USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 662 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 150 ZNZN :(H bumps) USER MOD Set 1.1: A 69 THR OG1 : rot 28:sc= 1.93 USER MOD Set 1.2: A 70 ASN : amide:sc= -3.36! K(o=-1.4!,f=0.82) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 66 TYR OH : rot 179:sc= -1.18 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00483 (180deg=-0.185) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0198 X(o=-0.02,f=-0.02) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.512 K(o=-0.51,f=-4.5!) USER MOD Single : A 11 ASN : amide:sc= 0.382 K(o=0.38,f=-9.8!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 161:sc= -0.0236 (180deg=-0.16) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.558 K(o=0.56,f=-7.7!) USER MOD Single : A 36 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 43 MET CE :methyl 158:sc= -1.18 (180deg=-2.33!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 40:sc= -0.0844 USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0.914) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -105:sc= 0.619 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.1 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 84:sc= 0.385 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0678 K(o=-0.068,f=-0.61) USER MOD Single : A 68 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.83) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -44:sc= -0.2 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0646 X(o=-0.065,f=-0.0069) USER MOD Single : A 79 LYS NZ :NH3+ 161:sc= -0.063 (180deg=-0.383) USER MOD Single : A 82 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.0061) USER MOD Single : A 83 HIS : no HE2:sc= 0.33 K(o=0.33,f=-1.2) USER MOD Single : A 84 HIS : no HD1:sc= 0.294 K(o=0.29,f=-1.3) USER MOD Single : A 85 HIS : no HE2:sc= 0.755 K(o=0.75,f=-2.5!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 87 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.717 -6.087 -9.742 1.00 0.00 N ATOM 2 CA MET A 1 -15.157 -5.922 -8.337 1.00 0.00 C ATOM 3 C MET A 1 -13.950 -5.823 -7.413 1.00 0.00 C ATOM 4 O MET A 1 -13.572 -4.732 -6.984 1.00 0.00 O ATOM 5 CB MET A 1 -16.048 -7.094 -7.909 1.00 0.00 C ATOM 6 CG MET A 1 -17.368 -7.169 -8.659 1.00 0.00 C ATOM 7 SD MET A 1 -18.476 -5.800 -8.264 1.00 0.00 S ATOM 8 CE MET A 1 -19.820 -6.118 -9.408 1.00 0.00 C ATOM 0 H1 MET A 1 -15.525 -5.933 -10.379 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.971 -5.395 -9.956 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.346 -7.049 -9.879 1.00 0.00 H new ATOM 0 HA MET A 1 -15.735 -5.000 -8.266 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.503 -8.026 -8.059 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.252 -7.012 -6.841 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.172 -7.174 -9.731 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.863 -8.111 -8.421 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.589 -5.355 -9.287 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.442 -6.093 -10.430 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.248 -7.099 -9.203 1.00 0.00 H new ATOM 20 N ALA A 2 -13.339 -6.965 -7.124 1.00 0.00 N ATOM 21 CA ALA A 2 -12.155 -7.012 -6.282 1.00 0.00 C ATOM 22 C ALA A 2 -11.266 -8.176 -6.697 1.00 0.00 C ATOM 23 O ALA A 2 -11.380 -9.284 -6.168 1.00 0.00 O ATOM 24 CB ALA A 2 -12.539 -7.126 -4.812 1.00 0.00 C ATOM 0 H ALA A 2 -13.648 -7.876 -7.464 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.600 -6.083 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.636 -7.160 -4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.139 -6.263 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.116 -8.037 -4.656 1.00 0.00 H new ATOM 30 N ASP A 3 -10.416 -7.934 -7.682 1.00 0.00 N ATOM 31 CA ASP A 3 -9.529 -8.969 -8.195 1.00 0.00 C ATOM 32 C ASP A 3 -8.458 -9.318 -7.166 1.00 0.00 C ATOM 33 O ASP A 3 -8.010 -10.460 -7.084 1.00 0.00 O ATOM 34 CB ASP A 3 -8.891 -8.515 -9.507 1.00 0.00 C ATOM 35 CG ASP A 3 -8.108 -9.618 -10.189 1.00 0.00 C ATOM 36 OD1 ASP A 3 -8.706 -10.668 -10.515 1.00 0.00 O ATOM 37 OD2 ASP A 3 -6.897 -9.430 -10.427 1.00 0.00 O ATOM 0 H ASP A 3 -10.321 -7.029 -8.143 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.117 -9.866 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.670 -8.158 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.228 -7.672 -9.311 1.00 0.00 H new ATOM 42 N TYR A 4 -8.063 -8.331 -6.372 1.00 0.00 N ATOM 43 CA TYR A 4 -7.141 -8.558 -5.270 1.00 0.00 C ATOM 44 C TYR A 4 -7.886 -8.417 -3.949 1.00 0.00 C ATOM 45 O TYR A 4 -8.707 -7.513 -3.790 1.00 0.00 O ATOM 46 CB TYR A 4 -5.962 -7.581 -5.333 1.00 0.00 C ATOM 47 CG TYR A 4 -5.113 -7.738 -6.577 1.00 0.00 C ATOM 48 CD1 TYR A 4 -4.108 -8.696 -6.638 1.00 0.00 C ATOM 49 CD2 TYR A 4 -5.321 -6.933 -7.691 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.334 -8.848 -7.772 1.00 0.00 C ATOM 51 CE2 TYR A 4 -4.553 -7.081 -8.831 1.00 0.00 C ATOM 52 CZ TYR A 4 -3.561 -8.039 -8.866 1.00 0.00 C ATOM 53 OH TYR A 4 -2.799 -8.191 -10.004 1.00 0.00 O ATOM 0 H TYR A 4 -8.369 -7.363 -6.472 1.00 0.00 H new ATOM 0 HA TYR A 4 -6.738 -9.568 -5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.343 -6.561 -5.289 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.334 -7.725 -4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.929 -9.333 -5.784 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.095 -6.180 -7.666 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.556 -9.596 -7.802 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.729 -6.450 -9.690 1.00 0.00 H new ATOM 0 HH TYR A 4 -3.089 -7.544 -10.681 1.00 0.00 H new ATOM 63 N ASN A 5 -7.597 -9.310 -3.010 1.00 0.00 N ATOM 64 CA ASN A 5 -8.352 -9.389 -1.762 1.00 0.00 C ATOM 65 C ASN A 5 -7.816 -8.406 -0.723 1.00 0.00 C ATOM 66 O ASN A 5 -8.480 -8.111 0.273 1.00 0.00 O ATOM 67 CB ASN A 5 -8.305 -10.824 -1.218 1.00 0.00 C ATOM 68 CG ASN A 5 -9.211 -11.040 -0.017 1.00 0.00 C ATOM 69 OD1 ASN A 5 -8.786 -10.916 1.134 1.00 0.00 O ATOM 70 ND2 ASN A 5 -10.468 -11.366 -0.276 1.00 0.00 N ATOM 0 H ASN A 5 -6.843 -9.992 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.387 -9.116 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.592 -11.515 -2.010 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.279 -11.066 -0.939 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.122 -11.524 0.490 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.782 -11.459 -1.242 1.00 0.00 H new ATOM 77 N ILE A 6 -6.617 -7.890 -0.961 1.00 0.00 N ATOM 78 CA ILE A 6 -5.994 -6.951 -0.037 1.00 0.00 C ATOM 79 C ILE A 6 -6.653 -5.574 -0.130 1.00 0.00 C ATOM 80 O ILE A 6 -7.240 -5.229 -1.160 1.00 0.00 O ATOM 81 CB ILE A 6 -4.472 -6.823 -0.289 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.190 -6.385 -1.730 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.776 -8.143 0.018 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.719 -6.155 -2.019 1.00 0.00 C ATOM 0 H ILE A 6 -6.057 -8.106 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.140 -7.348 0.968 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.076 -6.056 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.571 -7.144 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.740 -5.467 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.706 -8.041 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.944 -8.409 1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.180 -8.925 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.596 -5.847 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.337 -5.374 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.166 -7.078 -1.846 1.00 0.00 H new ATOM 96 N PRO A 7 -6.582 -4.782 0.960 1.00 0.00 N ATOM 97 CA PRO A 7 -7.176 -3.440 1.015 1.00 0.00 C ATOM 98 C PRO A 7 -6.734 -2.562 -0.153 1.00 0.00 C ATOM 99 O PRO A 7 -5.579 -2.605 -0.577 1.00 0.00 O ATOM 100 CB PRO A 7 -6.658 -2.873 2.338 1.00 0.00 C ATOM 101 CG PRO A 7 -6.385 -4.071 3.178 1.00 0.00 C ATOM 102 CD PRO A 7 -5.921 -5.140 2.229 1.00 0.00 C ATOM 0 HA PRO A 7 -8.264 -3.474 0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.756 -2.279 2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.395 -2.221 2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.624 -3.857 3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.281 -4.385 3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.836 -5.145 2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.214 -6.133 2.568 1.00 0.00 H new ATOM 110 N HIS A 8 -7.657 -1.764 -0.669 1.00 0.00 N ATOM 111 CA HIS A 8 -7.377 -0.942 -1.834 1.00 0.00 C ATOM 112 C HIS A 8 -6.903 0.448 -1.427 1.00 0.00 C ATOM 113 O HIS A 8 -7.656 1.240 -0.859 1.00 0.00 O ATOM 114 CB HIS A 8 -8.609 -0.833 -2.735 1.00 0.00 C ATOM 115 CG HIS A 8 -9.066 -2.138 -3.313 1.00 0.00 C ATOM 116 ND1 HIS A 8 -10.390 -2.428 -3.548 1.00 0.00 N ATOM 117 CD2 HIS A 8 -8.365 -3.220 -3.728 1.00 0.00 C ATOM 118 CE1 HIS A 8 -10.486 -3.632 -4.081 1.00 0.00 C ATOM 119 NE2 HIS A 8 -9.271 -4.135 -4.203 1.00 0.00 N ATOM 0 H HIS A 8 -8.603 -1.669 -0.300 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.577 -1.428 -2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.427 -0.396 -2.162 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -8.389 -0.145 -3.551 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.292 -3.340 -3.692 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -11.404 -4.123 -4.369 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.043 -5.052 -4.587 1.00 0.00 H new ATOM 128 N PHE A 9 -5.643 0.721 -1.710 1.00 0.00 N ATOM 129 CA PHE A 9 -5.050 2.031 -1.480 1.00 0.00 C ATOM 130 C PHE A 9 -4.901 2.775 -2.803 1.00 0.00 C ATOM 131 O PHE A 9 -5.345 2.287 -3.842 1.00 0.00 O ATOM 132 CB PHE A 9 -3.703 1.899 -0.768 1.00 0.00 C ATOM 133 CG PHE A 9 -3.831 1.435 0.657 1.00 0.00 C ATOM 134 CD1 PHE A 9 -4.003 2.350 1.683 1.00 0.00 C ATOM 135 CD2 PHE A 9 -3.782 0.086 0.971 1.00 0.00 C ATOM 136 CE1 PHE A 9 -4.122 1.930 2.994 1.00 0.00 C ATOM 137 CE2 PHE A 9 -3.901 -0.340 2.280 1.00 0.00 C ATOM 138 CZ PHE A 9 -4.070 0.582 3.293 1.00 0.00 C ATOM 0 H PHE A 9 -4.997 0.039 -2.108 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.711 2.607 -0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.076 1.197 -1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.194 2.863 -0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.045 3.405 1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.649 -0.641 0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.255 2.654 3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.862 -1.394 2.510 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.161 0.251 4.317 1.00 0.00 H new ATOM 148 N GLN A 10 -4.264 3.935 -2.772 1.00 0.00 N ATOM 149 CA GLN A 10 -4.234 4.820 -3.932 1.00 0.00 C ATOM 150 C GLN A 10 -2.829 4.921 -4.513 1.00 0.00 C ATOM 151 O GLN A 10 -1.934 4.158 -4.144 1.00 0.00 O ATOM 152 CB GLN A 10 -4.712 6.220 -3.532 1.00 0.00 C ATOM 153 CG GLN A 10 -6.218 6.345 -3.363 1.00 0.00 C ATOM 154 CD GLN A 10 -6.954 6.389 -4.688 1.00 0.00 C ATOM 155 OE1 GLN A 10 -6.513 5.815 -5.680 1.00 0.00 O ATOM 156 NE2 GLN A 10 -8.076 7.090 -4.717 1.00 0.00 N ATOM 0 H GLN A 10 -3.760 4.288 -1.958 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.896 4.401 -4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.229 6.502 -2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.383 6.933 -4.288 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.585 5.503 -2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.442 7.249 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.410 7.553 -3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.607 7.167 -5.585 1.00 0.00 H new ATOM 165 N ASN A 11 -2.658 5.865 -5.430 1.00 0.00 N ATOM 166 CA ASN A 11 -1.425 5.997 -6.195 1.00 0.00 C ATOM 167 C ASN A 11 -0.294 6.515 -5.315 1.00 0.00 C ATOM 168 O ASN A 11 -0.417 7.556 -4.668 1.00 0.00 O ATOM 169 CB ASN A 11 -1.661 6.932 -7.386 1.00 0.00 C ATOM 170 CG ASN A 11 -0.557 6.868 -8.427 1.00 0.00 C ATOM 171 OD1 ASN A 11 0.598 6.612 -8.114 1.00 0.00 O ATOM 172 ND2 ASN A 11 -0.915 7.100 -9.681 1.00 0.00 N ATOM 0 H ASN A 11 -3.368 6.559 -5.664 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.130 5.016 -6.567 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.610 6.677 -7.857 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.750 7.956 -7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.218 7.068 -10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.888 7.310 -9.903 1.00 0.00 H new ATOM 179 N ASP A 12 0.811 5.779 -5.311 1.00 0.00 N ATOM 180 CA ASP A 12 1.944 6.074 -4.444 1.00 0.00 C ATOM 181 C ASP A 12 2.924 7.042 -5.102 1.00 0.00 C ATOM 182 O ASP A 12 4.011 7.285 -4.583 1.00 0.00 O ATOM 183 CB ASP A 12 2.655 4.769 -4.034 1.00 0.00 C ATOM 184 CG ASP A 12 3.146 3.925 -5.206 1.00 0.00 C ATOM 185 OD1 ASP A 12 2.474 3.864 -6.248 1.00 0.00 O ATOM 186 OD2 ASP A 12 4.220 3.278 -5.086 1.00 0.00 O ATOM 0 H ASP A 12 0.946 4.963 -5.907 1.00 0.00 H new ATOM 0 HA ASP A 12 1.561 6.563 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.505 5.017 -3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.971 4.170 -3.432 1.00 0.00 H new ATOM 191 N LEU A 13 2.524 7.616 -6.230 1.00 0.00 N ATOM 192 CA LEU A 13 3.342 8.607 -6.927 1.00 0.00 C ATOM 193 C LEU A 13 3.005 10.026 -6.470 1.00 0.00 C ATOM 194 O LEU A 13 3.280 10.999 -7.177 1.00 0.00 O ATOM 195 CB LEU A 13 3.133 8.492 -8.440 1.00 0.00 C ATOM 196 CG LEU A 13 3.623 7.189 -9.073 1.00 0.00 C ATOM 197 CD1 LEU A 13 3.246 7.137 -10.543 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.128 7.060 -8.908 1.00 0.00 C ATOM 0 H LEU A 13 1.634 7.412 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 13 4.386 8.407 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.069 8.602 -8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.642 9.325 -8.924 1.00 0.00 H new ATOM 0 HG LEU A 13 3.142 6.353 -8.565 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.603 6.203 -10.977 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.162 7.193 -10.643 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.702 7.978 -11.066 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.465 6.128 -9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.621 7.901 -9.396 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.379 7.058 -7.847 1.00 0.00 H new ATOM 210 N GLY A 14 2.417 10.144 -5.289 1.00 0.00 N ATOM 211 CA GLY A 14 2.031 11.448 -4.782 1.00 0.00 C ATOM 212 C GLY A 14 2.923 11.928 -3.653 1.00 0.00 C ATOM 213 O GLY A 14 3.731 12.841 -3.836 1.00 0.00 O ATOM 0 H GLY A 14 2.200 9.362 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.061 12.173 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.000 11.406 -4.431 1.00 0.00 H new ATOM 217 N TYR A 15 2.777 11.314 -2.489 1.00 0.00 N ATOM 218 CA TYR A 15 3.544 11.705 -1.315 1.00 0.00 C ATOM 219 C TYR A 15 4.802 10.856 -1.216 1.00 0.00 C ATOM 220 O TYR A 15 4.728 9.631 -1.233 1.00 0.00 O ATOM 221 CB TYR A 15 2.696 11.541 -0.053 1.00 0.00 C ATOM 222 CG TYR A 15 1.362 12.247 -0.129 1.00 0.00 C ATOM 223 CD1 TYR A 15 1.245 13.586 0.220 1.00 0.00 C ATOM 224 CD2 TYR A 15 0.223 11.577 -0.557 1.00 0.00 C ATOM 225 CE1 TYR A 15 0.029 14.236 0.144 1.00 0.00 C ATOM 226 CE2 TYR A 15 -0.995 12.221 -0.635 1.00 0.00 C ATOM 227 CZ TYR A 15 -1.087 13.550 -0.283 1.00 0.00 C ATOM 228 OH TYR A 15 -2.298 14.195 -0.365 1.00 0.00 O ATOM 0 H TYR A 15 2.132 10.540 -2.331 1.00 0.00 H new ATOM 0 HA TYR A 15 3.829 12.753 -1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.527 10.479 0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.253 11.924 0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.118 14.127 0.556 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.292 10.535 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.047 15.278 0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.871 11.686 -0.970 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.981 13.569 -0.684 1.00 0.00 H new ATOM 238 N LYS A 16 5.952 11.505 -1.100 1.00 0.00 N ATOM 239 CA LYS A 16 7.224 10.796 -1.163 1.00 0.00 C ATOM 240 C LYS A 16 7.604 10.156 0.168 1.00 0.00 C ATOM 241 O LYS A 16 8.599 9.431 0.251 1.00 0.00 O ATOM 242 CB LYS A 16 8.329 11.722 -1.662 1.00 0.00 C ATOM 243 CG LYS A 16 8.066 12.233 -3.067 1.00 0.00 C ATOM 244 CD LYS A 16 9.335 12.707 -3.747 1.00 0.00 C ATOM 245 CE LYS A 16 9.055 13.141 -5.177 1.00 0.00 C ATOM 246 NZ LYS A 16 10.302 13.371 -5.951 1.00 0.00 N ATOM 0 H LYS A 16 6.032 12.513 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 16 7.102 9.981 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.424 12.569 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.280 11.190 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.611 11.441 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.349 13.053 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.763 13.539 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.075 11.906 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.456 12.378 -5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.462 14.056 -5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.061 13.665 -6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.863 14.117 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.857 12.492 -5.984 1.00 0.00 H new ATOM 260 N ILE A 17 6.819 10.424 1.202 1.00 0.00 N ATOM 261 CA ILE A 17 6.963 9.735 2.478 1.00 0.00 C ATOM 262 C ILE A 17 5.582 9.415 3.035 1.00 0.00 C ATOM 263 O ILE A 17 4.842 10.320 3.422 1.00 0.00 O ATOM 264 CB ILE A 17 7.743 10.580 3.517 1.00 0.00 C ATOM 265 CG1 ILE A 17 9.155 10.899 3.010 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.808 9.852 4.855 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.975 11.740 3.967 1.00 0.00 C ATOM 0 H ILE A 17 6.071 11.118 1.182 1.00 0.00 H new ATOM 0 HA ILE A 17 7.530 8.822 2.297 1.00 0.00 H new ATOM 0 HB ILE A 17 7.212 11.521 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.682 9.964 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.079 11.421 2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.359 10.459 5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.797 9.680 5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.314 8.896 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.960 11.923 3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.471 12.691 4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.084 11.211 4.914 1.00 0.00 H new ATOM 279 N ILE A 18 5.226 8.140 3.058 1.00 0.00 N ATOM 280 CA ILE A 18 3.919 7.734 3.583 1.00 0.00 C ATOM 281 C ILE A 18 4.041 6.688 4.695 1.00 0.00 C ATOM 282 O ILE A 18 4.730 5.684 4.550 1.00 0.00 O ATOM 283 CB ILE A 18 2.999 7.194 2.458 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.557 8.343 1.548 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.786 6.467 3.031 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.573 7.935 0.469 1.00 0.00 C ATOM 0 H ILE A 18 5.810 7.373 2.725 1.00 0.00 H new ATOM 0 HA ILE A 18 3.470 8.631 4.008 1.00 0.00 H new ATOM 0 HB ILE A 18 3.567 6.473 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.105 9.124 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.438 8.778 1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.162 6.101 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.120 5.625 3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.209 7.154 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.310 8.806 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.027 7.177 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.674 7.529 0.932 1.00 0.00 H new ATOM 298 N GLU A 19 3.338 6.921 5.797 1.00 0.00 N ATOM 299 CA GLU A 19 3.290 5.959 6.886 1.00 0.00 C ATOM 300 C GLU A 19 2.105 5.027 6.679 1.00 0.00 C ATOM 301 O GLU A 19 1.050 5.452 6.215 1.00 0.00 O ATOM 302 CB GLU A 19 3.141 6.657 8.246 1.00 0.00 C ATOM 303 CG GLU A 19 4.355 7.456 8.698 1.00 0.00 C ATOM 304 CD GLU A 19 4.526 8.765 7.958 1.00 0.00 C ATOM 305 OE1 GLU A 19 3.513 9.343 7.505 1.00 0.00 O ATOM 306 OE2 GLU A 19 5.675 9.241 7.857 1.00 0.00 O ATOM 0 H GLU A 19 2.794 7.769 5.958 1.00 0.00 H new ATOM 0 HA GLU A 19 4.226 5.400 6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.281 7.326 8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.920 5.903 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.269 7.660 9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.251 6.850 8.560 1.00 0.00 H new ATOM 313 N ILE A 20 2.282 3.758 7.009 1.00 0.00 N ATOM 314 CA ILE A 20 1.220 2.775 6.831 1.00 0.00 C ATOM 315 C ILE A 20 1.147 1.840 8.025 1.00 0.00 C ATOM 316 O ILE A 20 2.114 1.701 8.773 1.00 0.00 O ATOM 317 CB ILE A 20 1.410 1.934 5.547 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.805 1.304 5.515 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.174 2.783 4.305 1.00 0.00 C ATOM 320 CD1 ILE A 20 3.045 0.423 4.307 1.00 0.00 C ATOM 0 H