLN A 81 6.130 2.864 -25.131 1.00 0.00 C ATOM 1350 CG GLN A 81 6.413 2.106 -23.824 1.00 0.00 C ATOM 1351 CD GLN A 81 7.094 2.981 -22.777 1.00 0.00 C ATOM 1352 OE1 GLN A 81 6.434 3.725 -22.064 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.409 2.873 -22.646 1.00 0.00 N ATOM 0 H GLN A 81 7.494 1.401 -26.741 1.00 0.00 H new ATOM 0 HA GLN A 81 4.687 1.408 -25.908 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.060 3.311 -25.484 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.444 3.683 -24.918 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.476 1.724 -23.419 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.044 1.243 -24.038 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.932 2.244 -23.255 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.897 3.419 -21.936 1.00 0.00 H new ATOM 1362 N ALA A 82 5.646 2.914 -28.555 1.00 0.00 N ATOM 1363 CA ALA A 82 5.208 3.747 -29.683 1.00 0.00 C ATOM 1364 C ALA A 82 4.083 3.011 -30.405 1.00 0.00 C ATOM 1365 O ALA A 82 3.242 3.616 -31.075 1.00 0.00 O ATOM 1366 CB ALA A 82 6.399 4.024 -30.630 1.00 0.00 C ATOM 0 H ALA A 82 6.470 2.347 -28.753 1.00 0.00 H new ATOM 0 HA ALA A 82 4.841 4.711 -29.331 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.065 4.642 -31.463 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.185 4.545 -30.083 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.788 3.080 -31.012 1.00 0.00 H new ATOM 1372 N ASP A 83 4.097 1.676 -30.228 1.00 0.00 N ATOM 1373 CA ASP A 83 3.105 0.754 -30.757 1.00 0.00 C ATOM 1374 C ASP A 83 2.611 -0.072 -29.563 1.00 0.00 C ATOM 1375 O ASP A 83 2.761 -1.303 -29.517 1.00 0.00 O ATOM 1376 CB ASP A 83 3.722 -0.138 -31.872 1.00 0.00 C ATOM 1377 CG ASP A 83 4.405 0.666 -32.984 1.00 0.00 C ATOM 1378 OD1 ASP A 83 3.695 1.259 -33.826 1.00 0.00 O ATOM 1379 OD2 ASP A 83 5.657 0.710 -33.026 1.00 0.00 O ATOM 0 H ASP A 83 4.828 1.206 -29.694 1.00 0.00 H new ATOM 0 HA ASP A 83 2.273 1.280 -31.225 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.449 -0.816 -31.425 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.937 -0.755 -32.309 1.00 0.00 H new ATOM 1384 N MET A 84 2.050 0.650 -28.573 1.00 0.00 N ATOM 1385 CA MET A 84 1.534 0.068 -27.330 1.00 0.00 C ATOM 1386 C MET A 84 0.267 -0.759 -27.600 1.00 0.00 C ATOM 1387 O MET A 84 -0.029 -1.716 -26.882 1.00 0.00 O ATOM 1388 CB MET A 84 1.237 1.200 -26.300 1.00 0.00 C ATOM 1389 CG MET A 84 1.403 0.750 -24.860 1.00 0.00 C ATOM 1390 SD MET A 84 3.123 0.311 -24.552 1.00 0.00 S ATOM 1391 CE MET A 84 2.998 -0.669 -23.085 1.00 0.00 C ATOM 0 H MET A 84 1.944 1.663 -28.620 1.00 0.00 H new ATOM 0 HA MET A 84 2.290 -0.599 -26.916 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.903 2.041 -26.491 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.219 1.560 -26.447 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.095 1.546 -24.183 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.758 -0.106 -24.660 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.985 -0.781 -22.637 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.332 -0.179 -22.375 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.600 -1.652 -23.337 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.460 -0.349 -28.653 1.00 0.00 N ATOM 1402 CA GLY A 85 -1.614 -1.082 -29.150 1.00 0.00 C ATOM 1403 C GLY A 85 -1.226 -2.444 -29.693 1.00 0.00 C ATOM 1404 O GLY A 85 -1.773 -3.466 -29.270 1.00 0.00 O ATOM 0 H GLY A 85 -0.256 0.502 -29.177 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.340 -1.205 -28.346 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.102 -0.503 -29.935 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.265 -2.430 -30.641 1.00 0.00 N ATOM 1409 CA LYS A 86 0.342 -3.630 -31.242 1.00 0.00 C ATOM 1410 C LYS A 86 0.793 -4.612 -30.148 1.00 0.00 C ATOM 1411 O LYS A 86 0.380 -5.774 -30.129 1.00 0.00 O ATOM 1412 CB LYS A 86 1.576 -3.213 -32.103 1.00 0.00 C ATOM 1413 CG LYS A 86 2.416 -4.390 -32.686 1.00 0.00 C ATOM 1414 CD LYS A 86 3.898 -4.007 -32.952 1.00 0.00 C ATOM 1415 CE LYS A 86 4.676 -3.667 -31.660 1.00 0.00 C ATOM 1416 NZ LYS A 86 6.083 -3.281 -31.939 1.00 0.00 N ATOM 0 H LYS A 86 0.117 -1.562 -31.016 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.401 -4.120 -31.871 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.228 -2.594 -32.930 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.230 -2.591 -31.492 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.383 -5.231 -31.993 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.961 -4.727 -33.617 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.395 -4.832 -33.462 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.931 -3.150 -33.625 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.174 -2.852 -31.139 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.663 -4.528 -30.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.674 -3.502 -31.