USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 938 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 82 ASN :FLIP amide:sc= -0.0902 F(o=-2.6,f=-1.6) USER MOD Set 1.2: A 115 ASN : amide:sc= -0.666 K(o=-1.6,f=-9.6!) USER MOD Set 1.3: A 117 SER OG : rot 180:sc= -0.234 USER MOD Set 1.4: A 118 GLN :FLIP amide:sc= -0.632 F(o=-3.5,f=-1.6) USER MOD Set 2.1: A 75 MET CE :methyl -163:sc= -3.01! (180deg=-3.18) USER MOD Set 2.2: A 110 ASN :FLIP amide:sc= -1.81! F(o=-7,f=-4.8!) USER MOD Set 3.1: A 63 GLN : amide:sc= -0.21 K(o=0.087,f=-4.6!) USER MOD Set 3.2: A 66 LYS NZ :NH3+ 171:sc= 0.297 (180deg=0) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -2.77! C(o=-2.6!,f=-20!) USER MOD Set 4.2: A 90 THR OG1 : rot 114:sc= -1.86! USER MOD Set 4.3: A 92 SER OG : rot -155:sc= 0.94! USER MOD Set 4.4: A 105 THR OG1 : rot 151:sc= 1.08 USER MOD Set 5.1: A 3 MET CE :methyl 143:sc= -0.101 (180deg=-0.583) USER MOD Set 5.2: A 5 ASN :FLIP amide:sc= -6.95! C(o=-9.6!,f=-7!) USER MOD Set 5.3: A 36 GLN : amide:sc= 0 K(o=-7,f=-7.7) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0751 (180deg=0) USER MOD Single : A 7 CYS SG : rot 46:sc= -0.141 USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -136:sc= -2.61! USER MOD Single : A 17 ASN : amide:sc= -5.65! C(o=-5.7!,f=-12!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-2.4!) USER MOD Single : A 29 CYS SG : rot 74:sc= -3.13 USER MOD Single : A 32 THR OG1 : rot 69:sc= 0.74 USER MOD Single : A 35 TYR OH : rot -30:sc= -0.441 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= -0.312 (180deg=-1.21!) USER MOD Single : A 44 ASN : amide:sc= -3.98! C(o=-4!,f=-6.7!) USER MOD Single : A 49 CYS SG : rot -53:sc= -2.66! USER MOD Single : A 50 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-4.1) USER MOD Single : A 54 GLN : amide:sc= -2.62! C(o=-2.6!,f=-3.8!) USER MOD Single : A 55 GLN : amide:sc= 0.0284 X(o=0.028,f=-0.11) USER MOD Single : A 60 SER OG : rot 77:sc= -6.61! USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.297 F(o=-1.3,f=-0.3) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -1.67! USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= -0.0154 (180deg=-0.179) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.599 F(o=-1.6,f=-0.6) USER MOD Single : A 88 MET CE :methyl 141:sc= -9.15! (180deg=-11.3!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.041 F(o=-1.8!,f=-0.041) USER MOD Single : A 94 THR OG1 : rot 4:sc= 0.612 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0737 F(o=-1.6!,f=-0.074) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.63 F(o=-2.1,f=-1.6) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 41:sc= 1.05 USER MOD Single : A 109 THR OG1 : rot -139:sc= -0.593 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 112 ASN : amide:sc= -1.98 K(o=-2,f=-3.8!) USER MOD Single : A 114 LYS NZ :NH3+ 169:sc= -0.0267 (180deg=-0.199) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.203 -16.020 -8.878 1.00 0.00 N ATOM 2 CA GLY A 1 -18.933 -14.972 -8.111 1.00 0.00 C ATOM 3 C GLY A 1 -18.011 -13.886 -7.594 1.00 0.00 C ATOM 4 O GLY A 1 -16.835 -13.837 -7.954 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.607 -16.096 -9.833 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.198 -15.763 -8.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.294 -16.934 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.696 -14.524 -8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.451 -15.435 -7.271 1.00 0.00 H new ATOM 10 N ALA A 2 -18.548 -13.012 -6.748 1.00 0.00 N ATOM 11 CA ALA A 2 -17.767 -11.920 -6.179 1.00 0.00 C ATOM 12 C ALA A 2 -16.780 -12.438 -5.139 1.00 0.00 C ATOM 13 O ALA A 2 -16.950 -13.529 -4.598 1.00 0.00 O ATOM 14 CB ALA A 2 -18.689 -10.878 -5.562 1.00 0.00 C ATOM 0 H ALA A 2 -19.521 -13.039 -6.442 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.197 -11.454 -6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.093 -10.068 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.352 -10.479 -6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.283 -11.339 -4.773 1.00 0.00 H new ATOM 20 N MET A 3 -15.748 -11.645 -4.865 1.00 0.00 N ATOM 21 CA MET A 3 -14.730 -12.024 -3.891 1.00 0.00 C ATOM 22 C MET A 3 -14.516 -10.908 -2.870 1.00 0.00 C ATOM 23 O MET A 3 -13.802 -9.942 -3.132 1.00 0.00 O ATOM 24 CB MET A 3 -13.414 -12.348 -4.601 1.00 0.00 C ATOM 25 CG MET A 3 -12.331 -12.866 -3.671 1.00 0.00 C ATOM 26 SD MET A 3 -10.827 -13.334 -4.548 1.00 0.00 S ATOM 27 CE MET A 3 -10.352 -11.765 -5.270 1.00 0.00 C ATOM 0 H MET A 3 -15.595 -10.737 -5.303 1.00 0.00 H new ATOM 0 HA MET A 3 -15.075 -12.912 -3.362 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.602 -13.092 -5.375 1.00 0.00 H new ATOM 0 HB3 MET A 3 -13.051 -11.451 -5.103 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.093 -12.099 -2.934 1.00 0.00 H new ATOM 0 HG3 MET A 3 -12.710 -13.728 -3.123 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.266 -11.672 -5.256 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.707 -11.716 -6.299 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.794 -10.951 -4.695 1.00 0.00 H new ATOM 37 N ASP A 4 -15.143 -11.054 -1.706 1.00 0.00 N ATOM 38 CA ASP A 4 -15.030 -10.061 -0.643 1.00 0.00 C ATOM 39 C ASP A 4 -13.704 -10.199 0.101 1.00 0.00 C ATOM 40 O ASP A 4 -13.309 -9.307 0.850 1.00 0.00 O ATOM 41 CB ASP A 4 -16.196 -10.205 0.337 1.00 0.00 C ATOM 42 CG ASP A 4 -16.144 -9.183 1.456 1.00 0.00 C ATOM 43 OD1 ASP A 4 -16.654 -8.061 1.259 1.00 0.00 O ATOM 44 OD2 ASP A 4 -15.594 -9.506 2.530 1.00 0.00 O ATOM 0 H ASP A 4 -15.735 -11.852 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.063 -9.072 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.136 -10.099 -0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.185 -11.208 0.764 1.00 0.00 H new ATOM 49 N ASN A 5 -13.023 -11.320 -0.123 1.00 0.00 N ATOM 50 CA ASN A 5 -11.740 -11.593 0.519 1.00 0.00 C ATOM 51 C ASN A 5 -11.854 -11.591 2.045 1.00 0.00 C ATOM 52 O ASN A 5 -11.972 -12.649 2.664 1.00 0.00 O ATOM 53 CB ASN A 5 -10.692 -10.577 0.063 1.00 0.00 C ATOM 54 CG ASN A 5 -10.327 -10.750 -1.398 1.00 0.00 C ATOM 55 OD1 ASN A 5 -11.117 -10.150 -2.280 1.00 0.00 O flip ATOM 56 ND2 ASN A 5 -9.350 -11.422 -1.730 1.00 0.00 N flip ATOM 0 H ASN A 5 -13.342 -12.059 -0.749 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.426 -12.592 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.072 -9.568 0.224 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.796 -10.682 0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.770 -11.866 -1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.121 -11.535 -2.717 1.00 0.00 H new ATOM 63 N VAL A 6 -11.819 -10.403 2.645 1.00 0.00 N ATOM 64 CA VAL A 6 -11.908 -10.277 4.097 1.00 0.00 C ATOM 65 C VAL A 6 -13.028 -9.325 4.511 1.00 0.00 C ATOM 66 O VAL A 6 -13.384 -8.408 3.770 1.00 0.00 O ATOM 67 CB VAL A 6 -10.577 -9.773 4.690 1.00 0.00 C ATOM 68 CG1 VAL A 6 -10.290 -8.350 4.231 1.00 0.00 C ATOM 69 CG2 VAL A 6 -10.596 -9.858 6.209 1.00 0.00 C ATOM 0 H VAL A 6 -11.730 -9.516 2.149 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.128 -11.271 4.487 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.776 -10.416 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.347 -8.013 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.223 -8.325 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.094 -7.692 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.647 -9.497 6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.408 -9.244 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.746 -10.894 6.514 1.00 0.00 H new ATOM 79 N CYS A 7 -13.578 -9.551 5.702 1.00 0.00 N ATOM 80 CA CYS A 7 -14.647 -8.709 6.228 1.00 0.00 C ATOM 81 C CYS A 7 -14.080 -7.389 6.743 1.00 0.00 C ATOM 82 O CYS A 7 -13.599 -7.308 7.874 1.00 0.00 O ATOM 83 CB CYS A 7 -15.401 -9.434 7.345 1.00 0.00 C ATOM 84 SG CYS A 7 -14.335 -10.083 8.655 1.00 0.00 S ATOM 0 H CYS A 7 -13.299 -10.312 6.321 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.346 -8.496 5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -16.124 -8.747 7.786 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -15.968 -10.258 6.911 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.468 -9.177 8.998 1.00 0.00 H new ATOM 90 N GLN A 8 -14.142 -6.364 5.898 1.00 0.00 N ATOM 91 CA GLN A 8 -13.628 -5.037 6.234 1.00 0.00 C ATOM 92 C GLN A 8 -12.109 -5.064 6.402 1.00 0.00 C ATOM 93 O GLN A 8 -11.537 -6.064 6.835 1.00 0.00 O ATOM 94 CB GLN A 8 -14.285 -4.485 7.496 1.00 0.00 C ATOM 95 CG GLN A 8 -15.801 -4.593 7.489 1.00 0.00 C ATOM 96 CD GLN A 8 -16.438 -3.990 8.727 1.00 0.00 C ATOM 97 OE1 GLN A 8 -15.735 -4.059 9.852 1.00 0.00 O flip ATOM 98 NE2 GLN A 8 -17.554 -3.473 8.673 1.00 0.00 N flip ATOM 0 H GLN A 8 -14.548 -6.428 4.964 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.877 -4.376 5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.895 -5.019 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.004 -3.438 7.614 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.192 -4.092 6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.086 -5.642 7.414 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.059 -3.442 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.973 -3.076 9.514 1.00 0.00 H new ATOM 107 N PRO A 9 -11.442 -3.953 6.054 1.00 0.00 N ATOM 108 CA PRO A 9 -9.990 -3.823 6.128 1.00 0.00 C ATOM 109 C PRO A 9 -9.483 -3.149 7.400 1.00 0.00 C ATOM 110 O PRO A 9 -10.157 -3.117 8.430 1.00 0.00 O ATOM 111 CB PRO A 9 -9.730 -2.912 4.949 1.00 0.00 C ATOM 112 CG PRO A 9 -10.851 -1.938 5.028 1.00 0.00 C ATOM 113 CD PRO A 9 -12.045 -2.721 5.524 1.00 0.00 C ATOM 0 HA PRO A 9 -9.492 -4.793 6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.761 -2.419 5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.736 -3.459 4.006 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.611 -1.120 5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.052 -1.494 4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.592 -2.177 6.294 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.751 -2.931 4.720 1.00 0.00 H new ATOM 121 N THR A 10 -8.274 -2.604 7.281 1.00 0.00 N ATOM 122 CA THR A 10 -7.585 -1.903 8.357 1.00 0.00 C ATOM 123 C THR A 10 -6.162 -1.594 7.903 1.00 0.00 C ATOM 124 O THR A 10 -5.653 -0.490 8.089 1.00 0.00 O ATOM 125 CB THR A 10 -7.540 -2.734 9.656 1.00 0.00 C ATOM 126 OG1 THR A 10 -6.680 -2.106 10.614 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.058 -4.147 9.385 1.00 0.00 C ATOM 0 H THR A 10 -7.737 -2.639 6.415 1.00 0.00 H new ATOM 0 HA THR A 10 -8.134 -0.987 8.575 1.00 0.00 H new ATOM 0 HB THR A 10 -8.552 -2.786 10.057 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.660 -2.640 11.435 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.036 -4.709 10.318 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.735 -4.634 8.683 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.056 -4.114 8.958 1.00 0.00 H new ATOM 135 N GLU A 11 -5.543 -2.602 7.303 1.00 0.00 N ATOM 136 CA GLU A 11 -4.192 -2.511 6.765 1.00 0.00 C ATOM 137 C GLU A 11 -3.913 -3.737 5.923 1.00 0.00 C ATOM 138 O GLU A 11 -4.243 -4.857 6.319 1.00 0.00 O ATOM 139 CB GLU A 11 -3.149 -2.396 7.868 1.00 0.00 C ATOM 140 CG GLU A 11 -3.168 -3.557 8.841 1.00 0.00 C ATOM 141 CD GLU A 11 -2.121 -3.426 9.929 1.00 0.00 C ATOM 142 OE1 GLU A 11 -0.989 -3.914 9.726 1.00 0.00 O ATOM 143 OE2 GLU A 11 -2.433 -2.836 10.985 1.00 0.00 O ATOM 0 H GLU A 11 -5.971 -3.519 7.174 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.127 -1.609 6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.160 -2.327 7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.313 -1.469 8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.155 -3.626 9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.004 -4.486 8.295 1.00 0.00 H new ATOM 150 N PHE A 12 -3.314 -3.537 4.767 1.00 0.00 N ATOM 151 CA PHE A 12 -3.008 -4.658 3.897 1.00 0.00 C ATOM 152 C PHE A 12 -1.527 -4.690 3.579 1.00 0.00 C ATOM 153 O PHE A 12 -0.939 -3.692 3.159 1.00 0.00 O ATOM 154 CB PHE A 12 -3.868 -4.644 2.625 1.00 0.00 C ATOM 155 CG PHE A 12 -3.460 -3.654 1.568 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.526 -3.999 0.604 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.035 -2.395 1.518 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.171 -3.105 -0.387 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.688 -1.498 0.525 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.753 -1.855 -0.429 1.00 0.00 C ATOM 0 H PHE A 12 -3.032 -2.624 4.410 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.258 -5.577 4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.851 -5.642 2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.900 -4.438 2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.071 -4.978 0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.763 -2.111 2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.438 -3.385 -1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.146 -0.521 0.494 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.479 -1.156 -1.206 1.00 0.00 H new ATOM 170 N ILE A 13 -0.930 -5.849 3.798 1.00 0.00 N ATOM 171 CA ILE A 13 0.488 -6.033 3.568 1.00 0.00 C ATOM 172 C ILE A 13 0.794 -6.276 2.102 1.00 0.00 C ATOM 173 O ILE A 13 0.535 -7.354 1.577 1.00 0.00 O ATOM 174 CB ILE A 13 1.031 -7.218 4.379 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.638 -7.088 5.851 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.539 -7.299 4.226 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.442 -8.420 6.538 1.00 0.00 C ATOM 0 H ILE A 13 -1.412 -6.681 4.138 1.00 0.00 H new ATOM 0 HA ILE A 13 0.973 -5.111 3.888 1.00 0.00 H new ATOM 0 HB ILE A 13 0.592 -8.139 3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.409 -6.526 6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.283 -6.510 5.924 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.919 -8.142 4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.791 -7.437 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.992 -6.377 4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.165 -8.255 7.579 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.350 -8.976 6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.369 -8.991 6.496 1.00 0.00 H new ATOM 189 N SER A 14 1.343 -5.270 1.444 1.00 0.00 N ATOM 190 CA SER A 14 1.710 -5.404 0.047 1.00 0.00 C ATOM 191 C SER A 14 3.208 -5.258 -0.103 1.00 0.00 C ATOM 192 O SER A 14 3.801 -4.280 0.353 1.00 0.00 O ATOM 193 CB SER A 14 0.998 -4.358 -0.805 1.00 0.00 C ATOM 194 OG SER A 14 0.767 -4.843 -2.112 1.00 0.00 O ATOM 0 H SER A 14 1.543 -4.357 1.852 1.00 0.00 H new ATOM 0 HA SER A 14 1.404 -6.392 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.050 -4.089 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.599 -3.450 -0.851 1.00 0.00 H new ATOM 0 HG SER A 14 0.996 -4.148 -2.764 1.00 0.00 H new ATOM 200 N ARG A 