ILE A 20 3.146 3.383 7.400 1.00 0.00 H new ATOM 0 HA ILE A 20 0.290 3.337 6.740 1.00 0.00 H new ATOM 0 HB ILE A 20 0.673 1.131 5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.553 2.097 5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.948 0.713 6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.313 2.171 3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.157 3.176 4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.883 3.611 4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.053 0.011 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.320 -0.391 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.934 1.014 3.398 1.00 0.00 H new ATOM 332 N GLY A 21 -0.008 1.216 8.206 1.00 0.00 N ATOM 333 CA GLY A 21 -0.172 0.257 9.276 1.00 0.00 C ATOM 334 C GLY A 21 0.021 -1.168 8.800 1.00 0.00 C ATOM 335 O GLY A 21 0.185 -2.083 9.605 1.00 0.00 O ATOM 0 H GLY A 21 -0.836 1.358 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.544 0.474 10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.167 0.363 9.707 1.00 0.00 H new ATOM 339 N VAL A 22 -0.002 -1.359 7.490 1.00 0.00 N ATOM 340 CA VAL A 22 0.203 -2.677 6.914 1.00 0.00 C ATOM 341 C VAL A 22 1.692 -2.996 6.817 1.00 0.00 C ATOM 342 O VAL A 22 2.508 -2.119 6.538 1.00 0.00 O ATOM 343 CB VAL A 22 -0.452 -2.810 5.521 1.00 0.00 C ATOM 344 CG1 VAL A 22 -1.965 -2.769 5.637 1.00 0.00 C ATOM 345 CG2 VAL A 22 0.034 -1.716 4.579 1.00 0.00 C ATOM 0 H VAL A 22 -0.160 -0.618 6.807 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.278 -3.394 7.580 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.158 -3.773 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.409 -2.864 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.304 -3.592 6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.270 -1.822 6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.444 -1.835 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.222 -0.740 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.115 -1.789 4.464 1.00 0.00 H new ATOM 355 N LYS A 23 2.040 -4.251 7.063 1.00 0.00 N ATOM 356 CA LYS A 23 3.436 -4.673 7.052 1.00 0.00 C ATOM 357 C LYS A 23 3.791 -5.289 5.699 1.00 0.00 C ATOM 358 O LYS A 23 4.949 -5.615 5.423 1.00 0.00 O ATOM 359 CB LYS A 23 3.680 -5.657 8.200 1.00 0.00 C ATOM 360 CG LYS A 23 5.141 -5.797 8.597 1.00 0.00 C ATOM 361 CD LYS A 23 5.282 -6.303 10.026 1.00 0.00 C ATOM 362 CE LYS A 23 4.603 -5.363 11.014 1.00 0.00 C ATOM 363 NZ LYS A 23 4.827 -5.771 12.428 1.00 0.00 N ATOM 0 H LYS A 23 1.376 -4.996 7.273 1.00 0.00 H new ATOM 0 HA LYS A 23 4.083 -3.808 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.108 -5.334 9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.297 -6.636 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.641 -6.485 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.640 -4.833 8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.844 -7.298 10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.338 -6.398 10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.980 -4.351 10.866 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.532 -5.338 10.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.346 -5.102 13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.445 -6.726 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.847 -5.770 12.632 1.00 0.00 H new ATOM 377 N GLU A 24 2.770 -5.446 4.867 1.00 0.00 N ATOM 378 CA GLU A 24 2.934 -5.873 3.485 1.00 0.00 C ATOM 379 C GLU A 24 2.087 -4.981 2.595 1.00 0.00 C ATOM 380 O GLU A 24 0.901 -4.784 2.867 1.00 0.00 O ATOM 381 CB GLU A 24 2.506 -7.332 3.294 1.00 0.00 C ATOM 382 CG GLU A 24 3.384 -8.344 4.009 1.00 0.00 C ATOM 383 CD GLU A 24 2.978 -9.769 3.699 1.00 0.00 C ATOM 384 OE1 GLU A 24 3.499 -10.338 2.716 1.00 0.00 O ATOM 385 OE2 GLU A 24 2.126 -10.325 4.429 1.00 0.00 O ATOM 0 H GLU A 24 1.800 -5.280 5.134 1.00 0.00 H new ATOM 0 HA GLU A 24 3.988 -5.794 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.481 -7.446 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.504 -7.560 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.423 -8.192 3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.327 -8.177 5.085 1.00 0.00 H new ATOM 392 N PHE A 25 2.679 -4.438 1.546 1.00 0.00 N ATOM 393 CA PHE A 25 1.956 -3.542 0.662 1.00 0.00 C ATOM 394 C PHE A 25 2.464 -3.658 -0.768 1.00 0.00 C ATOM 395 O PHE A 25 3.626 -3.970 -1.008 1.00 0.00 O ATOM 396 CB PHE A 25 2.077 -2.093 1.152 1.00 0.00 C ATOM 397 CG PHE A 25 1.325 -1.108 0.301 1.00 0.00 C ATOM 398 CD1 PHE A 25 -0.058 -1.067 0.328 1.00 0.00 C ATOM 399 CD2 PHE A 25 2.002 -0.231 -0.532 1.00 0.00 C ATOM 400 CE1 PHE A 25 -0.753 -0.170 -0.460 1.00 0.00 C ATOM 401 CE2 PHE A 25 1.312 0.669 -1.321 1.00 0.00 C ATOM 402 CZ PHE A 25 -0.067 0.699 -1.285 1.00 0.00 C ATOM 0 H PHE A 25 3.652 -4.600 1.287 1.00 0.00 H new ATOM 0 HA PHE A 25 0.905 -3.831 0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.709 -2.032 2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.130 -1.812 1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.600 -1.744 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.081 -0.251 -0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.832 -0.149 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.851 1.348 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.609 1.401 -1.901 1.00 0.00 H new ATOM 412 N MET A 26 1.577 -3.419 -1.711 1.00 0.00 N ATOM 413 CA MET A 26 1.929 -3.413 -3.115 1.00 0.00 C ATOM 414 C MET A 26 1.064 -2.384 -3.819 1.00 0.00 C ATOM 415 O MET A 26 -0.108 -2.230 -3.474 1.00 0.00 O ATOM 416 CB MET A 26 1.725 -4.807 -3.717 1.00 0.00 C ATOM 417 CG MET A 26 2.250 -4.951 -5.135 1.00 0.00 C ATOM 418 SD MET A 26 2.235 -6.664 -5.706 1.00 0.00 S ATOM 419 CE MET A 26 3.002 -6.485 -7.315 1.00 0.00 C ATOM 0 H MET A 26 0.593 -3.224 -1.526 1.00 0.00 H new ATOM 0 HA MET A 26 2.980 -3.151 -3.241 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.219 -5.542 -3.081 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.661 -5.043 -3.709 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.645 -4.342 -5.807 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.268 -4.564 -5.183 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.372 -7.454 -7.652 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.268 -6.109 -8.028 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.833 -5.783 -7.246 1.00 0.00 H new ATOM 429 N CYS A 27 1.646 -1.646 -4.756 1.00 0.00 N ATOM 430 CA CYS A 27 0.893 -0.658 -5.521 1.00 0.00 C ATOM 431 C CYS A 27 -0.303 -1.334 -6.184 1.00 0.00 C ATOM 432 O CYS A 27 -0.127 -2.257 -6.968 1.00 0.00 O ATOM 433 CB CYS A 27 1.792 -0.010 -6.578 1.00 0.00 C ATOM 434 SG CYS A 27 3.273 0.798 -5.916 1.00 0.00 S ATOM 0 H CYS A 27 2.633 -1.712 -5.004 1.00 0.00 H new ATOM 0 HA CYS A 27 0.536 0.122 -4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.099 -0.774 -7.292 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.208 0.727 -7.130 1.00 0.00 H new ATOM 439 N VAL A 28 -1.508 -0.880 -5.848 1.00 0.00 N ATOM 440 CA VAL A 28 -2.739 -1.542 -6.281 1.00 0.00 C ATOM 441 C VAL A 28 -2.805 -1.704 -7.797 1.00 0.00 C ATOM 442 O VAL A 28 -2.989 -2.812 -8.300 1.00 0.00 O ATOM 443 CB VAL A 28 -3.986 -0.778 -5.787 1.00 0.00 C ATOM 444 CG1 VAL A 28 -5.264 -1.473 -6.235 1.00 0.00 C ATOM 445 CG2 VAL A 28 -3.953 -0.644 -4.273 1.00 0.00 C ATOM 0 H VAL A 28 -1.660 -0.051 -5.273 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.727 -2.536 -5.835 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.974 0.219 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.128 -0.915 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.291 -1.519 -7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.290 -2.484 -5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.838 -0.103 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.939 -1.635 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.058 -0.097 -3.976 1.00 0.00 H new ATOM 455 N GLY A 29 -2.659 -0.607 -8.522 1.00 0.00 N ATOM 456 CA GLY A 29 -2.678 -0.687 -9.964 1.00 0.00 C ATOM 457 C GLY A 29 -2.891 0.658 -10.619 1.00 0.00 C ATOM 458 O GLY A 29 -3.637 1.494 -10.112 1.00 0.00 O ATOM 0 H GLY A 29 -2.529 0.330 -8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.737 -1.112 -10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.470 -1.368 -10.276 1.00 0.00 H new ATOM 462 N ALA A 30 -2.221 0.863 -11.742 1.00 0.00 N ATOM 463 CA ALA A 30 -2.361 2.083 -12.520 1.00 0.00 C ATOM 464 C ALA A 30 -1.951 1.827 -13.965 1.00 0.00 C ATOM 465 O ALA A 30 -2.799 1.722 -14.851 1.00 0.00 O ATOM 466 CB ALA A 30 -1.525 3.207 -11.917 1.00 0.00 C ATOM 0 H ALA A 30 -1.566 0.189 -12.139 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.406 2.392 -12.500 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.645 4.110 -12.515 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.857 3.400 -10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.475 2.915 -11.907 1.00 0.00 H new ATOM 472 N THR A 31 -0.649 1.694 -14.186 1.00 0.00 N ATOM 473 CA THR A 31 -0.116 1.466 -15.523 1.00 0.00 C ATOM 474 C THR A 31 0.733 0.193 -15.564 1.00 0.00 C ATOM 475 O THR A 31 0.778 -0.503 -16.578 1.00 0.00 O ATOM 476 CB THR A 31 0.739 2.666 -15.972 1.00 0.00 C ATOM 477 OG1 THR A 31 0.088 3.885 -15.594 1.00 0.00 O ATOM 478 CG2 THR A 31 0.961 2.650 -17.479 1.00 0.00 C ATOM 0 H THR A 31 0.059 1.740 -13.454 1.00 0.00 H new ATOM 0 HA THR A 31 -0.960 1.348 -16.203 1.00 0.00 H new ATOM 0 HB THR A 31 1.711 2.597 -15.484 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.633 4.648 -15.878 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.568 3.509 -17.767 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.475 1.731 -17.761 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.001 2.698 -17.989 1.00 0.00 H new ATOM 486 N GLN A 32 1.378 -0.110 -14.435 1.00 0.00 N ATOM 487 CA GLN A 32 2.266 -1.271 -14.314 1.00 0.00 C ATOM 488 C GLN A 32 3.445 -1.180 -15.285 1.00 0.00 C ATOM 489 O GLN A 32 3.445 -1.811 -16.337 1.00 0.00 O ATOM 490 CB GLN A 32 1.511 -2.595 -14.522 1.00 0.00 C ATOM 491 CG GLN A 32 0.651 -3.016 -13.338 1.00 0.00 C ATOM 492 CD GLN A 32 -0.550 -2.116 -13.120 1.00 0.00 C ATOM 493 OE1 GLN A 32 -0.461 -1.100 -12.426 1.00 0.00 O ATOM 494 NE2 GLN A 32 -1.686 -2.497 -13.681 1.00 0.00 N ATOM 0 H GLN A 32 1.300 0.441 -13.580 1.00 0.00 H new ATOM 0 HA GLN A 32 2.655 -1.259 -13.296 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.876 -2.504 -15.403 