USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1024 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 80 LYS NZ :NH3+ -172:sc=-0.000888 (180deg=0) USER MOD Set 1.2: A 105 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.53) USER MOD Set 2.1: A 15 GLN : amide:sc= 0 X(o=-0.32,f=-0.32) USER MOD Set 2.2: A 17 THR OG1 : rot 180:sc= -0.325 USER MOD Set 3.1: A 8 LYS NZ :NH3+ -136:sc= -0.36 (180deg=0) USER MOD Set 3.2: A 50 ASN : amide:sc= -3.95! C(o=-4.3!,f=-5.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc=-0.00923 (180deg=-0.343) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.34 K(o=-0.34,f=-2.8!) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0.449 (180deg=0.449) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.09 K(o=-1.1,f=-9.1!) USER MOD Single : A 44 MET CE :methyl -133:sc= -0.8 (180deg=-2.74!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 162:sc= -5.08! (180deg=-5.96!) USER MOD Single : A 49 GLN : amide:sc=-0.00358 X(o=-0.0036,f=-0.0062) USER MOD Single : A 52 HIS : no HE2:sc= -13.4! C(o=-13!,f=-20!) USER MOD Single : A 53 HIS : no HD1:sc= -0.0475 X(o=-0.047,f=-0.5) USER MOD Single : A 57 SER OG : rot 180:sc= -0.835! USER MOD Single : A 60 ASN : amide:sc= 0.998 K(o=1,f=-0.84) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.046 X(o=-0.046,f=-0.3) USER MOD Single : A 76 ASN : amide:sc= -0.0528 X(o=-0.053,f=-0.069) USER MOD Single : A 79 THR OG1 : rot 147:sc= -1.85! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 83:sc= -0.763! USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 97 GLN : amide:sc= -0.0522 X(o=-0.052,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -3.39 K(o=-3.4,f=-6.6!) USER MOD Single : A 110 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0394) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0447 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 178:sc= 0.132 (180deg=0.131) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.963 -17.396 -12.817 1.00 0.00 N ATOM 2 CA MET A 1 -1.906 -16.090 -13.450 1.00 0.00 C ATOM 3 C MET A 1 -2.468 -16.145 -14.872 1.00 0.00 C ATOM 4 O MET A 1 -1.712 -16.177 -15.842 1.00 0.00 O ATOM 5 CB MET A 1 -0.455 -15.606 -13.493 1.00 0.00 C ATOM 6 CG MET A 1 0.068 -15.316 -12.085 1.00 0.00 C ATOM 7 SD MET A 1 1.773 -14.792 -12.162 1.00 0.00 S ATOM 8 CE MET A 1 2.536 -16.075 -11.185 1.00 0.00 C ATOM 0 H1 MET A 1 -1.855 -17.288 -11.788 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.879 -17.842 -13.024 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.196 -17.994 -13.185 1.00 0.00 H new ATOM 0 HA MET A 1 -2.512 -15.397 -12.866 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.170 -16.362 -13.969 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.386 -14.705 -14.103 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.538 -14.541 -11.616 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.019 -16.208 -11.465 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.610 -15.900 -11.130 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.115 -16.066 -10.180 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.349 -17.044 -11.648 1.00 0.00 H new ATOM 18 N SER A 2 -3.791 -16.154 -14.952 1.00 0.00 N ATOM 19 CA SER A 2 -4.463 -16.205 -16.238 1.00 0.00 C ATOM 20 C SER A 2 -4.520 -14.805 -16.854 1.00 0.00 C ATOM 21 O SER A 2 -4.330 -14.645 -18.060 1.00 0.00 O ATOM 22 CB SER A 2 -5.873 -16.782 -16.101 1.00 0.00 C ATOM 23 OG SER A 2 -5.982 -18.072 -16.697 1.00 0.00 O ATOM 0 H SER A 2 -4.415 -16.127 -14.146 1.00 0.00 H new ATOM 0 HA SER A 2 -3.894 -16.862 -16.895 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.137 -16.847 -15.046 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.589 -16.105 -16.568 1.00 0.00 H new ATOM 0 HG SER A 2 -6.896 -18.407 -16.587 1.00 0.00 H new ATOM 29 N LEU A 3 -4.783 -13.828 -15.999 1.00 0.00 N ATOM 30 CA LEU A 3 -4.868 -12.448 -16.445 1.00 0.00 C ATOM 31 C LEU A 3 -4.379 -11.524 -15.326 1.00 0.00 C ATOM 32 O LEU A 3 -3.761 -11.981 -14.366 1.00 0.00 O ATOM 33 CB LEU A 3 -6.283 -12.127 -16.932 1.00 0.00 C ATOM 34 CG LEU A 3 -7.410 -12.954 -16.309 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.058 -13.370 -14.879 1.00 0.00 C ATOM 36 CD2 LEU A 3 -8.741 -12.205 -16.377 1.00 0.00 C ATOM 0 H LEU A 3 -4.940 -13.964 -15.000 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.216 -12.285 -17.303 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.482 -11.073 -16.738 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.314 -12.263 -18.013 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.525 -13.868 -16.891 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.875 -13.956 -14.459 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.148 -13.970 -14.888 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.900 -12.480 -14.270 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.525 -12.815 -15.928 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.657 -11.264 -15.834 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.991 -12.002 -17.418 1.00 0.00 H new ATOM 48 N ALA A 4 -4.673 -10.243 -15.489 1.00 0.00 N ATOM 49 CA ALA A 4 -4.271 -9.251 -14.505 1.00 0.00 C ATOM 50 C ALA A 4 -4.812 -9.654 -13.132 1.00 0.00 C ATOM 51 O ALA A 4 -4.300 -9.211 -12.105 1.00 0.00 O ATOM 52 CB ALA A 4 -4.761 -7.870 -14.943 1.00 0.00 C ATOM 0 H ALA A 4 -5.185 -9.868 -16.288 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.185 -9.202 -14.430 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.460 -7.126 -14.205 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.325 -7.619 -15.910 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.848 -7.879 -15.026 1.00 0.00 H new ATOM 58 N GLU A 5 -5.841 -10.489 -13.158 1.00 0.00 N ATOM 59 CA GLU A 5 -6.457 -10.955 -11.928 1.00 0.00 C ATOM 60 C GLU A 5 -5.400 -11.123 -10.835 1.00 0.00 C ATOM 61 O GLU A 5 -5.559 -10.609 -9.728 1.00 0.00 O ATOM 62 CB GLU A 5 -7.220 -12.262 -12.158 1.00 0.00 C ATOM 63 CG GLU A 5 -7.825 -12.781 -10.851 1.00 0.00 C ATOM 64 CD GLU A 5 -7.401 -14.227 -10.588 1.00 0.00 C ATOM 65 OE1 GLU A 5 -6.183 -14.437 -10.404 1.00 0.00 O ATOM 66 OE2 GLU A 5 -8.306 -15.090 -10.576 1.00 0.00 O ATOM 0 H GLU A 5 -6.263 -10.854 -14.012 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.176 -10.205 -11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.011 -12.101 -12.891 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.547 -13.012 -12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.507 -12.148 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.912 -12.720 -10.900 1.00 0.00 H new ATOM 73 N LYS A 6 -4.344 -11.844 -11.183 1.00 0.00 N ATOM 74 CA LYS A 6 -3.261 -12.086 -10.245 1.00 0.00 C ATOM 75 C LYS A 6 -3.010 -10.819 -9.425 1.00 0.00 C ATOM 76 O LYS A 6 -2.708 -10.895 -8.236 1.00 0.00 O ATOM 77 CB LYS A 6 -2.020 -12.599 -10.980 1.00 0.00 C ATOM 78 CG LYS A 6 -0.809 -12.641 -10.047 1.00 0.00 C ATOM 79 CD LYS A 6 -0.915 -13.808 -9.063 1.00 0.00 C ATOM 80 CE LYS A 6 -0.720 -13.329 -7.623 1.00 0.00 C ATOM 81 NZ LYS A 6 -0.760 -14.475 -6.686 1.00 0.00 N ATOM 0 H LYS A 6 -4.215 -12.268 -12.102 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.535 -12.873 -9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.213 -13.596 -11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.805 -11.954 -11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.104 -12.738 -10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.736 -11.703 -9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.890 -14.285 -9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.165 -14.561 -9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.234 -12.810 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.499 -12.612 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.626 -14.133 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.681 -14.953 -6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.001 -15.145 -6.925 1.00 0.00 H new ATOM 95 N ILE A 7 -3.145 -9.683 -10.094 1.00 0.00 N ATOM 96 CA ILE A 7 -2.936 -8.401 -9.442 1.00 0.00 C ATOM 97 C ILE A 7 -4.090 -8.133 -8.474 1.00 0.00 C ATOM 98 O ILE A 7 -5.239 -8.464 -8.765 1.00 0.00 O ATOM 99 CB ILE A 7 -2.735 -7.297 -10.481 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.509 -7.580 -11.352 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.659 -5.923 -9.814 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.917 -8.199 -12.690 1.00 0.00 C ATOM 0 H ILE A 7 -3.396 -9.624 -11.081 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.021 -8.419 -8.851 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.603 -7.287 -11.140 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.962 -6.654 -11.528 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.833 -8.255 -10.826 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.516 -5.156 -10.575 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.586 -5.729 -9.274 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.821 -5.903 -9.117 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.027 -8.390 -13.289 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.442 -9.137 -12.512 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.573 -7.512 -13.224 1.00 0.00 H new ATOM 114 N LYS A 8 -3.745 -7.535 -7.343 1.00 0.00 N ATOM 115 CA LYS A 8 -4.738 -7.219 -6.331 1.00 0.00 C ATOM 116 C LYS A 8 -4.284 -5.988 -5.544 1.00 0.00 C ATOM 117 O LYS A 8 -3.097 -5.831 -5.262 1.00 0.00 O ATOM 118 CB LYS A 8 -5.017 -8.440 -5.453 1.00 0.00 C ATOM 119 CG LYS A 8 -6.438 -8.963 -5.677 1.00 0.00 C ATOM 120 CD LYS A 8 -7.470 -8.037 -5.032 1.00 0.00 C ATOM 121 CE LYS A 8 -7.594 -8.312 -3.532 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.718 -9.237 -3.266 1.00 0.00 N ATOM 0 H LYS A 8 -2.792 -7.261 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.690 -6.967 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.296 -9.226 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.884 -8.176 -4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.635 -9.045 -6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.531 -9.965 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.181 -6.998 -5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.439 -8.176 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.665 -8.742 -3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.751 -7.376 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.265 -8.894 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.335 -9.283 -4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.345 -10.185 -3.058 1.00 0.00 H new ATOM 136 N VAL A 9 -5.252 -5.146 -5.213 1.00 0.00 N ATOM 137 CA VAL A 9 -4.966 -3.933 -4.464 1.00 0.00 C ATOM 138 C VAL A 9 -5.853 -3.887 -3.219 1.00 0.00 C ATOM 139 O VAL A 9 -7.040 -4.203 -3.285 1.00 0.00 O ATOM 140 CB VAL A 9 -5.138 -2.709 -5.367 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.783 -2.195 -5.857 1.00 0.00 C ATOM 142 CG2 VAL A 9 -6.065 -3.021 -6.543 1.00 0.00 C ATOM 0 H VAL A 9 -6.235 -5.279 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.930 -3.928 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.602 -1.919 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.933 -1.325 -6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.169 -1.914 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.280 -2.979 -6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.170 -2.135 -7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.643 -3.834 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.044 -3.317 -6.166 1.00 0.00 H new ATOM 152 N LEU A 10 -5.243 -3.491 -2.111 1.00 0.00 N ATOM 153 CA LEU A 10 -5.961 -3.400 -0.852 1.00 0.00 C ATOM 154 C LEU A 10 -5.932 -1.953 -0.357 1.00 0.00 C ATOM 155 O LEU A 10 -4.862 -1.399 -0.111 1.00 0.00 O ATOM 156 CB LEU A 10 -5.406 -4.407 0.157 1.00 0.00 C ATOM 157 CG LEU A 10 -5.301 -3.920 1.603 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.056 -3.052 1.801 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.578 -3.194 2.031 1.00 0.00 C ATOM 0 H LEU A 10 -4.258 -3.229 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.008 -3.669 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.038 -5.295 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.414 -4.714 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.193 -4.791 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.006 -2.719 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.165 -3.634 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.109 -2.184 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.477 -2.858 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.741 -2.333 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.427 -3.873 1.952 1.00 0.00 H new ATOM 171 N ILE A 11 -7.120 -1.382 -0.225 1.00 0.00 N ATOM 172 CA ILE A 11 -7.244 -0.010 0.236 1.00 0.00 C ATOM 173 C ILE A 11 -7.951 0.006 1.593 1.00 0.00 C ATOM 174 O ILE A 11 -9.176 0.091 1.658 1.00 0.00 O ATOM 175 CB ILE A 11 -7.930 0.853 -0.825 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.239 0.212 -1.290 1.00 0.00 C ATOM 177 CG2 ILE A 11 -6.985 1.140 -1.993 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.984 -0.818 -2.392 1.00 0.00 C ATOM 0 H ILE A 11 -8.006 -1.845 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.259 0.432 0.384 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.184 1.812 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.733 -0.269 -0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.915 0.984 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.497 1.755 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.105 1.669 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.678 0.200 -2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.931 -1.259 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.512 -0.329 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.327 -1.601 -2.013 1.00 0.00 H new ATOM 190 N VAL A 12 -7.147 -0.078 2.644 1.00 0.00 N ATOM 191 CA VAL A 12 -7.681 -0.075 3.995 1.00 0.00 C ATOM 192 C VAL A 12 -7.007 1.036 4.803 1.00 0.00 C ATOM 193 O VAL A 12 -5.793 1.222 4.715 1.00 0.00 O ATOM 194 CB VAL A 12 -7.516 -1.458 4.627 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.072 -1.685 5.081 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.493 -1.652 5.787 1.00 0.00 C ATOM 0 H VAL A 12 -6.131 -0.148 2.587 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.750 0.135 3.982 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.749 -2.203 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.982 -2.676 5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.405 -1.612 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.799 -0.930 5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.354 -2.644 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.307 -0.896 6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.515 -1.555 5.422 1.00 0.00 H new ATOM 206 N ASP A 13 -7.821 1.743 5.572 1.00 0.00 N ATOM 207 CA ASP A 13 -7.317 2.830 6.395 1.00 0.00 C ATOM 208 C ASP A 13 -8.154 2.927 7.671 1.00 0.00 C ATOM 209 O ASP A 13 -9.183 2.264 7.796 1.00 0.00 O ATOM 210 CB ASP A 13 -7.416 4.168 5.661 1.00 0.00 C ATOM 211 CG ASP A 13 -6.851 4.169 4.238 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.189 3.225 3.493 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.094 