15 3.811 -6.235 -0.746 1.00 0.00 N ATOM 201 CA ARG A 15 5.235 -6.220 -0.978 1.00 0.00 C ATOM 202 C ARG A 15 5.496 -5.633 -2.342 1.00 0.00 C ATOM 203 O ARG A 15 4.610 -5.634 -3.193 1.00 0.00 O ATOM 204 CB ARG A 15 5.812 -7.626 -0.872 1.00 0.00 C ATOM 205 CG ARG A 15 6.037 -8.077 0.559 1.00 0.00 C ATOM 206 CD ARG A 15 6.598 -9.488 0.619 1.00 0.00 C ATOM 207 NE ARG A 15 5.605 -10.486 0.232 1.00 0.00 N ATOM 208 CZ ARG A 15 5.399 -11.617 0.899 1.00 0.00 C ATOM 209 NH1 ARG A 15 6.116 -11.894 1.982 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.475 -12.474 0.485 1.00 0.00 N ATOM 0 H ARG A 15 3.331 -7.054 -1.119 1.00 0.00 H new ATOM 0 HA ARG A 15 5.724 -5.608 -0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.137 -8.326 -1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.759 -7.664 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.724 -7.390 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.095 -8.036 1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.463 -9.563 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.948 -9.697 1.630 1.00 0.00 H new ATOM 0 HE ARG A 15 5.038 -10.305 -0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.827 -11.238 2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.955 -12.763 2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.922 -12.265 -0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.318 -13.342 0.998 1.00 0.00 H new ATOM 224 N HIS A 16 6.694 -5.124 -2.551 1.00 0.00 N ATOM 225 CA HIS A 16 7.026 -4.516 -3.824 1.00 0.00 C ATOM 226 C HIS A 16 8.518 -4.245 -3.932 1.00 0.00 C ATOM 227 O HIS A 16 9.272 -4.478 -2.988 1.00 0.00 O ATOM 228 CB HIS A 16 6.262 -3.202 -3.956 1.00 0.00 C ATOM 229 CG HIS A 16 6.572 -2.246 -2.854 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.843 -1.771 -2.624 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.787 -1.694 -1.897 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.831 -0.971 -1.580 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.596 -0.905 -1.121 1.00 0.00 N ATOM 0 H HIS A 16 7.447 -5.119 -1.863 1.00 0.00 H new ATOM 0 HA HIS A 16 6.747 -5.203 -4.623 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.505 -2.739 -4.913 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.192 -3.407 -3.964 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.667 -2.004 -3.178 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.725 -1.847 -1.770 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.686 -0.456 -1.169 1.00 0.00 H new ATOM 242 N ASN A 17 8.937 -3.749 -5.088 1.00 0.00 N ATOM 243 CA ASN A 17 10.335 -3.408 -5.302 1.00 0.00 C ATOM 244 C ASN A 17 10.545 -1.953 -4.906 1.00 0.00 C ATOM 245 O ASN A 17 9.589 -1.272 -4.541 1.00 0.00 O ATOM 246 CB ASN A 17 10.760 -3.634 -6.759 1.00 0.00 C ATOM 247 CG ASN A 17 9.594 -3.775 -7.713 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.665 -4.545 -7.473 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.643 -3.039 -8.812 1.00 0.00 N ATOM 0 H ASN A 17 8.330 -3.574 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 17 10.955 -4.060 -4.686 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.384 -2.800 -7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.375 -4.532 -6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.891 -3.098 -9.499 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.432 -2.413 -8.972 1.00 0.00 H new ATOM 256 N ILE A 18 11.775 -1.465 -4.974 1.00 0.00 N ATOM 257 CA ILE A 18 12.041 -0.082 -4.597 1.00 0.00 C ATOM 258 C ILE A 18 11.100 0.872 -5.329 1.00 0.00 C ATOM 259 O ILE A 18 10.664 1.882 -4.775 1.00 0.00 O ATOM 260 CB ILE A 18 13.494 0.332 -4.879 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.743 1.741 -4.339 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.793 0.259 -6.369 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.560 1.859 -2.843 1.00 0.00 C ATOM 0 H ILE A 18 12.592 -1.993 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 18 11.870 -0.019 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 18 14.166 -0.360 -4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.757 2.046 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.065 2.436 -4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.826 0.556 -6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.643 -0.762 -6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.124 0.930 -6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.753 2.886 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.538 1.586 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.256 1.190 -2.337 1.00 0.00 H new ATOM 275 N GLU A 19 10.793 0.538 -6.580 1.00 0.00 N ATOM 276 CA GLU A 19 9.895 1.355 -7.397 1.00 0.00 C ATOM 277 C GLU A 19 8.536 1.472 -6.735 1.00 0.00 C ATOM 278 O GLU A 19 7.869 2.504 -6.816 1.00 0.00 O ATOM 279 CB GLU A 19 9.681 0.719 -8.773 1.00 0.00 C ATOM 280 CG GLU A 19 10.794 0.957 -9.770 1.00 0.00 C ATOM 281 CD GLU A 19 11.123 2.426 -9.946 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.502 3.073 -10.815 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.001 2.930 -9.214 1.00 0.00 O ATOM 0 H GLU A 19 11.152 -0.292 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 19 10.357 2.336 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.554 -0.356 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.751 1.102 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.688 0.426 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.508 0.536 -10.734 1.00 0.00 H new ATOM 290 N GLY A 20 8.145 0.396 -6.076 1.00 0.00 N ATOM 291 CA GLY A 20 6.858 0.344 -5.431 1.00 0.00 C ATOM 292 C GLY A 20 5.975 -0.695 -6.083 1.00 0.00 C ATOM 293 O GLY A 20 4.891 -1.006 -5.588 1.00 0.00 O ATOM 0 H GLY A 20 8.705 -0.451 -5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.985 0.109 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.379 1.321 -5.485 1.00 0.00 H new ATOM 297 N ILE A 21 6.449 -1.233 -7.210 1.00 0.00 N ATOM 298 CA ILE A 21 5.720 -2.251 -7.941 1.00 0.00 C ATOM 299 C ILE A 21 5.413 -3.430 -7.041 1.00 0.00 C ATOM 300 O ILE A 21 6.314 -4.138 -6.598 1.00 0.00 O ATOM 301 CB ILE A 21 6.516 -2.762 -9.138 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.089 -1.587 -9.944 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.626 -3.654 -9.979 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.058 -0.764 -10.681 1.00 0.00 C ATOM 0 H ILE A 21 7.341 -0.973 -7.631 1.00 0.00 H new ATOM 0 HA ILE A 21 4.797 -1.789 -8.293 1.00 0.00 H new ATOM 0 HB ILE A 21 7.366 -3.353 -8.797 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.639 -0.934 -9.267 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.807 -1.975 -10.666 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.188 -4.023 -10.837 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.284 -4.497 -9.379 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.765 -3.084 -10.327 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.554 0.042 -11.221 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.523 -1.399 -11.387 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.352 -0.341 -9.967 1.00 0.00 H new ATOM 316 N PHE A 22 4.138 -3.664 -6.824 1.00 0.00 N ATOM 317 CA PHE A 22 3.692 -4.722 -5.941 1.00 0.00 C ATOM 318 C PHE A 22 4.110 -6.114 -6.397 1.00 0.00 C ATOM 319 O PHE A 22 3.601 -6.641 -7.383 1.00 0.00 O ATOM 320 CB PHE A 22 2.182 -4.662 -5.818 1.00 0.00 C ATOM 321 CG PHE A 22 1.685 -3.517 -4.977 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.345 -3.132 -3.818 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.547 -2.829 -5.346 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.869 -2.081 -3.054 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.068 -1.785 -4.589 1.00 0.00 C ATOM 326 CZ PHE A 22 0.728 -1.409 -3.445 1.00 0.00 C ATOM 0 H PHE A 22 3.382 -3.129 -7.252 1.00 0.00 H new ATOM 0 HA PHE A 22 4.173 -4.555 -4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.749 -4.583 -6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.825 -5.598 -5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.237 -3.657 -3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.023 -3.116 -6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.389 -1.787 -2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.826 -1.262 -4.894 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.355 -0.588 -2.851 1.00 0.00 H new ATOM 336 N THR A 23 5.041 -6.701 -5.662 1.00 0.00 N ATOM 337 CA THR A 23 5.492 -8.051 -5.936 1.00 0.00 C ATOM 338 C THR A 23 4.599 -9.018 -5.166 1.00 0.00 C ATOM 339 O THR A 23 4.714 -10.239 -5.278 1.00 0.00 O ATOM 340 CB THR A 23 6.962 -8.244 -5.530 1.00 0.00 C ATOM 341 OG1 THR A 23 7.115 -8.039 -4.120 1.00 0.00 O ATOM 342 CG2 THR A 23 7.843 -7.267 -6.293 1.00 0.00 C ATOM 0 H THR A 23 5.500 -6.258 -4.866 1.00 0.00 H new ATOM 0 HA THR A 23 5.425 -8.243 -7.007 1.00 0.00 H new ATOM 0 HB THR A 23 7.264 -9.263 -5.774 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.054 -8.166 -3.871 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.883 -7.410 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.740 -7.444 -7.364 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.538 -6.246 -6.063 1.00 0.00 H new ATOM 350 N PHE A 24 3.703 -8.421 -4.379 1.00 0.00 N ATOM 351 CA PHE A 24 2.731 -9.139 -3.567 1.00 0.00 C ATOM 352 C PHE A 24 1.752 -8.144 -2.956 1.00 0.00 C ATOM 353 O PHE A 24 2.098 -6.988 -2.720 1.00 0.00 O ATOM 354 CB PHE A 24 3.410 -9.948 -2.455 1.00 0.00 C ATOM 355 CG PHE A 24 2.456 -10.403 -1.376 1.00 0.00 C ATOM 356 CD1 PHE A 24 1.776 -11.605 -1.495 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.225 -9.617 -0.251 1.00 0.00 C ATOM 358 CE1 PHE A 24 0.889 -12.017 -0.517 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.336 -10.025 0.726 1.00 0.00 C ATOM 360 CZ PHE A 24 0.669 -11.223 0.594 1.00 0.00 C ATOM 0 H PHE A 24 3.635 -7.407 -4.289 1.00 0.00 H new ATOM 0 HA PHE A 24 2.201 -9.840 -4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.893 -10.821 -2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.196 -9.342 -2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.941 -12.227 -2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.746 -8.678 -0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.369 -12.958 -0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.164 -9.404 1.593 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.025 -11.542 1.357 1.00 0.00 H new ATOM 370 N VAL A 25 0.527 -8.588 -2.729 1.00 0.00 N ATOM 371 CA VAL A 25 -0.501 -7.751 -2.126 1.00 0.00 C ATOM 372 C VAL A 25 -1.428 -8.606 -1.285 1.00 0.00 C ATOM 373 O VAL A 25 -1.978 -9.601 -1.752 1.00 0.00 O ATOM 374 CB VAL A 25 -1.333 -6.973 -3.174 1.00 0.00 C ATOM 375 CG1 VAL A 25 -2.059 -5.811 -2.523 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.465 -6.476 -4.314 1.00 0.00 C ATOM 0 H VAL A 25 0.217 -9.533 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 25 0.011 -7.015 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.069 -7.662 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.638 -5.276 -3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.729 -6.188 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.332 -5.133 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.082 -5.934 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.305 -5.811 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.007 -7.325 -4.809 1.00 0.00 H new ATOM 386 N ASP A 26 -1.569 -8.222 -0.034 1.00 0.00 N ATOM 387 CA ASP A 26 -2.422 -8.936 0.894 1.00 0.00 C ATOM 388 C ASP A 26 -3.891 -8.734 0.511 1.00 0.00 C ATOM 389 O ASP A 26 -4.319 -7.617 0.228 1.00 0.00 O ATOM 390 CB ASP A 26 -2.112 -8.457 2.309 1.00 0.00 C ATOM 391 CG ASP A 26 -3.242 -8.702 3.288 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.818 -9.809 3.266 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.543 -7.790 4.085 1.00 0.00 O ATOM 0 H ASP A 26 -1.099 -7.411 0.367 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.231 -10.008 0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.215 -8.962 2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.889 -7.390 2.283 1.00 0.00 H new ATOM 398 N HIS A 27 -4.647 -9.833 0.493 1.00 0.00 N ATOM 399 CA HIS A 27 -6.060 -9.820 0.091 1.00 0.00 C ATOM 400 C HIS A 27 -6.905 -8.768 0.812 1.00 0.00 C ATOM 401 O HIS A 27 -8.035 -8.511 0.407 1.00 0.00 O ATOM 402 CB HIS A 27 -6.672 -11.208 0.277 1.00 0.00 C ATOM 403 CG HIS A 27 -6.885 -11.591 1.710 1.00 0.00 C ATOM 404 ND1 HIS A 27 -8.134 -11.787 2.259 1.00 0.00 N ATOM 405 CD2 HIS A 27 -5.997 -11.822 2.706 1.00 0.00 C ATOM 406 CE1 HIS A 27 -8.007 -12.122 3.530 1.00 0.00 C ATOM 407 NE2 HIS A 27 -6.721 -12.151 3.826 1.00 0.00 N ATOM 0 H HIS A 27 -4.301 -10.756 0.755 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.071 -9.541 -0.963 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.628 -11.245 -0.245 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.023 -11.946 -0.194 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.921 -11.759 2.633 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.817 -12.336 4.211 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.328 -12.381 4.739 1.00 0.00 H new ATOM 416 N ARG A 28 -6.383 -8.172 1.872 1.00 0.00 N ATOM 417 CA ARG A 28 -7.133 -7.142 2.586 1.00 0.00 C ATOM 418 C ARG A 28 -7.294 -5.911 1.704 1.00 0.00 C ATOM 419 O ARG A 28 -8.229 -5.127 1.866 1.00 0.00 O ATOM 420 CB ARG A 28 -6.434 -6.762 3.891 1.00 0.00 C ATOM 421 CG ARG A 28 -6.721 -7.716 5.035 1.00 0.00 C ATOM 422 CD ARG A 28 -6.934 -6.964 6.338 1.00 0.00 C ATOM 423 NE ARG A 28 -7.331 -7.855 7.425 1.00 0.00 N ATOM 424 CZ ARG A 28 -6.785 -7.832 8.637 1.00 0.00 C ATOM 425 NH1 ARG A 28 -5.810 -6.977 8.914 1.00 0.00 N ATOM 426 NH2 ARG A 28 -7.214 -8.667 9.574 1.00 0.00 N ATOM 0 H ARG A 28 -5.460 -8.376 2.255 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.117 -7.542 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.358 -6.727 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.744 -5.758 4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.607 -8.308 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.891 -8.414 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.015 -6.445 6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.700 -6.202 6.196 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.070 -8.534 7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.476 -6.334 8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.394 -6.962 9.845 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.963 -9.327 9.365 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.795 -8.649 10.504 1.00 0.00 H new ATOM 440 N CYS A 29 -6.362 -5.764 0.774 1.00 0.00 N ATOM 441 CA CYS A 29 -6.328 -4.645 -0.150 1.00 0.00 C ATOM 442 C CYS A 29 -7.659 -4.397 -0.860 1.00 0.00 C ATOM 443 O CYS A 29 -7.928 -3.280 -1.282 1.00 0.00 O ATOM 444 CB CYS A 29 -5.239 -4.893 -1.182 1.00 0.00 C ATOM 445 SG CYS A 29 -5.535 -6.333 -2.226 1.00 