USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 551 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 21 LYS NZ :NH3+ 168:sc= -0.445 (180deg=-0.0435) USER MOD Set 1.2: A 65 GLN : amide:sc= -2.55 K(o=-3,f=-2!) USER MOD Set 2.1: A 38 SER OG : rot -112:sc= 1.31 USER MOD Set 2.2: A 42 ASN : amide:sc= -4.37! C(o=-3.1!,f=-10!) USER MOD Single : A 1 MET CE :methyl 171:sc= -0.0114 (180deg=-0.159) USER MOD Single : A 1 MET N :NH3+ 168:sc=-0.00564 (180deg=-0.207) USER MOD Single : A 2 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.53) USER MOD Single : A 3 HIS : no HD1:sc= -0.0942 X(o=-0.094,f=-0.59) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 5 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.0092) USER MOD Single : A 6 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.085) USER MOD Single : A 7 HIS : no HE2:sc= 0.0513 X(o=0.051,f=-0.29) USER MOD Single : A 11 GLN : amide:sc= -2.99! K(o=-3!,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.249 K(o=-0.25,f=-5.5!) USER MOD Single : A 28 THR OG1 : rot 166:sc= 0.026 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00304 USER MOD Single : A 30 TYR OH : rot 130:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= -0.265 (180deg=-0.266) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.826 K(o=-0.83,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.141 USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= -0.0435 (180deg=-0.362) USER MOD Single : A 43 THR OG1 : rot 179:sc= 1.05 USER MOD Single : A 46 THR OG1 : rot -170:sc= -1.66 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -101:sc= -0.12 (180deg=-0.686) USER MOD Single : A 64 ASN : amide:sc= -5.4! K(o=-5.4!,f=-0.8) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.518 -8.207 -12.717 1.00 64.02 N ATOM 2 CA MET A 1 1.265 -8.377 -13.444 1.00 4.43 C ATOM 3 C MET A 1 0.554 -7.039 -13.620 1.00 13.13 C ATOM 4 O MET A 1 0.276 -6.339 -12.645 1.00 71.21 O ATOM 5 CB MET A 1 0.353 -9.360 -12.707 1.00 42.34 C ATOM 6 CG MET A 1 0.272 -9.109 -11.210 1.00 54.45 C ATOM 7 SD MET A 1 -1.083 -10.006 -10.429 1.00 1.15 S ATOM 8 CE MET A 1 -0.588 -11.700 -10.735 1.00 12.21 C ATOM 0 H1 MET A 1 2.883 -9.138 -12.431 1.00 64.02 H new ATOM 0 H2 MET A 1 3.214 -7.736 -13.330 1.00 64.02 H new ATOM 0 H3 MET A 1 2.352 -7.626 -11.871 1.00 64.02 H new ATOM 0 HA MET A 1 1.497 -8.778 -14.431 1.00 4.43 H new ATOM 0 HB2 MET A 1 -0.649 -9.301 -13.132 1.00 42.34 H new ATOM 0 HB3 MET A 1 0.713 -10.375 -12.878 1.00 42.34 H new ATOM 0 HG2 MET A 1 1.213 -9.402 -10.745 1.00 54.45 H new ATOM 0 HG3 MET A 1 0.147 -8.041 -11.031 1.00 54.45 H new ATOM 0 HE1 MET A 1 -1.237 -12.375 -10.177 1.00 12.21 H new ATOM 0 HE2 MET A 1 -0.669 -11.916 -11.800 1.00 12.21 H new ATOM 0 HE3 MET A 1 0.444 -11.841 -10.414 1.00 12.21 H new ATOM 18 N HIS A 2 0.261 -6.689 -14.868 1.00 45.23 N ATOM 19 CA HIS A 2 -0.418 -5.434 -15.171 1.00 73.44 C ATOM 20 C HIS A 2 0.418 -4.241 -14.721 1.00 0.43 C ATOM 21 O HIS A 2 0.421 -3.881 -13.543 1.00 10.20 O ATOM 22 CB HIS A 2 -1.789 -5.396 -14.495 1.00 21.31 C ATOM 23 CG HIS A 2 -2.753 -4.455 -15.148 1.00 53.22 C ATOM 24 ND1 HIS A 2 -2.357 -3.320 -15.824 1.00 64.55 N ATOM 25 CD2 HIS A 2 -4.104 -4.485 -15.227 1.00 72.24 C ATOM 26 CE1 HIS A 2 -3.422 -2.693 -16.290 1.00 1.11 C ATOM 27 NE2 HIS A 2 -4.495 -3.379 -15.942 1.00 32.43 N ATOM 0 H HIS A 2 0.483 -7.257 -15.686 1.00 45.23 H new ATOM 0 HA HIS A 2 -0.552 -5.373 -16.251 1.00 73.44 H new ATOM 0 HB2 HIS A 2 -2.215 -6.399 -14.499 1.00 21.31 H new ATOM 0 HB3 HIS A 2 -1.663 -5.107 -13.452 1.00 21.31 H new ATOM 0 HD2 HIS A 2 -4.754 -5.238 -14.806 1.00 72.24 H new ATOM 0 HE1 HIS A 2 -3.416 -1.775 -16.859 1.00 1.11 H new ATOM 0 HE2 HIS A 2 -5.458 -3.129 -16.167 1.00 32.43 H new ATOM 35 N HIS A 3 1.127 -3.631 -15.665 1.00 42.52 N ATOM 36 CA HIS A 3 1.968 -2.477 -15.365 1.00 31.11 C ATOM 37 C HIS A 3 2.555 -1.885 -16.643 1.00 22.52 C ATOM 38 O HIS A 3 3.688 -2.191 -17.017 1.00 73.54 O ATOM 39 CB HIS A 3 3.093 -2.874 -14.409 1.00 20.50 C ATOM 40 CG HIS A 3 3.629 -1.730 -13.606 1.00 2.50 C ATOM 41 ND1 HIS A 3 3.692 -0.438 -14.085 1.00 72.24 N ATOM 42 CD2 HIS A 3 4.128 -1.687 -12.348 1.00 54.13 C ATOM 43 CE1 HIS A 3 4.207 0.349 -13.158 1.00 23.10 C ATOM 44 NE2 HIS A 3 4.480 -0.384 -12.094 1.00 31.33 N ATOM 0 H HIS A 3 1.136 -3.916 -16.644 1.00 42.52 H new ATOM 0 HA HIS A 3 1.346 -1.720 -14.888 1.00 31.11 H new ATOM 0 HB2 HIS A 3 2.726 -3.644 -13.730 1.00 20.50 H new ATOM 0 HB3 HIS A 3 3.907 -3.317 -14.983 1.00 20.50 H new ATOM 0 HD2 HIS A 3 4.230 -2.522 -11.671 1.00 54.13 H new ATOM 0 HE1 HIS A 3 4.376 1.411 -13.254 1.00 23.10 H new ATOM 0 HE2 HIS A 3 4.886 -0.038 -11.225 1.00 31.33 H new ATOM 52 N HIS A 4 1.778 -1.037 -17.308 1.00 74.44 N ATOM 53 CA HIS A 4 2.221 -0.403 -18.545 1.00 20.02 C ATOM 54 C HIS A 4 1.411 0.859 -18.829 1.00 23.51 C ATOM 55 O HIS A 4 0.463 0.836 -19.615 1.00 4.33 O ATOM 56 CB HIS A 4 2.096 -1.378 -19.716 1.00 42.31 C ATOM 57 CG HIS A 4 2.724 -0.878 -20.981 1.00 23.13 C ATOM 58 ND1 HIS A 4 1.991 -0.478 -22.078 1.00 64.31 N ATOM 59 CD2 HIS A 4 4.025 -0.713 -21.318 1.00 53.20 C ATOM 60 CE1 HIS A 4 2.814 -0.091 -23.036 1.00 52.55 C ATOM 61 NE2 HIS A 4 4.054 -0.222 -22.600 1.00 75.54 N ATOM 0 H HIS A 4 0.839 -0.773 -17.012 1.00 74.44 H new ATOM 0 HA HIS A 4 3.268 -0.123 -18.426 1.00 20.02 H new ATOM 0 HB2 HIS A 4 2.559 -2.326 -19.440 1.00 42.31 H new ATOM 0 HB3 HIS A 4 1.041 -1.580 -19.899 1.00 42.31 H new ATOM 0 HD2 HIS A 4 4.880 -0.928 -20.695 1.00 53.20 H new ATOM 0 HE1 HIS A 4 2.522 0.271 -24.011 1.00 52.55 H new ATOM 0 HE2 HIS A 4 4.896 0.005 -23.129 1.00 75.54 H new ATOM 69 N HIS A 5 1.790 1.957 -18.184 1.00 5.22 N ATOM 70 CA HIS A 5 1.099 3.228 -18.367 1.00 42.41 C ATOM 71 C HIS A 5 2.055 4.401 -18.164 1.00 74.52 C ATOM 72 O HIS A 5 2.882 4.390 -17.252 1.00 71.30 O ATOM 73 CB HIS A 5 -0.076 3.339 -17.395 1.00 61.11 C ATOM 74 CG HIS A 5 -1.403 3.484 -18.074 1.00 10.11 C ATOM 75 ND1 HIS A 5 -2.405 4.304 -17.600 1.00 11.21 N ATOM 76 CD2 HIS A 5 -1.890 2.909 -19.198 1.00 41.14 C ATOM 77 CE1 HIS A 5 -3.451 4.226 -18.402 1.00 55.15 C ATOM 78 NE2 HIS A 5 -3.164 3.386 -19.381 1.00 15.32 N ATOM 0 H HIS A 5 2.572 1.992 -17.530 1.00 5.22 H new ATOM 0 HA HIS A 5 0.720 3.263 -19.388 1.00 42.41 H new ATOM 0 HB2 HIS A 5 -0.097 2.453 -16.760 1.00 61.11 H new ATOM 0 HB3 HIS A 5 0.084 4.196 -16.741 1.00 61.11 H new ATOM 0 HD2 HIS A 5 -1.372 2.205 -19.833 1.00 41.14 H new ATOM 0 HE1 HIS A 5 -4.383 4.758 -18.279 1.00 55.15 H new ATOM 0 HE2 HIS A 5 -3.788 3.133 -20.148 1.00 15.32 H new ATOM 86 N HIS A 6 1.935 5.410 -19.021 1.00 4.24 N ATOM 87 CA HIS A 6 2.789 6.590 -18.935 1.00 73.02 C ATOM 88 C HIS A 6 1.970 7.866 -19.107 1.00 2.14 C ATOM 89 O HIS A 6 1.380 8.100 -20.162 1.00 14.05 O ATOM 90 CB HIS A 6 3.888 6.529 -19.997 1.00 35.44 C ATOM 91 CG HIS A 6 3.375 6.232 -21.372 1.00 65.53 C ATOM 92 ND1 HIS A 6 3.316 7.178 -22.374 1.00 32.43 N ATOM 93 CD2 HIS A 6 2.899 5.085 -21.911 1.00 63.23 C ATOM 94 CE1 HIS A 6 2.823 6.626 -23.469 1.00 4.25 C ATOM 95 NE2 HIS A 6 2.563 5.356 -23.215 1.00 12.44 N ATOM 0 H HIS A 6 1.256 5.435 -19.782 1.00 4.24 H new ATOM 0 HA HIS A 6 3.249 6.604 -17.947 1.00 73.02 H new ATOM 0 HB2 HIS A 6 4.419 7.481 -20.014 1.00 35.44 H new ATOM 0 HB3 HIS A 6 4.612 5.765 -19.715 1.00 35.44 H new ATOM 0 HD2 HIS A 6 2.802 4.134 -21.409 1.00 63.23 H new ATOM 0 HE1 HIS A 6 2.660 7.128 -24.411 1.00 4.25 H new ATOM 0 HE2 HIS A 6 2.176 4.686 -23.879 1.00 12.44 H new ATOM 103 N HIS A 7 1.939 8.688 -18.062 1.00 51.14 N ATOM 104 CA HIS A 7 1.192 9.941 -18.098 1.00 24.33 C ATOM 105 C HIS A 7 1.743 10.930 -17.075 1.00 51.32 C ATOM 106 O HIS A 7 2.699 10.631 -16.361 1.00 61.31 O ATOM 107 CB HIS A 7 -0.290 9.683 -17.828 1.00 74.11 C ATOM 108 CG HIS A 7 -1.125 9.634 -19.070 1.00 74.25 C ATOM 109 ND1 HIS A 7 -1.365 10.738 -19.860 1.00 54.42 N ATOM 110 CD2 HIS A 7 -1.777 8.604 -19.659 1.00 64.43 C ATOM 111 CE1 HIS A 7 -2.130 10.390 -20.880 1.00 5.20 C ATOM 112 NE2 HIS A 7 -2.393 9.100 -20.782 1.00 21.43 N ATOM 0 H HIS A 7 2.422 8.509 -17.181 1.00 51.14 H new ATOM 0 HA HIS A 7 1.302 10.374 -19.092 1.00 24.33 H new ATOM 0 HB2 HIS A 7 -0.394 8.739 -17.292 1.00 74.11 H new ATOM 0 HB3 HIS A 7 -0.673 10.465 -17.173 1.00 74.11 H new ATOM 0 HD1 HIS A 7 -1.008 11.677 -19.685 1.00 54.42 H new ATOM 0 HD2 HIS A 7 -1.807 7.582 -19.311 1.00 64.43 H new ATOM 0 HE1 HIS A 7 -2.480 11.049 -21.661 1.00 5.20 H new ATOM 120 N GLU A 8 1.133 12.110 -17.012 1.00 71.22 N ATOM 121 CA GLU A 8 1.564 13.143 -16.078 1.00 41.11 C ATOM 122 C GLU A 8 0.737 13.097 -14.796 1.00 45.02 C ATOM 123 O GLU A 8 -0.024 12.157 -14.568 1.00 62.35 O ATOM 124 CB GLU A 8 1.448 14.526 -16.723 1.00 61.33 C ATOM 125 CG GLU A 8 2.043 14.598 -18.119 1.00 63.44 C ATOM 126 CD GLU A 8 0.989 14.536 -19.207 1.00 54.12 C ATOM 127 OE1 GLU A 8 0.269 13.518 -19.280 1.00 2.20 O ATOM 128 OE2 GLU A 8 0.883 15.507 -19.986 1.00 12.14 O ATOM 0 H GLU A 8 0.340 12.374 -17.596 1.00 71.22 H new ATOM 0 HA GLU A 8 2.607 12.955 -15.824 1.00 41.11 H new ATOM 0 HB2 GLU A 8 0.396 14.808 -16.770 1.00 61.33 H new ATOM 0 HB3 GLU A 8 1.946 15.257 -16.087 1.00 61.33 H new ATOM 0 HG2 GLU A 8 2.610 15.523 -18.221 1.00 63.44 H new ATOM 0 HG3 GLU A 8 2.746 13.776 -18.253 1.00 63.44 H new ATOM 135 N VAL A 9 0.894 14.120 -13.961 1.00 73.52 N ATOM 136 CA VAL A 9 0.162 14.197 -12.702 1.00 42.13 C ATOM 137 C VAL A 9 0.307 12.908 -11.902 1.00 63.31 C ATOM 138 O VAL A 9 -0.606 12.085 -11.832 1.00 12.32 O ATOM 139 CB VAL A 9 -1.334 14.476 -12.939 1.00 0.12 C ATOM 140 CG1 VAL A 9 -2.079 14.551 -11.615 1.00 10.32 C ATOM 141 CG2 VAL A 9 -1.517 15.758 -13.736 1.00 41.45 C ATOM 0 H VAL A 9 1.521 14.906 -14.134 1.00 73.52 H new ATOM 0 HA VAL A 9 0.593 15.023 -12.136 1.00 42.13 H new ATOM 0 HB VAL A 9 -1.752 13.653 -13.518 1.00 0.12 H new ATOM 0 HG11 VAL A 9 -3.134 14.749 -11.802 1.00 10.32 H new ATOM 0 HG12 VAL A 9 -1.976 13.604 -11.085 1.00 10.32 H new ATOM 0 HG13 VAL A 9 -1.662 15.354 -11.008 1.00 10.32 H new ATOM 0 HG21 VAL A 9 -2.580 15.940 -13.894 1.00 41.45 H new ATOM 0 HG22 VAL A 9 -1.084 16.593 -13.186 1.00 41.45 H new ATOM 0 HG23 VAL A 9 -1.018 15.661 -14.700 1.00 41.45 H new ATOM 151 N PRO A 10 1.483 12.725 -11.283 1.00 31.23 N ATOM 152 CA PRO A 10 1.776 11.537 -10.475 1.00 13.33 C ATOM 153 C PRO A 10 0.976 11.508 -9.177 1.00 30.33 C ATOM 154 O PRO A 10 1.510 11.781 -8.102 1.00 42.13 O ATOM 155 CB PRO A 10 3.272 11.670 -10.178 1.00 74.12 C ATOM 156 CG PRO A 10 3.548 13.131 -10.269 1.00 54.01 C ATOM 157 CD PRO A 10 2.617 13.664 -11.323 1.00 73.42 C ATOM 0 HA PRO A 10 1.511 10.616 -10.993 1.00 13.33 H new ATOM 0 HB2 PRO A 10 3.515 11.282 -9.189 1.00 74.12 H new ATOM 0 HB3 PRO A 10 3.870 11.109 -10.896 1.00 74.12 H new ATOM 0 HG2 PRO A 10 3.374 13.621 -9.311 1.00 54.01 H new ATOM 0 HG3 PRO A 10 4.588 13.316 -10.538 1.00 54.01 H new ATOM 0 HD2 PRO A 10 2.302 14.684 -11.102 1.00 73.42 H new ATOM 0 HD3 PRO A 10 3.090 13.682 -12.305 1.00 73.42 H new ATOM 165 N GLN A 11 -0.306 11.174 -9.284 1.00 70.04 N ATOM 166 CA GLN A 11 -1.179 11.109 -8.118 1.00 4.30 C ATOM 167 C GLN A 11 -2.588 10.682 -8.515 1.00 42.44 C ATOM 168 O GLN A 11 -3.267 9.973 -7.772 1.00 2.32 O ATOM 169 CB GLN A 11 -1.224 12.466 -7.413 1.00 23.14 C ATOM 170 CG GLN A 11 -1.528 13.627 -8.346 1.00 34.25 C ATOM 171 CD GLN A 11 -0.492 14.730 -8.262 1.00 70.02 C ATOM 172 OE1 GLN A 11 -0.628 15.668 -7.476 1.00 34.31 O ATOM 173 NE2 GLN A 11 0.553 14.624 -9.075 1.00 73.30 N ATOM 0 H GLN A 11 -0.763 10.944 -10.166 1.00 70.04 H new ATOM 0 HA GLN A 11 -0.774 10.364 -7.433 1.00 4.30 H new ATOM 0 HB2 GLN A 11 -1.980 12.434 -6.629 1.00 23.14 H new ATOM 0 HB3 GLN A 11 -0.266 12.644 -6.925 1.00 23.14 H new ATOM 0 HG2 GLN A 11 -1.580 13.260 -9.371 1.00 34.25 H new ATOM 0 HG3 GLN A 11 -2.509 14.036 -8.103 1.00 34.25 H new ATOM 0 HE21 GLN A 11 0.626 13.830 -9.711 1.00 73.30 H new ATOM 0 HE22 GLN A 11 1.283 15.337 -9.063 1.00 73.30 H new ATOM 182 N THR A 12 -3.023 11.119 -9.693 1.00 53.12 N ATOM 183 CA THR A 12 -4.352 10.784 -10.189 1.00 31.20 C ATOM 184 C THR A 12 -4.535 11.250 -11.629 1.00 34.52 C ATOM 185 O THR A 12 -4.484 10.448 -12.562 1.00 54.33 O ATOM 186 CB THR A 12 -5.453 11.412 -9.314 1.00 52.10 C ATOM 187 OG1 THR A 12 -4.869 12.294 -8.349 1.00 43.45 O ATOM 188 CG2 THR A 12 -6.258 10.336 -8.602 1.00 35.21 C ATOM 0 H THR A 12 -2.474 11.706 -10.321 1.00 53.12 H new ATOM 0 HA THR A 12 -4.441 9.698 -10.147 1.00 31.20 H new ATOM 0 HB THR A 12 -6.123 11.976 -9.963 1.00 52.10 H new ATOM 0 HG1 THR A 12 -5.576 12.690 -7.798 1.00 43.45 H new ATOM 0 HG21 THR A 12 -7.029 10.804 -7.990 1.00 35.21 H new ATOM 0 HG22 THR A 12 -6.726 9.684 -9.339 1.00 35.21 H new ATOM 0 HG23 THR A 12 -5.597 9.748 -7.965 1.00 35.21 H new ATOM 196 N PHE A 13 -4.748 12.550 -11.803 1.00 34.33 N ATOM 197 CA PHE A 13 -4.940 13.122 -13.130 1.00 44.22 C ATOM 198 C PHE A 13 -5.152 14.631 -13.046 1.00 60.13 C ATOM 199 O PHE A 13 -5.156 15.208 -11.959 1.00 60.43 O ATOM 200 CB PHE A 13 -6.134 12.465 -13.825 1.00 13.52 C ATOM 201 CG PHE A 13 -7.364 12.398 -12.966 1.00 15.13 C ATOM 202 CD1 PHE A 13 -8.237 13.473 -12.896 1.00 64.40 C ATOM 203 CD2 PHE A 13 -7.649 11.260 -12.228 1.00 51.23 C ATOM 204 CE1 PHE A 13 -9.369 13.413 -12.106 1.00 3.34 C ATOM 205 CE2 PHE A 13 -8.780 11.195 -11.436 1.00 72.03 C ATOM 206 CZ PHE A 13 -9.642 12.273 -11.376 1.00 24.21 C ATOM 0 H PHE A 13 -4.792 13.227 -11.041 1.00 34.33 H new ATOM 0 HA PHE A 13 -4.040 12.931 -13.714 1.00 44.22 H new ATOM 0 HB2 PHE A 13 -6.365 13.020 -14.734 1.00 13.52 H new ATOM 0 HB3 PHE A 13 -5.857 11.455 -14.129 1.00 13.52 H new ATOM 0 HD1 PHE A 13 -8.030 14.367 -13.465 1.00 64.40 H new ATOM 0 HD2 PHE A 13 -6.979 10.414 -12.272 1.00 51.23 H new ATOM 0 HE1 PHE A 13 -10.040 14.258 -12.059 1.00 3.34 H new ATOM 0 HE2 PHE A 13 -8.990 10.303 -10.865 1.00 72.03 H new ATOM 0 HZ PHE A 13 -10.527 12.224 -10.760 1.00 24.21 H new ATOM 216 N GLU A 14 -5.328 15.263 -14.203 1.00 5.15 N ATOM 217 CA GLU A 14 -5.539 16.705 -14.260 1.00 21.32 C ATOM 218 C GLU A 14 -6.792 17.039 -15.064 1.00 42.31 C ATOM 219 O GLU A 14 -7.186 16.293 -15.960 1.00 63.22 O ATOM 220 CB GLU A 14 -4.323 17.397 -14.878 1.00 65.34 C ATOM 221 CG GLU A 14 -3.846 16.751 -16.169 1.00 10.52 C ATOM 222 CD GLU A 14 -2.616 17.429 -16.740 1.00 42.24 C ATOM 223 OE1 GLU A 14 -2.008 18.256 -16.028 1.00 74.24 O ATOM 224 OE2 GLU A 14 -2.261 17.132 -17.900 1.00 43.24 O ATOM 0 H GLU A 14 -5.329 14.800 -15.112 1.00 5.15 H new ATOM 0 HA GLU A 14 -5.674 17.068 -13.241 1.00 21.32 H new ATOM 0 HB2 GLU A 14 -4.570 18.441 -15.073 1.00 65.34 H new ATOM 0 HB3 GLU A 14 -3.507 17.392 -14.156 1.00 65.34 H new ATOM 0 HG2 GLU A 14 -3.624 15.700 -15.985 1.00 10.52 H new ATOM 0 HG3 GLU A 14 -4.649 16.783 -16.905 1.00 10.52 H new ATOM 231 N VAL A 15 -7.414 18.167 -14.737 1.00 15.24 N ATOM 232 CA VAL A 15 -8.622 18.602 -15.428 1.00 13.22 C ATOM 233 C VAL A 15 -8.379 19.895 -16.198 1.00 52.03 C ATOM 234 O VAL A 15 -7.570 20.728 -15.792 1.00 21.02 O ATOM 235 CB VAL A 15 -9.787 18.816 -14.443 1.00 23.25 C ATOM 236 CG1 VAL A 15 -11.056 19.197 -15.190 1.00 23.42 C ATOM 237 CG2 VAL A 15 -10.008 17.568 -13.601 1.00 62.00 C ATOM 0 H VAL A 15 -7.101 18.796 -13.998 1.00 15.24 H new ATOM 0 HA VAL A 15 -8.888 17.810 -16.128 1.00 13.22 H new ATOM 0 HB VAL A 15 -9.528 19.637 -13.774 1.00 23.25 H new ATOM 0 HG11 VAL A 15 -11.868 19.344 -14.477 1.00 23.42 H new ATOM 0 HG12 VAL A 15 -10.888 20.120 -15.745 1.00 23.42 H new ATOM 0 HG13 VAL A 15 -11.323 18.400 -15.884 1.00 23.42 H new ATOM 0 HG21 VAL A 15 -10.835 17.737 -12.911 1.00 62.00 H new ATOM 0 HG22 VAL A 15 -10.245 16.727 -14.252 1.00 62.00 H new ATOM 0 HG23 VAL A 15 -9.103 17.345 -13.036 1.00 62.00 H new ATOM 247 N GLU A 16 -9.086 20.055 -17.313 1.00 12.44 N ATOM 248 CA GLU A 16 -8.946 21.248 -18.140 1.00 73.33 C ATOM 249 C GLU A 16 -9.405 22.491 -17.385 1.00 15.53 C ATOM 250 O GLU A 16 -8.600 23.362 -17.054 1.00 14.04 O ATOM 251 CB GLU A 16 -9.752 21.096 -19.432 1.00 42.14 C ATOM 252 CG GLU A 16 -8.889 20.959 -20.675 1.00 44.33 C ATOM 253 CD GLU A 16 -8.605 22.293 -21.338 1.00 41.32 C ATOM 254 OE1 GLU A 16 -8.306 23.265 -20.613 1.00 64.14 O ATOM 255 OE2 GLU A 16 -8.682 22.365 -22.583 1.00 32.13 O ATOM 0 H GLU A 16 -9.760 19.375 -17.664 1.00 12.44 H new ATOM 0 HA GLU A 16 -7.891 21.365 -18.389 1.00 73.33 H new ATOM 0 HB2 GLU A 16 -10.395 20.220 -19.348 1.00 42.14 H new ATOM 0 HB3 GLU A 16 -10.405 21.961 -19.547 1.00 42.14 H new ATOM 0 HG2 GLU A 16 -7.946 20.483 -20.407 1.00 44.33 H new ATOM 0 HG3 GLU A 16 -9.387 20.302 -21.388 1.00 44.33 H new ATOM 262 N ARG A 17 -10.705 22.567 -17.116 1.00 42.31 N ATOM 263 CA ARG A 17 -11.272 23.704 -16.402 1.00 12.54 C