5.114 3.930 1.00 0.00 O ATOM 0 H ASP A 13 -8.826 1.585 5.643 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.272 2.622 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.464 4.466 5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.892 4.925 6.244 1.00 0.00 H new ATOM 218 N ASP A 14 -7.683 3.760 8.588 1.00 0.00 N ATOM 219 CA ASP A 14 -8.376 3.953 9.851 1.00 0.00 C ATOM 220 C ASP A 14 -9.567 4.889 9.636 1.00 0.00 C ATOM 221 O ASP A 14 -10.473 4.947 10.465 1.00 0.00 O ATOM 222 CB ASP A 14 -7.454 4.590 10.893 1.00 0.00 C ATOM 223 CG ASP A 14 -7.671 4.108 12.329 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.772 4.375 12.857 1.00 0.00 O ATOM 225 OD2 ASP A 14 -6.730 3.484 12.865 1.00 0.00 O ATOM 0 H ASP A 14 -6.830 4.309 8.481 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.704 2.977 10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.420 4.391 10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.590 5.671 10.864 1.00 0.00 H new ATOM 230 N GLN A 15 -9.525 5.600 8.519 1.00 0.00 N ATOM 231 CA GLN A 15 -10.590 6.531 8.184 1.00 0.00 C ATOM 232 C GLN A 15 -10.880 6.488 6.682 1.00 0.00 C ATOM 233 O GLN A 15 -9.959 6.510 5.868 1.00 0.00 O ATOM 234 CB GLN A 15 -10.238 7.950 8.635 1.00 0.00 C ATOM 235 CG GLN A 15 -11.453 8.646 9.252 1.00 0.00 C ATOM 236 CD GLN A 15 -11.034 9.894 10.030 1.00 0.00 C ATOM 237 OE1 GLN A 15 -10.570 9.828 11.157 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.221 11.033 9.369 1.00 0.00 N ATOM 0 H GLN A 15 -8.771 5.550 7.834 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.492 6.229 8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.427 7.914 9.362 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.877 8.527 7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.156 8.922 8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.973 7.956 9.917 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.614 11.018 8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.971 11.922 9.803 1.00 0.00 H new ATOM 247 N VAL A 16 -12.164 6.429 6.361 1.00 0.00 N ATOM 248 CA VAL A 16 -12.587 6.384 4.972 1.00 0.00 C ATOM 249 C VAL A 16 -11.874 7.489 4.191 1.00 0.00 C ATOM 250 O VAL A 16 -11.259 7.225 3.159 1.00 0.00 O ATOM 251 CB VAL A 16 -14.112 6.479 4.886 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.750 5.088 4.920 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.669 7.366 6.001 1.00 0.00 C ATOM 0 H VAL A 16 -12.925 6.411 7.039 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.308 5.433 4.518 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.367 6.941 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.834 5.183 4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.388 4.501 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.483 4.588 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.755 7.417 5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.399 6.945 6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.251 8.369 5.912 1.00 0.00 H new ATOM 263 N THR A 17 -11.981 8.701 4.712 1.00 0.00 N ATOM 264 CA THR A 17 -11.353 9.848 4.075 1.00 0.00 C ATOM 265 C THR A 17 -9.973 9.469 3.535 1.00 0.00 C ATOM 266 O THR A 17 -9.674 9.705 2.366 1.00 0.00 O ATOM 267 CB THR A 17 -11.316 10.991 5.092 1.00 0.00 C ATOM 268 OG1 THR A 17 -10.497 10.491 6.145 1.00 0.00 O ATOM 269 CG2 THR A 17 -12.674 11.230 5.755 1.00 0.00 C ATOM 0 H THR A 17 -12.493 8.915 5.568 1.00 0.00 H new ATOM 0 HA THR A 17 -11.924 10.182 3.209 1.00 0.00 H new ATOM 0 HB THR A 17 -10.989 11.906 4.598 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.418 11.169 6.848 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.592 12.051 6.467 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.411 11.483 4.993 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.988 10.326 6.278 1.00 0.00 H new ATOM 277 N SER A 18 -9.170 8.886 4.412 1.00 0.00 N ATOM 278 CA SER A 18 -7.827 8.472 4.038 1.00 0.00 C ATOM 279 C SER A 18 -7.897 7.381 2.968 1.00 0.00 C ATOM 280 O SER A 18 -7.288 7.508 1.907 1.00 0.00 O ATOM 281 CB SER A 18 -7.046 7.973 5.255 1.00 0.00 C ATOM 282 OG SER A 18 -6.897 8.986 6.246 1.00 0.00 O ATOM 0 H SER A 18 -9.423 8.690 5.381 1.00 0.00 H new ATOM 0 HA SER A 18 -7.301 9.337 3.633 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.560 7.115 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.062 7.629 4.938 1.00 0.00 H new ATOM 0 HG SER A 18 -6.395 8.628 7.007 1.00 0.00 H new ATOM 288 N ARG A 19 -8.644 6.333 3.283 1.00 0.00 N ATOM 289 CA ARG A 19 -8.800 5.220 2.361 1.00 0.00 C ATOM 290 C ARG A 19 -9.507 5.683 1.086 1.00 0.00 C ATOM 291 O ARG A 19 -8.890 5.764 0.025 1.00 0.00 O ATOM 292 CB ARG A 19 -9.603 4.085 2.999 1.00 0.00 C ATOM 293 CG ARG A 19 -9.555 2.825 2.133 1.00 0.00 C ATOM 294 CD ARG A 19 -10.764 2.756 1.198 1.00 0.00 C ATOM 295 NE ARG A 19 -12.016 2.778 1.987 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.417 1.782 2.788 1.00 0.00 C ATOM 297 NH1 ARG A 19 -11.668 0.678 2.911 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.569 1.889 3.466 1.00 0.00 N ATOM 0 H ARG A 19 -9.148 6.231 4.164 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.805 4.851 2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.205 3.865 3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.638 4.398 3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.636 2.817 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.533 1.941 2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.746 3.597 0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.719 1.847 0.598 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.611 3.604 1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.792 0.596 2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.974 -0.080 3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.140 2.729 3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.874 1.130 4.076 1.00 0.00 H new ATOM 312 N LEU A 20 -10.790 5.976 1.232 1.00 0.00 N ATOM 313 CA LEU A 20 -11.588 6.428 0.105 1.00 0.00 C ATOM 314 C LEU A 20 -10.759 7.391 -0.747 1.00 0.00 C ATOM 315 O LEU A 20 -10.941 7.465 -1.961 1.00 0.00 O ATOM 316 CB LEU A 20 -12.913 7.020 0.590 1.00 0.00 C ATOM 317 CG LEU A 20 -13.156 8.491 0.245 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.530 8.950 0.738 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.029 9.374 0.785 1.00 0.00 C ATOM 0 H LEU A 20 -11.298 5.909 2.114 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.857 5.587 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.727 6.429 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -12.963 6.908 1.673 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.153 8.592 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.677 9.999 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.306 8.348 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.587 8.831 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.226 10.414 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.976 9.274 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.081 9.064 0.345 1.00 0.00 H new ATOM 331 N LEU A 21 -9.866 8.105 -0.077 1.00 0.00 N ATOM 332 CA LEU A 21 -9.008 9.060 -0.757 1.00 0.00 C ATOM 333 C LEU A 21 -8.046 8.308 -1.679 1.00 0.00 C ATOM 334 O LEU A 21 -7.941 8.623 -2.863 1.00 0.00 O ATOM 335 CB LEU A 21 -8.307 9.967 0.255 1.00 0.00 C ATOM 336 CG LEU A 21 -9.040 11.259 0.618 1.00 0.00 C ATOM 337 CD1 LEU A 21 -8.523 11.830 1.941 1.00 0.00 C ATOM 338 CD2 LEU A 21 -8.952 12.278 -0.520 1.00 0.00 C ATOM 0 H LEU A 21 -9.718 8.041 0.930 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.601 9.723 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.141 9.398 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.325 10.228 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.095 11.025 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.061 12.749 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.681 11.103 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.458 12.046 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.481 13.187 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.906 12.514 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.406 11.860 -1.419 1.00 0.00 H new ATOM 350 N LEU A 22 -7.368 7.327 -1.101 1.00 0.00 N ATOM 351 CA LEU A 22 -6.418 6.528 -1.857 1.00 0.00 C ATOM 352 C LEU A 22 -7.176 5.646 -2.850 1.00 0.00 C ATOM 353 O LEU A 22 -6.803 5.561 -4.020 1.00 0.00 O ATOM 354 CB LEU A 22 -5.506 5.744 -0.910 1.00 0.00 C ATOM 355 CG LEU A 22 -6.211 4.885 0.142 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.877 3.667 -0.501 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.247 4.486 1.261 1.00 0.00 C ATOM 0 H LEU A 22 -7.458 7.067 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.758 7.171 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.864 5.097 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.855 6.451 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.001 5.483 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.371 3.074 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.614 3.999 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.121 3.059 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.774 3.876 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.419 3.914 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.860 5.383 1.745 1.00 0.00 H new ATOM 369 N GLY A 23 -8.226 5.012 -2.350 1.00 0.00 N ATOM 370 CA GLY A 23 -9.039 4.140 -3.180 1.00 0.00 C ATOM 371 C GLY A 23 -9.593 4.895 -4.390 1.00 0.00 C ATOM 372 O GLY A 23 -9.780 4.312 -5.456 1.00 0.00 O ATOM 0 H GLY A 23 -8.533 5.085 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.442 3.293 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.862 3.735 -2.591 1.00 0.00 H new ATOM 376 N ASP A 24 -9.837 6.181 -4.185 1.00 0.00 N ATOM 377 CA ASP A 24 -10.365 7.021 -5.246 1.00 0.00 C ATOM 378 C ASP A 24 -9.252 7.325 -6.251 1.00 0.00 C ATOM 379 O ASP A 24 -9.440 7.172 -7.457 1.00 0.00 O ATOM 380 CB ASP A 24 -10.877 8.352 -4.692 1.00 0.00 C ATOM 381 CG ASP A 24 -12.351 8.356 -4.280 1.00 0.00 C ATOM 382 OD1 ASP A 24 -12.955 7.263 -4.323 1.00 0.00 O ATOM 383 OD2 ASP A 24 -12.840 9.453 -3.932 1.00 0.00 O ATOM 0 H ASP A 24 -9.679 6.662 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.188 6.487 -5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.273 8.625 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.723 9.125 -5.445 1.00 0.00 H new ATOM 388 N ALA A 25 -8.116 7.749 -5.718 1.00 0.00 N ATOM 389 CA ALA A 25 -6.972 8.075 -6.552 1.00 0.00 C ATOM 390 C ALA A 25 -6.454 6.800 -7.221 1.00 0.00 C ATOM 391 O ALA A 25 -6.154 6.799 -8.414 1.00 0.00 O ATOM 392 CB ALA A 25 -5.901 8.766 -5.705 1.00 0.00 C ATOM 0 H ALA A 25 -7.963 7.874 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.259 8.769 -7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.043 9.010 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.310 9.681 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.586 8.099 -4.902 1.00 0.00 H new ATOM 398 N LEU A 26 -6.365 5.746 -6.423 1.00 0.00 N ATOM 399 CA LEU A 26 -5.888 4.468 -6.923 1.00 0.00 C ATOM 400 C LEU A 26 -6.750 4.036 -8.111 1.00 0.00 C ATOM 401 O LEU A 26 -6.227 3.651 -9.156 1.00 0.00 O ATOM 402 CB LEU A 26 -5.836 3.437 -5.794 1.00 0.00 C ATOM 403 CG LEU A 26 -4.544 3.404 -4.975 1.00 0.00 C ATOM 404 CD1 LEU A 26 -3.317 3.406 -5.887 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.508 4.550 -3.962 1.00 0.00 C ATOM 0 H LEU A 26 -6.615 5.751 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.865 4.559 -7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.668 3.628 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.996 2.448 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.522 2.473 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.412 3.382 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.343 2.529 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.320 4.308 -6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.579 4.504 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.564 5.503 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.355 4.461 -3.282 1.00 0.00 H new ATOM 417 N GLN A 27 -8.058 4.114 -7.911 1.00 0.00 N ATOM 418 CA GLN A 27 -8.998 3.736 -8.953 1.00 0.00 C ATOM 419 C GLN A 27 -8.796 4.609 -10.193 1.00 0.00 C ATOM 420 O GLN A 27 -9.011 4.157 -11.316 1.00 0.00 O ATOM 421 CB GLN A 27 -10.440 3.826 -8.449 1.00 0.00 C ATOM 422 CG GLN A 27 -10.920 5.278 -8.417 1.00 0.00 C ATOM 423 CD GLN A 27 -12.340 5.398 -8.974 1.00 0.00 C ATOM 424 OE1 GLN A 27 -12.954 4.431 -9.393 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.824 6.636 -8.958 1.00 0.00 N ATOM 0 H GLN A 27 -8.489 4.433 -7.043 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.807 2.699 -9.228 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.092 3.238 -9.095 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.507 3.395 -7.450 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.894 5.651 -7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.243 5.902 -9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.256 7.401 -8.593 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.763 6.821 -9.311 1.00 0.00 H new ATOM 434 N GLN A 28 -8.384 5.843 -9.947 1.00 0.00 N ATOM 435 CA GLN A 28 -8.149 6.784 -11.030 1.00 0.00 C ATOM 436 C GLN A 28 -6.863 6.424 -11.776 1.00 0.00 C ATOM 437 O GLN A 28 -6.588 6.968 -12.845 1.00 0.00 O ATOM 438 CB GLN A 28 -8.096 8.221 -10.507 1.00 0.00 C ATOM 439 CG GLN A 28 -8.837 9.174 -11.446 1.00 0.00 C ATOM 440 CD GLN A 28 -8.934 10.576 -10.841 1.00 0.00 C ATOM 441 OE1 GLN A 28 -8.372 10.870 -9.799 1.00 0.00 O ATOM 442 NE2 GLN A 28 -9.676 11.422 -11.550 1.00 0.00 N ATOM 0 H GLN A 28 -8.207 6.214 -9.014 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.982 6.718 -11.729 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.540 8.266 -9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.058 8.537 -10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.319 9.223 -12.404 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.838 8.790 -11.644 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.119 11.111 -12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.802 12.382 -11.229 1.00 0.00 H new ATOM 451 N LEU A 29 -6.109 5.510 -11.184 1.00 0.00 N ATOM 452 CA LEU A 29 -4.858 5.072 -11.780 1.00 0.00 C ATOM 453 C LEU A 29 -5.140 3.948 -12.779 1.00 0.00 C ATOM 454 O LEU A 29 -4.649 3.978 -13.907 1.00 0.00 O ATOM 455 CB LEU A 29 -3.852 4.688 -10.693 1.00 0.00 C ATOM 456 CG LEU A 29 -3.744 3.196 -10.375 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.920 2.467 -11.439 1.00 0.00 C ATOM 458 CD2 LEU A 29 -3.186 2.974 -8.967 1.00 0.00 C ATOM 0 H LEU A 29 -6.340 5.061 -10.298 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.396 5.887 -12.337 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.868 5.047 -10.994 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.118 5.216 -9.777 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.747 2.769 -10.395 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.859 1.408 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.398 2.583 -12.412 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.916 2.890 -11.475 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.120 