0.00 S ATOM 0 H CYS A 29 -5.599 -6.428 0.640 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.122 -3.750 0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.145 -4.011 -1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.286 -5.019 -0.667 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.478 -6.064 -3.079 1.00 0.00 H new ATOM 451 N VAL A 30 -8.488 -5.421 -1.025 1.00 0.00 N ATOM 452 CA VAL A 30 -9.766 -5.217 -1.702 1.00 0.00 C ATOM 453 C VAL A 30 -10.764 -4.531 -0.768 1.00 0.00 C ATOM 454 O VAL A 30 -11.628 -3.783 -1.208 1.00 0.00 O ATOM 455 CB VAL A 30 -10.359 -6.530 -2.265 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.371 -7.675 -2.136 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.668 -6.875 -1.587 1.00 0.00 C ATOM 0 H VAL A 30 -8.308 -6.375 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.573 -4.568 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.560 -6.372 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.814 -8.585 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.463 -7.437 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.125 -7.826 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.060 -7.803 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.502 -7.000 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.386 -6.071 -1.751 1.00 0.00 H new ATOM 467 N ALA A 31 -10.667 -4.817 0.522 1.00 0.00 N ATOM 468 CA ALA A 31 -11.540 -4.178 1.495 1.00 0.00 C ATOM 469 C ALA A 31 -10.999 -2.798 1.825 1.00 0.00 C ATOM 470 O ALA A 31 -11.745 -1.875 2.151 1.00 0.00 O ATOM 471 CB ALA A 31 -11.643 -5.014 2.757 1.00 0.00 C ATOM 0 H ALA A 31 -10.000 -5.480 0.916 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.538 -4.087 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.301 -4.517 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.050 -5.995 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.653 -5.131 3.197 1.00 0.00 H new ATOM 477 N THR A 32 -9.683 -2.679 1.703 1.00 0.00 N ATOM 478 CA THR A 32 -8.964 -1.450 2.007 1.00 0.00 C ATOM 479 C THR A 32 -9.043 -0.425 0.882 1.00 0.00 C ATOM 480 O THR A 32 -9.527 0.691 1.076 1.00 0.00 O ATOM 481 CB THR A 32 -7.485 -1.778 2.237 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.358 -2.926 3.084 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.760 -0.610 2.860 1.00 0.00 C ATOM 0 H THR A 32 -9.081 -3.439 1.388 1.00 0.00 H new ATOM 0 HA THR A 32 -9.431 -1.021 2.894 1.00 0.00 H new ATOM 0 HB THR A 32 -7.035 -1.990 1.267 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.672 -3.722 2.606 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.713 -0.871 3.012 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.826 0.254 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.217 -0.368 3.820 1.00 0.00 H new ATOM 491 N VAL A 33 -8.567 -0.814 -0.293 1.00 0.00 N ATOM 492 CA VAL A 33 -8.552 0.070 -1.446 1.00 0.00 C ATOM 493 C VAL A 33 -9.410 -0.469 -2.582 1.00 0.00 C ATOM 494 O VAL A 33 -9.334 0.014 -3.709 1.00 0.00 O ATOM 495 CB VAL A 33 -7.114 0.294 -1.939 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.315 1.018 -0.871 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.456 -1.024 -2.284 1.00 0.00 C ATOM 0 H VAL A 33 -8.184 -1.743 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.974 1.023 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.143 0.905 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.296 1.175 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.779 1.982 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.296 0.418 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.439 -0.843 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.430 -1.660 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.025 -1.520 -3.071 1.00 0.00 H new ATOM 507 N GLY A 34 -10.206 -1.489 -2.284 1.00 0.00 N ATOM 508 CA GLY A 34 -11.094 -2.058 -3.295 1.00 0.00 C ATOM 509 C GLY A 34 -10.367 -2.906 -4.315 1.00 0.00 C ATOM 510 O GLY A 34 -10.924 -3.860 -4.857 1.00 0.00 O ATOM 0 H GLY A 34 -10.257 -1.934 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.854 -2.665 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.615 -1.250 -3.808 1.00 0.00 H new ATOM 514 N TYR A 35 -9.119 -2.554 -4.573 1.00 0.00 N ATOM 515 CA TYR A 35 -8.297 -3.262 -5.535 1.00 0.00 C ATOM 516 C TYR A 35 -7.855 -4.615 -5.009 1.00 0.00 C ATOM 517 O TYR A 35 -7.139 -4.693 -4.010 1.00 0.00 O ATOM 518 CB TYR A 35 -7.078 -2.419 -5.859 1.00 0.00 C ATOM 519 CG TYR A 35 -7.451 -1.101 -6.466 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.234 -1.049 -7.606 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.040 0.086 -5.894 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.597 0.148 -8.164 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.396 1.294 -6.443 1.00 0.00 C ATOM 524 CZ TYR A 35 -8.175 1.325 -7.582 1.00 0.00 C ATOM 525 OH TYR A 35 -8.533 2.532 -8.137 1.00 0.00 O ATOM 0 H TYR A 35 -8.649 -1.770 -4.121 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.892 -3.434 -6.432 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.503 -2.249 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.432 -2.965 -6.547 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.565 -1.969 -8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.430 0.065 -5.003 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.209 0.170 -9.053 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.068 2.215 -5.985 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.639 2.428 -9.106 1.00 0.00 H new ATOM 535 N GLN A 36 -8.285 -5.680 -5.674 1.00 0.00 N ATOM 536 CA GLN A 36 -7.895 -7.018 -5.277 1.00 0.00 C ATOM 537 C GLN A 36 -6.374 -7.120 -5.333 1.00 0.00 C ATOM 538 O GLN A 36 -5.735 -6.308 -6.003 1.00 0.00 O ATOM 539 CB GLN A 36 -8.539 -8.053 -6.200 1.00 0.00 C ATOM 540 CG GLN A 36 -10.049 -7.917 -6.301 1.00 0.00 C ATOM 541 CD GLN A 36 -10.671 -8.962 -7.206 1.00 0.00 C ATOM 542 OE1 GLN A 36 -10.049 -9.421 -8.165 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.906 -9.344 -6.906 1.00 0.00 N ATOM 0 H GLN A 36 -8.901 -5.639 -6.486 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.236 -7.217 -4.261 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.106 -7.960 -7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.295 -9.052 -5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.485 -7.999 -5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.296 -6.924 -6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.384 -8.938 -6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.377 -10.044 -7.479 1.00 0.00 H new ATOM 552 N PRO A 37 -5.759 -8.083 -4.631 1.00 0.00 N ATOM 553 CA PRO A 37 -4.312 -8.217 -4.644 1.00 0.00 C ATOM 554 C PRO A 37 -3.752 -8.196 -6.056 1.00 0.00 C ATOM 555 O PRO A 37 -2.694 -7.625 -6.298 1.00 0.00 O ATOM 556 CB PRO A 37 -4.042 -9.560 -3.988 1.00 0.00 C ATOM 557 CG PRO A 37 -5.296 -9.981 -3.310 1.00 0.00 C ATOM 558 CD PRO A 37 -6.411 -9.086 -3.779 1.00 0.00 C ATOM 0 HA PRO A 37 -3.833 -7.388 -4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.741 -10.298 -4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.225 -9.480 -3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.522 -11.022 -3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.184 -9.912 -2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.162 -9.648 -4.335 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.922 -8.618 -2.938 1.00 0.00 H new ATOM 566 N GLN A 38 -4.469 -8.820 -6.985 1.00 0.00 N ATOM 567 CA GLN A 38 -4.044 -8.858 -8.377 1.00 0.00 C ATOM 568 C GLN A 38 -4.214 -7.488 -9.025 1.00 0.00 C ATOM 569 O GLN A 38 -3.469 -7.120 -9.933 1.00 0.00 O ATOM 570 CB GLN A 38 -4.838 -9.911 -9.144 1.00 0.00 C ATOM 571 CG GLN A 38 -6.331 -9.792 -8.931 1.00 0.00 C ATOM 572 CD GLN A 38 -6.966 -11.096 -8.486 1.00 0.00 C ATOM 573 OE1 GLN A 38 -7.056 -11.380 -7.291 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.413 -11.895 -9.448 1.00 0.00 N ATOM 0 H GLN A 38 -5.346 -9.306 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.988 -9.126 -8.410 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.619 -9.820 -10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.510 -10.903 -8.835 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.527 -9.024 -8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.801 -9.462 -9.858 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.317 -11.619 -10.425 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.852 -12.784 -9.209 1.00 0.00 H new ATOM 583 N GLU A 39 -5.203 -6.737 -8.545 1.00 0.00 N ATOM 584 CA GLU A 39 -5.471 -5.399 -9.054 1.00 0.00 C ATOM 585 C GLU A 39 -4.371 -4.437 -8.630 1.00 0.00 C ATOM 586 O GLU A 39 -4.317 -3.295 -9.087 1.00 0.00 O ATOM 587 CB GLU A 39 -6.810 -4.897 -8.549 1.00 0.00 C ATOM 588 CG GLU A 39 -7.753 -4.485 -9.667 1.00 0.00 C ATOM 589 CD GLU A 39 -7.056 -4.208 -10.988 1.00 0.00 C ATOM 590 OE1 GLU A 39 -6.495 -3.102 -11.143 1.00 0.00 O ATOM 591 OE2 GLU A 39 -7.071 -5.097 -11.865 1.00 0.00 O ATOM 0 H GLU A 39 -5.833 -7.037 -7.801 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.498 -5.449 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.282 -5.678 -7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.646 -4.046 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.492 -5.273 -9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.297 -3.592 -9.360 1.00 0.00 H new ATOM 598 N LEU A 40 -3.499 -4.912 -7.749 1.00 0.00 N ATOM 599 CA LEU A 40 -2.396 -4.111 -7.246 1.00 0.00 C ATOM 600 C LEU A 40 -1.068 -4.693 -7.710 1.00 0.00 C ATOM 601 O LEU A 40 -0.136 -3.967 -8.043 1.00 0.00 O ATOM 602 CB LEU A 40 -2.440 -4.085 -5.719 1.00 0.00 C ATOM 603 CG LEU A 40 -3.139 -2.894 -5.053 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.602 -1.849 -6.059 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.308 -3.399 -4.232 1.00 0.00 C ATOM 0 H LEU A 40 -3.538 -5.857 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.489 -3.096 -7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.933 -4.997 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.414 -4.122 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.415 -2.399 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.090 -1.029 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.742 -1.467 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.306 -2.302 -6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.809 -2.556 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.011 -3.919 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.946 -4.085 -3.467 1.00 0.00 H new ATOM 617 N LEU A 41 -1.007 -6.015 -7.735 1.00 0.00 N ATOM 618 CA LEU A 41 0.190 -6.738 -8.140 1.00 0.00 C ATOM 619 C LEU A 41 0.698 -6.265 -9.495 1.00 0.00 C ATOM 620 O LEU A 41 -0.050 -6.209 -10.472 1.00 0.00 O ATOM 621 CB LEU A 41 -0.110 -8.238 -8.174 1.00 0.00 C ATOM 622 CG LEU A 41 0.044 -8.955 -6.832 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.947 -10.105 -6.709 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.471 -9.455 -6.659 1.00 0.00 C ATOM 0 H LEU A 41 -1.787 -6.619 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 41 0.976 -6.539 -7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.130 -8.382 -8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.552 -8.710 -8.900 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.173 -8.240 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.815 -10.597 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.964 -9.719 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.772 -10.823 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.565 -9.963 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.713 -10.150 -7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.159 -8.610 -6.691 1.00 0.00 H new ATOM 636 N GLY A 42 1.981 -5.928 -9.537 1.00 0.00 N ATOM 637 CA GLY A 42 2.594 -5.461 -10.762 1.00 0.00 C ATOM 638 C GLY A 42 2.408 -3.973 -10.964 1.00 0.00 C ATOM 639 O GLY A 42 2.952 -3.392 -11.903 1.00 0.00 O ATOM 0 H GLY A 42 2.611 -5.971 -8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.659 -5.693 -10.745 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.165 -5.997 -11.608 1.00 0.00 H new ATOM 643 N LYS A 43 1.635 -3.359 -10.078 1.00 0.00 N ATOM 644 CA LYS A 43 1.371 -1.932 -10.152 1.00 0.00 C ATOM 645 C LYS A 43 2.207 -1.169 -9.147 1.00 0.00 C ATOM 646 O LYS A 43 2.396 -1.608 -8.012 1.00 0.00 O ATOM 647 CB LYS A 43 -0.100 -1.641 -9.877 1.00 0.00 C ATOM 648 CG LYS A 43 -1.048 -2.475 -10.702 1.00 0.00 C ATOM 649 CD LYS A 43 -2.316 -1.715 -11.037 1.00 0.00 C ATOM 650 CE LYS A 43 -2.898 -2.158 -12.369 1.00 0.00 C ATOM 651 NZ LYS A 43 -1.915 -2.015 -13.480 1.00 0.00 N ATOM 0 H LYS A 43 1.179 -3.831 -9.297 1.00 0.00 H new ATOM 0 HA LYS A 43 1.631 -1.609 -11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.304 -1.814 -8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.295 -0.586 -10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.554 -2.783 -11.624 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.302 -3.384 -10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.052 -1.869 -10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.103 -0.647 -11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.217 -3.198 -12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.786 -1.567 -12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.367 -1.535 -14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.102 -1.454 -13.