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.234 -3.384 -14.730 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.307 -4.039 -13.493 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.263 -3.019 -12.436 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.716 -3.344 -14.248 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.532 -1.943 -13.547 1.00 0.00 H new ATOM 503 N PRO A 33 4.464 -0.371 -14.943 1.00 0.00 N ATOM 504 CA PRO A 33 5.660 -0.217 -15.772 1.00 0.00 C ATOM 505 C PRO A 33 6.696 -1.313 -15.515 1.00 0.00 C ATOM 506 O PRO A 33 7.742 -1.359 -16.166 1.00 0.00 O ATOM 507 CB PRO A 33 6.195 1.145 -15.337 1.00 0.00 C ATOM 508 CG PRO A 33 5.796 1.269 -13.903 1.00 0.00 C ATOM 509 CD PRO A 33 4.521 0.478 -13.737 1.00 0.00 C ATOM 0 HA PRO A 33 5.440 -0.291 -16.837 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.277 1.201 -15.453 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.768 1.948 -15.938 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.578 0.884 -13.249 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.641 2.314 -13.633 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.540 -0.122 -12.827 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.652 1.132 -13.669 1.00 0.00 H new ATOM 517 N PHE A 34 6.395 -2.190 -14.566 1.00 0.00 N ATOM 518 CA PHE A 34 7.293 -3.278 -14.203 1.00 0.00 C ATOM 519 C PHE A 34 6.510 -4.577 -14.093 1.00 0.00 C ATOM 520 O PHE A 34 5.357 -4.649 -14.521 1.00 0.00 O ATOM 521 CB PHE A 34 8.012 -2.975 -12.880 1.00 0.00 C ATOM 522 CG PHE A 34 8.915 -1.774 -12.949 1.00 0.00 C ATOM 523 CD1 PHE A 34 10.148 -1.853 -13.578 1.00 0.00 C ATOM 524 CD2 PHE A 34 8.529 -0.570 -12.387 1.00 0.00 C ATOM 525 CE1 PHE A 34 10.977 -0.750 -13.645 1.00 0.00 C ATOM 526 CE2 PHE A 34 9.352 0.536 -12.451 1.00 0.00 C ATOM 527 CZ PHE A 34 10.578 0.446 -13.081 1.00 0.00 C ATOM 0 H PHE A 34 5.528 -2.168 -14.030 1.00 0.00 H new ATOM 0 HA PHE A 34 8.048 -3.380 -14.982 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.268 -2.816 -12.100 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.600 -3.845 -12.587 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.464 -2.786 -14.020 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.572 -0.495 -11.892 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.935 -0.823 -14.138 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.038 1.470 -12.009 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.224 1.310 -13.133 1.00 0.00 H new ATOM 537 N ASP A 35 7.138 -5.595 -13.524 1.00 0.00 N ATOM 538 CA ASP A 35 6.504 -6.895 -13.356 1.00 0.00 C ATOM 539 C ASP A 35 5.380 -6.810 -12.333 1.00 0.00 C ATOM 540 O ASP A 35 5.630 -6.582 -11.150 1.00 0.00 O ATOM 541 CB ASP A 35 7.534 -7.940 -12.919 1.00 0.00 C ATOM 542 CG ASP A 35 6.923 -9.311 -12.709 1.00 0.00 C ATOM 543 OD1 ASP A 35 6.555 -9.963 -13.710 1.00 0.00 O ATOM 544 OD2 ASP A 35 6.807 -9.747 -11.546 1.00 0.00 O ATOM 0 H ASP A 35 8.093 -5.545 -13.168 1.00 0.00 H new ATOM 0 HA ASP A 35 6.083 -7.198 -14.315 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.319 -8.008 -13.672 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.008 -7.612 -11.994 1.00 0.00 H new ATOM 549 N HIS A 36 4.144 -6.982 -12.810 1.00 0.00 N ATOM 550 CA HIS A 36 2.951 -6.909 -11.963 1.00 0.00 C ATOM 551 C HIS A 36 2.713 -5.467 -11.484 1.00 0.00 C ATOM 552 O HIS A 36 3.456 -4.567 -11.875 1.00 0.00 O ATOM 553 CB HIS A 36 3.069 -7.899 -10.791 1.00 0.00 C ATOM 554 CG HIS A 36 2.975 -9.331 -11.221 1.00 0.00 C ATOM 555 ND1 HIS A 36 3.823 -10.316 -10.767 1.00 0.00 N ATOM 556 CD2 HIS A 36 2.118 -9.939 -12.074 1.00 0.00 C ATOM 557 CE1 HIS A 36 3.493 -11.466 -11.323 1.00 0.00 C ATOM 558 NE2 HIS A 36 2.461 -11.265 -12.119 1.00 0.00 N ATOM 0 H HIS A 36 3.943 -7.175 -13.791 1.00 0.00 H new ATOM 0 HA HIS A 36 2.079 -7.198 -12.549 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.020 -7.740 -10.283 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.282 -7.691 -10.066 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.313 -9.467 -12.618 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.985 -12.413 -11.155 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.994 -11.980 -12.677 1.00 0.00 H new ATOM 567 N PRO A 37 1.630 -5.208 -10.705 1.00 0.00 N ATOM 568 CA PRO A 37 1.335 -3.872 -10.149 1.00 0.00 C ATOM 569 C PRO A 37 2.554 -3.176 -9.524 1.00 0.00 C ATOM 570 O PRO A 37 2.854 -3.353 -8.343 1.00 0.00 O ATOM 571 CB PRO A 37 0.275 -4.173 -9.094 1.00 0.00 C ATOM 572 CG PRO A 37 -0.456 -5.350 -9.632 1.00 0.00 C ATOM 573 CD PRO A 37 0.572 -6.181 -10.346 1.00 0.00 C ATOM 0 HA PRO A 37 1.015 -3.175 -10.924 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.728 -4.394 -8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.392 -3.324 -8.947 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.928 -5.917 -8.830 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.249 -5.040 -10.312 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.959 -6.974 -9.706 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.154 -6.661 -11.231 1.00 0.00 H new ATOM 581 N HIS A 38 3.229 -2.371 -10.346 1.00 0.00 N ATOM 582 CA HIS A 38 4.487 -1.705 -9.991 1.00 0.00 C ATOM 583 C HIS A 38 5.490 -2.675 -9.360 1.00 0.00 C ATOM 584 O HIS A 38 6.218 -3.360 -10.067 1.00 0.00 O ATOM 585 CB HIS A 38 4.276 -0.476 -9.084 1.00 0.00 C ATOM 586 CG HIS A 38 5.559 0.264 -8.803 1.00 0.00 C ATOM 587 ND1 HIS A 38 5.835 0.932 -7.610 1.00 0.00 N ATOM 588 CD2 HIS A 38 6.675 0.385 -9.564 1.00 0.00 C ATOM 589 CE1 HIS A 38 7.070 1.414 -7.678 1.00 0.00 C ATOM 590 NE2 HIS A 38 7.589 1.098 -8.842 1.00 0.00 N ATOM 0 H HIS A 38 2.913 -2.159 -11.293 1.00 0.00 H new ATOM 0 HA HIS A 38 4.907 -1.345 -10.930 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.566 0.202 -9.557 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.832 -0.796 -8.142 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.815 -0.010 -10.559 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.568 1.976 -6.901 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.527 1.346 -9.157 1.00 0.00 H new ATOM 598 N ILE A 39 5.546 -2.702 -8.034 1.00 0.00 N ATOM 599 CA ILE A 39 6.488 -3.554 -7.332 1.00 0.00 C ATOM 600 C ILE A 39 5.890 -4.003 -5.998 1.00 0.00 C ATOM 601 O ILE A 39 5.028 -3.319 -5.437 1.00 0.00 O ATOM 602 CB ILE A 39 7.841 -2.828 -7.108 1.00 0.00 C ATOM 603 CG1 ILE A 39 8.956 -3.837 -6.824 1.00 0.00 C ATOM 604 CG2 ILE A 39 7.742 -1.813 -5.976 1.00 0.00 C ATOM 605 CD1 ILE A 39 9.211 -4.799 -7.964 1.00 0.00 C ATOM 0 H ILE A 39 4.948 -2.142 -7.426 1.00 0.00 H new ATOM 0 HA ILE A 39 6.682 -4.433 -7.947 1.00 0.00 H new ATOM 0 HB ILE A 39 8.084 -2.290 -8.024 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.876 -3.296 -6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.700 -4.406 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.705 -1.321 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.985 -1.068 -6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.465 -2.323 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.014 -5.483 -7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.304 -5.368 -8.170 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.499 -4.240 -8.854 1.00 0.00 H new ATOM 617 N PHE A 40 6.338 -5.148 -5.503 1.00 0.00 N ATOM 618 CA PHE A 40 5.870 -5.667 -4.224 1.00 0.00 C ATOM 619 C PHE A 40 6.764 -5.174 -3.087 1.00 0.00 C ATOM 620 O PHE A 40 7.988 -5.119 -3.225 1.00 0.00 O ATOM 621 CB PHE A 40 5.827 -7.202 -4.249 1.00 0.00 C ATOM 622 CG PHE A 40 7.136 -7.856 -4.608 1.00 0.00 C ATOM 623 CD1 PHE A 40 7.495 -8.038 -5.934 1.00 0.00 C ATOM 624 CD2 PHE A 40 8.003 -8.293 -3.619 1.00 0.00 C ATOM 625 CE1 PHE A 40 8.693 -8.642 -6.266 1.00 0.00 C ATOM 626 CE2 PHE A 40 9.202 -8.898 -3.944 1.00 0.00 C ATOM 627 CZ PHE A 40 9.548 -9.072 -5.270 1.00 0.00 C ATOM 0 H PHE A 40 7.028 -5.738 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 40 4.859 -5.298 -4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.513 -7.560 -3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.068 -7.520 -4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.831 -7.704 -6.717 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.738 -8.159 -2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.960 -8.778 -7.304 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.867 -9.234 -3.163 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.485 -9.543 -5.527 1.00 0.00 H new ATOM 637 N ILE A 41 6.147 -4.801 -1.973 1.00 0.00 N ATOM 638 CA ILE A 41 6.876 -4.271 -0.831 1.00 0.00 C ATOM 639 C ILE A 41 6.507 -5.026 0.445 1.00 0.00 C ATOM 640 O ILE A 41 5.329 -5.197 0.761 1.00 0.00 O ATOM 641 CB ILE A 41 6.565 -2.771 -0.633 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.754 -2.013 -1.950 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.456 -2.178 0.452 1.00 0.00 C ATOM 644 CD1 ILE A 41 6.216 -0.601 -1.927 1.00 0.00 C ATOM 0 H ILE A 41 5.138 -4.857 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 41 7.940 -4.398 -1.032 1.00 0.00 H new ATOM 0 HB ILE A 41 5.526 -2.672 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.817 -1.982 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.262 -2.566 -2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.222 -1.121 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.282 -2.702 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.502 -2.287 0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.387 -0.130 -2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.146 -0.623 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.726 -0.030 -1.151 1.00 0.00 H new ATOM 656 N ASP A 42 7.511 -5.494 1.166 1.00 0.00 N ATOM 657 CA ASP A 42 7.282 -6.146 2.449 1.00 0.00 C ATOM 658 C ASP A 42 8.273 -5.623 3.476 1.00 0.00 C ATOM 659 O ASP A 42 9.446 -5.422 3.169 1.00 0.00 O ATOM 660 CB ASP A 42 7.400 -7.672 2.325 1.00 0.00 C ATOM 661 CG ASP A 42 8.809 -8.145 2.019 1.00 0.00 C ATOM 662 OD1 ASP A 42 9.249 -8.004 0.858 1.00 0.00 O ATOM 663 OD2 ASP A 42 9.475 -8.677 2.935 1.00 0.00 O ATOM 0 H ASP A 42 8.491 -5.436 0.888 1.00 0.00 H new ATOM 0 HA ASP A 42 6.268 -5.915 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.064 -8.132 3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.730 -8.018 1.538 1.00 0.00 H new ATOM 668 N MET A 43 7.797 -5.366 4.681 1.00 0.00 N ATOM 669 CA MET A 43 8.662 -4.890 5.752 1.00 0.00 C ATOM 670 C MET A 43 9.488 -6.032 6.321 1.00 0.00 C ATOM 671 O MET A 43 10.716 -6.038 6.222 1.00 0.00 O