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.431 -3.810 -32.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.131 -2.261 -32.136 1.00 0.00 H new ATOM 1430 N LEU A 87 1.686 -4.106 -29.285 1.00 0.00 N ATOM 1431 CA LEU A 87 2.221 -4.835 -28.134 1.00 0.00 C ATOM 1432 C LEU A 87 1.105 -5.516 -27.288 1.00 0.00 C ATOM 1433 O LEU A 87 1.037 -6.745 -27.251 1.00 0.00 O ATOM 1434 CB LEU A 87 3.090 -3.884 -27.271 1.00 0.00 C ATOM 1435 CG LEU A 87 3.559 -4.440 -25.893 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.342 -5.764 -26.028 1.00 0.00 C ATOM 1437 CD2 LEU A 87 4.374 -3.384 -25.132 1.00 0.00 C ATOM 0 H LEU A 87 2.061 -3.161 -29.372 1.00 0.00 H new ATOM 0 HA LEU A 87 2.847 -5.644 -28.510 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.973 -3.609 -27.848 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.525 -2.968 -27.097 1.00 0.00 H new ATOM 0 HG LEU A 87 2.664 -4.667 -25.314 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.646 -6.109 -25.040 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.707 -6.516 -26.496 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.227 -5.602 -26.644 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.692 -3.792 -24.173 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.251 -3.109 -25.718 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.758 -2.500 -24.964 1.00 0.00 H new ATOM 1449 N LYS A 88 0.206 -4.712 -26.696 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.798 -5.205 -25.719 1.00 0.00 C ATOM 1451 C LYS A 88 -1.867 -6.131 -26.322 1.00 0.00 C ATOM 1452 O LYS A 88 -2.377 -7.008 -25.605 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.495 -4.019 -24.996 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.604 -3.269 -23.981 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.407 -2.277 -23.115 1.00 0.00 C ATOM 1456 CE LYS A 88 -0.565 -1.660 -21.992 1.00 0.00 C ATOM 1457 NZ LYS A 88 -1.389 -0.845 -21.063 1.00 0.00 N ATOM 0 H LYS A 88 0.149 -3.709 -26.874 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.229 -5.804 -25.008 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.845 -3.309 -25.746 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.377 -4.395 -24.477 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.107 -3.992 -23.334 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.178 -2.730 -24.516 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.799 -1.482 -23.749 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.265 -2.791 -22.681 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.067 -2.453 -21.434 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.217 -1.036 -22.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.782 -0.446 -20.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.844 -0.072 -21.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.119 -1.445 -20.629 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.176 -5.955 -27.628 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.354 -6.603 -28.250 1.00 0.00 C ATOM 1473 C LYS A 89 -3.207 -8.144 -28.156 1.00 0.00 C ATOM 1474 O LYS A 89 -4.115 -8.855 -27.702 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.560 -6.109 -29.731 1.00 0.00 C ATOM 1476 CG LYS A 89 -2.601 -6.713 -30.782 1.00 0.00 C ATOM 1477 CD LYS A 89 -2.539 -5.954 -32.117 1.00 0.00 C ATOM 1478 CE LYS A 89 -1.655 -6.688 -33.144 1.00 0.00 C ATOM 1479 NZ LYS A 89 -0.341 -7.126 -32.581 1.00 0.00 N ATOM 0 H LYS A 89 -1.631 -5.375 -28.266 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.253 -6.316 -27.705 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.584 -6.334 -30.030 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.453 -5.024 -29.750 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.598 -6.752 -30.357 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.904 -7.741 -30.980 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.546 -5.839 -32.518 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.147 -4.951 -31.949 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.191 -7.560 -33.519 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.478 -6.032 -33.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.362 -7.183 -33.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.023 -6.439 -31.