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.589 -2.956 -13.778 1.00 0.00 H new ATOM 665 N ASN A 44 2.700 -0.022 -9.571 1.00 0.00 N ATOM 666 CA ASN A 44 3.491 0.826 -8.700 1.00 0.00 C ATOM 667 C ASN A 44 2.592 1.383 -7.606 1.00 0.00 C ATOM 668 O ASN A 44 1.629 2.094 -7.880 1.00 0.00 O ATOM 669 CB ASN A 44 4.130 1.962 -9.502 1.00 0.00 C ATOM 670 CG ASN A 44 5.296 2.603 -8.788 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.118 3.465 -7.931 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.499 2.199 -9.159 1.00 0.00 N ATOM 0 H ASN A 44 2.567 0.345 -10.514 1.00 0.00 H new ATOM 0 HA ASN A 44 4.292 0.242 -8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.468 1.576 -10.464 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.376 2.721 -9.710 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.329 2.607 -8.729 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.597 1.480 -9.876 1.00 0.00 H new ATOM 679 N ILE A 45 2.898 1.023 -6.370 1.00 0.00 N ATOM 680 CA ILE A 45 2.132 1.469 -5.222 1.00 0.00 C ATOM 681 C ILE A 45 1.897 2.976 -5.251 1.00 0.00 C ATOM 682 O ILE A 45 0.800 3.449 -4.952 1.00 0.00 O ATOM 683 CB ILE A 45 2.867 1.094 -3.929 1.00 0.00 C ATOM 684 CG1 ILE A 45 2.056 1.487 -2.703 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.221 1.757 -3.904 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.693 1.071 -1.395 1.00 0.00 C ATOM 0 H ILE A 45 3.683 0.415 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 45 1.162 0.973 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 45 2.998 0.012 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.916 2.568 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.065 1.038 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.741 1.489 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.805 1.423 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.097 2.839 -3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.059 1.384 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.808 -0.013 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.672 1.541 -1.301 1.00 0.00 H new ATOM 698 N VAL A 46 2.928 3.726 -5.626 1.00 0.00 N ATOM 699 CA VAL A 46 2.831 5.176 -5.675 1.00 0.00 C ATOM 700 C VAL A 46 1.924 5.635 -6.812 1.00 0.00 C ATOM 701 O VAL A 46 1.337 6.714 -6.741 1.00 0.00 O ATOM 702 CB VAL A 46 4.211 5.867 -5.757 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.314 4.910 -5.346 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.466 6.458 -7.136 1.00 0.00 C ATOM 0 H VAL A 46 3.837 3.353 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 46 2.381 5.483 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 46 4.209 6.700 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.277 5.416 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.146 4.580 -4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.312 4.046 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.446 6.935 -7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.436 5.665 -7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.699 7.199 -7.362 1.00 0.00 H new ATOM 714 N GLU A 47 1.837 4.839 -7.881 1.00 0.00 N ATOM 715 CA GLU A 47 0.968 5.187 -9.001 1.00 0.00 C ATOM 716 C GLU A 47 -0.437 5.477 -8.490 1.00 0.00 C ATOM 717 O GLU A 47 -1.174 6.269 -9.077 1.00 0.00 O ATOM 718 CB GLU A 47 0.930 4.068 -10.041 1.00 0.00 C ATOM 719 CG GLU A 47 1.953 4.235 -11.152 1.00 0.00 C ATOM 720 CD GLU A 47 1.827 3.173 -12.226 1.00 0.00 C ATOM 721 OE1 GLU A 47 0.966 3.328 -13.117 1.00 0.00 O ATOM 722 OE2 GLU A 47 2.589 2.184 -12.176 1.00 0.00 O ATOM 0 H GLU A 47 2.349 3.964 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 47 1.370 6.078 -9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.100 3.114 -9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.067 4.025 -10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.835 5.220 -11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.956 4.198 -10.726 1.00 0.00 H new ATOM 729 N PHE A 48 -0.796 4.823 -7.390 1.00 0.00 N ATOM 730 CA PHE A 48 -2.094 5.033 -6.765 1.00 0.00 C ATOM 731 C PHE A 48 -1.975 6.176 -5.782 1.00 0.00 C ATOM 732 O PHE A 48 -2.903 6.957 -5.590 1.00 0.00 O ATOM 733 CB PHE A 48 -2.559 3.782 -6.030 1.00 0.00 C ATOM 734 CG PHE A 48 -2.743 2.596 -6.918 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.667 1.788 -7.243 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.994 2.285 -7.423 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.842 0.684 -8.062 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.170 1.189 -8.238 1.00 0.00 C ATOM 739 CZ PHE A 48 -3.093 0.389 -8.557 1.00 0.00 C ATOM 0 H PHE A 48 -0.204 4.142 -6.914 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.826 5.264 -7.539 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.833 3.535 -5.256 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.501 3.997 -5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.686 2.019 -6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.840 2.908 -7.175 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.999 0.056 -8.312 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.150 0.956 -8.627 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.231 -0.471 -9.196 1.00 0.00 H new ATOM 749 N CYS A 49 -0.807 6.248 -5.160 1.00 0.00 N ATOM 750 CA CYS A 49 -0.510 7.295 -4.192 1.00 0.00 C ATOM 751 C CYS A 49 -0.652 8.671 -4.828 1.00 0.00 C ATOM 752 O CYS A 49 -0.332 8.852 -6.002 1.00 0.00 O ATOM 753 CB CYS A 49 0.915 7.139 -3.663 1.00 0.00 C ATOM 754 SG CYS A 49 1.500 8.543 -2.685 1.00 0.00 S ATOM 0 H CYS A 49 -0.044 5.588 -5.310 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.220 7.202 -3.370 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.967 6.238 -3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.590 6.992 -4.506 1.00 0.00 H new ATOM 0 HG CYS A 49 1.337 9.641 -3.361 1.00 0.00 H new ATOM 760 N HIS A 50 -1.140 9.637 -4.056 1.00 0.00 N ATOM 761 CA HIS A 50 -1.285 10.995 -4.558 1.00 0.00 C ATOM 762 C HIS A 50 0.072 11.482 -5.060 1.00 0.00 C ATOM 763 O HIS A 50 1.079 11.273 -4.390 1.00 0.00 O ATOM 764 CB HIS A 50 -1.812 11.919 -3.456 1.00 0.00 C ATOM 765 CG HIS A 50 -2.200 13.283 -3.940 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.287 14.206 -4.404 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.414 13.880 -4.026 1.00 0.00 C ATOM 768 CE1 HIS A 50 -1.921 15.312 -4.753 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.212 15.139 -4.535 1.00 0.00 N ATOM 0 H HIS A 50 -1.439 9.505 -3.090 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.003 11.007 -5.378 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.677 11.451 -2.987 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.048 12.022 -2.685 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.363 13.446 -3.746 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.461 16.205 -5.149 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.941 15.829 -4.716 1.00 0.00 H new ATOM 778 N PRO A 51 0.126 12.118 -6.243 1.00 0.00 N ATOM 779 CA PRO A 51 1.383 12.595 -6.831 1.00 0.00 C ATOM 780 C PRO A 51 2.294 13.316 -5.840 1.00 0.00 C ATOM 781 O PRO A 51 3.424 12.885 -5.602 1.00 0.00 O ATOM 782 CB PRO A 51 0.904 13.545 -7.922 1.00 0.00 C ATOM 783 CG PRO A 51 -0.392 12.967 -8.355 1.00 0.00 C ATOM 784 CD PRO A 51 -1.028 12.442 -7.103 1.00 0.00 C ATOM 0 HA PRO A 51 1.998 11.769 -7.189 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.782 14.560 -7.543 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.614 13.596 -8.747 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.020 13.721 -8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.244 12.171 -9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.678 13.185 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.640 11.563 -7.302 1.00 0.00 H new ATOM 792 N GLU A 52 1.802 14.407 -5.264 1.00 0.00 N ATOM 793 CA GLU A 52 2.578 15.190 -4.308 1.00 0.00 C ATOM 794 C GLU A 52 3.046 14.338 -3.130 1.00 0.00 C ATOM 795 O GLU A 52 3.954 14.727 -2.393 1.00 0.00 O ATOM 796 CB GLU A 52 1.740 16.359 -3.795 1.00 0.00 C ATOM 797 CG GLU A 52 1.321 17.330 -4.885 1.00 0.00 C ATOM 798 CD GLU A 52 0.480 18.475 -4.355 1.00 0.00 C ATOM 799 OE1 GLU A 52 1.066 19.490 -3.918 1.00 0.00 O ATOM 800 OE2 GLU A 52 -0.762 18.359 -4.376 1.00 0.00 O ATOM 0 H GLU A 52 0.866 14.771 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 52 3.462 15.565 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.848 15.969 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.309 16.899 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.211 17.732 -5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.757 16.793 -5.648 1.00 0.00 H new ATOM 807 N ASP A 53 2.426 13.177 -2.958 1.00 0.00 N ATOM 808 CA ASP A 53 2.767 12.279 -1.862 1.00 0.00 C ATOM 809 C ASP A 53 3.637 11.106 -2.318 1.00 0.00 C ATOM 810 O ASP A 53 4.269 10.449 -1.489 1.00 0.00 O ATOM 811 CB ASP A 53 1.493 11.744 -1.210 1.00 0.00 C ATOM 812 CG ASP A 53 0.650 12.845 -0.594 1.00 0.00 C ATOM 813 OD1 ASP A 53 0.033 13.618 -1.357 1.00 0.00 O ATOM 814 OD2 ASP A 53 0.610 12.935 0.651 1.00 0.00 O ATOM 0 H ASP A 53 1.682 12.835 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 53 3.344 12.858 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.902 11.213 -1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.759 11.020 -0.440 1.00 0.00 H new ATOM 819 N GLN A 54 3.675 10.833 -3.623 1.00 0.00 N ATOM 820 CA GLN A 54 4.471 9.729 -4.131 1.00 0.00 C ATOM 821 C GLN A 54 5.941 9.924 -3.795 1.00 0.00 C ATOM 822 O GLN A 54 6.655 8.964 -3.526 1.00 0.00 O ATOM 823 CB GLN A 54 4.308 9.581 -5.638 1.00 0.00 C ATOM 824 CG GLN A 54 2.874 9.630 -6.110 1.00 0.00 C ATOM 825 CD GLN A 54 2.758 9.505 -7.618 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.661 9.899 -8.356 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.643 8.959 -8.083 1.00 0.00 N ATOM 0 H GLN A 54 3.168 11.358 -4.336 1.00 0.00 H new ATOM 0 HA GLN A 54 4.112 8.819 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.870 10.373 -6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.750 8.634 -5.949 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.311 8.826 -5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.421 10.568 -5.790 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.920 8.646 -7.435 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.508 8.852 -9.088 1.00 0.00 H new ATOM 836 N GLN A 55 6.388 11.173 -3.816 1.00 0.00 N ATOM 837 CA GLN A 55 7.776 11.484 -3.506 1.00 0.00 C ATOM 838 C GLN A 55 8.112 11.047 -2.088 1.00 0.00 C ATOM 839 O GLN A 55 9.235 10.637 -1.797 1.00 0.00 O ATOM 840 CB GLN A 55 8.039 12.980 -3.669 1.00 0.00 C ATOM 841 CG GLN A 55 9.498 13.366 -3.480 1.00 0.00 C ATOM 842 CD GLN A 55 10.411 12.711 -4.496 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.641 13.248 -5.580 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.941 11.544 -4.148 1.00 0.00 N ATOM 0 H GLN A 55 5.812 11.983 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 55 8.414 10.940 -4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.715 13.291 -4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.431 13.528 -2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.596 14.449 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.817 13.085 -2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.723 11.136 -3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.566 11.056 -4.790 1.00 0.00 H new ATOM 853 N LEU A 56 7.117 11.124 -1.215 1.00 0.00 N ATOM 854 CA LEU A 56 7.274 10.747 0.172 1.00 0.00 C ATOM 855 C LEU A 56 7.249 9.237 0.299 1.00 0.00 C ATOM 856 O LEU A 56 8.019 8.653 1.055 1.00 0.00 O ATOM 857 CB LEU A 56 6.151 11.373 1.002 1.00 0.00 C ATOM 858 CG LEU A 56 5.863 10.703 2.344 1.00 0.00 C ATOM 859 CD1 LEU A 56 6.381 11.549 3.495 1.00 0.00 C ATOM 860 CD2 LEU A 56 4.370 10.451 2.484 1.00 0.00 C ATOM 0 H LEU A 56 6.181 11.450 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 56 8.232 11.111 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.400 12.418 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.237 11.362 0.408 1.00 0.00 H new ATOM 0 HG LEU A 56 6.385 9.746 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.164 11.050 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.458 11.681 3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.893 12.524 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.170 9.973 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.835 11.399 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.034 9.800 1.677 1.00 0.00 H new ATOM 872 N LEU A 57 6.359 8.619 -0.461 1.00 0.00 N ATOM 873 CA LEU A 57 6.217 7.175 -0.456 1.00 0.00 C ATOM 874 C LEU A 57 7.503 6.523 -0.947 1.00 0.00 C ATOM 875 O LEU A 57 8.106 5.702 -0.255 1.00 0.00 O ATOM 876 CB LEU A 57 5.041 6.774 -1.347 1.00 0.00 C ATOM 877 CG LEU A 57 4.618 5.311 -1.257 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.340 4.938 0.187 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.395 5.057 -2.126 1.00 0.00 C ATOM 0 H LEU A 57 5.720 9.101 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 57 6.023 6.834 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.185 7.398 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.300 6.996 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 57 5.431 4.685 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.039 3.892 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.241 5.087 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.540 5.567 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.106 4.009 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.571 5.686 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.630 5.295 -3.163 1.00 0.00 H new ATOM 891 N ARG A 58 7.904 6.897 -2.153 1.00 0.00 N ATOM 892 CA ARG A 58 9.129 6.388 -2.756 1.00 0.00 C ATOM 893 C ARG A 58 10.319 6.677 -1.853 1.00 0.00 C ATOM 894 O ARG A 58 11.259 5.890 -1.779 1.00 0.00 O ATOM 895 CB ARG A 58 9.358 7.036 -4.121 1.00 0.00 C ATOM 896 CG ARG A 58 8.210 6.832 -5.093 1.00 0.00 C ATOM 897 CD ARG A 58 8.379 7.687 -6.338 1.00 0.00 C ATOM 898 NE ARG A 58 9.640 7.414 -7.023 1.00 0.00 N ATOM 899 CZ ARG A 58 9.890 7.773 -8.279 1.00 0.00 C ATOM 900 NH1 ARG A 58 8.966 8.408 -8.987 1.00 0.00 N ATOM 901 NH2 ARG A 58 11.064 7.494 -8.828 1.00 0.00 N ATOM 0 H ARG A 58 7.394 7.558 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 58 9.027 5.310 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.520 8.105 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.270 6.629 -4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.154 5.781 -5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.268 7.081 -4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.549 7.502 -7.020 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.337 8.741 -6.062 1.00 0.00 H new ATOM 0 HE ARG A 58 10.370 6.920 -6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.061 8.622 -8.569 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.160 8.682 -9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.776 7.004 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.255 7.770 -9.791 1.00 0.00 H new ATOM 915 N ASP A 59 10.260 7.810 -1.158 1.00 0.00 N ATOM 916 CA ASP A 59 11.331 8.209 -0.255 1.00 0.00 C ATOM 917 C ASP A 59 11.462 7.180 0.829 1.00 0.00 C ATOM 918 O ASP A 59 12.559 6.753 1.183 1.00 0.00 O ATOM 919 CB ASP A 59 11.041 9.580 0.350 1.00 0.00 C ATOM 920 CG ASP A 59 12.111 10.021 1.328 1.00 0.00 C ATOM 921 OD1 ASP A 59 13.090 10.661 0.889 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.971 9.725 2.534 1.00 0.00 O ATOM 0 H ASP A 59 9.481 8.467 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 59 12.266 8.278 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.958 10.316 -0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.077 9.553 0.859 1.00 0.00 H new ATOM 927 N SER A 60 10.319 6.790 1.344 1.00 0.00 N ATOM 928 CA SER A 60 10.255 5.784 2.372 1.00 0.00 C ATOM 929 C SER A 60 10.987 4.531 1.906 1.00 0.00 C ATOM 930 O SER A 60 11.925 4.075 2.553 1.00 0.00 O ATOM 931 CB SER A 60 8.792 5.486 2.678 1.00 0.00 C ATOM 932 OG SER A 60 7.998 6.620 2.426 1.00 0.00 O ATOM 0 H SER A 60 9.412 7.161 1.062 1.00 0.00 H new ATOM 0 HA SER A 60 10.739 6.138 3.282 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.449 4.651 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.686 5.184 3.720 1.00 0.00 H new ATOM 0 HG SER A 