USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1018 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 105 GLN : amide:sc= -0.0796 X(o=0.47,f=0.24) USER MOD Set 1.2: A 109 SER OG : rot 84:sc= 0.552 USER MOD Set 2.1: A 59 MET CE :methyl -149:sc= -4.86! (180deg=-3.36!) USER MOD Set 2.2: A 88 MET CE :methyl 180:sc= -5.18! (180deg=-2.73) USER MOD Set 3.1: A 51 THR OG1 : rot 132:sc= 0.498 USER MOD Set 3.2: A 97 MET CE :methyl -158:sc= -0.0166 (180deg=-0.324) USER MOD Set 4.1: A 13 SER OG : rot 41:sc= 1.19 USER MOD Set 4.2: A 32 THR OG1 : rot -168:sc= 1.48 USER MOD Set 5.1: A 2 SER OG : rot -62:sc= 0.829 USER MOD Set 5.2: A 3 HIS : no HD1:sc= 1.56 K(o=2.4,f=-4.4!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.234 USER MOD Single : A 11 LYS NZ :NH3+ -111:sc= -0.279 (180deg=-1.59!) USER MOD Single : A 19 ASN : amide:sc= 0.0758 K(o=0.076,f=-2.4) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -57:sc= 0.107 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= -1.92! (180deg=-2.07!) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -4.05! C(o=-4.9!,f=-4.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -0.0894 (180deg=-0.364) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0681 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 135:sc= -7.72! (180deg=-13.4!) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0.0287 (180deg=0.0251) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.407) USER MOD Single : A 73 LYS NZ :NH3+ 134:sc= -0.178 (180deg=-0.99) USER MOD Single : A 75 ASN : amide:sc=-0.00014 X(o=-0.00014,f=-0.0046) USER MOD Single : A 78 ASN : amide:sc= -0.944 X(o=-0.94,f=-0.5) USER MOD Single : A 83 LYS NZ :NH3+ -129:sc= -0.0035 (180deg=-0.489) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 63:sc= 0.134 USER MOD Single : A 92 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.014) USER MOD Single : A 93 ASN : amide:sc=-0.00535 K(o=-0.0053,f=-1.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 99 ASN :FLIP amide:sc= -0.431 F(o=-1.3,f=-0.43) USER MOD Single : A 101 LYS NZ :NH3+ 144:sc= -2.35! (180deg=-4.09!) USER MOD Single : A 102 MET CE :methyl -170:sc= -4.36! (180deg=-4.62) USER MOD Single : A 103 THR OG1 : rot -140:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 111 TYR OH : rot 70:sc= 0.204 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.961 -6.049 9.161 1.00 0.00 N ATOM 2 CA PRO A 1 -12.959 -5.066 10.262 1.00 0.00 C ATOM 3 C PRO A 1 -11.748 -5.240 11.176 1.00 0.00 C ATOM 4 O PRO A 1 -11.609 -6.258 11.852 1.00 0.00 O ATOM 5 CB PRO A 1 -14.252 -5.279 11.038 1.00 0.00 C ATOM 6 CG PRO A 1 -15.103 -6.117 10.130 1.00 0.00 C ATOM 7 CD PRO A 1 -14.166 -6.890 9.223 1.00 0.00 C ATOM 0 H2 PRO A 1 -12.128 -6.634 9.219 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.924 -5.564 8.264 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.896 -4.053 9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -14.067 -5.784 11.986 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.736 -4.330 11.271 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.727 -6.798 10.708 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.774 -5.489 9.544 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.944 -7.878 9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.600 -7.040 8.234 1.00 0.00 H new ATOM 17 N SER A 2 -10.873 -4.238 11.189 1.00 0.00 N ATOM 18 CA SER A 2 -9.675 -4.279 12.018 1.00 0.00 C ATOM 19 C SER A 2 -8.786 -5.457 11.633 1.00 0.00 C ATOM 20 O SER A 2 -9.150 -6.615 11.835 1.00 0.00 O ATOM 21 CB SER A 2 -10.056 -4.375 13.498 1.00 0.00 C ATOM 22 OG SER A 2 -8.982 -3.970 14.328 1.00 0.00 O ATOM 0 H SER A 2 -10.972 -3.388 10.634 1.00 0.00 H new ATOM 0 HA SER A 2 -9.118 -3.357 11.852 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.927 -3.750 13.694 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.339 -5.400 13.738 1.00 0.00 H new ATOM 0 HG SER A 2 -8.219 -4.570 14.192 1.00 0.00 H new ATOM 28 N HIS A 3 -7.618 -5.152 11.076 1.00 0.00 N ATOM 29 CA HIS A 3 -6.674 -6.182 10.661 1.00 0.00 C ATOM 30 C HIS A 3 -7.277 -7.066 9.578 1.00 0.00 C ATOM 31 O HIS A 3 -6.974 -8.254 9.483 1.00 0.00 O ATOM 32 CB HIS A 3 -6.247 -7.024 11.863 1.00 0.00 C ATOM 33 CG HIS A 3 -5.721 -6.199 12.993 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.520 -5.715 14.006 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.471 -5.755 13.257 1.00 0.00 C ATOM 36 CE1 HIS A 3 -5.786 -5.008 14.845 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.537 -5.017 14.413 1.00 0.00 N ATOM 0 H HIS A 3 -7.303 -4.198 10.902 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.793 -5.692 10.246 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.098 -7.608 12.212 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.481 -7.733 11.550 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.586 -5.945 12.668 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.145 -4.508 15.732 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.750 -4.551 14.865 1.00 0.00 H new ATOM 46 N SER A 4 -8.120 -6.459 8.756 1.00 0.00 N ATOM 47 CA SER A 4 -8.771 -7.157 7.654 1.00 0.00 C ATOM 48 C SER A 4 -9.714 -6.224 6.914 1.00 0.00 C ATOM 49 O SER A 4 -10.101 -5.175 7.430 1.00 0.00 O ATOM 50 CB SER A 4 -9.541 -8.385 8.142 1.00 0.00 C ATOM 51 OG SER A 4 -10.521 -8.025 9.101 1.00 0.00 O ATOM 0 H SER A 4 -8.372 -5.474 8.832 1.00 0.00 H new ATOM 0 HA SER A 4 -7.987 -7.492 6.974 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.020 -8.878 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.847 -9.103 8.579 1.00 0.00 H new ATOM 0 HG SER A 4 -11.000 -8.827 9.396 1.00 0.00 H new ATOM 57 N GLY A 5 -10.083 -6.612 5.704 1.00 0.00 N ATOM 58 CA GLY A 5 -10.981 -5.803 4.911 1.00 0.00 C ATOM 59 C GLY A 5 -10.937 -6.157 3.448 1.00 0.00 C ATOM 60 O GLY A 5 -9.907 -6.004 2.789 1.00 0.00 O ATOM 0 H GLY A 5 -9.775 -7.475 5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.999 -5.927 5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.723 -4.751 5.035 1.00 0.00 H new ATOM 64 N ALA A 6 -12.061 -6.638 2.940 1.00 0.00 N ATOM 65 CA ALA A 6 -12.166 -7.026 1.544 1.00 0.00 C ATOM 66 C ALA A 6 -11.580 -5.957 0.626 1.00 0.00 C ATOM 67 O ALA A 6 -12.194 -4.917 0.388 1.00 0.00 O ATOM 68 CB ALA A 6 -13.609 -7.325 1.196 1.00 0.00 C ATOM 0 H ALA A 6 -12.917 -6.769 3.478 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.581 -7.933 1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.678 -7.615 0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.973 -8.139 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.216 -6.436 1.367 1.00 0.00 H new ATOM 74 N ALA A 7 -10.374 -6.222 0.133 1.00 0.00 N ATOM 75 CA ALA A 7 -9.674 -5.284 -0.742 1.00 0.00 C ATOM 76 C ALA A 7 -9.423 -5.875 -2.127 1.00 0.00 C ATOM 77 O ALA A 7 -9.280 -7.087 -2.278 1.00 0.00 O ATOM 78 CB ALA A 7 -8.350 -4.881 -0.108 1.00 0.00 C ATOM 0 H ALA A 7 -9.859 -7.081 0.325 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.310 -4.408 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.831 -4.182 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.537 -4.405 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.732 -5.767 0.039 1.00 0.00 H new ATOM 84 N ILE A 8 -9.347 -5.011 -3.136 1.00 0.00 N ATOM 85 CA ILE A 8 -9.087 -5.459 -4.500 1.00 0.00 C ATOM 86 C ILE A 8 -7.619 -5.281 -4.844 1.00 0.00 C ATOM 87 O ILE A 8 -7.073 -4.182 -4.751 1.00 0.00 O ATOM 88 CB ILE A 8 -9.966 -4.712 -5.533 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.312 -5.417 -5.669 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.287 -4.615 -6.895 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.474 -4.581 -5.210 1.00 0.00 C ATOM 0 H ILE A 8 -9.461 -4.002 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.345 -6.517 -4.548 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.117 -3.696 -5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.464 -5.695 -6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.289 -6.342 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.938 -4.084 -7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.346 -4.075 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.091 -5.617 -7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.399 -5.144 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.345 -4.324 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.522 -3.668 -5.803 1.00 0.00 H new ATOM 103 N PHE A 9 -6.988 -6.371 -5.245 1.00 0.00 N ATOM 104 CA PHE A 9 -5.574 -6.336 -5.607 1.00 0.00 C ATOM 105 C PHE A 9 -5.385 -6.580 -7.099 1.00 0.00 C ATOM 106 O PHE A 9 -5.926 -7.534 -7.655 1.00 0.00 O ATOM 107 CB PHE A 9 -4.785 -7.370 -4.805 1.00 0.00 C ATOM 108 CG PHE A 9 -3.299 -7.182 -4.889 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.726 -5.950 -4.612 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.472 -8.234 -5.249 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.358 -5.772 -4.691 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.104 -8.063 -5.331 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.546 -6.829 -5.051 1.00 0.00 C ATOM 0 H PHE A 9 -7.426 -7.288 -5.329 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.195 -5.342 -5.369 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.092 -7.320 -3.760 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.038 -8.368 -5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.357 -5.119 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.903 -9.200 -5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.925 -4.807 -4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.471 -8.891 -5.613 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.523 -6.692 -5.114 1.00 0.00 H new ATOM 123 N GLU A 10 -4.612 -5.711 -7.744 1.00 0.00 N ATOM 124 CA GLU A 10 -4.351 -5.835 -9.174 1.00 0.00 C ATOM 125 C GLU A 10 -5.654 -5.851 -9.960 1.00 0.00 C ATOM 126 O GLU A 10 -5.766 -6.544 -10.972 1.00 0.00 O ATOM 127 CB GLU A 10 -3.554 -7.108 -9.456 1.00 0.00 C ATOM 128 CG GLU A 10 -2.270 -7.211 -8.649 1.00 0.00 C ATOM 129 CD GLU A 10 -1.451 -8.437 -9.006 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.985 -9.326 -9.703 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.278 -8.509 -8.583 1.00 0.00 O ATOM 0 H GLU A 10 -4.156 -4.914 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.766 -4.972 -9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.180 -7.974 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.311 -7.147 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.669 -6.317 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.514 -7.239 -7.587 1.00 0.00 H new ATOM 138 N LYS A 11 -6.643 -5.101 -9.479 1.00 0.00 N ATOM 139 CA LYS A 11 -7.948 -5.046 -10.129 1.00 0.00 C ATOM 140 C LYS A 11 -8.740 -6.315 -9.833 1.00 0.00 C ATOM 141 O LYS A 11 -9.868 -6.477 -10.302 1.00 0.00 O ATOM 142 CB LYS A 11 -7.803 -4.854 -11.642 1.00 0.00 C ATOM 143 CG LYS A 11 -6.808 -3.772 -12.029 1.00 0.00 C ATOM 144 CD LYS A 11 -6.740 -3.587 -13.536 1.00 0.00 C ATOM 145 CE LYS A 11 -7.988 -2.901 -14.068 1.00 0.00 C ATOM 146 NZ LYS A 11 -9.023 -3.884 -14.498 1.00 0.00 N ATOM 0 H LYS A 11 -6.565 -4.524 -8.642 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.489 -4.189 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.493 -5.798 -12.091 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.777 -4.606 -12.063 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.092 -2.831 -11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.820 -4.033 -11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.861 -2.996 -13.792 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.623 -4.557 -14.018 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.402 -2.252 -13.296 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.720 -2.264 -14.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.121 -3.855 -15.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.737 -4.840 -14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.934 -3.644 -14.057 1.00 0.00 H new ATOM 160 N VAL A 12 -8.151 -7.206 -9.037 1.00 0.00 N ATOM 161 CA VAL A 12 -8.806 -8.442 -8.662 1.00 0.00 C ATOM 162 C VAL A 12 -9.375 -8.311 -7.270 1.00 0.00 C ATOM 163 O VAL A 12 -8.909 -7.503 -6.471 1.00 0.00 O ATOM 164 CB VAL A 12 -7.851 -9.647 -8.730 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.444 -10.865 -8.032 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.553 -9.961 -10.176 1.00 0.00 C ATOM 0 H VAL A 12 -7.218 -7.087 -8.642 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.609 -8.624 -9.376 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.927 -9.392 -8.211 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.745 -11.699 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.630 -10.629 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.382 -11.140 -8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.877 -10.814 -10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.481 -10.200 -10.695 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.086 -9.096 -10.647 1.00 0.00 H new ATOM 176 N SER A 13 -10.395 -9.087 -6.991 1.00 0.00 N ATOM 177 CA SER A 13 -11.035 -9.016 -5.688 1.00 0.00 C ATOM 178 C SER A 13 -10.507 -10.063 -4.718 1.00 0.00 C ATOM 179 O SER A 13 -10.096 -11.155 -5.110 1.00 0.00 O ATOM 180 CB SER A 13 -12.541 -9.143 -5.829 1.00 0.00 C ATOM 181 OG SER A 13 -12.904 -10.398 -6.379 1.00 0.00 O ATOM 0 H SER A 13 -10.799 -9.767 -7.634 1.00 0.00 H new ATOM 0 HA SER A 13 -10.791 -8.040 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.011 -9.022 -4.853 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.917 -8.342 -6.466 1.00 0.00 H new ATOM 0 HG SER A 13 -12.342 -11.100 -5.990 1.00 0.00 H new ATOM 187 N GLY A 14 -10.530 -9.698 -3.445 1.00 0.00 N ATOM 188 CA GLY A 14 -10.065 -10.566 -2.386 1.00 0.00 C ATOM 189 C GLY A 14 -10.086 -9.840 -1.063 1.00 0.00 C ATOM 190 O GLY A 14 -10.467 -8.672 -1.010 1.00 0.00 O ATOM 0 H GLY A 14 -10.872 -8.793 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.696 -11.453 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.053 -10.907 -2.605 1.00 0.00 H new ATOM 194 N ILE A 15 -9.681 -10.502 0.012 1.00 0.00 N ATOM 195 CA ILE A 15 -9.669 -9.847 1.309 1.00 0.00 C ATOM 196 C ILE A 15 -8.250 -9.534 1.734 1.00 0.00 C ATOM 197 O ILE A 15 -7.329 -10.318 1.511 1.00 0.00 O ATOM 198 CB ILE A 15 -10.376 -10.673 2.416 1.00 0.00 C ATOM 199 CG1 ILE A 15 -11.879 -10.852 2.129 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.200 -9.994 3.775 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.327 -10.450 0.740 1.00 0.00 C ATOM 0 H ILE A 15 -9.363 -11.471 0.013 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.233 -8.922 1.188 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.912 -11.659 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.140 -11.898 2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.443 -10.269 2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.700 -10.583 4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.138 -9.919 4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.636 -8.995 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.400 -10.615 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.106 -9.395 0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.798 -11.050 -0.001 1.00 0.00 H new ATOM 213 N ILE A 16 -8.089 -8.382 2.358 1.00 0.00 N ATOM 214 CA ILE A 16 -6.792 -7.952 2.830 1.00 0.00 C ATOM 215 C ILE A 16 -6.763 -8.081 4.343 1.00 0.00 C ATOM 216 O ILE A 16 -7.560 -7.460 5.041 1.00 0.00 O ATOM 217 CB ILE A 16 -6.501 -6.488 2.396 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.321 -6.441 1.423 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.235 -5.584 3.590 1.00 0.00 C ATOM 220 CD1 ILE A 16 -4.964 -5.037 0.979 1.00 0.00 C ATOM 0 H ILE A 16 -8.847 -7.726 2.549 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.016 -8.580 2.392 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.393 -6.116 1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.451 -6.897 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.559 -7.042 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.036 -4.570 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.107 -5.579 4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.371 -5.954 4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.120 -5.077 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.820 -4.585 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.695 -4.438 1.849 1.00 0.00 H new ATOM 232 N ALA A 17 -5.864 -8.913 4.841 1.00 0.00 N ATOM 233 CA ALA A 17 -5.763 -9.144 6.272 1.00 0.00 C ATOM 234 C ALA A 17 -4.374 -8.805 6.796 1.00 0.00 C ATOM 235 O ALA A 17 -3.364 -9.235 6.240 1.00 0.00 O ATOM 236 CB ALA A 17 -6.137 -10.583 6.587 1.00 0.00 C ATOM 0 H ALA A 17 -5.195 -9.438 4.278 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.463 -8.481 6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.060 -10.752 7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.160 -10.772 6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.459 -11.258 6.064 1.00 0.00 H new ATOM 242 N ILE A 18 -4.342 -8.022 7.867 1.00 0.00 N ATOM 243 CA ILE A 18 -3.089 -7.603 8.477 1.00 0.00 C ATOM 244 C ILE A 18 -2.784 -8.424 9.725 1.00 0.00 C ATOM 245 O ILE A 18 -3.631 -8.575 10.605 1.00 0.00 O ATOM 246 CB ILE A 18 -3.139 -6.103 8.837 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.259 -5.264 7.565 1.00 0.00 C ATOM 248 CG2 ILE A 18 -1.912 -5.690 9.639 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.706 -3.842 7.813 1.00 0.00 C ATOM 0 H ILE A 18 -5.176 -7.663 8.333 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.293 -7.770 7.751 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.016 -5.928 9.459 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.294 -5.249 7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.966 -5.745 6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.974 -4.628 9.879 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.869 -6.268 10.562 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.013 -5.877 9.051 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.768 -3.309 6.864 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.686 -3.847 8.291 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.987 -3.343 8.463 1.00 0.00 H new ATOM 261 N ASN A 19 -1.568 -8.955 9.790 1.00 0.00 N ATOM 262 CA ASN A 19 -1.145 -9.765 10.928 1.00 0.00 C ATOM 263 C ASN A 19 0.002 -9.098 11.678 1.00 0.00 C ATOM 264 O ASN A 19 1.118 -8.998 11.166 1.00 0.00 O ATOM 265 CB ASN A 19 -0.721 -11.157 10.458 1.00 0.00 C ATOM 266 CG ASN A 19 -0.568 -12.134 11.608 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.043 -11.886 12.716 1.00 0.00 O ATOM 268 ND2 ASN A 19 0.099 -13.252 11.348 1.00 0.00 N ATOM 0 H ASN A 19 -0.857 -8.839 9.068 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.991 -9.859 11.608 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.460 -11.541 9.755 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.224 -11.083 9.919 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.235 -13.947 12.082 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.476 -13.416 10.414 1.00 0.00 H new ATOM 275 N GLU A 20 -0.278 -8.646 12.895 1.00 0.00 N ATOM 276 CA GLU A 20 0.732 -7.994 13.720 1.00 0.00 C ATOM 277 C GLU A 20 1.481 -9.009 14.579 1.00 0.00 C ATOM 278 O GLU A 20 2.291 -8.638 15.429 1.00 0.00 O ATOM 279 CB GLU A 20 0.090 -6.929 14.609 1.00 0.00 C ATOM 280 CG GLU A 20 -0.607 -5.825 13.830 1.00 0.00 C ATOM 281 CD GLU A 20 -1.130 -4.719 14.727 1.00 0.00 C ATOM 282 OE1 GLU A 20 -2.146 -4.945 15.416 1.00 0.00 O ATOM 283 OE2 GLU A 20 -0.522 -3.628 14.740 1.00 0.00 O ATOM 0 H GLU A 20 -1.197 -8.719 13.332 1.00 0.00 H new ATOM 0 HA GLU A 20 1.449 -7.515 13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.632 -7.407 15.270 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.858 -6.486 15.243 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.089 -5.402 13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.436 -6.252 13.265 1.00 0.00 H new ATOM 290 N ASP A 21 1.217 -10.293 14.347 1.00 0.00 N ATOM 291 CA ASP A 21 1.877 -11.355 15.091 1.00 0.00 C ATOM 292 C ASP A 21 3.280 -11.592 14.546 1.00 0.00 C ATOM 293 O ASP A 21 4.125 -12.187 15.215 1.00 0.00 O ATOM 294 CB ASP A 21 1.061 -12.644 15.010 1.00 0.00 C ATOM 295 CG ASP A 21 1.607 -13.732 15.914 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.253 -13.741 17.111 1.00 0.00 O ATOM 297 OD2 ASP A 21 2.388 -14.574 15.425 1.00 0.00 O ATOM 0 H ASP A 21 0.550 -10.620 13.648 1.00 0.00 H new ATOM 0 HA ASP A 21 1.953 -11.050 16.135 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.027 -12.434 15.283 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.053 -13.001 13.980 1.00 0.00 H new ATOM 302 N VAL A 22 3.520 -11.121 13.324 1.00 0.00 N ATOM 303 CA VAL A 22 4.821 -11.283 12.689 1.00 0.00 C ATOM 304 C VAL A 22 5.642 -10.006 12.800 1.00 0.00 C ATOM 305 O VAL A 22 5.105 -8.920 13.020 1.00 0.00 O ATOM 306 CB VAL A 22 4.688 -11.701 11.202 1.00 0.00 C ATOM 307 CG1 VAL A 22 3.496 -11.018 10.546 1.00 0.00 C ATOM 308 CG2 VAL A 22 5.964 -11.417 10.413 1.00 0.00 C ATOM 0 H VAL A 22 2.831 -10.626 12.757 1.00 0.00 H new ATOM 0 HA VAL A 22 5.338 -12.083 13.219 1.00 0.00 H new ATOM 0 HB VAL A 22 4.523 -12.778 11.188 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.427 -11.329 9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.582 -11.298 11.070 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.624 -9.937 10.594 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.827 -11.725 9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.184 -10.350 10.448 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.793 -11.973 10.850 1.00 0.00 H new ATOM 318 N SER A 23 6.949 -10.153 12.645 1.00 0.00 N ATOM 319 CA SER A 23 7.863 -9.021 12.724 1.00 0.00 C ATOM 320 C SER A 23 8.824 -9.007 11.534 1.00 0.00 C ATOM 321 O SER A 23 9.620 -9.931 11.362 1.00 0.00 O ATOM 322 CB SER A 23 8.649 -9.071 14.036 1.00 0.00 C ATOM 323 OG SER A 23 9.891 -8.398 13.920 1.00 0.00 O ATOM 0 H SER A 23 7.403 -11.048 12.463 1.00 0.00 H new ATOM 0 HA SER A 23 7.274 -8.104 12.695 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.060 -8.616 14.832 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.821 -10.109 14.320 1.00 0.00 H new ATOM 0 HG SER A 23 10.370 -8.445 14.774 1.00 0.00 H new ATOM 329 N PRO A 24 8.766 -7.957 10.689 1.00 0.00 N ATOM 330 CA PRO A 24 7.834 -6.839 10.856 1.00 0.00 C ATOM 331 C PRO A 24 6.420 -7.199 10.420 1.00 0.00 C ATOM 332 O PRO A 24 6.230 -7.989 9.496 1.00 0.00 O ATOM 333 CB PRO A 24 8.414 -5.765 9.941 1.00 0.00 C ATOM 334 CG PRO A 24 9.096 -6.526 8.859 1.00 0.00 C ATOM 335 CD PRO A 24 9.618 -7.787 9.495 1.00 0.00 C ATOM 0 HA PRO A 24 7.743 -6.531 11.898 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.632 -5.120 9.540 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.113 -5.123 10.476 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.403 -6.757 8.050 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.909 -5.943 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.536 -8.639 8.820 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.670 -7.694 9.764 1.00 0.00 H new ATOM 343 N ALA A 25 5.429 -6.613 11.086 1.00 0.00 N ATOM 344 CA ALA A 25 4.029 -6.872 10.758 1.00 0.00 C ATOM 345 C ALA A 25 3.801 -6.779 9.252 1.00 0.00 C ATOM 346 O ALA A 25 4.318 -5.875 8.594 1.00 0.00 O ATOM 347 CB ALA A 25 3.123 -5.897 11.494 1.00 0.00 C ATOM 0 H ALA A 25 5.568 -5.957 11.855 1.00 0.00 H new ATOM 0 HA ALA A 25 3.784 -7.884 11.079 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.083 -6.103 11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.263 -6.011 12.569 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.373 -4.877 11.202 1.00 0.00 H new ATOM 353 N GLU A 26 3.043 -7.723 8.706 1.00 0.00 N ATOM 354 CA GLU A 26 2.774 -7.742 7.274 1.00 0.00 C ATOM 355 C GLU A 26 1.281 -7.836 6.983 1.00 0.00 C ATOM 356 O GLU A 26 0.476 -8.135 7.866 1.00 0.00 O ATOM 357 CB GLU A 26 3.503 -8.914 6.617 1.00 0.00 C ATOM 358 CG GLU A 26 4.979 -8.988 6.973 1.00 0.00 C ATOM 359 CD GLU A 26 5.718 -10.048 6.178 1.00 0.00 C ATOM 360 OE1 GLU A 26 5.581 -11.243 6.511 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.433 -9.681 5.221 1.00 0.00 O ATOM 0 H GLU A 26 2.606 -8.481 9.230 1.00 0.00 H new ATOM 0 HA GLU A 26 3.140 -6.804 6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.019 -9.845 6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.402 -8.833 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.441 -8.017 6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.082 -9.199 8.037 1.00 0.00 H new ATOM 368 N LEU A 27 0.925 -7.588 5.728 1.00 0.00 N ATOM 369 CA LEU A 27 -0.462 -7.649 5.285 1.00 0.00 C ATOM 370 C LEU A 27 -0.603 -8.673 4.164 1.00 0.00 C ATOM 371 O LEU A 27 0.200 -8.694 3.230 1.00 0.00 O ATOM 372 CB LEU A 27 -0.924 -6.270 4.808 1.00 0.00 C ATOM 373 CG LEU A 27 -2.275 -6.246 4.089 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.955 -4.899 4.280 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.094 -6.551 2.610 1.00 0.00 C ATOM 0 H LEU A 27 1.586 -7.340 4.992 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.090 -7.955 6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.978 -5.605 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.167 -5.863 4.138 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.913 -7.016 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.914 -4.899 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.116 -4.720 5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.322 -4.111 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.064 -6.530 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.440 -5.803 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.648 -7.539 2.494 1.00 0.00 H new ATOM 387 N THR A 28 -1.610 -9.533 4.266 1.00 0.00 N ATOM 388 CA THR A 28 -1.821 -10.565 3.258 1.00 0.00 C ATOM 389 C THR A 28 -3.182 -10.434 2.581 1.00 0.00 C ATOM 390 O THR A 28 -4.220 -10.391 3.241 1.00 0.00 O ATOM 391 CB THR A 28 -1.694 -11.950 3.893 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.449 -12.087 4.555 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.807 -13.080 2.892 1.00 0.00 C ATOM 0 H THR A 28 -2.287 -9.537 5.029 1.00 0.00 H new ATOM 0 HA THR A 28 -1.055 -10.436 2.493 1.00 0.00 H new ATOM 0 HB THR A 28 -2.525 -12.022 4.595 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.388 -12.979 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.708 -14.035 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.778 -13.033 2.398 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.017 -12.987 2.147 1.00 0.00 H new ATOM 401 N TRP A 29 -3.159 -10.389 1.252 1.00 0.00 N ATOM 402 CA TRP A 29 -4.365 -10.285 0.458 1.00 0.00 C ATOM 403 C TRP A 29 -4.741 -11.654 -0.095 1.00 0.00 C ATOM 404 O TRP A 29 -3.905 -12.348 -0.669 1.00 0.00 O ATOM 405 CB TRP A 29 -4.146 -9.310 -0.699 1.00 0.00 C ATOM 406 CG TRP A 29 -5.317 -9.224 -1.622 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.513 -8.642 -1.349 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.412 -9.744 -2.953 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.352 -8.752 -2.432 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.697 -9.427 -3.431 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.534 -10.440 -3.790 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.126 -9.785 -4.706 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.962 -10.796 -5.054 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.247 -10.467 -5.503 1.00 0.00 C ATOM 0 H TRP A 29 -2.301 -10.424 0.702 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.173 -9.917 1.091 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.935 -8.319 -0.296 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.267 -9.618 -1.265 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.768 -8.162 -0.416 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.305 -8.391 -2.484 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.540 -10.694 -3.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.117 -9.534 -5.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.294 -11.338 -5.707 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.550 -10.757 -6.498 1.00 0.00 H new ATOM 425 N ARG A 30 -5.997 -12.037 0.081 1.00 0.00 N ATOM 426 CA ARG A 30 -6.467 -13.329 -0.405 1.00 0.00 C ATOM 427 C ARG A 30 -7.683 -13.156 -1.307 1.00 0.00 C ATOM 428 O ARG A 30 -8.741 -12.717 -0.861 1.00 0.00 O ATOM 429 CB ARG A 30 -6.806 -14.248 0.766 1.00 0.00 C ATOM 430 CG ARG A 30 -7.072 -15.688 0.354 1.00 0.00 C ATOM 431 CD ARG A 30 -5.786 -16.497 0.304 1.00 0.00 C ATOM 432 NE ARG A 30 -6.006 -17.844 -0.219 1.00 0.00 N ATOM 433 CZ ARG A 30 -6.069 -18.136 -1.517 1.00 0.00 C ATOM 434 NH1 ARG A 30 -5.938 -17.179 -2.427 1.00 0.00 N ATOM 435 NH2 ARG A 30 -6.265 -19.388 -1.905 1.00 0.00 N ATOM 0 H ARG A 30 -6.706 -11.477 0.554 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.667 -13.785 -0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.984 -14.230 1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.684 -13.858 1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.765 -16.147 1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.553 -15.705 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.057 -15.980 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.360 -16.562 1.305 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.118 -18.606 0.450 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.788 -16.214 -2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.987 -17.409 -3.420 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.368 -20.127 -1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.313 -19.612 -2.899 1.00 0.00 H new ATOM 449 N SER A 31 -7.522 -13.502 -2.582 1.00 0.00 N ATOM 450 CA SER A 31 -8.605 -13.385 -3.556 1.00 0.00 C ATOM 451 C SER A 31 -9.913 -13.931 -2.990 1.00 0.00 C ATOM 452 O SER A 31 -9.919 -14.630 -1.977 1.00 0.00 O ATOM 453 CB SER A 31 -8.244 -14.133 -4.841 1.00 0.00 C ATOM 454 OG SER A 31 -8.264 -15.535 -4.638 1.00 0.00 O ATOM 0 H SER A 31 -6.650 -13.867 -2.966 1.00 0.00 H new ATOM 0 HA SER A 31 -8.742 -12.327 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.947 -13.867 -5.630 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.254 -13.825 -5.179 1.00 0.00 H new ATOM 0 HG SER A 31 -7.649 -15.769 -3.912 1.00 0.00 H new ATOM 460 N THR A 32 -11.020 -13.611 -3.652 1.00 0.00 N ATOM 461 CA THR A 32 -12.326 -14.076 -3.218 1.00 0.00 C ATOM 462 C THR A 32 -12.485 -15.546 -3.553 1.00 0.00 C ATOM 463 O THR A 32 -12.992 -16.336 -2.756 1.00 0.00 O ATOM 464 CB THR A 32 -13.431 -13.259 -3.889 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.881 -12.252 -4.720 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.356 -12.582 -2.904 1.00 0.00 C ATOM 0 H THR A 32 -11.035 -13.031 -4.491 1.00 0.00 H new ATOM 0 HA THR A 32 -12.407 -13.946 -2.139 1.00 0.00 H new ATOM 0 HB THR A 32 -14.006 -13.979 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.586 -11.625 -4.985 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.116 -12.020 -3.446 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.838 -13.335 -2.280 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.782 -11.902 -2.274 1.00 0.00 H new ATOM 474 N ASP A 33 -12.040 -15.896 -4.746 1.00 0.00 N ATOM 475 CA ASP A 33 -12.112 -17.263 -5.222 1.00 0.00 C ATOM 476 C ASP A 33 -11.002 -18.115 -4.615 1.00 0.00 C ATOM 477 O ASP A 33 -11.112 -19.340 -4.546 1.00 0.00 O ATOM 478 CB ASP A 33 -12.027 -17.303 -6.749 1.00 0.00 C ATOM 479 CG ASP A 33 -13.219 -16.640 -7.413 1.00 0.00 C ATOM 