1.905 -8.766 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.194 3.419 -8.894 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.847 3.440 -8.236 1.00 0.00 H new ATOM 470 N GLY A 30 -5.930 2.984 -12.330 1.00 0.00 N ATOM 471 CA GLY A 30 -6.283 1.853 -13.171 1.00 0.00 C ATOM 472 C GLY A 30 -5.793 0.539 -12.558 1.00 0.00 C ATOM 473 O GLY A 30 -4.987 -0.168 -13.159 1.00 0.00 O ATOM 0 H GLY A 30 -6.336 2.963 -11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.364 1.816 -13.302 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.846 1.981 -14.161 1.00 0.00 H new ATOM 477 N PHE A 31 -6.302 0.253 -11.369 1.00 0.00 N ATOM 478 CA PHE A 31 -5.928 -0.963 -10.667 1.00 0.00 C ATOM 479 C PHE A 31 -6.628 -2.183 -11.270 1.00 0.00 C ATOM 480 O PHE A 31 -7.492 -2.042 -12.136 1.00 0.00 O ATOM 481 CB PHE A 31 -6.376 -0.798 -9.215 1.00 0.00 C ATOM 482 CG PHE A 31 -7.891 -0.665 -9.042 1.00 0.00 C ATOM 483 CD1 PHE A 31 -8.706 -1.704 -9.370 1.00 0.00 C ATOM 484 CD2 PHE A 31 -8.422 0.491 -8.561 1.00 0.00 C ATOM 485 CE1 PHE A 31 -10.111 -1.580 -9.209 1.00 0.00 C ATOM 486 CE2 PHE A 31 -9.827 0.614 -8.401 1.00 0.00 C ATOM 487 CZ PHE A 31 -10.643 -0.425 -8.729 1.00 0.00 C ATOM 0 H PHE A 31 -6.971 0.843 -10.874 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.852 -1.121 -10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.029 -1.656 -8.639 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.894 0.085 -8.795 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.285 -2.622 -9.752 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.775 1.315 -8.301 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.758 -2.405 -9.468 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.249 1.532 -8.019 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.712 -0.332 -8.608 1.00 0.00 H new ATOM 497 N LYS A 32 -6.233 -3.351 -10.789 1.00 0.00 N ATOM 498 CA LYS A 32 -6.812 -4.594 -11.269 1.00 0.00 C ATOM 499 C LYS A 32 -8.085 -4.897 -10.478 1.00 0.00 C ATOM 500 O LYS A 32 -9.177 -4.937 -11.043 1.00 0.00 O ATOM 501 CB LYS A 32 -5.777 -5.720 -11.224 1.00 0.00 C ATOM 502 CG LYS A 32 -5.749 -6.493 -12.545 1.00 0.00 C ATOM 503 CD LYS A 32 -7.071 -7.227 -12.779 1.00 0.00 C ATOM 504 CE LYS A 32 -7.862 -6.585 -13.920 1.00 0.00 C ATOM 505 NZ LYS A 32 -9.307 -6.566 -13.603 1.00 0.00 N ATOM 0 H LYS A 32 -5.518 -3.464 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.101 -4.500 -12.316 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.790 -5.304 -11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.010 -6.401 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.560 -5.805 -13.369 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.928 -7.210 -12.534 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.873 -8.273 -13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.666 -7.211 -11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.507 -5.568 -14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.694 -7.139 -14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.831 -6.142 -14.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.641 -7.539 -13.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.466 -6.004 -12.743 1.00 0.00 H new ATOM 519 N GLN A 33 -7.903 -5.103 -9.182 1.00 0.00 N ATOM 520 CA GLN A 33 -9.024 -5.402 -8.307 1.00 0.00 C ATOM 521 C GLN A 33 -8.825 -4.737 -6.944 1.00 0.00 C ATOM 522 O GLN A 33 -8.128 -5.272 -6.083 1.00 0.00 O ATOM 523 CB GLN A 33 -9.216 -6.913 -8.157 1.00 0.00 C ATOM 524 CG GLN A 33 -10.636 -7.326 -8.551 1.00 0.00 C ATOM 525 CD GLN A 33 -10.948 -8.743 -8.064 1.00 0.00 C ATOM 526 OE1 GLN A 33 -10.073 -9.506 -7.688 1.00 0.00 O ATOM 527 NE2 GLN A 33 -12.242 -9.052 -8.090 1.00 0.00 N ATOM 0 H GLN A 33 -6.996 -5.069 -8.717 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.930 -4.997 -8.759 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.494 -7.439 -8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.020 -7.208 -7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.354 -6.625 -8.126 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.746 -7.277 -9.634 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.923 -8.367 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.552 -9.974 -7.784 1.00 0.00 H new ATOM 536 N ILE A 34 -9.451 -3.579 -6.789 1.00 0.00 N ATOM 537 CA ILE A 34 -9.351 -2.835 -5.544 1.00 0.00 C ATOM 538 C ILE A 34 -10.175 -3.541 -4.466 1.00 0.00 C ATOM 539 O ILE A 34 -11.265 -4.042 -4.741 1.00 0.00 O ATOM 540 CB ILE A 34 -9.746 -1.373 -5.761 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.515 -0.465 -5.745 1.00 0.00 C ATOM 542 CG2 ILE A 34 -10.797 -0.932 -4.741 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.923 1.011 -5.741 1.00 0.00 C ATOM 0 H ILE A 34 -10.029 -3.138 -7.504 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.319 -2.814 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.199 -1.284 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.910 -0.681 -4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.894 -0.672 -6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.060 0.111 -4.917 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.687 -1.553 -4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.394 -1.039 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.030 1.635 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.507 1.229 -6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.523 1.220 -4.856 1.00 0.00 H new ATOM 555 N THR A 35 -9.623 -3.559 -3.262 1.00 0.00 N ATOM 556 CA THR A 35 -10.293 -4.195 -2.141 1.00 0.00 C ATOM 557 C THR A 35 -10.083 -3.382 -0.862 1.00 0.00 C ATOM 558 O THR A 35 -8.955 -3.237 -0.392 1.00 0.00 O ATOM 559 CB THR A 35 -9.780 -5.633 -2.037 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.947 -6.398 -1.746 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.882 -5.848 -0.818 1.00 0.00 C ATOM 0 H THR A 35 -8.719 -3.143 -3.038 1.00 0.00 H new ATOM 0 HA THR A 35 -11.372 -4.229 -2.294 1.00 0.00 H new ATOM 0 HB THR A 35 -9.230 -5.888 -2.943 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.706 -7.344 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.546 -6.885 -0.792 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.017 -5.187 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.442 -5.625 0.090 1.00 0.00 H new ATOM 569 N ALA A 36 -11.186 -2.872 -0.335 1.00 0.00 N ATOM 570 CA ALA A 36 -11.138 -2.077 0.880 1.00 0.00 C ATOM 571 C ALA A 36 -11.486 -2.962 2.078 1.00 0.00 C ATOM 572 O ALA A 36 -12.293 -3.883 1.960 1.00 0.00 O ATOM 573 CB ALA A 36 -12.080 -0.880 0.746 1.00 0.00 C ATOM 0 H ALA A 36 -12.119 -2.994 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.134 -1.684 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.043 -0.284 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.771 -0.267 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.098 -1.234 0.585 1.00 0.00 H new ATOM 579 N ALA A 37 -10.862 -2.652 3.205 1.00 0.00 N ATOM 580 CA ALA A 37 -11.096 -3.408 4.424 1.00 0.00 C ATOM 581 C ALA A 37 -11.352 -2.438 5.578 1.00 0.00 C ATOM 582 O ALA A 37 -11.393 -1.225 5.378 1.00 0.00 O ATOM 583 CB ALA A 37 -9.904 -4.330 4.690 1.00 0.00 C ATOM 0 H ALA A 37 -10.194 -1.887 3.300 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.979 -4.039 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.079 -4.897 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.783 -5.018 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.999 -3.732 4.802 1.00 0.00 H new ATOM 589 N GLY A 38 -11.520 -3.009 6.762 1.00 0.00 N ATOM 590 CA GLY A 38 -11.771 -2.210 7.950 1.00 0.00 C ATOM 591 C GLY A 38 -10.592 -1.281 8.246 1.00 0.00 C ATOM 592 O GLY A 38 -10.760 -0.065 8.321 1.00 0.00 O ATOM 0 H GLY A 38 -11.487 -4.015 6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.677 -1.620 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.945 -2.866 8.803 1.00 0.00 H new ATOM 596 N ASP A 39 -9.427 -1.889 8.406 1.00 0.00 N ATOM 597 CA ASP A 39 -8.220 -1.132 8.691 1.00 0.00 C ATOM 598 C ASP A 39 -7.042 -2.095 8.843 1.00 0.00 C ATOM 599 O ASP A 39 -7.234 -3.307 8.938 1.00 0.00 O ATOM 600 CB ASP A 39 -8.360 -0.346 9.997 1.00 0.00 C ATOM 601 CG ASP A 39 -9.390 -0.904 10.980 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.030 -1.865 11.694 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.514 -0.357 10.996 1.00 0.00 O ATOM 0 H ASP A 39 -9.293 -2.898 8.344 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.055 -0.438 7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.389 -0.315 10.491 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.629 0.683 9.757 1.00 0.00 H new ATOM 608 N GLY A 40 -5.848 -1.522 8.861 1.00 0.00 N ATOM 609 CA GLY A 40 -4.639 -2.315 9.000 1.00 0.00 C ATOM 610 C GLY A 40 -4.910 -3.788 8.690 1.00 0.00 C ATOM 611 O GLY A 40 -5.198 -4.143 7.548 1.00 0.00 O ATOM 0 H GLY A 40 -5.692 -0.517 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.871 -1.934 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.251 -2.219 10.014 1.00 0.00 H new ATOM 615 N GLU A 41 -4.809 -4.607 9.727 1.00 0.00 N ATOM 616 CA GLU A 41 -5.041 -6.033 9.580 1.00 0.00 C ATOM 617 C GLU A 41 -6.370 -6.285 8.863 1.00 0.00 C ATOM 618 O GLU A 41 -6.416 -7.012 7.873 1.00 0.00 O ATOM 619 CB GLU A 41 -5.010 -6.737 10.938 1.00 0.00 C ATOM 620 CG GLU A 41 -6.334 -6.556 11.680 1.00 0.00 C ATOM 621 CD GLU A 41 -6.326 -7.312 13.011 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.296 -7.965 13.285 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.350 -7.221 13.723 1.00 0.00 O ATOM 0 H GLU A 41 -4.569 -4.309 10.673 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.238 -6.450 8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.811 -7.799 10.796 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.194 -6.337 11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.511 -5.496 11.861 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.155 -6.915 11.059 1.00 0.00 H new ATOM 630 N GLN A 42 -7.416 -5.668 9.392 1.00 0.00 N ATOM 631 CA GLN A 42 -8.741 -5.815 8.815 1.00 0.00 C ATOM 632 C GLN A 42 -8.655 -5.851 7.288 1.00 0.00 C ATOM 633 O GLN A 42 -9.496 -6.459 6.629 1.00 0.00 O ATOM 634 CB GLN A 42 -9.672 -4.696 9.286 1.00 0.00 C ATOM 635 CG GLN A 42 -10.710 -5.226 10.277 1.00 0.00 C ATOM 636 CD GLN A 42 -11.979 -5.678 9.552 1.00 0.00 C ATOM 637 OE1 GLN A 42 -12.489 -5.013 8.666 1.00 0.00 O ATOM 638 NE2 GLN A 42 -12.458 -6.843 9.977 1.00 0.00 N ATOM 0 H GLN A 42 -7.373 -5.065 10.214 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.162 -6.760 9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.087 -3.905 9.755 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.177 -4.253 8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.290 -6.061 10.837 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.957 -4.449 11.000 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.981 -7.349 10.724 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.302 -7.231 9.556 1.00 0.00 H new ATOM 647 N GLY A 43 -7.630 -5.191 6.770 1.00 0.00 N ATOM 648 CA GLY A 43 -7.422 -5.139 5.332 1.00 0.00 C ATOM 649 C GLY A 43 -6.212 -5.982 4.923 1.00 0.00 C ATOM 650 O GLY A 43 -6.279 -6.743 3.959 1.00 0.00 O ATOM 0 H GLY A 43 -6.934 -4.687 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.313 -5.501 4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.272 -4.106 5.020 1.00 0.00 H new ATOM 654 N MET A 44 -5.134 -5.816 5.676 1.00 0.00 N ATOM 655 CA MET A 44 -3.911 -6.552 5.403 1.00 0.00 C ATOM 656 C MET A 44 -4.173 -8.059 5.371 1.00 0.00 C ATOM 657 O MET A 44 -3.769 -8.743 4.432 1.00 0.00 O ATOM 658 CB MET A 44 -2.874 -6.237 6.483 1.00 0.00 C ATOM 659 CG MET A 44 -2.056 -7.480 6.838 1.00 0.00 C ATOM 660 SD MET A 44 -1.227 -8.100 5.384 1.00 0.00 S ATOM 661 CE MET A 44 -0.277 -9.425 6.112 1.00 0.00 C ATOM 0 H MET A 44 -5.082 -5.183 6.474 1.00 0.00 H new ATOM 0 HA MET A 44 -3.536 -6.247 4.426 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.209 -5.447 6.134 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.375 -5.861 7.375 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.324 -7.236 7.608 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.709 -8.249 7.251 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.751 -9.376 5.753 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.287 -9.326 7.197 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.714 -10.383 5.831 1.00 0.00 H new ATOM 671 N LYS A 45 -4.849 -8.532 6.408 1.00 0.00 N ATOM 672 CA LYS A 45 -5.169 -9.945 6.510 1.00 0.00 C ATOM 673 C LYS A 45 -5.958 -10.375 5.272 1.00 0.00 C ATOM 674 O LYS A 45 -5.791 -11.491 4.782 1.00 0.00 O ATOM 675 CB LYS A 45 -5.887 -10.238 7.830 1.00 0.00 C ATOM 676 CG LYS A 45 -5.093 -9.693 9.018 1.00 0.00 C ATOM 677 CD LYS A 45 -4.522 -10.833 9.866 1.00 0.00 C ATOM 678 CE LYS A 45 -5.635 -11.570 10.613 1.00 0.00 C ATOM 679 NZ LYS A 45 -5.062 -12.486 11.623 1.00 0.00 N ATOM 0 H LYS A 45 -5.184 -7.962 7.185 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.257 -10.542 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.880 -9.789 7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.025 -11.313 7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.281 -9.061 8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.737 -9.065 9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.983 -11.532 9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.802 -10.434 10.580 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.294 -10.850 11.098 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.244 -12.134 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.831 -12.978 12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.452 -13.184 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.500 -11.941 12.307 1.00 0.00 H new ATOM 693 N ILE A 46 -6.801 -9.468 4.802 1.00 0.00 N ATOM 694 CA ILE A 46 -7.617 -9.740 3.631 1.00 0.00 C ATOM 695 C ILE A 46 -6.706 -10.044 2.440 1.00 0.00 C ATOM 696 O ILE A 46 -6.948 -10.993 1.694 1.00 0.00 O ATOM 697 CB ILE A 46 -8.594 -8.590 3.380 1.00 0.00 C ATOM 698 CG1 ILE A 46 -9.934 -8.848 4.073 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.765 -8.333 1.881 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.726 -9.470 5.454 1.00 0.00 C ATOM 0 H ILE A 46 -6.937 -8.543 5.211 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.235 -10.623 3.794 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.174 -7.684 3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.483 -7.911 4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.543 -9.512 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.465 -7.511 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.801 -8.074 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.152 -9.231 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.694 -9.643 5.925 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.198 -10.418 5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.137 -8.793 6.073 1.00 0.00 H new ATOM 712 N MET A 47 -5.676 -9.222 2.298 1.00 0.00 N ATOM 713 CA MET A 47 -4.728 -9.392 1.211 1.00 0.00 C ATOM 714 C MET A 47 -3.942 -10.696 1.366 1.00 0.00 C ATOM 715 O MET A 47 -3.577 -11.326 0.375 1.00 0.00 O ATOM 716 CB MET A 47 -3.756 -8.210 1.193 1.00 0.00 C ATOM 717 CG MET A 47 -4.371 -7.005 0.478 1.00 0.00 