USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 533 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 86 ASN : amide:sc= -3.31 K(o=-9.3,f=-13!) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -5.95! C(o=-9.3!,f=-14!) USER MOD Set 2.1: A 19 HIS :FLIP no HD1:sc= -9.96! C(o=-12!,f=-11!) USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= -1.29 USER MOD Set 3.1: A 31 GLN : amide:sc= -1.43! C(o=-5.3!,f=-12!) USER MOD Set 3.2: A 32 THR OG1 : rot 82:sc= -0.585 USER MOD Set 3.3: A 89 GLN :FLIP amide:sc= -3.33! C(o=-6.8!,f=-5.3!) USER MOD Set 4.1: A 10 MET CE :methyl 152:sc= -2.31 (180deg=-0.831) USER MOD Set 4.2: A 70 MET CE :methyl 178:sc= -1.72 (180deg=-1.55) USER MOD Set 5.1: A 8 LYS NZ :NH3+ -170:sc= -0.747 (180deg=-1.26!) USER MOD Set 5.2: A 9 GLN :FLIP amide:sc= -1.38! F(o=-3.6,f=-2.1!) USER MOD Single : A 4 ASN : amide:sc= 0.0113 X(o=0.011,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc=-0.00371 USER MOD Single : A 7 SER OG : rot 67:sc= -4.6! USER MOD Single : A 13 THR OG1 : rot 180:sc= -3.5! USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.868 (180deg=-1.52) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -5.14! C(o=-5.1!,f=-11!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.69! X(o=-1.7!,f=-1.3) USER MOD Single : A 42 ASN : amide:sc= -4.89! C(o=-4.9!,f=-7.8!) USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= -0.0282 (180deg=-0.319) USER MOD Single : A 46 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.24) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc=-0.00519 USER MOD Single : A 56 THR OG1 : rot -92:sc= -0.68 USER MOD Single : A 60 ASN : amide:sc= -0.505 K(o=-0.5,f=-3.6!) USER MOD Single : A 64 SER OG : rot -94:sc= 0.0127 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0074 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -1.4 F(o=-2.5,f=-1.4) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 3 0.405 -4.814 -7.390 1.00 0.00 N ATOM 32 CA LEU A 3 -0.498 -4.878 -6.246 1.00 0.00 C ATOM 33 C LEU A 3 -1.716 -5.739 -6.568 1.00 0.00 C ATOM 34 O LEU A 3 -2.544 -5.375 -7.403 1.00 0.00 O ATOM 35 CB LEU A 3 -0.936 -3.468 -5.838 1.00 0.00 C ATOM 36 CG LEU A 3 -2.071 -3.406 -4.814 1.00 0.00 C ATOM 37 CD1 LEU A 3 -2.016 -2.102 -4.034 1.00 0.00 C ATOM 38 CD2 LEU A 3 -3.417 -3.559 -5.504 1.00 0.00 C ATOM 0 HA LEU A 3 0.034 -5.336 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.073 -2.941 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.246 -2.929 -6.733 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.947 -4.230 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.831 -2.076 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.063 -2.032 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.115 -1.262 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.214 -3.513 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.548 -2.755 -6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.455 -4.519 -6.018 1.00 0.00 H new ATOM 44 N ASN A 4 -1.811 -6.885 -5.905 1.00 0.00 N ATOM 45 CA ASN A 4 -2.919 -7.810 -6.124 1.00 0.00 C ATOM 46 C ASN A 4 -4.147 -7.437 -5.294 1.00 0.00 C ATOM 47 O ASN A 4 -4.056 -6.689 -4.314 1.00 0.00 O ATOM 48 CB ASN A 4 -2.488 -9.231 -5.783 1.00 0.00 C ATOM 49 CG ASN A 4 -1.216 -9.641 -6.500 1.00 0.00 C ATOM 50 OD1 ASN A 4 -1.261 -10.232 -7.579 1.00 0.00 O ATOM 51 ND2 ASN A 4 -0.073 -9.328 -5.901 1.00 0.00 N ATOM 0 H ASN A 4 -1.133 -7.198 -5.210 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.193 -7.747 -7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.337 -9.313 -4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.288 -9.923 -6.046 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.815 -9.578 -6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.083 -8.838 -5.007 1.00 0.00 H new ATOM 56 N ILE A 5 -5.296 -7.975 -5.700 1.00 0.00 N ATOM 57 CA ILE A 5 -6.558 -7.718 -5.011 1.00 0.00 C ATOM 58 C ILE A 5 -7.320 -9.017 -4.749 1.00 0.00 C ATOM 59 O ILE A 5 -6.906 -10.091 -5.187 1.00 0.00 O ATOM 60 CB ILE A 5 -7.467 -6.757 -5.814 1.00 0.00 C ATOM 61 CG1 ILE A 5 -7.022 -6.666 -7.283 1.00 0.00 C ATOM 62 CG2 ILE A 5 -7.475 -5.385 -5.162 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.840 -5.746 -7.520 1.00 0.00 C ATOM 0 H ILE A 5 -5.378 -8.594 -6.506 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.301 -7.249 -4.061 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.482 -7.154 -5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.767 -7.665 -7.636 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.863 -6.321 -7.885 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.117 -4.714 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.853 -5.469 -4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.461 -4.986 -5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.591 -5.739 -8.581 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.096 -4.736 -7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.982 -6.101 -6.948 1.00 0.00 H new ATOM 67 N THR A 6 -8.434 -8.910 -4.027 1.00 0.00 N ATOM 68 CA THR A 6 -9.253 -10.075 -3.701 1.00 0.00 C ATOM 69 C THR A 6 -10.727 -9.691 -3.572 1.00 0.00 C ATOM 70 O THR A 6 -11.568 -10.139 -4.353 1.00 0.00 O ATOM 71 CB THR A 6 -8.760 -10.711 -2.399 1.00 0.00 C ATOM 72 OG1 THR A 6 -7.424 -11.160 -2.535 1.00 0.00 O ATOM 73 CG2 THR A 6 -9.595 -11.891 -1.948 1.00 0.00 C ATOM 0 H THR A 6 -8.790 -8.029 -3.657 1.00 0.00 H new ATOM 0 HA THR A 6 -9.160 -10.797 -4.513 1.00 0.00 H new ATOM 0 HB THR A 6 -8.841 -9.924 -1.649 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.127 -11.562 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.188 -12.291 -1.020 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.623 -11.568 -1.784 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.576 -12.665 -2.716 1.00 0.00 H new ATOM 78 N SER A 7 -11.031 -8.862 -2.577 1.00 0.00 N ATOM 79 CA SER A 7 -12.400 -8.411 -2.329 1.00 0.00 C ATOM 80 C SER A 7 -13.347 -9.585 -2.128 1.00 0.00 C ATOM 81 O SER A 7 -13.831 -10.179 -3.092 1.00 0.00 O ATOM 82 CB SER A 7 -12.910 -7.530 -3.475 1.00 0.00 C ATOM 83 OG SER A 7 -12.001 -7.517 -4.559 1.00 0.00 O ATOM 0 H SER A 7 -10.343 -8.486 -1.924 1.00 0.00 H new ATOM 0 HA SER A 7 -12.378 -7.821 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.879 -7.897 -3.815 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.063 -6.513 -3.114 1.00 0.00 H new ATOM 0 HG SER A 7 -11.967 -8.407 -4.968 1.00 0.00 H new ATOM 89 N LYS A 8 -13.617 -9.905 -0.868 1.00 0.00 N ATOM 90 CA LYS A 8 -14.520 -11.000 -0.538 1.00 0.00 C ATOM 91 C LYS A 8 -15.904 -10.779 -1.157 1.00 0.00 C ATOM 92 O LYS A 8 -16.657 -11.730 -1.362 1.00 0.00 O ATOM 93 CB LYS A 8 -14.636 -11.142 0.984 1.00 0.00 C ATOM 94 CG LYS A 8 -15.591 -10.143 1.622 1.00 0.00 C ATOM 95 CD LYS A 8 -15.183 -9.815 3.049 1.00 0.00 C ATOM 96 CE LYS A 8 -16.377 -9.378 3.884 1.00 0.00 C ATOM 97 NZ LYS A 8 -16.420 -7.901 4.062 1.00 0.00 N ATOM 0 H LYS A 8 -13.224 -9.423 -0.060 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.108 -11.920 -0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.970 -12.152 1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.648 -11.020 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.612 -9.229 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.602 -10.550 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.719 -10.689 3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.434 -9.023 3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.297 -9.713 3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.333 -9.860 4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.142 -7.658 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.491 -7.563 4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.657 -7.449 3.156 1.00 0.00 H new ATOM 111 N GLN A 9 -16.237 -9.518 -1.443 1.00 0.00 N ATOM 112 CA GLN A 9 -17.534 -9.187 -2.025 1.00 0.00 C ATOM 113 C GLN A 9 -17.384 -8.269 -3.241 1.00 0.00 C ATOM 114 O GLN A 9 -17.277 -8.747 -4.371 1.00 0.00 O ATOM 115 CB GLN A 9 -18.438 -8.534 -0.975 1.00 0.00 C ATOM 116 CG GLN A 9 -17.677 -7.759 0.089 1.00 0.00 C ATOM 117 CD GLN A 9 -18.547 -6.750 0.808 1.00 0.00 C ATOM 118 OE1 GLN A 9 -18.983 -5.722 0.088 1.00 0.00 O flip ATOM 119 NE2 GLN A 9 -18.829 -6.893 1.998 1.00 0.00 N flip ATOM 0 H GLN A 9 -15.628 -8.716 -1.281 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.995 -10.116 -2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.133 -7.860 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.036 -9.307 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.262 -8.458 0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -16.836 -7.243 -0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.473 -7.698 2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.419 -6.207 2.468 1.00 0.00 H new ATOM 126 N MET A 10 -17.385 -6.953 -3.014 1.00 0.00 N ATOM 127 CA MET A 10 -17.256 -5.995 -4.108 1.00 0.00 C ATOM 128 C MET A 10 -15.984 -6.248 -4.908 1.00 0.00 C ATOM 129 O MET A 10 -14.879 -5.981 -4.440 1.00 0.00 O ATOM 130 CB MET A 10 -17.280 -4.556 -3.583 1.00 0.00 C ATOM 131 CG MET A 10 -15.996 -4.109 -2.901 1.00 0.00 C ATOM 132 SD MET A 10 -16.302 -2.945 -1.560 1.00 0.00 S ATOM 133 CE MET A 10 -14.712 -2.136 -1.417 1.00 0.00 C ATOM 0 H MET A 10 -17.473 -6.532 -2.089 1.00 0.00 H new ATOM 0 HA MET A 10 -18.110 -6.132 -4.771 1.00 0.00 H new ATOM 0 HB2 MET A 10 -17.487 -3.883 -4.415 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.105 -4.454 -2.878 1.00 0.00 H new ATOM 0 HG2 MET A 10 -15.473 -4.981 -2.509 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.338 -3.647 -3.637 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.851 -1.125 -1.034 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.077 -2.699 -0.733 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.238 -2.090 -2.397 1.00 0.00 H new ATOM 143 N ASP A 11 -16.148 -6.775 -6.113 1.00 0.00 N ATOM 144 CA ASP A 11 -15.011 -7.075 -6.971 1.00 0.00 C ATOM 145 C ASP A 11 -14.223 -5.812 -7.299 1.00 0.00 C ATOM 146 O ASP A 11 -14.502 -4.738 -6.764 1.00 0.00 O ATOM 147 CB ASP A 11 -15.478 -7.751 -8.260 1.00 0.00 C ATOM 148 CG ASP A 11 -16.440 -8.893 -7.999 1.00 0.00 C ATOM 149 OD1 ASP A 11 -17.651 -8.626 -7.851 1.00 0.00 O ATOM 150 OD2 ASP A 11 -15.983 -10.054 -7.944 1.00 0.00 O ATOM 0 H ASP A 11 -17.056 -7.003 -6.518 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.355 -7.757 -6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.961 -7.012 -8.900 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.612 -8.127 -8.804 1.00 0.00 H new ATOM 155 N ILE A 12 -13.239 -5.946 -8.182 1.00 0.00 N ATOM 156 CA ILE A 12 -12.415 -4.809 -8.582 1.00 0.00 C ATOM 157 C ILE A 12 -12.862 -4.264 -9.931 1.00 0.00 C ATOM 158 O ILE A 12 -13.383 -4.998 -10.772 1.00 0.00 O ATOM 159 CB ILE A 12 -10.902 -5.154 -8.667 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.646 -6.645 -8.419 1.00 0.00 C ATOM 161 CG2 ILE A 12 -10.103 -4.309 -7.680 1.00 0.00 C ATOM 162 CD1 ILE A 12 -10.976 -7.092 -7.012 1.00 0.00 C ATOM 0 H ILE A 12 -12.993 -6.827 -8.633 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.550 -4.059 -7.803 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.571 -4.923 -9.679 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.238 -7.229 -9.124 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.598 -6.864 -8.624 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.046 -4.565 -7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.238 -3.253 -7.913 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.453 -4.505 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.770 -8.158 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.366 -6.535 -6.301 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.031 -6.906 -6.809 1.00 0.00 H new ATOM 166 N THR A 13 -12.649 -2.972 -10.129 1.00 0.00 N ATOM 167 CA THR A 13 -13.017 -2.313 -11.372 1.00 0.00 C ATOM 168 C THR A 13 -11.951 -1.294 -11.765 1.00 0.00 C ATOM 169 O THR A 13 -11.055 -0.988 -10.979 1.00 0.00 O ATOM 170 CB THR A 13 -14.380 -1.633 -11.227 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.698 -1.428 -9.863 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.514 -2.425 -11.845 1.00 0.00 C ATOM 0 H THR A 13 -12.220 -2.356 -9.439 1.00 0.00 H new ATOM 0 HA THR A 13 -13.086 -3.063 -12.160 1.00 0.00 H new ATOM 0 HB THR A 13 -14.285 -0.686 -11.758 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.572 -0.991 -9.793 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.452 -1.886 -11.707 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.326 -2.559 -12.910 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.581 -3.400 -11.363 1.00 0.00 H new ATOM 177 N PRO A 14 -12.028 -0.756 -12.992 1.00 0.00 N ATOM 178 CA PRO A 14 -11.062 0.226 -13.490 1.00 0.00 C ATOM 179 C PRO A 14 -10.724 1.310 -12.469 1.00 0.00 C ATOM 180 O PRO A 14 -9.635 1.878 -12.501 1.00 0.00 O ATOM 181 CB PRO A 14 -11.785 0.836 -14.684 1.00 0.00 C ATOM 182 CG PRO A 14 -12.639 -0.266 -15.203 1.00 0.00 C ATOM 183 CD PRO A 14 -13.062 -1.069 -14.001 1.00 0.00 C ATOM 0 HA PRO A 14 -10.103 -0.236 -13.726 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.384 1.697 -14.388 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -11.081 1.183 -15.440 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.506 0.129 -15.732 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.088 -0.885 -15.911 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.056 -0.783 -13.658 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.096 -2.136 -14.223 1.00 0.00 H new ATOM 191 N ALA A 15 -11.661 1.602 -11.574 1.00 0.00 N ATOM 192 CA ALA A 15 -11.447 2.632 -10.560 1.00 0.00 C ATOM 193 C ALA A 15 -10.480 2.159 -9.481 1.00 0.00 C ATOM 194 O ALA A 15 -9.289 2.478 -9.526 1.00 0.00 O ATOM 195 CB ALA A 15 -12.773 3.052 -9.944 1.00 0.00 C ATOM 0 H ALA A 15 -12.571 1.144 -11.528 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.998 3.496 -11.050 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.597 3.820 -9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.426 3.449 -10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.248 2.188 -9.478 1.00 0.00 H new ATOM 201 N ILE A 16 -10.987 1.400 -8.507 1.00 0.00 N ATOM 202 CA ILE A 16 -10.147 0.894 -7.427 1.00 0.00 C ATOM 203 C ILE A 16 -8.849 0.331 -7.984 1.00 0.00 C ATOM 204 O ILE A 16 -7.767 0.677 -7.517 1.00 0.00 O ATOM 205 CB ILE A 16 -10.845 -0.198 -6.588 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.772 -1.063 -7.456 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.596 0.426 -5.422 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.192 -0.548 -7.587 1.00 0.00 C ATOM 0 H ILE A 16 -11.968 1.126 -8.446 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.945 1.742 -6.773 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.078 -0.857 -6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.338 -1.146 -8.453 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.803 -2.069 -7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.082 -0.358 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.896 0.968 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.349 1.116 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.768 -1.225 -8.217 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.651 -0.492 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.179 0.444 -8.038 1.00 0.00 H new ATOM 212 N ARG A 17 -8.959 -0.514 -9.010 1.00 0.00 N ATOM 213 CA ARG A 17 -7.780 -1.097 -9.645 1.00 0.00 C ATOM 214 C ARG A 17 -6.718 -0.020 -9.839 1.00 0.00 C ATOM 215 O ARG A 17 -5.590 -0.139 -9.358 1.00 0.00 O ATOM 216 CB ARG A 17 -8.151 -1.705 -10.998 1.00 0.00 C ATOM 217 CG ARG A 17 -7.047 -2.557 -11.604 1.00 0.00 C ATOM 218 CD ARG A 17 -7.501 -3.229 -12.891 1.00 0.00 C ATOM 219 NE ARG A 17 -7.638 -4.675 -12.733 1.00 0.00 N ATOM 220 CZ ARG A 17 -7.651 -5.534 -13.750 1.00 0.00 C ATOM 221 NH1 ARG A 17 -7.537 -5.097 -14.998 1.00 0.00 N ATOM 222 NH2 ARG A 17 -7.777 -6.834 -13.519 1.00 0.00 N ATOM 0 H ARG A 17 -9.847 -0.808 -9.416 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.387 -1.885 -9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.046 -2.315 -10.880 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.402 -0.902 -11.692 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.175 -1.934 -11.806 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.737 -3.316 -10.886 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.456 -2.806 -13.204 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.783 -3.017 -13.684 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.729 -5.048 -11.788 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.439 -4.099 -15.182 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.548 -5.760 -15.773 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.864 -7.176 -12.562 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.787 -7.492 -14.298 1.00 0.00 H new ATOM 236 N GLU A 18 -7.112 1.048 -10.524 1.00 0.00 N ATOM 237 CA GLU A 18 -6.222 2.174 -10.766 1.00 0.00 C ATOM 238 C GLU A 18 -5.814 2.812 -9.444 1.00 0.00 C ATOM 239 O GLU A 18 -4.664 3.206 -9.263 1.00 0.00 O ATOM 240 CB GLU A 18 -6.909 3.212 -11.658 1.00 0.00 C ATOM 241 CG GLU A 18 -6.057 3.664 -12.832 1.00 0.00 C ATOM 242 CD GLU A 18 -6.415 2.950 -14.122 1.00 0.00 C ATOM 243 OE1 GLU A 18 -6.102 1.747 -14.240 1.00 0.00 O ATOM 244 OE2 GLU A 18 -7.011 3.594 -15.011 1.00 0.00 O ATOM 0 H GLU A 18 -8.045 1.156 -10.922 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.329 1.810 -11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.842 2.793 -12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.171 4.081 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.177 4.739 -12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.006 3.487 -12.603 1.00 0.00 H new ATOM 251 N HIS A 19 -6.766 2.896 -8.516 1.00 0.00 N ATOM 252 CA HIS A 19 -6.505 3.466 -7.204 1.00 0.00 C ATOM 253 C HIS A 19 -5.436 2.644 -6.494 1.00 0.00 C ATOM 254 O HIS A 19 -4.303 3.093 -6.320 1.00 0.00 O ATOM 255 CB HIS A 19 -7.797 3.485 -6.393 1.00 0.00 C ATOM 256 CG HIS A 19 -7.817 4.484 -5.293 1.00 0.00 C ATOM 257 ND1 HIS A 19 -8.437 4.432 -4.105 1.00 0.00 N flip ATOM 258 CD2 HIS A 19 -7.173 5.701 -5.344 1.00 0.00 C flip ATOM 259 CE1 HIS A 19 -8.167 5.608 -3.449 1.00 0.00 C flip ATOM 260 NE2 HIS A 19 -7.401 6.358 -4.219 1.00 0.00 N flip ATOM 0 H HIS A 19 -7.724 2.575 -8.653 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.143 4.489 -7.310 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.631 3.686 -7.066 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.961 2.494 -5.970 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.578 6.061 -6.170 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.523 5.875 -2.465 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -7.046 7.285 -3.986 1.00 0.00 H new ATOM 269 N LEU A 20 -5.802 1.422 -6.114 1.00 0.00 N ATOM 270 CA LEU A 20 -4.877 0.503 -5.451 1.00 0.00 C ATOM 271 C LEU A 20 -3.537 0.483 -6.182 1.00 0.00 C ATOM 272 O LEU A 20 -2.477 0.671 -5.574 1.00 0.00 O ATOM 273 CB LEU A 20 -5.474 -0.906 -5.409 1.00 0.00 C ATOM 274 CG LEU A 20 -6.993 -0.959 -5.182 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.510 -2.388 -5.167 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.353 -0.247 -3.893 1.00 0.00 C ATOM 0 H LEU A 20 -6.738 1.043 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.714 0.848 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.244 -1.410 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.983 -1.469 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.474 -0.448 -6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.588 -2.383 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.289 -2.865 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.024 -2.942 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.432 -0.291 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.850 -0.732 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.037 0.794 -3.952 1.00 0.00 H new ATOM 282 N GLU A 21 -3.593 0.278 -7.497 1.00 0.00 N ATOM 283 CA GLU A 21 -2.389 0.259 -8.318 1.00 0.00 C ATOM 284 C GLU A 21 -1.623 1.566 -8.149 1.00 0.00 C ATOM 285 O GLU A 21 -0.468 1.571 -7.721 1.00 0.00 O ATOM 286 CB GLU A 21 -2.750 0.043 -9.789 1.00 0.00 C ATOM 287 CG GLU A 21 -3.179 -1.380 -10.104 1.00 0.00 C ATOM 288 CD GLU A 21 -3.549 -1.570 -11.563 1.00 0.00 C ATOM 289 OE1 GLU A 21 -4.164 -0.651 -12.143 1.00 0.00 O ATOM 290 OE2 GLU A 21 -3.222 -2.636 -12.124 1.00 0.00 O ATOM 0 H GLU A 21 -4.459 0.123 -8.014 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.756 -0.566 -7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.555 0.726 -10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.890 0.300 -10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.371 -2.064 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.032 -1.645 -9.479 1.00 0.00 H new ATOM 297 N GLU A 22 -2.285 2.677 -8.467 1.00 0.00 N ATOM 298 CA GLU A 22 -1.675 3.995 -8.327 1.00 0.00 C ATOM 299 C GLU A 22 -1.115 4.166 -6.920 1.00 0.00 C ATOM 300 O GLU A 22 -0.061 4.775 -6.727 1.00 0.00 O ATOM 301 CB GLU A 22 -2.697 5.095 -8.619 1.00 0.00 C ATOM 302 CG GLU A 22 -2.923 5.339 -10.103 1.00 0.00 C ATOM 303 CD GLU A 22 -2.814 6.805 -10.477 1.00 0.00 C ATOM 304 OE1 GLU A 22 -3.490 7.633 -9.831 1.00 0.00 O ATOM 305 OE2 GLU A 22 -2.054 7.123 -11.414 1.00 0.00 O ATOM 0 H GLU A 22 -3.241 2.690 -8.822 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.861 4.077 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.647 4.829 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.363 6.022 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.194 4.766 -10.677 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.910 