USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 752 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 16 ASN : amide:sc= -0.137 K(o=-0.13,f=-0.78) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -140:sc= 0.00885 (180deg=0) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= -0.312 USER MOD Set 2.2: A 40 ASN : amide:sc= -1.37 X(o=-2.3,f=-2.7!) USER MOD Set 2.3: A 59 GLN : amide:sc= -0.578 X(o=-2.3,f=-2.4) USER MOD Set 3.1: A 1 MET N :NH3+ 164:sc= -1.13 (180deg=-0.167) USER MOD Set 3.2: A 3 HIS : no HD1:sc= -0.88 K(o=-2,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.8!) USER MOD Single : A 5 HIS : no HE2:sc= -4.53! C(o=-4.5!,f=-7.1!) USER MOD Single : A 6 HIS : no HE2:sc= -0.625 K(o=-0.62,f=-6.1!) USER MOD Single : A 7 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-0.00053) USER MOD Single : A 8 HIS : no HD1:sc= -1.86! C(o=-1.9!,f=-3.4!) USER MOD Single : A 9 MET CE :methyl 156:sc= -0.0713 (180deg=-1.25) USER MOD Single : A 20 HIS : no HD1:sc= -1.17! C(o=-1.2!,f=-1!) USER MOD Single : A 21 THR OG1 : rot 83:sc= -0.331 USER MOD Single : A 25 SER OG : rot 180:sc= -0.345 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.463 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00835 USER MOD Single : A 39 ASN : amide:sc= 0.71 K(o=0.71,f=-3.1!) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.33 (180deg=-0.694) USER MOD Single : A 47 LYS NZ :NH3+ 149:sc= -0.0225 (180deg=-0.507) USER MOD Single : A 48 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.044) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0024 USER MOD Single : A 50 GLN : amide:sc= -10.7! C(o=-11!,f=-3.3!) USER MOD Single : A 51 GLN : amide:sc= -3.69! C(o=-3.7!,f=-2.5!) USER MOD Single : A 52 ASN : amide:sc= -4.5! C(o=-4.5!,f=-8.6!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -19:sc= 0.966 USER MOD Single : A 68 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.0066) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -5.04! C(o=-5!,f=-5.4!) USER MOD Single : A 75 SER OG : rot 88:sc= 1.05 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -109:sc= -0.179 (180deg=-0.944) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.0128 (180deg=-0.339) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.944 19.333 -11.739 1.00 1.00 N ATOM 2 CA MET A 1 12.645 20.758 -12.063 1.00 1.00 C ATOM 3 C MET A 1 11.409 21.205 -11.292 1.00 1.00 C ATOM 4 O MET A 1 10.869 22.283 -11.537 1.00 1.00 O ATOM 5 CB MET A 1 12.399 20.895 -13.568 1.00 1.00 C ATOM 6 CG MET A 1 12.916 22.251 -14.049 1.00 1.00 C ATOM 7 SD MET A 1 14.724 22.222 -14.108 1.00 1.00 S ATOM 8 CE MET A 1 14.912 23.035 -15.714 1.00 1.00 C ATOM 0 H1 MET A 1 13.601 18.946 -12.447 1.00 1.00 H new ATOM 0 H2 MET A 1 13.378 19.275 -10.796 1.00 1.00 H new ATOM 0 H3 MET A 1 12.062 18.782 -11.748 1.00 1.00 H new ATOM 0 HA MET A 1 13.490 21.385 -11.778 1.00 1.00 H new ATOM 0 HB2 MET A 1 12.903 20.091 -14.104 1.00 1.00 H new ATOM 0 HB3 MET A 1 11.334 20.803 -13.783 1.00 1.00 H new ATOM 0 HG2 MET A 1 12.513 22.476 -15.036 1.00 1.00 H new ATOM 0 HG3 MET A 1 12.576 23.040 -13.378 1.00 1.00 H new ATOM 0 HE1 MET A 1 15.971 23.123 -15.955 1.00 1.00 H new ATOM 0 HE2 MET A 1 14.413 22.444 -16.482 1.00 1.00 H new ATOM 0 HE3 MET A 1 14.465 24.028 -15.674 1.00 1.00 H new ATOM 20 N GLY A 2 10.967 20.370 -10.358 1.00 1.00 N ATOM 21 CA GLY A 2 9.792 20.689 -9.554 1.00 1.00 C ATOM 22 C GLY A 2 9.117 19.420 -9.047 1.00 1.00 C ATOM 23 O GLY A 2 7.969 19.450 -8.603 1.00 1.00 O ATOM 0 H GLY A 2 11.401 19.473 -10.140 1.00 1.00 H new ATOM 0 HA2 GLY A 2 10.083 21.313 -8.709 1.00 1.00 H new ATOM 0 HA3 GLY A 2 9.086 21.268 -10.149 1.00 1.00 H new ATOM 27 N HIS A 3 9.837 18.305 -9.116 1.00 1.00 N ATOM 28 CA HIS A 3 9.296 17.029 -8.661 1.00 1.00 C ATOM 29 C HIS A 3 9.586 16.823 -7.178 1.00 1.00 C ATOM 30 O HIS A 3 8.996 15.952 -6.536 1.00 1.00 O ATOM 31 CB HIS A 3 9.912 15.883 -9.466 1.00 1.00 C ATOM 32 CG HIS A 3 11.403 16.065 -9.536 1.00 1.00 C ATOM 33 ND1 HIS A 3 12.016 16.763 -10.566 1.00 1.00 N ATOM 34 CD2 HIS A 3 12.419 15.644 -8.713 1.00 1.00 C ATOM 35 CE1 HIS A 3 13.341 16.744 -10.337 1.00 1.00 C ATOM 36 NE2 HIS A 3 13.641 16.074 -9.221 1.00 1.00 N ATOM 0 H HIS A 3 10.789 18.258 -9.479 1.00 1.00 H new ATOM 0 HA HIS A 3 8.216 17.040 -8.811 1.00 1.00 H new ATOM 0 HB2 HIS A 3 9.673 14.927 -9.000 1.00 1.00 H new ATOM 0 HB3 HIS A 3 9.490 15.862 -10.471 1.00 1.00 H new ATOM 0 HD2 HIS A 3 12.289 15.067 -7.809 1.00 1.00 H new ATOM 0 HE1 HIS A 3 14.073 17.213 -10.977 1.00 1.00 H new ATOM 0 HE2 HIS A 3 14.567 15.912 -8.826 1.00 1.00 H new ATOM 44 N HIS A 4 10.496 17.628 -6.640 1.00 1.00 N ATOM 45 CA HIS A 4 10.855 17.524 -5.230 1.00 1.00 C ATOM 46 C HIS A 4 9.672 17.906 -4.347 1.00 1.00 C ATOM 47 O HIS A 4 8.925 18.833 -4.659 1.00 1.00 O ATOM 48 CB HIS A 4 12.040 18.442 -4.926 1.00 1.00 C ATOM 49 CG HIS A 4 11.751 19.243 -3.686 1.00 1.00 C ATOM 50 ND1 HIS A 4 10.923 20.353 -3.700 1.00 1.00 N ATOM 51 CD2 HIS A 4 12.175 19.107 -2.386 1.00 1.00 C ATOM 52 CE1 HIS A 4 10.873 20.838 -2.446 1.00 1.00 C ATOM 53 NE2 HIS A 4 11.618 20.117 -1.605 1.00 1.00 N ATOM 0 H HIS A 4 10.995 18.354 -7.154 1.00 1.00 H new ATOM 0 HA HIS A 4 11.132 16.491 -5.019 1.00 1.00 H new ATOM 0 HB2 HIS A 4 12.945 17.851 -4.787 1.00 1.00 H new ATOM 0 HB3 HIS A 4 12.222 19.109 -5.768 1.00 1.00 H new ATOM 0 HD2 HIS A 4 12.839 18.335 -2.025 1.00 1.00 H new ATOM 0 HE1 HIS A 4 10.300 21.706 -2.155 1.00 1.00 H new ATOM 0 HE2 HIS A 4 11.751 20.272 -0.606 1.00 1.00 H new ATOM 61 N HIS A 5 9.509 17.186 -3.242 1.00 1.00 N ATOM 62 CA HIS A 5 8.413 17.456 -2.318 1.00 1.00 C ATOM 63 C HIS A 5 8.903 17.399 -0.875 1.00 1.00 C ATOM 64 O HIS A 5 10.040 17.007 -0.611 1.00 1.00 O ATOM 65 CB HIS A 5 7.294 16.433 -2.523 1.00 1.00 C ATOM 66 CG HIS A 5 6.984 16.317 -3.990 1.00 1.00 C ATOM 67 ND1 HIS A 5 6.666 17.419 -4.768 1.00 1.00 N ATOM 68 CD2 HIS A 5 6.937 15.235 -4.835 1.00 1.00 C ATOM 69 CE1 HIS A 5 6.444 16.981 -6.020 1.00 1.00 C ATOM 70 NE2 HIS A 5 6.597 15.658 -6.116 1.00 1.00 N ATOM 0 H HIS A 5 10.118 16.416 -2.965 1.00 1.00 H new ATOM 0 HA HIS A 5 8.030 18.457 -2.519 1.00 1.00 H new ATOM 0 HB2 HIS A 5 7.596 15.464 -2.126 1.00 1.00 H new ATOM 0 HB3 HIS A 5 6.403 16.738 -1.975 1.00 1.00 H new ATOM 0 HD1 HIS A 5 6.610 18.386 -4.449 1.00 1.00 H new ATOM 0 HD2 HIS A 5 7.134 14.212 -4.549 1.00 1.00 H new ATOM 0 HE1 HIS A 5 6.175 17.621 -6.847 1.00 1.00 H new ATOM 78 N HIS A 6 8.038 17.790 0.055 1.00 1.00 N ATOM 79 CA HIS A 6 8.395 17.778 1.469 1.00 1.00 C ATOM 80 C HIS A 6 7.149 17.639 2.337 1.00 1.00 C ATOM 81 O HIS A 6 6.857 18.503 3.165 1.00 1.00 O ATOM 82 CB HIS A 6 9.131 19.069 1.832 1.00 1.00 C ATOM 83 CG HIS A 6 9.755 18.926 3.193 1.00 1.00 C ATOM 84 ND1 HIS A 6 9.014 18.589 4.314 1.00 1.00 N ATOM 85 CD2 HIS A 6 11.049 19.072 3.628 1.00 1.00 C ATOM 86 CE1 HIS A 6 9.860 18.543 5.361 1.00 1.00 C ATOM 87 NE2 HIS A 6 11.113 18.830 4.998 1.00 1.00 N ATOM 0 H HIS A 6 7.092 18.117 -0.142 1.00 1.00 H new ATOM 0 HA HIS A 6 9.047 16.924 1.652 1.00 1.00 H new ATOM 0 HB2 HIS A 6 9.899 19.283 1.089 1.00 1.00 H new ATOM 0 HB3 HIS A 6 8.437 19.910 1.825 1.00 1.00 H new ATOM 0 HD1 HIS A 6 8.010 18.409 4.341 1.00 1.00 H new ATOM 0 HD2 HIS A 6 11.890 19.335 3.003 1.00 1.00 H new ATOM 0 HE1 HIS A 6 9.562 18.303 6.371 1.00 1.00 H new ATOM 95 N HIS A 7 6.418 16.546 2.144 1.00 1.00 N ATOM 96 CA HIS A 7 5.204 16.303 2.916 1.00 1.00 C ATOM 97 C HIS A 7 5.462 15.271 4.009 1.00 1.00 C ATOM 98 O HIS A 7 6.577 14.767 4.149 1.00 1.00 O ATOM 99 CB HIS A 7 4.090 15.804 1.994 1.00 1.00 C ATOM 100 CG HIS A 7 3.643 16.924 1.094 1.00 1.00 C ATOM 101 ND1 HIS A 7 2.335 17.381 1.078 1.00 1.00 N ATOM 102 CD2 HIS A 7 4.318 17.685 0.174 1.00 1.00 C ATOM 103 CE1 HIS A 7 2.265 18.375 0.175 1.00 1.00 C ATOM 104 NE2 HIS A 7 3.445 18.602 -0.405 1.00 1.00 N ATOM 0 H HIS A 7 6.642 15.819 1.465 1.00 1.00 H new ATOM 0 HA HIS A 7 4.898 17.240 3.381 1.00 1.00 H new ATOM 0 HB2 HIS A 7 4.446 14.964 1.397 1.00 1.00 H new ATOM 0 HB3 HIS A 7 3.249 15.441 2.585 1.00 1.00 H new ATOM 0 HD2 HIS A 7 5.367 17.588 -0.065 1.00 1.00 H new ATOM 0 HE1 HIS A 7 1.363 18.923 -0.053 1.00 1.00 H new ATOM 0 HE2 HIS A 7 3.661 19.298 -1.119 1.00 1.00 H new ATOM 112 N HIS A 8 4.424 14.964 4.782 1.00 1.00 N ATOM 113 CA HIS A 8 4.549 13.991 5.862 1.00 1.00 C ATOM 114 C HIS A 8 3.884 12.672 5.477 1.00 1.00 C ATOM 115 O HIS A 8 4.525 11.620 5.477 1.00 1.00 O ATOM 116 CB HIS A 8 3.897 14.539 7.133 1.00 1.00 C ATOM 117 CG HIS A 8 4.149 13.590 8.273 1.00 1.00 C ATOM 118 ND1 HIS A 8 3.753 12.262 8.231 1.00 1.00 N ATOM 119 CD2 HIS A 8 4.759 13.760 9.492 1.00 1.00 C ATOM 120 CE1 HIS A 8 4.124 11.690 9.390 1.00 1.00 C ATOM 121 NE2 HIS A 8 4.741 12.559 10.196 1.00 1.00 N ATOM 0 H HIS A 8 3.494 15.371 4.682 1.00 1.00 H new ATOM 0 HA HIS A 8 5.609 13.811 6.043 1.00 1.00 H new ATOM 0 HB2 HIS A 8 4.303 15.523 7.368 1.00 1.00 H new ATOM 0 HB3 HIS A 8 2.825 14.665 6.980 1.00 1.00 H new ATOM 0 HD2 HIS A 8 5.187 14.685 9.850 1.00 1.00 H new ATOM 0 HE1 HIS A 8 3.945 10.654 9.639 1.00 1.00 H new ATOM 0 HE2 HIS A 8 5.118 12.381 11.127 1.00 1.00 H new ATOM 129 N MET A 9 2.598 12.734 5.152 1.00 1.00 N ATOM 130 CA MET A 9 1.857 11.539 4.769 1.00 1.00 C ATOM 131 C MET A 9 2.147 11.167 3.320 1.00 1.00 C ATOM 132 O MET A 9 1.781 11.893 2.396 1.00 1.00 O ATOM 133 CB MET A 9 0.357 11.775 4.947 1.00 1.00 C ATOM 134 CG MET A 9 -0.431 10.716 4.173 1.00 1.00 C ATOM 135 SD MET A 9 -2.126 10.645 4.804 1.00 1.00 S ATOM 136 CE MET A 9 -2.968 10.761 3.207 1.00 1.00 C ATOM 0 H MET A 9 2.050 13.594 5.146 1.00 1.00 H new ATOM 0 HA MET A 9 2.174 10.718 5.412 1.00 1.00 H new ATOM 0 HB2 MET A 9 0.096 11.734 6.005 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.092 12.771 4.591 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.437 10.957 3.110 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.048 9.743 4.277 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.963 10.323 3.288 1.00 1.00 H new ATOM 0 HE2 MET A 9 -3.055 11.808 2.917 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.394 10.222 2.453 1.00 1.00 H new ATOM 146 N ASP A 10 2.809 10.033 3.132 1.00 1.00 N ATOM 147 CA ASP A 10 3.146 9.567 1.793 1.00 1.00 C ATOM 148 C ASP A 10 3.645 8.126 1.836 1.00 1.00 C ATOM 149 O ASP A 10 4.608 7.771 1.158 1.00 1.00 O ATOM 150 CB ASP A 10 4.226 10.465 1.183 1.00 1.00 C ATOM 151 CG ASP A 10 5.548 10.259 1.913 1.00 1.00 C ATOM 152 OD1 ASP A 10 5.727 10.867 2.955 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.361 9.494 1.421 1.00 1.00 O ATOM 0 H ASP A 10 3.122 9.421 3.886 1.00 1.00 H new ATOM 0 HA ASP A 10 2.247 9.610 1.178 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.346 10.236 0.124 1.00 1.00 H new ATOM 0 HB3 ASP A 10 3.923 11.510 1.250 1.00 1.00 H new ATOM 158 N THR A 11 2.981 7.302 2.639 1.00 1.00 N ATOM 159 CA THR A 11 3.363 5.900 2.766 1.00 1.00 C ATOM 160 C THR A 11 2.154 5.054 3.153 1.00 1.00 C ATOM 161 O THR A 11 1.286 5.504 3.902 1.00 1.00 O ATOM 162 CB THR A 11 4.454 5.757 3.833 1.00 1.00 C ATOM 163 OG1 THR A 11 5.486 6.699 3.579 1.00 1.00 O ATOM 164 CG2 THR A 11 5.034 4.341 3.800 1.00 1.00 C ATOM 0 H THR A 11 2.181 7.578 3.208 1.00 1.00 H new ATOM 0 HA THR A 11 3.744 5.551 1.806 1.00 1.00 H new ATOM 0 HB THR A 11 4.022 5.942 4.817 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.184 6.611 4.261 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.809 4.247 4.561 1.00 1.00 H new ATOM 0 HG22 THR A 11 4.242 3.619 3.998 1.00 1.00 H new ATOM 0 HG23 THR A 11 5.465 4.147 2.818 1.00 1.00 H new ATOM 172 N ILE A 