60 7.857 6.713 1.461 1.00 0.00 H new ATOM 938 N PHE A 61 10.577 4.005 0.758 1.00 0.00 N ATOM 939 CA PHE A 61 11.195 2.812 0.199 1.00 0.00 C ATOM 940 C PHE A 61 12.693 2.998 0.041 1.00 0.00 C ATOM 941 O PHE A 61 13.463 2.056 0.219 1.00 0.00 O ATOM 942 CB PHE A 61 10.572 2.474 -1.154 1.00 0.00 C ATOM 943 CG PHE A 61 9.072 2.396 -1.109 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.423 1.909 0.016 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.310 2.816 -2.186 1.00 0.00 C ATOM 946 CE1 PHE A 61 7.046 1.839 0.066 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.932 2.749 -2.143 1.00 0.00 C ATOM 948 CZ PHE A 61 6.298 2.260 -1.016 1.00 0.00 C ATOM 0 H PHE A 61 9.817 4.388 0.196 1.00 0.00 H new ATOM 0 HA PHE A 61 11.019 1.988 0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.869 3.228 -1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.969 1.521 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.004 1.580 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.799 3.200 -3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.555 1.456 0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.349 3.079 -2.990 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.220 2.207 -0.982 1.00 0.00 H new ATOM 958 N GLN A 62 13.104 4.218 -0.287 1.00 0.00 N ATOM 959 CA GLN A 62 14.516 4.507 -0.467 1.00 0.00 C ATOM 960 C GLN A 62 15.236 4.414 0.864 1.00 0.00 C ATOM 961 O GLN A 62 16.392 4.014 0.928 1.00 0.00 O ATOM 962 CB GLN A 62 14.713 5.900 -1.067 1.00 0.00 C ATOM 963 CG GLN A 62 14.063 6.078 -2.428 1.00 0.00 C ATOM 964 CD GLN A 62 15.076 6.301 -3.534 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.446 7.437 -3.832 1.00 0.00 O ATOM 966 NE2 GLN A 62 15.528 5.216 -4.151 1.00 0.00 N ATOM 0 H GLN A 62 12.483 5.014 -0.432 1.00 0.00 H new ATOM 0 HA GLN A 62 14.932 3.772 -1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.306 6.642 -0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.781 6.100 -1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.466 5.196 -2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.378 6.925 -2.391 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.194 4.294 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.209 5.305 -4.905 1.00 0.00 H new ATOM 975 N GLN A 63 14.530 4.773 1.926 1.00 0.00 N ATOM 976 CA GLN A 63 15.090 4.751 3.262 1.00 0.00 C ATOM 977 C GLN A 63 15.165 3.333 3.836 1.00 0.00 C ATOM 978 O GLN A 63 16.164 2.965 4.452 1.00 0.00 O ATOM 979 CB GLN A 63 14.253 5.648 4.158 1.00 0.00 C ATOM 980 CG GLN A 63 14.278 7.112 3.738 1.00 0.00 C ATOM 981 CD GLN A 63 15.664 7.720 3.836 1.00 0.00 C ATOM 982 OE1 GLN A 63 16.440 7.682 2.881 1.00 0.00 O ATOM 983 NE2 GLN A 63 15.981 8.287 4.995 1.00 0.00 N ATOM 0 H GLN A 63 13.560 5.085 1.883 1.00 0.00 H new ATOM 0 HA GLN A 63 16.114 5.120 3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.222 5.294 4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.615 5.565 5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.918 7.199 2.713 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.591 7.679 4.366 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.306 8.296 5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.899 8.714 5.120 1.00 0.00 H new ATOM 992 N VAL A 64 14.109 2.540 3.642 1.00 0.00 N ATOM 993 CA VAL A 64 14.090 1.164 4.154 1.00 0.00 C ATOM 994 C VAL A 64 15.169 0.335 3.483 1.00 0.00 C ATOM 995 O VAL A 64 15.810 -0.508 4.109 1.00 0.00 O ATOM 996 CB VAL A 64 12.715 0.450 3.957 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.629 1.429 3.554 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.804 -0.687 2.937 1.00 0.00 C ATOM 0 H VAL A 64 13.266 2.820 3.141 1.00 0.00 H new ATOM 0 HA VAL A 64 14.273 1.242 5.226 1.00 0.00 H new ATOM 0 HB VAL A 64 12.449 0.020 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.687 0.895 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.515 2.186 4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.903 1.911 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.826 -1.157 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 64 13.122 -0.288 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.527 -1.427 3.280 1.00 0.00 H new ATOM 1008 N VAL A 65 15.352 0.590 2.203 1.00 0.00 N ATOM 1009 CA VAL A 65 16.323 -0.122 1.408 1.00 0.00 C ATOM 1010 C VAL A 65 17.726 0.429 1.642 1.00 0.00 C ATOM 1011 O VAL A 65 18.721 -0.272 1.462 1.00 0.00 O ATOM 1012 CB VAL A 65 15.944 -0.031 -0.076 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.231 1.359 -0.621 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.647 -1.101 -0.884 1.00 0.00 C ATOM 0 H VAL A 65 14.829 1.298 1.687 1.00 0.00 H new ATOM 0 HA VAL A 65 16.323 -1.170 1.709 1.00 0.00 H new ATOM 0 HB VAL A 65 14.872 -0.207 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.955 1.401 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.651 2.095 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.293 1.579 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.360 -1.013 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.726 -0.977 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.362 -2.085 -0.511 1.00 0.00 H new ATOM 1024 N LYS A 66 17.796 1.697 2.036 1.00 0.00 N ATOM 1025 CA LYS A 66 19.072 2.336 2.334 1.00 0.00 C ATOM 1026 C LYS A 66 19.621 1.783 3.635 1.00 0.00 C ATOM 1027 O LYS A 66 20.806 1.473 3.755 1.00 0.00 O ATOM 1028 CB LYS A 66 18.892 3.847 2.469 1.00 0.00 C ATOM 1029 CG LYS A 66 19.157 4.613 1.184 1.00 0.00 C ATOM 1030 CD LYS A 66 18.837 6.094 1.334 1.00 0.00 C ATOM 1031 CE LYS A 66 19.740 6.767 2.357 1.00 0.00 C ATOM 1032 NZ LYS A 66 19.441 8.219 2.493 1.00 0.00 N ATOM 0 H LYS A 66 16.983 2.302 2.156 1.00 0.00 H new ATOM 0 HA LYS A 66 19.766 2.131 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.875 4.054 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.562 4.215 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.202 4.494 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.556 4.191 0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.948 6.589 0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.796 6.212 1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.619 6.279 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.781 6.637 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.967 8.608 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.725 8.715 1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.421 8.350 2.649 1.00 0.00 H new ATOM 1046 N LEU A 67 18.728 1.670 4.605 1.00 0.00 N ATOM 1047 CA LEU A 67 19.063 1.166 5.924 1.00 0.00 C ATOM 1048 C LEU A 67 18.774 -0.326 6.004 1.00 0.00 C ATOM 1049 O LEU A 67 18.837 -0.933 7.073 1.00 0.00 O ATOM 1050 CB LEU A 67 18.251 1.937 6.955 1.00 0.00 C ATOM 1051 CG LEU A 67 18.303 3.457 6.783 1.00 0.00 C ATOM 1052 CD1 LEU A 67 17.426 4.146 7.816 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.738 3.950 6.880 1.00 0.00 C ATOM 0 H LEU A 67 17.747 1.927 4.498 1.00 0.00 H new ATOM 0 HA LEU A 67 20.125 1.307 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 67 17.212 1.611 6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.613 1.682 7.951 1.00 0.00 H new ATOM 0 HG LEU A 67 17.918 3.706 5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.478 5.226 7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.395 3.814 7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.776 3.893 8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.760 5.033 6.756 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.147 3.688 7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 67 20.337 3.483 6.098 1.00 0.00 H new ATOM 1065 N LYS A 68 18.470 -0.888 4.839 1.00 0.00 N ATOM 1066 CA LYS A 68 18.157 -2.307 4.676 1.00 0.00 C ATOM 1067 C LYS A 68 17.578 -2.937 5.939 1.00 0.00 C ATOM 1068 O LYS A 68 18.285 -3.595 6.704 1.00 0.00 O ATOM 1069 CB LYS A 68 19.399 -3.066 4.235 1.00 0.00 C ATOM 1070 CG LYS A 68 19.728 -2.929 2.754 1.00 0.00 C ATOM 1071 CD LYS A 68 18.520 -3.167 1.854 1.00 0.00 C ATOM 1072 CE LYS A 68 17.872 -4.512 2.117 1.00 0.00 C ATOM 1073 NZ LYS A 68 18.697 -5.642 1.604 1.00 0.00 N ATOM 0 H LYS A 68 18.433 -0.363 3.965 1.00 0.00 H new ATOM 0 HA LYS A 68 17.387 -2.376 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 68 20.251 -2.715 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.267 -4.122 4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 68 20.124 -1.931 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.514 -3.638 2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.788 -2.375 2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.829 -3.111 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.716 -4.635 3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.889 -4.539 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.216 -6.542 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.825 -5.540 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.626 -5.634 2.071 1.00 0.00 H new ATOM 1087 N GLY A 69 16.288 -2.727 6.141 1.00 0.00 N ATOM 1088 CA GLY A 69 15.600 -3.289 7.288 1.00 0.00 C ATOM 1089 C GLY A 69 14.834 -2.246 8.069 1.00 0.00 C ATOM 1090 O GLY A 69 13.704 -2.489 8.495 1.00 0.00 O ATOM 0 H GLY A 69 15.697 -2.170 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.912 -4.065 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.326 -3.770 7.944 1.00 0.00 H new ATOM 1094 N GLN A 70 15.450 -1.086 8.261 1.00 0.00 N ATOM 1095 CA GLN A 70 14.810 0.004 8.983 1.00 0.00 C ATOM 1096 C GLN A 70 13.452 0.304 8.362 1.00 0.00 C ATOM 1097 O GLN A 70 13.357 0.599 7.171 1.00 0.00 O ATOM 1098 CB GLN A 70 15.698 1.242 8.945 1.00 0.00 C ATOM 1099 CG GLN A 70 15.307 2.321 9.938 1.00 0.00 C ATOM 1100 CD GLN A 70 15.304 1.828 11.374 1.00 0.00 C ATOM 1101 OE1 GLN A 70 16.189 0.885 11.682 1.00 0.00 O flip ATOM 1102 NE2 GLN A 70 14.519 2.294 12.200 1.00 0.00 N flip ATOM 0 H GLN A 70 16.391 -0.877 7.927 1.00 0.00 H new ATOM 0 HA GLN A 70 14.664 -0.288 10.023 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.728 0.942 9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.672 1.663 7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.999 3.159 9.848 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.316 2.698 9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.856 3.017 11.922 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.532 1.957 13.163 1.00 0.00 H new ATOM 1111 N VAL A 71 12.404 0.228 9.172 1.00 0.00 N ATOM 1112 CA VAL A 71 11.054 0.462 8.684 1.00 0.00 C ATOM 1113 C VAL A 71 10.734 1.949 8.572 1.00 0.00 C ATOM 1114 O VAL A 71 11.169 2.765 9.385 1.00 0.00 O ATOM 1115 CB VAL A 71 10.002 -0.234 9.570 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.837 0.492 10.897 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.676 -0.347 8.834 1.00 0.00 C ATOM 0 H VAL A 71 12.464 0.007 10.166 1.00 0.00 H new ATOM 0 HA VAL A 71 11.011 0.029 7.685 1.00 0.00 H new ATOM 0 HB VAL A 71 10.353 -1.242 9.790 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.089 -0.021 11.502 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.789 0.501 11.428 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.515 1.517 10.713 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.945 -0.841 9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.317 0.649 8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.814 -0.931 7.924 1.00 0.00 H new ATOM 1127 N LEU A 72 9.966 2.274 7.540 1.00 0.00 N ATOM 1128 CA LEU A 72 9.562 3.634 7.247 1.00 0.00 C ATOM 1129 C LEU A 72 8.066 3.816 7.455 1.00 0.00 C ATOM 1130 O LEU A 72 7.283 2.889 7.244 1.00 0.00 O ATOM 1131 CB LEU A 72 9.908 3.952 5.792 1.00 0.00 C ATOM 1132 CG LEU A 72 11.327 4.455 5.537 1.00 0.00 C ATOM 1133 CD1 LEU A 72 11.427 5.926 5.874 1.00 0.00 C ATOM 1134 CD2 LEU A 72 12.349 3.649 6.328 1.00 0.00 C ATOM 0 H LEU A 72 9.604 1.588 6.877 1.00 0.00 H new ATOM 0 HA LEU A 72 10.089 4.308 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.750 3.053 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.207 4.703 5.428 1.00 0.00 H new ATOM 0 HG LEU A 72 11.551 4.322 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.443 6.274 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.731 6.490 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.178 6.076 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.349 4.031 6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.136 3.737 7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.294 2.601 6.032 1.00 0.00 H new ATOM 1146 N SER A 73 7.675 5.013 7.868 1.00 0.00 N ATOM 1147 CA SER A 73 6.271 5.322 8.080 1.00 0.00 C ATOM 1148 C SER A 73 5.911 6.599 7.350 1.00 0.00 C ATOM 1149 O SER A 73 6.409 7.677 7.675 1.00 0.00 O ATOM 1150 CB SER A 73 5.960 5.472 9.564 1.00 0.00 C ATOM 1151 OG SER A 73 4.576 5.305 9.814 1.00 0.00 O ATOM 0 H SER A 73 8.312 5.786 8.063 1.00 0.00 H new ATOM 0 HA SER A 73 5.677 4.496 7.688 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.527 4.736 10.134 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.279 6.456 9.908 1.00 0.00 H new ATOM 0 HG SER A 73 4.403 5.404 10.773 1.00 0.00 H new ATOM 1157 N VAL A 74 5.044 6.471 6.361 1.00 0.00 N ATOM 1158 CA VAL A 74 4.629 7.629 5.571 1.00 0.00 C ATOM 1159 C VAL A 74 3.140 7.600 5.274 1.00 0.00 C ATOM 1160 O VAL A 74 2.587 6.559 4.925 1.00 0.00 O ATOM 1161 CB VAL A 74 5.399 7.716 4.235 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.891 7.834 4.479 1.00 0.00 C ATOM 1163 CG2 VAL A 74 5.095 6.517 3.357 1.00 0.00 C ATOM 0 H VAL A 74 4.614 5.589 6.084 1.00 0.00 H new ATOM 0 HA VAL A 74 4.859 8.506 6.176 1.00 0.00 H new ATOM 0 HB VAL A 74 5.066 8.613 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.412 7.894 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.095 8.733 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.240 6.960 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.649 6.601 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.391 5.604 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.027 6.484 3.144 1.00 0.00 H new ATOM 1173 N MET A 75 2.489 8.749 5.414 1.00 0.00 N ATOM 1174 CA MET A 75 1.066 8.830 5.131 1.00 0.00 C ATOM 1175 C MET A 75 0.840 9.384 3.744 1.00 0.00 C ATOM 1176 O MET A 75 1.371 10.435 3.384 1.00 0.00 O ATOM 1177 CB MET A 75 0.322 9.697 6.138 1.00 0.00 C ATOM 1178 CG MET A 75 0.203 9.075 7.512 1.00 0.00 C ATOM 1179 SD MET A 75 -1.106 9.821 8.498 1.00 0.00 S ATOM 1180 CE MET A 75 -2.542 9.303 7.563 1.00 0.00 C ATOM 0 H MET A 75 2.918 9.623 5.717 1.00 0.00 H new ATOM 0 HA MET A 75 0.673 7.816 5.203 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.834 10.655 6.227 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.678 9.904 5.756 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.011 8.007 7.408 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.152 9.178 8.037 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.400 9.913 7.846 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.346 