4.969 -10.382 1.00 0.00 H new ATOM 312 N ARG A 23 -1.819 3.603 -5.939 1.00 0.00 N ATOM 313 CA ARG A 23 -1.380 3.672 -4.550 1.00 0.00 C ATOM 314 C ARG A 23 -0.030 2.986 -4.411 1.00 0.00 C ATOM 315 O ARG A 23 0.914 3.553 -3.860 1.00 0.00 O ATOM 316 CB ARG A 23 -2.398 3.018 -3.609 1.00 0.00 C ATOM 317 CG ARG A 23 -2.573 3.770 -2.302 1.00 0.00 C ATOM 318 CD ARG A 23 -1.298 3.762 -1.472 1.00 0.00 C ATOM 319 NE ARG A 23 -1.415 2.903 -0.296 1.00 0.00 N ATOM 320 CZ ARG A 23 -1.090 1.611 -0.279 1.00 0.00 C ATOM 321 NH1 ARG A 23 -0.634 1.017 -1.375 1.00 0.00 N ATOM 322 NH2 ARG A 23 -1.222 0.910 0.839 1.00 0.00 N ATOM 0 H ARG A 23 -2.693 3.096 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.292 4.722 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.361 2.953 -4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.081 1.997 -3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.865 4.799 -2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.383 3.319 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.466 3.421 -2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.065 4.779 -1.156 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.768 3.319 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.530 1.550 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.387 0.027 -1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.572 1.360 1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.973 -0.079 0.853 1.00 0.00 H new ATOM 336 N LEU A 24 0.061 1.767 -4.937 1.00 0.00 N ATOM 337 CA LEU A 24 1.309 1.019 -4.887 1.00 0.00 C ATOM 338 C LEU A 24 2.385 1.762 -5.668 1.00 0.00 C ATOM 339 O LEU A 24 3.524 1.890 -5.215 1.00 0.00 O ATOM 340 CB LEU A 24 1.118 -0.390 -5.455 1.00 0.00 C ATOM 341 CG LEU A 24 1.939 -1.493 -4.778 1.00 0.00 C ATOM 342 CD1 LEU A 24 3.425 -1.173 -4.837 1.00 0.00 C ATOM 343 CD2 LEU A 24 1.488 -1.695 -3.337 1.00 0.00 C ATOM 0 H LEU A 24 -0.709 1.282 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 24 1.621 0.927 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.062 -0.651 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.371 -0.372 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 24 1.770 -2.423 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.988 -1.969 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.738 -1.090 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.615 -0.230 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.084 -2.482 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.620 -0.767 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.436 -1.980 -3.322 1.00 0.00 H new ATOM 349 N ALA A 25 2.006 2.272 -6.838 1.00 0.00 N ATOM 350 CA ALA A 25 2.931 3.025 -7.673 1.00 0.00 C ATOM 351 C ALA A 25 3.427 4.253 -6.924 1.00 0.00 C ATOM 352 O ALA A 25 4.579 4.663 -7.070 1.00 0.00 O ATOM 353 CB ALA A 25 2.262 3.429 -8.978 1.00 0.00 C ATOM 0 H ALA A 25 1.067 2.176 -7.226 1.00 0.00 H new ATOM 0 HA ALA A 25 3.786 2.391 -7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.968 3.991 -9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.946 2.536 -9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.392 4.050 -8.764 1.00 0.00 H new ATOM 359 N LYS A 26 2.548 4.824 -6.105 1.00 0.00 N ATOM 360 CA LYS A 26 2.890 5.994 -5.308 1.00 0.00 C ATOM 361 C LYS A 26 3.793 5.587 -4.152 1.00 0.00 C ATOM 362 O LYS A 26 4.766 6.271 -3.836 1.00 0.00 O ATOM 363 CB LYS A 26 1.623 6.668 -4.776 1.00 0.00 C ATOM 364 CG LYS A 26 1.682 8.188 -4.804 1.00 0.00 C ATOM 365 CD LYS A 26 2.661 8.727 -3.772 1.00 0.00 C ATOM 366 CE LYS A 26 3.926 9.259 -4.429 1.00 0.00 C ATOM 367 NZ LYS A 26 4.657 10.203 -3.540 1.00 0.00 N ATOM 0 H LYS A 26 1.592 4.493 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 26 3.420 6.706 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.770 6.335 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.449 6.339 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.978 8.523 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.689 8.595 -4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.185 9.522 -3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.920 7.937 -3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.579 8.425 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.667 9.763 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.334 10.757 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.979 10.846 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.170 9.667 -2.811 1.00 0.00 H new ATOM 381 N LEU A 27 3.471 4.452 -3.535 1.00 0.00 N ATOM 382 CA LEU A 27 4.262 3.937 -2.424 1.00 0.00 C ATOM 383 C LEU A 27 5.581 3.356 -2.928 1.00 0.00 C ATOM 384 O LEU A 27 6.469 3.039 -2.140 1.00 0.00 O ATOM 385 CB LEU A 27 3.475 2.875 -1.647 1.00 0.00 C ATOM 386 CG LEU A 27 2.809 3.374 -0.361 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.188 2.214 0.404 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.813 4.112 0.513 1.00 0.00 C ATOM 0 H LEU A 27 2.669 3.874 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 27 4.483 4.765 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.706 2.464 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.150 2.057 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 27 2.016 4.070 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.720 2.588 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.436 1.729 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.963 1.493 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.320 4.458 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.629 3.439 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.210 4.968 -0.033 1.00 0.00 H new ATOM 394 N GLY A 28 5.709 3.223 -4.247 1.00 0.00 N ATOM 395 CA GLY A 28 6.929 2.690 -4.819 1.00 0.00 C ATOM 396 C GLY A 28 8.125 3.580 -4.541 1.00 0.00 C ATOM 397 O GLY A 28 9.255 3.103 -4.446 1.00 0.00 O ATOM 0 H GLY A 28 4.990 3.475 -4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.115 1.696 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.805 2.576 -5.896 1.00 0.00 H new ATOM 401 N LYS A 29 7.872 4.881 -4.407 1.00 0.00 N ATOM 402 CA LYS A 29 8.938 5.841 -4.133 1.00 0.00 C ATOM 403 C LYS A 29 9.400 5.757 -2.679 1.00 0.00 C ATOM 404 O LYS A 29 10.414 6.347 -2.306 1.00 0.00 O ATOM 405 CB LYS A 29 8.482 7.268 -4.462 1.00 0.00 C ATOM 406 CG LYS A 29 7.454 7.845 -3.494 1.00 0.00 C ATOM 407 CD LYS A 29 7.818 9.262 -3.069 1.00 0.00 C ATOM 408 CE LYS A 29 7.937 9.385 -1.557 1.00 0.00 C ATOM 409 NZ LYS A 29 9.317 9.757 -1.137 1.00 0.00 N ATOM 0 H LYS A 29 6.942 5.293 -4.483 1.00 0.00 H new ATOM 0 HA LYS A 29 9.783 5.587 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.355 7.920 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.061 7.278 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.471 7.847 -3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.384 7.207 -2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.762 9.549 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.060 9.956 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.233 10.136 -1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.659 8.439 -1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.356 9.831 -0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.986 9.028 -1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.574 10.672 -1.559 1.00 0.00 H new ATOM 423 N TRP A 30 8.655 5.017 -1.864 1.00 0.00 N ATOM 424 CA TRP A 30 8.993 4.850 -0.457 1.00 0.00 C ATOM 425 C TRP A 30 10.083 3.800 -0.294 1.00 0.00 C ATOM 426 O TRP A 30 9.779 2.622 -0.128 1.00 0.00 O ATOM 427 CB TRP A 30 7.752 4.441 0.336 1.00 0.00 C ATOM 428 CG TRP A 30 6.919 5.599 0.788 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.987 6.282 0.063 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.949 6.210 2.079 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.429 7.278 0.830 1.00 0.00 N ATOM 432 CE2 TRP A 30 6.006 7.254 2.073 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.682 5.970 3.238 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.781 8.056 3.190 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.460 6.766 4.343 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.515 7.797 4.314 1.00 0.00 C ATOM 0 H TRP A 30 7.812 4.523 -2.156 1.00 0.00 H new ATOM 0 HA TRP A 30 9.363 5.801 -0.073 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.139 3.782 -0.279 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.062 3.865 1.208 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.725 6.071 -0.963 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.705 7.928 0.524 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.412 5.175 3.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.053 8.853 3.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.026 6.590 5.246 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.362 8.400 5.197 1.00 0.00 H new ATOM 447 N GLN A 31 11.349 4.244 -0.357 1.00 0.00 N ATOM 448 CA GLN A 31 12.522 3.361 -0.235 1.00 0.00 C ATOM 449 C GLN A 31 12.179 2.019 0.409 1.00 0.00 C ATOM 450 O GLN A 31 12.544 1.747 1.552 1.00 0.00 O ATOM 451 CB GLN A 31 13.637 4.053 0.559 1.00 0.00 C ATOM 452 CG GLN A 31 13.191 4.606 1.903 1.00 0.00 C ATOM 453 CD GLN A 31 12.315 5.836 1.767 1.00 0.00 C ATOM 454 OE1 GLN A 31 11.206 5.886 2.299 1.00 0.00 O ATOM 455 NE2 GLN A 31 12.809 6.837 1.047 1.00 0.00 N ATOM 0 H GLN A 31 11.589 5.226 -0.494 1.00 0.00 H new ATOM 0 HA GLN A 31 12.869 3.158 -1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.447 3.342 0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.043 4.868 -0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.645 3.834 2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.069 4.854 2.499 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.733 6.753 0.624 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.264 7.690 0.918 1.00 0.00 H new ATOM 462 N THR A 32 11.461 1.193 -0.345 1.00 0.00 N ATOM 463 CA THR A 32 11.041 -0.112 0.116 1.00 0.00 C ATOM 464 C THR A 32 10.923 -1.067 -1.069 1.00 0.00 C ATOM 465 O THR A 32 10.954 -0.643 -2.224 1.00 0.00 O ATOM 466 CB THR A 32 9.696 0.014 0.833 1.00 0.00 C ATOM 467 OG1 THR A 32 9.739 1.055 1.792 1.00 0.00 O ATOM 468 CG2 THR A 32 9.266 -1.242 1.548 1.00 0.00 C ATOM 0 H THR A 32 11.157 1.416 -1.293 1.00 0.00 H new ATOM 0 HA THR A 32 11.780 -0.510 0.811 1.00 0.00 H new ATOM 0 HB THR A 32 8.974 0.222 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.590 1.916 1.347 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.304 -1.074 2.032 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.174 -2.056 0.829 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.009 -1.505 2.301 1.00 0.00 H new ATOM 473 N GLN A 33 10.776 -2.349 -0.778 1.00 0.00 N ATOM 474 CA GLN A 33 10.638 -3.360 -1.812 1.00 0.00 C ATOM 475 C GLN A 33 9.473 -4.264 -1.473 1.00 0.00 C ATOM 476 O GLN A 33 9.600 -5.197 -0.680 1.00 0.00 O ATOM 