480 OD1 ASP A 33 -14.239 -16.428 -6.725 1.00 0.00 O ATOM 481 OD2 ASP A 33 -13.132 -16.335 -8.621 1.00 0.00 O ATOM 0 H ASP A 33 -11.621 -15.243 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.071 -17.676 -4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.112 -16.806 -7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.961 -18.340 -7.079 1.00 0.00 H new ATOM 486 N GLY A 34 -9.931 -17.460 -4.178 1.00 0.00 N ATOM 487 CA GLY A 34 -8.815 -18.171 -3.584 1.00 0.00 C ATOM 488 C GLY A 34 -7.796 -18.611 -4.616 1.00 0.00 C ATOM 489 O GLY A 34 -7.174 -19.662 -4.472 1.00 0.00 O ATOM 0 H GLY A 34 -9.817 -16.448 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.329 -17.530 -2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.187 -19.045 -3.049 1.00 0.00 H new ATOM 493 N ASP A 35 -7.630 -17.807 -5.661 1.00 0.00 N ATOM 494 CA ASP A 35 -6.682 -18.122 -6.724 1.00 0.00 C ATOM 495 C ASP A 35 -5.499 -17.155 -6.727 1.00 0.00 C ATOM 496 O ASP A 35 -4.452 -17.449 -7.303 1.00 0.00 O ATOM 497 CB ASP A 35 -7.382 -18.090 -8.084 1.00 0.00 C ATOM 498 CG ASP A 35 -6.475 -18.543 -9.211 1.00 0.00 C ATOM 499 OD1 ASP A 35 -6.370 -19.768 -9.433 1.00 0.00 O ATOM 500 OD2 ASP A 35 -5.871 -17.673 -9.873 1.00 0.00 O ATOM 0 H ASP A 35 -8.139 -16.933 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.298 -19.125 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.264 -18.730 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.731 -17.077 -8.286 1.00 0.00 H new ATOM 505 N LYS A 36 -5.667 -16.004 -6.084 1.00 0.00 N ATOM 506 CA LYS A 36 -4.604 -15.004 -6.025 1.00 0.00 C ATOM 507 C LYS A 36 -4.343 -14.561 -4.589 1.00 0.00 C ATOM 508 O LYS A 36 -5.274 -14.284 -3.834 1.00 0.00 O ATOM 509 CB LYS A 36 -4.969 -13.788 -6.879 1.00 0.00 C ATOM 510 CG LYS A 36 -5.593 -14.145 -8.219 1.00 0.00 C ATOM 511 CD LYS A 36 -4.930 -13.397 -9.367 1.00 0.00 C ATOM 512 CE LYS A 36 -4.951 -11.893 -9.145 1.00 0.00 C ATOM 513 NZ LYS A 36 -4.707 -11.143 -10.408 1.00 0.00 N ATOM 0 H LYS A 36 -6.524 -15.740 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.696 -15.462 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.663 -13.159 -6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.071 -13.195 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.506 -15.219 -8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.657 -13.911 -8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.899 -13.735 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.442 -13.634 -10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.915 -11.601 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.192 -11.624 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.928 -10.137 -10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.709 -11.242 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.314 -11.525 -11.161 1.00 0.00 H new ATOM 527 N VAL A 37 -3.066 -14.489 -4.222 1.00 0.00 N ATOM 528 CA VAL A 37 -2.680 -14.072 -2.880 1.00 0.00 C ATOM 529 C VAL A 37 -1.462 -13.151 -2.921 1.00 0.00 C ATOM 530 O VAL A 37 -0.550 -13.350 -3.724 1.00 0.00 O ATOM 531 CB VAL A 37 -2.378 -15.284 -1.974 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.131 -16.018 -2.448 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.233 -14.843 -0.526 1.00 0.00 C ATOM 0 H VAL A 37 -2.283 -14.714 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.526 -13.527 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.217 -15.977 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.939 -16.868 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.283 -16.372 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.278 -15.340 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.020 -15.710 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.415 -14.127 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.160 -14.375 -0.194 1.00 0.00 H new ATOM 543 N HIS A 38 -1.455 -12.140 -2.058 1.00 0.00 N ATOM 544 CA HIS A 38 -0.350 -11.187 -2.002 1.00 0.00 C ATOM 545 C HIS A 38 0.029 -10.864 -0.563 1.00 0.00 C ATOM 546 O HIS A 38 -0.820 -10.826 0.324 1.00 0.00 O ATOM 547 CB HIS A 38 -0.707 -9.897 -2.734 1.00 0.00 C ATOM 548 CG HIS A 38 0.465 -8.991 -2.957 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.726 -7.749 -2.485 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.540 -9.332 -3.750 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 1.943 -7.367 -2.996 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.413 -8.339 -3.755 1.00 0.00 N flip ATOM 0 H HIS A 38 -2.202 -11.959 -1.387 1.00 0.00 H new ATOM 0 HA HIS A 38 0.504 -11.653 -2.493 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.151 -10.147 -3.698 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.465 -9.362 -2.162 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.652 -10.264 -4.284 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.435 -6.424 -2.807 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.299 -8.326 -4.260 1.00 0.00 H new ATOM 561 N THR A 39 1.315 -10.634 -0.344 1.00 0.00 N ATOM 562 CA THR A 39 1.823 -10.311 0.986 1.00 0.00 C ATOM 563 C THR A 39 2.660 -9.035 0.956 1.00 0.00 C ATOM 564 O THR A 39 3.497 -8.852 0.072 1.00 0.00 O ATOM 565 CB THR A 39 2.659 -11.470 1.529 1.00 0.00 C ATOM 566 OG1 THR A 39 1.923 -12.680 1.491 1.00 0.00 O ATOM 567 CG2 THR A 39 3.120 -11.259 2.955 1.00 0.00 C ATOM 0 H THR A 39 2.030 -10.665 -1.071 1.00 0.00 H new ATOM 0 HA THR A 39 0.969 -10.147 1.644 1.00 0.00 H new ATOM 0 HB THR A 39 3.536 -11.520 0.884 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.475 -13.410 1.841 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.708 -12.118 3.278 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.732 -10.359 3.010 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.252 -11.148 3.605 1.00 0.00 H new ATOM 575 N VAL A 40 2.431 -8.155 1.928 1.00 0.00 N ATOM 576 CA VAL A 40 3.167 -6.898 2.010 1.00 0.00 C ATOM 577 C VAL A 40 3.722 -6.665 3.409 1.00 0.00 C ATOM 578 O VAL A 40 3.054 -6.929 4.408 1.00 0.00 O ATOM 579 CB VAL A 40 2.287 -5.686 1.641 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.063 -4.384 1.828 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.771 -5.806 0.216 1.00 0.00 C ATOM 0 H VAL A 40 1.742 -8.290 2.668 1.00 0.00 H new ATOM 0 HA VAL A 40 3.984 -6.987 1.294 1.00 0.00 H new ATOM 0 HB VAL A 40 1.427 -5.672 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.426 -3.540 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.373 -4.292 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.944 -4.390 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.153 -4.940 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.614 -5.850 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.176 -6.714 0.120 1.00 0.00 H new ATOM 591 N VAL A 41 4.935 -6.134 3.465 1.00 0.00 N ATOM 592 CA VAL A 41 5.570 -5.822 4.735 1.00 0.00 C ATOM 593 C VAL A 41 5.138 -4.426 5.179 1.00 0.00 C ATOM 594 O VAL A 41 5.381 -3.441 4.484 1.00 0.00 O ATOM 595 CB VAL A 41 7.112 -5.906 4.631 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.598 -5.301 3.325 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.792 -5.262 5.836 1.00 0.00 C ATOM 0 H VAL A 41 5.498 -5.911 2.645 1.00 0.00 H new ATOM 0 HA VAL A 41 5.255 -6.557 5.476 1.00 0.00 H new ATOM 0 HB VAL A 41 7.390 -6.960 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.685 -5.371 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.159 -5.843 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.299 -4.254 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.874 -5.340 5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.508 -4.211 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.480 -5.774 6.746 1.00 0.00 H new ATOM 607 N LEU A 42 4.468 -4.355 6.323 1.00 0.00 N ATOM 608 CA LEU A 42 3.968 -3.086 6.840 1.00 0.00 C ATOM 609 C LEU A 42 5.094 -2.183 7.337 1.00 0.00 C ATOM 610 O LEU A 42 4.989 -0.958 7.272 1.00 0.00 O ATOM 611 CB LEU A 42 2.962 -3.334 7.966 1.00 0.00 C ATOM 612 CG LEU A 42 1.767 -4.207 7.582 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.782 -4.305 8.737 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.082 -3.656 6.339 1.00 0.00 C ATOM 0 H LEU A 42 4.258 -5.162 6.911 1.00 0.00 H new ATOM 0 HA LEU A 42 3.475 -2.572 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.482 -3.803 8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.592 -2.372 8.321 1.00 0.00 H new ATOM 0 HG LEU A 42 2.132 -5.209 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.061 -4.930 8.444 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.278 -4.746 9.602 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.423 -3.309 8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.234 -4.290 6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.731 -2.643 6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.790 -3.641 5.510 1.00 0.00 H new ATOM 626 N SER A 43 6.166 -2.787 7.838 1.00 0.00 N ATOM 627 CA SER A 43 7.303 -2.022 8.352 1.00 0.00 C ATOM 628 C SER A 43 7.805 -1.008 7.328 1.00 0.00 C ATOM 629 O SER A 43 8.428 -0.009 7.685 1.00 0.00 O ATOM 630 CB SER A 43 8.439 -2.964 8.758 1.00 0.00 C ATOM 631 OG SER A 43 9.696 -2.311 8.699 1.00 0.00 O ATOM 0 H SER A 43 6.274 -3.799 7.900 1.00 0.00 H new ATOM 0 HA SER A 43 6.962 -1.473 9.230 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.265 -3.332 9.769 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.447 -3.833 8.100 1.00 0.00 H new ATOM 0 HG SER A 43 10.402 -2.936 8.965 1.00 0.00 H new ATOM 637 N THR A 44 7.533 -1.270 6.056 1.00 0.00 N ATOM 638 CA THR A 44 7.964 -0.375 4.985 1.00 0.00 C ATOM 639 C THR A 44 6.949 0.736 4.758 1.00 0.00 C ATOM 640 O THR A 44 7.291 1.814 4.273 1.00 0.00 O ATOM 641 CB THR A 44 8.182 -1.151 3.679 1.00 0.00 C ATOM 642 OG1 THR A 44 7.054 -1.046 2.829 1.00 0.00 O ATOM 643 CG2 THR A 44 8.455 -2.621 3.889 1.00 0.00 C ATOM 0 H THR A 44 7.018 -2.091 5.739 1.00 0.00 H new ATOM 0 HA THR A 44 8.909 0.073 5.293 1.00 0.00 H new ATOM 0 HB THR A 44 9.062 -0.694 3.226 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.219 -1.548 2.003 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.599 -3.106 2.923 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.354 -2.741 4.493 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.609 -3.078 4.402 1.00 0.00 H new ATOM 651 N ILE A 45 5.697 0.467 5.101 1.00 0.00 N ATOM 652 CA ILE A 45 4.634 1.445 4.925 1.00 0.00 C ATOM 653 C ILE A 45 5.031 2.799 5.506 1.00 0.00 C ATOM 654 O ILE A 45 4.941 3.023 6.714 1.00 0.00 O ATOM 655 CB ILE A 45 3.316 0.966 5.567 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.824 -0.295 4.859 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.254 2.059 5.507 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.572 -0.093 3.382 1.00 0.00 C ATOM 0 H ILE A 45 5.393 -0.420 5.503 1.00 0.00 H new ATOM 0 HA ILE A 45 4.475 1.556 3.852 1.00 0.00 H new ATOM 0 HB ILE A 45 3.503 0.736 6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.561 -1.087 4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.904 -0.634 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.334 1.698 5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.607 2.939 6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.062 2.323 4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.225 -1.027 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.813 0.677 3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.496 0.217 2.894 1.00 0.00 H new ATOM 670 N ASP A 46 5.480 3.694 4.633 1.00 0.00 N ATOM 671 CA ASP A 46 5.905 5.023 5.047 1.00 0.00 C ATOM 672 C ASP A 46 4.772 6.040 4.921 1.00 0.00 C ATOM 673 O ASP A 46 4.807 7.092 5.560 1.00 0.00 O ATOM 674 CB ASP A 46 7.102 5.479 4.210 1.00 0.00 C ATOM 675 CG ASP A 46 7.710 6.770 4.723 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.397 7.161 5.868 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.502 7.388 3.981 1.00 0.00 O ATOM 0 H ASP A 46 5.559 3.521 3.631 1.00 0.00 H new ATOM 0 HA ASP A 46 6.194 4.965 6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.862 4.697 4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.787 5.615 3.175 1.00 0.00 H new ATOM 682 N LYS A 47 3.770 5.735 4.098 1.00 0.00 N ATOM 683 CA LYS A 47 2.651 6.652 3.911 1.00 0.00 C ATOM 684 C LYS A 47 1.407 5.918 3.428 1.00 0.00 C ATOM 685 O LYS A 47 1.481 5.051 2.558 1.00 0.00 O ATOM 686 CB LYS A 47 3.025 7.752 2.915 1.00 0.00 C ATOM 687 CG LYS A 47 4.177 8.627 3.379 1.00 0.00 C ATOM 688 CD LYS A 47 4.417 9.785 2.424 1.00 0.00 C ATOM 689 CE LYS A 47 5.640 10.593 2.824 1.00 0.00 C ATOM 690 NZ LYS A 47 5.633 10.933 4.273 1.00 0.00 N ATOM 0 H LYS A 47 3.711 4.872 3.558 1.00 0.00 H new ATOM 0 HA LYS A 47 2.427 7.103 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.289 7.293 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.152 8.380 2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.963 9.014 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.083 8.026 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.548 9.402 1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.541 10.433 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.541 10.027 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.677 11.510 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.353 11.659 4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.696 11.297 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.845 10.081 4.831 1.00 0.00 H new ATOM 704 N LEU A 48 0.263 6.282 3.995 1.00 0.00 N ATOM 705 CA LEU A 48 -1.006 5.672 3.620 1.00 0.00 C ATOM 706 C LEU A 48 -1.868 6.661 2.847 1.00 0.00 C ATOM 707 O LEU A 48 -2.154 7.757 3.326 1.00 0.00 O ATOM 708 CB LEU A 48 -1.755 5.190 4.861 1.00 0.00 C ATOM 709 CG LEU A 48 -1.183 3.934 5.519 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.968 3.587 6.773 1.00 0.00 C ATOM 711 CD2 LEU A 48 -1.194 2.770 4.540 1.00 0.00 C ATOM 0 H LEU A 48 0.189 6.998 4.718 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.795 4.815 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.763 5.995 5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.792 4.997 4.588 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.150 4.132 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.548 2.691 7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.910 4.415 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.011 3.406 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.784 1.884 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.218 2.570 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.588 3.021 3.669 1.00 0.00 H new ATOM 723 N GLN A 49 -2.280 6.265 1.651 1.00 0.00 N ATOM 724 CA GLN A 49 -3.114 7.115 0.811 1.00 0.00 C ATOM 725 C GLN A 49 -4.527 6.555 0.720 1.00 0.00 C ATOM 726 O GLN A 49 -4.719 5.369 0.455 1.00 0.00 O ATOM 727 CB GLN A 49 -2.510 7.241 -0.589 1.00 0.00 C ATOM 728 CG GLN A 49 -2.660 8.628 -1.192 1.00 0.00 C ATOM 729 CD GLN A 49 -1.629 9.607 -0.667 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.430 9.450 -0.903 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.089 10.625 0.049 1.00 0.00 N ATOM 0 H GLN A 49 -2.051 5.360 1.240 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.159 8.105 1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.451 6.986 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.985 6.514 -1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.572 8.560 -2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.659 9.008 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.090 10.717 0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.441 11.316 0.428 1.00 0.00 H new ATOM 740 N ALA A 50 -5.515 7.412 0.944 1.00 0.00 N ATOM 741 CA ALA A 50 -6.909 6.995 0.888 1.00 0.00 C ATOM 742 C ALA A 50 -7.781 8.073 0.260 1.00 0.00 C ATOM 743 O ALA A 50 -7.592 9.264 0.508 1.00 0.00 O ATOM 744 CB ALA A 50 -7.410 6.652 2.282 