C ATOM 718 SD MET A 47 -3.501 -6.691 -1.048 1.00 0.00 S ATOM 719 CE MET A 47 -4.841 -6.874 -2.213 1.00 0.00 C ATOM 0 H MET A 47 -5.478 -8.437 2.918 1.00 0.00 H new ATOM 0 HA MET A 47 -5.283 -9.434 0.274 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.493 -7.936 2.214 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.832 -8.502 0.693 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.425 -7.192 0.273 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.322 -6.126 1.121 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.566 -6.409 -3.160 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.042 -7.933 -2.373 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.735 -6.391 -1.818 1.00 0.00 H new ATOM 729 N ALA A 48 -3.706 -11.062 2.617 1.00 0.00 N ATOM 730 CA ALA A 48 -2.971 -12.279 2.915 1.00 0.00 C ATOM 731 C ALA A 48 -3.760 -13.484 2.400 1.00 0.00 C ATOM 732 O ALA A 48 -3.205 -14.353 1.728 1.00 0.00 O ATOM 733 CB ALA A 48 -2.701 -12.358 4.419 1.00 0.00 C ATOM 0 H ALA A 48 -4.011 -10.537 3.436 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.005 -12.277 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.150 -13.271 4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.113 -11.494 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.648 -12.365 4.959 1.00 0.00 H new ATOM 739 N GLN A 49 -5.042 -13.499 2.735 1.00 0.00 N ATOM 740 CA GLN A 49 -5.913 -14.584 2.314 1.00 0.00 C ATOM 741 C GLN A 49 -6.030 -14.609 0.789 1.00 0.00 C ATOM 742 O GLN A 49 -5.615 -15.572 0.147 1.00 0.00 O ATOM 743 CB GLN A 49 -7.290 -14.466 2.969 1.00 0.00 C ATOM 744 CG GLN A 49 -7.164 -14.250 4.478 1.00 0.00 C ATOM 745 CD GLN A 49 -7.471 -15.539 5.243 1.00 0.00 C ATOM 746 OE1 GLN A 49 -6.806 -16.552 5.096 1.00 0.00 O ATOM 747 NE2 GLN A 49 -8.510 -15.444 6.068 1.00 0.00 N ATOM 0 H GLN A 49 -5.499 -12.777 3.293 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.472 -15.526 2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.838 -13.636 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.868 -15.370 2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.156 -13.912 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.848 -13.463 4.795 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.023 -14.566 6.143 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.794 -16.249 6.626 1.00 0.00 H new ATOM 756 N ASN A 50 -6.599 -13.539 0.253 1.00 0.00 N ATOM 757 CA ASN A 50 -6.777 -13.427 -1.185 1.00 0.00 C ATOM 758 C ASN A 50 -5.457 -12.992 -1.825 1.00 0.00 C ATOM 759 O ASN A 50 -4.439 -12.881 -1.143 1.00 0.00 O ATOM 760 CB ASN A 50 -7.837 -12.378 -1.528 1.00 0.00 C ATOM 761 CG ASN A 50 -8.729 -12.084 -0.321 1.00 0.00 C ATOM 762 OD1 ASN A 50 -8.966 -12.928 0.529 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.210 -10.845 -0.292 1.00 0.00 N ATOM 0 H ASN A 50 -6.943 -12.742 0.789 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.095 -14.399 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.351 -11.460 -1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.448 -12.732 -2.359 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.817 -10.551 0.474 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.972 -10.188 -1.035 1.00 0.00 H new ATOM 770 N PRO A 51 -5.518 -12.751 -3.162 1.00 0.00 N ATOM 771 CA PRO A 51 -4.341 -12.330 -3.902 1.00 0.00 C ATOM 772 C PRO A 51 -4.009 -10.864 -3.618 1.00 0.00 C ATOM 773 O PRO A 51 -4.908 -10.040 -3.460 1.00 0.00 O ATOM 774 CB PRO A 51 -4.680 -12.591 -5.361 1.00 0.00 C ATOM 775 CG PRO A 51 -6.194 -12.709 -5.423 1.00 0.00 C ATOM 776 CD PRO A 51 -6.707 -12.871 -4.002 1.00 0.00 C ATOM 0 HA PRO A 51 -3.444 -12.876 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.325 -11.779 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.202 -13.504 -5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.627 -11.823 -5.887 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.486 -13.563 -6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.443 -12.106 -3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.193 -13.837 -3.864 1.00 0.00 H new ATOM 784 N HIS A 52 -2.716 -10.584 -3.561 1.00 0.00 N ATOM 785 CA HIS A 52 -2.254 -9.232 -3.299 1.00 0.00 C ATOM 786 C HIS A 52 -1.098 -8.891 -4.242 1.00 0.00 C ATOM 787 O HIS A 52 -0.294 -9.758 -4.582 1.00 0.00 O ATOM 788 CB HIS A 52 -1.885 -9.059 -1.824 1.00 0.00 C ATOM 789 CG HIS A 52 -1.004 -10.159 -1.278 1.00 0.00 C ATOM 790 ND1 HIS A 52 -0.814 -10.364 0.077 1.00 0.00 N ATOM 791 CD2 HIS A 52 -0.266 -11.110 -1.920 1.00 0.00 C ATOM 792 CE1 HIS A 52 0.004 -11.395 0.232 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.344 -11.854 -1.006 1.00 0.00 N ATOM 0 H HIS A 52 -1.973 -11.271 -3.692 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.060 -8.525 -3.498 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.376 -8.103 -1.697 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.800 -9.014 -1.234 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -1.232 -9.815 0.828 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.191 -11.236 -2.990 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.342 -11.801 1.174 1.00 0.00 H new ATOM 802 N HIS A 53 -1.053 -7.628 -4.640 1.00 0.00 N ATOM 803 CA HIS A 53 -0.010 -7.163 -5.537 1.00 0.00 C ATOM 804 C HIS A 53 0.439 -5.761 -5.120 1.00 0.00 C ATOM 805 O HIS A 53 1.630 -5.454 -5.145 1.00 0.00 O ATOM 806 CB HIS A 53 -0.477 -7.227 -6.992 1.00 0.00 C ATOM 807 CG HIS A 53 0.648 -7.240 -7.999 1.00 0.00 C ATOM 808 ND1 HIS A 53 0.802 -6.261 -8.965 1.00 0.00 N ATOM 809 CD2 HIS A 53 1.673 -8.123 -8.180 1.00 0.00 C ATOM 810 CE1 HIS A 53 1.874 -6.550 -9.688 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.411 -7.706 -9.201 1.00 0.00 N ATOM 0 H HIS A 53 -1.723 -6.912 -4.357 1.00 0.00 H new ATOM 0 HA HIS A 53 0.856 -7.821 -5.465 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.084 -8.122 -7.129 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.121 -6.371 -7.194 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.853 -9.011 -7.592 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.256 -5.972 -10.517 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.243 -8.173 -9.562 1.00 0.00 H new ATOM 820 N LEU A 54 -0.538 -4.948 -4.745 1.00 0.00 N ATOM 821 CA LEU A 54 -0.259 -3.587 -4.323 1.00 0.00 C ATOM 822 C LEU A 54 -1.166 -3.226 -3.144 1.00 0.00 C ATOM 823 O LEU A 54 -2.379 -3.098 -3.308 1.00 0.00 O ATOM 824 CB LEU A 54 -0.375 -2.624 -5.506 1.00 0.00 C ATOM 825 CG LEU A 54 -0.033 -1.162 -5.216 1.00 0.00 C ATOM 826 CD1 LEU A 54 1.355 -0.807 -5.754 1.00 0.00 C ATOM 827 CD2 LEU A 54 -1.114 -0.227 -5.762 1.00 0.00 C ATOM 0 H LEU A 54 -1.524 -5.207 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 54 0.769 -3.501 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.279 -2.978 -6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.395 -2.669 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.005 -1.026 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.574 0.238 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.103 -1.442 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.378 -0.964 -6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.846 0.806 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.198 -0.359 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.069 -0.462 -5.292 1.00 0.00 H new ATOM 839 N VAL A 55 -0.544 -3.074 -1.985 1.00 0.00 N ATOM 840 CA VAL A 55 -1.281 -2.730 -0.780 1.00 0.00 C ATOM 841 C VAL A 55 -1.219 -1.218 -0.564 1.00 0.00 C ATOM 842 O VAL A 55 -0.164 -0.607 -0.723 1.00 0.00 O ATOM 843 CB VAL A 55 -0.740 -3.528 0.409 1.00 0.00 C ATOM 844 CG1 VAL A 55 -1.023 -2.805 1.727 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.314 -4.945 0.425 1.00 0.00 C ATOM 0 H VAL A 55 0.462 -3.182 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.332 -3.000 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 55 0.341 -3.607 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.629 -3.392 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.543 -1.826 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.099 -2.680 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.913 -5.490 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.400 -4.897 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.038 -5.460 -0.495 1.00 0.00 H new ATOM 855 N ILE A 56 -2.364 -0.656 -0.203 1.00 0.00 N ATOM 856 CA ILE A 56 -2.454 0.774 0.037 1.00 0.00 C ATOM 857 C ILE A 56 -3.311 1.025 1.278 1.00 0.00 C ATOM 858 O ILE A 56 -4.481 0.647 1.316 1.00 0.00 O ATOM 859 CB ILE A 56 -2.955 1.497 -1.214 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.063 0.696 -1.903 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.800 1.812 -2.166 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.497 -0.555 -2.577 1.00 0.00 C ATOM 0 H ILE A 56 -3.237 -1.166 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.467 1.189 0.242 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.388 2.449 -0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.818 0.409 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.560 1.320 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.184 2.326 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.076 2.451 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.316 0.884 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.305 -1.106 -3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.760 -0.263 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.022 -1.189 -1.828 1.00 0.00 H new ATOM 874 N SER A 57 -2.698 1.664 2.264 1.00 0.00 N ATOM 875 CA SER A 57 -3.391 1.970 3.504 1.00 0.00 C ATOM 876 C SER A 57 -2.964 3.348 4.014 1.00 0.00 C ATOM 877 O SER A 57 -2.211 4.055 3.347 1.00 0.00 O ATOM 878 CB SER A 57 -3.118 0.903 4.566 1.00 0.00 C ATOM 879 OG SER A 57 -3.262 1.417 5.887 1.00 0.00 O ATOM 0 H SER A 57 -1.728 1.978 2.229 1.00 0.00 H new ATOM 0 HA SER A 57 -4.463 1.978 3.304 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.804 0.067 4.425 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.109 0.512 4.437 1.00 0.00 H new ATOM 0 HG SER A 57 -3.081 0.706 6.536 1.00 0.00 H new ATOM 885 N ASP A 58 -3.467 3.688 5.192 1.00 0.00 N ATOM 886 CA ASP A 58 -3.147 4.969 5.800 1.00 0.00 C ATOM 887 C ASP A 58 -1.845 4.843 6.592 1.00 0.00 C ATOM 888 O ASP A 58 -1.407 3.735 6.901 1.00 0.00 O ATOM 889 CB ASP A 58 -4.248 5.410 6.767 1.00 0.00 C ATOM 890 CG ASP A 58 -4.684 4.347 7.778 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.294 3.177 7.575 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.396 4.729 8.732 1.00 0.00 O ATOM 0 H ASP A 58 -4.093 3.099 5.741 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.051 5.706 5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.902 6.288 7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.118 5.717 6.187 1.00 0.00 H new ATOM 897 N PHE A 59 -1.262 5.992 6.899 1.00 0.00 N ATOM 898 CA PHE A 59 -0.019 6.024 7.650 1.00 0.00 C ATOM 899 C PHE A 59 -0.277 5.838 9.146 1.00 0.00 C ATOM 900 O PHE A 59 0.649 5.571 9.911 1.00 0.00 O ATOM 901 CB PHE A 59 0.609 7.401 7.419 1.00 0.00 C ATOM 902 CG PHE A 59 1.934 7.361 6.657 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.812 6.345 6.873 1.00 0.00 C ATOM 904 CD2 PHE A 59 2.235 8.341 5.764 1.00 0.00 C ATOM 905 CE1 PHE A 59 4.043 6.308 6.166 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.465 8.304 5.056 1.00 0.00 C ATOM 907 CZ PHE A 59 4.344 7.288 5.272 1.00 0.00 C ATOM 0 H PHE A 59 -1.628 6.909 6.641 1.00 0.00 H new ATOM 0 HA PHE A 59 0.636 5.218 7.319 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.097 8.023 6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.771 7.881 8.384 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.573 5.566 7.582 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.538 9.148 5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.740 5.502 6.338 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.703 9.082 4.346 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.280 7.260 4.734 1.00 0.00 H new ATOM 917 N ASN A 60 -1.540 5.988 9.520 1.00 0.00 N ATOM 918 CA ASN A 60 -1.931 5.839 10.912 1.00 0.00 C ATOM 919 C ASN A 60 -1.282 4.580 11.488 1.00 0.00 C ATOM 920 O ASN A 60 -0.609 3.840 10.772 1.00 0.00 O ATOM 921 CB ASN A 60 -3.448 5.694 11.044 1.00 0.00 C ATOM 922 CG ASN A 60 -4.150 7.032 10.810 1.00 0.00 C ATOM 923 OD1 ASN A 60 -3.768 8.064 11.338 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.196 6.959 9.992 1.00 0.00 N ATOM 0 H ASN A 60 -2.305 6.211 8.883 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.606 6.729 11.451 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.810 4.959 10.325 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.696 5.318 12.037 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.732 7.799 9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.462 6.063 9.584 1.00 0.00 H new ATOM 931 N MET A 61 -1.507 4.374 12.777 1.00 0.00 N ATOM 932 CA MET A 61 -0.953 3.216 13.459 1.00 0.00 C ATOM 933 C MET A 61 -2.048 2.201 13.793 1.00 0.00 C ATOM 934 O MET A 61 -2.374 1.997 14.961 1.00 0.00 O ATOM 935 CB MET A 61 -0.261 3.665 14.748 1.00 0.00 C ATOM 936 CG MET A 61 -1.287 4.108 15.794 1.00 0.00 C ATOM 937 SD MET A 61 -0.664 5.513 16.702 1.00 0.00 S ATOM 938 CE MET A 61 -1.656 5.390 18.182 1.00 0.00 C ATOM 0 H MET A 61 -2.066 4.990 13.368 1.00 0.00 H new ATOM 0 HA MET A 61 -0.231 2.738 12.797 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.340 2.848 15.146 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.422 4.487 14.532 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.227 4.367 15.307 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.499 3.287 16.479 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.393 6.199 18.864 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.711 5.465 17.920 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.469 4.432 18.666 1.00 0.00 H new ATOM 948 N PRO A 62 -2.598 1.575 12.718 1.00 0.00 N ATOM 949 CA PRO A 62 -3.650 0.587 12.885 1.00 0.00 C ATOM 950 C PRO A 62 -3.081 -0.735 13.406 1.00 0.00 C ATOM 951 O PRO A 62 -1.997 -0.762 13.989 1.00 0.00 O ATOM 952 CB PRO A 62 -4.290 0.458 11.512 1.00 0.00 C ATOM 953 CG PRO A 62 -3.282 1.027 10.527 1.00 0.00 C ATOM 954 CD PRO A 62 -2.236 1.792 11.320 1.00 0.00 C ATOM 0 HA PRO A 62 -4.391 0.882 13.629 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.515 -0.583 11.282 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.232 1.005 11.467 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.816 0.226 9.953 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.776 1.685 9.813 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.232 1.424 11.109 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.246 2.853 11.068 1.00 0.00 H new ATOM 962 N LYS A 63 -3.837 -1.799 13.176 1.00 0.00 N ATOM 963 CA LYS A 63 -3.421 -3.121 13.616 1.00 0.00 C ATOM 964 C LYS A 63 -2.103 -3.489 12.934 1.00 0.00 C ATOM 965 O LYS A 63 -1.288 -4.214 13.501 1.00 0.00 O ATOM 966 CB LYS A 63 -4.540 -4.138 13.383 1.00 0.00 C ATOM 967 CG LYS A 63 -5.499 -4.181 14.575 1.00 0.00 C ATOM 968 CD LYS A 63 -5.254 -5.426 15.430 1.00 0.00 C ATOM 969 CE LYS A 63 -3.779 -5.834 15.396 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.371 -6.413 16.695 1.00 0.00 N ATOM 0 H LYS A 63 -4.734 -1.773 12.691 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.236 -3.125 14.690 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.090 -3.878 12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.110 -5.127 13.222 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.369 -3.286 15.184 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.529 -4.177 14.218 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.557 -5.230 16.459 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.871 -6.248 15.067 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.615 -6.560 14.600 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.161 -4.966 15.