12 2.106 3.826 2.640 1.00 1.00 N ATOM 173 CA ILE A 12 1.002 2.919 2.937 1.00 1.00 C ATOM 174 C ILE A 12 1.507 1.703 3.705 1.00 1.00 C ATOM 175 O ILE A 12 2.711 1.445 3.752 1.00 1.00 O ATOM 176 CB ILE A 12 0.338 2.464 1.638 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.620 3.488 0.536 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.173 2.346 1.848 1.00 1.00 C ATOM 179 CD1 ILE A 12 -0.307 3.227 -0.654 1.00 1.00 C ATOM 0 H ILE A 12 2.816 3.438 2.019 1.00 1.00 H new ATOM 0 HA ILE A 12 0.273 3.448 3.551 1.00 1.00 H new ATOM 0 HB ILE A 12 0.740 1.494 1.347 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.466 4.498 0.916 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.661 3.421 0.221 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.645 2.021 0.921 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.375 1.617 2.633 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -1.576 3.315 2.141 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.106 3.956 -1.439 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.131 2.222 -1.039 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -1.345 3.316 -0.333 1.00 1.00 H new ATOM 191 N ILE A 13 0.585 0.961 4.304 1.00 1.00 N ATOM 192 CA ILE A 13 0.960 -0.227 5.064 1.00 1.00 C ATOM 193 C ILE A 13 -0.100 -1.317 4.927 1.00 1.00 C ATOM 194 O ILE A 13 -1.299 -1.041 4.954 1.00 1.00 O ATOM 195 CB ILE A 13 1.159 0.123 6.541 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.128 -0.882 7.170 1.00 1.00 C ATOM 197 CG2 ILE A 13 -0.183 0.069 7.280 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.006 -0.835 8.695 1.00 1.00 C ATOM 0 H ILE A 13 -0.416 1.156 4.280 1.00 1.00 H new ATOM 0 HA ILE A 13 1.899 -0.603 4.659 1.00 1.00 H new ATOM 0 HB ILE A 13 1.567 1.131 6.620 1.00 1.00 H new ATOM 0 HG12 ILE A 13 1.909 -1.887 6.809 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.150 -0.652 6.871 1.00 1.00 H new ATOM 0 HG21 ILE A 13 -0.031 0.319 8.330 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.874 0.784 6.833 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.600 -0.935 7.203 1.00 1.00 H new ATOM 0 HD11 ILE A 13 2.698 -1.552 9.138 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.247 0.167 9.049 1.00 1.00 H new ATOM 0 HD13 ILE A 13 0.986 -1.087 8.986 1.00 1.00 H new ATOM 210 N LEU A 14 0.355 -2.555 4.778 1.00 1.00 N ATOM 211 CA LEU A 14 -0.553 -3.685 4.640 1.00 1.00 C ATOM 212 C LEU A 14 -0.772 -4.352 5.996 1.00 1.00 C ATOM 213 O LEU A 14 0.165 -4.509 6.778 1.00 1.00 O ATOM 214 CB LEU A 14 0.023 -4.700 3.646 1.00 1.00 C ATOM 215 CG LEU A 14 0.847 -3.972 2.581 1.00 1.00 C ATOM 216 CD1 LEU A 14 1.321 -4.977 1.530 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.017 -2.903 1.908 1.00 1.00 C ATOM 0 H LEU A 14 1.345 -2.801 4.750 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.511 -3.324 4.266 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.648 -5.423 4.171 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.785 -5.260 3.174 1.00 1.00 H new ATOM 0 HG LEU A 14 1.710 -3.500 3.050 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.908 -4.460 0.771 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.936 -5.740 2.007 1.00 1.00 H new ATOM 0 HD13 LEU A 14 0.457 -5.449 1.062 1.00 1.00 H new ATOM 0 HD21 LEU A 14 0.570 -2.385 1.150 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -0.880 -3.375 1.439 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.357 -2.186 2.656 1.00 1.00 H new ATOM 229 N ARG A 15 -2.021 -4.729 6.271 1.00 1.00 N ATOM 230 CA ARG A 15 -2.364 -5.365 7.541 1.00 1.00 C ATOM 231 C ARG A 15 -3.067 -6.697 7.304 1.00 1.00 C ATOM 232 O ARG A 15 -3.745 -6.880 6.294 1.00 1.00 O ATOM 233 CB ARG A 15 -3.276 -4.426 8.344 1.00 1.00 C ATOM 234 CG ARG A 15 -4.120 -5.217 9.348 1.00 1.00 C ATOM 235 CD ARG A 15 -4.697 -4.255 10.393 1.00 1.00 C ATOM 236 NE ARG A 15 -3.867 -4.265 11.592 1.00 1.00 N ATOM 237 CZ ARG A 15 -4.003 -3.336 12.533 1.00 1.00 C ATOM 238 NH1 ARG A 15 -4.902 -2.399 12.400 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.239 -3.361 13.590 1.00 1.00 N ATOM 0 H ARG A 15 -2.808 -4.605 5.634 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.449 -5.558 8.101 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.672 -3.688 8.871 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.929 -3.877 7.665 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.926 -5.738 8.832 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.509 -5.977 9.835 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.746 -3.246 9.983 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.717 -4.547 10.644 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.169 -4.999 11.711 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.500 -2.380 11.574 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.006 -1.686 13.122 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.537 -4.094 13.695 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.344 -2.648 14.312 1.00 1.00 H new ATOM 253 N ASN A 16 -2.895 -7.622 8.247 1.00 1.00 N ATOM 254 CA ASN A 16 -3.513 -8.942 8.152 1.00 1.00 C ATOM 255 C ASN A 16 -2.985 -9.701 6.940 1.00 1.00 C ATOM 256 O ASN A 16 -3.755 -10.139 6.084 1.00 1.00 O ATOM 257 CB ASN A 16 -5.033 -8.804 8.055 1.00 1.00 C ATOM 258 CG ASN A 16 -5.697 -10.164 8.235 1.00 1.00 C ATOM 259 OD1 ASN A 16 -5.511 -10.815 9.262 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.475 -10.628 7.296 1.00 1.00 N ATOM 0 H ASN A 16 -2.332 -7.481 9.086 1.00 1.00 H new ATOM 0 HA ASN A 16 -3.259 -9.504 9.051 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.392 -8.112 8.817 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -5.306 -8.383 7.088 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.931 -11.533 7.412 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.627 -10.086 6.446 1.00 1.00 H new ATOM 267 N ILE A 17 -1.666 -9.854 6.874 1.00 1.00 N ATOM 268 CA ILE A 17 -1.042 -10.563 5.765 1.00 1.00 C ATOM 269 C ILE A 17 -0.734 -12.003 6.160 1.00 1.00 C ATOM 270 O ILE A 17 -0.516 -12.299 7.335 1.00 1.00 O ATOM 271 CB ILE A 17 0.255 -9.861 5.350 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.133 -8.342 5.567 1.00 1.00 C ATOM 273 CG2 ILE A 17 0.543 -10.150 3.876 1.00 1.00 C ATOM 274 CD1 ILE A 17 -1.037 -7.776 4.754 1.00 1.00 C ATOM 0 H ILE A 17 -1.013 -9.498 7.572 1.00 1.00 H new ATOM 0 HA ILE A 17 -1.737 -10.563 4.925 1.00 1.00 H new ATOM 0 HB ILE A 17 1.074 -10.238 5.963 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -0.016 -8.131 6.626 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.060 -7.851 5.272 1.00 1.00 H new ATOM 0 HG21 ILE A 17 1.466 -9.650 3.581 1.00 1.00 H new ATOM 0 HG22 ILE A 17 0.650 -11.225 3.730 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -0.281 -9.781 3.265 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -1.109 -6.701 4.919 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -0.871 -7.970 3.694 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -1.964 -8.254 5.070 1.00 1.00 H new ATOM 286 N ALA A 18 -0.720 -12.895 5.175 1.00 1.00 N ATOM 287 CA ALA A 18 -0.441 -14.301 5.442 1.00 1.00 C ATOM 288 C ALA A 18 1.065 -14.573 5.397 1.00 1.00 C ATOM 289 O ALA A 18 1.821 -13.805 4.802 1.00 1.00 O ATOM 290 CB ALA A 18 -1.150 -15.180 4.409 1.00 1.00 C ATOM 0 H ALA A 18 -0.896 -12.673 4.195 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.811 -14.540 6.439 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.936 -16.229 4.616 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -2.225 -15.011 4.464 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.794 -14.927 3.410 1.00 1.00 H new ATOM 296 N PRO A 19 1.511 -15.645 6.009 1.00 1.00 N ATOM 297 CA PRO A 19 2.958 -16.015 6.030 1.00 1.00 C ATOM 298 C PRO A 19 3.434 -16.580 4.691 1.00 1.00 C ATOM 299 O PRO A 19 4.576 -17.025 4.568 1.00 1.00 O ATOM 300 CB PRO A 19 3.034 -17.087 7.119 1.00 1.00 C ATOM 301 CG PRO A 19 1.684 -17.720 7.129 1.00 1.00 C ATOM 302 CD PRO A 19 0.692 -16.624 6.748 1.00 1.00 C ATOM 0 HA PRO A 19 3.596 -15.151 6.217 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.812 -17.819 6.900 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.272 -16.649 8.088 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.638 -18.548 6.422 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.453 -18.128 8.113 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -0.117 -17.015 6.131 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.233 -16.176 7.630 1.00 1.00 H new ATOM 310 N HIS A 20 2.549 -16.570 3.698 1.00 1.00 N ATOM 311 CA HIS A 20 2.883 -17.095 2.375 1.00 1.00 C ATOM 312 C HIS A 20 3.055 -15.965 1.363 1.00 1.00 C ATOM 313 O HIS A 20 2.979 -16.185 0.154 1.00 1.00 O ATOM 314 CB HIS A 20 1.774 -18.035 1.901 1.00 1.00 C ATOM 315 CG HIS A 20 2.154 -18.636 0.576 1.00 1.00 C ATOM 316 ND1 HIS A 20 3.260 -19.458 0.426 1.00 1.00 N ATOM 317 CD2 HIS A 20 1.586 -18.542 -0.672 1.00 1.00 C ATOM 318 CE1 HIS A 20 3.322 -19.823 -0.868 1.00 1.00 C ATOM 319 NE2 HIS A 20 2.326 -19.293 -1.581 1.00 1.00 N ATOM 0 H HIS A 20 1.600 -16.206 3.782 1.00 1.00 H new ATOM 0 HA HIS A 20 3.825 -17.638 2.451 1.00 1.00 H new ATOM 0 HB2 HIS A 20 1.613 -18.823 2.636 1.00 1.00 H new ATOM 0 HB3 HIS A 20 0.835 -17.489 1.808 1.00 1.00 H new ATOM 0 HD2 HIS A 20 0.700 -17.972 -0.911 1.00 1.00 H new ATOM 0 HE1 HIS A 20 4.085 -20.467 -1.280 1.00 1.00 H new ATOM 0 HE2 HIS A 20 2.146 -19.413 -2.578 1.00 1.00 H new ATOM 327 N THR A 21 3.285 -14.758 1.862 1.00 1.00 N ATOM 328 CA THR A 21 3.463 -13.603 0.991 1.00 1.00 C ATOM 329 C THR A 21 4.925 -13.458 0.580 1.00 1.00 C ATOM 330 O THR A 21 5.828 -13.641 1.396 1.00 1.00 O ATOM 331 CB THR A 21 2.996 -12.335 1.707 1.00 1.00 C ATOM 332 OG1 THR A 21 1.622 -12.468 2.042 1.00 1.00 O ATOM 333 CG2 THR A 21 3.187 -11.127 0.787 1.00 1.00 C ATOM 0 H THR A 21 3.353 -14.553 2.859 1.00 1.00 H new ATOM 0 HA THR A 21 2.864 -13.752 0.092 1.00 1.00 H new ATOM 0 HB THR A 21 3.581 -12.190 2.615 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.536 -12.978 2.875 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.854 -10.224 1.298 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.241 -11.030 0.529 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.602 -11.266 -0.122 1.00 1.00 H new ATOM 341 N VAL A 22 5.147 -13.126 -0.687 1.00 1.00 N ATOM 342 CA VAL A 22 6.503 -12.954 -1.197 1.00 1.00 C ATOM 343 C VAL A 22 6.600 -11.693 -2.048 1.00 1.00 C ATOM 344 O VAL A 22 5.674 -11.359 -2.789 1.00 1.00 O ATOM 345 CB VAL A 22 6.903 -14.169 -2.034 1.00 1.00 C ATOM 346 CG1 VAL A 22 7.657 -15.170 -1.157 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.645 -14.834 -2.599 1.00 1.00 C ATOM 0 H VAL A 22 4.411 -12.971 -1.376 1.00 1.00 H new ATOM 0 HA VAL A 22 7.181 -12.858 -0.349 1.00 1.00 H new ATOM 0 HB VAL A 22 7.546 -13.849 -2.853 1.00 1.00 H new ATOM 0 HG11 VAL A 22 7.941 -16.036 -1.755 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.553 -14.698 -0.753 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.015 -15.491 -0.337 1.00 1.00 H new ATOM 0 HG21 VAL A 22 5.929 -15.701 -3.196 1.00 1.00 H new ATOM 0 HG22 VAL A 22 5.002 -15.153 -1.778 1.00 1.00 H new ATOM 0 HG23 VAL A 22 5.107 -14.122 -3.225 1.00 1.00 H new ATOM 357 N VAL A 23 7.725 -10.996 -1.937 1.00 1.00 N ATOM 358 CA VAL A 23 7.932 -9.771 -2.702 1.00 1.00 C ATOM 359 C VAL A 23 7.517 -9.968 -4.157 1.00 1.00 C ATOM 360 O VAL A 23 7.222 -9.007 -4.865 1.00 1.00 O ATOM 361 CB VAL A 23 9.405 -9.362 -2.643 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.648 -8.182 -3.585 