ATOM 672 CB MET A 43 7.840 -4.233 6.863 1.00 0.00 C ATOM 673 CG MET A 43 7.495 -2.776 6.596 1.00 0.00 C ATOM 674 SD MET A 43 6.529 -2.536 5.093 1.00 0.00 S ATOM 675 CE MET A 43 6.391 -0.752 5.079 1.00 0.00 C ATOM 0 H MET A 43 6.818 -5.478 4.945 1.00 0.00 H new ATOM 0 HA MET A 43 9.337 -4.144 5.332 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.916 -4.796 6.999 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.394 -4.299 7.799 1.00 0.00 H new ATOM 0 HG2 MET A 43 6.938 -2.380 7.445 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.417 -2.199 6.523 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.182 -0.411 4.065 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.580 -0.445 5.739 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.327 -0.312 5.424 1.00 0.00 H new ATOM 685 N GLY A 44 8.804 -7.006 6.903 1.00 0.00 N ATOM 686 CA GLY A 44 9.480 -8.144 7.489 1.00 0.00 C ATOM 687 C GLY A 44 10.136 -7.804 8.811 1.00 0.00 C ATOM 688 O GLY A 44 9.595 -8.101 9.877 1.00 0.00 O ATOM 0 H GLY A 44 7.787 -7.028 6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.764 -8.952 7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.236 -8.512 6.795 1.00 0.00 H new ATOM 692 N SER A 45 11.295 -7.168 8.743 1.00 0.00 N ATOM 693 CA SER A 45 12.030 -6.793 9.937 1.00 0.00 C ATOM 694 C SER A 45 12.155 -5.273 10.028 1.00 0.00 C ATOM 695 O SER A 45 12.005 -4.692 11.106 1.00 0.00 O ATOM 696 CB SER A 45 13.419 -7.443 9.932 1.00 0.00 C ATOM 697 OG SER A 45 14.118 -7.183 11.139 1.00 0.00 O ATOM 0 H SER A 45 11.747 -6.900 7.869 1.00 0.00 H new ATOM 0 HA SER A 45 11.482 -7.149 10.810 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.318 -8.519 9.793 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.996 -7.066 9.088 1.00 0.00 H new ATOM 0 HG SER A 45 14.999 -7.612 11.106 1.00 0.00 H new ATOM 703 N THR A 46 12.415 -4.630 8.896 1.00 0.00 N ATOM 704 CA THR A 46 12.569 -3.189 8.861 1.00 0.00 C ATOM 705 C THR A 46 11.214 -2.504 8.711 1.00 0.00 C ATOM 706 O THR A 46 10.456 -2.798 7.789 1.00 0.00 O ATOM 707 CB THR A 46 13.513 -2.768 7.722 1.00 0.00 C ATOM 708 OG1 THR A 46 13.171 -3.461 6.515 1.00 0.00 O ATOM 709 CG2 THR A 46 14.960 -3.066 8.089 1.00 0.00 C ATOM 0 H THR A 46 12.523 -5.088 7.991 1.00 0.00 H new ATOM 0 HA THR A 46 13.011 -2.874 9.806 1.00 0.00 H new ATOM 0 HB THR A 46 13.402 -1.695 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.196 -3.513 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.613 -2.761 7.271 1.00 0.00 H new ATOM 0 HG22 THR A 46 15.227 -2.516 8.991 1.00 0.00 H new ATOM 0 HG23 THR A 46 15.077 -4.135 8.268 1.00 0.00 H new ATOM 717 N ASP A 47 10.914 -1.598 9.633 1.00 0.00 N ATOM 718 CA ASP A 47 9.601 -0.963 9.686 1.00 0.00 C ATOM 719 C ASP A 47 9.479 0.174 8.679 1.00 0.00 C ATOM 720 O ASP A 47 8.372 0.594 8.341 1.00 0.00 O ATOM 721 CB ASP A 47 9.307 -0.433 11.094 1.00 0.00 C ATOM 722 CG ASP A 47 9.133 -1.542 12.112 1.00 0.00 C ATOM 723 OD1 ASP A 47 8.026 -2.111 12.198 1.00 0.00 O ATOM 724 OD2 ASP A 47 10.104 -1.849 12.839 1.00 0.00 O ATOM 0 H ASP A 47 11.562 -1.285 10.356 1.00 0.00 H new ATOM 0 HA ASP A 47 8.869 -1.729 9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.121 0.220 11.409 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.403 0.175 11.067 1.00 0.00 H new ATOM 729 N GLU A 48 10.607 0.677 8.207 1.00 0.00 N ATOM 730 CA GLU A 48 10.593 1.774 7.255 1.00 0.00 C ATOM 731 C GLU A 48 11.377 1.439 5.988 1.00 0.00 C ATOM 732 O GLU A 48 12.563 1.112 6.028 1.00 0.00 O ATOM 733 CB GLU A 48 11.101 3.075 7.900 1.00 0.00 C ATOM 734 CG GLU A 48 11.988 2.880 9.126 1.00 0.00 C ATOM 735 CD GLU A 48 13.322 2.243 8.803 1.00 0.00 C ATOM 736 OE1 GLU A 48 14.274 2.987 8.473 1.00 0.00 O ATOM 737 OE2 GLU A 48 13.424 1.001 8.883 1.00 0.00 O ATOM 0 H GLU A 48 11.537 0.347 8.465 1.00 0.00 H new ATOM 0 HA GLU A 48 9.556 1.931 6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.658 3.641 7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.242 3.682 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.160 3.847 9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.462 2.259 9.851 1.00 0.00 H new ATOM 744 N LYS A 49 10.682 1.515 4.865 1.00 0.00 N ATOM 745 CA LYS A 49 11.278 1.295 3.554 1.00 0.00 C ATOM 746 C LYS A 49 10.824 2.386 2.595 1.00 0.00 C ATOM 747 O LYS A 49 10.217 3.368 3.007 1.00 0.00 O ATOM 748 CB LYS A 49 10.884 -0.074 2.989 1.00 0.00 C ATOM 749 CG LYS A 49 11.687 -1.240 3.543 1.00 0.00 C ATOM 750 CD LYS A 49 11.321 -2.536 2.839 1.00 0.00 C ATOM 751 CE LYS A 49 12.274 -3.661 3.211 1.00 0.00 C ATOM 752 NZ LYS A 49 11.953 -4.920 2.491 1.00 0.00 N ATOM 0 H LYS A 49 9.686 1.732 4.835 1.00 0.00 H new ATOM 0 HA LYS A 49 12.362 1.324 3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.828 -0.247 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.999 -0.052 1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.752 -1.044 3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.502 -1.338 4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.302 -2.819 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.341 -2.383 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.296 -3.362 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.228 -3.836 4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.347 -5.729 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.921 -5.025 2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.366 -4.889 1.537 1.00 0.00 H new ATOM 766 N ILE A 50 11.126 2.219 1.322 1.00 0.00 N ATOM 767 CA ILE A 50 10.654 3.142 0.303 1.00 0.00 C ATOM 768 C ILE A 50 10.194 2.358 -0.923 1.00 0.00 C ATOM 769 O ILE A 50 10.622 1.224 -1.128 1.00 0.00 O ATOM 770 CB ILE A 50 11.751 4.167 -0.085 1.00 0.00 C ATOM 771 CG1 ILE A 50 11.176 5.257 -0.999 1.00 0.00 C ATOM 772 CG2 ILE A 50 12.935 3.471 -0.746 1.00 0.00 C ATOM 773 CD1 ILE A 50 12.168 6.345 -1.352 1.00 0.00 C ATOM 0 H ILE A 50 11.697 1.452 0.966 1.00 0.00 H new ATOM 0 HA ILE A 50 9.813 3.704 0.709 1.00 0.00 H new ATOM 0 HB ILE A 50 12.109 4.644 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.816 4.795 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.313 5.710 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.691 4.211 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.363 2.745 -0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.599 2.959 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.688 7.078 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.510 6.835 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.021 5.906 -1.870 1.00 0.00 H new ATOM 785 N CYS A 51 9.308 2.945 -1.715 1.00 0.00 N ATOM 786 CA CYS A 51 8.855 2.314 -2.945 1.00 0.00 C ATOM 787 C CYS A 51 9.708 2.810 -4.106 1.00 0.00 C ATOM 788 O CYS A 51 9.576 3.959 -4.535 1.00 0.00 O ATOM 789 CB CYS A 51 7.375 2.637 -3.197 1.00 0.00 C ATOM 790 SG CYS A 51 6.637 1.762 -4.604 1.00 0.00 S ATOM 0 H CYS A 51 8.889 3.856 -1.528 1.00 0.00 H new ATOM 0 HA CYS A 51 8.958 1.233 -2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.807 2.397 -2.299 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.274 3.710 -3.360 1.00 0.00 H new ATOM 795 N PRO A 52 10.619 1.959 -4.609 1.00 0.00 N ATOM 796 CA PRO A 52 11.521 2.324 -5.703 1.00 0.00 C ATOM 797 C PRO A 52 10.752 2.652 -6.971 1.00 0.00 C ATOM 798 O PRO A 52 9.841 1.916 -7.351 1.00 0.00 O ATOM 799 CB PRO A 52 12.387 1.073 -5.902 1.00 0.00 C ATOM 800 CG PRO A 52 11.615 -0.041 -5.279 1.00 0.00 C ATOM 801 CD PRO A 52 10.829 0.573 -4.158 1.00 0.00 C ATOM 0 HA PRO A 52 12.107 3.215 -5.475 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.567 0.883 -6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.362 1.190 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.954 -0.511 -6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.283 -0.818 -4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 52 9.884 0.054 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.376 0.535 -3.216 1.00 0.00 H new ATOM 809 N TYR A 53 11.122 3.757 -7.616 1.00 0.00 N ATOM 810 CA TYR A 53 10.430 4.250 -8.809 1.00 0.00 C ATOM 811 C TYR A 53 9.045 4.782 -8.444 1.00 0.00 C ATOM 812 O TYR A 53 8.116 4.732 -9.249 1.00 0.00 O ATOM 813 CB TYR A 53 10.310 3.160 -9.883 1.00 0.00 C ATOM 814 CG TYR A 53 11.635 2.573 -10.321 1.00 0.00 C ATOM 815 CD1 TYR A 53 12.459 3.253 -11.208 1.00 0.00 C ATOM 816 CD2 TYR A 53 12.059 1.335 -9.849 1.00 0.00 C ATOM 817 CE1 TYR A 53 13.666 2.718 -11.611 1.00 0.00 C ATOM 818 CE2 TYR A 53 13.266 0.796 -10.246 1.00 0.00 C ATOM 819 CZ TYR A 53 14.066 1.491 -11.127 1.00 0.00 C ATOM 820 OH TYR A 53 15.267 0.957 -11.528 1.00 0.00 O ATOM 0 H TYR A 53 11.910 4.337 -7.327 1.00 0.00 H new ATOM 0 HA TYR A 53 11.027 5.064 -9.221 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.678 2.358 -9.502 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.805 3.578 -10.754 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.151 4.216 -11.589 1.00 0.00 H new ATOM 0 HD2 TYR A 53 11.433 0.787 -9.160 1.00 0.00 H new ATOM 0 HE1 TYR A 53 14.295 3.259 -12.303 1.00 0.00 H new ATOM 0 HE2 TYR A 53 13.582 -0.165 -9.868 1.00 0.00 H new ATOM 0 HH TYR A 53 15.400 0.088 -11.094 1.00 0.00 H new ATOM 830 N CYS A 54 8.923 5.283 -7.219 1.00 0.00 N ATOM 831 CA CYS A 54 7.699 5.935 -6.759 1.00 0.00 C ATOM 832 C CYS A 54 8.028 7.039 -5.761 1.00 0.00 C ATOM 833 O CYS A 54 7.560 8.167 -5.908 1.00 0.00 O ATOM 834 CB CYS A 54 6.731 4.940 -6.105 1.00 0.00 C ATOM 835 SG CYS A 54 5.691 3.996 -7.258 1.00 0.00 S ATOM 0 H CYS A 54 9.665 5.250 -6.520 1.00 0.00 H new ATOM 0 HA CYS A 54 7.214 6.360 -7.638 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.309 4.238 -5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.082 5.486 -5.420 1.00 0.00 H new ATOM 840 N SER A 55 8.866 6.701 -4.772 1.00 0.00 N ATOM 841 CA SER A 55 9.166 7.593 -3.653 1.00 0.00 C ATOM 842 C SER A 55 7.916 7.783 -2.795 1.00 0.00 C ATOM 843 O SER A 55 7.044 8.587 -3.112 1.00 0.00 O ATOM 844 CB SER A 55 9.712 8.937 -4.147 1.00 0.00 C ATOM 845 OG SER A 55 10.849 8.751 -4.980 1.00 0.00 O ATOM 0 H SER A 55 9.351 5.805 -4.728 1.00 0.00 H new ATOM 0 HA SER A 55 9.943 7.137 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.936 9.468 -4.698 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.980 9.560 -3.294 1.00 0.00 H new ATOM 0 HG SER A 55 11.178 9.623 -5.284 1.00 0.00 H new ATOM 851 N THR A 56 7.838 7.022 -1.707 1.00 0.00 N ATOM 852 CA THR A 56 6.637 6.920 -0.910 1.00 0.00 C ATOM 853 C THR A 56 7.022 6.327 0.434 1.00 