9.425 6.498 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.756 8.255 7.775 1.00 0.00 H new ATOM 1190 N PHE A 76 0.051 8.672 2.969 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.250 9.100 1.610 1.00 0.00 C ATOM 1192 C PHE A 76 -1.704 8.826 1.244 1.00 0.00 C ATOM 1193 O PHE A 76 -2.396 8.068 1.917 1.00 0.00 O ATOM 1194 CB PHE A 76 0.669 8.390 0.621 1.00 0.00 C ATOM 1195 CG PHE A 76 0.285 6.962 0.374 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.628 5.967 1.273 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.425 6.615 -0.760 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.269 4.660 1.042 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.784 5.305 -0.995 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.433 4.325 -0.089 1.00 0.00 C ATOM 0 H PHE A 76 -0.394 7.798 3.250 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.084 10.176 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.659 8.930 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.692 8.424 0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.183 6.220 2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.702 7.380 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.540 3.894 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.338 5.046 -1.885 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.710 3.297 -0.269 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.148 9.450 0.162 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.513 9.282 -0.319 1.00 0.00 C ATOM 1212 C ARG A 77 -3.578 8.213 -1.412 1.00 0.00 C ATOM 1213 O ARG A 77 -3.089 8.416 -2.523 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.046 10.618 -0.838 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.421 11.586 0.273 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.014 13.014 -0.058 1.00 0.00 C ATOM 1217 NE ARG A 77 -4.813 13.586 -1.140 1.00 0.00 N ATOM 1218 CZ ARG A 77 -4.976 14.895 -1.319 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -4.397 15.758 -0.495 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -5.715 15.342 -2.325 1.00 0.00 N ATOM 0 H ARG A 77 -1.579 10.081 -0.403 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.138 8.949 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.291 11.080 -1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.921 10.435 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.497 11.545 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.940 11.277 1.201 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.117 13.634 0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.961 13.033 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.270 12.949 -1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.825 15.419 0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.524 16.760 -0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.160 14.683 -2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.839 16.345 -2.460 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.179 7.072 -1.079 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.308 5.958 -2.017 1.00 0.00 C ATOM 1236 C PHE A 78 -5.636 6.010 -2.759 1.00 0.00 C ATOM 1237 O PHE A 78 -6.682 5.711 -2.182 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.219 4.613 -1.275 1.00 0.00 C ATOM 1239 CG PHE A 78 -3.932 3.429 -2.172 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.863 2.992 -3.108 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.726 2.755 -2.081 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.589 1.909 -3.927 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.449 1.675 -2.898 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.380 1.253 -3.820 1.00 0.00 C ATOM 0 H PHE A 78 -4.587 6.894 -0.161 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.491 6.046 -2.733 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.438 4.679 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.158 4.438 -0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.810 3.503 -3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.990 3.078 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.321 1.578 -4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.502 1.162 -2.813 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.164 0.409 -4.459 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.606 6.384 -4.034 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.816 6.410 -4.819 1.00 0.00 C ATOM 1256 C ARG A 79 -7.307 4.978 -4.927 1.00 0.00 C ATOM 1257 O ARG A 79 -6.676 4.152 -5.583 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.543 7.010 -6.201 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.790 7.192 -7.044 1.00 0.00 C ATOM 1260 CD ARG A 79 -8.291 5.867 -7.580 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.365 5.860 -9.040 1.00 0.00 N ATOM 1262 CZ ARG A 79 -9.282 5.194 -9.736 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -10.209 4.480 -9.113 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -9.275 5.246 -11.061 1.00 0.00 N ATOM 0 H ARG A 79 -4.763 6.669 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.576 7.034 -4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.054 7.977 -6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.845 6.366 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.570 7.663 -6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.575 7.865 -7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.629 5.067 -7.247 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.277 5.658 -7.166 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.670 6.399 -9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.222 4.439 -8.094 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.909 3.972 -9.653 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.567 5.797 -11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.978 4.735 -11.595 1.00 0.00 H new ATOM 1278 N SER A 80 -8.418 4.682 -4.271 1.00 0.00 N ATOM 1279 CA SER A 80 -8.945 3.326 -4.260 1.00 0.00 C ATOM 1280 C SER A 80 -9.896 3.046 -5.413 1.00 0.00 C ATOM 1281 O SER A 80 -10.105 3.881 -6.289 1.00 0.00 O ATOM 1282 CB SER A 80 -9.623 3.048 -2.919 1.00 0.00 C ATOM 1283 OG SER A 80 -10.654 2.083 -3.027 1.00 0.00 O ATOM 0 H SER A 80 -8.970 5.358 -3.742 1.00 0.00 H new ATOM 0 HA SER A 80 -8.101 2.650 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.878 2.702 -2.203 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.037 3.976 -2.525 1.00 0.00 H new ATOM 0 HG SER A 80 -11.058 1.936 -2.146 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.449 1.842 -5.398 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.376 1.384 -6.413 1.00 0.00 C ATOM 1291 C LYS A 81 -12.600 2.294 -6.480 1.00 0.00 C ATOM 1292 O LYS A 81 -13.356 2.266 -7.451 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.792 -0.053 -6.103 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.372 -0.759 -7.296 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.538 -1.964 -7.674 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.188 -2.749 -8.788 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.442 -3.418 -8.343 1.00 0.00 N ATOM 0 H LYS A 81 -10.262 1.151 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.885 1.416 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.926 -0.608 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.525 -0.049 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.392 -1.073 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.425 -0.071 -8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.545 -1.639 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.405 -2.605 -6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.410 -2.081 -9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.489 -3.499 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.718 -4.138 -9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.285 -3.872 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.200 -2.712 -8.256 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.783 3.103 -5.439 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.910 4.026 -5.373 1.00 0.00 C ATOM 1313 C ASN A 82 -13.521 5.407 -5.891 1.00 0.00 C ATOM 1314 O ASN A 82 -14.334 6.332 -5.895 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.423 4.135 -3.937 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.904 2.805 -3.391 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.344 1.922 -4.281 1.00 0.00 O flip ATOM 1318 ND2 ASN A 82 -14.875 2.570 -2.182 1.00 0.00 N flip ATOM 0 H ASN A 82 -12.164 3.137 -4.629 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.703 3.632 -6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.628 4.520 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.239 4.856 -3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.529 3.277 -1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.197 1.668 -1.830 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.269 5.532 -6.321 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.748 6.787 -6.853 1.00 0.00 C ATOM 1327 C GLN A 83 -11.760 7.861 -5.778 1.00 0.00 C ATOM 1328 O GLN A 83 -12.309 8.946 -5.966 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.569 7.227 -8.063 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.918 6.077 -8.994 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.545 6.357 -10.435 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -12.180 5.307 -11.162 1.00 0.00 O flip ATOM 1333 NE2 GLN A 83 -12.580 7.500 -10.889 1.00 0.00 N flip ATOM 0 H GLN A 83 -11.590 4.771 -6.311 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.717 6.633 -7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.489 7.700 -7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.011 7.981 -8.619 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.405 5.175 -8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.988 5.877 -8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.867 8.277 -10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.322 7.671 -11.861 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.140 7.544 -4.648 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.079 8.463 -3.522 1.00 0.00 C ATOM 1344 C GLU A 84 -9.708 8.417 -2.859 1.00 0.00 C ATOM 1345 O GLU A 84 -9.128 7.344 -2.694 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.161 8.105 -2.511 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.569 8.297 -3.043 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.000 9.750 -3.045 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -13.668 10.467 -4.014 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -14.670 10.173 -2.080 1.00 0.00 O ATOM 0 H GLU A 84 -10.671 6.653 -4.488 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.246 9.476 -3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.034 7.066 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.031 8.717 -1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.626 7.904 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.264 7.717 -2.437 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.193 9.583 -2.482 1.00 0.00 N ATOM 1358 CA TRP A 85 -7.892 9.660 -1.837 1.00 0.00 C ATOM 1359 C TRP A 85 -7.945 9.054 -0.438 1.00 0.00 C ATOM 1360 O TRP A 85 -8.204 9.745 0.547 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.418 11.113 -1.780 1.00 0.00 C ATOM 1362 CG TRP A 85 -6.991 11.651 -3.109 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.397 12.807 -3.702 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.071 11.042 -4.007 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -6.781 12.952 -4.925 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -5.959 11.875 -5.132 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.335 9.869 -3.958 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.130 11.561 -6.207 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.512 9.553 -5.019 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.414 10.397 -6.133 1.00 0.00 C ATOM 0 H TRP A 85 -9.656 10.482 -2.612 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.178 9.084 -2.426 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.222 11.735 -1.386 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.585 11.189 -1.081 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.099 13.508 -3.276 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.914 13.731 -5.570 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.405 9.213 -3.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.055 12.211 -7.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.934 8.641 -4.991 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.761 10.124 -6.949 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.695 7.749 -0.371 1.00 0.00 N ATOM 1382 CA LEU A 86 -7.718 7.015 0.888 1.00 0.00 C ATOM 1383 C LEU A 86 -6.439 7.224 1.684 1.00 0.00 C ATOM 1384 O LEU A 86 -5.410 6.626 1.376 1.00 0.00 O ATOM 1385 CB LEU A 86 -7.902 5.521 0.616 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.258 5.107 0.034 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.553 3.660 0.384 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.371 6.018 0.535 1.00 0.00 C ATOM 0 H LEU A 86 -7.472 7.175 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.553 7.396 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.120 5.198 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.749 4.980 1.550 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.211 5.205 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.518 3.374 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.775 3.019 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.578 3.546 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.322 5.701 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.426 5.961 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.163 7.045 0.236 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.501 8.052 2.721 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.325 8.296 3.539 1.00 0.00 C ATOM 1402 C TRP A 87 -4.876 7.009 4.200 1.00 0.00 C ATOM 1403 O TRP A 87 -5.653 6.329 4.870 1.00 0.00 O ATOM 1404 CB TRP A 87 -5.586 9.365 4.589 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.248 10.741 4.111 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.125 11.696 3.688 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -3.937 11.313 3.988 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.446 12.828 3.311 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.102 12.619 3.484 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -2.638 10.854 4.253 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.025 13.466 3.240 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -1.573 11.700 4.007 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -1.771 12.990 3.505 1.00 0.00 C ATOM 0 H TRP A 87 -7.339 8.557 3.010 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.532 8.660 2.886 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.636 9.334 4.879 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.002 9.142 5.482 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.198 11.579 3.654 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.872 13.685 2.959 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.474 9.860 4.