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.447 -8.061 -32.138 1.00 0.00 H new ATOM 1493 N SER A 90 -2.025 -8.620 -28.584 1.00 0.00 N ATOM 1494 CA SER A 90 -1.638 -10.026 -28.610 1.00 0.00 C ATOM 1495 C SER A 90 -1.587 -10.621 -27.186 1.00 0.00 C ATOM 1496 O SER A 90 -2.187 -11.670 -26.913 1.00 0.00 O ATOM 1497 CB SER A 90 -0.244 -10.116 -29.280 1.00 0.00 C ATOM 1498 OG SER A 90 -0.236 -9.458 -30.541 1.00 0.00 O ATOM 0 H SER A 90 -1.290 -8.005 -28.933 1.00 0.00 H new ATOM 0 HA SER A 90 -2.375 -10.601 -29.171 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.505 -9.667 -28.628 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.033 -11.162 -29.411 1.00 0.00 H new ATOM 0 HG SER A 90 0.656 -9.528 -30.941 1.00 0.00 H new ATOM 1504 N VAL A 91 -0.849 -9.925 -26.302 1.00 0.00 N ATOM 1505 CA VAL A 91 -0.491 -10.460 -24.968 1.00 0.00 C ATOM 1506 C VAL A 91 -1.734 -10.728 -24.087 1.00 0.00 C ATOM 1507 O VAL A 91 -1.727 -11.667 -23.295 1.00 0.00 O ATOM 1508 CB VAL A 91 0.485 -9.506 -24.192 1.00 0.00 C ATOM 1509 CG1 VAL A 91 1.128 -10.226 -22.976 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.558 -8.921 -25.127 1.00 0.00 C ATOM 0 H VAL A 91 -0.487 -8.989 -26.484 1.00 0.00 H new ATOM 0 HA VAL A 91 0.013 -11.407 -25.162 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.105 -8.674 -23.808 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.798 -9.539 -22.459 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.345 -10.553 -22.291 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.692 -11.092 -23.322 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.217 -8.265 -24.559 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.141 -9.732 -25.564 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.077 -8.351 -25.922 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.767 -9.864 -24.217 1.00 0.00 N ATOM 1521 CA ARG A 92 -4.072 -9.994 -23.511 1.00 0.00 C ATOM 1522 C ARG A 92 -3.951 -9.592 -22.016 1.00 0.00 C ATOM 1523 O ARG A 92 -4.490 -8.556 -21.608 1.00 0.00 O ATOM 1524 CB ARG A 92 -4.690 -11.426 -23.680 1.00 0.00 C ATOM 1525 CG ARG A 92 -5.999 -11.700 -22.890 1.00 0.00 C ATOM 1526 CD ARG A 92 -6.467 -13.161 -23.017 1.00 0.00 C ATOM 1527 NE ARG A 92 -7.631 -13.450 -22.154 1.00 0.00 N ATOM 1528 CZ ARG A 92 -7.950 -14.659 -21.660 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -7.185 -15.718 -21.889 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -9.028 -14.802 -20.914 1.00 0.00 N ATOM 0 H ARG A 92 -2.721 -9.044 -24.822 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.763 -9.295 -23.981 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.887 -11.593 -24.739 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.944 -12.160 -23.375 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.842 -11.462 -21.838 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.784 -11.037 -23.253 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.726 -13.369 -24.055 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.646 -13.828 -22.753 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.242 -12.669 -21.914 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.338 -15.624 -22.449 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.444 -16.627 -21.505 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.619 -13.996 -20.712 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.271 -15.719 -20.539 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.220 -10.398 -21.212 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.069 -10.151 -19.762 1.00 0.00 C ATOM 1546 C GLY A 93 -1.806 -9.367 -19.401 1.00 0.00 C ATOM 1547 O GLY A 93 -1.257 -9.539 -18.307 1.00 0.00 O ATOM 0 H GLY A 93 -2.725 -11.226 -21.545 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.941 -9.604 -19.403 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.055 -11.107 -19.239 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.347 -8.515 -20.333 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.152 -7.677 -20.122 1.00 0.00 C ATOM 1553 C LEU A 94 -0.406 -6.630 -19.012 1.00 0.00 C ATOM 1554 O LEU A 94 -1.371 -5.869 -19.062 1.00 0.00 O ATOM 1555 CB LEU A 94 0.320 -7.012 -21.438 1.00 0.00 C ATOM 1556 CG LEU A 94 1.624 -6.156 -21.355 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.771 -6.915 -20.649 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.071 -5.678 -22.758 1.00 0.00 C ATOM 0 H LEU A 94 -1.787 -8.387 -21.244 1.00 0.00 H new ATOM 0 HA LEU A 94 0.657 -8.327 -19.789 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.472 -7.795 -22.181 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.484 -6.375 -21.806 1.00 0.00 H new ATOM 0 HG LEU A 94 1.389 -5.279 -20.751 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.658 -6.283 -20.614 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.467 -7.171 -19.634 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.998 -7.827 -21.201 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.981 -5.085 -22.667 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.263 -6.543 -23.393 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.284 -5.069 -23.203 1.00 0.00 H new ATOM 1570 N VAL A 95 0.491 -6.645 -18.021 1.00 0.00 N ATOM 1571 CA VAL A 95 0.487 -5.803 -16.816 1.00 0.00 C ATOM 1572 C VAL A 95 1.692 -4.871 -16.932 1.00 0.00 C ATOM 1573 O VAL A 95 2.811 -5.353 -16.973 1.00 0.00 O ATOM 1574 CB VAL A 95 0.598 -6.672 -15.502 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.642 -5.785 -14.226 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.546 -7.712 -15.433 1.00 0.00 C ATOM 0 H VAL A 95 1.287 -7.282 -18.038 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.448 -5.247 -16.747 1.00 0.00 H new ATOM 0 HB VAL A 95 1.542 -7.215 -15.542 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.718 -6.420 -13.344 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.507 -5.123 -14.273 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.268 -5.189 -14.166 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.449 -8.299 -14.520 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.507 -7.197 -15.433 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.489 -8.374 -16.297 1.00 0.00 H new ATOM 1586 N VAL A 96 1.476 -3.546 -16.962 1.00 0.00 N ATOM 1587 CA VAL A 96 2.519 -2.566 -17.330 1.00 0.00 C ATOM 1588 C VAL A 96 2.612 -1.505 -16.217 1.00 0.00 C ATOM 1589 O VAL A 96 1.667 -0.741 -15.992 1.00 0.00 O ATOM 1590 CB VAL A 96 2.214 -1.894 -18.729 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.191 -0.752 -19.051 1.00 0.00 C ATOM 1592 CG2 VAL A 96 2.224 -2.940 -19.867 1.00 0.00 C ATOM 0 H VAL A 96 0.577 -3.122 -16.733 1.00 0.00 H new ATOM 0 HA VAL A 96 3.475 -3.080 -17.429 1.00 0.00 H new ATOM 0 HB VAL A 96 1.215 -1.465 -18.656 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.941 -0.322 -20.021 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.117 0.018 -18.283 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.209 -1.141 -19.078 1.00 0.00 H new ATOM 0 HG21 VAL A 96 2.011 -2.447 -20.816 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.204 -3.415 -19.916 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.464 -3.697 -19.672 1.00 0.00 H new ATOM 1602 N VAL A 97 3.752 -1.491 -15.518 1.00 0.00 N ATOM 1603 CA VAL A 97 3.992 -0.636 -14.341 1.00 0.00 C ATOM 1604 C VAL A 97 4.875 0.561 -14.770 1.00 0.00 C ATOM 1605 O VAL A 97 6.012 0.356 -15.214 1.00 0.00 O ATOM 1606 CB VAL A 97 4.701 -1.465 -13.201 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.851 -0.640 -11.898 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.963 -2.809 -12.931 1.00 0.00 C ATOM 0 H VAL A 97 4.549 -2.081 -15.755 1.00 0.00 H new ATOM 0 HA VAL A 97 3.043 -0.268 -13.950 1.00 0.00 H new ATOM 0 HB VAL A 97 5.704 -1.701 -13.555 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.344 -1.246 -11.138 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.450 0.249 -12.097 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.865 -0.341 -11.541 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.478 -3.354 -12.140 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.938 -2.605 -12.623 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.956 -3.409 -13.841 1.00 0.00 H new ATOM 1618 N HIS A 98 4.355 1.801 -14.649 1.00 0.00 N ATOM 1619 CA HIS A 98 5.055 3.031 -15.081 1.00 0.00 C ATOM 1620 C HIS A 98 5.887 3.563 -13.888 1.00 0.00 C ATOM 1621 O HIS A 98 5.401 3.524 -12.767 1.00 0.00 O ATOM 1622 CB HIS A 98 3.991 4.081 -15.529 1.00 0.00 C ATOM 1623 CG HIS A 98 4.544 5.388 -16.056 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.032 6.361 -15.211 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.700 5.814 -17.333 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.474 7.330 -15.993 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.293 7.044 -17.281 1.00 0.00 N ATOM 0 H HIS A 98 3.434 1.978 -14.247 1.00 0.00 H new ATOM 0 HA HIS A 98 5.723 2.831 -15.919 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.367 3.633 -16.303 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.341 4.298 -14.681 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.410 5.280 -18.226 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.926 8.242 -15.632 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.548 7.630 -18.076 1.00 0.00 H new ATOM 1635 N PRO A 99 7.138 4.085 -14.096 1.00 0.00 N ATOM 1636 CA PRO A 99 8.039 4.481 -12.977 1.00 0.00 C ATOM 1637 C PRO A 99 7.494 5.616 -12.068 1.00 0.00 C ATOM 1638 O PRO A 99 7.917 5.737 -10.921 1.00 0.00 O ATOM 1639 CB PRO A 99 9.331 4.930 -13.708 1.00 0.00 C ATOM 1640 CG PRO A 99 8.891 5.284 -15.094 1.00 0.00 C ATOM 1641 CD PRO A 99 7.785 4.313 -15.417 1.00 0.00 C ATOM 0 HA PRO A 99 8.173 3.654 -12.279 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.790 5.784 -13.210 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.074 4.132 -13.722 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.538 6.314 -15.144 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.714 5.194 -15.803 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.085 4.727 -16.143 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.173 3.387 -15.841 1.00 0.00 H new ATOM 1649 N MET A 100 6.563 6.439 -12.592 1.00 0.00 N ATOM 1650 CA MET A 100 6.017 7.593 -11.829 1.00 0.00 C ATOM 1651 C MET A 100 4.685 7.270 -11.141 1.00 0.00 C