1.00 0.00 C ATOM 0 H ALA A 50 -5.377 8.398 1.166 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.973 6.106 0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.453 6.342 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.811 5.840 2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.325 7.528 2.925 1.00 0.00 H new ATOM 750 N THR A 51 -8.740 7.645 -0.551 1.00 0.00 N ATOM 751 CA THR A 51 -9.648 8.574 -1.213 1.00 0.00 C ATOM 752 C THR A 51 -10.689 9.102 -0.225 1.00 0.00 C ATOM 753 O THR A 51 -11.402 8.323 0.410 1.00 0.00 O ATOM 754 CB THR A 51 -10.342 7.888 -2.391 1.00 0.00 C ATOM 755 OG1 THR A 51 -11.161 6.823 -1.939 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.377 7.324 -3.411 1.00 0.00 C ATOM 0 H THR A 51 -8.909 6.662 -0.766 1.00 0.00 H new ATOM 0 HA THR A 51 -9.066 9.416 -1.588 1.00 0.00 H new ATOM 0 HB THR A 51 -10.935 8.668 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.047 6.894 -2.352 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.936 6.852 -4.219 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.764 8.129 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.735 6.584 -2.934 1.00 0.00 H new ATOM 764 N PRO A 52 -10.790 10.437 -0.073 1.00 0.00 N ATOM 765 CA PRO A 52 -11.747 11.057 0.851 1.00 0.00 C ATOM 766 C PRO A 52 -13.195 10.735 0.498 1.00 0.00 C ATOM 767 O PRO A 52 -13.499 10.349 -0.631 1.00 0.00 O ATOM 768 CB PRO A 52 -11.482 12.561 0.701 1.00 0.00 C ATOM 769 CG PRO A 52 -10.780 12.703 -0.605 1.00 0.00 C ATOM 770 CD PRO A 52 -9.981 11.443 -0.781 1.00 0.00 C ATOM 0 HA PRO A 52 -11.614 10.689 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.413 13.128 0.712 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.870 12.937 1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.493 12.831 -1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.133 13.580 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.853 11.190 -1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.983 11.534 -0.351 1.00 0.00 H new ATOM 778 N ALA A 53 -14.086 10.898 1.472 1.00 0.00 N ATOM 779 CA ALA A 53 -15.503 10.624 1.267 1.00 0.00 C ATOM 780 C ALA A 53 -16.081 11.513 0.171 1.00 0.00 C ATOM 781 O ALA A 53 -16.841 11.051 -0.679 1.00 0.00 O ATOM 782 CB ALA A 53 -16.270 10.821 2.567 1.00 0.00 C ATOM 0 H ALA A 53 -13.851 11.219 2.411 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.606 9.586 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.327 10.613 2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.881 10.141 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.151 11.850 2.907 1.00 0.00 H new ATOM 788 N SER A 54 -15.712 12.790 0.193 1.00 0.00 N ATOM 789 CA SER A 54 -16.192 13.740 -0.804 1.00 0.00 C ATOM 790 C SER A 54 -15.772 13.307 -2.203 1.00 0.00 C ATOM 791 O SER A 54 -16.437 13.620 -3.191 1.00 0.00 O ATOM 792 CB SER A 54 -15.660 15.141 -0.506 1.00 0.00 C ATOM 793 OG SER A 54 -14.258 15.208 -0.698 1.00 0.00 O ATOM 0 H SER A 54 -15.083 13.190 0.889 1.00 0.00 H new ATOM 0 HA SER A 54 -17.281 13.761 -0.759 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.153 15.866 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.903 15.414 0.521 1.00 0.00 H new ATOM 0 HG SER A 54 -13.944 16.115 -0.502 1.00 0.00 H new ATOM 799 N SER A 55 -14.663 12.585 -2.276 1.00 0.00 N ATOM 800 CA SER A 55 -14.141 12.100 -3.542 1.00 0.00 C ATOM 801 C SER A 55 -14.868 10.839 -3.978 1.00 0.00 C ATOM 802 O SER A 55 -14.843 9.822 -3.284 1.00 0.00 O ATOM 803 CB SER A 55 -12.641 11.822 -3.426 1.00 0.00 C ATOM 804 OG SER A 55 -12.150 11.180 -4.591 1.00 0.00 O ATOM 0 H SER A 55 -14.104 12.321 -1.464 1.00 0.00 H new ATOM 0 HA SER A 55 -14.303 12.872 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.105 12.758 -3.270 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.450 11.196 -2.554 1.00 0.00 H new ATOM 0 HG SER A 55 -11.189 11.015 -4.493 1.00 0.00 H new ATOM 810 N GLU A 56 -15.505 10.905 -5.142 1.00 0.00 N ATOM 811 CA GLU A 56 -16.226 9.761 -5.681 1.00 0.00 C ATOM 812 C GLU A 56 -15.300 8.554 -5.793 1.00 0.00 C ATOM 813 O GLU A 56 -15.755 7.413 -5.887 1.00 0.00 O ATOM 814 CB GLU A 56 -16.812 10.098 -7.052 1.00 0.00 C ATOM 815 CG GLU A 56 -17.707 9.006 -7.617 1.00 0.00 C ATOM 816 CD GLU A 56 -19.004 8.859 -6.849 1.00 0.00 C ATOM 817 OE1 GLU A 56 -19.431 9.845 -6.210 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.596 7.760 -6.884 1.00 0.00 O ATOM 0 H GLU A 56 -15.536 11.739 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.042 9.517 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.385 11.022 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.996 10.285 -7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.930 9.228 -8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.170 8.057 -7.601 1.00 0.00 H new ATOM 825 N LYS A 57 -13.995 8.816 -5.778 1.00 0.00 N ATOM 826 CA LYS A 57 -13.001 7.755 -5.876 1.00 0.00 C ATOM 827 C LYS A 57 -13.137 6.773 -4.716 1.00 0.00 C ATOM 828 O LYS A 57 -13.580 7.139 -3.627 1.00 0.00 O ATOM 829 CB LYS A 57 -11.591 8.348 -5.897 1.00 0.00 C ATOM 830 CG LYS A 57 -11.361 9.332 -7.031 1.00 0.00 C ATOM 831 CD LYS A 57 -11.474 8.655 -8.387 1.00 0.00 C ATOM 832 CE LYS A 57 -10.999 9.567 -9.506 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.692 9.275 -10.791 1.00 0.00 N ATOM 0 H LYS A 57 -13.603 9.754 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.173 7.215 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.403 8.850 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.866 7.538 -5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.088 10.141 -6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.374 9.782 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.884 7.739 -8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.510 8.367 -8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.174 10.606 -9.227 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.923 9.450 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.340 9.918 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.504 8.291 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.716 9.412 -10.672 1.00 0.00 H new ATOM 847 N MET A 58 -12.749 5.526 -4.959 1.00 0.00 N ATOM 848 CA MET A 58 -12.823 4.485 -3.940 1.00 0.00 C ATOM 849 C MET A 58 -11.630 3.543 -4.048 1.00 0.00 C ATOM 850 O MET A 58 -11.681 2.540 -4.760 1.00 0.00 O ATOM 851 CB MET A 58 -14.125 3.697 -4.088 1.00 0.00 C ATOM 852 CG MET A 58 -15.361 4.491 -3.698 1.00 0.00 C ATOM 853 SD MET A 58 -16.814 3.447 -3.478 1.00 0.00 S ATOM 854 CE MET A 58 -16.195 2.260 -2.289 1.00 0.00 C ATOM 0 H MET A 58 -12.379 5.211 -5.856 1.00 0.00 H new ATOM 0 HA MET A 58 -12.803 4.960 -2.959 1.00 0.00 H new ATOM 0 HB2 MET A 58 -14.226 3.368 -5.122 1.00 0.00 H new ATOM 0 HB3 MET A 58 -14.070 2.800 -3.472 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.164 5.032 -2.773 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.567 5.237 -4.466 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.937 2.109 -1.505 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.998 1.312 -2.790 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.272 2.635 -1.847 1.00 0.00 H new ATOM 864 N MET A 59 -10.548 3.875 -3.347 1.00 0.00 N ATOM 865 CA MET A 59 -9.344 3.054 -3.381 1.00 0.00 C ATOM 866 C MET A 59 -8.307 3.539 -2.367 1.00 0.00 C ATOM 867 O MET A 59 -8.201 4.733 -2.091 1.00 0.00 O ATOM 868 CB MET A 59 -8.752 3.069 -4.795 1.00 0.00 C ATOM 869 CG MET A 59 -7.352 2.483 -4.894 1.00 0.00 C ATOM 870 SD MET A 59 -6.073 3.748 -5.028 1.00 0.00 S ATOM 871 CE MET A 59 -6.733 4.763 -6.350 1.00 0.00 C ATOM 0 H MET A 59 -10.482 4.701 -2.753 1.00 0.00 H new ATOM 0 HA MET A 59 -9.617 2.034 -3.111 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.414 2.513 -5.459 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.729 4.097 -5.156 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.158 1.868 -4.015 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.299 1.825 -5.762 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.912 5.205 -6.914 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.339 4.147 -7.014 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.350 5.556 -5.927 1.00 0.00 H new ATOM 881 N LEU A 60 -7.545 2.594 -1.823 1.00 0.00 N ATOM 882 CA LEU A 60 -6.506 2.900 -0.844 1.00 0.00 C ATOM 883 C LEU A 60 -5.127 2.580 -1.417 1.00 0.00 C ATOM 884 O LEU A 60 -4.931 1.524 -2.019 1.00 0.00 O ATOM 885 CB LEU A 60 -6.733 2.090 0.435 1.00 0.00 C ATOM 886 CG LEU A 60 -6.255 2.761 1.723 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.434 3.334 2.494 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.484 1.772 2.583 1.00 0.00 C ATOM 0 H LEU A 60 -7.629 1.602 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.554 3.963 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.798 1.879 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.225 1.131 0.334 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.587 3.581 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.075 3.808 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.946 4.074 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.127 2.532 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.151 2.266 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.130 0.932 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.618 1.408 2.031 1.00 0.00 H new ATOM 900 N ARG A 61 -4.178 3.492 -1.236 1.00 0.00 N ATOM 901 CA ARG A 61 -2.825 3.289 -1.754 1.00 0.00 C ATOM 902 C ARG A 61 -1.781 3.315 -0.637 1.00 0.00 C ATOM 903 O ARG A 61 -1.679 4.283 0.112 1.00 0.00 O ATOM 904 CB ARG A 61 -2.492 4.358 -2.795 1.00 0.00 C ATOM 905 CG ARG A 61 -1.556 3.871 -3.889 1.00 0.00 C ATOM 906 CD ARG A 61 -1.436 4.884 -5.017 1.00 0.00 C ATOM 907 NE ARG A 61 -0.164 5.604 -4.975 1.00 0.00 N ATOM 908 CZ ARG A 61 0.048 6.698 -4.247 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.923 7.206 -3.496 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.236 7.288 -4.268 1.00 0.00 N ATOM 0 H ARG A 61 -4.316 4.372 -0.739 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.797 2.304 -2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.417 4.711 -3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.038 5.213 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.570 3.679 -3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.922 2.925 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.531 4.373 -5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.258 5.597 -4.953 1.00 0.00 H new ATOM 0 HE ARG A 61 0.608 5.246 -5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.839 6.757 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.753 8.045 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.986 6.903 -4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.399 8.126 -3.710 1.00 0.00 H new ATOM 924 N LEU A 62 -0.998 2.240 -0.548 1.00 0.00 N ATOM 925 CA LEU A 62 0.053 2.127 0.460 1.00 0.00 C ATOM 926 C LEU A 62 1.391 2.576 -0.114 1.00 0.00 C ATOM 927 O LEU A 62 1.683 2.346 -1.287 1.00 0.00 O ATOM 928 CB LEU A 62 0.168 0.679 0.948 1.00 0.00 C ATOM 929 CG LEU A 62 -0.958 0.184 1.864 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.274 0.884 1.553 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.114 -1.323 1.727 1.00 0.00 C ATOM 0 H LEU A 62 -1.073 1.432 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.209 2.770 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.213 0.026 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.114 0.570 1.478 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.690 0.424 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.051 0.510 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.158 1.958 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.556 0.685 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.916 -1.667 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.357 -1.571 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.182 -1.812 2.008 1.00 0.00 H new ATOM 943 N ILE A 63 2.202 3.216 0.719 1.00 0.00 N ATOM 944 CA ILE A 63 3.510 3.695 0.291 1.00 0.00 C ATOM 945 C ILE A 63 4.623 3.029 1.088 1.00 0.00 C ATOM 946 O ILE A 63 4.638 3.091 2.315 1.00 0.00 O ATOM 947 CB ILE A 63 3.634 5.221 0.450 1.00 0.00 C ATOM 948 CG1 ILE A 63 2.380 5.923 -0.099 1.00 0.00 C ATOM 949 CG2 ILE A 63 4.897 5.716 -0.244 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.559 6.532 -1.472 1.00 0.00 C ATOM 0 H ILE A 63 1.977 3.415 1.694 1.00 0.00 H new ATOM 0 HA ILE A 63 3.608 3.437 -0.763 1.00 0.00 H new ATOM 0 HB ILE A 63 3.711 5.464 1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.562 5.203 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.082 6.707 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.977 6.797 -0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.769 5.237 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.850 5.469 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.628 7.006 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.353 7.278 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.825 5.751 -2.185 1.00 0.00 H new ATOM 962 N GLY A 64 5.553 2.394 0.385 1.00 0.00 N ATOM 963 CA GLY A 64 6.657 1.730 1.053 1.00 0.00 C ATOM 964 C GLY A 64 7.868 2.631 1.201 1.00 0.00 C ATOM 965 O GLY A 64 8.052 3.565 0.421 1.00 0.00 O ATOM 0 H GLY A 64 5.563 2.327 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.334 1.395 2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.936 0.840 0.490 1.00 0.00 H new ATOM 969 N LYS A 65 8.696 2.351 2.203 1.00 0.00 N ATOM 970 CA LYS A 65 9.894 3.145 2.448 1.00 0.00 C ATOM 971 C LYS A 65 10.908 2.958 1.325 1.00 0.00 C ATOM 972 O LYS A 65 10.903 1.939 0.633 1.00 0.00 O ATOM 973 CB LYS A 65 10.523 2.762 3.789 1.00 0.00 C ATOM 974 CG LYS A 65 9.894 3.468 4.978 1.00 0.00 C ATOM 975 CD LYS A 65 10.595 3.104 6.277 1.00 0.00 C ATOM 976 CE LYS A 65 9.918 3.751 7.474 1.00 0.00 C ATOM 977 NZ LYS A 65 9.887 2.842 8.654 1.00 0.00 N ATOM 0 H LYS A 65 8.559 1.581 2.858 1.00 0.00 H new ATOM 0 HA LYS A 65 9.603 4.195 2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.435 1.685 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.588 2.993 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.940 4.547 4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.839 3.201 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.597 2.021 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.637 3.421 6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.444 4.669 7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.900 4.033 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.329 3.280 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.453 1.937 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.857 2.674 8.989 1.00 0.00 H new ATOM 991 N VAL A 66 11.778 3.948 1.147 1.00 0.00 N ATOM 992 CA VAL A 66 12.796 3.891 0.107 1.00 0.00 C ATOM 993 C VAL A 66 14.199 3.997 0.707 1.00 0.00 C ATOM 994 O VAL A 66 14.392 3.794 1.905 1.00 0.00 O ATOM 995 CB VAL A 66 12.579 5.006 -0.948 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.236 6.316 -0.524 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.082 4.563 -2.318 1.00 0.00 C ATOM 0 H VAL A 66 11.797 4.798 1.710 1.00 0.00 H new ATOM 0 HA VAL A 66 12.705 2.925 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 66 11.506 5.186 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.063 7.074 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.807 6.649 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.308 6.162 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.919 5.362 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.147 4.338 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.540 3.672 -2.634 1.00 0.00 H new ATOM 1007 N ASP A 67 15.169 4.320 -0.138 1.00 0.00 N ATOM 1008 CA ASP A 67 16.555 4.458 0.290 1.00 0.00 C ATOM 1009 C ASP A 67 17.428 