0.00 C ATOM 854 O THR A 56 6.290 5.507 0.975 1.00 0.00 O ATOM 855 CB THR A 56 5.597 5.989 -1.576 1.00 0.00 C ATOM 856 OG1 THR A 56 5.785 5.947 -2.999 1.00 0.00 O ATOM 857 CG2 THR A 56 4.184 6.455 -1.268 1.00 0.00 C ATOM 0 H THR A 56 8.614 6.459 -1.359 1.00 0.00 H new ATOM 0 HA THR A 56 6.194 7.910 -0.806 1.00 0.00 H new ATOM 0 HB THR A 56 5.741 4.988 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.088 6.479 -3.437 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.468 5.786 -1.746 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.025 6.446 -0.190 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.044 7.467 -1.647 1.00 0.00 H new ATOM 865 N LEU A 57 8.176 6.781 0.951 1.00 0.00 N ATOM 866 CA LEU A 57 8.860 6.174 2.105 1.00 0.00 C ATOM 867 C LEU A 57 7.868 5.607 3.112 1.00 0.00 C ATOM 868 O LEU A 57 7.286 6.340 3.907 1.00 0.00 O ATOM 869 CB LEU A 57 9.775 7.213 2.774 1.00 0.00 C ATOM 870 CG LEU A 57 10.901 6.663 3.666 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.922 7.754 3.951 1.00 0.00 C ATOM 872 CD2 LEU A 57 10.358 6.116 4.980 1.00 0.00 C ATOM 0 H LEU A 57 8.667 7.592 0.574 1.00 0.00 H new ATOM 0 HA LEU A 57 9.465 5.343 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.227 7.824 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.155 7.876 3.377 1.00 0.00 H new ATOM 0 HG LEU A 57 11.379 5.844 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.715 7.354 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.349 8.107 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.434 8.584 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.182 5.736 5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.847 6.912 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.656 5.308 4.775 1.00 0.00 H new ATOM 884 N TYR A 58 7.681 4.293 3.048 1.00 0.00 N ATOM 885 CA TYR A 58 6.705 3.607 3.870 1.00 0.00 C ATOM 886 C TYR A 58 7.267 3.323 5.245 1.00 0.00 C ATOM 887 O TYR A 58 8.116 2.448 5.415 1.00 0.00 O ATOM 888 CB TYR A 58 6.266 2.299 3.216 1.00 0.00 C ATOM 889 CG TYR A 58 5.499 2.489 1.932 1.00 0.00 C ATOM 890 CD1 TYR A 58 4.177 2.912 1.952 1.00 0.00 C ATOM 891 CD2 TYR A 58 6.093 2.246 0.704 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.469 3.086 0.781 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.391 2.420 -0.470 1.00 0.00 C ATOM 894 CZ TYR A 58 4.082 2.838 -0.428 1.00 0.00 C ATOM 895 OH TYR A 58 3.383 3.007 -1.596 1.00 0.00 O ATOM 0 H TYR A 58 8.204 3.679 2.424 1.00 0.00 H new ATOM 0 HA TYR A 58 5.838 4.260 3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.147 1.690 3.015 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.647 1.742 3.919 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.696 3.108 2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.121 1.916 0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.441 3.415 0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.868 2.228 -1.420 1.00 0.00 H new ATOM 0 HH TYR A 58 3.961 2.791 -2.357 1.00 0.00 H new ATOM 905 N ARG A 59 6.798 4.073 6.215 1.00 0.00 N ATOM 906 CA ARG A 59 7.213 3.881 7.585 1.00 0.00 C ATOM 907 C ARG A 59 6.047 3.371 8.414 1.00 0.00 C ATOM 908 O ARG A 59 5.036 4.055 8.572 1.00 0.00 O ATOM 909 CB ARG A 59 7.748 5.194 8.159 1.00 0.00 C ATOM 910 CG ARG A 59 8.132 5.113 9.627 1.00 0.00 C ATOM 911 CD ARG A 59 8.712 6.426 10.119 1.00 0.00 C ATOM 912 NE ARG A 59 7.838 7.559 9.819 1.00 0.00 N ATOM 913 CZ ARG A 59 7.835 8.704 10.501 1.00 0.00 C ATOM 914 NH1 ARG A 59 8.650 8.872 11.536 1.00 0.00 N ATOM 915 NH2 ARG A 59 7.022 9.682 10.133 1.00 0.00 N ATOM 0 H ARG A 59 6.124 4.827 6.079 1.00 0.00 H new ATOM 0 HA ARG A 59 8.011 3.139 7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.620 5.503 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.992 5.969 8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.255 4.855 10.221 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.860 4.315 9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.875 6.369 11.195 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.686 6.588 9.657 1.00 0.00 H new ATOM 0 HE ARG A 59 7.189 7.467 9.038 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.283 8.122 11.813 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.643 9.751 12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.403 9.557 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.015 10.561 10.651 1.00 0.00 H new ATOM 929 N TYR A 60 6.168 2.151 8.907 1.00 0.00 N ATOM 930 CA TYR A 60 5.184 1.618 9.827 1.00 0.00 C ATOM 931 C TYR A 60 5.396 2.230 11.200 1.00 0.00 C ATOM 932 O TYR A 60 6.393 1.951 11.869 1.00 0.00 O ATOM 933 CB TYR A 60 5.266 0.090 9.907 1.00 0.00 C ATOM 934 CG TYR A 60 4.381 -0.497 10.987 1.00 0.00 C ATOM 935 CD1 TYR A 60 2.997 -0.457 10.876 1.00 0.00 C ATOM 936 CD2 TYR A 60 4.930 -1.071 12.127 1.00 0.00 C ATOM 937 CE1 TYR A 60 2.186 -0.976 11.868 1.00 0.00 C ATOM 938 CE2 TYR A 60 4.125 -1.589 13.122 1.00 0.00 C ATOM 939 CZ TYR A 60 2.755 -1.538 12.989 1.00 0.00 C ATOM 940 OH TYR A 60 1.952 -2.047 13.984 1.00 0.00 O ATOM 0 H TYR A 60 6.934 1.515 8.686 1.00 0.00 H new ATOM 0 HA TYR A 60 4.190 1.876 9.461 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.983 -0.334 8.944 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.299 -0.203 10.093 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.547 -0.013 10.000 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.004 -1.113 12.237 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.112 -0.941 11.764 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.568 -2.033 14.001 1.00 0.00 H new ATOM 0 HH TYR A 60 2.511 -2.407 14.703 1.00 0.00 H new ATOM 950 N ASP A 61 4.482 3.093 11.599 1.00 0.00 N ATOM 951 CA ASP A 61 4.562 3.718 12.906 1.00 0.00 C ATOM 952 C ASP A 61 3.799 2.874 13.915 1.00 0.00 C ATOM 953 O ASP A 61 2.672 2.457 13.649 1.00 0.00 O ATOM 954 CB ASP A 61 3.997 5.138 12.868 1.00 0.00 C ATOM 955 CG ASP A 61 4.268 5.896 14.151 1.00 0.00 C ATOM 956 OD1 ASP A 61 3.497 5.738 15.121 1.00 0.00 O ATOM 957 OD2 ASP A 61 5.256 6.653 14.196 1.00 0.00 O ATOM 0 H ASP A 61 3.678 3.377 11.040 1.00 0.00 H new ATOM 0 HA ASP A 61 5.609 3.782 13.202 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.435 5.679 12.029 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.922 5.095 12.694 1.00 0.00 H new ATOM 962 N PRO A 62 4.401 2.601 15.079 1.00 0.00 N ATOM 963 CA PRO A 62 3.794 1.751 16.109 1.00 0.00 C ATOM 964 C PRO A 62 2.476 2.306 16.657 1.00 0.00 C ATOM 965 O PRO A 62 1.746 1.604 17.358 1.00 0.00 O ATOM 966 CB PRO A 62 4.855 1.706 17.215 1.00 0.00 C ATOM 967 CG PRO A 62 6.126 2.098 16.547 1.00 0.00 C ATOM 968 CD PRO A 62 5.734 3.077 15.481 1.00 0.00 C ATOM 0 HA PRO A 62 3.531 0.773 15.705 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.608 2.391 18.026 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.929 0.709 17.650 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.820 2.548 17.257 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.627 1.231 16.118 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.702 4.098 15.861 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.435 3.069 14.647 1.00 0.00 H new ATOM 976 N SER A 63 2.168 3.561 16.349 1.00 0.00 N ATOM 977 CA SER A 63 0.918 4.162 16.799 1.00 0.00 C ATOM 978 C SER A 63 -0.206 3.886 15.799 1.00 0.00 C ATOM 979 O SER A 63 -1.375 4.148 16.078 1.00 0.00 O ATOM 980 CB SER A 63 1.093 5.669 16.987 1.00 0.00 C ATOM 981 OG SER A 63 2.270 5.957 17.725 1.00 0.00 O ATOM 0 H SER A 63 2.761 4.178 15.794 1.00 0.00 H new ATOM 0 HA SER A 63 0.648 3.714 17.755 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.142 6.157 16.014 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.226 6.077 17.505 1.00 0.00 H new ATOM 0 HG SER A 63 3.040 5.976 17.119 1.00 0.00 H new ATOM 987 N LEU A 64 0.153 3.348 14.639 1.00 0.00 N ATOM 988 CA LEU A 64 -0.818 3.087 13.585 1.00 0.00 C ATOM 989 C LEU A 64 -1.285 1.638 13.624 1.00 0.00 C ATOM 990 O LEU A 64 -0.524 0.737 13.977 1.00 0.00 O ATOM 991 CB LEU A 64 -0.212 3.393 12.214 1.00 0.00 C ATOM 992 CG LEU A 64 0.255 4.836 12.009 1.00 0.00 C ATOM 993 CD1 LEU A 64 0.908 4.992 10.646 1.00 0.00 C ATOM 994 CD2 LEU A 64 -0.910 5.806 12.153 1.00 0.00 C ATOM 0 H LEU A 64 1.110 3.084 14.405 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.677 3.737 13.752 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.637 2.728 12.055 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.951 3.156 11.448 1.00 0.00 H new ATOM 0 HG LEU A 64 0.991 5.070 12.778 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.235 6.024 10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.769 4.327 10.577 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.189 4.737 9.867 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.555 6.826 12.003 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.671 5.574 11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.339 5.714 13.151 1.00 0.00 H new ATOM 1006 N SER A 65 -2.543 1.426 13.273 1.00 0.00 N ATOM 1007 CA SER A 65 -3.093 0.086 13.161 1.00 0.00 C ATOM 1008 C SER A 65 -3.003 -0.382 11.710 1.00 0.00 C ATOM 1009 O SER A 65 -2.760 0.429 10.816 1.00 0.00 O ATOM 1010 CB SER A 65 -4.548 0.082 13.630 1.00 0.00 C ATOM 1011 OG SER A 65 -4.670 0.684 14.909 1.00 0.00 O ATOM 0 H SER A 65 -3.206 2.171 13.059 1.00 0.00 H new ATOM 0 HA SER A 65 -2.521 -0.596 13.790 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.167 0.618 12.911 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.919 -0.942 13.669 1.00 0.00 H new ATOM 0 HG SER A 65 -5.609 0.672 15.188 1.00 0.00 H new ATOM 1017 N TYR A 66 -3.225 -1.672 11.470 1.00 0.00 N ATOM 1018 CA TYR A 66 -3.127 -2.235 10.119 1.00 0.00 C ATOM 1019 C TYR A 66 -4.186 -1.659 9.181 1.00 0.00 C ATOM 1020 O TYR A 66 -4.064 -1.751 7.963 1.00 0.00 O ATOM 1021 CB TYR A 66 -3.238 -3.762 10.159 1.00 0.00 C ATOM 1022 CG TYR A 66 -1.936 -4.455 10.493 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -1.453 -4.491 11.795 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -1.184 -5.065 9.497 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -0.259 -5.119 12.094 1.00 0.00 C ATOM 1026 CE2 TYR A 66 0.010 -5.693 9.789 1.00 0.00 C ATOM 1027 CZ TYR A 66 0.468 -5.718 11.088 1.00 0.00 C ATOM 1028 OH TYR A 66 1.659 -6.341 11.382 1.00 0.00 O ATOM 0 H TYR A 66 -3.474 -2.350 12.191 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.148 -1.957 9.728 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.990 -4.044 10.896 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.591 -4.118 9.191 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.019 -4.021 12.585 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.539 -5.048 8.477 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.103 -5.140 13.111 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.582 -6.163 9.003 1.00 0.00 H new ATOM 0 HH TYR A 66 2.037 -6.727 10.564 1.00 0.00 H new ATOM 1038 N ASN A 67 -5.219 -1.060 9.754 1.00 0.00 N ATOM 1039 CA ASN A 67 -6.286 -0.455 8.965 1.00 0.00 C ATOM 1040 C ASN A 67 -5.988 1.025 8.718 1.00 0.00 C ATOM 1041 O ASN A 67 -6.720 1.714 8.005 1.00 0.00 O ATOM 1042 CB ASN A 67 -7.626 -0.600 9.696 1.00 0.00 C ATOM 1043 CG ASN A 67 -8.819 -0.224 8.832 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -8.841 -0.486 7.628 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -9.809 0.414 9.435 1.00 0.00 N ATOM 0 H ASN A 67 -5.343 -0.979 10.763 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.345 -0.968 8.005 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.740 -1.630 10.034 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.617 0.028 10.587 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.627 0.707 8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.754 0.613 10.434 1.00 0.00 H new ATOM 1052 N GLN A 68 -4.896 1.505 9.300 1.00 0.00 N ATOM 1053 CA GLN A 68 -4.562 2.921 9.246 1.00 0.00 C ATOM 1054 C GLN A 68 -3.346 3.182 8.365 1.00 0.00 C ATOM 1055 O GLN A 68 -2.762 2.263 7.786 1.00 0.00 O ATOM 1056 CB GLN A 68 -4.320 3.460 10.658 1.00 0.00 C ATOM 1057 CG GLN A 68 -5.590 3.569 11.484 1.00 0.00 C ATOM 1058 CD GLN A 68 -6.526 4.646 10.967 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -6.087 5.674 10.448 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -7.821 4.407 11.086 1.00 0.00 N ATOM 0 H GLN A 68 -4.227 0.933 9.815 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.408 3.444 8.801 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.615 2.808 11.173 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.854 4.443 10.590 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.107 2.609 11.479 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.329 3.785 12.520 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.142 3.543 11.522 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.499 5.087 10.741 1.00 0.00 H new ATOM 1069 N THR A 69 -2.973 4.450 8.280 1.00 0.00 N ATOM 1070 CA THR A 69 -1.901 4.895 7.411 1.00 0.00 C ATOM 1071 C THR A 69 -1.540 6.344 7.773 1.00 0.00 C ATOM 1072 O THR A 69 -1.571 6.716 8.946 1.00 0.00 O ATOM 1073 CB THR A 69 -2.331 4.760 5.917 1.00 0.00 C ATOM 1074 OG1 THR A 69 -1.296 5.209 5.027 1.00 0.00 O ATOM 1075 CG2 THR A 69 -3.619 5.526 5.633 1.00 0.00 C ATOM 0 H THR A 69 -3.409 5.201 8.816 1.00 0.00 H new ATOM 0 HA THR A 69 -1.017 4.272 7.550 1.00 0.00 H new ATOM 0 HB THR A 69 -2.509 3.700 5.738 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.422 5.086 5.453 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.888 5.409 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.421 5.134 6.259 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.470 6.583 5.854 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.235 7.155 6.777 1.00 0.00 N ATOM 1084 CA ASN A 70 -0.944 8.565 6.989 1.00 0.00 C ATOM 1085 C ASN A 70 -2.208 9.348 6.625 1.00 0.00 C ATOM 1086 O ASN A 70 -3.196 8.697 6.286 1.00 0.00 O ATOM 1087 CB ASN A 70 0.268 8.985 6.129 1.00 0.00 C ATOM 1088 CG ASN A 70 -0.040 9.193 4.647 1.00 0.00 C ATOM 1089 OD1 ASN A 70 0.581 10.032 3.996 1.00 0.00 O ATOM 1090 ND2 ASN A 70 -0.982 8.439 4.093 1.00 0.00 N ATOM 0 H ASN A 70 -1.182 6.859 5.802 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.678 8.770 8.026 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.680 9.910 6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.043 8.224 6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.206 8.548 3.104 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.481 7.751 4.656 1.00 0.00 H new ATOM 1097 N PRO A 71 -2.219 10.713 6.708 1.00 0.00 N ATOM 1098 CA PRO A 71 -3.404 11.542 6.456 1.00 0.00 C ATOM 1099 C PRO A 71 -4.451 10.856 5.582 1.00 0.00 C ATOM 1100 O PRO A 71 -4.251 10.675 4.379 1.00 0.00 O ATOM 1101 CB PRO A 71 -2.795 12.751 5.755 1.00 0.00 C ATOM 1102 CG PRO A 71 -1.419 12.890 6.345 1.00 0.00 C ATOM 1103 CD PRO A 71 -1.081 11.582 7.037 1.00 0.00 C ATOM 0 HA PRO A 71 -3.955 11.776 7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.749 12.600 4.676 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.390 13.648 5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.689 13.111 5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.388 13.717 7.054 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.141 11.167 6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.975 11.714 8.114 1.00 0.00 H new ATOM 1111 N THR A 72 -5.554 10.461 6.218 1.00 0.00 N ATOM 1112 CA THR A 72 -6.515 9.546 5.620 1.00 0.00 C ATOM 1113 C THR A 72 -7.166 10.124 4.358 1.00 0.00 C ATOM 1114 O THR A 72 -8.134 10.887 4.403 1.00 0.00 O ATOM 1115 CB THR A 72 -7.580 9.083 6.655 1.00 0.00 C ATOM 1116 OG1 THR A 72 -8.494 8.148 6.064 1.00 0.00 O ATOM 1117 CG2 THR A 72 -8.352 10.255 7.249 1.00 0.00 C ATOM 0 H THR A 72 -5.802 10.767 7.159 1.00 0.00 H new ATOM 0 HA THR A 72 -5.956 8.665 5.305 1.00 0.00 H new ATOM 0 HB THR A 72 -7.039 8.594 7.465 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.154 7.869 6.732 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.084 9.883 7.966 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.659 10.928 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.866 10.793 6.453 1.00 0.00 H new ATOM 1125 N GLY A 73 -6.553 9.796 3.231 1.00 0.00 N ATOM 1126 CA GLY A 73 -7.096 10.131 1.932 1.00 0.00 C ATOM 1127 C GLY A 73 -6.381 9.366 0.839 1.00 0.00 C ATOM 1128 O GLY A 73 -6.409 9.749 -0.328 1.00 0.00 O ATOM 0 H GLY A 73 -5.667 9.291 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.161 9.900 1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.998 11.202 1.757 1.00 0.00 H new ATOM 1132 N CYS A 74 -5.751 8.264 1.229 1.00 0.00 N ATOM 1133 CA CYS A 74 -4.935 7.472 0.320 1.00 0.00 C ATOM 1134 C CYS A 74 -5.566 6.096 0.118 1.00 0.00 C ATOM 1135 O CYS A 74 -4.895 5.124 -0.231 1.00 0.00 O ATOM 1136 CB CYS A 74 -3.514 7.345 0.888 1.00 0.00 C ATOM 1137 SG CYS A 74 -2.318 6.580 -0.229 1.00 0.00 S ATOM 0 H CYS A 74 -5.792 7.897 2.180 1.00 0.00 H new ATOM 0 HA CYS A 74 -4.881 7.967 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.155 8.338 1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.556 6.761 1.808 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.857 5.542 -0.797 1.00 0.00 H new ATOM 1143 N LEU A 75 -6.871 6.028 0.337 1.00 0.00 N ATOM 1144 CA LEU A 75 -7.624 4.798 0.144 1.00 0.00 C ATOM 1145 C LEU A 75 -8.375 4.841 -1.180 1.00 0.00 C ATOM 1146 O LEU A 75 -8.944 5.874 -1.546 1.00 0.00 O ATOM 1147 CB LEU A 75 -8.617 4.593 1.289 1.00 0.00 C ATOM 1148 CG LEU A 75 -9.593 5.750 1.510 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -11.001 5.224 1.711 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -9.161 6.585 2.706 1.00 0.00 C ATOM 0 H LEU A 75 -7.434 6.818 0.651 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.921 3.966 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.189 3.686 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.058 4.427 2.210 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.586 6.385 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.683 6.060 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.310 4.664 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.024 4.570 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.865 7.404 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.143 5.960 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.165 6.990 2.526 1.00 0.00 H new ATOM 1162 N TYR A 76 -8.389 3.724 -1.889 1.00 0.00 N ATOM 1163 CA TYR A 76 -9.048 3.659 -3.184 1.00 0.00 C ATOM 1164 C TYR A 76 -10.530 3.375 -2.996 1.00 0.00 C ATOM 1165 O TYR A 76 -10.945 2.220 -2.852 1.00 0.00 O ATOM 1166 CB TYR A 76 -8.415 2.574 -4.058 1.00 0.00 C ATOM 1167 CG TYR A 76 -8.699 2.723 -5.540 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -9.965 2.485 -6.062 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -7.692 3.107 -6.417 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -10.219 2.625 -7.413 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -7.938 3.251 -7.769 1.00 0.00 C ATOM 1172 CZ TYR A 76 -9.201 3.007 -8.261 1.00 0.00 C ATOM 1173 OH TYR A 76 -9.449 3.149 -9.609 1.00 0.00 O ATOM 0 H TYR A 76 -7.953 2.852 -1.591 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.926 4.620 -3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.336 2.583 -3.904 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.776 1.600 -3.727 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.764 2.185 -5.400 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.700 3.296 -6.035 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.209 2.436 -7.802 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.144 3.553 -8.436 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.627 3.424 -10.066 1.00 0.00 H new ATOM 1183 N ASN A 77 -11.321 4.430 -2.968 1.00 0.00 N ATOM 1184 CA ASN A 77 -12.759 4.294 -2.837 1.00 0.00 C ATOM 1185 C ASN A 77 -13.422 4.548 -4.183 1.00 0.00 C ATOM 1186 O ASN A 77 -13.073 5.499 -4.885 1.00 0.00 O ATOM 1187 CB ASN A 77 -13.307 5.245 -1.756 1.00 0.00 C ATOM 1188 CG ASN A 77 -13.081 6.718 -2.064 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -13.943 7.388 -2.632 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -11.920 7.236 -1.683 1.00 0.00 N ATOM 0 H ASN A 77 -10.991 5.393 -3.034 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.991 3.277 -2.521 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.376 5.068 -1.637 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.836 5.006 -0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.719 8.220 -1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.229 6.650 -1.214 1.00 0.00 H new ATOM 1197 N PRO A 78 -14.346 3.667 -4.585 1.00 0.00 N ATOM 1198 CA PRO A 78 -15.070 3.799 -5.851 1.00 0.00 C ATOM 1199 C PRO A 78 -16.000 5.006 -5.851 1.00 0.00 C ATOM 1200 O PRO A 78 -17.116 4.945 -5.333 1.00 0.00 O ATOM 1201 CB PRO A 78 -15.875 2.495 -5.959 1.00 0.00 C ATOM 1202 CG PRO A 78 -15.285 