477 CB GLN A 33 11.915 -4.183 -1.958 1.00 0.00 C ATOM 478 CG GLN A 33 12.622 -4.469 -0.644 1.00 0.00 C ATOM 479 CD GLN A 33 13.564 -3.347 -0.240 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.349 -2.187 -0.592 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.617 -3.681 0.497 1.00 0.00 N ATOM 0 H GLN A 33 10.749 -2.716 0.173 1.00 0.00 H new ATOM 0 HA GLN A 33 10.455 -2.861 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.671 -5.129 -2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.601 -3.655 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.880 -4.618 0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.184 -5.399 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.761 -4.653 0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.281 -2.965 0.791 1.00 0.00 H new ATOM 488 N LEU A 34 8.332 -3.959 -2.056 1.00 0.00 N ATOM 489 CA LEU A 34 7.127 -4.716 -1.799 1.00 0.00 C ATOM 490 C LEU A 34 7.305 -6.185 -2.165 1.00 0.00 C ATOM 491 O LEU A 34 7.153 -6.573 -3.324 1.00 0.00 O ATOM 492 CB LEU A 34 5.946 -4.113 -2.566 1.00 0.00 C ATOM 493 CG LEU A 34 5.761 -2.596 -2.408 1.00 0.00 C ATOM 494 CD1 LEU A 34 6.229 -2.127 -1.035 1.00 0.00 C ATOM 495 CD2 LEU A 34 6.498 -1.848 -3.511 1.00 0.00 C ATOM 0 H LEU A 34 8.215 -3.188 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 34 6.919 -4.662 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.070 -4.338 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.032 -4.609 -2.240 1.00 0.00 H new ATOM 0 HG LEU A 34 4.697 -2.376 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.087 -1.050 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.650 -2.631 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.286 -2.364 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.355 -0.775 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.562 -2.081 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.106 -2.152 -4.482 1.00 0.00 H new ATOM 501 N ILE A 35 7.627 -6.994 -1.164 1.00 0.00 N ATOM 502 CA ILE A 35 7.828 -8.422 -1.362 1.00 0.00 C ATOM 503 C ILE A 35 6.554 -9.086 -1.888 1.00 0.00 C ATOM 504 O ILE A 35 6.612 -10.053 -2.646 1.00 0.00 O ATOM 505 CB ILE A 35 8.273 -9.099 -0.053 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.647 -8.555 0.358 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.310 -10.615 -0.215 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.326 -9.368 1.432 1.00 0.00 C ATOM 0 H ILE A 35 7.755 -6.682 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 35 8.616 -8.546 -2.105 1.00 0.00 H new ATOM 0 HB ILE A 35 7.553 -8.871 0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.291 -8.520 -0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.531 -7.530 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.627 -11.073 0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.316 -10.977 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.013 -10.879 -1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.292 -8.922 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.703 -9.382 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.475 -10.388 1.077 1.00 0.00 H new ATOM 512 N SER A 36 5.408 -8.548 -1.485 1.00 0.00 N ATOM 513 CA SER A 36 4.115 -9.072 -1.917 1.00 0.00 C ATOM 514 C SER A 36 3.000 -8.103 -1.542 1.00 0.00 C ATOM 515 O SER A 36 2.497 -8.114 -0.419 1.00 0.00 O ATOM 516 CB SER A 36 3.856 -10.447 -1.301 1.00 0.00 C ATOM 517 OG SER A 36 2.484 -10.795 -1.384 1.00 0.00 O ATOM 0 H SER A 36 5.347 -7.746 -0.857 1.00 0.00 H new ATOM 0 HA SER A 36 4.133 -9.181 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.456 -11.198 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.171 -10.446 -0.258 1.00 0.00 H new ATOM 0 HG SER A 36 2.346 -11.679 -0.984 1.00 0.00 H new ATOM 523 N PRO A 37 2.626 -7.235 -2.489 1.00 0.00 N ATOM 524 CA PRO A 37 1.595 -6.223 -2.288 1.00 0.00 C ATOM 525 C PRO A 37 0.181 -6.703 -2.605 1.00 0.00 C ATOM 526 O PRO A 37 -0.143 -7.013 -3.753 1.00 0.00 O ATOM 527 CB PRO A 37 2.014 -5.146 -3.278 1.00 0.00 C ATOM 528 CG PRO A 37 2.624 -5.899 -4.414 1.00 0.00 C ATOM 529 CD PRO A 37 3.214 -7.155 -3.837 1.00 0.00 C ATOM 0 HA PRO A 37 1.537 -5.909 -1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.159 -4.555 -3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.728 -4.453 -2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.873 -6.136 -5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.392 -5.302 -4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.959 -8.029 -4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.302 -7.103 -3.796 1.00 0.00 H new ATOM 537 N HIS A 38 -0.662 -6.729 -1.580 1.00 0.00 N ATOM 538 CA HIS A 38 -2.051 -7.131 -1.733 1.00 0.00 C ATOM 539 C HIS A 38 -2.970 -6.039 -1.231 1.00 0.00 C ATOM 540 O HIS A 38 -2.539 -5.099 -0.562 1.00 0.00 O ATOM 541 CB HIS A 38 -2.348 -8.407 -0.955 1.00 0.00 C ATOM 542 CG HIS A 38 -2.681 -9.578 -1.816 1.00 0.00 C ATOM 543 ND1 HIS A 38 -1.962 -10.750 -1.789 1.00 0.00 N ATOM 544 CD2 HIS A 38 -3.676 -9.765 -2.713 1.00 0.00 C ATOM 545 CE1 HIS A 38 -2.501 -11.613 -2.633 1.00 0.00 C ATOM 546 NE2 HIS A 38 -3.543 -11.039 -3.206 1.00 0.00 N ATOM 0 H HIS A 38 -0.403 -6.474 -0.627 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.222 -7.311 -2.794 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.483 -8.655 -0.340 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.179 -8.221 -0.275 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.433 -9.046 -2.990 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.149 -12.616 -2.822 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.150 -11.472 -3.902 1.00 0.00 H new ATOM 555 N PHE A 39 -4.241 -6.190 -1.534 1.00 0.00 N ATOM 556 CA PHE A 39 -5.241 -5.237 -1.091 1.00 0.00 C ATOM 557 C PHE A 39 -6.603 -5.901 -0.940 1.00 0.00 C ATOM 558 O PHE A 39 -7.280 -6.188 -1.929 1.00 0.00 O ATOM 559 CB PHE A 39 -5.321 -4.051 -2.044 1.00 0.00 C ATOM 560 CG PHE A 39 -4.777 -2.779 -1.461 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.413 -2.545 -1.417 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.635 -1.817 -0.953 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.914 -1.374 -0.877 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.143 -0.645 -0.413 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.781 -0.424 -0.373 1.00 0.00 C ATOM 0 H PHE A 39 -4.609 -6.965 -2.086 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.938 -4.867 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.771 -4.289 -2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.361 -3.895 -2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.731 -3.285 -1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.701 -1.986 -0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.848 -1.202 -0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.823 0.098 -0.023 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.394 0.490 0.052 1.00 0.00 H new ATOM 575 N VAL A 40 -7.002 -6.135 0.304 1.00 0.00 N ATOM 576 CA VAL A 40 -8.276 -6.751 0.594 1.00 0.00 C ATOM 577 C VAL A 40 -9.358 -5.683 0.725 1.00 0.00 C ATOM 578 O VAL A 40 -9.557 -5.101 1.793 1.00 0.00 O ATOM 579 CB VAL A 40 -8.197 -7.589 1.882 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.545 -8.204 2.207 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.129 -8.667 1.744 1.00 0.00 C ATOM 0 H VAL A 40 -6.451 -5.902 1.130 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.532 -7.416 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.921 -6.932 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.466 -8.792 3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.282 -7.413 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.858 -8.850 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.083 -9.253 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.378 -9.321 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.161 -8.199 1.563 1.00 0.00 H new ATOM 585 N LEU A 41 -10.031 -5.427 -0.387 1.00 0.00 N ATOM 586 CA LEU A 41 -11.090 -4.419 -0.450 1.00 0.00 C ATOM 587 C LEU A 41 -12.449 -5.010 -0.115 1.00 0.00 C ATOM 588 O LEU A 41 -12.825 -6.053 -0.639 1.00 0.00 O ATOM 589 CB LEU A 41 -11.186 -3.787 -1.850 1.00 0.00 C ATOM 590 CG LEU A 41 -10.193 -4.283 -2.901 1.00 0.00 C ATOM 591 CD1 LEU A 41 -10.405 -5.761 -3.176 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.357 -3.481 -4.181 1.00 0.00 C ATOM 0 H LEU A 41 -9.863 -5.908 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.825 -3.660 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.194 -3.954 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.060 -2.709 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.180 -4.146 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.690 -6.098 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.259 -6.327 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.419 -5.921 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.647 -3.838 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.372 -3.602 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.169 -2.427 -3.977 1.00 0.00 H new ATOM 598 N ASN A 42 -13.206 -4.318 0.723 1.00 0.00 N ATOM 599 CA ASN A 42 -14.540 -4.779 1.065 1.00 0.00 C ATOM 600 C ASN A 42 -15.462 -3.615 1.405 1.00 0.00 C ATOM 601 O ASN A 42 -15.014 -2.502 1.684 1.00 0.00 O ATOM 602 CB ASN A 42 -14.514 -5.771 2.229 1.00 0.00 C ATOM 603 CG ASN A 42 -13.541 -6.907 1.997 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.661 -7.654 1.026 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.575 -7.047 2.890 1.00 0.00 N ATOM 0 H ASN A 42 -12.923 -3.447 1.173 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.929 -5.289 0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.243 -5.245 3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.514 -6.178 2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.892 -7.797 2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.514 -6.404 3.680 1.00 0.00 H new ATOM 610 N LYS A 43 -16.754 -3.896 1.395 1.00 0.00 N ATOM 611 CA LYS A 43 -17.765 -2.896 1.717 1.00 0.00 C ATOM 612 C LYS A 43 -18.705 -3.438 2.779 1.00 0.00 C ATOM 613 O LYS A 43 -18.780 -4.646 2.999 1.00 0.00 O ATOM 614 CB LYS A 43 -18.595 -2.522 0.483 1.00 0.00 C ATOM 615 CG LYS A 43 -19.988 -1.996 0.826 1.00 0.00 C ATOM 616 CD LYS A 43 -20.687 -1.427 -0.401 1.00 0.00 C ATOM 617 CE LYS A 43 -22.034 -2.086 -0.641 1.00 0.00 C ATOM 618 NZ LYS A 43 -22.945 -1.936 0.528 1.00 0.00 N ATOM 0 H LYS A 43 -17.132 -4.815 1.166 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.246 -2.008 2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.060 -1.765 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.693 -3.397 -0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.589 -2.802 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.908 -1.224 1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.825 -0.353 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.053 -1.566 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.500 -1.647 -1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.887 -3.145 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.933 -1.999 0.