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.174 14.464 2.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -0.568 11.358 4.206 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -0.916 13.624 3.323 1.00 0.00 H new ATOM 1424 N MET A 88 -3.616 6.691 3.998 1.00 0.00 N ATOM 1425 CA MET A 88 -3.029 5.477 4.538 1.00 0.00 C ATOM 1426 C MET A 88 -1.669 5.747 5.140 1.00 0.00 C ATOM 1427 O MET A 88 -1.040 6.764 4.863 1.00 0.00 O ATOM 1428 CB MET A 88 -2.865 4.438 3.434 1.00 0.00 C ATOM 1429 CG MET A 88 -4.139 4.137 2.685 1.00 0.00 C ATOM 1430 SD MET A 88 -5.006 2.696 3.307 1.00 0.00 S ATOM 1431 CE MET A 88 -6.345 2.630 2.128 1.00 0.00 C ATOM 0 H MET A 88 -2.968 7.263 3.456 1.00 0.00 H new ATOM 0 HA MET A 88 -3.700 5.107 5.313 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.113 4.789 2.727 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.485 3.515 3.871 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.799 5.002 2.743 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.905 3.985 1.631 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.554 1.591 1.872 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.236 3.083 2.563 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.064 3.176 1.227 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.233 4.820 5.965 1.00 0.00 N ATOM 1442 CA ARG A 89 0.067 4.894 6.596 1.00 0.00 C ATOM 1443 C ARG A 89 0.866 3.664 6.195 1.00 0.00 C ATOM 1444 O ARG A 89 0.446 2.537 6.453 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.079 4.950 8.112 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.075 5.988 8.586 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.549 6.728 9.797 1.00 0.00 C ATOM 1448 NE ARG A 89 -0.521 5.883 10.988 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.118 6.306 12.182 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.289 7.558 12.343 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.121 5.477 13.217 1.00 0.00 N ATOM 0 H ARG A 89 -1.771 3.991 6.218 1.00 0.00 H new ATOM 0 HA ARG A 89 0.582 5.798 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.387 3.970 8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.894 5.163 8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.279 6.696 7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.020 5.505 8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.456 7.094 9.589 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.173 7.601 9.987 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.828 4.914 10.899 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.293 8.199 11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.598 7.880 13.260 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.433 4.513 13.098 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.189 5.803 14.133 1.00 0.00 H new ATOM 1465 N THR A 90 2.015 3.869 5.574 1.00 0.00 N ATOM 1466 CA THR A 90 2.816 2.745 5.108 1.00 0.00 C ATOM 1467 C THR A 90 3.900 2.334 6.082 1.00 0.00 C ATOM 1468 O THR A 90 4.550 3.178 6.705 1.00 0.00 O ATOM 1469 CB THR A 90 3.506 3.051 3.776 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.768 3.679 4.012 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.642 3.944 2.921 1.00 0.00 C ATOM 0 H THR A 90 2.412 4.789 5.382 1.00 0.00 H new ATOM 0 HA THR A 90 2.099 1.931 5.000 1.00 0.00 H new ATOM 0 HB THR A 90 3.665 2.111 3.247 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.489 3.085 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.151 4.149 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.693 3.448 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.457 4.882 3.445 1.00 0.00 H new ATOM 1479 N SER A 91 4.086 1.021 6.176 1.00 0.00 N ATOM 1480 CA SER A 91 5.119 0.425 7.005 1.00 0.00 C ATOM 1481 C SER A 91 6.098 -0.292 6.082 1.00 0.00 C ATOM 1482 O SER A 91 6.146 -1.521 6.029 1.00 0.00 O ATOM 1483 CB SER A 91 4.505 -0.553 8.010 1.00 0.00 C ATOM 1484 OG SER A 91 4.353 0.050 9.283 1.00 0.00 O ATOM 0 H SER A 91 3.518 0.339 5.674 1.00 0.00 H new ATOM 0 HA SER A 91 5.637 1.195 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.535 -0.891 7.646 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.138 -1.436 8.096 1.00 0.00 H new ATOM 0 HG SER A 91 3.957 -0.595 9.905 1.00 0.00 H new ATOM 1490 N SER A 92 6.868 0.505 5.342 1.00 0.00 N ATOM 1491 CA SER A 92 7.819 -0.013 4.363 1.00 0.00 C ATOM 1492 C SER A 92 9.138 -0.430 4.992 1.00 0.00 C ATOM 1493 O SER A 92 9.825 0.367 5.617 1.00 0.00 O ATOM 1494 CB SER A 92 8.075 1.039 3.289 1.00 0.00 C ATOM 1495 OG SER A 92 6.938 1.864 3.104 1.00 0.00 O ATOM 0 H SER A 92 6.850 1.523 5.405 1.00 0.00 H new ATOM 0 HA SER A 92 7.374 -0.905 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.931 1.652 3.572 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.330 0.549 2.349 1.00 0.00 H new ATOM 0 HG SER A 92 6.951 2.242 2.200 1.00 0.00 H new ATOM 1501 N GLN A 93 9.487 -1.688 4.800 1.00 0.00 N ATOM 1502 CA GLN A 93 10.730 -2.231 5.316 1.00 0.00 C ATOM 1503 C GLN A 93 11.105 -3.472 4.529 1.00 0.00 C ATOM 1504 O GLN A 93 10.235 -4.244 4.140 1.00 0.00 O ATOM 1505 CB GLN A 93 10.609 -2.553 6.801 1.00 0.00 C ATOM 1506 CG GLN A 93 9.529 -3.566 7.128 1.00 0.00 C ATOM 1507 CD GLN A 93 9.488 -3.892 8.603 1.00 0.00 C ATOM 1508 OE1 GLN A 93 10.632 -3.755 9.255 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 8.445 -4.253 9.149 1.00 0.00 N flip ATOM 0 H GLN A 93 8.920 -2.360 4.284 1.00 0.00 H new ATOM 0 HA GLN A 93 11.515 -1.484 5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.567 -2.930 7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.405 -1.632 7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.560 -3.177 6.815 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.704 -4.479 6.559 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.588 -4.344 8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.438 -4.461 10.147 1.00 0.00 H new ATOM 1518 N THR A 94 12.399 -3.665 4.315 1.00 0.00 N ATOM 1519 CA THR A 94 12.889 -4.796 3.539 1.00 0.00 C ATOM 1520 C THR A 94 12.108 -6.067 3.840 1.00 0.00 C ATOM 1521 O THR A 94 12.088 -6.557 4.970 1.00 0.00 O ATOM 1522 CB THR A 94 14.384 -5.013 3.791 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.586 -5.634 5.066 1.00 0.00 O ATOM 1524 CG2 THR A 94 15.103 -3.674 3.751 1.00 0.00 C ATOM 0 H THR A 94 13.131 -3.050 4.670 1.00 0.00 H new ATOM 0 HA THR A 94 12.740 -4.560 2.485 1.00 0.00 H new ATOM 0 HB THR A 94 14.786 -5.666 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.718 -5.847 5.467 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.167 -3.827 3.930 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.962 -3.214 2.773 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.696 -3.019 4.521 1.00 0.00 H new ATOM 1532 N ALA A 95 11.460 -6.581 2.802 1.00 0.00 N ATOM 1533 CA ALA A 95 10.631 -7.777 2.896 1.00 0.00 C ATOM 1534 C ALA A 95 11.368 -8.976 3.466 1.00 0.00 C ATOM 1535 O ALA A 95 12.535 -8.899 3.851 1.00 0.00 O ATOM 1536 CB ALA A 95 10.093 -8.134 1.524 1.00 0.00 C ATOM 0 H ALA A 95 11.495 -6.178 1.866 1.00 0.00 H new ATOM 0 HA ALA A 95 9.820 -7.539 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.474 -9.028 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.493 -7.308 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.924 -8.323 0.845 1.00 0.00 H new ATOM 1542 N GLN A 96 10.646 -10.085 3.515 1.00 0.00 N ATOM 1543 CA GLN A 96 11.165 -11.342 4.004 1.00 0.00 C ATOM 1544 C GLN A 96 11.588 -12.216 2.839 1.00 0.00 C ATOM 1545 O GLN A 96 10.992 -12.167 1.763 1.00 0.00 O ATOM 1546 CB GLN A 96 10.094 -12.046 4.819 1.00 0.00 C ATOM 1547 CG GLN A 96 9.304 -11.107 5.715 1.00 0.00 C ATOM 1548 CD GLN A 96 8.404 -11.845 6.685 1.00 0.00 C ATOM 1549 OE1 GLN A 96 8.832 -13.031 7.102 1.00 0.00 O flip ATOM 1550 NE2 GLN A 96 7.340 -11.354 7.061 1.00 0.00 N flip ATOM 0 H GLN A 96 9.673 -10.132 3.212 1.00 0.00 H new ATOM 0 HA GLN A 96 12.034 -11.154 4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.407 -12.554 4.142 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.562 -12.815 5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.996 -10.477 6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.699 -10.444 5.096 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.050 -10.439 6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.748 -11.862 7.719 1.00 0.00 H new ATOM 1559 N ASN A 97 12.623 -13.004 3.067 1.00 0.00 N ATOM 1560 CA ASN A 97 13.150 -13.897 2.052 1.00 0.00 C ATOM 1561 C ASN A 97 12.023 -14.653 1.341 1.00 0.00 C ATOM 1562 O ASN A 97 11.036 -15.039 1.968 1.00 0.00 O ATOM 1563 CB ASN A 97 14.117 -14.872 2.712 1.00 0.00 C ATOM 1564 CG ASN A 97 14.552 -15.993 1.789 1.00 0.00 C ATOM 1565 OD1 ASN A 97 15.665 -15.789 1.093 1.00 0.00 O flip ATOM 1566 ND2 ASN A 97 13.899 -17.032 1.704 1.00 0.00 N flip ATOM 0 H ASN A 97 13.120 -13.043 3.957 1.00 0.00 H new ATOM 0 HA ASN A 97 13.674 -13.312 1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.998 -14.327 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.645 -15.300 3.597 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.050 -17.147 2.257 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.207 -17.778 1.081 1.00 0.00 H new ATOM 1573 N PRO A 98 12.153 -14.876 0.017 1.00 0.00 N ATOM 1574 CA PRO A 98 13.308 -14.451 -0.769 1.00 0.00 C ATOM 1575 C PRO A 98 13.196 -13.008 -1.259 1.00 0.00 C ATOM 1576 O PRO A 98 14.055 -12.533 -2.001 1.00 0.00 O ATOM 1577 CB PRO A 98 13.251 -15.417 -1.943 1.00 0.00 C ATOM 1578 CG PRO A 98 11.805 -15.606 -2.185 1.00 0.00 C ATOM 1579 CD PRO A 98 11.166 -15.572 -0.830 1.00 0.00 C ATOM 0 HA PRO A 98 14.237 -14.470 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 98 13.752 -15.008 -2.820 1.00 0.00 H new ATOM 0 HB3 PRO A 98 13.742 -16.361 -1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.408 -14.819 -2.826 1.00 0.00 H new ATOM 0 HG3 PRO A 98 11.611 -16.554 -2.687 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.214 -15.041 -0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 98 10.962 -16.577 -0.460 1.00 0.00 H new ATOM 1587 N TYR A 99 12.140 -12.311 -0.841 1.00 0.00 N ATOM 1588 CA TYR A 99 11.932 -10.936 -1.246 1.00 0.00 C ATOM 1589 C TYR A 99 12.613 -9.990 -0.271 1.00 0.00 C ATOM 1590 O TYR A 99 12.229 -8.834 -0.146 1.00 0.00 O ATOM 1591 CB TYR A 99 10.438 -10.628 -1.318 1.00 0.00 C ATOM 1592 CG TYR A 99 9.564 -11.861 -1.402 1.00 0.00 C ATOM 1593 CD1 TYR A 99 9.669 -12.732 -2.478 1.00 0.00 C ATOM 1594 CD2 TYR A 99 8.642 -12.155 -0.407 1.00 0.00 C ATOM 1595 CE1 TYR A 99 8.877 -13.862 -2.561 1.00 0.00 C ATOM 1596 CE2 TYR A 99 7.846 -13.283 -0.484 1.00 0.00 C ATOM 1597 CZ TYR A 99 7.968 -14.132 -1.562 1.00 0.00 C ATOM 1598 OH TYR A 99 7.177 -15.256 -1.641 1.00 0.00 O ATOM 0 H TYR A 99 11.419 -12.683 -0.222 1.00 0.00 H new ATOM 0 HA TYR A 99 12.369 -10.795 -2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.153 -10.051 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.248 -9.999 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.381 -12.523 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.545 -11.493 0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.971 -14.530 -3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.132 -13.497 0.297 1.00 0.00 H new ATOM 0 HH TYR A 99 6.591 -15.300 -0.856 1.00 0.00 H new ATOM 1608 N SER A 100 13.626 -10.486 0.426 1.00 0.00 N ATOM 1609 CA SER A 100 14.343 -9.668 1.393 1.00 0.00 C ATOM 1610 C SER A 100 14.936 -8.435 0.725 1.00 0.00 C ATOM 1611 O SER A 100 15.073 -7.384 1.350 1.00 0.00 O ATOM 1612 CB SER A 100 15.443 -10.480 2.079 1.00 0.00 C ATOM 1613 OG SER A 100 16.135 -9.696 3.036 1.00 0.00 O ATOM 0 H SER A 100 13.968 -11.443 0.341 1.00 0.00 H new ATOM 0 HA SER A 100 13.631 -9.341 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.006 -11.352 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.145 -10.851 1.332 1.00 0.00 H new ATOM 0 HG SER A 100 16.832 -10.238 3.461 1.00 0.00 H new ATOM 1619 N ASP A 101 15.289 -8.570 -0.548 1.00 0.00 N ATOM 1620 CA ASP A 101 15.852 -7.459 -1.301 1.00 0.00 C ATOM 1621 C ASP A 101 14.748 -6.486 -1.700 1.00 0.00 C ATOM 1622 O ASP A 101 15.012 -5.403 -2.221 1.00 0.00 O ATOM 1623 CB ASP A 101 16.588 -7.970 -2.542 1.00 0.00 C ATOM 1624 CG ASP A 101 15.677 -8.727 -3.489 1.00 0.00 C ATOM 1625 OD1 ASP A 101 15.178 -9.803 -3.099 1.00 0.00 O ATOM 1626 OD2 ASP A 101 15.466 -8.246 -4.621 1.00 0.00 O ATOM 0 H ASP A 101 15.195 -9.436 -1.078 1.00 0.00 H new ATOM 0 HA ASP A 101 16.570 -6.936 -0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.034 -7.126 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.406 -8.621 -2.233 1.00 0.00 H new ATOM 1631 N GLU A 102 13.505 -6.891 -1.448 1.00 0.00 N ATOM 1632 CA GLU A 102 12.346 -6.076 -1.760 1.00 0.00 C ATOM 1633 C GLU A 102 11.992 -5.163 -0.603 1.00 0.00 C ATOM 1634 O GLU A 102 12.837 -4.836 0.231 1.00 0.00 O ATOM 1635 CB GLU A 102 11.160 -6.958 -2.090 1.00 0.00 C ATOM 1636 CG GLU A 102 11.318 -7.692 -3.397 1.00 0.00 C ATOM 1637 CD GLU A 102 12.005 -6.871 -4.473 1.00 0.00 C ATOM 1638 OE1 GLU A 102 13.254 -6.830 -4.484 1.00 0.00 O ATOM 1639 OE2 GLU A 102 11.293 -6.275 -5.308 1.00 0.00 O ATOM 0 H GLU A 102 13.279 -7.791 -1.023 1.00 0.00 H new ATOM 0 HA GLU A 102 12.594 -5.460 -2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.018 -7.682 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.259 -6.346 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.890 -8.604 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.334 -7.996 -3.755 1.00 0.00 H new ATOM 1646 N ILE A 103 10.730 -4.758 -0.560 1.00 0.00 N ATOM 1647 CA ILE A 103 10.247 -3.871 0.489 1.00 0.00 C ATOM 1648 C ILE A 103 8.797 -4.168 0.855 1.00 0.00 C ATOM 1649 O ILE A 103 7.875 -3.882 0.089 1.00 0.00 O ATOM 1650 CB ILE A 103 10.370 -2.388 0.071 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.832 -2.043 -0.232 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.796 -1.466 1.148 1.00 0.00 C ATOM 1653 CD1 ILE A 103 12.035 -0.681 -0.859 1.00 0.00 C ATOM 0 H ILE A 103 10.021 -5.030 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 103 10.874 -4.052 1.362 1.00 0.00 H new ATOM 0 HB ILE A 103 9.787 -2.234 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.404 -2.092 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.241 -2.802 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.895 -0.428 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.743 -1.699 1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.341 -1.612 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.098 -0.518 