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.368 -6.684 16.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.509 -5.709 17.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.949 -7.254 16.897 1.00 0.00 H new ATOM 984 N MET A 64 -1.934 -2.972 11.725 1.00 0.00 N ATOM 985 CA MET A 64 -0.728 -3.237 10.960 1.00 0.00 C ATOM 986 C MET A 64 -0.408 -2.075 10.019 1.00 0.00 C ATOM 987 O MET A 64 -1.210 -1.737 9.149 1.00 0.00 O ATOM 988 CB MET A 64 -0.912 -4.519 10.144 1.00 0.00 C ATOM 989 CG MET A 64 -1.635 -5.590 10.963 1.00 0.00 C ATOM 990 SD MET A 64 -1.559 -7.160 10.116 1.00 0.00 S ATOM 991 CE MET A 64 -0.074 -7.833 10.845 1.00 0.00 C ATOM 0 H MET A 64 -2.613 -2.371 11.257 1.00 0.00 H new ATOM 0 HA MET A 64 0.102 -3.354 11.656 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.481 -4.301 9.240 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.060 -4.894 9.825 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.178 -5.677 11.949 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.674 -5.301 11.118 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.123 -8.819 10.425 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.767 -7.173 10.632 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.204 -7.918 11.924 1.00 0.00 H new ATOM 1001 N ASP A 65 0.765 -1.493 10.225 1.00 0.00 N ATOM 1002 CA ASP A 65 1.199 -0.375 9.404 1.00 0.00 C ATOM 1003 C ASP A 65 2.504 -0.746 8.695 1.00 0.00 C ATOM 1004 O ASP A 65 3.090 -1.791 8.973 1.00 0.00 O ATOM 1005 CB ASP A 65 1.463 0.866 10.261 1.00 0.00 C ATOM 1006 CG ASP A 65 1.528 2.183 9.487 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.722 2.327 8.542 1.00 0.00 O ATOM 1008 OD2 ASP A 65 2.382 3.018 9.857 1.00 0.00 O ATOM 0 H ASP A 65 1.427 -1.774 10.948 1.00 0.00 H new ATOM 0 HA ASP A 65 0.409 -0.156 8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.679 0.943 11.014 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.404 0.728 10.794 1.00 0.00 H new ATOM 1013 N GLY A 66 2.919 0.133 7.795 1.00 0.00 N ATOM 1014 CA GLY A 66 4.144 -0.088 7.043 1.00 0.00 C ATOM 1015 C GLY A 66 5.129 -0.946 7.841 1.00 0.00 C ATOM 1016 O GLY A 66 5.832 -1.780 7.273 1.00 0.00 O ATOM 0 H GLY A 66 2.430 0.999 7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.911 -0.579 6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.604 0.870 6.800 1.00 0.00 H new ATOM 1020 N LEU A 67 5.147 -0.711 9.144 1.00 0.00 N ATOM 1021 CA LEU A 67 6.034 -1.452 10.025 1.00 0.00 C ATOM 1022 C LEU A 67 5.519 -2.885 10.173 1.00 0.00 C ATOM 1023 O LEU A 67 6.189 -3.834 9.767 1.00 0.00 O ATOM 1024 CB LEU A 67 6.201 -0.718 11.357 1.00 0.00 C ATOM 1025 CG LEU A 67 6.761 0.704 11.274 1.00 0.00 C ATOM 1026 CD1 LEU A 67 8.165 0.706 10.664 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.805 1.626 10.514 1.00 0.00 C ATOM 0 H LEU A 67 4.562 -0.018 9.611 1.00 0.00 H new ATOM 0 HA LEU A 67 7.033 -1.515 9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.230 -0.677 11.850 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.858 -1.309 11.995 1.00 0.00 H new ATOM 0 HG LEU A 67 6.850 1.096 12.287 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.540 1.729 10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.831 0.104 11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.125 0.287 9.659 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.227 2.630 10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.662 1.247 9.502 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.845 1.658 11.029 1.00 0.00 H new ATOM 1039 N GLY A 68 4.335 -2.997 10.756 1.00 0.00 N ATOM 1040 CA GLY A 68 3.723 -4.299 10.963 1.00 0.00 C ATOM 1041 C GLY A 68 3.463 -5.000 9.628 1.00 0.00 C ATOM 1042 O GLY A 68 3.693 -6.202 9.500 1.00 0.00 O ATOM 0 H GLY A 68 3.783 -2.208 11.092 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.374 -4.917 11.582 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.785 -4.182 11.505 1.00 0.00 H new ATOM 1046 N LEU A 69 2.986 -4.221 8.669 1.00 0.00 N ATOM 1047 CA LEU A 69 2.693 -4.753 7.349 1.00 0.00 C ATOM 1048 C LEU A 69 3.939 -5.446 6.795 1.00 0.00 C ATOM 1049 O LEU A 69 3.862 -6.576 6.315 1.00 0.00 O ATOM 1050 CB LEU A 69 2.144 -3.652 6.438 1.00 0.00 C ATOM 1051 CG LEU A 69 0.720 -3.857 5.922 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.287 -3.851 7.074 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.369 -2.821 4.851 1.00 0.00 C ATOM 0 H LEU A 69 2.795 -3.225 8.780 1.00 0.00 H new ATOM 0 HA LEU A 69 1.908 -5.507 7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.180 -2.707 6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.809 -3.552 5.580 1.00 0.00 H new ATOM 0 HG LEU A 69 0.667 -4.839 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.292 -3.999 6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.049 -4.655 7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.239 -2.895 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.649 -2.990 4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.446 -1.820 5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.060 -2.915 4.014 1.00 0.00 H new ATOM 1065 N LEU A 70 5.057 -4.741 6.880 1.00 0.00 N ATOM 1066 CA LEU A 70 6.317 -5.276 6.393 1.00 0.00 C ATOM 1067 C LEU A 70 6.614 -6.598 7.102 1.00 0.00 C ATOM 1068 O LEU A 70 6.572 -7.661 6.484 1.00 0.00 O ATOM 1069 CB LEU A 70 7.432 -4.237 6.538 1.00 0.00 C ATOM 1070 CG LEU A 70 8.792 -4.627 5.957 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.864 -3.604 6.338 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.180 -6.047 6.375 1.00 0.00 C ATOM 0 H LEU A 70 5.117 -3.804 7.279 1.00 0.00 H new ATOM 0 HA LEU A 70 6.251 -5.494 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.106 -3.314 6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.561 -4.018 7.598 1.00 0.00 H new ATOM 0 HG LEU A 70 8.714 -4.622 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.821 -3.905 5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.586 -2.624 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.949 -3.553 7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.151 -6.299 5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.235 -6.104 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.431 -6.751 6.012 1.00 0.00 H new ATOM 1084 N GLN A 71 6.906 -6.490 8.389 1.00 0.00 N ATOM 1085 CA GLN A 71 7.209 -7.664 9.190 1.00 0.00 C ATOM 1086 C GLN A 71 6.237 -8.798 8.857 1.00 0.00 C ATOM 1087 O GLN A 71 6.599 -9.972 8.924 1.00 0.00 O ATOM 1088 CB GLN A 71 7.176 -7.335 10.683 1.00 0.00 C ATOM 1089 CG GLN A 71 8.145 -6.198 11.015 1.00 0.00 C ATOM 1090 CD GLN A 71 8.754 -6.387 12.406 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.237 -7.449 12.762 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.707 -5.298 13.169 1.00 0.00 N ATOM 0 H GLN A 71 6.939 -5.607 8.898 1.00 0.00 H new ATOM 0 HA GLN A 71 8.219 -7.993 8.948 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.164 -7.052 10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.438 -8.222 11.260 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.938 -6.162 10.268 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.621 -5.243 10.970 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.288 -4.441 12.809 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.090 -5.321 14.114 1.00 0.00 H new ATOM 1101 N ALA A 72 5.021 -8.409 8.506 1.00 0.00 N ATOM 1102 CA ALA A 72 3.994 -9.378 8.162 1.00 0.00 C ATOM 1103 C ALA A 72 4.407 -10.124 6.893 1.00 0.00 C ATOM 1104 O ALA A 72 4.385 -11.353 6.857 1.00 0.00 O ATOM 1105 CB ALA A 72 2.649 -8.664 8.007 1.00 0.00 C ATOM 0 H ALA A 72 4.723 -7.435 8.452 1.00 0.00 H new ATOM 0 HA ALA A 72 3.882 -10.116 8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.879 -9.391 7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.387 -8.175 8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.722 -7.917 7.216 1.00 0.00 H new ATOM 1111 N VAL A 73 4.775 -9.350 5.882 1.00 0.00 N ATOM 1112 CA VAL A 73 5.193 -9.924 4.615 1.00 0.00 C ATOM 1113 C VAL A 73 6.375 -10.866 4.850 1.00 0.00 C ATOM 1114 O VAL A 73 6.358 -12.013 4.406 1.00 0.00 O ATOM 1115 CB VAL A 73 5.508 -8.809 3.615 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.644 -7.575 3.881 1.00 0.00 C ATOM 1117 CG2 VAL A 73 6.996 -8.454 3.641 1.00 0.00 C ATOM 0 H VAL A 73 4.792 -8.331 5.915 1.00 0.00 H new ATOM 0 HA VAL A 73 4.388 -10.516 4.181 1.00 0.00 H new ATOM 0 HB VAL A 73 5.269 -9.176 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.887 -6.797 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.591 -7.841 3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.837 -7.206 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.193 -7.659 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.272 -8.116 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.585 -9.334 3.380 1.00 0.00 H new ATOM 1127 N ARG A 74 7.372 -10.349 5.551 1.00 0.00 N ATOM 1128 CA ARG A 74 8.561 -11.129 5.853 1.00 0.00 C ATOM 1129 C ARG A 74 8.179 -12.580 6.152 1.00 0.00 C ATOM 1130 O ARG A 74 8.961 -13.496 5.898 1.00 0.00 O ATOM 1131 CB ARG A 74 9.312 -10.548 7.052 1.00 0.00 C ATOM 1132 CG ARG A 74 9.684 -9.085 6.809 1.00 0.00 C ATOM 1133 CD ARG A 74 10.053 -8.848 5.343 1.00 0.00 C ATOM 1134 NE ARG A 74 11.219 -9.681 4.973 1.00 0.00 N ATOM 1135 CZ ARG A 74 12.464 -9.470 5.418 1.00 0.00 C ATOM 1136 NH1 ARG A 74 12.714 -8.452 6.252 1.00 0.00 N ATOM 1137 NH2 ARG A 74 13.461 -10.277 5.029 1.00 0.00 N ATOM 0 H ARG A 74 7.382 -9.398 5.920 1.00 0.00 H new ATOM 0 HA ARG A 74 9.213 -11.093 4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.693 -10.626 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.214 -11.130 7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.848 -8.443 7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.523 -8.809 7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.205 -9.090 4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.283 -7.795 5.183 1.00 0.00 H new ATOM 0 HE ARG A 74 11.064 -10.465 4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.956 -7.837 6.548 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.663 -8.292 6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.271 -11.052 4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.409 -10.116 5.368 1.00 0.00 H new ATOM 1151 N ALA A 75 6.978 -12.745 6.687 1.00 0.00 N ATOM 1152 CA ALA A 75 6.485 -14.070 7.024 1.00 0.00 C ATOM 1153 C ALA A 75 5.901 -14.725 5.772 1.00 0.00 C ATOM 1154 O ALA A 75 6.282 -15.838 5.413 1.00 0.00 O ATOM 1155 CB ALA A 75 5.461 -13.960 8.156 1.00 0.00 C ATOM 0 H ALA A 75 6.332 -11.984 6.895 1.00 0.00 H new ATOM 0 HA ALA A 75 7.298 -14.704 7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.091 -14.953 8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.933 -13.514 9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.629 -13.334 7.834 1.00 0.00 H new ATOM 1161 N ASN A 76 4.985 -14.007 5.139 1.00 0.00 N ATOM 1162 CA ASN A 76 4.344 -14.505 3.933 1.00 0.00 C ATOM 1163 C ASN A 76 5.084 -13.964 2.707 1.00 0.00 C ATOM 1164 O ASN A 76 5.232 -12.753 2.552 1.00 0.00 O ATOM 1165 CB ASN A 76 2.888 -14.039 3.850 1.00 0.00 C ATOM 1166 CG ASN A 76 1.928 -15.227 3.938 1.00 0.00 C ATOM 1167 OD1 ASN A 76 2.031 -16.080 4.805 1.00 0.00 O ATOM 1168 ND2 ASN A 76 0.990 -15.234 2.996 1.00 0.00 N ATOM 0 H ASN A 76 4.671 -13.084 5.438 1.00 0.00 H new ATOM 0 HA ASN A 76 4.373 -15.594 3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.680 -13.338 4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.726 -13.504 2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.300 -15.984 2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.961 -14.489 2.300 1.00 0.00 H new ATOM 1175 N PRO A 77 5.538 -14.914 1.846 1.00 0.00 N ATOM 1176 CA PRO A 77 6.258 -14.545 0.639 1.00 0.00 C ATOM 1177 C PRO A 77 5.304 -13.991 -0.421 1.00 0.00 C ATOM 1178 O PRO A 77 5.744 -13.427 -1.423 1.00 0.00 O ATOM 1179 CB PRO A 77 6.962 -15.818 0.198 1.00 0.00 C ATOM 1180 CG PRO A 77 6.244 -16.958 0.902 1.00 0.00 C ATOM 1181 CD PRO A 77 5.379 -16.357 1.997 1.00 0.00 C ATOM 0 HA PRO A 77 6.978 -13.744 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.914 -15.936 -0.885 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.017 -15.795 0.469 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.631 -17.518 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.963 -17.659 1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.336 -16.654 1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.702 -16.690 2.984 1.00 0.00 H new ATOM 1189 N ALA A 78 4.017 -14.171 -0.165 1.00 0.00 N ATOM 1190 CA ALA A 78 2.998 -13.695 -1.084 1.00 0.00 C ATOM 1191 C ALA A 78 3.005 -12.165 -1.101 1.00 0.00 C ATOM 1192 O ALA A 78 2.967 -11.553 -2.167 1.00 0.00 O ATOM 1193 CB ALA A 78 1.637 -14.267 -0.680 1.00 0.00 C ATOM 0 H ALA A 78 3.657 -14.640 0.666 1.00 0.00 H new ATOM 0 HA ALA A 78 3.207 -14.037 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.873 -13.909 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.675 -15.356 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.392 -13.944 0.332 1.00 0.00 H new ATOM 1199 N THR A 79 3.055 -11.592 0.093 1.00 0.00 N ATOM 1200 CA THR A 79 3.068 -10.146 0.229 1.00 0.00 C ATOM 1201 C THR A 79 4.507 -9.624 0.240 1.00 0.00 C ATOM 1202 O THR A 79 4.750 -8.457 -0.062 1.00 0.00 O ATOM 1203 CB THR A 79 2.280 -9.783 1.489 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.851 -8.547 1.911 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.558 -10.739 2.650 1.00 0.00 C ATOM 0 H THR A 79 3.087 -12.104 0.975 1.00 0.00 H new ATOM 0 HA THR A 79 2.588 -9.664 -0.622 1.00 0.00 H new ATOM 0 HB THR A 79 1.213 -9.788 1.264 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.158 -7.991 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.974 -10.436 3.519 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.280 -11.753 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.619 -10.711 2.899 1.00 0.00 H new ATOM 1213 N LYS A 80 5.422 -10.515 0.593 1.00 0.00 N ATOM 1214 CA LYS A 80 6.829 -10.159 0.648 1.00 0.00 C ATOM 1215 C LYS A 80 7.277 -9.649 -0.724 1.00 0.00 C ATOM 1216 O LYS A 80 8.283 -8.951 -0.832 1.00 0.00 O ATOM 1217 CB LYS A 80 7.659 -11.335 1.167 1.00 0.00 C ATOM 1218 CG LYS A 80 8.401 -12.030 0.023 1.00 0.00 C ATOM 1219 CD LYS A 80 9.693 -11.287 -0.324 1.00 0.00 C ATOM 1220 CE LYS A 80 9.829 -11.101 -1.836 1.00 0.00 C ATOM 1221 NZ LYS A 80 11.085 -10.388 -2.159 1.00 0.00 N ATOM 0 H LYS A 80 5.216 -11.482 0.844 1.00 0.00 H new ATOM 0 HA LYS A 80 6.988 -9.347 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.376 -10.980 1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.008 -12.050 