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.755 -2.693 1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.784 -1.012 0.977 1.00 0.00 H new ATOM 632 N VAL A 44 -19.443 -2.544 3.409 1.00 0.00 N ATOM 633 CA VAL A 44 -20.399 -2.941 4.410 1.00 0.00 C ATOM 634 C VAL A 44 -21.539 -1.931 4.518 1.00 0.00 C ATOM 635 O VAL A 44 -21.400 -0.775 4.122 1.00 0.00 O ATOM 636 CB VAL A 44 -19.738 -3.114 5.775 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.077 -4.482 5.881 1.00 0.00 C ATOM 638 CG2 VAL A 44 -18.734 -2.004 6.054 1.00 0.00 C ATOM 0 H VAL A 44 -19.395 -1.539 3.241 1.00 0.00 H new ATOM 0 HA VAL A 44 -20.807 -3.901 4.095 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.519 -3.048 6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -18.611 -4.586 6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -19.829 -5.260 5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.317 -4.580 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.283 -2.159 7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -17.956 -2.017 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.243 -1.040 6.037 1.00 0.00 H new ATOM 642 N PRO A 45 -22.694 -2.353 5.052 1.00 0.00 N ATOM 643 CA PRO A 45 -23.857 -1.474 5.201 1.00 0.00 C ATOM 644 C PRO A 45 -23.507 -0.143 5.858 1.00 0.00 C ATOM 645 O PRO A 45 -23.967 0.914 5.429 1.00 0.00 O ATOM 646 CB PRO A 45 -24.797 -2.283 6.096 1.00 0.00 C ATOM 647 CG PRO A 45 -24.439 -3.705 5.831 1.00 0.00 C ATOM 648 CD PRO A 45 -22.961 -3.717 5.549 1.00 0.00 C ATOM 0 HA PRO A 45 -24.288 -1.204 4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -24.659 -2.029 7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -25.841 -2.086 5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -24.677 -4.333 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.001 -4.097 4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.383 -3.938 6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -22.700 -4.473 4.808 1.00 0.00 H new ATOM 656 N ASN A 46 -22.699 -0.207 6.909 1.00 0.00 N ATOM 657 CA ASN A 46 -22.292 0.988 7.641 1.00 0.00 C ATOM 658 C ASN A 46 -21.142 1.729 6.953 1.00 0.00 C ATOM 659 O ASN A 46 -20.635 2.716 7.487 1.00 0.00 O ATOM 660 CB ASN A 46 -21.883 0.616 9.067 1.00 0.00 C ATOM 661 CG ASN A 46 -20.779 -0.423 9.099 1.00 0.00 C ATOM 662 OD1 ASN A 46 -21.036 -1.613 9.281 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.541 0.024 8.923 1.00 0.00 N ATOM 0 H ASN A 46 -22.311 -1.076 7.275 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.151 1.659 7.663 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.551 1.512 9.592 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -22.752 0.236 9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.757 -0.628 8.935 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.374 1.019 8.775 1.00 0.00 H new ATOM 668 N GLY A 47 -20.723 1.259 5.779 1.00 0.00 N ATOM 669 CA GLY A 47 -19.633 1.910 5.081 1.00 0.00 C ATOM 670 C GLY A 47 -18.834 0.966 4.215 1.00 0.00 C ATOM 671 O GLY A 47 -19.363 0.026 3.629 1.00 0.00 O ATOM 0 H GLY A 47 -21.117 0.446 5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.034 2.711 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.969 2.374 5.810 1.00 0.00 H new ATOM 675 N PHE A 48 -17.553 1.240 4.137 1.00 0.00 N ATOM 676 CA PHE A 48 -16.629 0.446 3.350 1.00 0.00 C ATOM 677 C PHE A 48 -15.437 0.029 4.199 1.00 0.00 C ATOM 678 O PHE A 48 -14.852 0.855 4.901 1.00 0.00 O ATOM 679 CB PHE A 48 -16.127 1.258 2.163 1.00 0.00 C ATOM 680 CG PHE A 48 -17.089 1.363 1.020 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.078 0.424 0.005 1.00 0.00 C ATOM 682 CD2 PHE A 48 -17.992 2.410 0.951 1.00 0.00 C ATOM 683 CE1 PHE A 48 -17.952 0.521 -1.057 1.00 0.00 C ATOM 684 CE2 PHE A 48 -18.870 2.515 -0.111 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.848 1.566 -1.117 1.00 0.00 C ATOM 0 H PHE A 48 -17.116 2.025 4.620 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.153 -0.442 2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.882 2.263 2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.202 0.811 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -16.376 -0.396 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -18.011 3.152 1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -17.934 -0.221 -1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -19.571 3.335 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.532 1.644 -1.949 1.00 0.00 H new ATOM 695 N SER A 49 -15.064 -1.241 4.114 1.00 0.00 N ATOM 696 CA SER A 49 -13.920 -1.740 4.856 1.00 0.00 C ATOM 697 C SER A 49 -12.823 -2.137 3.891 1.00 0.00 C ATOM 698 O SER A 49 -13.033 -2.936 2.979 1.00 0.00 O ATOM 699 CB SER A 49 -14.295 -2.923 5.741 1.00 0.00 C ATOM 700 OG SER A 49 -15.655 -3.285 5.573 1.00 0.00 O ATOM 0 H SER A 49 -15.536 -1.940 3.540 1.00 0.00 H new ATOM 0 HA SER A 49 -13.565 -0.942 5.508 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.658 -3.775 5.501 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.111 -2.671 6.785 1.00 0.00 H new ATOM 0 HG SER A 49 -15.865 -4.047 6.152 1.00 0.00 H new ATOM 706 N VAL A 50 -11.660 -1.562 4.091 1.00 0.00 N ATOM 707 CA VAL A 50 -10.521 -1.834 3.228 1.00 0.00 C ATOM 708 C VAL A 50 -9.291 -2.214 4.042 1.00 0.00 C ATOM 709 O VAL A 50 -8.901 -1.496 4.962 1.00 0.00 O ATOM 710 CB VAL A 50 -10.177 -0.617 2.341 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.724 -1.076 0.963 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.363 0.332 2.227 1.00 0.00 C ATOM 0 H VAL A 50 -11.472 -0.900 4.844 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.806 -2.670 2.590 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.358 -0.074 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.485 -0.207 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.839 -1.704 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.523 -1.646 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.092 1.179 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.209 -0.194 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.638 0.691 3.219 1.00 0.00 H new ATOM 716 N GLU A 51 -8.680 -3.340 3.690 1.00 0.00 N ATOM 717 CA GLU A 51 -7.486 -3.811 4.379 1.00 0.00 C ATOM 718 C GLU A 51 -6.380 -4.089 3.372 1.00 0.00 C ATOM 719 O GLU A 51 -6.578 -4.804 2.392 1.00 0.00 O ATOM 720 CB GLU A 51 -7.802 -5.070 5.194 1.00 0.00 C ATOM 721 CG GLU A 51 -6.571 -5.825 5.685 1.00 0.00 C ATOM 722 CD GLU A 51 -6.542 -5.979 7.195 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.612 -6.240 7.785 1.00 0.00 O ATOM 724 OE2 GLU A 51 -5.451 -5.838 7.784 1.00 0.00 O ATOM 0 H GLU A 51 -8.993 -3.944 2.930 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.146 -3.036 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.409 -4.789 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.406 -5.741 4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.547 -6.812 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.673 -5.299 5.360 1.00 0.00 H new ATOM 731 N ALA A 52 -5.218 -3.505 3.617 1.00 0.00 N ATOM 732 CA ALA A 52 -4.075 -3.673 2.728 1.00 0.00 C ATOM 733 C ALA A 52 -2.995 -4.539 3.364 1.00 0.00 C ATOM 734 O ALA A 52 -2.903 -4.637 4.587 1.00 0.00 O ATOM 735 CB ALA A 52 -3.506 -2.316 2.344 1.00 0.00 C ATOM 0 H ALA A 52 -5.039 -2.909 4.425 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.422 -4.182 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.653 -2.454 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.272 -1.731 1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.185 -1.789 3.242 1.00 0.00 H new ATOM 741 N SER A 53 -2.177 -5.162 2.518 1.00 0.00 N ATOM 742 CA SER A 53 -1.094 -6.020 2.982 1.00 0.00 C ATOM 743 C SER A 53 0.046 -6.052 1.964 1.00 0.00 C ATOM 744 O SER A 53 -0.077 -6.663 0.904 1.00 0.00 O ATOM 745 CB SER A 53 -1.605 -7.439 3.230 1.00 0.00 C ATOM 746 OG SER A 53 -2.327 -7.926 2.112 1.00 0.00 O ATOM 0 H SER A 53 -2.246 -5.087 1.503 1.00 0.00 H new ATOM 0 HA SER A 53 -0.716 -5.609 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.764 -8.100 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.245 -7.449 4.112 1.00 0.00 H new ATOM 0 HG SER A 53 -2.641 -8.836 2.296 1.00 0.00 H new ATOM 752 N ILE A 54 1.151 -5.387 2.290 1.00 0.00 N ATOM 753 CA ILE A 54 2.306 -5.338 1.396 1.00 0.00 C ATOM 754 C ILE A 54 3.582 -5.784 2.107 1.00 0.00 C ATOM 755 O ILE A 54 4.033 -5.144 3.055 1.00 0.00 O ATOM 756 CB ILE A 54 2.515 -3.920 0.832 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.202 -3.378 0.264 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.598 -3.932 -0.236 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.320 -1.985 -0.318 1.00 0.00 C ATOM 0 H ILE A 54 1.272 -4.876 3.164 1.00 0.00 H new ATOM 0 HA ILE A 54 2.097 -6.025 0.576 1.00 0.00 H new ATOM 0 HB ILE A 54 2.837 -3.264 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.844 -4.057 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.451 -3.370 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.735 -2.924 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.534 -4.284 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.302 -4.597 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.350 -1.667 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.648 -1.293 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.047 -1.990 -1.130 1.00 0.00 H new ATOM 763 N GLY A 55 4.162 -6.884 1.640 1.00 0.00 N ATOM 764 CA GLY A 55 5.371 -7.395 2.236 1.00 0.00 C ATOM 765 C GLY A 55 6.531 -6.441 2.127 1.00 0.00 C ATOM 766 O GLY A 55 6.666 -5.701 1.154 1.00 0.00 O ATOM 0 H GLY A 55 3.810 -7.430 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.186 -7.615 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.636 -8.337 1.756 1.00 0.00 H new ATOM 770 N THR A 56 7.373 -6.488 3.134 1.00 0.00 N ATOM 771 CA THR A 56 8.569 -5.654 3.195 1.00 0.00 C ATOM 772 C THR A 56 9.681 -6.381 3.942 1.00 0.00 C ATOM 773 O THR A 56 9.424 -7.018 4.963 1.00 0.00 O ATOM 774 CB THR A 56 8.306 -4.313 3.892 1.00 0.00 C ATOM 775 OG1 THR A 56 8.840 -4.317 5.210 1.00 0.00 O ATOM 776 CG2 THR A 56 6.842 -3.943 3.981 1.00 0.00 C ATOM 0 H THR A 56 7.255 -7.104 3.939 1.00 0.00 H new ATOM 0 HA THR A 56 8.867 -5.455 2.166 1.00 0.00 H new ATOM 0 HB THR A 56 8.801 -3.569 3.267 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.150 -4.611 5.841 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.739 -2.983 4.486 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.423 -3.871 2.977 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.307 -4.708 4.544 1.00 0.00 H new ATOM 781 N PRO A 57 10.938 -6.281 3.478 1.00 0.00 N ATOM 782 CA PRO