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.494 -0.631 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.660 0.089 -0.185 1.00 0.00 H new ATOM 1665 N GLU A 104 8.620 -4.762 2.028 1.00 0.00 N ATOM 1666 CA GLU A 104 7.302 -5.080 2.550 1.00 0.00 C ATOM 1667 C GLU A 104 6.661 -3.820 3.110 1.00 0.00 C ATOM 1668 O GLU A 104 7.083 -3.305 4.145 1.00 0.00 O ATOM 1669 CB GLU A 104 7.421 -6.128 3.647 1.00 0.00 C ATOM 1670 CG GLU A 104 6.149 -6.924 3.868 1.00 0.00 C ATOM 1671 CD GLU A 104 6.305 -7.999 4.926 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.123 -7.686 6.122 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.611 -9.153 4.560 1.00 0.00 O ATOM 0 H GLU A 104 9.387 -5.036 2.642 1.00 0.00 H new ATOM 0 HA GLU A 104 6.681 -5.475 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.230 -6.814 3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.698 -5.636 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.348 -6.246 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.847 -7.387 2.928 1.00 0.00 H new ATOM 1680 N THR A 105 5.644 -3.328 2.425 1.00 0.00 N ATOM 1681 CA THR A 105 4.965 -2.112 2.838 1.00 0.00 C ATOM 1682 C THR A 105 3.537 -2.387 3.290 1.00 0.00 C ATOM 1683 O THR A 105 2.689 -2.793 2.494 1.00 0.00 O ATOM 1684 CB THR A 105 4.967 -1.086 1.692 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.286 -0.560 1.534 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.991 0.052 1.948 1.00 0.00 C ATOM 0 H THR A 105 5.269 -3.753 1.577 1.00 0.00 H new ATOM 0 HA THR A 105 5.510 -1.704 3.689 1.00 0.00 H new ATOM 0 HB THR A 105 4.649 -1.595 0.782 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.427 -0.306 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.024 0.754 1.115 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.982 -0.349 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.267 0.568 2.868 1.00 0.00 H new ATOM 1694 N ILE A 106 3.278 -2.161 4.575 1.00 0.00 N ATOM 1695 CA ILE A 106 1.944 -2.373 5.127 1.00 0.00 C ATOM 1696 C ILE A 106 1.126 -1.093 5.066 1.00 0.00 C ATOM 1697 O ILE A 106 1.322 -0.180 5.869 1.00 0.00 O ATOM 1698 CB ILE A 106 1.978 -2.869 6.589 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.617 -4.257 6.672 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.564 -2.895 7.172 1.00 0.00 C ATOM 1701 CD1 ILE A 106 4.123 -4.245 6.522 1.00 0.00 C ATOM 0 H ILE A 106 3.969 -1.833 5.249 1.00 0.00 H new ATOM 0 HA ILE A 106 1.482 -3.146 4.514 1.00 0.00 H new ATOM 0 HB ILE A 106 2.584 -2.178 7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.360 -4.709 7.630 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.189 -4.891 5.896 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.602 -3.247 8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.141 -1.891 7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.060 -3.566 6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.504 -5.264 6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.389 -3.824 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.563 -3.638 7.314 1.00 0.00 H new ATOM 1713 N ILE A 107 0.214 -1.030 4.108 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.634 0.135 3.945 1.00 0.00 C ATOM 1715 C ILE A 107 -1.850 0.056 4.867 1.00 0.00 C ATOM 1716 O ILE A 107 -2.754 -0.747 4.644 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.098 0.266 2.494 1.00 0.00 C ATOM 1718 CG1 ILE A 107 0.119 0.401 1.583 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.024 1.461 2.348 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.215 0.283 0.119 1.00 0.00 C ATOM 0 H ILE A 107 0.044 -1.775 3.432 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.046 1.014 4.211 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.653 -0.626 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.594 1.365 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.847 -0.367 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.349 1.545 1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.894 1.328 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.495 2.369 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.695 0.388 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.662 -0.692 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.920 1.067 -0.158 1.00 0.00 H new ATOM 1732 N CYS A 108 -1.874 0.901 5.895 1.00 0.00 N ATOM 1733 CA CYS A 108 -2.972 0.901 6.859 1.00 0.00 C ATOM 1734 C CYS A 108 -3.894 2.107 6.688 1.00 0.00 C ATOM 1735 O CYS A 108 -3.441 3.249 6.646 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.412 0.885 8.283 1.00 0.00 C ATOM 1737 SG CYS A 108 -3.658 1.109 9.573 1.00 0.00 S ATOM 0 H CYS A 108 -1.148 1.593 6.082 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.564 0.004 6.676 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.900 -0.063 8.449 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -1.664 1.672 8.376 1.00 0.00 H new ATOM 0 HG CYS A 108 -4.722 0.426 9.272 1.00 0.00 H new ATOM 1743 N THR A 109 -5.194 1.837 6.597 1.00 0.00 N ATOM 1744 CA THR A 109 -6.194 2.892 6.453 1.00 0.00 C ATOM 1745 C THR A 109 -6.197 3.797 7.682 1.00 0.00 C ATOM 1746 O THR A 109 -6.095 3.316 8.811 1.00 0.00 O ATOM 1747 CB THR A 109 -7.604 2.299 6.285 1.00 0.00 C ATOM 1748 OG1 THR A 109 -7.866 1.361 7.335 1.00 0.00 O ATOM 1749 CG2 THR A 109 -7.749 1.612 4.940 1.00 0.00 C ATOM 0 H THR A 109 -5.581 0.893 6.621 1.00 0.00 H new ATOM 0 HA THR A 109 -5.933 3.467 5.565 1.00 0.00 H new ATOM 0 HB THR A 109 -8.325 3.115 6.335 1.00 0.00 H new ATOM 0 HG1 THR A 109 -8.332 0.581 6.968 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.755 1.202 4.847 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.577 2.334 4.142 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.020 0.806 4.863 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.315 5.103 7.466 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.333 6.055 8.573 1.00 0.00 C ATOM 1759 C ASN A 110 -7.659 6.810 8.624 1.00 0.00 C ATOM 1760 O ASN A 110 -8.218 7.027 9.699 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.168 7.040 8.455 1.00 0.00 C ATOM 1762 CG ASN A 110 -4.970 7.856 9.719 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -3.715 8.119 10.063 1.00 0.00 O flip ATOM 1764 ND2 ASN A 110 -5.933 8.238 10.384 1.00 0.00 N flip ATOM 0 H ASN A 110 -6.399 5.525 6.541 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.223 5.493 9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.253 6.491 8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.348 7.712 7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.882 8.014 10.083 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.782 8.779 11.236 1.00 0.00 H new ATOM 1771 N THR A 111 -8.156 7.208 7.459 1.00 0.00 N ATOM 1772 CA THR A 111 -9.417 7.937 7.376 1.00 0.00 C ATOM 1773 C THR A 111 -10.585 6.991 7.119 1.00 0.00 C ATOM 1774 O THR A 111 -10.407 5.775 7.065 1.00 0.00 O ATOM 1775 CB THR A 111 -9.379 9.004 6.266 1.00 0.00 C ATOM 1776 OG1 THR A 111 -8.978 8.409 5.026 1.00 0.00 O ATOM 1777 CG2 THR A 111 -8.421 10.128 6.629 1.00 0.00 C ATOM 0 H THR A 111 -7.706 7.039 6.559 1.00 0.00 H new ATOM 0 HA THR A 111 -9.559 8.431 8.337 1.00 0.00 H new ATOM 0 HB THR A 111 -10.380 9.421 6.160 1.00 0.00 H new ATOM 0 HG1 THR A 111 -8.958 9.094 4.326 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.411 10.870 5.830 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.747 10.598 7.557 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.418 9.723 6.761 1.00 0.00 H new ATOM 1785 N ASN A 112 -11.779 7.564 6.966 1.00 0.00 N ATOM 1786 CA ASN A 112 -12.990 6.783 6.715 1.00 0.00 C ATOM 1787 C ASN A 112 -13.311 5.879 7.903 1.00 0.00 C ATOM 1788 O ASN A 112 -12.585 4.924 8.183 1.00 0.00 O ATOM 1789 CB ASN A 112 -12.837 5.943 5.444 1.00 0.00 C ATOM 1790 CG ASN A 112 -12.428 6.776 4.244 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -11.725 6.297 3.354 1.00 0.00 O ATOM 1792 ND2 ASN A 112 -12.867 8.029 4.211 1.00 0.00 N ATOM 0 H ASN A 112 -11.933 8.571 7.012 1.00 0.00 H new ATOM 0 HA ASN A 112 -13.816 7.481 6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -12.092 5.165 5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.780 5.440 5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -12.624 8.634 3.427 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -13.448 8.386 4.970 1.00 0.00 H new ATOM 1799 N VAL A 113 -14.406 6.183 8.594 1.00 0.00 N ATOM 1800 CA VAL A 113 -14.819 5.399 9.754 1.00 0.00 C ATOM 1801 C VAL A 113 -16.164 4.716 9.519 1.00 0.00 C ATOM 1802 O VAL A 113 -17.220 5.337 9.648 1.00 0.00 O ATOM 1803 CB VAL A 113 -14.901 6.273 11.021 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -13.508 6.592 11.542 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -15.675 7.555 10.747 1.00 0.00 C ATOM 0 H VAL A 113 -15.022 6.965 8.372 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.059 4.632 9.902 1.00 0.00 H new ATOM 0 HB VAL A 113 -15.436 5.710 11.786 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -13.587 7.210 12.437 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.990 5.665 11.786 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.948 7.130 10.777 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -15.719 8.155 11.656 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -15.174 8.122 9.962 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -16.687 7.308 10.426 1.00 0.00 H new ATOM 1815 N LYS A 114 -16.114 3.431 9.175 1.00 0.00 N ATOM 1816 CA LYS A 114 -17.323 2.651 8.926 1.00 0.00 C ATOM 1817 C LYS A 114 -18.191 3.303 7.853 1.00 0.00 C ATOM 1818 O LYS A 114 -19.019 4.165 8.149 1.00 0.00 O ATOM 1819 CB LYS A 114 -18.125 2.493 10.220 1.00 0.00 C ATOM 1820 CG LYS A 114 -19.396 1.678 10.056 1.00 0.00 C ATOM 1821 CD LYS A 114 -20.230 1.686 11.327 1.00 0.00 C ATOM 1822 CE LYS A 114 -21.528 0.915 11.148 1.00 0.00 C ATOM 1823 NZ LYS A 114 -21.283 -0.513 10.806 1.00 0.00 N ATOM 0 H LYS A 114 -15.246 2.907 9.062 1.00 0.00 H new ATOM 0 HA LYS A 114 -17.020 1.667 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -17.494 2.019 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -18.384 3.482 10.599 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -19.984 2.081 9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -19.140 0.651 9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -19.655 1.248 12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -20.453 2.715 11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -22.114 0.973 12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -22.121 1.380 10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -22.174 -1.044 10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -20.915 -0.579 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -20.589 -0.914 11.468 1.00 0.00 H new ATOM 1837 N ASN A 115 -18.001 2.884 6.606 1.00 0.00 N ATOM 1838 CA ASN A 115 -18.772 3.427 5.492 1.00 0.00 C ATOM 1839 C ASN A 115 -19.161 2.325 4.509 1.00 0.00 C ATOM 1840 O ASN A 115 -19.359 2.582 3.321 1.00 0.00 O ATOM 1841 CB ASN A 115 -17.976 4.520 4.773 1.00 0.00 C ATOM 1842 CG ASN A 115 -16.682 4.003 4.175 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -16.090 3.047 4.675 1.00 0.00 O ATOM 1844 ND2 ASN A 115 -16.235 4.638 3.099 1.00 0.00 N ATOM 0 H ASN A 115 -17.321 2.171 6.341 1.00 0.00 H new ATOM 0 HA ASN A 115 -19.685 3.864 5.895 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -18.590 4.951 3.982 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -17.752 5.323 5.476 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -15.368 4.338 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -16.758 5.426 2.718 1.00 0.00 H new ATOM 1851 N SER A 116 -19.267 1.101 5.018 1.00 0.00 N ATOM 1852 CA SER A 116 -19.639 -0.049 4.198 1.00 0.00 C ATOM 1853 C SER A 116 -18.679 -0.229 3.023 1.00 0.00 C ATOM 1854 O SER A 116 -19.106 -0.381 1.877 1.00 0.00 O ATOM 1855 CB SER A 116 -21.073 0.107 3.684 1.00 0.00 C ATOM 1856 OG SER A 116 -21.993 0.200 4.758 1.00 0.00 O ATOM 0 H SER A 116 -19.100 0.879 5.999 1.00 0.00 H new ATOM 0 HA SER A 116 -19.577 -0.939 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 116 -21.144 0.999 3.062 1.00 0.00 H new ATOM 0 HB3 SER A 116 -21.331 -0.743 3.053 1.00 0.00 H new ATOM 0 HG SER A 116 -22.901 0.301 4.403 1.00 0.00 H new ATOM 1862 N SER A 117 -17.381 -0.215 3.315 1.00 0.00 N ATOM 1863 CA SER A 117 -16.362 -0.381 2.284 1.00 0.00 C ATOM 1864 C SER A 117 -14.973 -0.516 2.903 1.00 0.00 C ATOM 1865 O SER A 117 -14.386 -1.598 2.899 1.00 0.00 O ATOM 1866 CB SER A 117 -16.392 0.798 1.308 1.00 0.00 C ATOM 1867 OG SER A 117 -16.257 2.032 1.990 1.00 0.00 O ATOM 0 H SER A 117 -17.011 -0.090 4.257 1.00 0.00 H new ATOM 0 HA SER A 117 -16.583 -1.298 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.587 0.692 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.329 0.788 0.751 1.00 0.00 H new ATOM 0 HG SER A 117 -16.278 2.768 1.343 1.00 0.00 H new ATOM 1873 N GLN A 118 -14.455 0.586 3.438 1.00 0.00 N ATOM 1874 CA GLN A 118 -13.138 0.587 4.065 1.00 0.00 C ATOM 1875 C GLN A 118 -13.230 1.031 5.521 1.00 0.00 C ATOM 1876 O GLN A 118 -14.264 1.532 5.962 1.00 0.00 O ATOM 1877 CB GLN A 118 -12.181 1.502 3.299 1.00 0.00 C ATOM 1878 CG GLN A 118 -12.802 2.827 2.885 1.00 0.00 C ATOM 1879 CD GLN A 118 -13.153 2.875 1.409 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -13.460 1.717 0.832 1.00 0.00 O flip ATOM 1881 NE2 GLN A 118 -13.146 3.940 0.793 1.00 0.00 N flip ATOM 0 H GLN A 118 -14.928 1.490 3.450 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.751 -0.432 4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.306 1.699 3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -11.830 0.981 2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.702 3.001 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.109 3.636 3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -12.904 4.806 1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -13.382 3.957 -0.199 1.00 0.00 H new ATOM 1890 N GLU A 119 -12.142 0.846 6.264 1.00 0.00 N ATOM 1891 CA GLU A 119 -12.107 1.227 7.672 1.00 0.00 C ATOM 1892 C GLU A 119 -10.674 1.486 8.127 1.00 0.00 C ATOM 1893 O GLU A 119 -10.024 0.534 8.606 1.00 0.00 O ATOM 1894 CB GLU A 119 -12.745 0.132 8.533 1.00 0.00 C ATOM 1895 CG GLU A 119 -13.144 0.595 9.926 1.00 0.00 C ATOM 1896 CD GLU A 119 -11.951 0.901 10.812 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -11.381 -0.050 11.388 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -11.588 2.090 10.929 1.00 0.00 O ATOM 1899 OXT GLU A 119 -10.214 2.641 8.000 1.00 0.00 O ATOM 0 H GLU A 119 -11.276 0.436 5.915 1.00 0.00 H new ATOM 0 HA GLU A 119 -12.677 2.148 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.628 -0.250 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.045 -0.699 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.766 1.486 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.753 -0.176 10.399 1.00 0.00 H new TER 1906 GLU A 119