ATOM 1652 O MET A 100 4.110 8.141 -10.469 1.00 0.00 O ATOM 1653 CB MET A 100 5.870 8.847 -12.721 1.00 0.00 C ATOM 1654 CG MET A 100 7.172 9.328 -13.365 1.00 0.00 C ATOM 1655 SD MET A 100 7.034 10.999 -14.040 1.00 0.00 S ATOM 1656 CE MET A 100 5.552 10.854 -15.039 1.00 0.00 C ATOM 0 H MET A 100 6.174 6.333 -13.529 1.00 0.00 H new ATOM 0 HA MET A 100 6.745 7.807 -11.046 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.148 8.633 -13.509 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.456 9.657 -12.121 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.971 9.304 -12.624 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.455 8.640 -14.162 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.221 11.846 -15.345 1.00 0.00 H new ATOM 0 HE2 MET A 100 5.767 10.255 -15.924 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.766 10.372 -14.457 1.00 0.00 H new ATOM 1666 N THR A 101 4.199 6.027 -11.291 1.00 0.00 N ATOM 1667 CA THR A 101 3.020 5.544 -10.539 1.00 0.00 C ATOM 1668 C THR A 101 3.393 5.260 -9.082 1.00 0.00 C ATOM 1669 O THR A 101 4.565 5.354 -8.702 1.00 0.00 O ATOM 1670 CB THR A 101 2.372 4.257 -11.161 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.311 3.174 -11.189 1.00 0.00 O ATOM 1672 CG2 THR A 101 1.822 4.517 -12.570 1.00 0.00 C ATOM 0 H THR A 101 4.601 5.336 -11.924 1.00 0.00 H new ATOM 0 HA THR A 101 2.281 6.343 -10.595 1.00 0.00 H new ATOM 0 HB THR A 101 1.534 3.980 -10.521 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.021 3.373 -11.835 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.382 3.601 -12.964 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.060 5.295 -12.525 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.633 4.840 -13.223 1.00 0.00 H new ATOM 1680 N ALA A 102 2.377 4.909 -8.283 1.00 0.00 N ATOM 1681 CA ALA A 102 2.544 4.555 -6.880 1.00 0.00 C ATOM 1682 C ALA A 102 3.567 3.417 -6.717 1.00 0.00 C ATOM 1683 O ALA A 102 4.675 3.634 -6.191 1.00 0.00 O ATOM 1684 CB ALA A 102 1.182 4.177 -6.276 1.00 0.00 C ATOM 0 H ALA A 102 1.409 4.864 -8.602 1.00 0.00 H new ATOM 0 HA ALA A 102 2.934 5.418 -6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.310 3.913 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.501 5.024 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.768 3.326 -6.817 1.00 0.00 H new ATOM 1690 N LEU A 103 3.195 2.209 -7.184 1.00 0.00 N ATOM 1691 CA LEU A 103 4.013 0.989 -7.091 1.00 0.00 C ATOM 1692 C LEU A 103 5.311 1.160 -7.918 1.00 0.00 C ATOM 1693 O LEU A 103 6.384 0.706 -7.518 1.00 0.00 O ATOM 1694 CB LEU A 103 3.166 -0.200 -7.645 1.00 0.00 C ATOM 1695 CG LEU A 103 3.656 -1.643 -7.295 1.00 0.00 C ATOM 1696 CD1 LEU A 103 3.682 -1.878 -5.762 1.00 0.00 C ATOM 1697 CD2 LEU A 103 2.801 -2.719 -8.025 1.00 0.00 C ATOM 0 H LEU A 103 2.299 2.054 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 103 4.296 0.796 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.146 -0.090 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.125 -0.110 -8.730 1.00 0.00 H new ATOM 0 HG LEU A 103 4.681 -1.740 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.027 -2.891 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.358 -1.162 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.679 -1.747 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.165 -3.712 -7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.758 -2.623 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.880 -2.577 -9.103 1.00 0.00 H new ATOM 1709 N GLY A 104 5.150 1.794 -9.106 1.00 0.00 N ATOM 1710 CA GLY A 104 6.273 2.228 -9.937 1.00 0.00 C ATOM 1711 C GLY A 104 7.383 2.963 -9.211 1.00 0.00 C ATOM 1712 O GLY A 104 8.565 2.720 -9.495 1.00 0.00 O ATOM 0 H GLY A 104 4.236 2.013 -9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.701 1.352 -10.424 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.889 2.875 -10.725 1.00 0.00 H new ATOM 1716 N ARG A 105 7.047 3.855 -8.256 1.00 0.00 N ATOM 1717 CA ARG A 105 8.067 4.553 -7.468 1.00 0.00 C ATOM 1718 C ARG A 105 8.461 3.705 -6.265 1.00 0.00 C ATOM 1719 O ARG A 105 9.622 3.755 -5.836 1.00 0.00 O ATOM 1720 CB ARG A 105 7.586 5.955 -6.982 1.00 0.00 C ATOM 1721 CG ARG A 105 7.231 6.947 -8.107 1.00 0.00 C ATOM 1722 CD ARG A 105 7.027 8.392 -7.614 1.00 0.00 C ATOM 1723 NE ARG A 105 5.952 8.514 -6.609 1.00 0.00 N ATOM 1724 CZ ARG A 105 5.771 9.578 -5.810 1.00 0.00 C ATOM 1725 NH1 ARG A 105 6.597 10.615 -5.856 1.00 0.00 N ATOM 1726 NH2 ARG A 105 4.762 9.602 -4.957 1.00 0.00 N ATOM 0 H ARG A 105 6.086 4.103 -8.018 1.00 0.00 H new ATOM 0 HA ARG A 105 8.928 4.708 -8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.711 5.822 -6.346 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.367 6.396 -6.362 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.025 6.936 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.321 6.610 -8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 