A 57 12.056 -6.923 4.167 1.00 0.00 C ATOM 783 C PRO A 57 12.128 -6.496 5.631 1.00 0.00 C ATOM 784 O PRO A 57 12.794 -7.139 6.442 1.00 0.00 O ATOM 785 CB PRO A 57 13.292 -6.424 3.417 1.00 0.00 C ATOM 786 CG PRO A 57 12.795 -5.965 2.091 1.00 0.00 C ATOM 787 CD PRO A 57 11.373 -5.525 2.289 1.00 0.00 C ATOM 0 HA PRO A 57 11.962 -8.009 4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.777 -5.611 3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.031 -7.218 3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.404 -5.144 1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.852 -6.769 1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.305 -4.449 2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.757 -5.756 1.420 1.00 0.00 H new ATOM 795 N LEU A 58 11.445 -5.398 5.961 1.00 0.00 N ATOM 796 CA LEU A 58 11.443 -4.883 7.325 1.00 0.00 C ATOM 797 C LEU A 58 10.201 -5.341 8.091 1.00 0.00 C ATOM 798 O LEU A 58 10.094 -5.132 9.300 1.00 0.00 O ATOM 799 CB LEU A 58 11.526 -3.354 7.305 1.00 0.00 C ATOM 800 CG LEU A 58 12.914 -2.788 6.976 1.00 0.00 C ATOM 801 CD1 LEU A 58 12.971 -2.287 5.537 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.278 -1.671 7.943 1.00 0.00 C ATOM 0 H LEU A 58 10.889 -4.852 5.303 1.00 0.00 H new ATOM 0 HA LEU A 58 12.316 -5.282 7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.812 -2.975 6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.216 -2.975 8.279 1.00 0.00 H new ATOM 0 HG LEU A 58 13.642 -3.592 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.965 -1.891 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.759 -3.111 4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.230 -1.500 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.265 -1.282 7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.543 -0.870 7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.287 -2.060 8.961 1.00 0.00 H new ATOM 808 N GLY A 59 9.269 -5.974 7.382 1.00 0.00 N ATOM 809 CA GLY A 59 8.053 -6.461 8.006 1.00 0.00 C ATOM 810 C GLY A 59 6.835 -6.287 7.123 1.00 0.00 C ATOM 811 O GLY A 59 6.579 -5.198 6.610 1.00 0.00 O ATOM 0 H GLY A 59 9.337 -6.158 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.172 -7.517 8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.894 -5.932 8.946 1.00 0.00 H new ATOM 815 N ASN A 60 6.086 -7.369 6.945 1.00 0.00 N ATOM 816 CA ASN A 60 4.888 -7.351 6.115 1.00 0.00 C ATOM 817 C ASN A 60 3.956 -6.210 6.509 1.00 0.00 C ATOM 818 O ASN A 60 3.446 -6.173 7.629 1.00 0.00 O ATOM 819 CB ASN A 60 4.143 -8.677 6.241 1.00 0.00 C ATOM 820 CG ASN A 60 5.036 -9.873 5.982 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.230 -9.727 5.720 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.460 -11.069 6.052 1.00 0.00 N ATOM 0 H ASN A 60 6.289 -8.275 7.367 1.00 0.00 H new ATOM 0 HA ASN A 60 5.203 -7.200 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.716 -8.756 7.241 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.311 -8.690 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.011 -11.911 5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.467 -11.145 6.272 1.00 0.00 H new ATOM 827 N LEU A 61 3.721 -5.290 5.580 1.00 0.00 N ATOM 828 CA LEU A 61 2.831 -4.168 5.843 1.00 0.00 C ATOM 829 C LEU A 61 1.386 -4.637 5.832 1.00 0.00 C ATOM 830 O LEU A 61 1.000 -5.453 4.999 1.00 0.00 O ATOM 831 CB LEU A 61 2.993 -3.060 4.795 1.00 0.00 C ATOM 832 CG LEU A 61 4.275 -2.227 4.884 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.800 -1.913 3.489 1.00 0.00 C ATOM 834 CD2 LEU A 61 4.027 -0.936 5.655 1.00 0.00 C ATOM 0 H LEU A 61 4.131 -5.299 4.646 1.00 0.00 H new ATOM 0 HA LEU A 61 3.094 -3.767 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.948 -3.515 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.140 -2.386 4.875 1.00 0.00 H new ATOM 0 HG LEU A 61 5.025 -2.810 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.711 -1.320 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.016 -2.843 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.048 -1.350 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.951 -0.360 5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.261 -0.350 5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.691 -1.174 6.664 1.00 0.00 H new ATOM 840 N LEU A 62 0.590 -4.101 6.744 1.00 0.00 N ATOM 841 CA LEU A 62 -0.817 -4.446 6.826 1.00 0.00 C ATOM 842 C LEU A 62 -1.612 -3.268 7.352 1.00 0.00 C ATOM 843 O LEU A 62 -1.113 -2.468 8.142 1.00 0.00 O ATOM 844 CB LEU A 62 -1.039 -5.662 7.722 1.00 0.00 C ATOM 845 CG LEU A 62 -0.076 -6.827 7.489 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.175 -7.836 8.622 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.368 -7.490 6.152 1.00 0.00 C ATOM 0 H LEU A 62 0.898 -3.422 7.440 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.160 -4.696 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.957 -5.347 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.058 -6.019 7.576 1.00 0.00 H new ATOM 0 HG LEU A 62 0.942 -6.439 7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.517 -8.658 8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.079 -7.351 9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.192 -8.224 8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.324 -8.318 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.391 -7.867 6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.247 -6.761 5.350 1.00 0.00 H new ATOM 853 N ALA A 63 -2.849 -3.167 6.908 1.00 0.00 N ATOM 854 CA ALA A 63 -3.722 -2.081 7.332 1.00 0.00 C ATOM 855 C ALA A 63 -5.183 -2.439 7.113 1.00 0.00 C ATOM 856 O ALA A 63 -5.502 -3.350 6.351 1.00 0.00 O ATOM 857 CB ALA A 63 -3.374 -0.801 6.587 1.00 0.00 C ATOM 0 H ALA A 63 -3.276 -3.822 6.253 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.569 -1.920 8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.035 0.002 6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.340 -0.528 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.498 -0.959 5.516 1.00 0.00 H new ATOM 863 N SER A 64 -6.066 -1.710 7.786 1.00 0.00 N ATOM 864 CA SER A 64 -7.498 -1.943 7.667 1.00 0.00 C ATOM 865 C SER A 64 -8.281 -0.735 8.168 1.00 0.00 C ATOM 866 O SER A 64 -7.993 -0.197 9.237 1.00 0.00 O ATOM 867 CB SER A 64 -7.905 -3.193 8.450 1.00 0.00 C ATOM 868 OG SER A 64 -6.965 -3.486 9.469 1.00 0.00 O ATOM 0 H SER A 64 -5.814 -0.952 8.420 1.00 0.00 H new ATOM 0 HA SER A 64 -7.731 -2.098 6.614 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.890 -3.044 8.892 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.985 -4.041 7.770 1.00 0.00 H new ATOM 0 HG SER A 64 -6.304 -4.125 9.130 1.00 0.00 H new ATOM 874 N ALA A 65 -9.267 -0.308 7.387 1.00 0.00 N ATOM 875 CA ALA A 65 -10.080 0.843 7.758 1.00 0.00 C ATOM 876 C ALA A 65 -11.527 0.673 7.311 1.00 0.00 C ATOM 877 O ALA A 65 -11.799 0.134 6.237 1.00 0.00 O ATOM 878 CB ALA A 65 -9.492 2.115 7.167 1.00 0.00 C ATOM 0 H ALA A 65 -9.521 -0.739 6.498 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.074 0.919 8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.109 2.967 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.480 2.257 7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.466 2.033 6.080 1.00 0.00 H new ATOM 884 N THR A 66 -12.451 1.145 8.144 1.00 0.00 N ATOM 885 CA THR A 66 -13.876 1.060 7.848 1.00 0.00 C ATOM 886 C THR A 66 -14.513 2.444 7.903 1.00 0.00 C ATOM 887 O THR A 66 -14.414 3.137 8.916 1.00 0.00 O ATOM 888 CB THR A 66 -14.570 0.129 8.844 1.00 0.00 C ATOM 889 OG1 THR A 66 -13.982 -1.159 8.824 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.051 -0.036 8.578 1.00 0.00 C ATOM 0 H THR A 66 -12.235 1.593 9.035 1.00 0.00 H new ATOM 0 HA THR A 66 -13.996 0.656 6.843 1.00 0.00 H new ATOM 0 HB THR A 66 -14.443 0.603 9.817 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.440 -1.738 9.469 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.481 -0.708 9.320 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.542 0.935 8.640 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.197 -0.454 7.582 1.00 0.00 H new ATOM 895 N SER A 67 -15.162 2.851 6.815 1.00 0.00 N ATOM 896 CA SER A 67 -15.799 4.160 6.767 1.00 0.00 C ATOM 897 C SER A 67 -16.768 4.252 5.598 1.00 0.00 C ATOM 898 O SER A 67 -16.660 3.506 4.628 1.00 0.00 O ATOM 899 CB SER A 67 -14.742 5.255 6.643 1.00 0.00 C ATOM 900 OG SER A 67 -14.731 6.090 7.788 1.00 0.00 O ATOM 0 H SER A 67 -15.259 2.298 5.963 1.00 0.00 H new ATOM 0 HA SER A 67 -16.357 4.297 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.759 4.802 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.939 5.855 5.754 1.00 0.00 H new ATOM 0 HG SER A 67 -14.044 6.781 7.682 1.00 0.00 H new ATOM 906 N ASP A 68 -17.703 5.188 5.688 1.00 0.00 N ATOM 907 CA ASP A 68 -18.682 5.389 4.632 1.00 0.00 C ATOM 908 C ASP A 68 -18.055 6.084 3.423 1.00 0.00 C ATOM 909 O ASP A 68 -18.742 6.370 2.443 1.00 0.00 O ATOM 910 CB ASP A 68 -19.856 6.217 5.157 1.00 0.00 C ATOM 911 CG ASP A 68 -19.405 7.479 5.865 1.00 0.00 C ATOM 912 OD1 ASP A 68 -19.141 8.485 5.173 1.00 0.00 O ATOM 913 OD2 ASP A 68 -19.316 7.462 7.111 1.00 0.00 O ATOM 0 H ASP A 68 -17.803 5.820 6.483 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.042 4.411 4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.509 6.484 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.446 5.610 5.844 1.00 0.00 H new ATOM 918 N ASP A 69 -16.751 6.358 3.493 1.00 0.00 N ATOM 919 CA ASP A 69 -16.060 7.022 2.397 1.00 0.00 C ATOM 920 C ASP A 69 -14.990 6.116 1.787 1.00 0.00 C ATOM 921 O ASP A 69 -13.886 5.980 2.313 1.00 0.00 O ATOM 922 CB ASP A 69 -15.445 8.333 2.884 1.00 0.00 C ATOM 923 CG ASP A 69 -14.832 9.142 1.757 1.00 0.00 C ATOM 924 OD1 ASP A 69 -14.609 8.572 0.669 1.00 0.00 O ATOM 925 OD2 ASP A 69 -14.578 10.348 1.963 1.00 0.00 O ATOM 0 H ASP A 69 -16.160 6.131 4.293 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.788 7.243 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.212 8.929 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.680 8.117 3.629 1.00 0.00 H new ATOM 930 N MET A 70 -15.355 5.494 0.673 1.00 0.00 N ATOM 931 CA MET A 70 -14.493 4.573 -0.062 1.00 0.00 C ATOM 932 C MET A 70 -13.027 5.014 -0.129 1.00 0.00 C ATOM 933 O MET A 70 -12.148 4.395 0.480 1.00 0.00 O ATOM 934 CB MET A 70 -15.053 4.439 -1.486 1.00 0.00 C ATOM 935 CG MET A 70 -14.097 3.825 -2.498 1.00 0.00 C ATOM 936 SD MET A 70 -14.728 2.295 -3.206 1.00 0.00 S ATOM 937 CE MET A 70 -13.650 1.119 -2.402 1.00 0.00 C ATOM 0 H MET A 70 -16.273 5.616 0.247 1.00 0.00 H new ATOM 0 HA MET A 70 -14.495 3.623 0.472 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.958 3.832 -1.449 1.00 0.00 H new ATOM 0 HB3 MET A 70 -15.347 5.427 -1.839 1.00 0.00 H new ATOM 0 HG2 MET A 70 -13.911 4.542 -3.298 1.00 0.00 H new ATOM 0 HG3 MET A 70 -13.139 3.630 -2.016 1.00 0.00 H new ATOM 0 HE1 MET A 70 -13.927 0.108 -2.701 