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.762 -8.952 -1.212 1.00 1.00 C ATOM 0 H VAL A 23 8.503 -11.255 -1.330 1.00 1.00 H new ATOM 0 HA VAL A 23 7.317 -8.985 -2.264 1.00 1.00 H new ATOM 0 HB VAL A 23 10.027 -10.203 -2.948 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.698 -7.892 -3.542 1.00 1.00 H new ATOM 0 HG12 VAL A 23 9.393 -8.472 -4.604 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.026 -7.340 -3.281 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.811 -8.660 -1.168 1.00 1.00 H new ATOM 0 HG22 VAL A 23 9.139 -8.111 -0.908 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.591 -9.792 -0.539 1.00 1.00 H new ATOM 373 N ASP A 24 7.500 -11.222 -4.596 1.00 1.00 N ATOM 374 CA ASP A 24 7.124 -11.539 -5.969 1.00 1.00 C ATOM 375 C ASP A 24 5.642 -11.266 -6.203 1.00 1.00 C ATOM 376 O ASP A 24 5.258 -10.711 -7.232 1.00 1.00 O ATOM 377 CB ASP A 24 7.426 -13.009 -6.264 1.00 1.00 C ATOM 378 CG ASP A 24 7.171 -13.312 -7.736 1.00 1.00 C ATOM 379 OD1 ASP A 24 6.021 -13.515 -8.089 1.00 1.00 O ATOM 380 OD2 ASP A 24 8.130 -13.346 -8.489 1.00 1.00 O ATOM 0 H ASP A 24 7.741 -12.032 -4.024 1.00 1.00 H new ATOM 0 HA ASP A 24 7.705 -10.904 -6.638 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.463 -13.233 -6.013 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.802 -13.649 -5.640 1.00 1.00 H new ATOM 385 N SER A 25 4.811 -11.662 -5.244 1.00 1.00 N ATOM 386 CA SER A 25 3.372 -11.458 -5.360 1.00 1.00 C ATOM 387 C SER A 25 3.015 -9.986 -5.174 1.00 1.00 C ATOM 388 O SER A 25 2.371 -9.382 -6.031 1.00 1.00 O ATOM 389 CB SER A 25 2.642 -12.297 -4.311 1.00 1.00 C ATOM 390 OG SER A 25 3.093 -13.642 -4.388 1.00 1.00 O ATOM 0 H SER A 25 5.107 -12.123 -4.384 1.00 1.00 H new ATOM 0 HA SER A 25 3.062 -11.768 -6.358 1.00 1.00 H new ATOM 0 HB2 SER A 25 2.827 -11.896 -3.315 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.566 -12.252 -4.478 1.00 1.00 H new ATOM 0 HG SER A 25 2.628 -14.182 -3.715 1.00 1.00 H new ATOM 396 N ILE A 26 3.432 -9.418 -4.048 1.00 1.00 N ATOM 397 CA ILE A 26 3.145 -8.017 -3.758 1.00 1.00 C ATOM 398 C ILE A 26 3.581 -7.122 -4.914 1.00 1.00 C ATOM 399 O ILE A 26 3.039 -6.036 -5.109 1.00 1.00 O ATOM 400 CB ILE A 26 3.871 -7.591 -2.480 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.255 -8.318 -1.274 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.747 -6.076 -2.298 1.00 1.00 C ATOM 403 CD1 ILE A 26 2.093 -7.501 -0.697 1.00 1.00 C ATOM 0 H ILE A 26 3.966 -9.901 -3.326 1.00 1.00 H new ATOM 0 HA ILE A 26 2.069 -7.910 -3.622 1.00 1.00 H new ATOM 0 HB ILE A 26 4.926 -7.854 -2.555 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.901 -9.303 -1.577 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.015 -8.474 -0.508 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.265 -5.775 -1.387 1.00 1.00 H new ATOM 0 HG22 ILE A 26 4.193 -5.569 -3.153 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.694 -5.803 -2.224 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.666 -8.028 0.156 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.458 -6.526 -0.376 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.327 -7.368 -1.461 1.00 1.00 H new ATOM 415 N MET A 27 4.566 -7.586 -5.678 1.00 1.00 N ATOM 416 CA MET A 27 5.068 -6.814 -6.810 1.00 1.00 C ATOM 417 C MET A 27 4.101 -6.893 -7.990 1.00 1.00 C ATOM 418 O MET A 27 3.577 -5.876 -8.445 1.00 1.00 O ATOM 419 CB MET A 27 6.438 -7.349 -7.238 1.00 1.00 C ATOM 420 CG MET A 27 7.533 -6.721 -6.373 1.00 1.00 C ATOM 421 SD MET A 27 8.185 -5.249 -7.199 1.00 1.00 S ATOM 422 CE MET A 27 9.328 -4.744 -5.891 1.00 1.00 C ATOM 0 H MET A 27 5.029 -8.484 -5.536 1.00 1.00 H new ATOM 0 HA MET A 27 5.160 -5.773 -6.501 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.462 -8.434 -7.140 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.616 -7.120 -8.289 1.00 1.00 H new ATOM 0 HG2 MET A 27 7.131 -6.454 -5.396 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.334 -7.440 -6.203 1.00 1.00 H new ATOM 0 HE1 MET A 27 9.849 -3.836 -6.194 1.00 1.00 H new ATOM 0 HE2 MET A 27 8.770 -4.553 -4.974 1.00 1.00 H new ATOM 0 HE3 MET A 27 10.054 -5.538 -5.716 1.00 1.00 H new ATOM 432 N THR A 28 3.873 -8.106 -8.482 1.00 1.00 N ATOM 433 CA THR A 28 2.975 -8.308 -9.612 1.00 1.00 C ATOM 434 C THR A 28 1.530 -8.003 -9.225 1.00 1.00 C ATOM 435 O THR A 28 0.702 -7.690 -10.080 1.00 1.00 O ATOM 436 CB THR A 28 3.076 -9.754 -10.104 1.00 1.00 C ATOM 437 OG1 THR A 28 4.424 -10.040 -10.452 1.00 1.00 O ATOM 438 CG2 THR A 28 2.180 -9.942 -11.331 1.00 1.00 C ATOM 0 H THR A 28 4.296 -8.960 -8.118 1.00 1.00 H new ATOM 0 HA THR A 28 3.273 -7.626 -10.408 1.00 1.00 H new ATOM 0 HB THR A 28 2.752 -10.431 -9.313 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.491 -10.966 -10.766 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.253 -10.972 -11.680 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.146 -9.722 -11.064 1.00 1.00 H new ATOM 0 HG23 THR A 28 2.502 -9.266 -12.124 1.00 1.00 H new ATOM 446 N ALA A 29 1.231 -8.105 -7.934 1.00 1.00 N ATOM 447 CA ALA A 29 -0.122 -7.849 -7.450 1.00 1.00 C ATOM 448 C ALA A 29 -0.450 -6.357 -7.486 1.00 1.00 C ATOM 449 O ALA A 29 -1.589 -5.971 -7.748 1.00 1.00 O ATOM 450 CB ALA A 29 -0.269 -8.367 -6.018 1.00 1.00 C ATOM 0 H ALA A 29 1.901 -8.361 -7.209 1.00 1.00 H new ATOM 0 HA ALA A 29 -0.818 -8.371 -8.106 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.281 -8.173 -5.663 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.077 -9.440 -5.998 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.446 -7.858 -5.372 1.00 1.00 H new ATOM 456 N LEU A 30 0.550 -5.523 -7.212 1.00 1.00 N ATOM 457 CA LEU A 30 0.344 -4.076 -7.207 1.00 1.00 C ATOM 458 C LEU A 30 0.848 -3.448 -8.504 1.00 1.00 C ATOM 459 O LEU A 30 0.890 -2.224 -8.633 1.00 1.00 O ATOM 460 CB LEU A 30 1.073 -3.449 -6.016 1.00 1.00 C ATOM 461 CG LEU A 30 0.315 -3.758 -4.717 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.166 -3.331 -3.520 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.021 -3.001 -4.681 1.00 1.00 C ATOM 0 H LEU A 30 1.501 -5.819 -6.993 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.726 -3.885 -7.122 1.00 1.00 H new ATOM 0 HB2 LEU A 30 2.090 -3.838 -5.955 1.00 1.00 H new ATOM 0 HB3 LEU A 30 1.152 -2.371 -6.154 1.00 1.00 H new ATOM 0 HG LEU A 30 0.117 -4.829 -4.673 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.630 -3.549 -2.596 1.00 1.00 H new ATOM 0 HD12 LEU A 30 2.109 -3.878 -3.530 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.366 -2.261 -3.579 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.545 -3.232 -3.753 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.833 -1.929 -4.735 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.634 -3.305 -5.529 1.00 1.00 H new ATOM 475 N SER A 31 1.236 -4.289 -9.456 1.00 1.00 N ATOM 476 CA SER A 31 1.745 -3.802 -10.734 1.00 1.00 C ATOM 477 C SER A 31 0.695 -2.972 -11.480 1.00 1.00 C ATOM 478 O SER A 31 0.967 -1.835 -11.869 1.00 1.00 O ATOM 479 CB SER A 31 2.189 -4.976 -11.607 1.00 1.00 C ATOM 480 OG SER A 31 1.591 -4.862 -12.891 1.00 1.00 O ATOM 0 H SER A 31 1.209 -5.305 -9.369 1.00 1.00 H new ATOM 0 HA SER A 31 2.600 -3.159 -10.525 1.00 1.00 H new ATOM 0 HB2 SER A 31 3.275 -4.985 -11.699 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.901 -5.919 -11.142 1.00 1.00 H new ATOM 0 HG SER A 31 1.876 -5.613 -13.452 1.00 1.00 H new ATOM 486 N PRO A 32 -0.485 -3.504 -11.699 1.00 1.00 N ATOM 487 CA PRO A 32 -1.561 -2.773 -12.426 1.00 1.00 C ATOM 488 C PRO A 32 -2.222 -1.709 -11.555 1.00 1.00 C ATOM 489 O PRO A 32 -3.051 -0.931 -12.029 1.00 1.00 O ATOM 490 CB PRO A 32 -2.556 -3.868 -12.800 1.00 1.00 C ATOM 491 CG PRO A 32 -2.379 -4.935 -11.772 1.00 1.00 C ATOM 492 CD PRO A 32 -0.929 -4.849 -11.284 1.00 1.00 C ATOM 0 HA PRO A 32 -1.176 -2.231 -13.290 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.577 -3.487 -12.799 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.360 -4.251 -13.801 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.074 -4.792 -10.944 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.586 -5.918 -12.196 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -0.865 -4.973 -10.203 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.312 -5.628 -11.732 1.00 1.00 H new ATOM 500 N TYR A 33 -1.851 -1.682 -10.282 1.00 1.00 N ATOM 501 CA TYR A 33 -2.414 -0.711 -9.354 1.00 1.00 C ATOM 502 C TYR A 33 -1.492 0.497 -9.212 1.00 1.00 C ATOM 503 O TYR A 33 -1.941 1.600 -8.897 1.00 1.00 O ATOM 504 CB TYR A 33 -2.628 -1.361 -7.986 1.00 1.00 C ATOM 505 CG TYR A 33 -3.727 -2.389 -8.085 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.432 -3.698 -8.485 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.046 -2.032 -7.777 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.455 -4.650 -8.577 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.070 -2.984 -7.870 1.00 1.00 C ATOM 510 CZ TYR A 33 -5.773 -4.293 -8.269 1.00 1.00 C ATOM 511 OH TYR A 33 -6.781 -5.231 -8.361 1.00 1.00 O ATOM 0 H TYR A 33 -1.167 -2.317 -9.870 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.372 -0.373 -9.748 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.705 -1.831 -7.646 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -2.890 -0.603 -7.248 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.415 -3.974 -8.723 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.274 -1.023 -7.468 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.227 -5.660 -8.886 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.087 -2.708 -7.634 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.635 -4.819 -8.112 1.00 1.00 H new ATOM 521 N ALA A 34 -0.201 0.282 -9.445 1.00 1.00 N ATOM 522 CA ALA A 34 0.775 1.360 -9.341 1.00 1.00 C ATOM 523 C ALA A 34 2.190 0.816 -9.503 1.00 1.00 C ATOM 524 O ALA A 34 2.382 -0.386 -9.689 1.00 1.00 O ATOM 525 CB ALA A 34 0.644 2.055 -7.984 1.00 1.00 C ATOM 0 H ALA A 34 0.191 -0.623 -9.705 1.00 1.00 H new ATOM 0 HA ALA A 34 0.581 2.080 -10.136 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.377 2.859 -7.915 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.359 2.469 -7.882 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.821 1.333 -7.187 1.00 1.00 H new ATOM 531 N SER A 35 3.173 1.709 -9.429 1.00 1.00 N ATOM 532 CA SER A 35 4.571 1.312 -9.569 1.00 1.00 C ATOM 533 C SER A 35 5.307 1.468 -8.243 1.00 1.00 C ATOM 534 O SER A 35 5.281 2.537 -7.631 1.00 1.00 O ATOM 535 CB SER A 35 5.252 2.172 -10.634 1.00 1.00 C ATOM 536 OG SER A 35 4.432 3.299 -10.921 1.00 1.00 O ATOM 0 H SER A 35 3.029 2.707 -9.274 1.00 1.00 H new ATOM 0 HA SER A 35 4.604 0.265 -9.870 1.00 1.00 H new ATOM 0 HB2 SER A 35 6.231 2.499 -10.283 1.00 1.00 H new ATOM 0 HB3 SER A 35 5.417 1.588 -11.539 1.00 1.00 H new ATOM 0 HG SER A 35 4.866 3.854 -11.602 1.00 1.00 H new ATOM 542 N LEU A 36 5.964 0.395 -7.806 1.00 1.00 N ATOM 543 CA LEU A 36 6.709 0.420 -6.552 1.00 1.00 C ATOM 544 C LEU A 36 8.207 0.352 -6.827 1.00 1.00 C ATOM 545 O LEU A 36 8.633 0.222 -7.976 1.00 1.00 O ATOM 546 CB LEU A 36 6.297 -0.758 -5.663 1.00 1.00 C ATOM 547 CG LEU A 36 5.543 -1.805 -6.487 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.478 -3.115 -5.702 1.00 1.00 C ATOM 549 CD2 LEU A 36 4.117 -1.318 -6.769 1.00 1.00 C ATOM 0 H LEU A 36 5.995 -0.497 -8.300 1.00 1.00 H new ATOM 0 HA LEU A 36 6.481 1.353 -6.036 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.181 -1.208 -5.211 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.667 -0.404 -4.847 1.00 1.00 H new ATOM 0 HG LEU A 36 