105 7.960 8.759 -7.186 1.00 0.00 H new ATOM 0 HD3 ARG A 105 6.794 9.031 -8.466 1.00 0.00 H new ATOM 0 HE ARG A 105 5.301 7.735 -6.515 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.384 10.612 -6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.445 11.415 -5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.119 8.812 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.626 10.411 -4.351 1.00 0.00 H new ATOM 1740 N GLU A 106 7.503 2.916 -5.713 1.00 0.00 N ATOM 1741 CA GLU A 106 7.695 2.156 -4.473 1.00 0.00 C ATOM 1742 C GLU A 106 8.755 1.066 -4.667 1.00 0.00 C ATOM 1743 O GLU A 106 9.801 1.109 -4.007 1.00 0.00 O ATOM 1744 CB GLU A 106 6.348 1.528 -4.013 1.00 0.00 C ATOM 1745 CG GLU A 106 6.436 0.614 -2.769 1.00 0.00 C ATOM 1746 CD GLU A 106 7.009 1.321 -1.521 1.00 0.00 C ATOM 1747 OE1 GLU A 106 6.256 2.041 -0.837 1.00 0.00 O ATOM 1748 OE2 GLU A 106 8.212 1.153 -1.213 1.00 0.00 O ATOM 0 H GLU A 106 6.577 2.796 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 106 8.044 2.839 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.644 2.333 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.934 0.950 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.441 0.234 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.059 -0.249 -3.006 1.00 0.00 H new ATOM 1755 N MET A 107 8.507 0.095 -5.594 1.00 0.00 N ATOM 1756 CA MET A 107 9.442 -1.019 -5.889 1.00 0.00 C ATOM 1757 C MET A 107 10.771 -0.482 -6.489 1.00 0.00 C ATOM 1758 O MET A 107 11.731 -1.233 -6.657 1.00 0.00 O ATOM 1759 CB MET A 107 8.750 -2.032 -6.872 1.00 0.00 C ATOM 1760 CG MET A 107 7.514 -2.776 -6.302 1.00 0.00 C ATOM 1761 SD MET A 107 6.402 -3.442 -7.571 1.00 0.00 S ATOM 1762 CE MET A 107 7.434 -4.545 -8.523 1.00 0.00 C ATOM 0 H MET A 107 7.654 0.068 -6.153 1.00 0.00 H new ATOM 0 HA MET A 107 9.688 -1.535 -4.961 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.446 -1.491 -7.768 1.00 0.00 H new ATOM 0 HB3 MET A 107 9.487 -2.773 -7.181 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.856 -3.594 -5.668 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.953 -2.092 -5.665 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.844 -4.998 -9.320 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.261 -3.984 -8.958 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.827 -5.327 -7.873 1.00 0.00 H new ATOM 1772 N GLY A 108 10.796 0.829 -6.816 1.00 0.00 N ATOM 1773 CA GLY A 108 12.018 1.535 -7.198 1.00 0.00 C ATOM 1774 C GLY A 108 12.341 1.413 -8.668 1.00 0.00 C ATOM 1775 O GLY A 108 13.517 1.343 -9.047 1.00 0.00 O ATOM 0 H GLY A 108 9.964 1.419 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.916 2.589 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.853 1.145 -6.616 1.00 0.00 H new ATOM 1779 N LEU A 109 11.300 1.375 -9.512 1.00 0.00 N ATOM 1780 CA LEU A 109 11.452 1.301 -10.970 1.00 0.00 C ATOM 1781 C LEU A 109 11.654 2.724 -11.518 1.00 0.00 C ATOM 1782 O LEU A 109 10.882 3.624 -11.185 1.00 0.00 O ATOM 1783 CB LEU A 109 10.199 0.642 -11.621 1.00 0.00 C ATOM 1784 CG LEU A 109 9.752 -0.731 -11.014 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.520 -1.302 -11.756 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.918 -1.753 -10.991 1.00 0.00 C ATOM 0 H LEU A 109 10.329 1.395 -9.202 1.00 0.00 H new ATOM 0 HA LEU A 109 12.317 0.685 -11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.365 1.340 -11.544 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.398 0.499 -12.683 1.00 0.00 H new ATOM 0 HG LEU A 109 9.459 -0.547 -9.980 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.236 -2.255 -11.310 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.689 -0.601 -11.675 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.766 -1.453 -12.807 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.569 -2.693 -10.563 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.271 -1.926 -12.008 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.735 -1.360 -10.386 1.00 0.00 H new ATOM 1798 N GLU A 110 12.714 2.921 -12.315 1.00 0.00 N ATOM 1799 CA GLU A 110 12.991 4.202 -13.018 1.00 0.00 C ATOM 1800 C GLU A 110 12.664 4.062 -14.524 1.00 0.00 C ATOM 1801 O GLU A 110 12.999 4.928 -15.333 1.00 0.00 O ATOM 1802 CB GLU A 110 14.471 4.602 -12.798 1.00 0.00 C ATOM 1803 CG GLU A 110 15.489 3.608 -13.384 1.00 0.00 C ATOM 1804 CD GLU A 110 16.933 3.904 -12.954 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.368 3.398 -11.896 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.634 4.660 -13.658 1.00 0.00 O ATOM 0 H GLU A 110 13.412 2.199 -12.497 1.00 0.00 H new ATOM 0 HA GLU A 110 12.357 4.990 -12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.640 5.582 -13.243 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.653 4.702 -11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.223 2.598 -13.072 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.428 