1.578 -4.939 1.00 0.00 C ATOM 1203 CD PRO A 78 -14.750 2.461 -3.850 1.00 0.00 C ATOM 0 HA PRO A 78 -14.393 3.954 -6.691 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.933 2.670 -5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -15.801 2.069 -6.960 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.037 0.891 -4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.492 0.970 -5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.507 2.680 -3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.909 2.001 -3.332 1.00 0.00 H new ATOM 1211 N LYS A 79 -15.525 6.105 -6.417 1.00 0.00 N ATOM 1212 CA LYS A 79 -16.297 7.337 -6.470 1.00 0.00 C ATOM 1213 C LYS A 79 -17.248 7.299 -7.660 1.00 0.00 C ATOM 1214 O LYS A 79 -18.275 7.977 -7.685 1.00 0.00 O ATOM 1215 CB LYS A 79 -15.357 8.540 -6.582 1.00 0.00 C ATOM 1216 CG LYS A 79 -16.052 9.876 -6.395 1.00 0.00 C ATOM 1217 CD LYS A 79 -15.092 11.037 -6.590 1.00 0.00 C ATOM 1218 CE LYS A 79 -15.718 12.350 -6.149 1.00 0.00 C ATOM 1219 NZ LYS A 79 -15.968 12.375 -4.684 1.00 0.00 N ATOM 0 H LYS A 79 -14.603 6.169 -6.848 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.880 7.433 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.567 8.444 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.876 8.524 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.876 9.961 -7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -16.485 9.925 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.180 10.857 -6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.805 11.103 -7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.060 13.176 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.657 12.502 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.084 13.359 -4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.833 11.838 -4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.162 11.945 -4.187 1.00 0.00 H new ATOM 1233 N LEU A 80 -16.886 6.495 -8.645 1.00 0.00 N ATOM 1234 CA LEU A 80 -17.701 6.324 -9.833 1.00 0.00 C ATOM 1235 C LEU A 80 -18.905 5.439 -9.520 1.00 0.00 C ATOM 1236 O LEU A 80 -18.868 4.653 -8.566 1.00 0.00 O ATOM 1237 CB LEU A 80 -16.864 5.705 -10.957 1.00 0.00 C ATOM 1238 CG LEU A 80 -17.571 5.571 -12.307 1.00 0.00 C ATOM 1239 CD1 LEU A 80 -17.922 6.940 -12.870 1.00 0.00 C ATOM 1240 CD2 LEU A 80 -16.703 4.796 -13.284 1.00 0.00 C ATOM 0 H LEU A 80 -16.026 5.947 -8.644 1.00 0.00 H new ATOM 0 HA LEU A 80 -18.061 7.300 -10.160 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -15.968 6.310 -11.094 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -16.535 4.716 -10.639 1.00 0.00 H new ATOM 0 HG LEU A 80 -18.499 5.019 -12.156 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -18.424 6.821 -13.830 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -18.583 7.460 -12.177 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -17.010 7.522 -13.007 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -17.220 4.709 -14.240 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.759 5.322 -13.428 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.507 3.801 -12.886 1.00 0.00 H new ATOM 1252 N GLU A 81 -19.962 5.587 -10.325 1.00 0.00 N ATOM 1253 CA GLU A 81 -21.179 4.782 -10.199 1.00 0.00 C ATOM 1254 C GLU A 81 -22.013 5.188 -8.987 1.00 0.00 C ATOM 1255 O GLU A 81 -21.491 5.578 -7.945 1.00 0.00 O ATOM 1256 CB GLU A 81 -20.842 3.287 -10.116 1.00 0.00 C ATOM 1257 CG GLU A 81 -20.557 2.635 -11.457 1.00 0.00 C ATOM 1258 CD GLU A 81 -21.794 2.008 -12.065 1.00 0.00 C ATOM 1259 OE1 GLU A 81 -22.555 2.719 -12.749 1.00 0.00 O ATOM 1260 OE2 GLU A 81 -22.014 0.794 -11.849 1.00 0.00 O ATOM 0 H GLU A 81 -19.997 6.269 -11.083 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.771 4.968 -11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -19.973 3.158 -9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -21.673 2.765 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -20.156 3.381 -12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -19.789 1.871 -11.332 1.00 0.00 H new ATOM 1267 N HIS A 82 -23.324 5.116 -9.148 1.00 0.00 N ATOM 1268 CA HIS A 82 -24.245 5.227 -8.026 1.00 0.00 C ATOM 1269 C HIS A 82 -24.542 3.822 -7.542 1.00 0.00 C ATOM 1270 O HIS A 82 -24.896 3.590 -6.388 1.00 0.00 O ATOM 1271 CB HIS A 82 -25.540 5.937 -8.435 1.00 0.00 C ATOM 1272 CG HIS A 82 -25.348 7.366 -8.840 1.00 0.00 C ATOM 1273 ND1 HIS A 82 -25.853 8.429 -8.123 1.00 0.00 N ATOM 1274 CD2 HIS A 82 -24.702 7.905 -9.900 1.00 0.00 C ATOM 1275 CE1 HIS A 82 -25.530 9.558 -8.726 1.00 0.00 C ATOM 1276 NE2 HIS A 82 -24.830 9.265 -9.805 1.00 0.00 N ATOM 0 H HIS A 82 -23.778 4.980 -10.051 1.00 0.00 H new ATOM 0 HA HIS A 82 -23.794 5.823 -7.233 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -25.995 5.393 -9.263 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -26.243 5.897 -7.603 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -24.182 7.363 -10.676 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -25.794 10.551 -8.393 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -24.446 9.943 -10.463 1.00 0.00 H new ATOM 1285 N HIS A 83 -24.379 2.889 -8.469 1.00 0.00 N ATOM 1286 CA HIS A 83 -24.459 1.473 -8.179 1.00 0.00 C ATOM 1287 C HIS A 83 -23.144 0.995 -7.568 1.00 0.00 C ATOM 1288 O HIS A 83 -22.098 1.033 -8.214 1.00 0.00 O ATOM 1289 CB HIS A 83 -24.769 0.703 -9.470 1.00 0.00 C ATOM 1290 CG HIS A 83 -24.444 -0.759 -9.414 1.00 0.00 C ATOM 1291 ND1 HIS A 83 -23.409 -1.315 -10.134 1.00 0.00 N ATOM 1292 CD2 HIS A 83 -25.004 -1.774 -8.715 1.00 0.00 C ATOM 1293 CE1 HIS A 83 -23.346 -2.609 -9.881 1.00 0.00 C ATOM 1294 NE2 HIS A 83 -24.301 -2.913 -9.023 1.00 0.00 N ATOM 0 H HIS A 83 -24.186 3.099 -9.448 1.00 0.00 H new ATOM 0 HA HIS A 83 -25.259 1.290 -7.461 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -25.828 0.818 -9.702 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -24.212 1.155 -10.291 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -22.789 -0.806 -10.764 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -25.845 -1.702 -8.042 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -22.634 -3.301 -10.305 1.00 0.00 H new ATOM 1303 N HIS A 84 -23.200 0.561 -6.324 1.00 0.00 N ATOM 1304 CA HIS A 84 -22.024 0.043 -5.644 1.00 0.00 C ATOM 1305 C HIS A 84 -22.284 -1.369 -5.134 1.00 0.00 C ATOM 1306 O HIS A 84 -23.412 -1.864 -5.209 1.00 0.00 O ATOM 1307 CB HIS A 84 -21.605 0.973 -4.500 1.00 0.00 C ATOM 1308 CG HIS A 84 -20.997 2.263 -4.976 1.00 0.00 C ATOM 1309 ND1 HIS A 84 -21.414 3.506 -4.547 1.00 0.00 N ATOM 1310 CD2 HIS A 84 -19.984 2.492 -5.848 1.00 0.00 C ATOM 1311 CE1 HIS A 84 -20.683 4.438 -5.134 1.00 0.00 C ATOM 1312 NE2 HIS A 84 -19.811 3.850 -5.929 1.00 0.00 N ATOM 0 H HIS A 84 -24.050 0.556 -5.760 1.00 0.00 H new ATOM 0 HA HIS A 84 -21.202 0.001 -6.358 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -22.476 1.195 -3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -20.888 0.455 -3.863 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -19.418 1.743 -6.381 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -20.783 5.503 -4.987 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -19.121 4.327 -6.509 1.00 0.00 H new ATOM 1321 N HIS A 85 -21.246 -2.011 -4.621 1.00 0.00 N ATOM 1322 CA HIS A 85 -21.341 -3.403 -4.204 1.00 0.00 C ATOM 1323 C HIS A 85 -21.843 -3.487 -2.768 1.00 0.00 C ATOM 1324 O HIS A 85 -21.120 -3.162 -1.826 1.00 0.00 O ATOM 1325 CB HIS A 85 -19.973 -4.090 -4.331 1.00 0.00 C ATOM 1326 CG HIS A 85 -20.019 -5.587 -4.219 1.00 0.00 C ATOM 1327 ND1 HIS A 85 -19.811 -6.421 -5.294 1.00 0.00 N ATOM 1328 CD2 HIS A 85 -20.233 -6.399 -3.154 1.00 0.00 C ATOM 1329 CE1 HIS A 85 -19.898 -7.678 -4.898 1.00 0.00 C ATOM 1330 NE2 HIS A 85 -20.150 -7.693 -3.604 1.00 0.00 N ATOM 0 H HIS A 85 -20.327 -1.591 -4.483 1.00 0.00 H new ATOM 0 HA HIS A 85 -22.050 -3.916 -4.853 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -19.533 -3.823 -5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -19.311 -3.700 -3.558 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -19.619 -6.116 -6.248 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -20.432 -6.086 -2.140 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -19.782 -8.547 -5.528 1.00 0.00 H new ATOM 1339 N HIS A 86 -23.088 -3.906 -2.605 1.00 0.00 N ATOM 1340 CA HIS A 86 -23.668 -4.049 -1.277 1.00 0.00 C ATOM 1341 C HIS A 86 -23.493 -5.473 -0.772 1.00 0.00 C ATOM 1342 O HIS A 86 -23.760 -6.433 -1.492 1.00 0.00 O ATOM 1343 CB HIS A 86 -25.156 -3.683 -1.279 1.00 0.00 C ATOM 1344 CG HIS A 86 -25.773 -3.683 0.093 1.00 0.00 C ATOM 1345 ND1 HIS A 86 -26.501 -4.742 0.603 1.00 0.00 N ATOM 1346 CD2 HIS A 86 -25.753 -2.745 1.069 1.00 0.00 C ATOM 1347 CE1 HIS A 86 -26.897 -4.449 1.829 1.00 0.00 C ATOM 1348 NE2 HIS A 86 -26.456 -3.248 2.134 1.00 0.00 N ATOM 0 H HIS A 86 -23.715 -4.152 -3.371 1.00 0.00 H new ATOM 0 HA HIS A 86 -23.144 -3.363 -0.611 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -25.279 -2.696 -1.725 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -25.695 -4.388 -1.912 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -25.272 -1.779 1.018 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -27.484 -5.088 2.472 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -26.612 -2.768 3.020 1.00 0.00 H new ATOM 1357 N HIS A 87 -23.028 -5.603 0.458 1.00 0.00 N ATOM 1358 CA HIS A 87 -22.956 -6.901 1.111 1.00 0.00 C ATOM 1359 C HIS A 87 -23.534 -6.802 2.520 1.00 0.00 C ATOM 1360 O HIS A 87 -22.826 -6.342 3.435 1.00 0.00 O ATOM 1361 CB HIS A 87 -21.518 -7.461 1.121 1.00 0.00 C ATOM 1362 CG HIS A 87 -20.494 -6.604 1.812 1.00 0.00 C ATOM 1363 ND1 HIS A 87 -19.885 -6.967 2.994 1.00 0.00 N ATOM 1364 CD2 HIS A 87 -19.958 -5.410 1.469 1.00 0.00 C ATOM 1365 CE1 HIS A 87 -19.023 -6.034 3.345 1.00 0.00 C ATOM 1366 NE2 HIS A 87 -19.045 -5.078 2.438 1.00 0.00 N ATOM 1367 OXT HIS A 87 -24.713 -7.157 2.695 1.00 0.00 O ATOM 0 H HIS A 87 -22.694 -4.825 1.027 1.00 0.00 H new ATOM 0 HA HIS A 87 -23.556 -7.609 0.538 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -21.531 -8.439 1.601 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -21.200 -7.616 0.090 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -20.203 -4.826 0.594 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -18.402 -6.050 4.229 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -18.477 -4.231 2.454 1.00 0.00 H new TER 1376 HIS A 87 HETATM 1377 ZN ZN A 150 4.855 2.307 -6.105 1.00 0.00 ZN