6.065 -1.962 -7.431 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.942 -3.863 -6.286 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.489 -3.469 -5.500 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.957 -2.949 -4.759 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.586 -2.068 -7.356 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.594 -1.158 -5.826 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.156 -0.382 -7.326 1.00 1.00 H new ATOM 561 N ALA A 37 9.005 0.439 -5.768 1.00 1.00 N ATOM 562 CA ALA A 37 10.455 0.385 -5.910 1.00 1.00 C ATOM 563 C ALA A 37 11.081 -0.338 -4.720 1.00 1.00 C ATOM 564 O ALA A 37 10.796 -0.015 -3.567 1.00 1.00 O ATOM 565 CB ALA A 37 11.021 1.803 -6.023 1.00 1.00 C ATOM 0 H ALA A 37 8.675 0.546 -4.809 1.00 1.00 H new ATOM 0 HA ALA A 37 10.698 -0.168 -6.817 1.00 1.00 H new ATOM 0 HB1 ALA A 37 12.105 1.755 -6.129 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.593 2.297 -6.895 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.769 2.368 -5.126 1.00 1.00 H new ATOM 571 N VAL A 38 11.923 -1.325 -5.010 1.00 1.00 N ATOM 572 CA VAL A 38 12.576 -2.101 -3.960 1.00 1.00 C ATOM 573 C VAL A 38 13.213 -1.190 -2.910 1.00 1.00 C ATOM 574 O VAL A 38 13.181 -1.488 -1.717 1.00 1.00 O ATOM 575 CB VAL A 38 13.651 -2.998 -4.572 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.280 -3.862 -3.476 1.00 1.00 C ATOM 577 CG2 VAL A 38 13.017 -3.902 -5.631 1.00 1.00 C ATOM 0 H VAL A 38 12.169 -1.606 -5.959 1.00 1.00 H new ATOM 0 HA VAL A 38 11.816 -2.711 -3.471 1.00 1.00 H new ATOM 0 HB VAL A 38 14.421 -2.379 -5.034 1.00 1.00 H new ATOM 0 HG11 VAL A 38 15.047 -4.502 -3.912 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.731 -3.219 -2.720 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.511 -4.481 -3.014 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.783 -4.542 -6.068 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.248 -4.520 -5.168 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.568 -3.288 -6.412 1.00 1.00 H new ATOM 587 N ASN A 39 13.806 -0.090 -3.364 1.00 1.00 N ATOM 588 CA ASN A 39 14.464 0.844 -2.453 1.00 1.00 C ATOM 589 C ASN A 39 13.458 1.787 -1.793 1.00 1.00 C ATOM 590 O ASN A 39 13.843 2.670 -1.025 1.00 1.00 O ATOM 591 CB ASN A 39 15.505 1.664 -3.217 1.00 1.00 C ATOM 592 CG ASN A 39 15.811 0.995 -4.554 1.00 1.00 C ATOM 593 OD1 ASN A 39 14.980 1.014 -5.462 1.00 1.00 O ATOM 594 ND2 ASN A 39 16.959 0.400 -4.726 1.00 1.00 N ATOM 0 H ASN A 39 13.845 0.176 -4.348 1.00 1.00 H new ATOM 0 HA ASN A 39 14.949 0.262 -1.670 1.00 1.00 H new ATOM 0 HB2 ASN A 39 15.134 2.676 -3.383 1.00 1.00 H new ATOM 0 HB3 ASN A 39 16.417 1.751 -2.627 1.00 1.00 H new ATOM 0 HD21 ASN A 39 17.171 -0.052 -5.616 1.00 1.00 H new ATOM 0 HD22 ASN A 39 17.645 0.387 -3.971 1.00 1.00 H new ATOM 601 N ASN A 40 12.175 1.598 -2.096 1.00 1.00 N ATOM 602 CA ASN A 40 11.127 2.444 -1.523 1.00 1.00 C ATOM 603 C ASN A 40 10.201 1.631 -0.621 1.00 1.00 C ATOM 604 O ASN A 40 9.233 2.162 -0.078 1.00 1.00 O ATOM 605 CB ASN A 40 10.300 3.088 -2.646 1.00 1.00 C ATOM 606 CG ASN A 40 10.029 4.566 -2.366 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.259 5.054 -1.259 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.536 5.307 -3.320 1.00 1.00 N ATOM 0 H ASN A 40 11.837 0.873 -2.729 1.00 1.00 H new ATOM 0 HA ASN A 40 11.608 3.219 -0.926 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.830 2.987 -3.593 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.354 2.557 -2.752 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.340 6.293 -3.150 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.347 4.900 -4.236 1.00 1.00 H new ATOM 615 N ILE A 41 10.497 0.342 -0.466 1.00 1.00 N ATOM 616 CA ILE A 41 9.677 -0.522 0.369 1.00 1.00 C ATOM 617 C ILE A 41 10.550 -1.372 1.283 1.00 1.00 C ATOM 618 O ILE A 41 11.615 -1.840 0.882 1.00 1.00 O ATOM 619 CB ILE A 41 8.816 -1.426 -0.514 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.697 -2.449 -1.238 1.00 1.00 C ATOM 621 CG2 ILE A 41 8.077 -0.574 -1.547 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.871 -3.167 -2.307 1.00 1.00 C ATOM 0 H ILE A 41 11.293 -0.121 -0.905 1.00 1.00 H new ATOM 0 HA ILE A 41 9.032 0.102 0.988 1.00 1.00 H new ATOM 0 HB ILE A 41 8.097 -1.954 0.113 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.550 -1.950 -1.697 1.00 1.00 H new ATOM 0 HG13 ILE A 41 10.095 -3.171 -0.525 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.463 -1.217 -2.177 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.440 0.147 -1.035 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.801 -0.044 -2.166 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.497 -3.895 -2.823 1.00 1.00 H new ATOM 0 HD12 ILE A 41 8.032 -3.679 -1.836 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.494 -2.439 -3.026 1.00 1.00 H new ATOM 634 N ARG A 42 10.085 -1.565 2.513 1.00 1.00 N ATOM 635 CA ARG A 42 10.819 -2.362 3.489 1.00 1.00 C ATOM 636 C ARG A 42 9.931 -3.468 4.042 1.00 1.00 C ATOM 637 O ARG A 42 9.127 -3.238 4.945 1.00 1.00 O ATOM 638 CB ARG A 42 11.305 -1.475 4.637 1.00 1.00 C ATOM 639 CG ARG A 42 12.292 -2.262 5.500 1.00 1.00 C ATOM 640 CD ARG A 42 12.862 -1.349 6.588 1.00 1.00 C ATOM 641 NE ARG A 42 14.145 -0.799 6.166 1.00 1.00 N ATOM 642 CZ ARG A 42 15.050 -0.406 7.058 1.00 1.00 C ATOM 643 NH1 ARG A 42 14.796 -0.506 8.334 1.00 1.00 N ATOM 644 NH2 ARG A 42 16.192 0.082 6.655 1.00 1.00 N ATOM 0 H ARG A 42 9.205 -1.181 2.857 1.00 1.00 H new ATOM 0 HA ARG A 42 11.680 -2.809 2.992 1.00 1.00 H new ATOM 0 HB2 ARG A 42 11.784 -0.579 4.242 1.00 1.00 H new ATOM 0 HB3 ARG A 42 10.459 -1.145 5.240 1.00 1.00 H new ATOM 0 HG2 ARG A 42 11.792 -3.118 5.954 1.00 1.00 H new ATOM 0 HG3 ARG A 42 13.099 -2.655 4.881 1.00 1.00 H new ATOM 0 HD2 ARG A 42 12.162 -0.539 6.796 1.00 1.00 H new ATOM 0 HD3 ARG A 42 12.986 -1.910 7.515 1.00 1.00 H new ATOM 0 HE ARG A 42 14.352 -0.714 5.171 1.00 1.00 H new ATOM 0 HH11 ARG A 42 13.903 -0.886 8.648 1.00 1.00 H new ATOM 0 HH12 ARG A 42 15.491 -0.204 9.017 1.00 1.00 H new ATOM 0 HH21 ARG A 42 16.389 0.161 5.657 1.00 1.00 H new ATOM 0 HH22 ARG A 42 16.887 0.384 7.338 1.00 1.00 H new ATOM 658 N LEU A 43 10.082 -4.666 3.495 1.00 1.00 N ATOM 659 CA LEU A 43 9.285 -5.802 3.944 1.00 1.00 C ATOM 660 C LEU A 43 10.026 -6.551 5.048 1.00 1.00 C ATOM 661 O LEU A 43 10.932 -7.341 4.782 1.00 1.00 O ATOM 662 CB LEU A 43 9.012 -6.740 2.759 1.00 1.00 C ATOM 663 CG LEU A 43 7.547 -7.204 2.759 1.00 1.00 C ATOM 664 CD1 LEU A 43 7.236 -7.893 1.432 1.00 1.00 C ATOM 665 CD2 LEU A 43 7.327 -8.197 3.901 1.00 1.00 C ATOM 0 H LEU A 43 10.742 -4.877 2.747 1.00 1.00 H new ATOM 0 HA LEU A 43 8.335 -5.443 4.340 1.00 1.00 H new ATOM 0 HB2 LEU A 43 9.236 -6.227 1.824 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.673 -7.605 2.814 1.00 1.00 H new ATOM 0 HG LEU A 43 6.893 -6.342 2.891 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.197 -8.224 1.428 1.00 1.00 H new ATOM 0 HD12 LEU A 43 7.397 -7.193 0.612 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.892 -8.755 1.307 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.288 -8.526 3.902 1.00 1.00 H new ATOM 0 HD22 LEU A 43 7.981 -9.058 3.765 1.00 1.00 H new ATOM 0 HD23 LEU A 43 7.555 -7.715 4.852 1.00 1.00 H new ATOM 677 N ILE A 44 9.634 -6.289 6.290 1.00 1.00 N ATOM 678 CA ILE A 44 10.263 -6.937 7.433 1.00 1.00 C ATOM 679 C ILE A 44 10.088 -8.448 7.344 1.00 1.00 C ATOM 680 O ILE A 44 9.003 -8.932 7.029 1.00 1.00 O ATOM 681 CB ILE A 44 9.638 -6.415 8.729 1.00 1.00 C ATOM 682 CG1 ILE A 44 10.376 -7.002 9.936 1.00 1.00 C ATOM 683 CG2 ILE A 44 8.168 -6.830 8.787 1.00 1.00 C ATOM 684 CD1 ILE A 44 10.158 -6.097 11.150 1.00 1.00 C ATOM 0 H ILE A 44 8.888 -5.636 6.529 1.00 1.00 H new ATOM 0 HA ILE A 44 11.329 -6.707 7.429 1.00 1.00 H new ATOM 0 HB ILE A 44 9.716 -5.328 8.752 1.00 1.00 H new ATOM 0 HG12 ILE A 44 10.011 -8.007 10.147 1.00 1.00 H new ATOM 0 HG13 ILE A 44 11.441 -7.089 9.719 1.00 1.00 H new ATOM 0 HG21 ILE A 44 7.721 -6.459 9.709 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.637 -6.410 7.932 1.00 1.00 H new ATOM 0 HG23 ILE A 44 8.096 -7.917 8.760 1.00 1.00 H new ATOM 0 HD11 ILE A 44 10.682 -6.511 12.011 1.00 1.00 H new ATOM 0 HD12 ILE A 44 10.544 -5.101 10.935 1.00 1.00 H new ATOM 0 HD13 ILE A 44 9.092 -6.033 11.370 1.00 1.00 H new ATOM 696 N LYS A 45 11.162 -9.184 7.618 1.00 1.00 N ATOM 697 CA LYS A 45 11.116 -10.643 7.561 1.00 1.00 C ATOM 698 C LYS A 45 11.272 -11.243 8.953 1.00 1.00 C ATOM 699 O LYS A 45 11.927 -10.664 9.820 1.00 1.00 O ATOM 700 CB LYS A 45 12.229 -11.170 6.649 1.00 1.00 C ATOM 701 CG LYS A 45 11.625 -11.654 5.329 1.00 1.00 C ATOM 702 CD LYS A 45 12.741 -11.857 4.301 1.00 1.00 C ATOM 703 CE LYS A 45 12.753 -10.681 3.321 1.00 1.00 C ATOM 704 NZ LYS A 45 12.824 -9.402 4.080 1.00 1.00 N ATOM 0 H LYS A 45 12.069 -8.798 7.880 1.00 1.00 H new ATOM 0 HA LYS A 45 10.147 -10.937 7.158 1.00 1.00 H new ATOM 0 HB2 LYS A 45 12.960 -10.384 6.459 1.00 1.00 H new ATOM 0 HB3 LYS A 45 12.759 -11.987 7.139 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.085 -12.588 5.485 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.903 -10.926 4.959 1.00 1.00 H new ATOM 0 HD2 LYS A 45 13.704 -11.934 4.805 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.588 -12.792 3.762 1.00 1.00 H new ATOM 0 HE2 LYS A 45 13.606 -10.764 2.647 1.00 1.00 H new ATOM 0 HE3 LYS A 45 11.855 -10.700 2.703 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 13.086 -8.630 3.435 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 11.897 -9.199 4.505 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 13.539 -9.483 4.831 1.00 1.00 H new ATOM 718 N ASP A 46 10.662 -12.407 9.156 1.00 1.00 N ATOM 719 CA ASP A 46 10.732 -13.087 10.446 1.00 1.00 C ATOM 720 C ASP A 46 11.602 -14.336 10.345 1.00 1.00 C ATOM 721 O ASP A 46 11.719 -14.937 9.278 1.00 1.00 O ATOM 722 CB ASP A 46 9.327 -13.479 10.905 1.00 1.00 C ATOM 723 CG ASP A 46 9.291 -13.611 12.423 1.00 1.00 C ATOM 724 OD1 ASP A 46 9.372 -12.591 13.089 1.00 1.00 O ATOM 725 OD2 ASP A 46 9.181 -14.729 12.899 1.00 1.00 O ATOM 0 H ASP A 46 10.116 -12.897 8.448 1.00 1.00 H new ATOM 0 HA ASP A 46 11.175 -12.406 11.172 1.00 1.00 H new ATOM 0 HB2 ASP A 46 8.607 -12.728 10.580 1.00 1.00 H new ATOM 0 HB3 ASP A 46 9.035 -14.422 10.443 1.00 1.00 H new ATOM 730 N LYS A 47 12.209 -14.722 11.462 1.00 1.00 N ATOM 731 CA LYS A 47 13.065 -15.904 11.486 1.00 1.00 C ATOM 732 C LYS A 47 12.256 -17.148 11.837 1.00 1.00 C ATOM 733 O LYS A 47 12.782 -18.260 11.840 1.00 1.00 O ATOM 734 CB LYS A 47 14.185 -15.715 12.512 1.00 1.00 C ATOM 735 CG LYS A 47 15.494 -15.379 11.791 1.00 1.00 C ATOM 736 CD LYS A 47 15.316 -14.093 10.978 1.00 1.00 C ATOM 737 CE LYS A 47 16.421 -13.102 11.347 1.00 1.00 C ATOM 738 NZ LYS A 47 17.751 -13.712 11.063 1.00 1.00 N ATOM 0 H LYS A 47 12.126 -14.239 12.356 1.00 1.00 H new ATOM 0 HA LYS A 47 13.497 -16.036 10.494 1.00 1.00 H new ATOM 0 HB2 LYS A 47 13.925 -14.915 13.206 1.00 1.00 H new ATOM 0 HB3 LYS A 47 14.307 -16.623 13.103 1.00 1.00 H new ATOM 0 HG2 LYS A 47 16.299 -15.255 12.516 1.00 1.00 H new ATOM 0 HG3 LYS A 47 15.780 -16.200 11.134 1.00 1.00 H new ATOM 0 HD2 LYS A 47 15.353 -14.316 9.912 1.00 1.00 H new ATOM 0 HD3 LYS A 47 14.338 -13.655 11.178 1.00 1.00 H new ATOM 0 HE2 LYS A 47 16.303 -12.180 10.777 1.00 1.00 H new ATOM 0 HE3 LYS A 47 16.349 -12.836 12.402 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 18.426 -12.966 10.801 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 18.094 -14.207 11.911 