3.633 -14.472 1.00 0.00 H new ATOM 1813 N GLU A 111 11.961 2.965 -14.855 1.00 0.00 N ATOM 1814 CA GLU A 111 11.573 2.641 -16.248 1.00 0.00 C ATOM 1815 C GLU A 111 10.279 1.806 -16.271 1.00 0.00 C ATOM 1816 O GLU A 111 9.968 1.096 -15.296 1.00 0.00 O ATOM 1817 CB GLU A 111 12.736 1.887 -16.941 1.00 0.00 C ATOM 1818 CG GLU A 111 13.086 0.534 -16.292 1.00 0.00 C ATOM 1819 CD GLU A 111 14.409 -0.045 -16.788 1.00 0.00 C ATOM 1820 OE1 GLU A 111 15.477 0.374 -16.283 1.00 0.00 O ATOM 1821 OE2 GLU A 111 14.398 -0.902 -17.690 1.00 0.00 O ATOM 0 H GLU A 111 11.645 2.278 -14.171 1.00 0.00 H new ATOM 0 HA GLU A 111 11.377 3.564 -16.793 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.474 1.719 -17.986 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.622 2.522 -16.932 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.134 0.659 -15.210 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.286 -0.178 -16.496 1.00 0.00 H new ATOM 1828 N MET A 112 9.503 1.942 -17.371 1.00 0.00 N ATOM 1829 CA MET A 112 8.247 1.203 -17.579 1.00 0.00 C ATOM 1830 C MET A 112 8.544 -0.289 -17.816 1.00 0.00 C ATOM 1831 O MET A 112 9.184 -0.674 -18.810 1.00 0.00 O ATOM 1832 CB MET A 112 7.454 1.775 -18.788 1.00 0.00 C ATOM 1833 CG MET A 112 6.253 0.908 -19.204 1.00 0.00 C ATOM 1834 SD MET A 112 5.129 1.698 -20.370 1.00 0.00 S ATOM 1835 CE MET A 112 4.301 2.875 -19.303 1.00 0.00 C ATOM 0 H MET A 112 9.736 2.571 -18.139 1.00 0.00 H new ATOM 0 HA MET A 112 7.638 1.316 -16.682 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.100 2.775 -18.539 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.129 1.878 -19.638 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.624 -0.016 -19.646 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.694 0.632 -18.310 1.00 0.00 H new ATOM 0 HE1 MET A 112 4.229 3.837 -19.810 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.300 2.512 -19.068 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.870 2.993 -18.381 1.00 0.00 H new ATOM 1845 N THR A 113 8.055 -1.114 -16.901 1.00 0.00 N ATOM 1846 CA THR A 113 8.277 -2.556 -16.952 1.00 0.00 C ATOM 1847 C THR A 113 6.941 -3.204 -17.392 1.00 0.00 C ATOM 1848 O THR A 113 5.901 -2.523 -17.377 1.00 0.00 O ATOM 1849 CB THR A 113 8.709 -3.052 -15.527 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.663 -2.136 -14.965 1.00 0.00 O ATOM 1851 CG2 THR A 113 9.336 -4.454 -15.554 1.00 0.00 C ATOM 0 H THR A 113 7.496 -0.807 -16.105 1.00 0.00 H new ATOM 0 HA THR A 113 9.066 -2.826 -17.654 1.00 0.00 H new ATOM 0 HB THR A 113 7.805 -3.098 -14.920 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.049 -2.524 -14.152 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.616 -4.747 -14.542 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.614 -5.168 -15.952 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.223 -4.444 -16.187 1.00 0.00 H new ATOM 1859 N GLY A 114 6.941 -4.495 -17.773 1.00 0.00 N ATOM 1860 CA GLY A 114 5.684 -5.213 -17.989 1.00 0.00 C ATOM 1861 C GLY A 114 5.826 -6.720 -17.834 1.00 0.00 C ATOM 1862 O GLY A 114 6.759 -7.317 -18.360 1.00 0.00 O ATOM 0 H GLY A 114 7.783 -5.048 -17.933 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.938 -4.849 -17.282 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.311 -4.990 -18.989 1.00 0.00 H new ATOM 1866 N PHE A 115 4.885 -7.323 -17.103 1.00 0.00 N ATOM 1867 CA PHE A 115 4.866 -8.758 -16.788 1.00 0.00 C ATOM 1868 C PHE A 115 3.588 -9.377 -17.369 1.00 0.00 C ATOM 1869 O PHE A 115 2.627 -8.647 -17.647 1.00 0.00 O ATOM 1870 CB PHE A 115 4.874 -8.954 -15.242 1.00 0.00 C ATOM 1871 CG PHE A 115 5.925 -8.141 -14.474 1.00 0.00 C ATOM 1872 CD1 PHE A 115 5.668 -6.818 -14.093 1.00 0.00 C ATOM 1873 CD2 PHE A 115 7.157 -8.692 -14.125 1.00 0.00 C ATOM 1874 CE1 PHE A 115 6.605 -6.083 -13.392 1.00 0.00 C ATOM 1875 CE2 PHE A 115 8.091 -7.954 -13.425 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.816 -6.651 -13.057 1.00 0.00 C ATOM 0 H PHE A 115 4.095 -6.817 -16.703 1.00 0.00 H new ATOM 0 HA PHE A 115 5.744 -9.240 -17.218 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.888 -8.695 -14.856 1.00 0.00 H new ATOM 0 HB3 PHE A 115 5.032 -10.011 -15.029 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.722 -6.365 -14.351 1.00 0.00 H new ATOM 0 HD2 PHE A 115 7.384 -9.710 -14.406 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.389 -5.064 -13.107 1.00 0.00 H new ATOM 0 HE2 PHE A 115 9.041 -8.397 -13.164 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.548 -6.078 -12.508 1.00 0.00 H new ATOM 1886 N SER A 116 3.572 -10.717 -17.532 1.00 0.00 N ATOM 1887 CA SER A 116 2.301 -11.429 -17.771 1.00 0.00 C ATOM 1888 C SER A 116 2.439 -12.951 -17.532 1.00 0.00 C ATOM 1889 O SER A 116 3.539 -13.492 -17.298 1.00 0.00 O ATOM 1890 CB SER A 116 1.841 -11.180 -19.248 1.00 0.00 C ATOM 1891 OG SER A 116 0.525 -11.674 -19.488 1.00 0.00 O