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.633 -13.057 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.758 -12.079 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.701 -10.314 0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.550 -11.843 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.818 -12.072 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.976 -10.539 -2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.099 -10.150 -3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.143 -9.515 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.898 -10.998 -1.936 1.00 0.00 H new ATOM 1235 N LYS A 81 6.506 -10.018 -1.736 1.00 0.00 N ATOM 1236 CA LYS A 81 6.811 -9.606 -3.096 1.00 0.00 C ATOM 1237 C LYS A 81 5.822 -8.521 -3.529 1.00 0.00 C ATOM 1238 O LYS A 81 5.851 -8.071 -4.673 1.00 0.00 O ATOM 1239 CB LYS A 81 6.840 -10.819 -4.029 1.00 0.00 C ATOM 1240 CG LYS A 81 5.570 -10.887 -4.880 1.00 0.00 C ATOM 1241 CD LYS A 81 5.312 -12.314 -5.368 1.00 0.00 C ATOM 1242 CE LYS A 81 4.380 -13.061 -4.413 1.00 0.00 C ATOM 1243 NZ LYS A 81 4.263 -14.482 -4.810 1.00 0.00 N ATOM 0 H LYS A 81 5.672 -10.597 -1.642 1.00 0.00 H new ATOM 0 HA LYS A 81 7.808 -9.169 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.714 -10.762 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.938 -11.732 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.718 -10.539 -4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.665 -10.218 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.871 -12.287 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.258 -12.850 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.762 -12.992 -3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.395 -12.594 -4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.627 -14.975 -4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.878 -14.542 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.202 -14.928 -4.784 1.00 0.00 H new ATOM 1257 N ALA A 82 4.972 -8.131 -2.590 1.00 0.00 N ATOM 1258 CA ALA A 82 3.977 -7.107 -2.860 1.00 0.00 C ATOM 1259 C ALA A 82 4.428 -5.787 -2.233 1.00 0.00 C ATOM 1260 O ALA A 82 5.190 -5.783 -1.267 1.00 0.00 O ATOM 1261 CB ALA A 82 2.615 -7.568 -2.335 1.00 0.00 C ATOM 0 H ALA A 82 4.952 -8.506 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 82 3.874 -6.944 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.868 -6.800 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.328 -8.494 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.678 -7.739 -1.260 1.00 0.00 H new ATOM 1267 N ALA A 83 3.939 -4.698 -2.808 1.00 0.00 N ATOM 1268 CA ALA A 83 4.282 -3.374 -2.317 1.00 0.00 C ATOM 1269 C ALA A 83 3.188 -2.888 -1.365 1.00 0.00 C ATOM 1270 O ALA A 83 2.135 -3.513 -1.253 1.00 0.00 O ATOM 1271 CB ALA A 83 4.486 -2.427 -3.502 1.00 0.00 C ATOM 0 H ALA A 83 3.308 -4.705 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 83 5.217 -3.403 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.743 -1.434 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.293 -2.801 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.567 -2.371 -4.085 1.00 0.00 H new ATOM 1277 N PHE A 84 3.476 -1.779 -0.701 1.00 0.00 N ATOM 1278 CA PHE A 84 2.529 -1.202 0.239 1.00 0.00 C ATOM 1279 C PHE A 84 2.689 0.318 0.316 1.00 0.00 C ATOM 1280 O PHE A 84 3.807 0.824 0.403 1.00 0.00 O ATOM 1281 CB PHE A 84 2.838 -1.804 1.611 1.00 0.00 C ATOM 1282 CG PHE A 84 3.729 -3.047 1.559 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.201 -4.249 1.205 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.051 -2.949 1.865 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.029 -5.402 1.157 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.878 -4.101 1.816 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.349 -5.304 1.463 1.00 0.00 C ATOM 0 H PHE A 84 4.351 -1.264 -0.795 1.00 0.00 H new ATOM 0 HA PHE A 84 1.510 -1.418 -0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.323 -1.047 2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.900 -2.062 2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.152 -4.327 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.471 -1.994 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.609 -6.357 0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.927 -4.023 2.059 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.978 -6.181 1.426 1.00 0.00 H new ATOM 1297 N ILE A 85 1.555 1.003 0.279 1.00 0.00 N ATOM 1298 CA ILE A 85 1.556 2.455 0.343 1.00 0.00 C ATOM 1299 C ILE A 85 1.003 2.901 1.699 1.00 0.00 C ATOM 1300 O ILE A 85 -0.056 2.442 2.122 1.00 0.00 O ATOM 1301 CB ILE A 85 0.804 3.043 -0.852 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.254 2.389 -2.160 1.00 0.00 C ATOM 1303 CG2 ILE A 85 0.947 4.566 -0.893 1.00 0.00 C ATOM 1304 CD1 ILE A 85 0.521 2.997 -3.357 1.00 0.00 C ATOM 0 H ILE A 85 0.630 0.580 0.206 1.00 0.00 H new ATOM 0 HA ILE A 85 2.573 2.840 0.271 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.256 2.822 -0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.329 2.517 -2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.064 1.317 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.403 4.960 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.539 4.995 0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.001 4.830 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.859 2.515 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.552 2.845 -3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.733 4.065 -3.409 1.00 0.00 H new ATOM 1316 N ILE A 86 1.746 3.791 2.340 1.00 0.00 N ATOM 1317 CA ILE A 86 1.344 4.305 3.638 1.00 0.00 C ATOM 1318 C ILE A 86 1.355 5.834 3.603 1.00 0.00 C ATOM 1319 O ILE A 86 2.420 6.451 3.594 1.00 0.00 O ATOM 1320 CB ILE A 86 2.216 3.709 4.744 1.00 0.00 C ATOM 1321 CG1 ILE A 86 2.941 2.453 4.254 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.394 3.439 6.006 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.963 1.291 4.071 1.00 0.00 C ATOM 0 H ILE A 86 2.624 4.169 1.985 1.00 0.00 H new ATOM 0 HA ILE A 86 0.324 3.999 3.869 1.00 0.00 H new ATOM 0 HB ILE A 86 2.980 4.441 5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.442 2.663 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.714 2.173 4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.038 3.015 6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.963 4.373 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.594 2.736 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.504 0.411 3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.482 1.067 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.205 1.565 3.337 1.00 0.00 H new ATOM 1335 N LEU A 87 0.159 6.403 3.583 1.00 0.00 N ATOM 1336 CA LEU A 87 0.019 7.849 3.549 1.00 0.00 C ATOM 1337 C LEU A 87 -0.954 8.290 4.646 1.00 0.00 C ATOM 1338 O LEU A 87 -1.717 7.477 5.166 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.383 8.315 2.148 1.00 0.00 C ATOM 1340 CG LEU A 87 -1.884 8.487 1.903 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.635 7.181 2.172 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.444 9.650 2.722 1.00 0.00 C ATOM 0 H LEU A 87 -0.722 5.889 3.590 1.00 0.00 H new ATOM 0 HA LEU A 87 0.975 8.329 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.109 9.267 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.003 7.598 1.423 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.033 8.734 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.700 7.329 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.259 6.402 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.482 6.880 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.512 9.750 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.283 9.458 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.936 10.572 2.439 1.00 0.00 H new ATOM 1354 N THR A 88 -0.895 9.574 4.964 1.00 0.00 N ATOM 1355 CA THR A 88 -1.760 10.132 5.989 1.00 0.00 C ATOM 1356 C THR A 88 -2.368 11.453 5.513 1.00 0.00 C ATOM 1357 O THR A 88 -2.023 11.948 4.441 1.00 0.00 O ATOM 1358 CB THR A 88 -0.943 10.267 7.275 1.00 0.00 C ATOM 1359 OG1 THR A 88 -1.689 11.190 8.064 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.397 10.970 7.046 1.00 0.00 C ATOM 0 H THR A 88 -0.261 10.245 4.530 1.00 0.00 H new ATOM 0 HA THR A 88 -2.606 9.476 6.192 1.00 0.00 H new ATOM 0 HB THR A 88 -0.766 9.278 7.699 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.407 10.715 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.937 11.040 7.990 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.989 10.400 6.330 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.220 11.972 6.654 1.00 0.00 H new ATOM 1368 N ALA A 89 -3.263 11.984 6.333 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.923 13.239 6.009 1.00 0.00 C ATOM 1370 C ALA A 89 -2.868 14.332 5.830 1.00 0.00 C ATOM 1371 O ALA A 89 -3.160 15.397 5.288 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.937 13.579 7.102 1.00 0.00 C ATOM 0 H ALA A 89 -3.547 11.569 7.221 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.472 13.154 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.432 14.519 6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.680 12.785 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.423 13.676 8.058 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.664 14.032 6.295 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.565 14.977 6.194 1.00 0.00 C ATOM 1380 C GLN A 90 0.547 14.404 5.312 1.00 0.00 C ATOM 1381 O GLN A 90 0.597 14.678 4.114 1.00 0.00 O ATOM 1382 CB GLN A 90 -0.032 15.347 7.578 1.00 0.00 C ATOM 1383 CG GLN A 90 -0.999 16.283 8.306 1.00 0.00 C ATOM 1384 CD GLN A 90 -0.268 17.513 8.849 1.00 0.00 C ATOM 1385 OE1 GLN A 90 0.300 18.303 8.115 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -0.317 17.630 10.174 1.00 0.00 N ATOM 0 H GLN A 90 -1.425 13.147 6.743 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.937 15.890 5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.118 14.443 8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.941 15.828 7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.789 16.597 7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.479 15.749 9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.811 16.931 10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.139 18.418 10.634 1.00 0.00 H new ATOM 1395 N GLY A 91 1.411 13.620 5.939 1.00 0.00 N ATOM 1396 CA GLY A 91 2.519 13.006 5.228 1.00 0.00 C ATOM 1397 C GLY A 91 3.629 12.591 6.195 1.00 0.00 C ATOM 1398 O GLY A 91 3.986 13.346 7.098 1.00 0.00 O ATOM 0 H GLY A 91 1.366 13.396 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.165 12.133 4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.916 13.705 4.492 1.00 0.00 H new ATOM 1402 N ASP A 92 4.146 11.391 5.972 1.00 0.00 N ATOM 1403 CA ASP A 92 5.208 10.866 6.812 1.00 0.00 C ATOM 1404 C ASP A 92 6.212 10.105 5.943 1.00 0.00 C ATOM 1405 O ASP A 92 6.201 8.876 5.908 1.00 0.00 O ATOM 1406 CB ASP A 92 4.655 9.894 7.856 1.00 0.00 C ATOM 1407 CG ASP A 92 3.664 10.506 8.848 1.00 0.00 C ATOM 1408 OD1 ASP A 92 3.859 11.692 9.187 1.00 0.00 O ATOM 1409 OD2 ASP A 92 2.732 9.773 9.244 1.00 0.00 O ATOM 0 H ASP A 92 3.849 10.768 5.221 1.00 0.00 H new ATOM 0 HA ASP A 92 5.684 11.706 7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.166 9.069 7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.490 9.470 8.414 1.00 0.00 H new ATOM 1414 N ARG A 93 7.055 10.868 5.263 1.00 0.00 N ATOM 1415 CA ARG A 93 8.062 10.281 4.396 1.00 0.00 C ATOM 1416 C ARG A 93 8.953 9.324 5.190 1.00 0.00 C ATOM 1417 O ARG A 93 9.375 8.291 4.673 1.00 0.00 O ATOM 1418 CB ARG A 93 8.932 11.363 3.752 1.00 0.00 C ATOM 1419 CG ARG A 93 8.471 11.660 2.324 1.00 0.00 C ATOM 1420 CD ARG A 93 8.572 13.155 2.015 1.00 0.00 C ATOM 1421 NE ARG A 93 7.645 13.915 2.884 1.00 0.00 N ATOM 1422 CZ ARG A 93 7.762 15.223 3.145 1.00 0.00 C ATOM 1423 NH1 ARG A 93 8.767 15.927 2.605 1.00 0.00 N ATOM 1424 NH2 ARG A 93 6.874 15.829 3.944 1.00 0.00 N ATOM 0 H ARG A 93 7.061 11.887 5.295 1.00 0.00 H new ATOM 0 HA ARG A 93 7.544 9.732 3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.887 12.274 4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.973 11.039 3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.080 11.097 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.441 11.327 2.194 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.594 13.499 2.171 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.332 13.335 0.967 1.00 0.00 H new ATOM 0 HE ARG A 93 6.868 13.410 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.443 15.466 1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.856 16.923 2.804 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.108 15.294 4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.963 16.825 4.143 1.00 0.00 H new ATOM 1438 N ALA A 94 9.215 9.703 6.432 1.00 0.00 N ATOM 1439 CA ALA A 94 10.048 8.892 7.303 1.00 0.00 C ATOM 1440 C ALA A 94 9.345 7.561 7.580 1.00 0.00 C ATOM 1441 O ALA A 94 9.986 6.511 7.613 1.00 0.00 O ATOM 1442 CB ALA A 94 10.354 9.667 8.585 1.00 0.00 C ATOM 0 H ALA A 94 8.865 10.562 6.856 1.00 0.00 H new ATOM 0 HA ALA A 94 11.001 8.668 6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.979 9.058 9.238 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.880 10.589 8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.422 9.908 9.096 1.00 0.00 H new ATOM 1448 N LEU A 95 8.037 7.649 7.772 1.00 0.00 N ATOM 1449 CA LEU A 95 7.240 6.465 8.045 1.00 0.00 C ATOM 1450 C LEU A 95 7.393 5.474 6.890 1.00 0.00 C ATOM 1451 O LEU A 95 7.661 4.293 7.110 1.00 0.00 O ATOM 1452 CB LEU A 95 5.788 6.852 8.335 1.00 0.00 C ATOM 1453 CG LEU A 95 5.510 7.413 9.731 1.00 0.00 C ATOM 1454 CD1 LEU A 95 5.026 6.314 10.679 1.00 0.00 C ATOM 1455 CD2 LEU A 95 6.734 8.147 10.281 1.00 0.00 C ATOM 0 H LEU A 95 7.509 8.521 7.744 1.00 0.00 H new ATOM 0 HA LEU A 95 7.598 5.964 8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.476 7.593 7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.162 5.972 8.187 1.00 0.00 H new ATOM 0 HG LEU A 95 4.706 8.144 9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.836 6.741 11.664 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.107 5.876 10.290 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.790 5.541 10.760 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.509 8.536 11.274 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.575 7.456 10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.991 8.973 9.618 1.00 0.00 H new ATOM 1467 N VAL A 96 7.217 5.990 5.683 1.00 0.00 N ATOM 1468 CA VAL A 96 7.333 5.166 4.492 1.00 0.00 C ATOM 1469 C VAL A 96 8.782 4.698 4.339 1.00 0.00 C ATOM 1470 O VAL A 96 9.054 3.499 4.335 1.00 0.00 O ATOM 1471 CB VAL A 96 6.821 5.934 3.271 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.714 5.687 2.054 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.366 5.572 2.966 1.00 0.00 C ATOM 0 H VAL A 96 6.995 6.969 5.504 1.00 0.00 H new ATOM 0 HA VAL A 96 6.711 4.275 4.583 1.00 0.00 H new ATOM 0 HB VAL A 96 6.860 6.998 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.328 6.244 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.729 6.018 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.722 4.623 