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 17.662 -14.390 10.279 1.00 1.00 H new ATOM 752 N GLN A 48 10.977 -16.951 12.137 1.00 1.00 N ATOM 753 CA GLN A 48 10.106 -18.067 12.492 1.00 1.00 C ATOM 754 C GLN A 48 9.522 -18.718 11.242 1.00 1.00 C ATOM 755 O GLN A 48 9.699 -19.915 11.016 1.00 1.00 O ATOM 756 CB GLN A 48 8.969 -17.576 13.391 1.00 1.00 C ATOM 757 CG GLN A 48 8.359 -18.762 14.138 1.00 1.00 C ATOM 758 CD GLN A 48 9.004 -18.900 15.513 1.00 1.00 C ATOM 759 OE1 GLN A 48 9.487 -19.975 15.869 1.00 1.00 O ATOM 760 NE2 GLN A 48 9.043 -17.868 16.312 1.00 1.00 N ATOM 0 H GLN A 48 10.523 -16.038 12.142 1.00 1.00 H new ATOM 0 HA GLN A 48 10.701 -18.808 13.026 1.00 1.00 H new ATOM 0 HB2 GLN A 48 9.345 -16.840 14.102 1.00 1.00 H new ATOM 0 HB3 GLN A 48 8.206 -17.079 12.791 1.00 1.00 H new ATOM 0 HG2 GLN A 48 7.283 -18.621 14.244 1.00 1.00 H new ATOM 0 HG3 GLN A 48 8.505 -19.678 13.565 1.00 1.00 H new ATOM 0 HE21 GLN A 48 8.642 -16.978 16.016 1.00 1.00 H new ATOM 0 HE22 GLN A 48 9.474 -17.952 17.233 1.00 1.00 H new ATOM 769 N THR A 49 8.826 -17.922 10.434 1.00 1.00 N ATOM 770 CA THR A 49 8.218 -18.432 9.210 1.00 1.00 C ATOM 771 C THR A 49 9.014 -17.984 7.988 1.00 1.00 C ATOM 772 O THR A 49 8.518 -18.025 6.862 1.00 1.00 O ATOM 773 CB THR A 49 6.776 -17.931 9.096 1.00 1.00 C ATOM 774 OG1 THR A 49 6.474 -17.106 10.213 1.00 1.00 O ATOM 775 CG2 THR A 49 5.820 -19.125 9.068 1.00 1.00 C ATOM 0 H THR A 49 8.670 -16.928 10.604 1.00 1.00 H new ATOM 0 HA THR A 49 8.222 -19.521 9.251 1.00 1.00 H new ATOM 0 HB THR A 49 6.662 -17.356 8.177 1.00 1.00 H new ATOM 0 HG1 THR A 49 5.552 -16.783 10.141 1.00 1.00 H new ATOM 0 HG21 THR A 49 4.794 -18.767 8.987 1.00 1.00 H new ATOM 0 HG22 THR A 49 6.053 -19.757 8.211 1.00 1.00 H new ATOM 0 HG23 THR A 49 5.932 -19.702 9.986 1.00 1.00 H new ATOM 783 N GLN A 50 10.251 -17.554 8.219 1.00 1.00 N ATOM 784 CA GLN A 50 11.107 -17.099 7.128 1.00 1.00 C ATOM 785 C GLN A 50 10.311 -16.244 6.149 1.00 1.00 C ATOM 786 O GLN A 50 10.573 -16.252 4.947 1.00 1.00 O ATOM 787 CB GLN A 50 11.701 -18.302 6.392 1.00 1.00 C ATOM 788 CG GLN A 50 12.814 -18.927 7.237 1.00 1.00 C ATOM 789 CD GLN A 50 12.234 -19.497 8.526 1.00 1.00 C ATOM 790 OE1 GLN A 50 11.979 -20.697 8.614 1.00 1.00 O ATOM 791 NE2 GLN A 50 12.012 -18.703 9.537 1.00 1.00 N ATOM 0 H GLN A 50 10.680 -17.511 9.143 1.00 1.00 H new ATOM 0 HA GLN A 50 11.913 -16.498 7.548 1.00 1.00 H new ATOM 0 HB2 GLN A 50 10.923 -19.040 6.195 1.00 1.00 H new ATOM 0 HB3 GLN A 50 12.097 -17.990 5.426 1.00 1.00 H new ATOM 0 HG2 GLN A 50 13.311 -19.716 6.672 1.00 1.00 H new ATOM 0 HG3 GLN A 50 13.570 -18.177 7.469 1.00 1.00 H new ATOM 0 HE21 GLN A 50 12.225 -17.708 9.461 1.00 1.00 H new ATOM 0 HE22 GLN A 50 11.626 -19.077 10.404 1.00 1.00 H new ATOM 800 N GLN A 51 9.335 -15.512 6.675 1.00 1.00 N ATOM 801 CA GLN A 51 8.499 -14.656 5.841 1.00 1.00 C ATOM 802 C GLN A 51 7.886 -13.536 6.677 1.00 1.00 C ATOM 803 O GLN A 51 7.927 -13.575 7.906 1.00 1.00 O ATOM 804 CB GLN A 51 7.378 -15.482 5.193 1.00 1.00 C ATOM 805 CG GLN A 51 7.962 -16.432 4.142 1.00 1.00 C ATOM 806 CD GLN A 51 6.846 -16.980 3.259 1.00 1.00 C ATOM 807 OE1 GLN A 51 6.359 -16.286 2.367 1.00 1.00 O ATOM 808 NE2 GLN A 51 6.408 -18.193 3.459 1.00 1.00 N ATOM 0 H GLN A 51 9.104 -15.494 7.668 1.00 1.00 H new ATOM 0 HA GLN A 51 9.123 -14.219 5.061 1.00 1.00 H new ATOM 0 HB2 GLN A 51 6.849 -16.053 5.956 1.00 1.00 H new ATOM 0 HB3 GLN A 51 6.649 -14.818 4.729 1.00 1.00 H new ATOM 0 HG2 GLN A 51 8.695 -15.906 3.531 1.00 1.00 H new ATOM 0 HG3 GLN A 51 8.486 -17.253 4.632 1.00 1.00 H new ATOM 0 HE21 GLN A 51 6.813 -18.766 4.199 1.00 1.00 H new ATOM 0 HE22 GLN A 51 5.660 -18.568 2.875 1.00 1.00 H new ATOM 817 N ASN A 52 7.325 -12.539 5.996 1.00 1.00 N ATOM 818 CA ASN A 52 6.705 -11.401 6.673 1.00 1.00 C ATOM 819 C ASN A 52 6.002 -11.829 7.958 1.00 1.00 C ATOM 820 O ASN A 52 5.360 -12.880 8.008 1.00 1.00 O ATOM 821 CB ASN A 52 5.691 -10.736 5.742 1.00 1.00 C ATOM 822 CG ASN A 52 4.287 -11.252 6.043 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.382 -10.463 6.317 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.048 -12.534 6.002 1.00 1.00 N ATOM 0 H ASN A 52 7.287 -12.496 4.978 1.00 1.00 H new ATOM 0 HA ASN A 52 7.495 -10.697 6.933 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.724 -9.654 5.869 1.00 1.00 H new ATOM 0 HB3 ASN A 52 5.948 -10.943 4.703 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.110 -12.884 6.197 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.799 -13.186 5.775 1.00 1.00 H new ATOM 831 N ARG A 53 6.127 -11.006 8.995 1.00 1.00 N ATOM 832 CA ARG A 53 5.499 -11.303 10.277 1.00 1.00 C ATOM 833 C ARG A 53 4.038 -10.859 10.274 1.00 1.00 C ATOM 834 O ARG A 53 3.476 -10.537 11.321 1.00 1.00 O ATOM 835 CB ARG A 53 6.242 -10.584 11.406 1.00 1.00 C ATOM 836 CG ARG A 53 6.323 -11.496 12.632 1.00 1.00 C ATOM 837 CD ARG A 53 7.034 -10.761 13.770 1.00 1.00 C ATOM 838 NE ARG A 53 6.221 -9.644 14.236 1.00 1.00 N ATOM 839 CZ ARG A 53 6.553 -8.960 15.325 1.00 1.00 C ATOM 840 NH1 ARG A 53 7.625 -9.282 15.997 1.00 1.00 N ATOM 841 NH2 ARG A 53 5.809 -7.964 15.723 1.00 1.00 N ATOM 0 H ARG A 53 6.654 -10.133 8.973 1.00 1.00 H new ATOM 0 HA ARG A 53 5.545 -12.380 10.438 1.00 1.00 H new ATOM 0 HB2 ARG A 53 7.245 -10.310 11.078 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.726 -9.659 11.662 1.00 1.00 H new ATOM 0 HG2 ARG A 53 5.322 -11.791 12.945 1.00 1.00 H new ATOM 0 HG3 ARG A 53 6.862 -12.410 12.383 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.225 -11.449 14.593 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.003 -10.397 13.428 1.00 1.00 H new ATOM 0 HE ARG A 53 5.383 -9.383 13.717 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.208 -10.059 15.686 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.880 -8.756 16.833 1.00 1.00 H new ATOM 0 HH21 ARG A 53 4.972 -7.711 15.198 1.00 1.00 H new ATOM 0 HH22 ARG A 53 6.064 -7.439 16.559 1.00 1.00 H new ATOM 855 N GLY A 54 3.425 -10.846 9.093 1.00 1.00 N ATOM 856 CA GLY A 54 2.030 -10.442 8.972 1.00 1.00 C ATOM 857 C GLY A 54 1.904 -8.929 8.806 1.00 1.00 C ATOM 858 O GLY A 54 0.859 -8.350 9.104 1.00 1.00 O ATOM 0 H GLY A 54 3.870 -11.109 8.213 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.577 -10.943 8.117 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.479 -10.760 9.857 1.00 1.00 H new ATOM 862 N PHE A 55 2.971 -8.293 8.328 1.00 1.00 N ATOM 863 CA PHE A 55 2.960 -6.845 8.130 1.00 1.00 C ATOM 864 C PHE A 55 4.013 -6.428 7.102 1.00 1.00 C ATOM 865 O PHE A 55 5.075 -7.042 7.004 1.00 1.00 O ATOM 866 CB PHE A 55 3.231 -6.136 9.459 1.00 1.00 C ATOM 867 CG PHE A 55 2.185 -6.540 10.470 1.00 1.00 C ATOM 868 CD1 PHE A 55 0.882 -6.039 10.366 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.517 -7.415 11.512 1.00 1.00 C ATOM 870 CE1 PHE A 55 -0.089 -6.412 11.303 1.00 1.00 C ATOM 871 CE2 PHE A 55 1.546 -7.789 12.448 1.00 1.00 C ATOM 872 CZ PHE A 55 0.244 -7.287 12.344 1.00 1.00 C ATOM 0 H PHE A 55 3.846 -8.751 8.073 1.00 1.00 H new ATOM 0 HA PHE A 55 1.977 -6.558 7.756 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.224 -6.395 9.825 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.215 -5.055 9.316 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.626 -5.364 9.563 1.00 1.00 H new ATOM 0 HD2 PHE A 55 3.522 -7.801 11.593 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -1.094 -6.025 11.223 1.00 1.00 H new ATOM 0 HE2 PHE A 55 1.802 -8.465 13.251 1.00 1.00 H new ATOM 0 HZ PHE A 55 -0.505 -7.575 13.067 1.00 1.00 H new ATOM 882 N ALA A 56 3.708 -5.379 6.342 1.00 1.00 N ATOM 883 CA ALA A 56 4.632 -4.885 5.324 1.00 1.00 C ATOM 884 C ALA A 56 4.466 -3.381 5.130 1.00 1.00 C ATOM 885 O ALA A 56 3.362 -2.849 5.251 1.00 1.00 O ATOM 886 CB ALA A 56 4.375 -5.601 3.997 1.00 1.00 C ATOM 0 H ALA A 56 2.834 -4.857 6.411 1.00 1.00 H new ATOM 0 HA ALA A 56 5.650 -5.086 5.657 1.00 1.00 H new ATOM 0 HB1 ALA A 56 5.067 -5.228 3.242 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.523 -6.673 4.127 1.00 1.00 H new ATOM 0 HB3 ALA A 56 3.351 -5.413 3.675 1.00 1.00 H new ATOM 892 N PHE A 57 5.571 -2.702 4.827 1.00 1.00 N ATOM 893 CA PHE A 57 5.546 -1.256 4.614 1.00 1.00 C ATOM 894 C PHE A 57 5.869 -0.926 3.159 1.00 1.00 C ATOM 895 O PHE A 57 6.719 -1.567 2.542 1.00 1.00 O ATOM 896 CB PHE A 57 6.565 -0.577 5.533 1.00 1.00 C ATOM 897 CG PHE A 57 5.851 0.037 6.714 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.191 1.263 6.573 1.00 1.00 C ATOM 899 CD2 PHE A 57 5.851 -0.621 7.950 1.00 1.00 C ATOM 900 CE1 PHE A 57 4.532 1.832 7.668 1.00 1.00 C ATOM 901 CE2 PHE A 57 5.191 -0.051 9.045 1.00 1.00 C ATOM 902 CZ PHE A 57 4.532 1.176 8.904 1.00 1.00 C ATOM 0 H PHE A 57 6.492 -3.128 4.724 1.00 1.00 H new ATOM 0 HA PHE A 57 4.547 -0.888 4.846 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.300 -1.304 5.877 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.109 0.192 4.984 1.00 1.00 H new ATOM 0 HD1 PHE A 57 5.190 1.770 5.619 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.360 -1.567 8.058 1.00 1.00 H new ATOM 0 HE1 PHE A 57 4.023 2.778 7.559 1.00 1.00 H new ATOM 0 HE2 PHE A 57 5.190 -0.558 9.999 1.00 1.00 H new ATOM 0 HZ PHE A 57 4.024 1.616 9.749 1.00 1.00 H new ATOM 912 N VAL A 58 5.181 0.075 2.614 1.00 1.00 N ATOM 913 CA VAL A 58 5.404 0.474 1.227 1.00 1.00 C ATOM 914 C VAL A 58 5.306 1.990 1.073 1.00 1.00 C ATOM 915 O VAL A 58 4.432 2.624 1.665 1.00 1.00 O ATOM 916 CB VAL A 58 4.366 -0.195 0.322 1.00 1.00 C ATOM 917 CG1 VAL A 58 2.968 0.319 0.672 1.00 1.00 C ATOM 918 CG2 VAL A 58 4.673 0.134 -1.142 1.00 1.00 C ATOM 0 H VAL A 58 4.472 0.619 3.106 1.00 1.00 H new ATOM 0 HA VAL A 58 6.406 0.157 0.938 1.00 1.00 H new ATOM 0 HB VAL A 58 4.405 -1.274 0.471 1.00 1.00 H new ATOM 0 HG11 VAL A 58 2.232 -0.159 0.026 1.00 1.00 H new ATOM 0 HG12 VAL A 58 2.744 0.084 1.713 1.00 1.00 H new ATOM 0 HG13 VAL A 58 2.931 1.399 0.527 1.00 1.00 H new ATOM 0 HG21 VAL A 58 3.933 -0.343 -1.785 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.638 1.214 -1.287 1.00 1.00 H new ATOM 0 HG23 VAL A 58 5.667 -0.234 -1.397 1.00 1.00 H new ATOM 928 N GLN A 59 6.203 2.560 0.267 1.00 1.00 N ATOM 929 CA GLN A 59 6.205 4.000 0.032 1.00 1.00 C ATOM 930 C GLN A 59 5.987 4.292 -1.447 1.00 1.00 C ATOM 931 O GLN A 59 6.328 3.476 -2.302 1.00 1.00 O ATOM 932 CB GLN A 59 7.533 4.607 0.486 1.00 1.00 C ATOM 933 CG GLN A 59 7.418 6.131 0.509 1.00 1.00 C ATOM 934 CD GLN A 59 8.706 6.742 1.054 1.00 1.00 C ATOM 935 OE1 GLN A 59 9.645 6.991 0.297 1.00 1.00 O ATOM 936 NE2 GLN A 59 8.809 6.995 2.330 1.00 1.00 N ATOM 0 H GLN A 59 6.932 2.048 -0.230 1.00 1.00 H new ATOM 0 HA GLN A 59 5.394 4.446 0.607 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.794 4.237 1.477 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.333 4.303 -0.189 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.225 6.505 -0.497 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.573 6.431 1.128 1.00 1.00 H new ATOM 0 HE21 GLN A 59 8.030 6.788 2.955 1.00 1.00 H new ATOM 0 HE22 GLN A 59 9.668 7.400 2.702 1.00 1.00 H new ATOM 945 N LEU A 60 5.414 5.455 -1.737 1.00 1.00 N ATOM 946 CA LEU A 60 5.148 5.846 -3.121 1.00 1.00 C ATOM 947 C LEU A 60 6.038 7.022 -3.517 1.00 1.00 C ATOM 948 O LEU A 60 6.649 7.665 -2.662 1.00 1.00 O ATOM 949 CB LEU A 60 3.673 6.241 -3.284 1.00 1.00 C ATOM 950 CG LEU A 60 2.806 5.022 -3.640 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.191 4.477 -5.020 1.00 1.00 C ATOM 952 CD2 LEU A 60 2.987 3.919 -2.596 1.00 1.00 C ATOM 0 H LEU A 60 