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.618 1.314 -2.693 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.747 1.217 -1.321 1.00 0.00 H new ATOM 947 N TYR A 71 -12.768 6.048 -0.915 1.00 0.00 N ATOM 948 CA TYR A 71 -11.406 6.522 -1.115 1.00 0.00 C ATOM 949 C TYR A 71 -10.792 7.100 0.143 1.00 0.00 C ATOM 950 O TYR A 71 -9.573 7.114 0.273 1.00 0.00 O ATOM 951 CB TYR A 71 -11.343 7.493 -2.292 1.00 0.00 C ATOM 952 CG TYR A 71 -11.141 6.759 -3.603 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.465 5.408 -3.708 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.619 7.393 -4.722 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.280 4.713 -4.879 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.430 6.702 -5.906 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.760 5.362 -5.980 1.00 0.00 C ATOM 958 OH TYR A 71 -10.575 4.676 -7.159 1.00 0.00 O ATOM 0 H TYR A 71 -13.479 6.573 -1.423 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.793 5.655 -1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.264 8.074 -2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.528 8.200 -2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.871 4.895 -2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.357 8.439 -4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.540 3.666 -4.937 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.026 7.209 -6.770 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.202 5.280 -7.834 1.00 0.00 H new ATOM 968 N LYS A 72 -11.620 7.517 1.090 1.00 0.00 N ATOM 969 CA LYS A 72 -11.100 8.021 2.351 1.00 0.00 C ATOM 970 C LYS A 72 -10.665 6.832 3.197 1.00 0.00 C ATOM 971 O LYS A 72 -9.643 6.873 3.873 1.00 0.00 O ATOM 972 CB LYS A 72 -12.131 8.826 3.090 1.00 0.00 C ATOM 973 CG LYS A 72 -11.595 9.520 4.332 1.00 0.00 C ATOM 974 CD LYS A 72 -12.544 9.369 5.511 1.00 0.00 C ATOM 975 CE LYS A 72 -12.092 10.198 6.703 1.00 0.00 C ATOM 976 NZ LYS A 72 -12.062 9.397 7.958 1.00 0.00 N ATOM 0 H LYS A 72 -12.637 7.517 1.012 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.255 8.680 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.544 9.576 2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.952 8.170 3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.622 9.103 4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.442 10.578 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.547 9.675 5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.604 8.319 5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.099 10.604 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.764 11.047 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.749 9.999 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.014 9.031 8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.402 8.601 7.846 1.00 0.00 H new ATOM 990 N ALA A 73 -11.439 5.745 3.108 1.00 0.00 N ATOM 991 CA ALA A 73 -11.106 4.518 3.818 1.00 0.00 C ATOM 992 C ALA A 73 -9.783 4.034 3.265 1.00 0.00 C ATOM 993 O ALA A 73 -8.838 3.747 4.005 1.00 0.00 O ATOM 994 CB ALA A 73 -12.195 3.469 3.634 1.00 0.00 C ATOM 0 H ALA A 73 -12.294 5.695 2.554 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.030 4.701 4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.922 2.562 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.139 3.852 4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.305 3.241 2.574 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.707 4.033 1.935 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.482 3.684 1.242 1.00 0.00 C ATOM 1002 C ILE A 74 -7.432 4.708 1.651 1.00 0.00 C ATOM 1003 O ILE A 74 -6.267 4.387 1.899 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.705 3.702 -0.290 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.255 2.357 -0.748 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.430 4.040 -1.053 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.603 2.450 -1.418 1.00 0.00 C ATOM 0 H ILE A 74 -10.485 4.272 1.320 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.156 2.678 1.506 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.428 4.487 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.546 1.901 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.332 1.694 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.636 4.041 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.076 5.026 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.665 3.296 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.930 1.454 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.326 2.876 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.528 3.087 -2.299 1.00 0.00 H new ATOM 1011 N ASN A 75 -7.906 5.947 1.765 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.102 7.069 2.193 1.00 0.00 C ATOM 1013 C ASN A 75 -6.508 6.774 3.564 1.00 0.00 C ATOM 1014 O ASN A 75 -5.343 7.070 3.833 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.004 8.303 2.231 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.285 9.564 1.838 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.514 10.131 2.612 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.541 10.006 0.618 1.00 0.00 N ATOM 0 H ASN A 75 -8.874 6.194 1.558 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.275 7.247 1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.850 8.149 1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.410 8.420 3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.090 10.856 0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.189 9.497 0.017 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.324 6.161 4.415 1.00 0.00 N ATOM 1024 CA GLU A 76 -6.904 5.782 5.756 1.00 0.00 C ATOM 1025 C GLU A 76 -5.883 4.648 5.688 1.00 0.00 C ATOM 1026 O GLU A 76 -4.778 4.755 6.231 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.121 5.354 6.582 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.281 6.133 7.878 1.00 0.00 C ATOM 1029 CD GLU A 76 -8.665 5.248 9.047 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -7.829 4.418 9.463 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -9.802 5.384 9.548 1.00 0.00 O ATOM 0 H GLU A 76 -8.289 5.915 4.195 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.436 6.641 6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.021 5.479 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.037 4.292 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.347 6.646 8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.042 6.902 7.744 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.251 3.561 5.002 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.357 2.417 4.848 1.00 0.00 C ATOM 1040 C VAL A 77 -3.990 2.879 4.385 1.00 0.00 C ATOM 1041 O VAL A 77 -2.968 2.517 4.966 1.00 0.00 O ATOM 1042 CB VAL A 77 -5.890 1.397 3.827 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.165 0.068 3.972 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.384 1.217 3.986 1.00 0.00 C ATOM 0 H VAL A 77 -7.158 3.453 4.548 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.293 1.936 5.824 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.700 1.780 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.555 -0.641 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.099 0.215 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.321 -0.324 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.743 0.492 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.602 0.857 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.885 2.172 3.826 1.00 0.00 H new ATOM 1048 N GLU A 78 -3.982 3.693 3.335 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.738 4.215 2.799 1.00 0.00 C ATOM 1050 C GLU A 78 -1.965 4.941 3.892 1.00 0.00 C ATOM 1051 O GLU A 78 -0.734 4.916 3.921 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.015 5.158 1.623 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.778 5.880 1.109 1.00 0.00 C ATOM 1054 CD GLU A 78 -2.079 6.785 -0.068 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -3.258 7.151 -0.250 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -1.134 7.128 -0.810 1.00 0.00 O ATOM 0 H GLU A 78 -4.820 4.002 2.843 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.135 3.383 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.455 4.586 0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.755 5.898 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.345 6.471 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.029 5.145 0.815 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.700 5.570 4.801 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.090 6.284 5.910 1.00 0.00 C ATOM 1065 C GLU A 79 -1.452 5.296 6.874 1.00 0.00 C ATOM 1066 O GLU A 79 -0.321 5.491 7.322 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.130 7.140 6.637 1.00 0.00 C ATOM 1068 CG GLU A 79 -2.841 8.632 6.575 1.00 0.00 C ATOM 1069 CD GLU A 79 -3.398 9.383 7.768 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -2.937 9.126 8.899 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -4.297 10.227 7.570 1.00 0.00 O ATOM 0 H GLU A 79 -3.720 5.599 4.790 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.318 6.945 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.112 6.950 6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.177 6.831 7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.763 8.788 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.267 9.043 5.660 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.174 4.218 7.175 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.652 3.194 8.072 1.00 0.00 C ATOM 1080 C LYS A 80 -0.489 2.466 7.406 1.00 0.00 C ATOM 1081 O LYS A 80 0.550 2.231 8.025 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.753 2.202 8.463 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.034 2.168 9.955 1.00 0.00 C ATOM 1084 CD LYS A 80 -3.366 0.762 10.429 1.00 0.00 C ATOM 1085 CE LYS A 80 -3.510 0.704 11.941 1.00 0.00 C ATOM 1086 NZ LYS A 80 -4.068 -0.600 12.397 1.00 0.00 N ATOM 0 H LYS A 80 -3.110 4.034 6.815 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.294 3.676 8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.670 2.462 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.466 1.204 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.165 2.540 10.498 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.864 2.836 10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.292 0.428 9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.582 0.075 10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.537 0.864 12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.159 1.513 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.150 -0.599 13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.008 -0.742 11.