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.027 6.131 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.292 4.504 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.741 5.823 3.823 1.00 0.00 H new ATOM 1483 N GLN A 97 9.674 5.670 4.217 1.00 0.00 N ATOM 1484 CA GLN A 97 11.088 5.373 4.064 1.00 0.00 C ATOM 1485 C GLN A 97 11.539 4.377 5.134 1.00 0.00 C ATOM 1486 O GLN A 97 12.448 3.581 4.903 1.00 0.00 O ATOM 1487 CB GLN A 97 11.926 6.652 4.118 1.00 0.00 C ATOM 1488 CG GLN A 97 11.641 7.545 2.908 1.00 0.00 C ATOM 1489 CD GLN A 97 12.936 7.909 2.178 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.323 9.061 2.084 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.580 6.863 1.667 1.00 0.00 N ATOM 0 H GLN A 97 9.445 6.664 4.221 1.00 0.00 H new ATOM 0 HA GLN A 97 11.240 4.919 3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.706 7.197 5.036 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.985 6.396 4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.966 7.032 2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.135 8.454 3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.200 5.924 1.783 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.454 7.000 1.160 1.00 0.00 H new ATOM 1500 N LYS A 98 10.884 4.454 6.284 1.00 0.00 N ATOM 1501 CA LYS A 98 11.207 3.569 7.390 1.00 0.00 C ATOM 1502 C LYS A 98 10.820 2.136 7.020 1.00 0.00 C ATOM 1503 O LYS A 98 11.621 1.215 7.171 1.00 0.00 O ATOM 1504 CB LYS A 98 10.556 4.067 8.682 1.00 0.00 C ATOM 1505 CG LYS A 98 11.467 5.061 9.406 1.00 0.00 C ATOM 1506 CD LYS A 98 10.732 5.731 10.569 1.00 0.00 C ATOM 1507 CE LYS A 98 11.515 6.938 11.090 1.00 0.00 C ATOM 1508 NZ LYS A 98 11.485 6.976 12.568 1.00 0.00 N ATOM 0 H LYS A 98 10.131 5.116 6.473 1.00 0.00 H new ATOM 0 HA LYS A 98 12.280 3.572 7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.602 4.542 8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.342 3.221 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.351 4.544 9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 98 11.814 5.820 8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.742 6.049 10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.587 5.012 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.547 6.887 10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.088 7.857 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.021 7.801 12.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.500 7.047 12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.913 6.107 12.946 1.00 0.00 H new ATOM 1522 N ALA A 99 9.593 1.992 6.542 1.00 0.00 N ATOM 1523 CA ALA A 99 9.091 0.686 6.150 1.00 0.00 C ATOM 1524 C ALA A 99 10.058 0.053 5.147 1.00 0.00 C ATOM 1525 O ALA A 99 10.489 -1.084 5.327 1.00 0.00 O ATOM 1526 CB ALA A 99 7.676 0.831 5.585 1.00 0.00 C ATOM 0 H ALA A 99 8.931 2.758 6.417 1.00 0.00 H new ATOM 0 HA ALA A 99 9.031 0.023 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.299 -0.149 5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.022 1.258 6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.697 1.488 4.715 1.00 0.00 H new ATOM 1532 N ALA A 100 10.368 0.818 4.110 1.00 0.00 N ATOM 1533 CA ALA A 100 11.276 0.346 3.078 1.00 0.00 C ATOM 1534 C ALA A 100 12.580 -0.124 3.727 1.00 0.00 C ATOM 1535 O ALA A 100 13.126 -1.160 3.350 1.00 0.00 O ATOM 1536 CB ALA A 100 11.504 1.457 2.051 1.00 0.00 C ATOM 0 H ALA A 100 10.007 1.760 3.962 1.00 0.00 H new ATOM 0 HA ALA A 100 10.846 -0.504 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.185 1.103 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.552 1.734 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.937 2.326 2.546 1.00 0.00 H new ATOM 1542 N ALA A 101 13.040 0.661 4.691 1.00 0.00 N ATOM 1543 CA ALA A 101 14.270 0.337 5.395 1.00 0.00 C ATOM 1544 C ALA A 101 14.053 -0.922 6.237 1.00 0.00 C ATOM 1545 O ALA A 101 14.859 -1.850 6.191 1.00 0.00 O ATOM 1546 CB ALA A 101 14.703 1.537 6.240 1.00 0.00 C ATOM 0 H ALA A 101 12.584 1.519 5.001 1.00 0.00 H new ATOM 0 HA ALA A 101 15.074 0.127 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.625 1.296 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.871 2.397 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.922 1.774 6.962 1.00 0.00 H new ATOM 1552 N LEU A 102 12.961 -0.913 6.987 1.00 0.00 N ATOM 1553 CA LEU A 102 12.628 -2.043 7.838 1.00 0.00 C ATOM 1554 C LEU A 102 12.936 -3.344 7.094 1.00 0.00 C ATOM 1555 O LEU A 102 13.536 -4.259 7.656 1.00 0.00 O ATOM 1556 CB LEU A 102 11.182 -1.940 8.325 1.00 0.00 C ATOM 1557 CG LEU A 102 10.975 -1.234 9.667 1.00 0.00 C ATOM 1558 CD1 LEU A 102 11.868 -1.842 10.749 1.00 0.00 C ATOM 1559 CD2 LEU A 102 11.184 0.276 9.529 1.00 0.00 C ATOM 0 H LEU A 102 12.295 -0.141 7.023 1.00 0.00 H new ATOM 0 HA LEU A 102 13.243 -2.037 8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.601 -1.415 7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.772 -2.947 8.400 1.00 0.00 H new ATOM 0 HG LEU A 102 9.942 -1.388 9.980 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.702 -1.322 11.693 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.627 -2.898 10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.913 -1.740 10.458 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.031 0.754 10.496 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.199 0.473 9.183 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.471 0.678 8.809 1.00 0.00 H new ATOM 1571 N GLY A 103 12.510 -3.387 5.840 1.00 0.00 N ATOM 1572 CA GLY A 103 12.733 -4.561 5.013 1.00 0.00 C ATOM 1573 C GLY A 103 11.486 -4.897 4.191 1.00 0.00 C ATOM 1574 O GLY A 103 11.065 -6.051 4.138 1.00 0.00 O ATOM 0 H GLY A 103 12.011 -2.627 5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.577 -4.385 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.997 -5.410 5.644 1.00 0.00 H new ATOM 1578 N ALA A 104 10.930 -3.865 3.571 1.00 0.00 N ATOM 1579 CA ALA A 104 9.740 -4.036 2.755 1.00 0.00 C ATOM 1580 C ALA A 104 10.151 -4.199 1.290 1.00 0.00 C ATOM 1581 O ALA A 104 11.242 -3.787 0.898 1.00 0.00 O ATOM 1582 CB ALA A 104 8.799 -2.848 2.968 1.00 0.00 C ATOM 0 H ALA A 104 11.282 -2.909 3.618 1.00 0.00 H new ATOM 0 HA ALA A 104 9.200 -4.936 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.906 -2.977 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.514 -2.794 4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.306 -1.926 2.682 1.00 0.00 H new ATOM 1588 N ASN A 105 9.256 -4.802 0.521 1.00 0.00 N ATOM 1589 CA ASN A 105 9.512 -5.024 -0.892 1.00 0.00 C ATOM 1590 C ASN A 105 9.455 -3.687 -1.633 1.00 0.00 C ATOM 1591 O ASN A 105 10.359 -3.359 -2.400 1.00 0.00 O ATOM 1592 CB ASN A 105 8.458 -5.949 -1.504 1.00 0.00 C ATOM 1593 CG ASN A 105 8.961 -6.564 -2.812 1.00 0.00 C ATOM 1594 OD1 ASN A 105 8.775 -6.028 -3.892 1.00 0.00 O ATOM 1595 ND2 ASN A 105 9.606 -7.717 -2.655 1.00 0.00 N ATOM 0 H ASN A 105 8.353 -5.144 0.850 1.00 0.00 H new ATOM 0 HA ASN A 105 10.495 -5.484 -0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.210 -6.741 -0.797 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.542 -5.389 -1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.980 -8.207 -3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.727 -8.111 -1.722 1.00 0.00 H new ATOM 1602 N ASN A 106 8.384 -2.951 -1.378 1.00 0.00 N ATOM 1603 CA ASN A 106 8.198 -1.656 -2.011 1.00 0.00 C ATOM 1604 C ASN A 106 7.099 -0.887 -1.275 1.00 0.00 C ATOM 1605 O ASN A 106 5.941 -1.301 -1.272 1.00 0.00 O ATOM 1606 CB ASN A 106 7.767 -1.814 -3.471 1.00 0.00 C ATOM 1607 CG ASN A 106 8.855 -1.310 -4.422 1.00 0.00 C ATOM 1608 OD1 ASN A 106 8.728 -0.279 -5.062 1.00 0.00 O ATOM 1609 ND2 ASN A 106 9.930 -2.092 -4.476 1.00 0.00 N ATOM 0 H ASN A 106 7.636 -3.226 -0.742 1.00 0.00 H new ATOM 0 HA ASN A 106 9.147 -1.121 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.554 -2.862 -3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.844 -1.261 -3.643 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.713 -1.842 -5.080 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.971 -2.942 -3.913 1.00 0.00 H new ATOM 1616 N VAL A 107 7.501 0.221 -0.669 1.00 0.00 N ATOM 1617 CA VAL A 107 6.566 1.051 0.070 1.00 0.00 C ATOM 1618 C VAL A 107 6.669 2.494 -0.429 1.00 0.00 C ATOM 1619 O VAL A 107 7.764 3.046 -0.521 1.00 0.00 O ATOM 1620 CB VAL A 107 6.820 0.919 1.572 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.242 1.359 1.928 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.784 1.708 2.376 1.00 0.00 C ATOM 0 H VAL A 107 8.462 0.563 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 107 5.542 0.718 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 107 6.718 -0.133 1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.397 1.255 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.960 0.735 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.383 2.401 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.988 1.597 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.838 2.762 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.786 1.328 2.156 1.00 0.00 H new ATOM 1632 N LEU A 108 5.513 3.064 -0.738 1.00 0.00 N ATOM 1633 CA LEU A 108 5.459 4.432 -1.225 1.00 0.00 C ATOM 1634 C LEU A 108 4.557 5.260 -0.308 1.00 0.00 C ATOM 1635 O LEU A 108 3.581 4.747 0.237 1.00 0.00 O ATOM 1636 CB LEU A 108 5.036 4.461 -2.695 1.00 0.00 C ATOM 1637 CG LEU A 108 6.132 4.147 -3.715 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.453 4.812 -3.324 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.285 2.637 -3.906 1.00 0.00 C ATOM 0 H LEU A 108 4.606 2.603 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 108 6.449 4.887 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.224 3.747 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.633 5.449 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 108 5.834 4.565 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.215 4.572 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.317 5.893 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.770 4.446 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.070 2.440 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.550 2.175 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.344 2.218 -4.263 1.00 0.00 H new ATOM 1651 N ALA A 109 4.914 6.527 -0.167 1.00 0.00 N ATOM 1652 CA ALA A 109 4.149 7.432 0.674 1.00 0.00 C ATOM 1653 C ALA A 109 3.309 8.357 -0.209 1.00 0.00 C ATOM 1654 O ALA A 109 3.463 8.363 -1.430 1.00 0.00 O ATOM 1655 CB ALA A 109 5.100 8.207 1.590 1.00 0.00 C ATOM 0 H ALA A 109 5.724 6.949 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 109 3.464 6.874 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.525 8.886 2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.651 7.507 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.801 8.781 0.984 1.00 0.00 H new ATOM 1661 N LYS A 110 2.438 9.114 0.441 1.00 0.00 N ATOM 1662 CA LYS A 110 1.573 10.040 -0.270 1.00 0.00 C ATOM 1663 C LYS A 110 1.495 11.356 0.505 1.00 0.00 C ATOM 1664 O LYS A 110 0.423 11.749 0.960 1.00 0.00 O ATOM 1665 CB LYS A 110 0.209 9.400 -0.537 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.239 9.647 -1.979 1.00 0.00 C ATOM 1667 CD LYS A 110 -1.704 9.248 -2.174 1.00 0.00 C ATOM 1668 CE LYS A 110 -1.832 7.751 -2.458 1.00 0.00 C ATOM 1669 NZ LYS A 110 -1.472 7.458 -3.863 1.00 0.00 N ATOM 0 H LYS A 110 2.312 9.105 1.453 1.00 0.00 H new ATOM 0 HA LYS A 110 1.987 10.273 -1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.263 8.328 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.530 9.809 0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.109 10.700 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.391 9.077 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.276 9.502 -1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.132 9.816 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.183 7.190 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.853 7.424 -2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.693 6.465 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.015 8.078 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.455 7.625 -4.003 1.00 0.00 H new ATOM 1683 N PRO A 111 2.676 12.018 0.633 1.00 0.00 N ATOM 1684 CA PRO A 111 2.752 13.283 1.345 1.00 0.00 C ATOM 1685 C PRO A 111 2.165 14.420 0.506 1.00 0.00 C ATOM 1686 O PRO A 111 1.407 14.178 -0.432 1.00 0.00 O ATOM 1687 CB PRO A 111 4.227 13.473 1.655 1.00 0.00 C ATOM 1688 CG PRO A 111 4.974 12.549 0.707 1.00 0.00 C ATOM 1689 CD PRO A 111 3.966 11.583 0.106 1.00 0.00 C ATOM 0 HA PRO A 111 2.163 13.285 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.527 14.510 1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.443 13.224 2.694 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.466 13.124 -0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.753 12.005 1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.982 11.621 -0.983 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.184 10.554 0.392 1.00 0.00 H new ATOM 1697 N PHE A 112 2.538 15.637 0.875 1.00 0.00 N ATOM 1698 CA PHE A 112 2.058 16.813 0.168 1.00 0.00 C ATOM 1699 C PHE A 112 3.012 17.200 -0.963 1.00 0.00 C ATOM 1700 O PHE A 112 2.984 18.332 -1.444 1.00 0.00 O ATOM 1701 CB PHE A 112 2.002 17.955 1.186 1.00 0.00 C ATOM 1702 CG PHE A 112 0.611 18.197 1.773 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -0.350 18.797 1.021 1.00 0.00 C ATOM 1704 CD2 PHE A 112 0.335 17.813 3.048 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -1.641 19.022 1.567 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -0.956 18.038 3.593 1.00 0.00 C ATOM 1707 CZ PHE A 112 -1.917 18.638 2.841 1.00 0.00 C ATOM 0 H PHE A 112 3.167 15.834 1.654 1.00 0.00 H new ATOM 0 HA PHE A 112 1.081 16.611 -0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.695 17.738 1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.348 18.871 0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.131 19.102 0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.098 17.337 3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.404 19.499 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.175 17.733 4.605 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.899 18.809 3.256 1.00 0.00 H new ATOM 1717 N THR A 113 3.834 16.238 -1.356 1.00 0.00 N ATOM 1718 CA THR A 113 4.796 16.463 -2.422 1.00 0.00 C ATOM 1719 C THR A 113 4.553 15.486 -3.574 1.00 0.00 C ATOM 1720 O THR A 113 5.033 14.355 -3.545 1.00 0.00 O ATOM 1721 CB THR A 113 6.200 16.359 -1.823 1.00 0.00 C ATOM 1722 OG1 THR A 113 7.046 16.163 -2.953 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.388 15.088 -0.991 1.00 0.00 C ATOM 0 H THR A 113 3.854 15.300 -0.955 1.00 0.00 H new ATOM 0 HA THR A 113 4.684 17.458 -2.852 1.00 0.00 H new ATOM 0 HB THR A 113 6.395 17.232 -1.201 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.977 16.087 -2.656 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.401 15.063 -0.589 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.671 15.081 -0.170 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.226 14.213 -1.621 1.00 0.00 H new ATOM 1731 N ILE A 114 3.808 15.961 -4.562 1.00 0.00 N ATOM 1732 CA ILE A 114 3.496 15.144 -5.723 1.00 0.00 C ATOM 1733 C ILE A 114 4.788 14.550 -6.286 1.00 0.00 C ATOM 1734 O ILE A 114 4.767 