4.890 -0.882 1.00 0.00 C ATOM 1010 O ASP A 67 18.224 4.107 -1.401 1.00 0.00 O ATOM 1011 CB ASP A 67 17.069 3.139 0.871 1.00 0.00 C ATOM 1012 CG ASP A 67 18.365 3.311 1.639 1.00 0.00 C ATOM 1013 OD1 ASP A 67 19.030 4.353 1.457 1.00 0.00 O ATOM 1014 OD2 ASP A 67 18.715 2.404 2.424 1.00 0.00 O ATOM 0 H ASP A 67 15.019 4.493 -1.132 1.00 0.00 H new ATOM 0 HA ASP A 67 16.603 5.222 1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.312 2.717 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.221 2.424 0.063 1.00 0.00 H new ATOM 1019 N GLU A 68 17.265 6.140 -1.303 1.00 0.00 N ATOM 1020 CA GLU A 68 18.027 6.678 -2.424 1.00 0.00 C ATOM 1021 C GLU A 68 19.527 6.526 -2.199 1.00 0.00 C ATOM 1022 O GLU A 68 20.308 6.503 -3.150 1.00 0.00 O ATOM 1023 CB GLU A 68 17.677 8.151 -2.648 1.00 0.00 C ATOM 1024 CG GLU A 68 16.188 8.403 -2.820 1.00 0.00 C ATOM 1025 CD GLU A 68 15.874 9.848 -3.152 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.782 10.697 -3.031 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.718 10.131 -3.533 1.00 0.00 O ATOM 0 H GLU A 68 16.611 6.801 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 68 17.758 6.108 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.041 8.735 -1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.202 8.510 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.804 7.761 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.668 8.124 -1.904 1.00 0.00 H new ATOM 1034 N SER A 69 19.922 6.415 -0.938 1.00 0.00 N ATOM 1035 CA SER A 69 21.330 6.256 -0.593 1.00 0.00 C ATOM 1036 C SER A 69 21.889 4.954 -1.166 1.00 0.00 C ATOM 1037 O SER A 69 23.104 4.766 -1.222 1.00 0.00 O ATOM 1038 CB SER A 69 21.508 6.276 0.926 1.00 0.00 C ATOM 1039 OG SER A 69 20.984 7.469 1.486 1.00 0.00 O ATOM 0 H SER A 69 19.290 6.432 -0.138 1.00 0.00 H new ATOM 0 HA SER A 69 21.882 7.089 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.007 5.414 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.566 6.189 1.172 1.00 0.00 H new ATOM 0 HG SER A 69 21.109 7.456 2.458 1.00 0.00 H new ATOM 1045 N LYS A 70 21.000 4.057 -1.587 1.00 0.00 N ATOM 1046 CA LYS A 70 21.414 2.777 -2.151 1.00 0.00 C ATOM 1047 C LYS A 70 22.133 2.972 -3.482 1.00 0.00 C ATOM 1048 O LYS A 70 23.163 2.345 -3.739 1.00 0.00 O ATOM 1049 CB LYS A 70 20.202 1.863 -2.342 1.00 0.00 C ATOM 1050 CG LYS A 70 19.528 1.468 -1.040 1.00 0.00 C ATOM 1051 CD LYS A 70 20.430 0.589 -0.189 1.00 0.00 C ATOM 1052 CE LYS A 70 19.696 0.040 1.024 1.00 0.00 C ATOM 1053 NZ LYS A 70 20.033 -1.388 1.278 1.00 0.00 N ATOM 0 H LYS A 70 19.990 4.194 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 70 22.107 2.310 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.475 2.366 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.517 0.961 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.260 2.365 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.600 0.938 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.807 -0.238 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.295 1.165 0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.950 0.634 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.621 0.138 0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.512 -1.724 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.768 -1.960 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.055 -1.479 1.448 1.00 0.00 H new ATOM 1067 N LYS A 71 21.586 3.839 -4.328 1.00 0.00 N ATOM 1068 CA LYS A 71 22.177 4.108 -5.633 1.00 0.00 C ATOM 1069 C LYS A 71 22.227 2.839 -6.476 1.00 0.00 C ATOM 1070 O LYS A 71 23.180 2.064 -6.394 1.00 0.00 O ATOM 1071 CB LYS A 71 23.586 4.684 -5.472 1.00 0.00 C ATOM 1072 CG LYS A 71 23.604 6.169 -5.148 1.00 0.00 C ATOM 1073 CD LYS A 71 23.443 6.416 -3.657 1.00 0.00 C ATOM 1074 CE LYS A 71 23.501 7.899 -3.328 1.00 0.00 C ATOM 1075 NZ LYS A 71 24.213 8.157 -2.046 1.00 0.00 N ATOM 0 H LYS A 71 20.735 4.367 -4.133 1.00 0.00 H new ATOM 0 HA LYS A 71 21.551 4.840 -6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 71 24.103 4.142 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.146 4.515 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.542 6.606 -5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 71 22.802 6.670 -5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.492 6.004 -3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 71 24.228 5.891 -3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 71 24.004 8.430 -4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 71 22.488 8.297 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.911 9.074 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 23.987 7.403 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 25.239 8.174 -2.216 1.00 0.00 H new ATOM 1089 N ARG A 72 21.194 2.632 -7.286 1.00 0.00 N ATOM 1090 CA ARG A 72 21.118 1.454 -8.142 1.00 0.00 C ATOM 1091 C ARG A 72 21.426 1.815 -9.592 1.00 0.00 C ATOM 1092 O ARG A 72 20.973 2.842 -10.097 1.00 0.00 O ATOM 1093 CB ARG A 72 19.735 0.803 -8.028 1.00 0.00 C ATOM 1094 CG ARG A 72 18.671 1.452 -8.900 1.00 0.00 C ATOM 1095 CD ARG A 72 18.667 0.857 -10.298 1.00 0.00 C ATOM 1096 NE ARG A 72 17.500 0.008 -10.528 1.00 0.00 N ATOM 1097 CZ ARG A 72 17.358 -0.785 -11.586 1.00 0.00 C ATOM 1098 NH1 ARG A 72 18.305 -0.843 -12.514 1.00 0.00 N ATOM 1099 NH2 ARG A 72 16.263 -1.524 -11.718 1.00 0.00 N ATOM 0 H ARG A 72 20.398 3.265 -7.368 1.00 0.00 H new ATOM 0 HA ARG A 72 21.868 0.737 -7.808 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.817 -0.250 -8.297 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.411 0.842 -6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 72 17.691 1.318 -8.442 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.851 2.525 -8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 72 18.681 1.661 -11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.575 0.273 -10.446 1.00 0.00 H new ATOM 0 HE ARG A 72 16.750 0.025 -9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 72 19.148 -0.277 -12.418 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.190 -1.453 -13.323 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.532 -1.483 -11.008 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.153 -2.133 -12.529 1.00 0.00 H new ATOM 1113 N LYS A 73 22.203 0.965 -10.257 1.00 0.00 N ATOM 1114 CA LYS A 73 22.574 1.196 -11.648 1.00 0.00 C ATOM 1115 C LYS A 73 21.487 0.701 -12.595 1.00 0.00 C ATOM 1116 O LYS A 73 20.825 -0.301 -12.328 1.00 0.00 O ATOM 1117 CB LYS A 73 23.899 0.503 -11.967 1.00 0.00 C ATOM 1118 CG LYS A 73 25.048 0.944 -11.073 1.00 0.00 C ATOM 1119 CD LYS A 73 26.163 1.594 -11.874 1.00 0.00 C ATOM 1120 CE LYS A 73 27.504 1.457 -11.171 1.00 0.00 C ATOM 1121 NZ LYS A 73 27.866 0.033 -10.936 1.00 0.00 N ATOM 0 H LYS A 73 22.588 0.110 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 73 22.690 2.270 -11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.768 -0.575 -11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.162 0.701 -13.006 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.679 1.646 -10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.441 0.082 -10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 73 26.219 1.135 -12.861 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.936 2.649 -12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 73 28.279 1.934 -11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.469 1.985 -10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.857 -0.123 -11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.746 -0.194 -9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.249 -0.581 -11.505 1.00 0.00 H new ATOM 1135 N ASP A 74 21.312 1.412 -13.704 1.00 0.00 N ATOM 1136 CA ASP A 74 20.307 1.049 -14.696 1.00 0.00 C ATOM 1137 C ASP A 74 20.874 0.062 -15.712 1.00 0.00 C ATOM 1138 O ASP A 74 22.056 -0.281 -15.667 1.00 0.00 O ATOM 1139 CB ASP A 74 19.791 2.298 -15.413 1.00 0.00 C ATOM 1140 CG ASP A 74 18.521 2.843 -14.789 1.00 0.00 C ATOM 1141 OD1 ASP A 74 18.099 2.314 -13.739 1.00 0.00 O ATOM 1142 OD2 ASP A 74 17.948 3.799 -15.351 1.00 0.00 O ATOM 0 H ASP A 74 21.854 2.244 -13.938 1.00 0.00 H new ATOM 0 HA ASP A 74 19.478 0.570 -14.176 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.561 3.069 -15.393 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.604 2.061 -16.460 1.00 0.00 H new ATOM 1147 N ASN A 75 20.023 -0.389 -16.627 1.00 0.00 N ATOM 1148 CA ASN A 75 20.437 -1.337 -17.656 1.00 0.00 C ATOM 1149 C ASN A 75 21.430 -0.705 -18.629 1.00 0.00 C ATOM 1150 O ASN A 75 22.107 -1.408 -19.378 1.00 0.00 O ATOM 1151 CB ASN A 75 19.216 -1.853 -18.420 1.00 0.00 C ATOM 1152 CG ASN A 75 19.531 -3.082 -19.250 1.00 0.00 C ATOM 1153 OD1 ASN A 75 19.912 -4.124 -18.716 1.00 0.00 O ATOM 1154 ND2 ASN A 75 19.372 -2.967 -20.563 1.00 0.00 N ATOM 0 H ASN A 75 19.042 -0.114 -16.678 1.00 0.00 H new ATOM 0 HA ASN A 75 20.933 -2.172 -17.160 1.00 0.00 H new ATOM 0 HB2 ASN A 75 18.421 -2.090 -17.712 1.00 0.00 H new ATOM 0 HB3 ASN A 75 18.839 -1.065 -19.071 1.00 0.00 H new ATOM 0 HD21 ASN A 75 19.568 -3.762 -21.172 1.00 0.00 H new ATOM 0 HD22 ASN A 75 19.054 -2.084 -20.963 1.00 0.00 H new ATOM 1161 N GLU A 76 21.512 0.623 -18.618 1.00 0.00 N ATOM 1162 CA GLU A 76 22.425 1.338 -19.505 1.00 0.00 C ATOM 1163 C GLU A 76 23.803 1.503 -18.865 1.00 0.00 C ATOM 1164 O GLU A 76 24.746 1.955 -19.516 1.00 0.00 O ATOM 1165 CB GLU A 76 21.848 2.708 -19.863 1.00 0.00 C ATOM 1166 CG GLU A 76 22.087 3.109 -21.310 1.00 0.00 C ATOM 1167 CD GLU A 76 23.476 3.666 -21.540 1.00 0.00 C ATOM 1168 OE1 GLU A 76 24.103 4.120 -20.560 1.00 0.00 O ATOM 1169 OE2 GLU A 76 23.939 3.650 -22.701 1.00 0.00 O ATOM 0 H GLU A 76 20.959 1.224 -18.007 1.00 0.00 H new ATOM 0 HA GLU A 76 22.541 0.748 -20.414 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.776 2.704 -19.668 1.00 0.00 H new ATOM 0 HB3 GLU A 76 22.288 3.461 -19.209 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.937 2.242 -21.953 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.348 3.855 -21.603 1.00 0.00 H new ATOM 1176 N GLY A 77 23.915 1.140 -17.591 1.00 0.00 N ATOM 1177 CA GLY A 77 25.182 1.262 -16.896 1.00 0.00 C ATOM 1178 C GLY A 77 25.304 2.567 -16.128 1.00 0.00 C ATOM 1179 O GLY A 77 26.378 2.898 -15.626 1.00 0.00 O ATOM 0 H GLY A 77 23.152 0.764 -17.029 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.295 0.426 -16.205 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.996 1.192 -17.617 1.00 0.00 H new ATOM 1183 N ASN A 78 24.203 3.308 -16.035 1.00 0.00 N ATOM 1184 CA ASN A 78 24.201 4.580 -15.321 1.00 0.00 C ATOM 1185 C ASN A 78 23.539 4.435 -13.955 1.00 0.00 C ATOM 1186 O ASN A 78 22.596 3.662 -13.791 1.00 0.00 O ATOM 1187 CB ASN A 78 23.476 5.649 -16.138 1.00 0.00 C ATOM 1188 CG ASN A 78 24.109 5.864 -17.499 1.00 0.00 C ATOM 1189 OD1 ASN A 78 25.266 6.275 -17.601 1.00 0.00 O ATOM 1190 ND2 ASN A 78 23.353 5.587 -18.554 1.00 0.00 N ATOM 0 H ASN A 78 23.305 3.050 -16.444 1.00 0.00 H new ATOM 0 HA ASN A 78 25.237 4.886 -15.175 1.00 0.00 H new ATOM 0 HB2 ASN A 78 22.433 5.359 -16.267 1.00 0.00 H new ATOM 0 HB3 ASN A 78 23.479 6.589 -15.586 1.00 0.00 H new ATOM 0 HD21 ASN A 78 23.725 5.712 -19.495 1.00 0.00 H new ATOM 0 HD22 ASN A 78 22.400 5.249 -18.424 1.00 0.00 H new ATOM 1197 N GLU A 79 24.039 5.181 -12.976 1.00 0.00 N ATOM 1198 CA GLU A 79 23.493 5.130 -11.625 1.00 0.00 C ATOM 1199 C GLU A 79 22.205 5.937 -11.527 1.00 0.00 C ATOM 1200 O GLU A 79 22.085 7.009 -12.120 1.00 0.00 O ATOM 1201 CB GLU A 79 24.519 5.656 -10.617 1.00 0.00 C ATOM 1202 CG GLU A 79 25.799 4.838 -10.568 1.00 0.00 C ATOM 1203 CD GLU A 79 26.770 5.333 -9.514 1.00 0.00 C ATOM 1204 OE1 GLU A 79 26.555 6.444 -8.982 1.00 0.00 O ATOM 1205 OE2 GLU A 79 27.745 4.611 -9.218 1.00 0.00 O ATOM 0 H GLU A 79 24.820 5.827 -13.092 1.00 0.00 H new ATOM 0 HA GLU A 79 23.265 4.090 -11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.766 6.688 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 79 24.068 5.669 -9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.552 3.796 -10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 79 26.282 4.869 -11.544 1.00 0.00 H new ATOM 1212 N VAL A 80 21.242 5.412 -10.778 1.00 0.00 N ATOM 1213 CA VAL A 80 19.958 6.081 -10.605 1.00 0.00 C ATOM 1214 C VAL A 80 19.455 5.953 -9.179 1.00 0.00 C ATOM 1215 O VAL A 80 19.761 4.989 -8.480 1.00 0.00 O ATOM 1216 CB VAL A 80 18.887 5.521 -11.572 1.00 0.00 C ATOM 1217 CG1 VAL A 80 19.506 5.178 -12.919 1.00 0.00 C ATOM 1218 CG2 VAL A 80 18.187 4.302 -10.975 1.00 0.00 C ATOM 0 H VAL A 80 21.326 4.525 -10.281 1.00 0.00 H new ATOM 0 HA VAL A 80 20.124 7.134 -10.833 1.00 0.00 H new ATOM 0 HB VAL A 80 18.137 6.297 -11.725 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.736 4.786 -13.584 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.942 6.075 -13.358 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.284 4.427 -12.781 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.440 3.931 -11.677 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.921 3.520 -10.779 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.699 4.583 -10.042 1.00 0.00 H new ATOM 1228 N VAL A 81 18.665 6.928 -8.776 1.00 0.00 N ATOM 1229 CA VAL A 81 18.076 6.951 -7.453 1.00 0.00 C ATOM 1230 C VAL A 81 16.782 6.138 -7.455 1.00 0.00 C ATOM 1231 O VAL A 81 15.787 6.549 -8.051 1.00 0.00 O ATOM 1232 CB VAL A 81 17.792 8.402 -7.015 1.00 0.00 C ATOM 1233 CG1 VAL A 81 17.091 9.170 -8.125 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.982 8.438 -5.725 1.00 0.00 C ATOM 0 H VAL A 81 18.413 7.727 -9.358 1.00 0.00 H new ATOM 0 HA VAL A 81 18.777 6.510 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 81 18.747 8.889 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.900 10.191 -7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 81 17.725 9.187 -9.012 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.146 8.683 -8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.797 9.474 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 81 16.031 7.928 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.538 7.938 -4.932 1.00 0.00 H new ATOM 1244 N PRO A 82 16.778 4.960 -6.806 1.00 0.00 N ATOM 1245 CA PRO A 82 15.598 4.097 -6.768 1.00 0.00 C ATOM 1246 C PRO A 82 14.353 4.832 -6.280 1.00 0.00 C ATOM 1247 O PRO A 82 14.435 5.712 -5.424 1.00 0.00 O ATOM 1248 CB PRO A 82 15.989 2.994 -5.784 1.00 0.00 C ATOM 1249 CG PRO A 82 17.476 2.955 -5.830 1.00 0.00 C ATOM 1250 CD PRO A 82 17.917 4.371 -6.077 1.00 0.00 C ATOM 0 HA PRO A 82 15.337 3.726 -7.759 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.630 3.215 -4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.559 2.035 -6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.886 2.576 -4.894 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.825 2.293 -6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.114 4.899 -5.144 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.834 4.410 -6.665 1.00 0.00 H new ATOM 1258 N LYS A 83 13.204 4.462 -6.831 1.00 0.00 N ATOM 1259 CA LYS A 83 11.938 5.081 -6.455 1.00 0.00 C ATOM 1260 C LYS A 83 11.291 4.338 -5.296 1.00 0.00 C ATOM 1261 O LYS A 83 11.543 3.154 -5.079 1.00 0.00 O ATOM 1262 CB LYS A 83 10.986 5.123 -7.652 1.00 0.00 C ATOM 1263 CG LYS A 83 11.345 6.186 -8.677 1.00 0.00 C ATOM 1264 CD LYS A 83 10.769 7.541 -8.299 1.00 0.00 C ATOM 1265 CE LYS A 83 11.812 8.420 -7.627 1.00 0.00 C ATOM 1266 NZ LYS A 83 11.205 9.340 -6.625 1.00 0.00 N ATOM 0 H LYS A 83 13.122 3.735 -7.541 1.00 0.00 H new ATOM 0 HA LYS A 83 12.145 6.102 -6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.983 4.147 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.973 5.303 -7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.429 6.261 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.969 5.890 -9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.392 8.039 