5.126 6.141 -1.039 1.00 1.00 H new ATOM 0 HA LEU A 60 5.367 4.998 -3.769 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.310 6.691 -2.360 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.580 6.997 -4.064 1.00 1.00 H new ATOM 0 HG LEU A 60 1.763 5.339 -3.655 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.568 3.614 -5.257 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.040 5.251 -5.772 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.239 4.177 -5.013 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.367 3.062 -2.861 1.00 1.00 H new ATOM 0 HD22 LEU A 60 4.033 3.615 -2.566 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.690 4.293 -1.616 1.00 1.00 H new ATOM 964 N SER A 61 6.114 7.294 -4.816 1.00 1.00 N ATOM 965 CA SER A 61 6.941 8.388 -5.313 1.00 1.00 C ATOM 966 C SER A 61 6.507 9.721 -4.711 1.00 1.00 C ATOM 967 O SER A 61 7.339 10.576 -4.409 1.00 1.00 O ATOM 968 CB SER A 61 6.847 8.462 -6.838 1.00 1.00 C ATOM 969 OG SER A 61 7.453 7.305 -7.401 1.00 1.00 O ATOM 0 H SER A 61 5.616 6.775 -5.540 1.00 1.00 H new ATOM 0 HA SER A 61 7.972 8.194 -5.017 1.00 1.00 H new ATOM 0 HB2 SER A 61 5.804 8.528 -7.147 1.00 1.00 H new ATOM 0 HB3 SER A 61 7.344 9.361 -7.202 1.00 1.00 H new ATOM 0 HG SER A 61 7.394 7.347 -8.378 1.00 1.00 H new ATOM 975 N SER A 62 5.203 9.892 -4.544 1.00 1.00 N ATOM 976 CA SER A 62 4.667 11.127 -3.981 1.00 1.00 C ATOM 977 C SER A 62 3.567 10.824 -2.968 1.00 1.00 C ATOM 978 O SER A 62 3.267 9.663 -2.689 1.00 1.00 O ATOM 979 CB SER A 62 4.106 12.008 -5.097 1.00 1.00 C ATOM 980 OG SER A 62 5.002 11.995 -6.200 1.00 1.00 O ATOM 0 H SER A 62 4.498 9.196 -4.788 1.00 1.00 H new ATOM 0 HA SER A 62 5.476 11.653 -3.474 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.126 11.644 -5.405 1.00 1.00 H new ATOM 0 HB3 SER A 62 3.969 13.028 -4.737 1.00 1.00 H new ATOM 0 HG SER A 62 4.645 12.558 -6.918 1.00 1.00 H new ATOM 986 N ALA A 63 2.972 11.878 -2.418 1.00 1.00 N ATOM 987 CA ALA A 63 1.908 11.716 -1.434 1.00 1.00 C ATOM 988 C ALA A 63 0.588 11.374 -2.119 1.00 1.00 C ATOM 989 O ALA A 63 -0.107 10.441 -1.717 1.00 1.00 O ATOM 990 CB ALA A 63 1.746 13.003 -0.624 1.00 1.00 C ATOM 0 H ALA A 63 3.206 12.847 -2.635 1.00 1.00 H new ATOM 0 HA ALA A 63 2.179 10.898 -0.767 1.00 1.00 H new ATOM 0 HB1 ALA A 63 0.949 12.874 0.109 1.00 1.00 H new ATOM 0 HB2 ALA A 63 2.680 13.229 -0.109 1.00 1.00 H new ATOM 0 HB3 ALA A 63 1.493 13.825 -1.294 1.00 1.00 H new ATOM 996 N MET A 64 0.248 12.137 -3.152 1.00 1.00 N ATOM 997 CA MET A 64 -0.993 11.905 -3.882 1.00 1.00 C ATOM 998 C MET A 64 -1.076 10.459 -4.362 1.00 1.00 C ATOM 999 O MET A 64 -2.146 9.850 -4.345 1.00 1.00 O ATOM 1000 CB MET A 64 -1.074 12.847 -5.086 1.00 1.00 C ATOM 1001 CG MET A 64 -0.141 14.039 -4.864 1.00 1.00 C ATOM 1002 SD MET A 64 -0.560 15.358 -6.029 1.00 1.00 S ATOM 1003 CE MET A 64 0.233 16.715 -5.132 1.00 1.00 C ATOM 0 H MET A 64 0.808 12.915 -3.500 1.00 1.00 H new ATOM 0 HA MET A 64 -1.827 12.099 -3.208 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.794 12.316 -5.996 1.00 1.00 H new ATOM 0 HB3 MET A 64 -2.098 13.194 -5.222 1.00 1.00 H new ATOM 0 HG2 MET A 64 -0.233 14.401 -3.840 1.00 1.00 H new ATOM 0 HG3 MET A 64 0.896 13.733 -5.002 1.00 1.00 H new ATOM 0 HE1 MET A 64 0.095 17.645 -5.683 1.00 1.00 H new ATOM 0 HE2 MET A 64 -0.216 16.809 -4.143 1.00 1.00 H new ATOM 0 HE3 MET A 64 1.298 16.509 -5.028 1.00 1.00 H new ATOM 1013 N ASP A 65 0.058 9.917 -4.791 1.00 1.00 N ATOM 1014 CA ASP A 65 0.101 8.542 -5.276 1.00 1.00 C ATOM 1015 C ASP A 65 -0.334 7.570 -4.183 1.00 1.00 C ATOM 1016 O ASP A 65 -1.103 6.642 -4.435 1.00 1.00 O ATOM 1017 CB ASP A 65 1.517 8.194 -5.734 1.00 1.00 C ATOM 1018 CG ASP A 65 1.638 8.384 -7.243 1.00 1.00 C ATOM 1019 OD1 ASP A 65 0.943 7.689 -7.966 1.00 1.00 O ATOM 1020 OD2 ASP A 65 2.425 9.222 -7.653 1.00 1.00 O ATOM 0 H ASP A 65 0.954 10.404 -4.813 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.586 8.454 -6.117 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.240 8.827 -5.220 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.751 7.163 -5.469 1.00 1.00 H new ATOM 1025 N ALA A 66 0.163 7.789 -2.969 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.183 6.921 -1.848 1.00 1.00 C ATOM 1027 C ALA A 66 -1.692 6.898 -1.632 1.00 1.00 C ATOM 1028 O ALA A 66 -2.297 5.830 -1.539 1.00 1.00 O ATOM 1029 CB ALA A 66 0.509 7.411 -0.574 1.00 1.00 C ATOM 0 H ALA A 66 0.800 8.551 -2.738 1.00 1.00 H new ATOM 0 HA ALA A 66 0.154 5.911 -2.079 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.245 6.758 0.258 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.589 7.397 -0.718 1.00 1.00 H new ATOM 0 HB3 ALA A 66 0.186 8.428 -0.353 1.00 1.00 H new ATOM 1035 N SER A 67 -2.292 8.079 -1.556 1.00 1.00 N ATOM 1036 CA SER A 67 -3.732 8.178 -1.352 1.00 1.00 C ATOM 1037 C SER A 67 -4.480 7.558 -2.526 1.00 1.00 C ATOM 1038 O SER A 67 -5.538 6.954 -2.355 1.00 1.00 O ATOM 1039 CB SER A 67 -4.139 9.644 -1.201 1.00 1.00 C ATOM 1040 OG SER A 67 -3.722 10.367 -2.351 1.00 1.00 O ATOM 0 H SER A 67 -1.809 8.974 -1.632 1.00 1.00 H new ATOM 0 HA SER A 67 -3.991 7.636 -0.443 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.219 9.723 -1.079 1.00 1.00 H new ATOM 0 HB3 SER A 67 -3.686 10.069 -0.306 1.00 1.00 H new ATOM 0 HG SER A 67 -3.022 9.864 -2.817 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.921 7.713 -3.721 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.538 7.170 -4.921 1.00 1.00 C ATOM 1048 C GLN A 68 -4.622 5.649 -4.844 1.00 1.00 C ATOM 1049 O GLN A 68 -5.707 5.076 -4.920 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.720 7.573 -6.149 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.598 8.368 -7.116 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.857 8.594 -8.430 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -3.814 9.716 -8.934 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -3.273 7.588 -9.022 1.00 1.00 N ATOM 0 H GLN A 68 -3.044 8.209 -3.882 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.548 7.573 -5.002 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.862 8.173 -5.845 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.329 6.685 -6.645 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.528 7.830 -7.301 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.867 9.326 -6.672 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -3.309 6.659 -8.603 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -2.780 7.731 -9.903 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.470 5.003 -4.698 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.431 3.544 -4.615 1.00 1.00 C ATOM 1065 C LEU A 69 -4.399 3.045 -3.547 1.00 1.00 C ATOM 1066 O LEU A 69 -4.943 1.947 -3.651 1.00 1.00 O ATOM 1067 CB LEU A 69 -2.010 3.074 -4.279 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.703 1.765 -5.017 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.269 1.331 -4.704 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.672 0.673 -4.559 1.00 1.00 C ATOM 0 H LEU A 69 -2.560 5.459 -4.635 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.728 3.136 -5.581 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.288 3.839 -4.563 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -1.911 2.927 -3.204 1.00 1.00 H new ATOM 0 HG LEU A 69 -1.816 1.922 -6.090 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -0.048 0.401 -5.227 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.425 2.105 -5.031 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.161 1.178 -3.630 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.450 -0.255 -5.086 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.562 0.516 -3.486 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.695 0.979 -4.778 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.609 3.860 -2.522 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.515 3.486 -1.442 1.00 1.00 C ATOM 1084 C LEU A 70 -6.966 3.663 -1.882 1.00 1.00 C ATOM 1085 O LEU A 70 -7.837 2.885 -1.503 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.241 4.347 -0.197 1.00 1.00 C ATOM 1087 CG LEU A 70 -4.891 3.460 1.009 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.306 4.329 2.125 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.154 2.769 1.527 1.00 1.00 C ATOM 0 H LEU A 70 -4.170 4.775 -2.415 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.345 2.438 -1.195 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.421 5.036 -0.398 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -6.117 4.953 0.033 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.164 2.709 0.702 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.057 3.702 2.981 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.405 4.826 1.765 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.039 5.078 2.425 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.901 2.142 2.382 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.881 3.521 1.832 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.581 2.151 0.737 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.215 4.687 -2.690 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.563 4.947 -3.178 1.00 1.00 C ATOM 1103 C GLN A 71 -8.871 4.071 -4.389 1.00 1.00 C ATOM 1104 O GLN A 71 -10.027 3.751 -4.661 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.703 6.422 -3.558 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.042 6.645 -4.258 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.611 8.008 -3.875 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -11.297 8.131 -2.861 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.364 9.043 -4.631 1.00 1.00 N ATOM 0 H GLN A 71 -6.508 5.345 -3.018 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.272 4.709 -2.385 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.639 7.046 -2.666 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -7.884 6.718 -4.214 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -9.911 6.587 -5.339 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -10.743 5.858 -3.979 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -9.795 8.937 -5.471 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.740 9.958 -4.382 1.00 1.00 H new ATOM 1118 N ILE A 72 -7.824 3.687 -5.116 1.00 1.00 N ATOM 1119 CA ILE A 72 -7.994 2.851 -6.299 1.00 1.00 C ATOM 1120 C ILE A 72 -8.285 1.406 -5.903 1.00 1.00 C ATOM 1121 O ILE A 72 -9.103 0.736 -6.532 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.729 2.905 -7.160 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.614 4.292 -7.800 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.811 1.843 -8.256 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.228 4.455 -8.429 1.00 1.00 C ATOM 0 H ILE A 72 -6.858 3.939 -4.908 1.00 1.00 H new ATOM 0 HA ILE A 72 -8.840 3.232 -6.871 1.00 1.00 H new ATOM 0 HB ILE A 72 -5.855 2.715 -6.538 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.386 4.418 -8.559 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -6.776 5.065 -7.049 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -5.910 1.882 -8.869 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -6.898 0.856 -7.801 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.683 2.032 -8.881 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.149 5.442 -8.884 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.464 4.348 -7.659 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.083 3.691 -9.193 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.613 0.928 -4.859 