13.495 -6.918 1.00 0.00 O ATOM 1735 CB ILE A 114 2.693 15.951 -6.745 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.520 17.113 -7.299 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.365 16.423 -6.150 1.00 0.00 C ATOM 1738 CD1 ILE A 114 3.834 16.905 -8.781 1.00 0.00 C ATOM 0 H ILE A 114 3.412 16.901 -4.582 1.00 0.00 H new ATOM 0 HA ILE A 114 2.858 14.307 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 114 2.455 15.298 -7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.975 18.048 -7.167 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.449 17.204 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.814 16.994 -6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.775 15.558 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.559 17.053 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.423 17.745 -9.150 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.400 15.982 -8.907 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.903 16.839 -9.344 1.00 0.00 H new ATOM 1750 N GLU A 115 5.883 15.254 -6.037 1.00 0.00 N ATOM 1751 CA GLU A 115 7.182 14.809 -6.511 1.00 0.00 C ATOM 1752 C GLU A 115 7.567 13.486 -5.844 1.00 0.00 C ATOM 1753 O GLU A 115 8.100 12.591 -6.497 1.00 0.00 O ATOM 1754 CB GLU A 115 8.250 15.876 -6.266 1.00 0.00 C ATOM 1755 CG GLU A 115 9.324 15.838 -7.354 1.00 0.00 C ATOM 1756 CD GLU A 115 10.477 16.788 -7.022 1.00 0.00 C ATOM 1757 OE1 GLU A 115 11.132 16.543 -5.985 1.00 0.00 O ATOM 1758 OE2 GLU A 115 10.679 17.736 -7.810 1.00 0.00 O ATOM 0 H GLU A 115 5.897 16.129 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 115 7.117 14.646 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.785 16.862 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.710 15.718 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.704 14.822 -7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.885 16.115 -8.313 1.00 0.00 H new ATOM 1765 N LYS A 116 7.281 13.406 -4.554 1.00 0.00 N ATOM 1766 CA LYS A 116 7.590 12.208 -3.791 1.00 0.00 C ATOM 1767 C LYS A 116 6.583 11.111 -4.143 1.00 0.00 C ATOM 1768 O LYS A 116 6.967 10.031 -4.591 1.00 0.00 O ATOM 1769 CB LYS A 116 7.655 12.525 -2.296 1.00 0.00 C ATOM 1770 CG LYS A 116 8.707 11.661 -1.598 1.00 0.00 C ATOM 1771 CD LYS A 116 10.121 12.089 -1.996 1.00 0.00 C ATOM 1772 CE LYS A 116 11.037 12.165 -0.773 1.00 0.00 C ATOM 1773 NZ LYS A 116 11.933 13.338 -0.868 1.00 0.00 N ATOM 0 H LYS A 116 6.838 14.151 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 116 8.578 11.833 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.893 13.579 -2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.679 12.354 -1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.590 11.741 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.553 10.614 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.529 11.381 -2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.085 13.061 -2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.437 12.231 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.629 11.253 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.548 13.374 -0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.519 13.259 -1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.363 14.207 -0.917 1.00 0.00 H new ATOM 1787 N MET A 117 5.314 11.425 -3.929 1.00 0.00 N ATOM 1788 CA MET A 117 4.249 10.480 -4.217 1.00 0.00 C ATOM 1789 C MET A 117 4.325 9.994 -5.666 1.00 0.00 C ATOM 1790 O MET A 117 4.361 8.792 -5.920 1.00 0.00 O ATOM 1791 CB MET A 117 2.893 11.147 -3.973 1.00 0.00 C ATOM 1792 CG MET A 117 1.752 10.286 -4.517 1.00 0.00 C ATOM 1793 SD MET A 117 1.474 10.658 -6.240 1.00 0.00 S ATOM 1794 CE MET A 117 0.320 12.011 -6.082 1.00 0.00 C ATOM 0 H MET A 117 4.999 12.322 -3.559 1.00 0.00 H new ATOM 0 HA MET A 117 4.364 9.620 -3.558 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.752 11.311 -2.905 1.00 0.00 H new ATOM 0 HB3 MET A 117 2.874 12.126 -4.451 1.00 0.00 H new ATOM 0 HG2 MET A 117 1.994 9.230 -4.399 1.00 0.00 H new ATOM 0 HG3 MET A 117 0.842 10.470 -3.945 1.00 0.00 H new ATOM 0 HE1 MET A 117 0.039 12.367 -7.073 1.00 0.00 H new ATOM 0 HE2 MET A 117 -0.570 11.670 -5.553 1.00 0.00 H new ATOM 0 HE3 MET A 117 0.785 12.823 -5.523 1.00 0.00 H new ATOM 1804 N LYS A 118 4.347 10.955 -6.578 1.00 0.00 N ATOM 1805 CA LYS A 118 4.419 10.641 -7.995 1.00 0.00 C ATOM 1806 C LYS A 118 5.669 9.800 -8.264 1.00 0.00 C ATOM 1807 O LYS A 118 5.572 8.683 -8.770 1.00 0.00 O ATOM 1808 CB LYS A 118 4.345 11.919 -8.833 1.00 0.00 C ATOM 1809 CG LYS A 118 4.078 11.595 -10.304 1.00 0.00 C ATOM 1810 CD LYS A 118 4.908 12.495 -11.222 1.00 0.00 C ATOM 1811 CE LYS A 118 4.006 13.381 -12.084 1.00 0.00 C ATOM 1812 NZ LYS A 118 3.557 12.648 -13.288 1.00 0.00 N ATOM 0 H LYS A 118 4.316 11.952 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 118 3.560 10.041 -8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.555 12.564 -8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.280 12.472 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.318 10.550 -10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.018 11.725 -10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.571 13.119 -10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.541 11.881 -11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 118 3.141 13.703 -11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 118 4.545 14.281 -12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 2.946 13.264 -13.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.385 12.362 -13.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.024 11.802 -13.001 1.00 0.00 H new ATOM 1826 N ALA A 119 6.813 10.370 -7.914 1.00 0.00 N ATOM 1827 CA ALA A 119 8.080 9.687 -8.111 1.00 0.00 C ATOM 1828 C ALA A 119 8.039 8.331 -7.404 1.00 0.00 C ATOM 1829 O ALA A 119 8.609 7.355 -7.891 1.00 0.00 O ATOM 1830 CB ALA A 119 9.221 10.572 -7.607 1.00 0.00 C ATOM 0 H ALA A 119 6.889 11.297 -7.495 1.00 0.00 H new ATOM 0 HA ALA A 119 8.255 9.501 -9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.172 10.059 -7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.225 11.511 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.081 10.777 -6.546 1.00 0.00 H new ATOM 1836 N ALA A 120 7.359 8.312 -6.268 1.00 0.00 N ATOM 1837 CA ALA A 120 7.235 7.091 -5.489 1.00 0.00 C ATOM 1838 C ALA A 120 6.626 5.993 -6.362 1.00 0.00 C ATOM 1839 O ALA A 120 7.217 4.928 -6.530 1.00 0.00 O ATOM 1840 CB ALA A 120 6.405 7.367 -4.234 1.00 0.00 C ATOM 0 H ALA A 120 6.887 9.123 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 120 8.215 6.745 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.312 6.451 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.897 8.132 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.413 7.715 -4.523 1.00 0.00 H new ATOM 1846 N ILE A 121 5.450 6.291 -6.896 1.00 0.00 N ATOM 1847 CA ILE A 121 4.753 5.343 -7.748 1.00 0.00 C ATOM 1848 C ILE A 121 5.654 4.963 -8.925 1.00 0.00 C ATOM 1849 O ILE A 121 5.736 3.793 -9.296 1.00 0.00 O ATOM 1850 CB ILE A 121 3.393 5.901 -8.170 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.441 6.441 -9.600 1.00 0.00 C ATOM 1852 CG2 ILE A 121 2.900 6.954 -7.176 1.00 0.00 C ATOM 1853 CD1 ILE A 121 2.045 6.838 -10.084 1.00 0.00 C ATOM 0 H ILE A 121 4.963 7.176 -6.755 1.00 0.00 H new ATOM 0 HA ILE A 121 4.539 4.425 -7.201 1.00 0.00 H new ATOM 0 HB ILE A 121 2.671 5.085 -8.159 1.00 0.00 H new ATOM 0 HG12 ILE A 121 4.104 7.305 -9.644 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.858 5.684 -10.264 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.931 7.334 -7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.802 6.504 -6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.616 7.775 -7.131 1.00 0.00 H new ATOM 0 HD11 ILE A 121 2.108 7.219 -11.103 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.391 5.966 -10.062 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.640 7.612 -9.432 1.00 0.00 H new ATOM 1865 N GLU A 122 6.306 5.974 -9.479 1.00 0.00 N ATOM 1866 CA GLU A 122 7.199 5.761 -10.606 1.00 0.00 C ATOM 1867 C GLU A 122 8.264 4.722 -10.250 1.00 0.00 C ATOM 1868 O GLU A 122 8.868 4.119 -11.137 1.00 0.00 O ATOM 1869 CB GLU A 122 7.842 7.075 -11.052 1.00 0.00 C ATOM 1870 CG GLU A 122 6.791 8.043 -11.600 1.00 0.00 C ATOM 1871 CD GLU A 122 7.379 8.925 -12.704 1.00 0.00 C ATOM 1872 OE1 GLU A 122 8.181 9.817 -12.350 1.00 0.00 O ATOM 1873 OE2 GLU A 122 7.013 8.686 -13.874 1.00 0.00 O ATOM 0 H GLU A 122 6.234 6.943 -9.169 1.00 0.00 H new ATOM 0 HA GLU A 122 6.613 5.380 -11.442 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.360 7.534 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.592 6.875 -11.818 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.943 7.481 -11.992 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.412 8.669 -10.792 1.00 0.00 H new ATOM 1880 N ALA A 123 8.462 4.545 -8.953 1.00 0.00 N ATOM 1881 CA ALA A 123 9.444 3.589 -8.469 1.00 0.00 C ATOM 1882 C ALA A 123 8.797 2.207 -8.364 1.00 0.00 C ATOM 1883 O ALA A 123 9.346 1.220 -8.850 1.00 0.00 O ATOM 1884 CB ALA A 123 10.011 4.070 -7.132 1.00 0.00 C ATOM 0 H ALA A 123 7.959 5.047 -8.221 1.00 0.00 H new ATOM 0 HA ALA A 123 10.278 3.510 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.747 3.353 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.487 5.041 -7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.203 4.159 -6.405 1.00 0.00 H new ATOM 1890 N VAL A 124 7.635 2.180 -7.725 1.00 0.00 N ATOM 1891 CA VAL A 124 6.906 0.936 -7.549 1.00 0.00 C ATOM 1892 C VAL A 124 6.561 0.354 -8.921 1.00 0.00 C ATOM 1893 O VAL A 124 6.466 -0.862 -9.079 1.00 0.00 O ATOM 1894 CB VAL A 124 5.674 1.171 -6.673 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.403 1.241 -7.520 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.556 0.092 -5.595 1.00 0.00 C ATOM 0 H VAL A 124 7.181 3.000 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 124 7.523 0.202 -7.030 1.00 0.00 H new ATOM 0 HB VAL A 124 5.796 2.132 -6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.543 1.409 -6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.486 2.061 -8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.273 0.303 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.672 0.282 -4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.468 -0.886 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.444 0.111 -4.963 1.00 0.00 H new ATOM 1906 N PHE A 125 6.381 1.250 -9.881 1.00 0.00 N ATOM 1907 CA PHE A 125 6.048 0.841 -11.235 1.00 0.00 C ATOM 1908 C PHE A 125 7.311 0.658 -12.079 1.00 0.00 C ATOM 1909 O PHE A 125 7.278 0.002 -13.119 1.00 0.00 O ATOM 1910 CB PHE A 125 5.201 1.959 -11.845 1.00 0.00 C ATOM 1911 CG PHE A 125 3.911 2.252 -11.075 1.00 0.00 C ATOM 1912 CD1 PHE A 125 3.443 1.355 -10.167 1.00 0.00 C ATOM 1913 CD2 PHE A 125 3.234 3.410 -11.299 1.00 0.00 C ATOM 1914 CE1 PHE A 125 2.246 1.627 -9.452 1.00 0.00 C ATOM 1915 CE2 PHE A 125 2.036 3.682 -10.584 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.568 2.784 -9.676 1.00 0.00 C ATOM 0 H PHE A 125 6.460 2.258 -9.748 1.00 0.00 H new ATOM 0 HA PHE A 125 5.515 -0.109 -11.215 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.799 2.869 -11.892 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.947 1.691 -12.870 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.981 0.436 -9.989 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.606 4.123 -12.020 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.874 0.915 -8.730 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.498 4.601 -10.762 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.658 2.990 -9.133 1.00 0.00 H new ATOM 1926 N GLY A 126 8.396 1.249 -11.599 1.00 0.00 N ATOM 1927 CA GLY A 126 9.668 1.159 -12.295 1.00 0.00 C ATOM 1928 C GLY A 126 10.805 0.842 -11.323 1.00 0.00 C ATOM 1929 O GLY A 126 11.213 -0.311 -11.193 1.00 0.00 O ATOM 0 H GLY A 126 8.420 1.792 -10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.613 0.385 -13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.874 2.099 -12.806 1.00 0.00 H new ATOM 1933 N ALA A 127 11.285 1.886 -10.662 1.00 0.00 N ATOM 1934 CA ALA A 127 12.367 1.733 -9.705 1.00 0.00 C ATOM 1935 C ALA A 127 11.815 1.139 -8.408 1.00 0.00 C ATOM 1936 O ALA A 127 11.240 1.853 -7.589 1.00 0.00 O ATOM 1937 CB ALA A 127 13.047 3.086 -9.484 1.00 0.00 C ATOM 0 H ALA A 127 10.944 2.841 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 127 13.123 1.046 -10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 127 13.859 2.972 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 127 13.447 3.451 -10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 127 12.319 3.800 -9.099 1.00 0.00 H new ATOM 1943 N LEU A 128 12.009 -0.164 -8.262 1.00 0.00 N ATOM 1944 CA LEU A 128 11.537 -0.863 -7.079 1.00 0.00 C ATOM 1945 C LEU A 128 12.123 -0.198 -5.832 1.00 0.00 C ATOM 1946 O LEU A 128 11.395 0.411 -5.049 1.00 0.00 O ATOM 1947 CB LEU A 128 11.845 -2.358 -7.181 1.00 0.00 C ATOM 1948 CG LEU A 128 11.912 -2.934 -8.597 1.00 0.00 C ATOM 1949 CD1 LEU A 128 12.032 -4.459 -8.564 1.00 0.00 C ATOM 1950 CD2 LEU A 128 10.719 -2.470 -9.434 1.00 0.00 C ATOM 0 H LEU A 128 12.487 -0.754 -8.944 1.00 0.00 H new ATOM 0 HA LEU A 128 10.452 -0.790 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 128 12.799 -2.547 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 128 11.084 -2.904 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 128 12.812 -2.552 -9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 128 12.078 -4.843 -9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 128 12.939 -4.741 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 128 11.165 -4.881 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 128 10.791 -2.893 -10.436 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.794 -2.803 -8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.721 -1.382 -9.499 1.00 0.00 H new ATOM 1962 N LYS A 129 13.432 -0.338 -5.686 1.00 0.00 N ATOM 1963 CA LYS A 129 14.124 0.242 -4.547 1.00 0.00 C ATOM 1964 C LYS A 129 14.330 1.739 -4.789 1.00 0.00 C ATOM 1965 O LYS A 129 15.438 2.250 -4.629 1.00 0.00 O ATOM 1966 CB LYS A 129 15.421 -0.519 -4.263 1.00 0.00 C ATOM 1967 CG LYS A 129 15.967 -0.173 -2.876 1.00 0.00 C ATOM 1968 CD LYS A 129 17.279 0.606 -2.983 1.00 0.00 C ATOM 1969 CE LYS A 129 17.262 1.835 -2.072 1.00 0.00 C ATOM 1970 NZ LYS A 129 17.756 3.026 -2.800 1.00 0.00 N ATOM 0 H LYS A 129 14.032 -0.844 -6.337 1.00 0.00 H new ATOM 0 HA LYS A 129 13.520 0.144 -3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 129 15.239 -1.592 -4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 129 16.164 -0.274 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 129 15.232 0.418 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 129 16.128 -1.088 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 129 18.113 -0.041 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 129 17.439 0.916 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.249 2.015 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.883 1.654 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.706 3.858 -2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 18.742 2.870 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.167 3.187 -3.642 1.00 0.00 H new TER 1984 LYS A 129