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.921 7.403 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.555 7.791 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.336 9.003 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.526 10.312 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.168 9.298 -6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.496 9.053 -5.669 1.00 0.00 H new ATOM 1280 N PRO A 84 10.455 5.046 -4.524 1.00 0.00 N ATOM 1281 CA PRO A 84 9.767 4.491 -3.356 1.00 0.00 C ATOM 1282 C PRO A 84 8.663 3.510 -3.735 1.00 0.00 C ATOM 1283 O PRO A 84 7.978 3.691 -4.741 1.00 0.00 O ATOM 1284 CB PRO A 84 9.182 5.729 -2.668 1.00 0.00 C ATOM 1285 CG PRO A 84 9.898 6.875 -3.293 1.00 0.00 C ATOM 1286 CD PRO A 84 10.128 6.461 -4.703 1.00 0.00 C ATOM 0 HA PRO A 84 10.442 3.915 -2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.106 5.800 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.345 5.699 -1.591 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.304 7.787 -3.241 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.839 7.078 -2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.245 6.605 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.941 7.017 -5.170 1.00 0.00 H new ATOM 1294 N GLN A 85 8.498 2.473 -2.923 1.00 0.00 N ATOM 1295 CA GLN A 85 7.476 1.463 -3.172 1.00 0.00 C ATOM 1296 C GLN A 85 6.078 2.054 -3.027 1.00 0.00 C ATOM 1297 O GLN A 85 5.831 2.884 -2.151 1.00 0.00 O ATOM 1298 CB GLN A 85 7.647 0.284 -2.212 1.00 0.00 C ATOM 1299 CG GLN A 85 8.729 -0.695 -2.634 1.00 0.00 C ATOM 1300 CD GLN A 85 9.016 -1.741 -1.576 1.00 0.00 C ATOM 1301 OE1 GLN A 85 8.674 -1.567 -0.406 1.00 0.00 O ATOM 1302 NE2 GLN A 85 9.646 -2.837 -1.981 1.00 0.00 N ATOM 0 H GLN A 85 9.058 2.309 -2.087 1.00 0.00 H new ATOM 0 HA GLN A 85 7.596 1.108 -4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.883 0.667 -1.219 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.699 -0.248 -2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.425 -1.191 -3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.644 -0.146 -2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.911 -2.940 -2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.865 -3.576 -1.313 1.00 0.00 H new ATOM 1311 N ARG A 86 5.167 1.621 -3.891 1.00 0.00 N ATOM 1312 CA ARG A 86 3.792 2.105 -3.862 1.00 0.00 C ATOM 1313 C ARG A 86 2.820 0.989 -4.240 1.00 0.00 C ATOM 1314 O ARG A 86 2.888 0.441 -5.340 1.00 0.00 O ATOM 1315 CB ARG A 86 3.628 3.284 -4.823 1.00 0.00 C ATOM 1316 CG ARG A 86 3.804 4.639 -4.158 1.00 0.00 C ATOM 1317 CD ARG A 86 4.397 5.659 -5.115 1.00 0.00 C ATOM 1318 NE ARG A 86 5.755 5.304 -5.522 1.00 0.00 N ATOM 1319 CZ ARG A 86 6.385 5.850 -6.558 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.786 6.777 -7.296 1.00 0.00 N ATOM 1321 NH2 ARG A 86 7.620 5.470 -6.857 1.00 0.00 N ATOM 0 H ARG A 86 5.356 0.935 -4.621 1.00 0.00 H new ATOM 0 HA ARG A 86 3.566 2.435 -2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.354 3.188 -5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.638 3.237 -5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.839 4.996 -3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.452 4.536 -3.288 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.763 5.739 -5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.406 6.640 -4.639 1.00 0.00 H new ATOM 0 HE ARG A 86 6.249 4.595 -4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.837 7.074 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.275 7.192 -8.089 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.086 4.759 -6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.104 5.888 -7.651 1.00 0.00 H new ATOM 1335 N HIS A 87 1.912 0.661 -3.326 1.00 0.00 N ATOM 1336 CA HIS A 87 0.926 -0.387 -3.571 1.00 0.00 C ATOM 1337 C HIS A 87 -0.464 0.215 -3.737 1.00 0.00 C ATOM 1338 O HIS A 87 -0.721 1.335 -3.298 1.00 0.00 O ATOM 1339 CB HIS A 87 0.921 -1.401 -2.424 1.00 0.00 C ATOM 1340 CG HIS A 87 2.284 -1.904 -2.063 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.925 -2.907 -2.761 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.129 -1.541 -1.068 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.104 -3.140 -2.210 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.251 -2.324 -1.182 1.00 0.00 N ATOM 0 H HIS A 87 1.838 1.105 -2.410 1.00 0.00 H new ATOM 0 HA HIS A 87 1.200 -0.901 -4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.468 -0.941 -1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.292 -2.247 -2.701 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.953 -0.778 -0.324 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.824 -3.873 -2.544 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.067 -2.282 -0.571 1.00 0.00 H new ATOM 1353 N MET A 88 -1.361 -0.533 -4.375 1.00 0.00 N ATOM 1354 CA MET A 88 -2.722 -0.059 -4.597 1.00 0.00 C ATOM 1355 C MET A 88 -3.749 -1.131 -4.246 1.00 0.00 C ATOM 1356 O MET A 88 -3.560 -2.312 -4.538 1.00 0.00 O ATOM 1357 CB MET A 88 -2.901 0.371 -6.053 1.00 0.00 C ATOM 1358 CG MET A 88 -4.261 0.987 -6.343 1.00 0.00 C ATOM 1359 SD MET A 88 -4.639 1.041 -8.104 1.00 0.00 S ATOM 1360 CE MET A 88 -6.311 1.682 -8.073 1.00 0.00 C ATOM 0 H MET A 88 -1.170 -1.464 -4.745 1.00 0.00 H new ATOM 0 HA MET A 88 -2.886 0.797 -3.943 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.123 1.091 -6.309 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.759 -0.495 -6.699 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.032 0.414 -5.828 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.291 1.999 -5.938 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.685 1.773 -9.093 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.951 1.002 -7.511 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.316 2.662 -7.596 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.842 -0.703 -3.622 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.914 -1.612 -3.233 1.00 0.00 C ATOM 1372 C PHE A 89 -7.258 -0.889 -3.276 1.00 0.00 C ATOM 1373 O PHE A 89 -7.425 0.158 -2.655 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.661 -2.164 -1.830 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.387 -2.951 -1.715 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.190 -2.316 -1.418 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.385 -4.323 -1.904 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.016 -3.037 -1.311 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.214 -5.049 -1.799 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.027 -4.405 -1.501 1.00 0.00 C ATOM 0 H PHE A 89 -5.009 0.272 -3.374 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.937 -2.444 -3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.632 -1.335 -1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.498 -2.800 -1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.175 -1.246 -1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.309 -4.831 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.090 -2.531 -1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.226 -6.118 -1.950 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.111 -4.970 -1.417 1.00 0.00 H new ATOM 1390 N SER A 90 -8.208 -1.448 -4.016 1.00 0.00 N ATOM 1391 CA SER A 90 -9.529 -0.840 -4.139 1.00 0.00 C ATOM 1392 C SER A 90 -10.553 -1.542 -3.254 1.00 0.00 C ATOM 1393 O SER A 90 -10.621 -2.770 -3.216 1.00 0.00 O ATOM 1394 CB SER A 90 -9.992 -0.873 -5.598 1.00 0.00 C ATOM 1395 OG SER A 90 -11.347 -0.477 -5.712 1.00 0.00 O ATOM 0 H SER A 90 -8.090 -2.317 -4.538 1.00 0.00 H new ATOM 0 HA SER A 90 -9.450 0.195 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.365 -0.212 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.869 -1.879 -5.999 1.00 0.00 H new ATOM 0 HG SER A 90 -11.442 0.452 -5.416 1.00 0.00 H new ATOM 1401 N PHE A 91 -11.351 -0.748 -2.546 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.381 -1.283 -1.664 1.00 0.00 C ATOM 1403 C PHE A 91 -13.751 -0.731 -2.043 1.00 0.00 C ATOM 1404 O PHE A 91 -13.917 0.477 -2.207 1.00 0.00 O ATOM 1405 CB PHE A 91 -12.070 -0.936 -0.206 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.647 -1.208 0.190 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.610 -0.459 -0.341 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.346 -2.214 1.097 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.301 -0.706 0.025 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.039 -2.464 1.466 1.00 0.00 C ATOM 1411 CZ PHE A 91 -8.015 -1.709 0.929 1.00 0.00 C ATOM 0 H PHE A 91 -11.303 0.271 -2.567 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.394 -2.367 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.289 0.118 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.734 -1.507 0.443 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.827 0.327 -1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.143 -2.808 1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.502 -0.114 -0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.818 -3.249 2.174 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.992 -1.903 1.216 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.726 -1.620 -2.188 1.00 0.00 N ATOM 1422 CA ASN A 92 -16.078 -1.210 -2.552 1.00 0.00 C ATOM 1423 C ASN A 92 -16.796 -0.555 -1.375 1.00 0.00 C ATOM 1424 O ASN A 92 -17.788 0.148 -1.559 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.886 -2.407 -3.046 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.160 -3.193 -4.120 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.115 -4.423 -4.082 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.586 -2.485 -5.086 1.00 0.00 N ATOM 0 H ASN A 92 -14.608 -2.625 -2.060 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.994 -0.477 -3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -17.106 -3.065 -2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.842 -2.059 -3.438 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.083 -2.959 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.648 -1.467 -5.078 1.00 0.00 H new ATOM 1435 N ASN A 93 -16.292 -0.790 -0.168 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.891 -0.219 1.031 1.00 0.00 C ATOM 1437 C ASN A 93 -15.940 0.771 1.693 1.00 0.00 C ATOM 1438 O ASN A 93 -14.876 0.393 2.181 1.00 0.00 O ATOM 1439 CB ASN A 93 -17.262 -1.327 2.018 1.00 0.00 C ATOM 1440 CG ASN A 93 -18.387 -2.206 1.504 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -19.115 -1.828 0.587 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -18.534 -3.384 2.097 1.00 0.00 N ATOM 0 H ASN A 93 -15.472 -1.371 0.005 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.796 0.314 0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -16.385 -1.943 2.215 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.558 -0.880 2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -19.274 -4.018 1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.907 -3.656 2.854 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.331 2.043 1.705 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.513 3.090 2.308 1.00 0.00 C ATOM 1451 C ARG A 94 -15.152 2.742 3.749 1.00 0.00 C ATOM 1452 O ARG A 94 -14.130 3.187 4.270 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.247 4.431 2.263 1.00 0.00 C ATOM 1454 CG ARG A 94 -15.384 5.612 2.676 1.00 0.00 C ATOM 1455 CD ARG A 94 -15.463 5.864 4.173 1.00 0.00 C ATOM 1456 NE ARG A 94 -15.356 7.284 4.496 1.00 0.00 N ATOM 1457 CZ ARG A 94 -14.212 7.964 4.482 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -13.076 7.358 4.158 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -14.202 9.253 4.788 1.00 0.00 N ATOM 0 H ARG A 94 -17.209 2.373 1.304 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.591 3.169 1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.618 4.599 1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.117 4.381 2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.349 5.424 2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.705 6.504 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.406 5.475 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.665 5.317 4.675 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.209 7.784 4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.077 6.367 3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.202 7.884 4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.072 9.725 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.325 9.773 4.777 1.00 0.00 H new ATOM 1473 N THR A 95 -15.999 1.945 4.382 1.00 0.00 N ATOM 1474 CA THR A 95 -15.792 1.530 5.747 1.00 0.00 C ATOM 1475 C THR A 95 -14.636 0.542 5.855 1.00 0.00 C ATOM 1476 O THR A 95 -13.776 0.672 6.727 1.00 0.00 O ATOM 1477 CB THR A 95 -17.074 0.905 6.264 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.170 1.242 5.430 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.422 1.331 7.664 1.00 0.00 C ATOM 0 H THR A 95 -16.848 1.571 3.957 1.00 0.00 H new ATOM 0 HA THR A 95 -15.532 2.400 6.350 1.00 0.00 H new ATOM 0 HB THR A 95 -16.891 -0.169 6.262 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.987 0.828 5.780 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.349 0.848 7.972 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.620 1.042 8.342 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.550 2.413 7.694 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.618 -0.445 4.964 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.560 -1.448 4.965 1.00 0.00 C ATOM 1489 C VAL A 96 -12.197 -0.790 4.797 1.00 0.00 C ATOM 1490 O VAL A 96 -11.287 -1.013 5.597 1.00 0.00 O ATOM 1491 CB VAL A 96 -13.766 -2.493 3.850 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.670 -3.548 3.890 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.138 -3.139 3.970 1.00 0.00 C ATOM 0 H VAL A 96 -15.321 -0.571 4.236 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.601 -1.958 5.927 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.710 -1.982 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.835 -4.275 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.700 -3.071 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.688 -4.055 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.265 -3.874 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.224 -3.633 4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.909 -2.374 3.884 1.00 0.00 H new ATOM 1503 N MET A 97 -12.065 0.036 3.765 1.00 0.00 N ATOM 1504 CA MET A 97 -10.813 0.736 3.518 1.00 0.00 C ATOM 1505 C MET A 97 -10.470 1.621 4.709 1.00 0.00 C ATOM 1506 O MET A 97 -9.299 1.819 5.034 1.00 0.00 O ATOM 1507 CB MET A 97 -10.892 1.582 2.244 1.00 0.00 C ATOM 1508 CG MET A 97 -12.212 2.311 2.058 1.00 0.00 C ATOM 1509 SD MET A 97 -12.205 3.393 0.616 1.00 0.00 S ATOM 1510 CE MET A 97 -11.139 4.711 1.188 1.00 0.00 C ATOM 0 H MET A 97 -12.804 0.235 3.091 1.00 0.00 H new ATOM 0 HA MET A 97 -10.029 -0.009 3.381 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.085 2.314 2.258 1.00 0.00 H new ATOM 0 HB3 MET A 97 -10.722 0.937 1.382 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.015 1.581 1.957 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.427 2.900 2.949 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.334 5.614 0.609 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.336 4.907 2.242 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.097 4.417 1.062 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.504 2.138 5.365 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.319 2.991 6.530 1.00 0.00 C ATOM 1522 C ASP A 98 -10.611 2.228 7.638 1.00 0.00 C ATOM 1523 O ASP A 98 -9.805 2.791 8.379 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.666 3.517 7.029 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.511 4.617 8.061 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.391 5.157 8.192 