ATOM 264 C ARG A 17 -12.752 23.478 -16.107 1.00 31.01 C ATOM 265 O ARG A 17 -13.379 22.585 -16.678 1.00 52.42 O ATOM 266 CB ARG A 17 -11.094 24.987 -17.217 1.00 21.32 C ATOM 267 CG ARG A 17 -12.243 25.266 -18.172 1.00 21.12 C ATOM 268 CD ARG A 17 -12.451 24.116 -19.145 1.00 21.45 C ATOM 269 NE ARG A 17 -12.775 24.587 -20.488 1.00 63.14 N ATOM 270 CZ ARG A 17 -13.913 25.197 -20.799 1.00 0.12 C ATOM 271 NH1 ARG A 17 -14.831 25.409 -19.866 1.00 11.30 N ATOM 272 NH2 ARG A 17 -14.135 25.597 -22.044 1.00 44.14 N ATOM 0 H ARG A 17 -11.385 21.854 -17.382 1.00 42.31 H new ATOM 0 HA ARG A 17 -10.742 23.807 -15.455 1.00 12.54 H new ATOM 0 HB2 ARG A 17 -10.988 25.830 -16.534 1.00 21.32 H new ATOM 0 HB3 ARG A 17 -10.167 24.920 -17.787 1.00 21.32 H new ATOM 0 HG2 ARG A 17 -13.158 25.433 -17.603 1.00 21.12 H new ATOM 0 HG3 ARG A 17 -12.042 26.182 -18.727 1.00 21.12 H new ATOM 0 HD2 ARG A 17 -11.549 23.506 -19.183 1.00 21.45 H new ATOM 0 HD3 ARG A 17 -13.254 23.475 -18.782 1.00 21.45 H new ATOM 0 HE ARG A 17 -12.089 24.439 -21.229 1.00 63.14 H new ATOM 0 HH11 ARG A 17 -14.664 25.103 -18.907 1.00 11.30 H new ATOM 0 HH12 ARG A 17 -15.704 25.878 -20.107 1.00 11.30 H new ATOM 0 HH21 ARG A 17 -13.431 25.436 -22.764 1.00 44.14 H new ATOM 0 HH22 ARG A 17 -15.010 26.065 -22.281 1.00 44.14 H new ATOM 286 N ILE A 18 -13.303 24.291 -15.212 1.00 50.11 N ATOM 287 CA ILE A 18 -14.709 24.180 -14.842 1.00 65.54 C ATOM 288 C ILE A 18 -15.614 24.649 -15.976 1.00 10.21 C ATOM 289 O ILE A 18 -15.657 25.836 -16.300 1.00 2.24 O ATOM 290 CB ILE A 18 -15.024 24.997 -13.576 1.00 12.01 C ATOM 291 CG1 ILE A 18 -14.060 24.624 -12.448 1.00 62.12 C ATOM 292 CG2 ILE A 18 -16.465 24.770 -13.145 1.00 14.14 C ATOM 293 CD1 ILE A 18 -14.490 23.404 -11.664 1.00 60.11 C ATOM 0 H ILE A 18 -12.797 25.034 -14.730 1.00 50.11 H new ATOM 0 HA ILE A 18 -14.900 23.126 -14.640 1.00 65.54 H new ATOM 0 HB ILE A 18 -14.895 26.055 -13.803 1.00 12.01 H new ATOM 0 HG12 ILE A 18 -13.071 24.444 -12.870 1.00 62.12 H new ATOM 0 HG13 ILE A 18 -13.967 25.469 -11.766 1.00 62.12 H new ATOM 0 HG21 ILE A 18 -16.673 25.354 -12.249 1.00 14.14 H new ATOM 0 HG22 ILE A 18 -17.137 25.081 -13.945 1.00 14.14 H new ATOM 0 HG23 ILE A 18 -16.619 23.712 -12.932 1.00 14.14 H new ATOM 0 HD11 ILE A 18 -13.760 23.199 -10.881 1.00 60.11 H new ATOM 0 HD12 ILE A 18 -15.465 23.587 -11.212 1.00 60.11 H new ATOM 0 HD13 ILE A 18 -14.556 22.546 -12.333 1.00 60.11 H new ATOM 305 N VAL A 19 -16.339 23.710 -16.575 1.00 63.32 N ATOM 306 CA VAL A 19 -17.247 24.027 -17.671 1.00 45.20 C ATOM 307 C VAL A 19 -18.307 25.031 -17.233 1.00 2.31 C ATOM 308 O VAL A 19 -18.490 26.071 -17.865 1.00 52.53 O ATOM 309 CB VAL A 19 -17.943 22.762 -18.207 1.00 52.51 C ATOM 310 CG1 VAL A 19 -18.678 23.066 -19.504 1.00 14.54 C ATOM 311 CG2 VAL A 19 -16.933 21.643 -18.407 1.00 73.42 C ATOM 0 H VAL A 19 -16.315 22.723 -16.320 1.00 63.32 H new ATOM 0 HA VAL A 19 -16.643 24.464 -18.466 1.00 45.20 H new ATOM 0 HB VAL A 19 -18.676 22.432 -17.471 1.00 52.51 H new ATOM 0 HG11 VAL A 19 -19.164 22.161 -19.868 1.00 14.54 H new ATOM 0 HG12 VAL A 19 -19.430 23.834 -19.324 1.00 14.54 H new ATOM 0 HG13 VAL A 19 -17.967 23.421 -20.250 1.00 14.54 H new ATOM 0 HG21 VAL A 19 -17.442 20.757 -18.786 1.00 73.42 H new ATOM 0 HG22 VAL A 19 -16.175 21.961 -19.123 1.00 73.42 H new ATOM 0 HG23 VAL A 19 -16.457 21.408 -17.455 1.00 73.42 H new ATOM 321 N ARG A 20 -19.002 24.713 -16.146 1.00 73.31 N ATOM 322 CA ARG A 20 -20.045 25.587 -15.623 1.00 74.32 C ATOM 323 C ARG A 20 -20.435 25.180 -14.205 1.00 2.31 C ATOM 324 O ARG A 20 -19.794 24.325 -13.594 1.00 63.12 O ATOM 325 CB ARG A 20 -21.275 25.549 -16.532 1.00 74.50 C ATOM 326 CG ARG A 20 -21.890 24.165 -16.667 1.00 71.01 C ATOM 327 CD ARG A 20 -21.398 23.457 -17.920 1.00 33.23 C ATOM 328 NE ARG A 20 -22.502 22.967 -18.740 1.00 73.45 N ATOM 329 CZ ARG A 20 -23.230 23.745 -19.534 1.00 33.24 C ATOM 330 NH1 ARG A 20 -22.972 25.043 -19.613 1.00 31.22 N ATOM 331 NH2 ARG A 20 -24.219 23.225 -20.250 1.00 23.41 N ATOM 0 H ARG A 20 -18.862 23.856 -15.610 1.00 73.31 H new ATOM 0 HA ARG A 20 -19.652 26.604 -15.596 1.00 74.32 H new ATOM 0 HB2 ARG A 20 -22.027 26.235 -16.141 1.00 74.50 H new ATOM 0 HB3 ARG A 20 -20.996 25.912 -17.521 1.00 74.50 H new ATOM 0 HG2 ARG A 20 -21.642 23.568 -15.789 1.00 71.01 H new ATOM 0 HG3 ARG A 20 -22.976 24.250 -16.698 1.00 71.01 H new ATOM 0 HD2 ARG A 20 -20.786 24.142 -18.507 1.00 33.23 H new ATOM 0 HD3 ARG A 20 -20.758 22.621 -17.637 1.00 33.23 H new ATOM 0 HE ARG A 20 -22.727 21.973 -18.701 1.00 73.45 H new ATOM 0 HH11 ARG A 20 -22.213 25.447 -19.064 1.00 31.22 H new ATOM 0 HH12 ARG A 20 -23.532 25.638 -20.223 1.00 31.22 H new ATOM 0 HH21 ARG A 20 -24.421 22.227 -20.191 1.00 23.41 H new ATOM 0 HH22 ARG A 20 -24.777 23.823 -20.859 1.00 23.41 H new ATOM 345 N LYS A 21 -21.489 25.800 -13.686 1.00 75.10 N ATOM 346 CA LYS A 21 -21.966 25.503 -12.340 1.00 50.43 C ATOM 347 C LYS A 21 -23.437 25.879 -12.189 1.00 3.01 C ATOM 348 O LYS A 21 -23.964 26.688 -12.953 1.00 5.12 O ATOM 349 CB LYS A 21 -21.128 26.254 -11.303 1.00 44.12 C ATOM 350 CG LYS A 21 -21.381 27.752 -11.285 1.00 64.41 C ATOM 351 CD LYS A 21 -20.723 28.414 -10.086 1.00 32.22 C ATOM 352 CE LYS A 21 -21.595 29.520 -9.512 1.00 75.20 C ATOM 353 NZ LYS A 21 -21.906 30.564 -10.527 1.00 53.12 N ATOM 0 H LYS A 21 -22.030 26.512 -14.177 1.00 75.10 H new ATOM 0 HA LYS A 21 -21.864 24.431 -12.173 1.00 50.43 H new ATOM 0 HB2 LYS A 21 -21.339 25.847 -10.314 1.00 44.12 H new ATOM 0 HB3 LYS A 21 -20.072 26.075 -11.503 1.00 44.12 H new ATOM 0 HG2 LYS A 21 -20.998 28.198 -12.203 1.00 64.41 H new ATOM 0 HG3 LYS A 21 -22.454 27.940 -11.262 1.00 64.41 H new ATOM 0 HD2 LYS A 21 -20.529 27.666 -9.317 1.00 32.22 H new ATOM 0 HD3 LYS A 21 -19.758 28.826 -10.381 1.00 32.22 H new ATOM 0 HE2 LYS A 21 -22.524 29.092 -9.135 1.00 75.20 H new ATOM 0 HE3 LYS A 21 -21.088 29.978 -8.663 1.00 75.20 H new ATOM 0 HZ1 LYS A 21 -22.658 31.186 -10.166 1.00 53.12 H new ATOM 0 HZ2 LYS A 21 -21.053 31.127 -10.718 1.00 53.12 H new ATOM 0 HZ3 LYS A 21 -22.225 30.109 -11.406 1.00 53.12 H new ATOM 367 N LYS A 22 -24.095 25.288 -11.197 1.00 65.55 N ATOM 368 CA LYS A 22 -25.504 25.562 -10.943 1.00 61.52 C ATOM 369 C LYS A 22 -25.947 24.950 -9.618 1.00 24.41 C ATOM 370 O LYS A 22 -25.469 23.885 -9.225 1.00 62.11 O ATOM 371 CB LYS A 22 -26.365 25.013 -12.083 1.00 50.22 C ATOM 372 CG LYS A 22 -26.515 23.502 -12.060 1.00 23.12 C ATOM 373 CD LYS A 22 -27.897 23.086 -11.585 1.00 61.33 C ATOM 374 CE LYS A 22 -28.706 22.456 -12.709 1.00 24.31 C ATOM 375 NZ LYS A 22 -30.094 22.131 -12.278 1.00 62.15 N ATOM 0 H LYS A 22 -23.674 24.616 -10.556 1.00 65.55 H new ATOM 0 HA LYS A 22 -25.633 26.643 -10.886 1.00 61.52 H new ATOM 0 HB2 LYS A 22 -27.354 25.468 -12.032 1.00 50.22 H new ATOM 0 HB3 LYS A 22 -25.926 25.311 -13.035 1.00 50.22 H new ATOM 0 HG2 LYS A 22 -26.337 23.103 -13.058 1.00 23.12 H new ATOM 0 HG3 LYS A 22 -25.759 23.070 -11.404 1.00 23.12 H new ATOM 0 HD2 LYS A 22 -27.802 22.378 -10.762 1.00 61.33 H new ATOM 0 HD3 LYS A 22 -28.427 23.956 -11.197 1.00 61.33 H new ATOM 0 HE2 LYS A 22 -28.740 23.138 -13.559 1.00 24.31 H new ATOM 0 HE3 LYS A 22 -28.209 21.547 -13.049 1.00 24.31 H new ATOM 0 HZ1 LYS A 22 -30.613 21.704 -13.072 1.00 62.15 H new ATOM 0 HZ2 LYS A 22 -30.063 21.461 -11.484 1.00 62.15 H new ATOM 0 HZ3 LYS A 22 -30.577 23.002 -11.977 1.00 62.15 H new ATOM 389 N ILE A 23 -26.862 25.628 -8.935 1.00 11.23 N ATOM 390 CA ILE A 23 -27.370 25.149 -7.655 1.00 54.24 C ATOM 391 C ILE A 23 -28.828 24.715 -7.771 1.00 25.43 C ATOM 392 O ILE A 23 -29.586 25.255 -8.575 1.00 52.54 O ATOM 393 CB ILE A 23 -27.253 26.229 -6.563 1.00 73.32 C ATOM 394 CG1 ILE A 23 -28.441 27.191 -6.637 1.00 63.20 C ATOM 395 CG2 ILE A 23 -25.941 26.986 -6.705 1.00 74.15 C ATOM 396 CD1 ILE A 23 -29.583 26.813 -5.720 1.00 25.13 C ATOM 0 H ILE A 23 -27.267 26.511 -9.246 1.00 11.23 H new ATOM 0 HA ILE A 23 -26.759 24.292 -7.373 1.00 54.24 H new ATOM 0 HB ILE A 23 -27.265 25.742 -5.588 1.00 73.32 H new ATOM 0 HG12 ILE A 23 -28.101 28.195 -6.385 1.00 63.20 H new ATOM 0 HG13 ILE A 23 -28.806 27.226 -7.663 1.00 63.20 H new ATOM 0 HG21 ILE A 23 -25.873 27.746 -5.926 1.00 74.15 H new ATOM 0 HG22 ILE A 23 -25.107 26.291 -6.607 1.00 74.15 H new ATOM 0 HG23 ILE A 23 -25.901 27.465 -7.683 1.00 