ATOM 0 H SER A 116 4.400 -11.313 -17.504 1.00 0.00 H new ATOM 0 HA SER A 116 1.563 -11.044 -17.067 1.00 0.00 H new ATOM 0 HB2 SER A 116 1.872 -10.112 -19.462 1.00 0.00 H new ATOM 0 HB3 SER A 116 2.540 -11.662 -19.932 1.00 0.00 H new ATOM 0 HG SER A 116 0.086 -11.119 -20.166 1.00 0.00 H new ATOM 1897 N LYS A 117 1.277 -13.615 -17.630 1.00 0.00 N ATOM 1898 CA LYS A 117 1.137 -15.074 -17.697 1.00 0.00 C ATOM 1899 C LYS A 117 1.211 -15.551 -19.160 1.00 0.00 C ATOM 1900 O LYS A 117 1.281 -16.757 -19.429 1.00 0.00 O ATOM 1901 CB LYS A 117 -0.224 -15.488 -17.070 1.00 0.00 C ATOM 1902 CG LYS A 117 -0.334 -15.256 -15.544 1.00 0.00 C ATOM 1903 CD LYS A 117 0.598 -16.187 -14.729 1.00 0.00 C ATOM 1904 CE LYS A 117 0.340 -17.688 -14.991 1.00 0.00 C ATOM 1905 NZ LYS A 117 1.263 -18.562 -14.220 1.00 0.00 N ATOM 0 H LYS A 117 0.379 -13.132 -17.666 1.00 0.00 H new ATOM 0 HA LYS A 117 1.951 -15.539 -17.140 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -1.020 -14.933 -17.566 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -0.396 -16.544 -17.276 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.090 -14.218 -15.320 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.365 -15.416 -15.230 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.635 -15.955 -14.972 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.466 -15.982 -13.666 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.690 -17.929 -14.727 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.453 -17.893 -16.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.207 -19.534 -14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.237 -18.211 -14.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.992 -18.553 -13.216 1.00 0.00 H new ATOM 1919 N THR A 118 1.209 -14.586 -20.092 1.00 0.00 N ATOM 1920 CA THR A 118 1.171 -14.833 -21.534 1.00 0.00 C ATOM 1921 C THR A 118 2.499 -14.379 -22.144 1.00 0.00 C ATOM 1922 O THR A 118 3.073 -13.377 -21.696 1.00 0.00 O ATOM 1923 CB THR A 118 -0.023 -14.061 -22.220 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.886 -13.466 -21.229 1.00 0.00 O ATOM 1925 CG2 THR A 118 -0.861 -14.982 -23.123 1.00 0.00 C ATOM 0 H THR A 118 1.234 -13.594 -19.856 1.00 0.00 H new ATOM 0 HA THR A 118 1.018 -15.899 -21.704 1.00 0.00 H new ATOM 0 HB THR A 118 0.424 -13.281 -22.837 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.366 -12.853 -20.668 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.671 -14.410 -23.575 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.228 -15.396 -23.908 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.278 -15.794 -22.527 1.00 0.00 H new ATOM 1933 N THR A 119 2.965 -15.118 -23.161 1.00 0.00 N ATOM 1934 CA THR A 119 4.222 -14.831 -23.865 1.00 0.00 C ATOM 1935 C THR A 119 4.154 -13.488 -24.623 1.00 0.00 C ATOM 1936 O THR A 119 3.120 -13.150 -25.205 1.00 0.00 O ATOM 1937 CB THR A 119 4.600 -16.004 -24.846 1.00 0.00 C ATOM 1938 OG1 THR A 119 5.826 -15.713 -25.536 1.00 0.00 O ATOM 1939 CG2 THR A 119 3.490 -16.305 -25.876 1.00 0.00 C ATOM 0 H THR A 119 2.476 -15.938 -23.520 1.00 0.00 H new ATOM 0 HA THR A 119 5.005 -14.748 -23.112 1.00 0.00 H new ATOM 0 HB THR A 119 4.725 -16.892 -24.227 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.046 -16.453 -26.139 1.00 0.00 H new ATOM 0 HG21 THR A 119 3.807 -17.122 -26.524 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.577 -16.590 -25.354 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.302 -15.416 -26.478 1.00 0.00 H new ATOM 1947 N PHE A 120 5.248 -12.717 -24.547 1.00 0.00 N ATOM 1948 CA PHE A 120 5.492 -11.540 -25.393 1.00 0.00 C ATOM 1949 C PHE A 120 7.031 -11.370 -25.536 1.00 0.00 C ATOM 1950 O PHE A 120 7.637 -10.451 -24.952 1.00 0.00 O ATOM 1951 CB PHE A 120 4.745 -10.266 -24.858 1.00 0.00 C ATOM 1952 CG PHE A 120 5.055 -9.812 -23.422 1.00 0.00 C ATOM 1953 CD1 PHE A 120 4.737 -10.612 -22.329 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.671 -8.580 -23.178 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.022 -10.202 -21.047 1.00 0.00 C ATOM 1956 CE2 PHE A 120 5.956 -8.178 -21.893 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.633 -8.988 -20.830 1.00 0.00 C ATOM 1958 OXT PHE A 120 7.642 -12.241 -26.187 1.00 0.00 O ATOM 0 H PHE A 120 6.002 -12.897 -23.884 1.00 0.00 H new ATOM 0 HA PHE A 120 5.072 -11.684 -26.388 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.971 -9.437 -25.529 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.673 -10.450 -24.929 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.260 -11.568 -22.489 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.926 -7.937 -24.007 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.766 -10.834 -20.209 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.434 -7.225 -21.719 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.859 -8.671 -19.823 1.00 0.00 H new TER 1968 PHE A 120