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -13.509 4.941 8.738 1.00 0.00 O ATOM 0 H ASP A 98 -12.478 1.980 5.108 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.701 3.840 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.241 3.894 6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.236 2.695 7.461 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.909 0.941 7.737 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.293 0.092 8.749 1.00 0.00 C ATOM 1534 C ASN A 99 -8.831 -0.165 8.410 1.00 0.00 C ATOM 1535 O ASN A 99 -7.958 -0.082 9.273 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.044 -1.237 8.870 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.418 -1.070 9.488 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -13.445 -1.040 8.648 1.00 0.00 O flip ATOM 1539 ND2 ASN A 99 -12.554 -0.969 10.707 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.573 0.461 7.130 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.347 0.611 9.706 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.145 -1.685 7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.458 -1.929 9.475 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.736 -0.997 11.316 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.485 -0.857 11.109 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.568 -0.466 7.141 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.210 -0.723 6.680 1.00 0.00 C ATOM 1548 C ILE A 100 -6.327 0.497 6.902 1.00 0.00 C ATOM 1549 O ILE A 100 -5.254 0.406 7.497 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.183 -1.087 5.180 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.146 -2.239 4.890 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.770 -1.448 4.743 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.705 -3.561 5.477 1.00 0.00 C ATOM 0 H ILE A 100 -9.280 -0.538 6.414 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.830 -1.565 7.258 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.507 -0.217 4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.130 -1.986 5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.254 -2.348 3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.771 -1.702 3.683 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.109 -0.598 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.418 -2.303 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.437 -4.331 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.735 -3.837 5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.625 -3.470 6.560 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.795 1.639 6.418 1.00 0.00 N ATOM 1566 CA LYS A 101 -6.065 2.890 6.556 1.00 0.00 C ATOM 1567 C LYS A 101 -5.897 3.259 8.024 1.00 0.00 C ATOM 1568 O LYS A 101 -4.914 3.888 8.413 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.808 4.004 5.821 1.00 0.00 C ATOM 1570 CG LYS A 101 -5.911 5.144 5.367 1.00 0.00 C ATOM 1571 CD LYS A 101 -6.450 6.491 5.818 1.00 0.00 C ATOM 1572 CE LYS A 101 -7.890 6.701 5.374 1.00 0.00 C ATOM 1573 NZ LYS A 101 -8.125 8.089 4.888 1.00 0.00 N ATOM 0 H LYS A 101 -7.683 1.724 5.923 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.075 2.764 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.310 3.581 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.584 4.403 6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.907 5.000 5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.826 5.131 4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.391 6.561 6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.825 7.287 5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.132 5.993 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.561 6.489 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.798 8.070 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.516 8.666 5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.225 8.502 4.569 1.00 0.00 H new ATOM 1587 N MET A 102 -6.870 2.859 8.829 1.00 0.00 N ATOM 1588 CA MET A 102 -6.851 3.135 10.260 1.00 0.00 C ATOM 1589 C MET A 102 -5.921 2.173 10.985 1.00 0.00 C ATOM 1590 O MET A 102 -5.192 2.566 11.896 1.00 0.00 O ATOM 1591 CB MET A 102 -8.262 3.039 10.842 1.00 0.00 C ATOM 1592 CG MET A 102 -9.056 4.330 10.729 1.00 0.00 C ATOM 1593 SD MET A 102 -10.601 4.279 11.656 1.00 0.00 S ATOM 1594 CE MET A 102 -11.422 2.894 10.873 1.00 0.00 C ATOM 0 H MET A 102 -7.689 2.338 8.514 1.00 0.00 H new ATOM 0 HA MET A 102 -6.479 4.149 10.403 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.804 2.243 10.331 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.194 2.755 11.892 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.447 5.159 11.090 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.273 4.528 9.679 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.457 2.846 11.211 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.400 3.022 9.791 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.910 1.969 11.139 1.00 0.00 H new ATOM 1604 N THR A 103 -5.953 0.909 10.578 1.00 0.00 N ATOM 1605 CA THR A 103 -5.115 -0.108 11.191 1.00 0.00 C ATOM 1606 C THR A 103 -3.669 0.018 10.714 1.00 0.00 C ATOM 1607 O THR A 103 -2.733 -0.084 11.509 1.00 0.00 O ATOM 1608 CB THR A 103 -5.679 -1.497 10.886 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.169 -2.109 12.065 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.668 -2.428 10.277 1.00 0.00 C ATOM 0 H THR A 103 -6.551 0.567 9.826 1.00 0.00 H new ATOM 0 HA THR A 103 -5.116 0.037 12.271 1.00 0.00 H new ATOM 0 HB THR A 103 -6.479 -1.332 10.164 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.935 -3.061 12.061 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.133 -3.395 10.086 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.305 -2.008 9.339 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.832 -2.557 10.964 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.492 0.243 9.417 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.158 0.382 8.847 1.00 0.00 C ATOM 1620 C LEU A 104 -1.422 1.562 9.474 1.00 0.00 C ATOM 1621 O LEU A 104 -0.214 1.499 9.702 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.243 0.560 7.330 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.337 -0.741 6.530 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.569 -0.445 5.057 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.075 -1.573 6.719 1.00 0.00 C ATOM 0 H LEU A 104 -4.252 0.333 8.743 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.599 -0.528 9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.114 1.174 7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.365 1.113 6.994 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.186 -1.315 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.633 -1.382 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.500 0.110 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.741 0.149 4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.158 -2.495 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.210 -1.006 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.953 -1.814 7.775 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.158 2.633 9.753 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.572 3.823 10.359 1.00 0.00 C ATOM 1639 C GLN A 105 -1.028 3.512 11.748 1.00 0.00 C ATOM 1640 O GLN A 105 -0.068 4.134 12.203 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.609 4.946 10.437 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.226 6.184 9.646 1.00 0.00 C ATOM 1643 CD GLN A 105 -0.995 6.871 10.199 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -0.888 7.108 11.403 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -0.054 7.198 9.321 1.00 0.00 N ATOM 0 H GLN A 105 -3.159 2.701 9.570 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.743 4.151 9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.565 4.572 10.070 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.754 5.223 11.481 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.047 5.906 8.607 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.061 6.885 9.649 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.182 6.983 8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.797 7.664 9.635 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.648 2.549 12.412 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.228 2.150 13.749 1.00 0.00 C ATOM 1656 C GLN A 106 0.146 1.489 13.715 1.00 0.00 C ATOM 1657 O GLN A 106 0.957 1.675 14.620 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.252 1.193 14.366 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.592 1.846 14.663 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.612 0.863 15.203 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.447 -0.350 15.078 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.674 1.383 15.807 1.00 0.00 N ATOM 0 H GLN A 106 -2.445 2.028 12.047 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.164 3.048 14.364 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.408 0.354 13.687 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.844 0.784 15.290 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.448 2.649 15.386 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.979 2.303 13.752 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.770 2.395 15.888 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.394 0.770 16.190 1.00 0.00 H new ATOM 1671 N ILE A 107 0.399 0.714 12.666 1.00 0.00 N ATOM 1672 CA ILE A 107 1.674 0.023 12.516 1.00 0.00 C ATOM 1673 C ILE A 107 2.809 1.006 12.257 1.00 0.00 C ATOM 1674 O ILE A 107 3.879 0.900 12.856 1.00 0.00 O ATOM 1675 CB ILE A 107 1.619 -1.016 11.377 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.519 -2.047 11.653 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.966 -1.706 11.214 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.449 -2.217 10.503 1.00 0.00 C ATOM 0 H ILE A 107 -0.262 0.549 11.907 1.00 0.00 H new ATOM 0 HA ILE A 107 1.867 -0.496 13.455 1.00 0.00 H new ATOM 0 HB ILE A 107 1.386 -0.497 10.447 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.981 -3.009 11.874 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.035 -1.747 12.543 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.906 -2.435 10.406 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.729 -0.964 10.978 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.229 -2.214 12.142 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.200 -2.961 10.767 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.938 -1.265 10.295 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.093 -2.547 9.617 1.00 0.00 H new ATOM 1690 N ILE A 108 2.571 1.976 11.380 1.00 0.00 N ATOM 1691 CA ILE A 108 3.585 2.979 11.077 1.00 0.00 C ATOM 1692 C ILE A 108 3.930 3.739 12.335 1.00 0.00 C ATOM 1693 O ILE A 108 5.064 3.723 12.813 1.00 0.00 O ATOM 1694 CB ILE A 108 3.113 4.005 10.025 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.277 3.341 8.933 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.306 4.726 9.417 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.279 4.283 8.303 1.00 0.00 C ATOM 0 H ILE A 108 1.694 2.088 10.871 1.00 0.00 H new ATOM 0 HA ILE A 108 4.446 2.444 10.676 1.00 0.00 H new ATOM 0 HB ILE A 108 2.480 4.734 10.530 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.940 2.952 8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.747 2.488 9.356 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.957 5.446 8.677 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.854 5.248 10.201 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.963 4.001 8.936 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.715 3.755 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.594 4.652 9.067 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.807 5.124 7.852 1.00 0.00 H new ATOM 1709 N SER A 109 2.915 4.392 12.867 1.00 0.00 N ATOM 1710 CA SER A 109 3.053 5.171 14.091 1.00 0.00 C ATOM 1711 C SER A 109 3.659 4.326 15.207 1.00 0.00 C ATOM 1712 O SER A 109 4.334 4.845 16.096 1.00 0.00 O ATOM 1713 CB SER A 109 1.694 5.720 14.529 1.00 0.00 C ATOM 1714 OG SER A 109 1.093 6.478 13.493 1.00 0.00 O ATOM 0 H SER A 109 1.976 4.400 12.469 1.00 0.00 H new ATOM 0 HA SER A 109 3.723 6.006 13.887 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.038 4.896 14.808 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.818 6.343 15.415 1.00 0.00 H new ATOM 0 HG SER A 109 0.625 5.877 12.877 1.00 0.00 H new ATOM 1720 N ARG A 110 3.416 3.021 15.150 1.00 0.00 N ATOM 1721 CA ARG A 110 3.943 2.104 16.155 1.00 0.00 C ATOM 1722 C ARG A 110 5.443 1.920 15.980 1.00 0.00 C ATOM 1723 O ARG A 110 6.180 1.749 16.952 1.00 0.00 O ATOM 1724 CB ARG A 110 3.237 0.750 16.066 1.00 0.00 C ATOM 1725 CG ARG A 110 2.051 0.619 17.008 1.00 0.00 C ATOM 1726 CD ARG A 110 1.362 -0.726 16.847 1.00 0.00 C ATOM 1727 NE ARG A 110 0.192 -0.849 17.714 1.00 0.00 N ATOM 1728 CZ ARG A 110 0.259 -1.136 19.013 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.434 -1.327 19.598 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -0.854 -1.230 19.728 1.00 0.00 N ATOM 0 H ARG A 110 2.859 2.575 14.421 1.00 0.00 H new ATOM 0 HA ARG A 110 3.757 2.535 17.139 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.896 0.594 15.042 1.00 0.00 H new ATOM 0 HB3 ARG A 110 3.955 -0.040 16.287 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.388 0.736 18.038 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.339 1.420 16.812 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.059 -0.856 15.808 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.068 -1.525 17.075 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.729 -0.707 17.300 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.293 -1.254 19.053 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.479 -1.546 20.593 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.760 -1.083 19.283 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.804 -1.450 20.723 1.00 0.00 H new ATOM 1744 N TYR A 111 5.887 1.961 14.734 1.00 0.00 N ATOM 1745 CA TYR A 111 7.300 1.803 14.417 1.00 0.00 C ATOM 1746 C TYR A 111 8.019 3.147 14.459 1.00 0.00 C ATOM 1747 O TYR A 111 9.202 3.219 14.793 1.00 0.00 O ATOM 1748 CB TYR A 111 7.470 1.155 13.039 1.00 0.00 C ATOM 1749 CG TYR A 111 6.873 -0.234 12.937 1.00 0.00 C ATOM 1750 CD1 TYR A 111 6.730 -1.041 14.061 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.454 -0.738 11.711 1.00 0.00 C ATOM 1752 CE1 TYR A 111 6.188 -2.308 13.965 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.910 -2.005 11.609 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.779 -2.785 12.739 1.00 0.00 C ATOM 1755 OH TYR A 111 5.240 -4.047 12.639 1.00 0.00 O ATOM 0 H TYR A 111 5.287 2.103 13.921 1.00 0.00 H new ATOM 0 HA TYR A 111 7.745 1.151 15.169 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.007 1.795 12.288 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.533 1.102 12.802 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.048 -0.671 15.025 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.555 -0.130 10.824 1.00 0.00 H new ATOM 0 HE1 TYR A 111 6.085 -2.922 14.847 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.589 -2.382 10.649 1.00 0.00 H new ATOM 0 HH TYR A 111 4.357 -4.060 13.064 1.00 0.00 H new ATOM 1765 N LYS A 112 7.295 4.211 14.126 1.00 0.00 N ATOM 1766 CA LYS A 112 7.864 5.553 14.134 1.00 0.00 C ATOM 1767 C LYS A 112 8.293 5.946 15.542 1.00 0.00 C ATOM 1768 O LYS A 112 9.294 6.637 15.731 1.00 0.00 O ATOM 1769 CB LYS A 112 6.852 6.566 13.595 1.00 0.00 C ATOM 1770 CG LYS A 112 7.092 6.950 12.143 1.00 0.00 C ATOM 1771 CD LYS A 112 5.969 6.462 11.243 1.00 0.00 C ATOM 1772 CE LYS A 112 4.797 7.429 11.242 1.00 0.00 C ATOM 1773 NZ LYS A 112 4.836 8.348 10.071 1.00 0.00 N ATOM 0 H LYS A 112 6.315 4.170 13.848 1.00 0.00 H new ATOM 0 HA LYS A 