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.814 -0.442 -4.399 1.00 1.00 C ATOM 1139 C LEU A 73 -9.090 -0.551 -3.566 1.00 1.00 C ATOM 1140 O LEU A 73 -9.767 -1.578 -3.586 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.620 -0.902 -3.561 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.692 -2.422 -3.354 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -6.429 -3.157 -4.674 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.642 -2.841 -2.324 1.00 1.00 C ATOM 0 H LEU A 73 -6.931 1.463 -4.321 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.908 -1.082 -5.277 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.688 -0.636 -4.060 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.621 -0.393 -2.597 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.689 -2.683 -2.999 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -6.484 -4.233 -4.509 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -7.179 -2.864 -5.409 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.437 -2.897 -5.044 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.690 -3.920 -2.174 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.650 -2.568 -2.684 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -5.837 -2.334 -1.379 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.409 0.512 -2.834 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.609 0.513 -2.001 1.00 1.00 C ATOM 1158 C GLN A 74 -11.840 0.842 -2.840 1.00 1.00 C ATOM 1159 O GLN A 74 -12.973 0.646 -2.399 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.479 1.529 -0.859 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.369 1.090 0.100 1.00 1.00 C ATOM 1162 CD GLN A 74 -9.092 2.195 1.113 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.321 3.370 0.826 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -8.609 1.888 2.285 1.00 1.00 N ATOM 0 H GLN A 74 -8.863 1.373 -2.799 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.722 -0.484 -1.574 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.255 2.517 -1.262 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.425 1.611 -0.323 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.663 0.176 0.617 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.462 0.862 -0.460 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -8.420 0.913 2.520 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.420 2.623 2.967 1.00 1.00 H new ATOM 1173 N SER A 75 -11.612 1.333 -4.055 1.00 1.00 N ATOM 1174 CA SER A 75 -12.712 1.675 -4.948 1.00 1.00 C ATOM 1175 C SER A 75 -13.378 0.404 -5.463 1.00 1.00 C ATOM 1176 O SER A 75 -14.559 0.403 -5.809 1.00 1.00 O ATOM 1177 CB SER A 75 -12.195 2.499 -6.126 1.00 1.00 C ATOM 1178 OG SER A 75 -12.407 3.880 -5.861 1.00 1.00 O ATOM 0 H SER A 75 -10.683 1.502 -4.440 1.00 1.00 H new ATOM 0 HA SER A 75 -13.443 2.264 -4.395 1.00 1.00 H new ATOM 0 HB2 SER A 75 -11.134 2.305 -6.282 1.00 1.00 H new ATOM 0 HB3 SER A 75 -12.710 2.209 -7.042 1.00 1.00 H new ATOM 0 HG SER A 75 -11.642 4.239 -5.365 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.608 -0.678 -5.501 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.126 -1.960 -5.963 1.00 1.00 C ATOM 1186 C LEU A 76 -14.055 -2.558 -4.912 1.00 1.00 C ATOM 1187 O LEU A 76 -13.765 -2.512 -3.716 1.00 1.00 O ATOM 1188 CB LEU A 76 -11.970 -2.930 -6.243 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.020 -2.323 -7.279 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.838 -3.270 -7.505 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.760 -2.115 -8.605 1.00 1.00 C ATOM 0 H LEU A 76 -11.628 -0.693 -5.219 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.685 -1.798 -6.885 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.429 -3.141 -5.320 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.361 -3.880 -6.608 1.00 1.00 H new ATOM 0 HG LEU A 76 -10.658 -1.363 -6.912 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.162 -2.838 -8.243 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.305 -3.417 -6.566 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.205 -4.230 -7.868 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.079 -1.683 -9.338 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.127 -3.074 -8.971 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.602 -1.440 -8.450 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.175 -3.110 -5.363 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.142 -3.705 -4.444 1.00 1.00 C ATOM 1205 C HIS A 77 -15.496 -4.803 -3.596 1.00 1.00 C ATOM 1206 O HIS A 77 -15.549 -4.744 -2.369 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.345 -4.271 -5.208 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.561 -3.439 -4.908 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -18.932 -2.361 -5.695 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.502 -3.517 -3.911 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.053 -1.837 -5.165 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.442 -2.505 -4.076 1.00 1.00 N ATOM 0 H HIS A 77 -15.436 -3.159 -6.348 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.490 -2.916 -3.778 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.144 -4.268 -6.279 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.519 -5.307 -4.919 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -19.511 -4.252 -3.120 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -20.574 -0.982 -5.570 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -21.255 -2.314 -3.490 1.00 1.00 H new ATOM 1220 N PRO A 78 -14.892 -5.794 -4.210 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.233 -6.907 -3.462 1.00 1.00 C ATOM 1222 C PRO A 78 -12.864 -6.490 -2.900 1.00 1.00 C ATOM 1223 O PRO A 78 -11.942 -6.227 -3.673 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.062 -7.992 -4.525 1.00 1.00 C ATOM 1225 CG PRO A 78 -13.945 -7.259 -5.817 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.764 -5.975 -5.671 1.00 1.00 C ATOM 0 HA PRO A 78 -14.817 -7.226 -2.598 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.175 -8.595 -4.333 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -14.914 -8.672 -4.534 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -12.903 -7.030 -6.039 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.320 -7.866 -6.641 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.261 -5.127 -6.135 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.740 -6.068 -6.148 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.697 -6.423 -1.593 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.391 -6.029 -0.985 1.00 1.00 C ATOM 1236 C PRO A 79 -10.222 -6.795 -1.600 1.00 1.00 C ATOM 1237 O PRO A 79 -10.406 -7.591 -2.520 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.550 -6.380 0.496 1.00 1.00 C ATOM 1239 CG PRO A 79 -13.018 -6.354 0.759 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.712 -6.705 -0.559 1.00 1.00 C ATOM 0 HA PRO A 79 -11.166 -4.976 -1.152 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -11.130 -7.362 0.713 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -11.026 -5.663 1.127 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.284 -7.069 1.538 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.330 -5.370 1.110 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -14.021 -7.750 -0.580 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.609 -6.104 -0.708 1.00 1.00 H new ATOM 1248 N LEU A 80 -9.022 -6.558 -1.082 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.840 -7.243 -1.591 1.00 1.00 C ATOM 1250 C LEU A 80 -7.741 -8.633 -0.977 1.00 1.00 C ATOM 1251 O LEU A 80 -7.637 -8.773 0.240 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.584 -6.429 -1.257 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.339 -7.100 -1.855 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.447 -7.143 -3.381 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.096 -6.299 -1.460 1.00 1.00 C ATOM 0 H LEU A 80 -8.843 -5.905 -0.319 1.00 1.00 H new ATOM 0 HA LEU A 80 -7.922 -7.341 -2.673 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.684 -5.417 -1.649 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.475 -6.343 -0.176 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.263 -8.118 -1.473 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.559 -7.621 -3.795 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.332 -7.711 -3.667 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.527 -6.127 -3.769 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.209 -6.772 -1.882 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.182 -5.282 -1.842 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -4.010 -6.272 -0.374 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.782 -9.658 -1.827 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.703 -11.038 -1.352 1.00 1.00 C ATOM 1269 C LYS A 81 -6.488 -11.743 -1.942 1.00 1.00 C ATOM 1270 O LYS A 81 -6.353 -11.861 -3.159 1.00 1.00 O ATOM 1271 CB LYS A 81 -8.982 -11.796 -1.735 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.005 -13.179 -1.054 1.00 1.00 C ATOM 1273 CD LYS A 81 -8.084 -14.177 -1.775 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.813 -15.511 -1.928 1.00 1.00 C ATOM 1275 NZ LYS A 81 -10.015 -15.324 -2.789 1.00 1.00 N ATOM 0 H LYS A 81 -7.869 -9.561 -2.839 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.602 -11.024 -0.267 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.858 -11.221 -1.436 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -9.033 -11.915 -2.817 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -8.692 -13.079 -0.015 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.025 -13.564 -1.045 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.802 -13.789 -2.754 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.163 -14.315 -1.209 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -8.148 -16.253 -2.370 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.108 -15.890 -0.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -10.874 -15.398 -2.