74.15 H new ATOM 0 HD11 ILE A 23 -30.390 27.539 -5.825 1.00 25.13 H new ATOM 0 HD12 ILE A 23 -29.950 25.822 -5.985 1.00 25.13 H new ATOM 0 HD13 ILE A 23 -29.234 26.806 -4.688 1.00 25.13 H new ATOM 408 N VAL A 24 -29.213 23.735 -6.959 1.00 72.13 N ATOM 409 CA VAL A 24 -30.581 23.229 -6.968 1.00 4.04 C ATOM 410 C VAL A 24 -31.092 23.004 -5.549 1.00 50.11 C ATOM 411 O VAL A 24 -30.479 22.280 -4.764 1.00 2.21 O ATOM 412 CB VAL A 24 -30.686 21.909 -7.755 1.00 11.41 C ATOM 413 CG1 VAL A 24 -31.989 21.857 -8.537 1.00 73.14 C ATOM 414 CG2 VAL A 24 -29.491 21.745 -8.682 1.00 11.52 C ATOM 0 H VAL A 24 -28.598 23.276 -6.287 1.00 72.13 H new ATOM 0 HA VAL A 24 -31.195 23.985 -7.457 1.00 4.04 H new ATOM 0 HB VAL A 24 -30.682 21.081 -7.046 1.00 11.41 H new ATOM 0 HG11 VAL A 24 -32.046 20.918 -9.087 1.00 73.14 H new ATOM 0 HG12 VAL A 24 -32.830 21.925 -7.847 1.00 73.14 H new ATOM 0 HG13 VAL A 24 -32.026 22.691 -9.238 1.00 73.14 H new ATOM 0 HG21 VAL A 24 -29.582 20.807 -9.230 1.00 11.52 H new ATOM 0 HG22 VAL A 24 -29.461 22.576 -9.387 1.00 11.52 H new ATOM 0 HG23 VAL A 24 -28.573 21.734 -8.094 1.00 11.52 H new ATOM 424 N HIS A 25 -32.220 23.629 -5.227 1.00 31.04 N ATOM 425 CA HIS A 25 -32.816 23.496 -3.902 1.00 3.23 C ATOM 426 C HIS A 25 -31.820 23.894 -2.816 1.00 70.22 C ATOM 427 O HIS A 25 -31.928 23.457 -1.671 1.00 43.01 O ATOM 428 CB HIS A 25 -33.290 22.061 -3.674 1.00 61.41 C ATOM 429 CG HIS A 25 -34.615 21.970 -2.982 1.00 52.13 C ATOM 430 ND1 HIS A 25 -35.806 22.303 -3.591 1.00 54.55 N ATOM 431 CD2 HIS A 25 -34.933 21.579 -1.726 1.00 12.30 C ATOM 432 CE1 HIS A 25 -36.800 22.123 -2.739 1.00 43.33 C ATOM 433 NE2 HIS A 25 -36.297 21.684 -1.600 1.00 24.21 N ATOM 0 H HIS A 25 -32.740 24.232 -5.865 1.00 31.04 H new ATOM 0 HA HIS A 25 -33.674 24.166 -3.848 1.00 3.23 H new ATOM 0 HB2 HIS A 25 -33.356 21.552 -4.636 1.00 61.41 H new ATOM 0 HB3 HIS A 25 -32.544 21.530 -3.083 1.00 61.41 H new ATOM 0 HD2 HIS A 25 -34.243 21.246 -0.965 1.00 12.30 H new ATOM 0 HE1 HIS A 25 -37.846 22.304 -2.940 1.00 43.33 H new ATOM 0 HE2 HIS A 25 -36.834 21.459 -0.762 1.00 24.21 H new ATOM 441 N GLY A 26 -30.850 24.725 -3.185 1.00 1.00 N ATOM 442 CA GLY A 26 -29.849 25.166 -2.232 1.00 1.55 C ATOM 443 C GLY A 26 -28.595 24.316 -2.272 1.00 22.10 C ATOM 444 O GLY A 26 -27.732 24.428 -1.402 1.00 53.51 O ATOM 0 H GLY A 26 -30.740 25.101 -4.127 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -29.587 26.204 -2.439 1.00 1.55 H new ATOM 0 HA3 GLY A 26 -30.271 25.138 -1.227 1.00 1.55 H new ATOM 448 N ASN A 27 -28.494 23.461 -3.285 1.00 20.15 N ATOM 449 CA ASN A 27 -27.337 22.586 -3.434 1.00 21.25 C ATOM 450 C ASN A 27 -26.506 22.984 -4.650 1.00 13.54 C ATOM 451 O ASN A 27 -26.895 22.733 -5.791 1.00 2.31 O ATOM 452 CB ASN A 27 -27.786 21.129 -3.564 1.00 55.14 C ATOM 453 CG ASN A 27 -28.468 20.619 -2.309 1.00 41.41 C ATOM 454 OD1 ASN A 27 -28.974 21.401 -1.503 1.00 63.42 O ATOM 455 ND2 ASN A 27 -28.484 19.303 -2.138 1.00 23.41 N ATOM 0 H ASN A 27 -29.199 23.356 -4.014 1.00 20.15 H new ATOM 0 HA ASN A 27 -26.718 22.690 -2.543 1.00 21.25 H new ATOM 0 HB2 ASN A 27 -28.469 21.036 -4.408 1.00 55.14 H new ATOM 0 HB3 ASN A 27 -26.921 20.503 -3.784 1.00 55.14 H new ATOM 0 HD21 ASN A 27 -28.928 18.901 -1.312 1.00 23.41 H new ATOM 0 HD22 ASN A 27 -28.052 18.693 -2.832 1.00 23.41 H new ATOM 462 N THR A 28 -25.359 23.608 -4.398 1.00 32.55 N ATOM 463 CA THR A 28 -24.473 24.042 -5.470 1.00 74.34 C ATOM 464 C THR A 28 -23.825 22.849 -6.165 1.00 12.44 C ATOM 465 O THR A 28 -23.536 21.833 -5.533 1.00 52.11 O ATOM 466 CB THR A 28 -23.369 24.977 -4.943 1.00 40.12 C ATOM 467 OG1 THR A 28 -23.895 25.827 -3.917 1.00 62.53 O ATOM 468 CG2 THR A 28 -22.797 25.826 -6.068 1.00 3.50 C ATOM 0 H THR A 28 -25.022 23.824 -3.460 1.00 32.55 H new ATOM 0 HA THR A 28 -25.088 24.587 -6.187 1.00 74.34 H new ATOM 0 HB THR A 28 -22.569 24.362 -4.530 1.00 40.12 H new ATOM 0 HG1 THR A 28 -23.156 26.258 -3.439 1.00 62.53 H new ATOM 0 HG21 THR A 28 -22.019 26.479 -5.672 1.00 3.50 H new ATOM 0 HG22 THR A 28 -22.371 25.177 -6.833 1.00 3.50 H new ATOM 0 HG23 THR A 28 -23.590 26.432 -6.506 1.00 3.50 H new ATOM 476 N SER A 29 -23.599 22.981 -7.468 1.00 25.32 N ATOM 477 CA SER A 29 -22.987 21.912 -8.249 1.00 4.03 C ATOM 478 C SER A 29 -22.056 22.482 -9.315 1.00 12.53 C ATOM 479 O SER A 29 -22.441 23.364 -10.083 1.00 40.31 O ATOM 480 CB SER A 29 -24.066 21.050 -8.906 1.00 60.21 C ATOM 481 OG SER A 29 -25.069 20.689 -7.973 1.00 13.14 O ATOM 0 H SER A 29 -23.830 23.817 -8.005 1.00 25.32 H new ATOM 0 HA SER A 29 -22.399 21.292 -7.572 1.00 4.03 H new ATOM 0 HB2 SER A 29 -24.516 21.595 -9.736 1.00 60.21 H new ATOM 0 HB3 SER A 29 -23.613 20.151 -9.324 1.00 60.21 H new ATOM 0 HG SER A 29 -25.748 20.140 -8.418 1.00 13.14 H new ATOM 487 N TYR A 30 -20.830 21.973 -9.355 1.00 32.13 N ATOM 488 CA TYR A 30 -19.843 22.432 -10.324 1.00 42.32 C ATOM 489 C TYR A 30 -19.624 21.388 -11.415 1.00 44.50 C ATOM 490 O TYR A 30 -19.219 20.259 -11.138 1.00 21.43 O ATOM 491 CB TYR A 30 -18.518 22.743 -9.626 1.00 24.50 C ATOM 492 CG TYR A 30 -18.470 24.119 -9.002 1.00 22.23 C ATOM 493 CD1 TYR A 30 -19.477 24.552 -8.148 1.00 61.33 C ATOM 494 CD2 TYR A 30 -17.416 24.986 -9.265 1.00 34.02 C ATOM 495 CE1 TYR A 30 -19.437 25.809 -7.576 1.00 75.45 C ATOM 496 CE2 TYR A 30 -17.368 26.244 -8.696 1.00 41.23 C ATOM 497 CZ TYR A 30 -18.381 26.651 -7.853 1.00 60.03 C ATOM 498 OH TYR A 30 -18.337 27.903 -7.285 1.00 13.25 O ATOM 0 H TYR A 30 -20.496 21.242 -8.727 1.00 32.13 H new ATOM 0 HA TYR A 30 -20.223 23.342 -10.788 1.00 42.32 H new ATOM 0 HB2 TYR A 30 -18.341 21.996 -8.852 1.00 24.50 H new ATOM 0 HB3 TYR A 30 -17.707 22.652 -10.348 1.00 24.50 H new ATOM 0 HD1 TYR A 30 -20.305 23.895 -7.928 1.00 61.33 H new ATOM 0 HD2 TYR A 30 -16.621 24.671 -9.925 1.00 34.02 H new ATOM 0 HE1 TYR A 30 -20.229 26.130 -6.915 1.00 75.45 H new ATOM 0 HE2 TYR A 30 -16.541 26.905 -8.910 1.00 41.23 H new ATOM 0 HH TYR A 30 -17.459 28.045 -6.874 1.00 13.25 H new ATOM 508 N LEU A 31 -19.893 21.775 -12.657 1.00 52.01 N ATOM 509 CA LEU A 31 -19.725 20.874 -13.792 1.00 53.22 C ATOM 510 C LEU A 31 -18.361 21.070 -14.446 1.00 12.12 C ATOM 511 O LEU A 31 -18.122 22.073 -15.119 1.00 23.22 O ATOM 512 CB LEU A 31 -20.834 21.105 -14.820 1.00 52.43 C ATOM 513 CG LEU A 31 -20.893 20.110 -15.979 1.00 73.51 C ATOM 514 CD1 LEU A 31 -20.875 18.681 -15.457 1.00 44.31 C ATOM 515 CD2 LEU A 31 -22.132 20.353 -16.829 1.00 32.34 C ATOM 0 H LEU A 31 -20.228 22.706 -12.904 1.00 52.01 H new ATOM 0 HA LEU A 31 -19.787 19.850 -13.424 1.00 53.22 H new ATOM 0 HB2 LEU A 31 -21.792 21.085 -14.301 1.00 52.43 H new ATOM 0 HB3 LEU A 31 -20.716 22.107 -15.233 1.00 52.43 H new ATOM 0 HG LEU A 31 -20.013 20.258 -16.605 1.00 73.51 H new ATOM 0 HD11 LEU A 31 -20.918 17.987 -16.296 1.00 44.31 H new ATOM 0 HD12 LEU A 31 -19.958 18.512 -14.892 1.00 44.31 H new ATOM 0 HD13 LEU A 31 -21.736 18.520 -14.808 1.00 44.31 H new ATOM 0 HD21 LEU A 31 -22.157 19.635 -17.649 1.00 32.34 H new ATOM 0 HD22 LEU A 31 -23.024 20.233 -16.214 1.00 32.34 H new ATOM 0 HD23 LEU A 31 -22.103 21.365 -17.233 1.00 32.34 H new ATOM 527 N VAL A 32 -17.470 20.104 -14.245 1.00 11.41 N ATOM 528 CA VAL A 32 -16.131 20.169 -14.817 1.00 63.23 C ATOM 529 C VAL A 32 -15.900 19.030 -15.804 1.00 44.03 C ATOM 530 O VAL A 32 -16.365 17.909 -15.597 1.00 12.32 O ATOM 531 CB VAL A 32 -15.049 20.112 -13.722 1.00 70.03 C ATOM 532 CG1 VAL A 32 -14.978 18.720 -13.113 1.00 15.11 C ATOM 533 CG2 VAL A 32 -13.698 20.525 -14.287 1.00 31.04 C ATOM 0 H VAL A 32 -17.652 19.267 -13.690 1.00 11.41 H new ATOM 0 HA VAL A 32 -16.056 21.122 -15.341 1.00 63.23 H new ATOM 0 HB VAL A 32 -15.318 20.814 -12.933 1.00 70.03 H new ATOM 0 HG11 VAL A 32 -14.208 18.699 -12.342 1.00 15.11 H new ATOM 0 HG12 VAL A 32 -15.942 18.467 -12.671 1.00 15.11 H new ATOM 0 HG13 VAL A 32 -14.733 17.995 -13.889 1.00 15.11 H new ATOM 0 HG21 VAL A 32 -12.945 20.479 -13.500 1.00 31.04 H new ATOM 0 HG22 VAL A 32 -13.420 19.849 -15.095 1.00 31.04 H new ATOM 0 HG23 VAL A 32 -13.760 21.543 -14.671 1.00 31.04 H new ATOM 543 N LYS A 33 -15.177 19.324 -16.880 1.00 3.14 N ATOM 544 CA LYS A 33 -14.881 18.325 -17.900 1.00 3.32 C ATOM 545 C LYS A 33 -13.607 17.559 -17.557 1.00 73.44 C ATOM 546 O LYS A 33 -13.098 17.651 -16.441 1.00 22.34 O ATOM 547 CB LYS A 33 -14.734 18.993 -19.269 1.00 73.11 C ATOM 548 CG LYS A 33 -13.640 20.045 -19.319 1.00 21.02 C ATOM 549 CD LYS A 33 -13.593 20.737 -20.671 1.00 23.02 C ATOM 550 CE LYS A 33 -14.665 21.809 -20.786 1.00 14.22 C ATOM 551 NZ LYS A 33 -14.632 22.487 -22.112 1.00 34.25 N ATOM 0 H LYS A 33 -14.785 20.247 -17.068 1.00 3.14 H new ATOM 0 HA LYS A 33 -15.711 17.619 -17.934 1.00 3.32 H new ATOM 0 HB2 LYS A 33 -14.525 18.228 -20.017 1.00 73.11 H new ATOM 0 HB3 LYS A 33 -15.683 19.455 -19.542 1.00 73.11 H new ATOM 0 HG2 LYS A 33 -13.809 20.785 -18.536 1.00 21.02 H new ATOM 0 HG3 LYS A 33 -12.676 19.579 -19.114 1.00 21.02 H new ATOM 0 HD2 LYS A 33 -12.611 21.186 -20.817 1.00 23.02 H new ATOM 0 HD3 LYS A 33 -13.727 20.000 -21.463 1.00 23.02 H new ATOM 0 HE2 LYS A 33 -15.646 21.359 -20.632 1.00 14.22 H new ATOM 0 HE3 LYS A 33 -14.526 22.548 -19.997 1.00 14.22 H new ATOM 0 HZ1 LYS A 33 -15.399 23.187 -22.163 1.00 34.25 H new ATOM 0 HZ2 LYS A 33 -13.717 22.966 -22.234 1.00 34.25 H new ATOM 0 HZ3 LYS A 33 -14.756 21.781 -22.866 1.00 34.25 H new ATOM 565 N TRP A 34 -13.098 16.805 -18.525 1.00 34.51 N ATOM 566 CA TRP A 34 -11.883 16.023 -18.325 1.00 51.13 C ATOM 567 C TRP A 34 -10.904 16.237 -19.474 1.00 63.12 C ATOM 568 O TRP A 34 -10.939 15.520 -20.475 1.00 4.33 O ATOM 569 CB TRP A 34 -12.223 14.537 -18.198 1.00 43.21 C ATOM 570 CG TRP A 34 -13.572 14.286 -17.597 1.00 75.31 C ATOM 571 CD1 TRP A 34 -14.020 14.712 -16.379 1.00 65.30 C ATOM 572 CD2 TRP A 34 -14.649 13.549 -18.187 1.00 31.44 C ATOM 573 NE1 TRP A 34 -15.309 14.284 -16.176 1.00 33.23 N ATOM 574 CE2 TRP A 34 -15.719 13.569 -17.270 1.00 43.02 C ATOM 575 CE3 TRP A 34 -14.815 12.875 -19.400 1.00 5.32 C ATOM 576 CZ2 TRP A 34 -16.934 12.941 -17.531 1.00 23.14 C ATOM 577 CZ3 TRP A 34 -16.021 12.252 -19.657 1.00 1.23 C ATOM 578 CH2 TRP A 34 -17.068 12.289 -18.726 1.00 60.02 C ATOM 0 H TRP A 34 -13.507 16.719 -19.455 1.00 34.51 H new ATOM 0 HA TRP A 34 -11.411 16.360 -17.402 1.00 51.13 H new ATOM 0 HB2 TRP A 34 -12.182 14.076 -19.185 1.00 43.21 H new ATOM 0 HB3 TRP A 34 -11.464 14.049 -17.586 1.00 43.21 H new ATOM 0 HD1 TRP A 34 -13.445 15.299 -15.678 1.00 65.30 H new ATOM 0 HE1 TRP A 34 -15.870 14.469 -15.345 1.00 33.23 H new ATOM 0 HE3 TRP A 34 -14.014 12.842 -20.124 1.00 5.32 H new ATOM 0 HZ2 TRP A 34 -17.742 12.968 -16.815 1.00 23.14 H new ATOM 0 HZ3 TRP A 34 -16.159 11.728 -20.591 1.00 1.23 H new ATOM 0 HH2 TRP A 34 -17.999 11.793 -18.957 1.00 60.02 H new ATOM 589 N LYS A 35 -10.030 17.227 -19.325 1.00 31.22 N ATOM 590 CA LYS A 35 -9.039 17.534 -20.349 1.00 52.52 C ATOM 591 C LYS A 35 -9.703 17.717 -21.711 1.00 3.15 C ATOM 592 O LYS A 35 -9.136 17.355 -22.741 1.00 34.12 O ATOM 593 CB LYS A 35 -7.992 16.421 -20.426 1.00 1.23 C ATOM 594 CG LYS A 35 -6.563 16.933 -20.473 1.00 64.03 C ATOM 595 CD LYS A 35 -5.573 15.802 -20.696 1.00 5.10 C ATOM 596 CE LYS A 35 -4.706 16.053 -21.920 1.00 44.22 C ATOM 597 NZ LYS A 35 -4.278 14.782 -22.567 1.00 51.04 N ATOM 0 H LYS A 35 -9.988 17.831 -18.504 1.00 31.22 H new ATOM 0 HA LYS A 35 -8.548 18.468 -20.075 1.00 52.52 H new ATOM 0 HB2 LYS A 35 -8.106 15.766 -19.562 1.00 1.23 H new ATOM 0 HB3 LYS A 35 -8.182 15.816 -21.313 1.00 1.23 H new ATOM 0 HG2 LYS A 35 -6.465 17.667 -21.273 1.00 64.03 H new ATOM 0 HG3 LYS A 35 -6.328 17.445 -19.540 1.00 64.03 H new ATOM 0 HD2 LYS A 35 -4.939 15.693 -19.816 1.00 5.10 H new ATOM 0 HD3 LYS A 35 -6.113 14.863 -20.818 1.00 5.10 H new ATOM 0 HE2 LYS A 35 -5.259 16.658 -22.639 1.00 44.22 H new ATOM 0 HE3 LYS A 35 -3.826 16.627 -21.630 1.00 44.22 H new ATOM 0 HZ1 LYS A 35 -3.689 14.996 -23.397 1.00 51.04 H new ATOM 0 HZ2 LYS A 35 -3.729 14.215 -21.890 1.00 51.04 H new ATOM 0 HZ3 LYS A 35 -5.117 14.245 -22.867 1.00 51.04 H new ATOM 611 N ASN A 36 -10.906 18.282 -21.706 1.00 45.45 N ATOM 612 CA ASN A 36 -11.645 18.514 -22.942 1.00 34.12 C ATOM 613 C ASN A 36 -12.023 17.193 -23.605 1.00 54.02 C ATOM 614 O ASN A 36 -12.149 17.114 -24.827 1.00 75.14 O ATOM 615 CB ASN A 36 -10.815 19.363 -23.907 1.00 31.14 C ATOM 616 CG ASN A 36 -11.415 20.738 -24.129 1.00 65.03 C ATOM 617 OD1 ASN A 36 -11.970 21.020 -25.191 1.00 15.52 O ATOM 618 ND2 ASN A 36 -11.303 21.601 -23.126 1.00 55.13 N ATOM 0 H ASN A 36 -11.389 18.587 -20.861 1.00 45.45 H new ATOM 0 HA ASN A 36 -12.560 19.051 -22.693 1.00 34.12 H new ATOM 0 HB2 ASN A 36 -9.804 19.470 -23.515 1.00 31.14 H new ATOM 0 HB3 ASN A 36 -10.733 18.846 -24.863 1.00 31.14 H new ATOM 0 HD21 ASN A 36 -11.686 22.542 -23.218 1.00 55.13 H new ATOM 0 HD22 ASN A 36 -10.834 21.323 -22.264 1.00 55.13 H new ATOM 625 N TYR A 37 -12.203 16.159 -22.791 1.00 71.12 N ATOM 626 CA TYR A 37 -12.565 14.841 -23.299 1.00 20.34 C ATOM 627 C TYR A 37 -13.988 14.840 -23.848 1.00 13.21 C ATOM 628 O TYR A 37 -14.205 14.632 -25.042 1.00 0.43 O ATOM 629 CB TYR A 37 -12.433 13.792 -22.193 1.00 64.43 C ATOM 630 CG TYR A 37 -12.858 12.405 -22.620 1.00 50.05 C ATOM 631 CD1 TYR A 37 -14.194 12.025 -22.584 1.00 52.25 C ATOM 632 CD2 TYR A 37 -11.924 11.474 -23.059 1.00 52.51 C ATOM 633 CE1 TYR A 37 -14.588 10.759 -22.973 1.00 44.21 C ATOM 634 CE2 TYR A 37 -12.309 10.207 -23.451 1.00 23.10 C ATOM 635 CZ TYR A 37 -13.641 9.854 -23.406 1.00 33.10 C ATOM 636 OH TYR A 37 -14.028 8.592 -23.794 1.00 72.32 O ATOM 0 H TYR A 37 -12.104 16.208 -21.777 1.00 71.12 H new ATOM 0 HA TYR A 37 -11.882 14.593 -24.111 1.00 20.34 H new ATOM 0 HB2 TYR A 37 -11.396 13.758 -21.858 1.00 64.43 H new ATOM 0 HB3 TYR A 37 -13.035 14.100 -21.338 1.00 64.43 H new ATOM 0 HD1 TYR A 37 -14.938 12.732 -22.246 1.00 52.25 H new ATOM 0 HD2 TYR A 37 -10.879 11.746 -23.094 1.00 52.51 H new ATOM 0 HE1 TYR A 37 -15.631 10.480 -22.938 1.00 44.21 H new ATOM 0 HE2 TYR A 37 -11.570 9.496 -23.791 1.00 23.10 H new ATOM 0 HH TYR A 37 -13.240 8.079 -24.072 1.00 72.32 H new ATOM 646 N SER A 38 -14.956 15.075 -22.967 1.00 44.30 N ATOM 647 CA SER A 38 -16.359 15.099 -23.361 1.00 53.23 C ATOM 648 C SER A 38 -16.799 16.516 -23.720 1.00 22.44 C ATOM 649 O SER A 38 -17.337 16.756 -24.800 1.00 64.24 O ATOM 650 CB SER A 38 -17.237 14.550 -22.235 1.00 2.33 C ATOM 651 OG SER A 38 -16.944 15.188 -21.004 1.00 13.14 O ATOM 0 H SER A 38 -14.793 15.251 -21.976 1.00 44.30 H new ATOM 0 HA SER A 38 -16.474 14.467 -24.242 1.00 53.23 H new ATOM 0 HB2 SER A 38 -18.288 14.698 -22.484 1.00 2.33 H new ATOM 0 HB3 SER A 38 -17.080 13.476 -22.138 1.00 2.33 H new ATOM 0 HG SER A 38 -16.522 14.546 -20.395 1.00 13.14 H new ATOM 657 N SER A 39 -16.566 17.450 -22.804 1.00 3.33 N ATOM 658 CA SER A 39 -16.940 18.843 -23.020 1.00 35.20 C ATOM 659 C SER A 39 -18.444 19.034 -22.846 1.00 31.02 C ATOM 660 O SER A 39 -18.889 19.924 -22.121 1.00 31.03 O ATOM 661 CB SER A 39 -16.516 19.296 -24.418 1.00 42.01 C ATOM 662 OG SER A 39 -17.644 19.520 -25.246 1.00 42.31 O ATOM 0 H SER A 39 -16.120 17.268 -21.905 1.00 3.33 H new ATOM 0 HA SER A 39 -16.425 19.452 -22.277 1.00 35.20 H new ATOM 0 HB2 SER A 39 -15.928 20.211 -24.344 1.00 42.01 H new ATOM 0 HB3 SER A 39 -15.874 18.540 -24.870 1.00 42.01 H new ATOM 0 HG SER A 39 -17.346 19.810 -26.133 1.00 42.31 H new ATOM 668 N LYS A 40 -19.223 18.192 -23.516 1.00 63.34 N ATOM 669 CA LYS A 40 -20.677 18.265 -23.437 1.00 22.22 C ATOM 670 C LYS A 40 -21.200 17.437 -22.267 1.00 41.02 C ATOM 671 O LYS A 40 -22.235 17.756 -21.682 1.00 51.45 O ATOM 672 CB LYS A 40 -21.305 17.775 -24.743 1.00 61.25 C ATOM 673 CG LYS A 40 -20.982 16.327 -25.068 1.00 64.33 C ATOM 674 CD LYS A 40 -21.955 15.374 -24.395 1.00 23.41 C ATOM 675 CE LYS A 40 -22.847 14.678 -25.411 1.00 62.35 C ATOM 676 NZ LYS A 40 -23.559 15.652 -26.284 1.00 4.21 N ATOM 0 H LYS A 40 -18.871 17.450 -24.121 1.00 63.34 H new ATOM 0 HA LYS A 40 -20.955 19.307 -23.276 1.00 22.22 H new ATOM 0 HB2 LYS A 40 -22.387 17.892 -24.682 1.00 61.25 H new ATOM 0 HB3 LYS A 40 -20.961 18.408 -25.561 1.00 61.25 H new ATOM 0 HG2 LYS A 40 -21.015 16.179 -26.147 1.00 64.33 H new ATOM 0 HG3 LYS A 40 -19.966 16.099 -24.746 1.00 64.33 H new ATOM 0 HD2 LYS A 40 -21.400 14.628 -23.825 1.00 23.41 H new ATOM 0 HD3 LYS A 40 -22.572 15.924 -23.684 1.00 23.41 H new ATOM 0 HE2 LYS A 40 -22.244 14.011 -26.027 1.00 62.35 H new ATOM 0 HE3 LYS A 40 -23.576 14.058 -24.890 1.00 62.35 H new ATOM 0 HZ1 LYS A 40 -24.422 15.213 -26.662 1.00 4.21 H new ATOM 0 HZ2 LYS A 40 -23.814 16.494 -25.729 1.00 4.21 H new ATOM 0 HZ3 LYS A 40 -22.939 15.931 -27.071 1.00 4.21 H new ATOM 690 N ASP A 41 -20.477 16.374 -21.931 1.00 15.22 N ATOM 691 CA ASP A 41 -20.868 15.502 -20.829 1.00 44.20 C ATOM 692 C ASP A 41 -20.322 16.024 -19.503 1.00 50.15 C ATOM 693 O ASP A 41 -21.077 16.486 -18.649 1.00 71.21 O ATOM 694 CB ASP A 41 -20.367 14.078 -21.076 1.00 1.24 C ATOM 695 CG ASP A 41 -21.140 13.046 -20.278 1.00 2.41 C ATOM 696 OD1 ASP A 41 -21.189 13.171 -19.036 1.00 61.00 O ATOM 697 OD2 ASP A 41 -21.696 12.115 -20.895 1.00 73.24 O ATOM 0 H ASP A 41 -19.618 16.096 -22.405 1.00 15.22 H new ATOM 0 HA ASP A 41 -21.957 15.492 -20.774 1.00 44.20 H new ATOM 0 HB2 ASP A 41 -20.448 13.847 -22.138 1.00 1.24 H new ATOM 0 HB3 ASP A 41 -19.310 14.017 -20.816 1.00 1.24 H new ATOM 702 N ASN A 42 -19.005 15.946 -19.340 1.00 14.15 N ATOM 703 CA ASN A 42 -18.359 16.409 -18.117 1.00 43.21 C ATOM 704 C ASN A 42 -18.963 15.731 -16.891 1.00 63.54 C ATOM 705 O ASN A 42 -19.852 14.887 -17.009 1.00 55.35 O ATOM 706 CB ASN A 42 -18.490 17.928 -17.990 1.00 14.24 C ATOM 707 CG ASN A 42 -18.484 18.624 -19.337 1.00 53.20 C ATOM 708 OD1 ASN A 42 -17.793 18.201 -20.263 1.00 45.24 O ATOM 709 ND2 ASN A 42 -19.257 19.698 -19.452 1.00 32.14 N ATOM 0 H ASN A 42 -18.365 15.567 -20.038 1.00 14.15 H new ATOM 0 HA ASN A 42 -17.303 16.145 -18.172 1.00 43.21 H new ATOM 0 HB2 ASN A 42 -19.415 18.167 -17.465 1.00 14.24 H new ATOM 0 HB3 ASN A 42 -17.670 18.311 -17.383 1.00 14.24 H new ATOM 0 HD21 ASN A 42 -19.294 20.207 -20.335 1.00 32.14 H new ATOM 0 HD22 ASN A 42 -19.814 20.013 -18.657 1.00 32.14 H new ATOM 716 N THR A 43 -18.473 16.105 -15.713 1.00 74.52 N ATOM 717 CA THR A 43 -18.964 15.533 -14.466 1.00 23.54 C ATOM 718 C THR A 43 -19.456 16.620 -13.518 1.00 1.40 C ATOM 719 O THR A 43 -18.938 17.737 -13.518 1.00 12.21 O ATOM 720 CB THR A 43 -17.872 14.707 -13.759 1.00 1.23 C ATOM 721 OG1 THR A 43 -16.587 15.295 -13.990 1.00 22.10 O ATOM 722 CG2 THR A 43 -17.874 13.269 -14.255 1.00 13.21 C ATOM 0 H THR A 43 -17.737 16.801 -15.597 1.00 74.52 H new ATOM 0 HA THR A 43 -19.795 14.877 -14.725 1.00 23.54 H new ATOM 0 HB THR A 43 -18.084 14.706 -12.690 1.00 1.23 H new ATOM 0 HG1 THR A 43 -15.900 14.774 -13.523 1.00 22.10 H new ATOM 0 HG21 THR A 43 -17.095 12.706 -13.741 1.00 13.21 H new ATOM 0 HG22 THR A 43 -18.844 12.815 -14.051 1.00 13.21 H new ATOM 0 HG23 THR A 43 -17.685 13.254 -15.328 1.00 13.21 H new ATOM 730 N TRP A 44 -20.457 16.287 -12.712 1.00 12.12 N ATOM 731 CA TRP A 44 -21.019 17.237 -11.758 1.00 23.11 C ATOM 732 C TRP A 44 -20.504 16.963 -10.349 1.00 62.52 C ATOM 733 O TRP A 44 -20.716 15.881 -9.802 1.00 12.34 O ATOM 734 CB TRP A 44 -22.547 17.168 -11.778 1.00 44.51 C ATOM 735 CG TRP A 44 -23.159 17.903 -12.932 1.00 62.03 C ATOM 736 CD1 TRP A 44 -23.554 17.370 -14.126 1.00 42.11 C ATOM 737 CD2 TRP A 44 -23.444 19.304 -13.002 1.00 41.31 C ATOM 738 NE1 TRP A 44 -24.067 18.356 -14.934 1.00 32.00 N ATOM 739 CE2 TRP A 44 -24.012 19.551 -14.267 1.00 42.33 C ATOM 740 CE3 TRP A 44 -23.277 20.374 -12.119 1.00 23.14 C ATOM 741 CZ2 TRP A 44 -24.411 20.824 -14.668 1.00 61.52 C ATOM 742 CZ3 TRP A 44 -23.673 21.636 -12.518 1.00 41.01 C ATOM 743 CH2 TRP A 44 -24.235 21.852 -13.783 1.00 53.31 C ATOM 0 H TRP A 44 -20.897 15.367 -12.699 1.00 12.12 H new ATOM 0 HA TRP A 44 -20.704 18.238 -12.052 1.00 23.11 H new ATOM 0 HB2 TRP A 44 -22.856 16.123 -11.817 1.00 44.51 H new ATOM 0 HB3 TRP A 44 -22.935 17.581 -10.847 1.00 44.51 H new ATOM 0 HD1 TRP A 44 -23.475 16.327 -14.395 1.00 42.11 H new ATOM 0 HE1 TRP A 44 -24.430 18.220 -15.878 1.00 32.00 H new ATOM 0 HE3 TRP A 44 -22.846 20.217 -11.141 1.00 23.14 H new ATOM 0 HZ2 TRP A 44 -24.844 20.993 -15.643 1.00 61.52 H new ATOM 0 HZ3 TRP A 44 -23.547 22.470 -11.843 1.00 41.01 H new ATOM 0 HH2 TRP A 44 -24.535 22.850 -14.065 1.00 53.31 H new ATOM 754 N GLU A 45 -19.827 17.948 -9.769 1.00 3.34 N ATOM 755 CA GLU A 45 -19.282 17.811 -8.423 1.00 64.32 C ATOM 756 C GLU A 45 -19.687 18.993 -7.548 1.00 55.11 C ATOM 757 O GLU A 45 -19.456 20.150 -7.900 1.00 44.24 O ATOM 758 CB GLU A 45 -17.756 17.701 -8.476 1.00 34.23 C ATOM 759 CG GLU A 45 -17.260 16.357 -8.983 1.00 10.13 C ATOM 760 CD GLU A 45 -16.719 15.478 -7.872 1.00 34.12 C ATOM 761 OE1 GLU A 45 -17.279 15.522 -6.756 1.00 22.21 O ATOM 762 OE2 GLU A 45 -15.738 14.747 -8.118 1.00 24.34 O ATOM 0 H GLU A 45 -19.643 18.849 -10.209 1.00 3.34 H new ATOM 0 HA GLU A 45 -19.691 16.901 -7.985 1.00 64.32 H new ATOM 0 HB2 GLU A 45 -17.365 18.489 -9.120 1.00 34.23 H new ATOM 0 HB3 GLU A 45 -17.353 17.875 -7.478 1.00 34.23 H new ATOM 0 HG2 GLU A 45 -18.076 15.839 -9.486 1.00 10.13 H new ATOM 0 HG3 GLU A 45 -16.479 16.519 -9.726 1.00 10.13 H new ATOM 769 N THR A 46 -20.296 18.694 -6.404 1.00 40.25 N ATOM 770 CA THR A 46 -20.736 19.731 -5.479 1.00 72.33 C ATOM 771 C THR A 46 -19.667 20.803 -5.305 1.00 64.15 C ATOM 772 O THR A 46 -18.475 20.532 -5.447 1.00 62.41 O ATOM 773 CB THR A 46 -21.085 19.141 -4.100 1.00 2.13 C ATOM 774 OG1 THR A 46 -20.416 17.888 -3.919 1.00 45.10 O ATOM 775 CG2 THR A 46 -22.587 18.944 -3.959 1.00 43.31 C ATOM 0 H THR A 46 -20.495 17.742 -6.096 1.00 40.25 H new ATOM 0 HA THR A 46 -21.630 20.181 -5.911 1.00 72.33 H new ATOM 0 HB THR A 46 -20.753 19.843 -3.335 1.00 2.13 H new ATOM 0 HG1 THR A 46 -20.762 17.445 -3.116 1.00 45.10 H new ATOM 0 HG21 THR A 46 -22.809 18.526 -2.977 1.00 43.31 H new ATOM 0 HG22 THR A 46 -23.092 19.904 -4.067 1.00 43.31 H new ATOM 0 HG23 THR A 46 -22.938 18.260 -4.732 1.00 43.31 H new ATOM 783 N GLU A 47 -20.101 22.021 -4.997 1.00 62.02 N ATOM 784 CA GLU A 47 -19.179 23.134 -4.804 1.00 65.13 C ATOM 785 C GLU A 47 -18.189 22.832 -3.683 1.00 2.03 C ATOM 786 O GLU A 47 -17.105 23.413 -3.624 1.00 63.41 O ATOM 787 CB GLU A 47 -19.951 24.416 -4.487 1.00 2.05 C ATOM 788 CG GLU A 47 -19.090 25.509 -3.876 1.00 52.41 C ATOM 789 CD GLU A 47 -19.863 26.791 -3.631 1.00 4.03 C ATOM 790 OE1 GLU A 47 -20.935 26.724 -2.994 1.00 60.00 O ATOM 791 OE2 GLU A 47 -19.395 27.860 -4.075 1.00 55.32 O ATOM 0 H GLU A 47 -21.085 22.262 -4.876 1.00 62.02 H new ATOM 0 HA GLU A 47 -18.621 23.275 -5.730 1.00 65.13 H new ATOM 0 HB2 GLU A 47 -20.405 24.793 -5.403 1.00 2.05 H new ATOM 0 HB3 GLU A 47 -20.765 24.180 -3.801 1.00 2.05 H new ATOM 0 HG2 GLU A 47 -18.674 25.154 -2.933 1.00 52.41 H new ATOM 0 HG3 GLU A 47 -18.249 25.717 -4.538 1.00 52.41 H new ATOM 798 N ASP A 48 -18.570 21.921 -2.795 1.00 33.24 N ATOM 799 CA ASP A 48 -17.717 21.541 -1.675 1.00 32.35 C ATOM 800 C ASP A 48 -16.930 20.274 -1.997 1.00 2.45 C ATOM 801 O ASP A 48 -16.147 19.793 -1.177 1.00 41.12 O ATOM 802 CB ASP A 48 -18.558 21.327 -0.415 1.00 31.20 C ATOM 803 CG ASP A 48 -18.219 22.316 0.683 1.00 63.04 C ATOM 804 OD1 ASP A 48 -17.167 22.142 1.334 1.00 13.31 O ATOM 805 OD2 ASP A 48 -19.004 23.264 0.889 1.00 10.45 O ATOM 0 H ASP A 48 -19.464 21.432 -2.829 1.00 33.24 H new ATOM 0 HA ASP A 48 -17.010 22.351 -1.497 1.00 32.35 H new ATOM 0 HB2 ASP A 48 -19.615 21.417 -0.667 1.00 31.20 H new ATOM 0 HB3 ASP A 48 -18.404 20.313 -0.047 1.00 31.20 H new ATOM 810 N ASP A 49 -17.143 19.739 -3.194 1.00 14.55 N ATOM 811 CA ASP A 49 -16.454 18.529 -3.624 1.00 62.11 C ATOM 812 C ASP A 49 -15.648 18.785 -4.894 1.00 3.03 C ATOM 813 O ASP A 49 -14.878 17.931 -5.334 1.00 43.14 O ATOM 814 CB ASP A 49 -17.459 17.401 -3.862 1.00 60.03 C ATOM 815 CG ASP A 49 -18.142 16.955 -2.584 1.00 61.34 C ATOM 816 OD1 ASP A 49 -18.654 17.825 -1.849 1.00 43.45 O ATOM 817 OD2 ASP A 49 -18.165 15.735 -2.320 1.00 33.33 O ATOM 0 H ASP A 49 -17.788 20.125 -3.884 1.00 14.55 H new ATOM 0 HA ASP A 49 -15.767 18.231 -2.832 1.00 62.11 H new ATOM 0 HB2 ASP A 49 -18.212 17.734 -4.576 1.00 60.03 H new ATOM 0 HB3 ASP A 49 -16.947 16.551 -4.313 1.00 60.03 H new ATOM 822 N ILE A 50 -15.831 19.965 -5.477 1.00 31.31 N ATOM 823 CA ILE A 50 -15.121 20.333 -6.695 1.00 61.45 C ATOM 824 C ILE A 50 -13.896 21.185 -6.382 1.00 20.11 C ATOM 825 O ILE A 50 -12.878 21.104 -7.070 1.00 32.13 O ATOM 826 CB ILE A 50 -16.033 21.103 -7.668 1.00 13.21 C ATOM 827 CG1 ILE A 50 -15.295 21.387 -8.978 1.00 0.13 C ATOM 828 CG2 ILE A 50 -16.511 22.400 -7.031 1.00 71.41 C ATOM 829 CD1 ILE A 50 -15.804 20.573 -10.147 1.00 24.13 C ATOM 0 H ILE A 50 -16.465 20.682 -5.125 1.00 31.31 H new ATOM 0 HA ILE A 50 -14.803 19.403 -7.167 1.00 61.45 H new ATOM 0 HB ILE A 50 -16.904 20.487 -7.891 1.00 13.21 H new ATOM 0 