112 8.742 5.554 13.488 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.848 6.152 13.692 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.887 7.465 14.211 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.179 8.033 12.062 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.039 6.528 11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.343 6.340 10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.633 5.481 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.863 6.867 11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.807 8.013 12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.020 8.991 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.715 8.903 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.800 7.793 9.192 1.00 0.00 H new ATOM 1787 N ASP A 113 7.525 5.497 16.531 1.00 0.00 N ATOM 1788 CA ASP A 113 7.818 5.797 17.928 1.00 0.00 C ATOM 1789 C ASP A 113 9.208 5.301 18.312 1.00 0.00 C ATOM 1790 O ASP A 113 9.919 5.947 19.082 1.00 0.00 O ATOM 1791 CB ASP A 113 6.767 5.158 18.837 1.00 0.00 C ATOM 1792 CG ASP A 113 6.864 5.647 20.268 1.00 0.00 C ATOM 1793 OD1 ASP A 113 7.544 6.668 20.502 1.00 0.00 O ATOM 1794 OD2 ASP A 113 6.259 5.009 21.157 1.00 0.00 O ATOM 0 H ASP A 113 6.694 4.923 16.390 1.00 0.00 H new ATOM 0 HA ASP A 113 7.791 6.879 18.055 1.00 0.00 H new ATOM 0 HB2 ASP A 113 5.773 5.378 18.448 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.885 4.075 18.818 1.00 0.00 H new ATOM 1799 N ALA A 114 9.591 4.149 17.771 1.00 0.00 N ATOM 1800 CA ALA A 114 10.896 3.566 18.056 1.00 0.00 C ATOM 1801 C ALA A 114 12.021 4.479 17.583 1.00 0.00 C ATOM 1802 O ALA A 114 13.085 4.540 18.199 1.00 0.00 O ATOM 1803 CB ALA A 114 11.015 2.197 17.402 1.00 0.00 C ATOM 0 H ALA A 114 9.015 3.601 17.132 1.00 0.00 H new ATOM 0 HA ALA A 114 10.987 3.451 19.136 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.994 1.772 17.622 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.238 1.539 17.791 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.898 2.298 16.323 1.00 0.00 H new ATOM 1809 N ASP A 115 11.778 5.189 16.485 1.00 0.00 N ATOM 1810 CA ASP A 115 12.772 6.101 15.929 1.00 0.00 C ATOM 1811 C ASP A 115 12.235 7.526 15.882 1.00 0.00 C ATOM 1812 O ASP A 115 12.673 8.352 16.711 1.00 0.00 O ATOM 1813 CB ASP A 115 13.179 5.649 14.525 1.00 0.00 C ATOM 1814 CG ASP A 115 13.902 4.316 14.531 1.00 0.00 C ATOM 1815 OD1 ASP A 115 14.358 3.894 15.614 1.00 0.00 O ATOM 1816 OD2 ASP A 115 14.013 3.697 13.454 1.00 0.00 O ATOM 1817 OXT ASP A 115 11.381 7.809 15.015 1.00 0.00 O ATOM 0 H ASP A 115 10.902 5.150 15.963 1.00 0.00 H new ATOM 0 HA ASP A 115 13.648 6.084 16.577 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.290 5.574 13.899 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.822 6.406 14.075 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N LEU B 45 -4.166 3.146 -16.598 1.00 0.00 N ATOM 1824 CA LEU B 45 -3.460 2.111 -17.397 1.00 0.00 C ATOM 1825 C LEU B 45 -2.110 1.762 -16.777 1.00 0.00 C ATOM 1826 O LEU B 45 -1.655 0.622 -16.857 1.00 0.00 O ATOM 1827 CB LEU B 45 -3.264 2.641 -18.820 1.00 0.00 C ATOM 1828 CG LEU B 45 -2.652 1.642 -19.805 1.00 0.00 C ATOM 1829 CD1 LEU B 45 -3.660 0.565 -20.168 1.00 0.00 C ATOM 1830 CD2 LEU B 45 -2.162 2.361 -21.053 1.00 0.00 C ATOM 0 HA LEU B 45 -4.061 1.202 -17.413 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -4.230 2.964 -19.207 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.626 3.524 -18.778 1.00 0.00 H new ATOM 0 HG LEU B 45 -1.798 1.163 -19.326 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -3.207 -0.136 -20.869 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -3.963 0.032 -19.267 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -4.534 1.025 -20.629 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -1.729 1.637 -21.744 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -2.999 2.866 -21.534 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.406 3.095 -20.776 1.00 0.00 H new ATOM 1842 N SER B 46 -1.475 2.753 -16.159 1.00 0.00 N ATOM 1843 CA SER B 46 -0.178 2.551 -15.525 1.00 0.00 C ATOM 1844 C SER B 46 -0.201 3.024 -14.074 1.00 0.00 C ATOM 1845 O SER B 46 -1.125 3.721 -13.655 1.00 0.00 O ATOM 1846 CB SER B 46 0.913 3.295 -16.298 1.00 0.00 C ATOM 1847 OG SER B 46 1.489 2.466 -17.294 1.00 0.00 O ATOM 0 H SER B 46 -1.838 3.703 -16.084 1.00 0.00 H new ATOM 0 HA SER B 46 0.041 1.483 -15.537 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.491 4.186 -16.762 1.00 0.00 H new ATOM 0 HB3 SER B 46 1.687 3.631 -15.608 1.00 0.00 H new ATOM 0 HG SER B 46 2.182 2.965 -17.775 1.00 0.00 H new ATOM 1853 N PRO B 47 0.820 2.648 -13.285 1.00 0.00 N ATOM 1854 CA PRO B 47 0.913 3.038 -11.873 1.00 0.00 C ATOM 1855 C PRO B 47 0.746 4.540 -11.675 1.00 0.00 C ATOM 1856 O PRO B 47 0.026 4.982 -10.778 1.00 0.00 O ATOM 1857 CB PRO B 47 2.325 2.604 -11.479 1.00 0.00 C ATOM 1858 CG PRO B 47 2.652 1.488 -12.409 1.00 0.00 C ATOM 1859 CD PRO B 47 1.964 1.816 -13.705 1.00 0.00 C ATOM 0 HA PRO B 47 0.127 2.582 -11.272 1.00 0.00 H new ATOM 0 HB2 PRO B 47 3.034 3.425 -11.581 1.00 0.00 H new ATOM 0 HB3 PRO B 47 2.363 2.277 -10.440 1.00 0.00 H new ATOM 0 HG2 PRO B 47 3.729 1.400 -12.550 1.00 0.00 H new ATOM 0 HG3 PRO B 47 2.304 0.534 -12.012 1.00 0.00 H new ATOM 0 HD2 PRO B 47 2.624 2.355 -14.385 1.00 0.00 H new ATOM 0 HD3 PRO B 47 1.636 0.916 -14.225 1.00 0.00 H new ATOM 1867 N ASP B 48 1.415 5.321 -12.517 1.00 0.00 N ATOM 1868 CA ASP B 48 1.340 6.776 -12.435 1.00 0.00 C ATOM 1869 C ASP B 48 -0.100 7.254 -12.594 1.00 0.00 C ATOM 1870 O ASP B 48 -0.485 8.286 -12.045 1.00 0.00 O ATOM 1871 CB ASP B 48 2.223 7.414 -13.508 1.00 0.00 C ATOM 1872 CG ASP B 48 3.699 7.153 -13.275 1.00 0.00 C ATOM 1873 OD1 ASP B 48 4.057 6.721 -12.158 1.00 0.00 O ATOM 1874 OD2 ASP B 48 4.496 7.380 -14.209 1.00 0.00 O ATOM 0 H ASP B 48 2.015 4.971 -13.264 1.00 0.00 H new ATOM 0 HA ASP B 48 1.699 7.080 -11.452 1.00 0.00 H new ATOM 0 HB2 ASP B 48 1.939 7.026 -14.486 1.00 0.00 H new ATOM 0 HB3 ASP B 48 2.046 8.489 -13.528 1.00 0.00 H new ATOM 1879 N ASP B 49 -0.889 6.497 -13.347 1.00 0.00 N ATOM 1880 CA ASP B 49 -2.287 6.841 -13.579 1.00 0.00 C ATOM 1881 C ASP B 49 -3.068 6.834 -12.271 1.00 0.00 C ATOM 1882 O ASP B 49 -3.903 7.704 -12.028 1.00 0.00 O ATOM 1883 CB ASP B 49 -2.919 5.857 -14.564 1.00 0.00 C ATOM 1884 CG ASP B 49 -4.014 6.495 -15.396 1.00 0.00 C ATOM 1885 OD1 ASP B 49 -3.695 7.363 -16.235 1.00 0.00 O ATOM 1886 OD2 ASP B 49 -5.194 6.128 -15.206 1.00 0.00 O ATOM 0 H ASP B 49 -0.584 5.640 -13.808 1.00 0.00 H new ATOM 0 HA ASP B 49 -2.324 7.844 -14.003 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -2.147 5.463 -15.225 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -3.331 5.011 -14.014 1.00 0.00 H new ATOM 1891 N ILE B 50 -2.789 5.842 -11.432 1.00 0.00 N ATOM 1892 CA ILE B 50 -3.463 5.715 -10.148 1.00 0.00 C ATOM 1893 C ILE B 50 -3.087 6.854 -9.211 1.00 0.00 C ATOM 1894 O ILE B 50 -3.863 7.237 -8.335 1.00 0.00 O ATOM 1895 CB ILE B 50 -3.125 4.372 -9.473 1.00 0.00 C ATOM 1896 CG1 ILE B 50 -3.339 3.214 -10.450 1.00 0.00 C ATOM 1897 CG2 ILE B 50 -3.971 4.178 -8.223 1.00 0.00 C ATOM 1898 CD1 ILE B 50 -4.739 3.152 -11.017 1.00 0.00 C ATOM 0 H ILE B 50 -2.100 5.114 -11.620 1.00 0.00 H new ATOM 0 HA ILE B 50 -4.534 5.757 -10.346 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.075 4.386 -9.180 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -2.627 3.306 -11.271 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -3.120 2.275 -9.941 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -3.720 3.225 -7.758 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.773 4.988 -7.520 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -5.027 4.183 -8.494 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -4.817 2.307 -11.701 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -5.455 3.029 -10.205 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -4.955 4.075 -11.555 1.00 0.00 H new ATOM 1910 N GLU B 51 -1.893 7.396 -9.404 1.00 0.00 N ATOM 1911 CA GLU B 51 -1.406 8.496 -8.581 1.00 0.00 C ATOM 1912 C GLU B 51 -2.257 9.745 -8.788 1.00 0.00 C ATOM 1913 O GLU B 51 -2.438 10.545 -7.870 1.00 0.00 O ATOM 1914 CB GLU B 51 0.056 8.800 -8.910 1.00 0.00 C ATOM 1915 CG GLU B 51 1.006 7.663 -8.573 1.00 0.00 C ATOM 1916 CD GLU B 51 2.456 8.010 -8.847 1.00 0.00 C ATOM 1917 OE1 GLU B 51 2.707 9.039 -9.511 1.00 0.00 O ATOM 1918 OE2 GLU B 51 3.343 7.253 -8.399 1.00 0.00 O ATOM 0 H GLU B 51 -1.241 7.091 -10.126 1.00 0.00 H new ATOM 0 HA GLU B 51 -1.479 8.196 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU B 51 0.140 9.030 -9.972 1.00 0.00 H new ATOM 0 HB3 GLU B 51 0.364 9.693 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU B 51 0.892 7.400 -7.521 1.00 0.00 H new ATOM 0 HG3 GLU B 51 0.732 6.782 -9.153 1.00 0.00 H new ATOM 1925 N GLN B 52 -2.776 9.903 -10.001 1.00 0.00 N ATOM 1926 CA GLN B 52 -3.609 11.054 -10.331 1.00 0.00 C ATOM 1927 C GLN B 52 -4.923 11.014 -9.553 1.00 0.00 C ATOM 1928 O GLN B 52 -5.516 12.055 -9.266 1.00 0.00 O ATOM 1929 CB GLN B 52 -3.866 11.095 -11.848 1.00 0.00 C ATOM 1930 CG GLN B 52 -5.337 11.107 -12.240 1.00 0.00 C ATOM 1931 CD GLN B 52 -5.543 11.284 -13.732 1.00 0.00 C ATOM 1932 OE1 GLN B 52 -5.584 12.406 -14.236 1.00 0.00 O ATOM 1933 NE2 GLN B 52 -5.672 10.173 -14.447 1.00 0.00 N ATOM 0 H GLN B 52 -2.635 9.249 -10.771 1.00 0.00 H new ATOM 0 HA GLN B 52 -3.083 11.964 -10.042 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -3.386 11.982 -12.261 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -3.388 10.230 -12.308 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -5.801 10.174 -11.921 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -5.844 11.913 -11.709 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -5.632 9.263 -13.988 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -5.811 10.229 -15.456 1.00 0.00 H new ATOM 1942 N TRP B 53 -5.373 9.809 -9.220 1.00 0.00 N ATOM 1943 CA TRP B 53 -6.618 9.634 -8.479 1.00 0.00 C ATOM 1944 C TRP B 53 -6.590 10.417 -7.169 1.00 0.00 C ATOM 1945 O TRP B 53 -7.583 11.031 -6.778 1.00 0.00 O ATOM 1946 CB TRP B 53 -6.862 8.151 -8.192 1.00 0.00 C ATOM 1947 CG TRP B 53 -7.194 7.355 -9.416 1.00 0.00 C ATOM 1948 CD1 TRP B 53 -6.685 7.530 -10.672 1.00 0.00 C ATOM 1949 CD2 TRP B 53 -8.109 6.257 -9.504 1.00 0.00 C ATOM 1950 NE1 TRP B 53 -7.228 6.607 -11.533 1.00 0.00 N ATOM 1951 CE2 TRP B 53 -8.104 5.814 -10.840 1.00 0.00 C ATOM 1952 CE3 TRP B 53 -8.931 5.604 -8.580 1.00 0.00 C ATOM 1953 CZ2 TRP B 53 -8.891 4.750 -11.274 1.00 0.00 C ATOM 1954 CZ3 TRP B 53 -9.710 4.548 -9.012 1.00 0.00 C ATOM 1955 CH2 TRP B 53 -9.685 4.130 -10.349 1.00 0.00 C ATOM 0 H TRP B 53 -4.894 8.938 -9.451 1.00 0.00 H new ATOM 0 HA TRP B 53 -7.432 10.018 -9.094 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -5.974 7.728 -7.723 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -7.677 8.057 -7.474 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -5.962 8.283 -10.948 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -7.014 6.526 -12.527 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -8.956 5.920 -7.547 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -8.875 4.426 -12.304 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -10.349 4.036 -8.307 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -10.306 3.301 -10.656 1.00 0.00 H new ATOM 1966 N PHE B 54 -5.444 10.390 -6.495 1.00 0.00 N ATOM 1967 CA PHE B 54 -5.286 11.095 -5.228 1.00 0.00 C ATOM 1968 C PHE B 54 -4.908 12.557 -5.458 1.00 0.00 C ATOM 1969 O PHE B 54 -5.153 13.410 -4.605 1.00 0.00 O ATOM 1970 CB PHE B 54 -4.221 10.411 -4.370 1.00 0.00 C ATOM 1971 CG PHE B 54 -4.573 9.001 -3.987 1.00 0.00 C ATOM 1972 CD1 PHE B 54 -5.279 8.741 -2.824 1.00 0.00 C ATOM 1973 CD2 PHE B 54 -4.199 7.938 -4.792 1.00 0.00 C ATOM 1974 CE1 PHE B 54 -5.606 7.445 -2.470 1.00 0.00 C ATOM 1975 CE2 PHE B 54 -4.522 6.639 -4.442 1.00 0.00 C ATOM 1976 CZ PHE B 54 -5.227 6.394 -3.280 1.00 0.00 C ATOM 0 H PHE B 54 -4.612 9.888 -6.805 1.00 0.00 H new ATOM 0 HA PHE B 54 -6.241 11.065 -4.704 1.00 0.00 H new ATOM 0 HB2 PHE B 54 -3.276 10.406 -4.914 1.00 0.00 H new ATOM 0 HB3 PHE B 54 -4.065 10.997 -3.464 1.00 0.00 H new ATOM 0 HD1 PHE B 54 -5.577 9.560 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE B 54 -3.649 8.125 -5.703 1.00 0.00 H new ATOM 0 HE1 PHE B 54 -6.157 7.256 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE B 54 -4.223 5.818 -5.077 1.00 0.00 H new ATOM 0 HZ PHE B 54 -5.481 5.381 -3.006 1.00 0.00 H new ATOM 1986 N THR B 55 -4.311 12.840 -6.611 1.00 0.00 N ATOM 1987 CA THR B 55 -3.903 14.196 -6.947 1.00 0.00 C ATOM 1988 C THR B 55 -5.106 15.040 -7.366 1.00 0.00 C ATOM 1989 O THR B 55 -5.238 16.194 -6.958 1.00 0.00 O ATOM 1990 CB THR B 55 -2.842 14.161 -8.050 1.00 0.00 C ATOM 1991 OG1 THR B 55 -1.549 14.362 -7.505 1.00 0.00 O ATOM 1992 CG2 THR B 55 -3.045 15.193 -9.136 1.00 0.00 C ATOM 0 H THR B 55 -4.099 12.146 -7.328 1.00 0.00 H new ATOM 0 HA THR B 55 -3.469 14.662 -6.062 1.00 0.00 H new ATOM 0 HB THR B 55 -2.941 13.173 -8.501 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.883 14.335 -8.224 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.252 15.101 -9.878 1.00 0.00 H new ATOM 0 HG22 THR B 55 -4.011 15.032 -9.615 1.00 0.00 H new ATOM 0 HG23 THR B 55 -3.019 16.191 -8.699 1.00 0.00 H new ATOM 2000 N GLU B 56 -5.976 14.456 -8.181 1.00 0.00 N ATOM 2001 CA GLU B 56 -7.166 15.155 -8.652 1.00 0.00 C ATOM 2002 C GLU B 56 -8.087 15.512 -7.490 1.00 0.00 C ATOM 2003 O GLU B 56 -8.324 14.695 -6.600 1.00 0.00 O ATOM 2004 CB GLU B 56 -7.920 14.294 -9.669 1.00 0.00 C ATOM 2005 CG GLU B 56 -7.154 14.069 -10.962 1.00 0.00 C ATOM 2006 CD GLU B 56 -6.889 15.357 -11.716 1.00 0.00 C ATOM 2007 OE1 GLU B 56 -7.572 16.363 -11.432 1.00 0.00 O ATOM 2008 OE2 GLU B 56 -5.998 15.360 -12.592 1.00 0.00 O ATOM 0 H GLU B 56 -5.881 13.502 -8.529 1.00 0.00 H new ATOM 0 HA GLU B 56 -6.845 16.079 -9.133 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -8.146 13.328 -9.218 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -8.873 14.770 -9.899 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -6.205 13.582 -10.737 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -7.718 13.389 -11.600 1.00 0.00 H new ATOM 2015 N ASP B 57 -8.602 16.737 -7.504 1.00 0.00 N ATOM 2016 CA ASP B 57 -9.496 17.202 -6.450 1.00 0.00 C ATOM 2017 C ASP B 57 -10.684 17.960 -7.041 1.00 0.00 C ATOM 2018 O ASP B 57 -10.735 19.189 -6.987 1.00 0.00 O ATOM 2019 CB ASP B 57 -8.739 18.098 -5.469 1.00 0.00 C ATOM 2020 CG ASP B 57 -9.252 17.963 -4.049 1.00 0.00 C ATOM 2021 OD1 ASP B 57 -9.121 16.862 -3.472 1.00 0.00 O ATOM 2022 OD2 ASP B 57 -9.784 18.957 -3.513 1.00 0.00 O ATOM 0 H ASP B 57 -8.416 17.425 -8.233 1.00 0.00 H new ATOM 0 HA ASP B 57 -9.874 16.330 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -7.679 17.846 -5.495 1.00 0.00 H new ATOM 0 HB3 ASP B 57 -8.828 19.137 -5.787 1.00 0.00 H new ATOM 2027 N PRO B 58 -11.658 17.234 -7.613 1.00 0.00 N ATOM 2028 CA PRO B 58 -12.850 17.844 -8.213 1.00 0.00 C ATOM 2029 C PRO B 58 -13.781 18.446 -7.167 1.00 0.00 C ATOM 2030 O PRO B 58 -14.723 19.167 -7.559 1.00 0.00 O ATOM 2031 CB PRO B 58 -13.529 16.674 -8.926 1.00 0.00 C ATOM 2032 CG PRO B 58 -13.077 15.465 -8.183 1.00 0.00 C ATOM 2033 CD PRO B 58 -11.677 15.762 -7.719 1.00 0.00 C ATOM 0 HA PRO B 58 -12.595 18.671 -8.875 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -14.614 16.771 -8.901 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -13.237 16.626 -9.975 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -13.733 15.259 -7.337 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -13.097 14.583 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -11.462 15.287 -6.762 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -10.933 15.400 -8.429 1.00 0.00 H new TER 2041 PRO B 58