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.436 -1.371 12.101 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.670 2.127 6.131 1.00 0.00 N ATOM 1101 CA LEU A 81 0.366 1.440 5.371 1.00 0.00 C ATOM 1102 C LEU A 81 1.608 2.321 5.251 1.00 0.00 C ATOM 1103 O LEU A 81 2.731 1.852 5.446 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.158 1.044 3.979 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.137 -0.456 3.663 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.245 -0.879 3.190 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.565 -1.278 4.873 1.00 0.00 C ATOM 0 H LEU A 81 -1.523 2.317 5.606 1.00 0.00 H new ATOM 0 HA LEU A 81 0.641 0.529 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.183 1.403 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.435 1.564 3.226 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.852 -0.643 2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.243 -1.947 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.507 -0.323 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.976 -0.671 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.541 -2.338 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.117 -1.087 5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.577 -0.998 5.164 1.00 0.00 H new ATOM 1113 N GLU A 82 1.406 3.606 4.952 1.00 0.00 N ATOM 1114 CA GLU A 82 2.523 4.535 4.836 1.00 0.00 C ATOM 1115 C GLU A 82 3.178 4.732 6.195 1.00 0.00 C ATOM 1116 O GLU A 82 4.374 4.482 6.368 1.00 0.00 O ATOM 1117 CB GLU A 82 2.052 5.878 4.289 1.00 0.00 C ATOM 1118 CG GLU A 82 3.190 6.826 3.951 1.00 0.00 C ATOM 1119 CD GLU A 82 3.442 7.844 5.046 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.796 8.912 5.023 1.00 0.00 O ATOM 1121 OE2 GLU A 82 4.286 7.574 5.926 1.00 0.00 O ATOM 0 H GLU A 82 0.488 4.020 4.788 1.00 0.00 H new ATOM 0 HA GLU A 82 3.251 4.114 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.454 5.707 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.400 6.352 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.099 6.250 3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.961 7.347 3.021 1.00 0.00 H new ATOM 1128 N ARG A 83 2.379 5.166 7.167 1.00 0.00 N ATOM 1129 CA ARG A 83 2.874 5.375 8.523 1.00 0.00 C ATOM 1130 C ARG A 83 3.673 4.157 8.966 1.00 0.00 C ATOM 1131 O ARG A 83 4.781 4.275 9.499 1.00 0.00 O ATOM 1132 CB ARG A 83 1.713 5.624 9.488 1.00 0.00 C ATOM 1133 CG ARG A 83 1.219 7.063 9.488 1.00 0.00 C ATOM 1134 CD ARG A 83 1.003 7.581 10.902 1.00 0.00 C ATOM 1135 NE ARG A 83 0.104 6.722 11.668 1.00 0.00 N ATOM 1136 CZ ARG A 83 -1.221 6.741 11.549 1.00 0.00 C ATOM 1137 NH1 ARG A 83 -1.805 7.574 10.697 1.00 0.00 N ATOM 1138 NH2 ARG A 83 -1.965 5.926 12.284 1.00 0.00 N ATOM 0 H ARG A 83 1.390 5.379 7.040 1.00 0.00 H new ATOM 0 HA ARG A 83 3.519 6.253 8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.886 4.965 9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.026 5.356 10.497 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.942 7.697 8.974 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.285 7.128 8.930 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.963 7.649 11.414 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.592 8.590 10.860 1.00 0.00 H new ATOM 0 HE ARG A 83 0.516 6.069 12.334 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.238 8.204 10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.821 7.585 10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.522 5.284 12.941 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.981 5.941 12.192 1.00 0.00 H new ATOM 1152 N GLN A 84 3.113 2.978 8.706 1.00 0.00 N ATOM 1153 CA GLN A 84 3.782 1.734 9.042 1.00 0.00 C ATOM 1154 C GLN A 84 5.082 1.634 8.255 1.00 0.00 C ATOM 1155 O GLN A 84 6.131 1.314 8.812 1.00 0.00 O ATOM 1156 CB GLN A 84 2.877 0.540 8.743 1.00 0.00 C ATOM 1157 CG GLN A 84 1.772 0.350 9.765 1.00 0.00 C ATOM 1158 CD GLN A 84 0.740 -0.667 9.327 1.00 0.00 C ATOM 1159 OE1 GLN A 84 -0.485 -0.207 9.102 1.00 0.00 O flip ATOM 1160 NE2 GLN A 84 1.039 -1.854 9.190 1.00 0.00 N flip ATOM 0 H GLN A 84 2.200 2.863 8.265 1.00 0.00 H new ATOM 0 HA GLN A 84 4.007 1.723 10.108 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.431 0.670 7.757 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.483 -0.365 8.702 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.209 0.033 10.712 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.280 1.306 9.945 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.993 -2.164 9.374 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.332 -2.527 8.893 1.00 0.00 H new ATOM 1167 N LEU A 85 5.015 1.957 6.959 1.00 0.00 N ATOM 1168 CA LEU A 85 6.203 1.946 6.107 1.00 0.00 C ATOM 1169 C LEU A 85 7.307 2.732 6.799 1.00 0.00 C ATOM 1170 O LEU A 85 8.440 2.261 6.946 1.00 0.00 O ATOM 1171 CB LEU A 85 5.895 2.575 4.743 1.00 0.00 C ATOM 1172 CG LEU A 85 5.851 1.607 3.557 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.765 2.030 2.574 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.210 1.541 2.862 1.00 0.00 C ATOM 0 H LEU A 85 4.155 2.227 6.482 1.00 0.00 H new ATOM 0 HA LEU A 85 6.520 0.916 5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.933 3.084 4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.646 3.337 4.538 1.00 0.00 H new ATOM 0 HG LEU A 85 5.614 0.611 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.743 1.335 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.797 2.024 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.977 3.034 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.156 0.848 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.481 2.532 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.964 1.196 3.570 1.00 0.00 H new ATOM 1180 N ASN A 86 6.946 3.932 7.249 1.00 0.00 N ATOM 1181 CA ASN A 86 7.877 4.792 7.959 1.00 0.00 C ATOM 1182 C ASN A 86 8.347 4.096 9.227 1.00 0.00 C ATOM 1183 O ASN A 86 9.520 4.159 9.582 1.00 0.00 O ATOM 1184 CB ASN A 86 7.217 6.132 8.299 1.00 0.00 C ATOM 1185 CG ASN A 86 8.213 7.275 8.332 1.00 0.00 C ATOM 1186 OD1 ASN A 86 9.274 7.208 7.710 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.877 8.333 9.060 1.00 0.00 N ATOM 0 H ASN A 86 6.013 4.327 7.132 1.00 0.00 H new ATOM 0 HA ASN A 86 8.737 4.989 7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.443 6.350 7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.724 6.055 9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.508 9.132 9.120 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.988 8.347 9.560 1.00 0.00 H new ATOM 1192 N LYS A 87 7.426 3.402 9.891 1.00 0.00 N ATOM 1193 CA LYS A 87 7.764 2.667 11.103 1.00 0.00 C ATOM 1194 C LYS A 87 8.818 1.617 10.792 1.00 0.00 C ATOM 1195 O LYS A 87 9.838 1.527 11.471 1.00 0.00 O ATOM 1196 CB LYS A 87 6.527 1.986 11.687 1.00 0.00 C ATOM 1197 CG LYS A 87 6.223 2.397 13.118 1.00 0.00 C ATOM 1198 CD LYS A 87 4.734 2.322 13.414 1.00 0.00 C ATOM 1199 CE LYS A 87 4.335 3.293 14.513 1.00 0.00 C ATOM 1200 NZ LYS A 87 3.804 4.570 13.959 1.00 0.00 N ATOM 0 H LYS A 87 6.447 3.334 9.612 1.00 0.00 H new ATOM 0 HA LYS A 87 8.153 3.374 11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.666 2.218 11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.666 0.906 11.650 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.765 1.749 13.807 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.579 3.413 13.289 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.170 2.545 12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.472 1.307 13.711 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.580 2.831 15.149 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.199 3.502 15.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.543 5.205 14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.533 5.024 13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.965 4.374 13.377 1.00 0.00 H new ATOM 1214 N LEU A 88 8.568 0.826 9.753 1.00 0.00 N ATOM 1215 CA LEU A 88 9.508 -0.210 9.353 1.00 0.00 C ATOM 1216 C LEU A 88 10.858 0.413 9.047 1.00 0.00 C ATOM 1217 O LEU A 88 11.887 0.012 9.591 1.00 0.00 O ATOM 1218 CB LEU A 88 9.004 -0.960 8.116 1.00 0.00 C ATOM 1219 CG LEU A 88 7.566 -1.467 8.192 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.223 -2.285 6.957 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.365 -2.292 9.448 1.00 0.00 C ATOM 0 H LEU A 88 7.728 0.883 9.178 1.00 0.00 H new ATOM 0 HA LEU A 88 9.604 -0.919 10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.093 -0.301 7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.661 -1.811 7.936 1.00 0.00 H new ATOM 0 HG LEU A 88 6.897 -0.607 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.194 -2.638 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.333 -1.664 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.896 -3.140 6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.335 -2.647 9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.043 -3.145 9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.572 -1.677 10.324 1.00 0.00 H new ATOM 1227 N GLN A 89 10.834 1.408 8.171 1.00 0.00 N ATOM 1228 CA GLN A 89 12.049 2.114 7.779 1.00 0.00 C ATOM 1229 C GLN A 89 12.675 2.819 8.980 1.00 0.00 C ATOM 1230 O GLN A 89 13.888 3.027 9.030 1.00 0.00 O ATOM 1231 CB GLN A 89 11.743 3.132 6.678 1.00 0.00 C ATOM 1232 CG GLN A 89 11.220 2.508 5.394 1.00 0.00 C ATOM 1233 CD GLN A 89 11.074 3.516 4.282 1.00 0.00 C ATOM 1234 OE1 GLN A 89 10.673 3.039 3.115 1.00 0.00 O flip ATOM 1235 NE2 GLN A 89 11.319 4.707 4.469 1.00 0.00 N flip ATOM 0 H GLN A 89 9.986 1.746 7.717 1.00 0.00 H new ATOM 0 HA GLN A 89 12.759 1.381 7.396 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.008 3.846 7.050 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.649 3.695 6.455 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.898 1.716 5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.254 2.042 5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.626 5.026 5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.215 5.375 3.705 1.00 0.00 H new ATOM 1242 N HIS A 90 11.836 3.182 9.946 1.00 0.00 N ATOM 1243 CA HIS A 90 12.292 3.863 11.154 1.00 0.00 C ATOM 1244 C HIS A 90 12.880 2.876 12.147 1.00 0.00 C ATOM 1245 O HIS A 90 14.052 2.963 12.514 1.00 0.00 O ATOM 1246 CB HIS A 90 11.123 4.591 11.818 1.00 0.00 C ATOM 1247 CG HIS A 90 10.814 5.927 11.211 1.00 0.00 C ATOM 1248 ND1 HIS A 90 10.289 6.976 11.937 1.00 0.00 N ATOM 1249 CD2 HIS A 90 10.961 6.386 9.943 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.128 8.021 11.144 1.00 0.00 C ATOM 1251 NE2 HIS A 90 10.528 7.689 9.932 1.00 0.00 N ATOM 0 H HIS A 90 10.830 3.015 9.915 1.00 0.00 H new ATOM 0 HA HIS A 90 13.062 4.578 10.863 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.235 3.962 11.758 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.347 4.727 12.876 1.00 0.00 H new ATOM 0 HD2 HIS A 90 11.346 5.831 9.100 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.736 8.983 11.438 1.00 0.00 H new ATOM 0 HE2 HIS A 90 10.517 8.302 9.117 1.00 0.00 H new