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -9.980 -14.385 -3.235 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -10.032 -16.058 -3.526 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.614 -12.215 -1.061 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.410 -12.921 -1.477 1.00 1.00 C ATOM 1291 C ILE A 82 -4.381 -14.300 -0.832 1.00 1.00 C ATOM 1292 O ILE A 82 -4.697 -14.436 0.351 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.173 -12.122 -1.059 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.233 -10.728 -1.689 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -1.906 -12.837 -1.533 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -2.111 -9.858 -1.118 1.00 1.00 C ATOM 0 H ILE A 82 -5.718 -12.121 -0.051 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.410 -13.033 -2.561 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.152 -12.036 0.027 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.134 -10.803 -2.772 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -4.201 -10.269 -1.489 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -1.030 -12.263 -1.232 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.860 -13.830 -1.086 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -1.924 -12.928 -2.619 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.155 -8.866 -1.568 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -2.231 -9.773 -0.038 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -1.147 -10.315 -1.341 1.00 1.00 H new ATOM 1308 N ASP A 83 -4.018 -15.320 -1.617 1.00 1.00 N ATOM 1309 CA ASP A 83 -3.963 -16.695 -1.117 1.00 1.00 C ATOM 1310 C ASP A 83 -3.602 -16.724 0.364 1.00 1.00 C ATOM 1311 O ASP A 83 -2.446 -16.518 0.738 1.00 1.00 O ATOM 1312 CB ASP A 83 -2.930 -17.496 -1.911 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.221 -17.388 -3.404 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -2.705 -16.470 -4.023 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -3.953 -18.223 -3.908 1.00 1.00 O ATOM 0 H ASP A 83 -3.759 -15.218 -2.598 1.00 1.00 H new ATOM 0 HA ASP A 83 -4.949 -17.142 -1.242 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -1.928 -17.123 -1.700 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -2.953 -18.541 -1.602 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.602 -16.973 1.201 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.392 -17.019 2.640 1.00 1.00 C ATOM 1322 C GLY A 84 -5.596 -16.451 3.385 1.00 1.00 C ATOM 1323 O GLY A 84 -6.235 -17.148 4.175 1.00 1.00 O ATOM 0 H GLY A 84 -5.564 -17.146 0.908 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.218 -18.048 2.953 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.498 -16.452 2.899 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.904 -15.182 3.128 1.00 1.00 N ATOM 1328 CA LYS A 85 -7.036 -14.533 3.781 1.00 1.00 C ATOM 1329 C LYS A 85 -7.249 -13.130 3.218 1.00 1.00 C ATOM 1330 O LYS A 85 -6.486 -12.668 2.371 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.791 -14.447 5.289 1.00 1.00 C ATOM 1332 CG LYS A 85 -5.310 -14.171 5.554 1.00 1.00 C ATOM 1333 CD LYS A 85 -5.139 -13.629 6.975 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.868 -14.211 7.595 1.00 1.00 C ATOM 1335 NZ LYS A 85 -3.690 -13.662 8.970 1.00 1.00 N ATOM 0 H LYS A 85 -5.390 -14.588 2.478 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.929 -15.128 3.591 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.402 -13.655 5.722 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -7.089 -15.379 5.770 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.731 -15.086 5.430 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.928 -13.451 4.830 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -5.081 -12.541 6.956 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -6.005 -13.891 7.582 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -3.933 -15.298 7.632 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -3.004 -13.964 6.978 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.684 -13.455 9.134 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -4.244 -12.787 9.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -4.018 -14.360 9.668 1.00 1.00 H new ATOM 1349 N THR A 86 -8.296 -12.460 3.693 1.00 1.00 N ATOM 1350 CA THR A 86 -8.602 -11.111 3.229 1.00 1.00 C ATOM 1351 C THR A 86 -7.481 -10.145 3.599 1.00 1.00 C ATOM 1352 O THR A 86 -6.914 -10.225 4.688 1.00 1.00 O ATOM 1353 CB THR A 86 -9.917 -10.632 3.851 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.245 -9.351 3.331 1.00 1.00 O ATOM 1355 CG2 THR A 86 -9.761 -10.544 5.370 1.00 1.00 C ATOM 0 H THR A 86 -8.941 -12.826 4.393 1.00 1.00 H new ATOM 0 HA THR A 86 -8.699 -11.135 2.144 1.00 1.00 H new ATOM 0 HB THR A 86 -10.713 -11.337 3.610 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.087 -9.043 3.726 1.00 1.00 H new ATOM 0 HG21 THR A 86 -10.697 -10.203 5.813 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.508 -11.527 5.767 1.00 1.00 H new ATOM 0 HG23 THR A 86 -8.966 -9.839 5.614 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.168 -9.235 2.678 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.111 -8.252 2.905 1.00 1.00 C ATOM 1365 C ILE A 87 -6.679 -6.835 2.867 1.00 1.00 C ATOM 1366 O ILE A 87 -7.460 -6.490 1.975 1.00 1.00 O ATOM 1367 CB ILE A 87 -5.024 -8.395 1.835 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.459 -9.823 1.853 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -3.901 -7.391 2.109 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.305 -9.926 2.853 1.00 1.00 C ATOM 0 H ILE A 87 -7.629 -9.158 1.771 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.679 -8.433 3.889 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.456 -8.196 0.854 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -5.245 -10.529 2.121 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -4.111 -10.096 0.857 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.128 -7.493 1.347 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.304 -6.379 2.084 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.471 -7.586 3.091 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.915 -10.944 2.855 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.513 -9.234 2.567 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.664 -9.674 3.851 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.283 -6.021 3.846 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.755 -4.641 3.929 1.00 1.00 C ATOM 1384 C GLY A 88 -5.618 -3.650 3.699 1.00 1.00 C ATOM 1385 O GLY A 88 -4.453 -4.037 3.598 1.00 1.00 O ATOM 0 H GLY A 88 -5.639 -6.293 4.589 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.538 -4.477 3.189 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.201 -4.465 4.908 1.00 1.00 H new ATOM 1389 N VAL A 89 -5.968 -2.368 3.619 1.00 1.00 N ATOM 1390 CA VAL A 89 -4.975 -1.318 3.405 1.00 1.00 C ATOM 1391 C VAL A 89 -5.188 -0.178 4.396 1.00 1.00 C ATOM 1392 O VAL A 89 -6.321 0.204 4.685 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.083 -0.779 1.979 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -3.874 0.106 1.672 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.121 -1.945 0.991 1.00 1.00 C ATOM 0 H VAL A 89 -6.928 -2.032 3.699 1.00 1.00 H new ATOM 0 HA VAL A 89 -3.983 -1.743 3.558 1.00 1.00 H new ATOM 0 HB VAL A 89 -5.997 -0.192 1.885 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -3.953 0.489 0.655 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.846 0.940 2.373 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.960 -0.480 1.769 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.198 -1.558 -0.025 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.208 -2.533 1.087 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -5.984 -2.576 1.206 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.089 0.363 4.914 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.170 1.461 5.872 1.00 1.00 C ATOM 1407 C ASP A 90 -3.035 2.455 5.646 1.00 1.00 C ATOM 1408 O ASP A 90 -2.005 2.114 5.064 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.096 0.914 7.299 1.00 1.00 C ATOM 1410 CG ASP A 90 -4.273 -0.600 7.286 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -3.378 -1.278 6.809 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -5.303 -1.060 7.749 1.00 1.00 O ATOM 0 H ASP A 90 -3.140 0.063 4.689 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.121 1.975 5.728 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -3.137 1.173 7.747 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.869 1.374 7.914 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.231 3.685 6.111 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.216 4.721 5.956 1.00 1.00 C ATOM 1419 C PHE A 91 -1.064 4.491 6.930 1.00 1.00 C ATOM 1420 O PHE A 91 -1.132 3.613 7.791 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.835 6.094 6.218 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.474 6.617 4.952 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.675 6.937 3.848 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.862 6.785 4.885 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -3.266 7.424 2.675 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.452 7.273 3.713 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.654 7.593 2.608 1.00 1.00 C ATOM 0 H PHE A 91 -4.077 3.987 6.595 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.831 4.680 4.937 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.581 6.022 7.010 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.069 6.788 6.564 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.604 6.809 3.901 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.478 6.538 5.737 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.651 7.669 1.822 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.523 7.403 3.661 1.00 1.00 H new ATOM 0 HZ PHE A 91 -5.109 7.970 1.704 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.008 5.285 6.787 1.00 1.00 N ATOM 1438 CA ALA A 92 1.153 5.159 7.661 1.00 1.00 C ATOM 1439 C ALA A 92 0.773 5.471 9.104 1.00 1.00 C ATOM 1440 O ALA A 92 0.557 6.630 9.464 1.00 1.00 O ATOM 1441 CB ALA A 92 2.256 6.116 7.204 1.00 1.00 C ATOM 0 H ALA A 92 0.068 6.017 6.081 1.00 1.00 H new ATOM 0 HA ALA A 92 1.516 4.133 7.606 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.120 6.016 7.861 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.548 5.873 6.182 1.00 1.00 H new ATOM 0 HB3 ALA A 92 1.887 7.141 7.242 1.00 1.00 H new ATOM 1447 N LYS A 93 0.692 4.432 9.929 1.00 1.00 N ATOM 1448 CA LYS A 93 0.336 4.607 11.331 1.00 1.00 C ATOM 1449 C LYS A 93 1.554 5.036 12.143 1.00 1.00 C ATOM 1450 O LYS A 93 2.676 4.611 11.868 1.00 1.00 O ATOM 1451 CB LYS A 93 -0.223 3.300 11.897 1.00 1.00 C ATOM 1452 CG LYS A 93 -1.532 2.954 11.188 1.00 1.00 C ATOM 1453 CD LYS A 93 -2.709 3.225 12.128 1.00 1.00 C ATOM 1454 CE LYS A 93 -4.022 2.926 11.404 1.00 1.00 C ATOM 1455 NZ LYS A 93 -4.112 1.465 11.121 1.00 1.00 N ATOM 0 H LYS A 93 0.867 3.466 9.653 1.00 1.00 H new ATOM 0 HA LYS A 93 -0.424 5.385 11.398 1.00 1.00 H new ATOM 0 HB2 LYS A 93 0.499 2.495 11.762 1.00 1.00 H new ATOM 0 HB3 LYS A 93 -0.393 3.399 12.969 1.00 1.00 H new ATOM 0 HG2 LYS A 93 -1.634 3.548 10.280 1.00 1.00 H new ATOM 0 HG3 LYS A 93 -1.528 1.907 10.885 1.00 1.00 H new ATOM 0 HD2 LYS A 93 -2.625 2.605 13.021 1.00 1.00 H new ATOM 0 HD3 LYS A 93 -2.692 4.264 12.458 1.00 1.00 H new ATOM 0 HE2 LYS A 93 -4.867 3.241 12.016 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -4.074 3.491 10.474 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -5.097 1.214 10.899 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -3.504 1.230 10.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -3.798 0.930 11.956 1.00 1.00 H new ATOM 1469 N SER A 94 1.325 5.880 13.144 1.00 1.00 N ATOM 1470 CA SER A 94 2.412 6.360 13.990 1.00 1.00 C ATOM 1471 C SER A 94 2.827 5.286 14.989 1.00 1.00 C ATOM 1472 O SER A 94 3.111 5.580 16.150 1.00 1.00 O ATOM 1473 CB SER A 94 1.972 7.616 14.742 1.00 1.00 C ATOM 1474 OG SER A 94 1.720 8.659 13.809 1.00 1.00 O ATOM 0 H SER A 94 0.404 6.243 13.388 1.00 1.00 H new ATOM 0 HA SER A 94 3.265 6.598 13.354 1.00 1.00 H new ATOM 0 HB2 SER A 94 1.074 7.409 15.325 1.00 1.00 H new ATOM 0 HB3 SER A 94 2.746 7.922 15.446 1.00 1.00 H new ATOM 0 HG SER A 94 1.436 9.465 14.288 1.00 1.00 H new ATOM 1480 N ALA A 95 2.862 4.039 14.530 1.00 1.00 N ATOM 1481 CA ALA A 95 3.246 2.928 15.392 1.00 1.00 C ATOM 1482 C ALA A 95 4.756 2.916 15.610 1.00 1.00 C ATOM 1483 O ALA A 95 5.400 3.876 15.220 1.00 1.00 O ATOM 1484 CB ALA A 95 2.809 1.604 14.764 1.00 1.00 C ATOM 1485 OXT ALA A 95 5.247 1.945 16.165 1.00 1.00 O ATOM 0 H ALA A 95 2.631 3.774 13.573 1.00 1.00 H new ATOM 0 HA ALA A 95 2.752 3.053 16.356 1.00 1.00 H new ATOM 0 HB1 ALA A 95 3.100 0.779 15.415 1.00 1.00 H new ATOM 0 HB2 ALA A 95 1.726 1.601 14.637 1.00 1.00 H new ATOM 0 HB3 ALA A 95 3.289 1.486 13.792 1.00 1.00 H new TER 1491 ALA A 95