HG12 ILE A 50 -15.388 22.447 -9.216 1.00 0.13 H new ATOM 0 HG13 ILE A 50 -14.233 21.184 -8.839 1.00 0.13 H new ATOM 0 HG21 ILE A 50 -17.155 22.933 -7.731 1.00 71.41 H new ATOM 0 HG22 ILE A 50 -17.070 22.175 -6.123 1.00 71.41 H new ATOM 0 HG23 ILE A 50 -15.651 23.022 -6.783 1.00 71.41 H new ATOM 0 HD11 ILE A 50 -15.235 20.826 -11.042 1.00 24.13 H new ATOM 0 HD12 ILE A 50 -15.686 19.511 -9.930 1.00 24.13 H new ATOM 0 HD13 ILE A 50 -16.858 20.794 -10.313 1.00 24.13 H new ATOM 841 N ARG A 51 -14.001 22.001 -5.338 1.00 30.41 N ATOM 842 CA ARG A 51 -12.902 22.868 -4.932 1.00 65.22 C ATOM 843 C ARG A 51 -11.854 22.086 -4.145 1.00 33.32 C ATOM 844 O ARG A 51 -10.719 22.535 -3.982 1.00 54.43 O ATOM 845 CB ARG A 51 -13.426 24.031 -4.088 1.00 40.03 C ATOM 846 CG ARG A 51 -13.363 23.774 -2.592 1.00 12.45 C ATOM 847 CD ARG A 51 -14.372 22.720 -2.164 1.00 71.13 C ATOM 848 NE ARG A 51 -14.130 22.251 -0.803 1.00 21.53 N ATOM 849 CZ ARG A 51 -14.349 22.989 0.279 1.00 14.22 C ATOM 850 NH1 ARG A 51 -14.814 24.225 0.159 1.00 0.21 N ATOM 851 NH2 ARG A 51 -14.105 22.492 1.485 1.00 63.43 N ATOM 0 H ARG A 51 -14.836 22.080 -4.758 1.00 30.41 H new ATOM 0 HA ARG A 51 -12.434 23.264 -5.833 1.00 65.22 H new ATOM 0 HB2 ARG A 51 -12.848 24.926 -4.319 1.00 40.03 H new ATOM 0 HB3 ARG A 51 -14.459 24.237 -4.370 1.00 40.03 H new ATOM 0 HG2 ARG A 51 -12.359 23.449 -2.320 1.00 12.45 H new ATOM 0 HG3 ARG A 51 -13.555 24.702 -2.054 1.00 12.45 H new ATOM 0 HD2 ARG A 51 -15.378 23.133 -2.231 1.00 71.13 H new ATOM 0 HD3 ARG A 51 -14.328 21.875 -2.852 1.00 71.13 H new ATOM 0 HE ARG A 51 -13.773 21.304 -0.676 1.00 21.53 H new ATOM 0 HH11 ARG A 51 -15.004 24.611 -0.766 1.00 0.21 H new ATOM 0 HH12 ARG A 51 -14.981 24.790 0.992 1.00 0.21 H new ATOM 0 HH21 ARG A 51 -13.748 21.541 1.582 1.00 63.43 H new ATOM 0 HH22 ARG A 51 -14.274 23.061 2.315 1.00 63.43 H new ATOM 865 N THR A 52 -12.243 20.912 -3.657 1.00 31.24 N ATOM 866 CA THR A 52 -11.340 20.068 -2.885 1.00 24.10 C ATOM 867 C THR A 52 -10.534 19.149 -3.796 1.00 22.55 C ATOM 868 O THR A 52 -9.394 18.797 -3.489 1.00 51.24 O ATOM 869 CB THR A 52 -12.108 19.212 -1.860 1.00 41.13 C ATOM 870 OG1 THR A 52 -11.189 18.434 -1.085 1.00 12.11 O ATOM 871 CG2 THR A 52 -13.097 18.291 -2.558 1.00 53.00 C ATOM 0 H THR A 52 -13.178 20.524 -3.783 1.00 31.24 H new ATOM 0 HA THR A 52 -10.661 20.735 -2.353 1.00 24.10 H new ATOM 0 HB THR A 52 -12.661 19.882 -1.202 1.00 41.13 H new ATOM 0 HG1 THR A 52 -11.685 17.894 -0.435 1.00 12.11 H new ATOM 0 HG21 THR A 52 -13.628 17.696 -1.814 1.00 53.00 H new ATOM 0 HG22 THR A 52 -13.813 18.887 -3.124 1.00 53.00 H new ATOM 0 HG23 THR A 52 -12.560 17.628 -3.237 1.00 53.00 H new ATOM 879 N LYS A 53 -11.132 18.762 -4.917 1.00 70.21 N ATOM 880 CA LYS A 53 -10.470 17.884 -5.875 1.00 3.22 C ATOM 881 C LYS A 53 -9.954 18.676 -7.072 1.00 42.11 C ATOM 882 O LYS A 53 -8.920 18.342 -7.651 1.00 24.14 O ATOM 883 CB LYS A 53 -11.432 16.793 -6.348 1.00 74.13 C ATOM 884 CG LYS A 53 -12.238 16.163 -5.225 1.00 24.01 C ATOM 885 CD LYS A 53 -11.336 15.621 -4.129 1.00 20.24 C ATOM 886 CE LYS A 53 -12.122 14.807 -3.112 1.00 11.42 C ATOM 887 NZ LYS A 53 -12.040 13.346 -3.387 1.00 43.32 N ATOM 0 H LYS A 53 -12.075 19.043 -5.185 1.00 70.21 H new ATOM 0 HA LYS A 53 -9.620 17.418 -5.376 1.00 3.22 H new ATOM 0 HB2 LYS A 53 -12.117 17.218 -7.081 1.00 74.13 H new ATOM 0 HB3 LYS A 53 -10.863 16.015 -6.857 1.00 74.13 H new ATOM 0 HG2 LYS A 53 -12.919 16.903 -4.805 1.00 24.01 H new ATOM 0 HG3 LYS A 53 -12.852 15.356 -5.625 1.00 24.01 H new ATOM 0 HD2 LYS A 53 -10.558 14.999 -4.571 1.00 20.24 H new ATOM 0 HD3 LYS A 53 -10.835 16.448 -3.626 1.00 20.24 H new ATOM 0 HE2 LYS A 53 -11.740 15.010 -2.111 1.00 11.42 H new ATOM 0 HE3 LYS A 53 -13.166 15.121 -3.125 1.00 11.42 H new ATOM 0 HZ1 LYS A 53 -12.588 12.827 -2.672 1.00 43.32 H new ATOM 0 HZ2 LYS A 53 -12.428 13.148 -4.332 1.00 43.32 H new ATOM 0 HZ3 LYS A 53 -11.046 13.041 -3.350 1.00 43.32 H new ATOM 901 N TYR A 54 -10.680 19.727 -7.438 1.00 24.15 N ATOM 902 CA TYR A 54 -10.295 20.566 -8.567 1.00 35.25 C ATOM 903 C TYR A 54 -10.213 22.032 -8.153 1.00 22.14 C ATOM 904 O TYR A 54 -10.478 22.930 -8.950 1.00 74.04 O ATOM 905 CB TYR A 54 -11.295 20.403 -9.713 1.00 11.51 C ATOM 906 CG TYR A 54 -11.729 18.973 -9.940 1.00 14.14 C ATOM 907 CD1 TYR A 54 -10.840 18.025 -10.430 1.00 4.33 C ATOM 908 CD2 TYR A 54 -13.030 18.569 -9.663 1.00 2.25 C ATOM 909 CE1 TYR A 54 -11.233 16.718 -10.639 1.00 24.40 C ATOM 910 CE2 TYR A 54 -13.431 17.263 -9.867 1.00 51.24 C ATOM 911 CZ TYR A 54 -12.529 16.341 -10.356 1.00 51.42 C ATOM 912 OH TYR A 54 -12.924 15.039 -10.562 1.00 0.31 O ATOM 0 H TYR A 54 -11.538 20.018 -6.969 1.00 24.15 H new ATOM 0 HA TYR A 54 -9.309 20.247 -8.905 1.00 35.25 H new ATOM 0 HB2 TYR A 54 -12.175 21.012 -9.505 1.00 11.51 H new ATOM 0 HB3 TYR A 54 -10.850 20.788 -10.630 1.00 11.51 H new ATOM 0 HD1 TYR A 54 -9.824 18.315 -10.651 1.00 4.33 H new ATOM 0 HD2 TYR A 54 -13.739 19.289 -9.282 1.00 2.25 H new ATOM 0 HE1 TYR A 54 -10.529 15.994 -11.022 1.00 24.40 H new ATOM 0 HE2 TYR A 54 -14.445 16.965 -9.645 1.00 51.24 H new ATOM 0 HH TYR A 54 -13.866 14.940 -10.312 1.00 0.31 H new ATOM 922 N GLY A 55 -9.841 22.266 -6.897 1.00 74.25 N ATOM 923 CA GLY A 55 -9.729 23.624 -6.398 1.00 32.31 C ATOM 924 C GLY A 55 -8.865 24.498 -7.284 1.00 42.14 C ATOM 925 O GLY A 55 -8.969 25.724 -7.249 1.00 50.35 O ATOM 0 H GLY A 55 -9.616 21.540 -6.217 1.00 74.25 H new ATOM 0 HA2 GLY A 55 -10.724 24.062 -6.320 1.00 32.31 H new ATOM 0 HA3 GLY A 55 -9.310 23.605 -5.392 1.00 32.31 H new ATOM 929 N ASP A 56 -8.008 23.867 -8.080 1.00 1.33 N ATOM 930 CA ASP A 56 -7.121 24.596 -8.979 1.00 61.01 C ATOM 931 C ASP A 56 -7.921 25.454 -9.954 1.00 70.23 C ATOM 932 O ASP A 56 -7.690 26.658 -10.073 1.00 20.05 O ATOM 933 CB ASP A 56 -6.229 23.622 -9.750 1.00 73.35 C ATOM 934 CG ASP A 56 -4.757 23.959 -9.623 1.00 2.40 C ATOM 935 OD1 ASP A 56 -4.427 25.162 -9.558 1.00 11.44 O ATOM 936 OD2 ASP A 56 -3.934 23.021 -9.588 1.00 32.24 O ATOM 0 H ASP A 56 -7.909 22.853 -8.121 1.00 1.33 H new ATOM 0 HA ASP A 56 -6.493 25.252 -8.377 1.00 61.01 H new ATOM 0 HB2 ASP A 56 -6.400 22.610 -9.383 1.00 73.35 H new ATOM 0 HB3 ASP A 56 -6.511 23.631 -10.803 1.00 73.35 H new ATOM 941 N LEU A 57 -8.862 24.826 -10.652 1.00 5.52 N ATOM 942 CA LEU A 57 -9.696 25.532 -11.618 1.00 60.13 C ATOM 943 C LEU A 57 -10.881 26.201 -10.929 1.00 61.21 C ATOM 944 O LEU A 57 -11.322 27.276 -11.334 1.00 53.23 O ATOM 945 CB LEU A 57 -10.196 24.564 -12.692 1.00 41.24 C ATOM 946 CG LEU A 57 -10.326 23.101 -12.269 1.00 73.30 C ATOM 947 CD1 LEU A 57 -11.447 22.420 -13.039 1.00 53.21 C ATOM 948 CD2 LEU A 57 -9.010 22.366 -12.478 1.00 74.31 C ATOM 0 H LEU A 57 -9.066 23.830 -10.567 1.00 5.52 H new ATOM 0 HA LEU A 57 -9.089 26.306 -12.088 1.00 60.13 H new ATOM 0 HB2 LEU A 57 -11.170 24.909 -13.039 1.00 41.24 H new ATOM 0 HB3 LEU A 57 -9.518 24.616 -13.544 1.00 41.24 H new ATOM 0 HG LEU A 57 -10.571 23.071 -11.207 1.00 73.30 H new ATOM 0 HD11 LEU A 57 -11.524 21.379 -12.724 1.00 53.21 H new ATOM 0 HD12 LEU A 57 -12.389 22.931 -12.838 1.00 53.21 H new ATOM 0 HD13 LEU A 57 -11.232 22.461 -14.107 1.00 53.21 H new ATOM 0 HD21 LEU A 57 -9.121 21.326 -12.171 1.00 74.31 H new ATOM 0 HD22 LEU A 57 -8.734 22.406 -13.532 1.00 74.31 H new ATOM 0 HD23 LEU A 57 -8.230 22.839 -11.881 1.00 74.31 H new ATOM 960 N VAL A 58 -11.391 25.558 -9.883 1.00 62.23 N ATOM 961 CA VAL A 58 -12.522 26.092 -9.135 1.00 34.20 C ATOM 962 C VAL A 58 -12.273 27.537 -8.719 1.00 55.21 C ATOM 963 O VAL A 58 -13.140 28.397 -8.877 1.00 10.42 O ATOM 964 CB VAL A 58 -12.811 25.250 -7.878 1.00 15.01 C ATOM 965 CG1 VAL A 58 -13.945 25.866 -7.072 1.00 30.32 C ATOM 966 CG2 VAL A 58 -13.138 23.815 -8.262 1.00 23.42 C ATOM 0 H VAL A 58 -11.038 24.666 -9.535 1.00 62.23 H new ATOM 0 HA VAL A 58 -13.387 26.052 -9.797 1.00 34.20 H new ATOM 0 HB VAL A 58 -11.917 25.241 -7.255 1.00 15.01 H new ATOM 0 HG11 VAL A 58 -14.135 25.258 -6.188 1.00 30.32 H new ATOM 0 HG12 VAL A 58 -13.668 26.875 -6.766 1.00 30.32 H new ATOM 0 HG13 VAL A 58 -14.846 25.908 -7.684 1.00 30.32 H new ATOM 0 HG21 VAL A 58 -13.339 23.234 -7.362 1.00 23.42 H new ATOM 0 HG22 VAL A 58 -14.017 23.802 -8.906 1.00 23.42 H new ATOM 0 HG23 VAL A 58 -12.292 23.379 -8.793 1.00 23.42 H new ATOM 976 N ASP A 59 -11.084 27.798 -8.188 1.00 31.42 N ATOM 977 CA ASP A 59 -10.719 29.140 -7.750 1.00 54.02 C ATOM 978 C ASP A 59 -10.266 29.992 -8.931 1.00 45.04 C ATOM 979 O ASP A 59 -9.715 31.078 -8.751 1.00 12.43 O ATOM 980 CB ASP A 59 -9.611 29.073 -6.698 1.00 54.20 C ATOM 981 CG ASP A 59 -10.138 28.706 -5.325 1.00 15.02 C ATOM 982 OD1 ASP A 59 -10.691 29.595 -4.644 1.00 14.32 O ATOM 983 OD2 ASP A 59 -9.999 27.529 -4.931 1.00 41.33 O ATOM 0 H ASP A 59 -10.356 27.097 -8.050 1.00 31.42 H new ATOM 0 HA ASP A 59 -11.601 29.604 -7.308 1.00 54.02 H new ATOM 0 HB2 ASP A 59 -8.866 28.340 -7.006 1.00 54.20 H new ATOM 0 HB3 ASP A 59 -9.106 30.038 -6.644 1.00 54.20 H new ATOM 988 N ASP A 60 -10.499 29.491 -10.140 1.00 10.45 N ATOM 989 CA ASP A 60 -10.114 30.206 -11.351 1.00 12.51 C ATOM 990 C ASP A 60 -11.316 30.405 -12.269 1.00 42.15 C ATOM 991 O ASP A 60 -11.219 31.072 -13.300 1.00 13.54 O ATOM 992 CB ASP A 60 -9.012 29.446 -12.090 1.00 31.55 C ATOM 993 CG ASP A 60 -7.718 30.231 -12.166 1.00 24.22 C ATOM 994 OD1 ASP A 60 -7.066 30.404 -11.115 1.00 33.34 O ATOM 995 OD2 ASP A 60 -7.356 30.673 -13.277 1.00 11.35 O ATOM 0 H ASP A 60 -10.953 28.593 -10.307 1.00 10.45 H new ATOM 0 HA ASP A 60 -9.735 31.186 -11.060 1.00 12.51 H new ATOM 0 HB2 ASP A 60 -8.829 28.497 -11.586 1.00 31.55 H new ATOM 0 HB3 ASP A 60 -9.351 29.211 -13.099 1.00 31.55 H new ATOM 1000 N PHE A 61 -12.447 29.820 -11.890 1.00 53.50 N ATOM 1001 CA PHE A 61 -13.668 29.931 -12.681 1.00 4.44 C ATOM 1002 C PHE A 61 -14.792 30.557 -11.861 1.00 1.44 C ATOM 1003 O PHE A 61 -15.538 31.402 -12.355 1.00 61.10 O ATOM 1004 CB PHE A 61 -14.098 28.554 -13.189 1.00 71.10 C ATOM 1005 CG PHE A 61 -15.500 28.525 -13.726 1.00 74.51 C ATOM 1006 CD1 PHE A 61 -16.578 28.332 -12.876 1.00 41.24 C ATOM 1007 CD2 PHE A 61 -15.741 28.690 -15.081 1.00 33.25 C ATOM 1008 CE1 PHE A 61 -17.869 28.304 -13.368 1.00 72.03 C ATOM 1009 CE2 PHE A 61 -17.031 28.663 -15.578 1.00 64.11 C ATOM 1010 CZ PHE A 61 -18.096 28.471 -14.721 1.00 21.35 C ATOM 0 H PHE A 61 -12.544 29.264 -11.040 1.00 53.50 H new ATOM 0 HA PHE A 61 -13.461 30.577 -13.534 1.00 4.44 H new ATOM 0 HB2 PHE A 61 -13.411 28.233 -13.972 1.00 71.10 H new ATOM 0 HB3 PHE A 61 -14.014 27.833 -12.376 1.00 71.10 H new ATOM 0 HD1 PHE A 61 -16.407 28.202 -11.818 1.00 41.24 H new ATOM 0 HD2 PHE A 61 -14.912 28.841 -15.756 1.00 33.25 H new ATOM 0 HE1 PHE A 61 -18.700 28.152 -12.696 1.00 72.03 H new ATOM 0 HE2 PHE A 61 -17.205 28.792 -16.636 1.00 64.11 H new ATOM 0 HZ PHE A 61 -19.104 28.451 -15.107 1.00 21.35 H new ATOM 1020 N GLU A 62 -14.906 30.136 -10.605 1.00 70.20 N ATOM 1021 CA GLU A 62 -15.940 30.654 -9.717 1.00 0.11 C ATOM 1022 C GLU A 62 -15.687 32.122 -9.385 1.00 63.04 C ATOM 1023 O GLU A 62 -16.619 32.922 -9.302 1.00 32.54 O ATOM 1024 CB GLU A 62 -15.996 29.831 -8.428 1.00 50.22 C ATOM 1025 CG GLU A 62 -14.866 30.139 -7.460 1.00 71.30 C ATOM 1026 CD GLU A 62 -15.173 31.321 -6.561 1.00 74.41 C ATOM 1027 OE1 GLU A 62 -16.369 31.619 -6.360 1.00 32.51 O ATOM 1028 OE2 GLU A 62 -14.217 31.947 -6.059 1.00 11.53 O ATOM 0 H GLU A 62 -14.295 29.438 -10.180 1.00 70.20 H new ATOM 0 HA GLU A 62 -16.897 30.575 -10.232 1.00 0.11 H new ATOM 0 HB2 GLU A 62 -16.949 30.014 -7.931 1.00 50.22 H new ATOM 0 HB3 GLU A 62 -15.967 28.771 -8.682 1.00 50.22 H new ATOM 0 HG2 GLU A 62 -14.670 29.261 -6.845 1.00 71.30 H new ATOM 0 HG3 GLU A 62 -13.955 30.343 -8.023 1.00 71.30 H new ATOM 1035 N LYS A 63 -14.418 32.469 -9.197 1.00 12.50 N ATOM 1036 CA LYS A 63 -14.040 33.840 -8.875 1.00 44.22 C ATOM 1037 C LYS A 63 -14.141 34.736 -10.106 1.00 24.22 C ATOM 1038 O LYS A 63 -14.147 35.961 -9.994 1.00 71.14 O ATOM 1039 CB LYS A 63 -12.615 33.880 -8.318 1.00 1.22 C ATOM 1040 CG LYS A 63 -11.553 33.496 -9.334 1.00 33.11 C ATOM 1041 CD LYS A 63 -10.972 34.719 -10.022 1.00 43.24 C ATOM 1042 CE LYS A 63 -10.147 35.561 -9.061 1.00 33.05 C ATOM 1043 NZ LYS A 63 -10.842 36.826 -8.695 1.00 15.12 N ATOM 0 H LYS A 63 -13.634 31.820 -9.262 1.00 12.50 H new ATOM 0 HA LYS A 63 -14.730 34.213 -8.118 1.00 44.22 H new ATOM 0 HB2 LYS A 63 -12.406 34.884 -7.949 1.00 1.22 H new ATOM 0 HB3 LYS A 63 -12.549 33.206 -7.464 1.00 1.22 H new ATOM 0 HG2 LYS A 63 -10.755 32.944 -8.837 1.00 33.11 H new ATOM 0 HG3 LYS A 63 -11.986 32.829 -10.080 1.00 33.11 H new ATOM 0 HD2 LYS A 63 -10.349 34.405 -10.859 1.00 43.24 H new ATOM 0 HD3 LYS A 63 -11.780 35.323 -10.435 1.00 43.24 H new ATOM 0 HE2 LYS A 63 -9.941 34.985 -8.159 1.00 33.05 H new ATOM 0 HE3 LYS A 63 -9.185 35.794 -9.517 1.00 33.05 H new ATOM 0 HZ1 LYS A 63 -10.444 37.613 -9.247 1.00 15.12 H new ATOM 0 HZ2 LYS A 63 -11.857 36.737 -8.902 1.00 15.12 H new ATOM 0 HZ3 LYS A 63 -10.711 37.013 -7.680 1.00 15.12 H new ATOM 1057 N ASN A 64 -14.221 34.115 -11.279 1.00 3.55 N ATOM 1058 CA ASN A 64 -14.323 34.857 -12.530 1.00 45.21 C ATOM 1059 C ASN A 64 -15.743 35.372 -12.743 1.00 42.13 C ATOM 1060 O ASN A 64 -15.943 36.507 -13.176 1.00 32.42 O ATOM 1061 CB ASN A 64 -13.907 33.972 -13.707 1.00 0.11 C ATOM 1062 CG ASN A 64 -12.404 33.783 -13.786 1.00 13.40 C ATOM 1063 OD1 ASN A 64 -11.817 33.833 -14.867 1.00 13.00 O ATOM 1064 ND2 ASN A 64 -11.774 33.565 -12.638 1.00 14.15 N ATOM 0 H ASN A 64 -14.217 33.101 -11.389 1.00 3.55 H new ATOM 0 HA ASN A 64 -13.650 35.713 -12.472 1.00 45.21 H new ATOM 0 HB2 ASN A 64 -14.388 32.999 -13.614 1.00 0.11 H new ATOM 0 HB3 ASN A 64 -14.264 34.416 -14.636 1.00 0.11 H new ATOM 0 HD21 ASN A 64 -10.763 33.431 -12.629 1.00 14.15 H new ATOM 0 HD22 ASN A 64 -12.301 33.532 -11.765 1.00 14.15 H new ATOM 1071 N GLN A 65 -16.724 34.530 -12.436 1.00 30.11 N ATOM 1072 CA GLN A 65 -18.125 34.900 -12.594 1.00 54.21 C ATOM 1073 C GLN A 65 -18.803 35.060 -11.237 1.00 3.30 C ATOM 1074 O GLN A 65 -20.029 35.130 -11.147 1.00 64.10 O ATOM 1075 CB GLN A 65 -18.862 33.848 -13.424 1.00 74.31 C ATOM 1076 CG GLN A 65 -18.943 32.488 -12.749 1.00 70.14 C ATOM 1077 CD GLN A 65 -19.168 31.359 -13.736 1.00 53.21 C ATOM 1078 OE1 GLN A 65 -18.558 31.323 -14.805 1.00 73.30 O ATOM 1079 NE2 GLN A 65 -20.048 30.430 -13.382 1.00 31.20 N ATOM 0 H GLN A 65 -16.574 33.587 -12.077 1.00 30.11 H new ATOM 0 HA GLN A 65 -18.165 35.857 -13.115 1.00 54.21 H new ATOM 0 HB2 GLN A 65 -19.872 34.202 -13.631 1.00 74.31 H new ATOM 0 HB3 GLN A 65 -18.360 33.738 -14.385 1.00 74.31 H new ATOM 0 HG2 GLN A 65 -18.021 32.305 -12.197 1.00 70.14 H new ATOM 0 HG3 GLN A 65 -19.754 32.496 -12.021 1.00 70.14 H new ATOM 0 HE21 GLN A 65 -20.531 30.500 -12.486 1.00 31.20 H new ATOM 0 HE22 GLN A 65 -20.241 29.647 -14.006 1.00 31.20 H new ATOM 1088 N LYS A 66 -17.997 35.118 -10.182 1.00 64.12 N ATOM 1089 CA LYS A 66 -18.517 35.271 -8.829 1.00 23.33 C ATOM 1090 C LYS A 66 -19.462 36.465 -8.740 1.00 64.14 C ATOM 1091 O LYS A 66 -20.384 36.481 -7.925 1.00 52.04 O ATOM 1092 CB LYS A 66 -17.366 35.443 -7.835 1.00 30.35 C ATOM 1093 CG LYS A 66 -16.364 36.509 -8.242 1.00 52.13 C ATOM 1094 CD LYS A 66 -16.807 37.891 -7.792 1.00 42.34 C ATOM 1095 CE LYS A 66 -15.659 38.667 -7.164 1.00 34.24 C ATOM 1096 NZ LYS A 66 -16.025 40.087 -6.906 1.00 52.11 N ATOM 0 H LYS A 66 -16.980 35.061 -10.239 1.00 64.12 H new ATOM 0 HA LYS A 66 -19.075 34.369 -8.577 1.00 23.33 H new ATOM 0 HB2 LYS A 66 -17.776 35.696 -6.857 1.00 30.35 H new ATOM 0 HB3 LYS A 66 -16.846 34.491 -7.726 1.00 30.35 H new ATOM 0 HG2 LYS A 66 -15.391 36.279 -7.809 1.00 52.13 H new ATOM 0 HG3 LYS A 66 -16.241 36.500 -9.325 1.00 52.13 H new ATOM 0 HD2 LYS A 66 -17.198 38.445 -8.645 1.00 42.34 H new ATOM 0 HD3 LYS A 66 -17.621 37.797 -7.073 1.00 42.34 H new ATOM 0 HE2 LYS A 66 -15.368 38.191 -6.227 1.00 34.24 H new ATOM 0 HE3 LYS A 66 -14.792 38.630 -7.823 1.00 34.24 H new ATOM 0 HZ1 LYS A 66 -15.216 40.582 -6.478 1.00 52.11 H new ATOM 0 HZ2 LYS A 66 -16.278 40.549 -7.803 1.00 52.11 H new ATOM 0 HZ3 LYS A 66 -16.837 40.124 -6.257 1.00 52.11 H new ATOM 1110 N LYS A 67 -19.227 37.463 -9.585 1.00 43.13 N ATOM 1111 CA LYS A 67 -20.058 38.661 -9.605 1.00 61.24 C ATOM 1112 C LYS A 67 -21.322 38.432 -10.428 1.00 31.13 C ATOM 1113 O LYS A 67 -21.281 37.803 -11.485 1.00 40.15 O ATOM 1114 CB LYS A 67 -19.272 39.843 -10.177 1.00 62.44 C ATOM 1115 CG LYS A 67 -19.058 40.970 -9.182 1.00 71.20 C ATOM 1116 CD LYS A 67 -20.369 41.646 -8.816 1.00 24.05 C ATOM 1117 CE LYS A 67 -20.800 41.296 -7.400 1.00 23.54 C ATOM 1118 NZ LYS A 67 -21.623 42.375 -6.787 1.00 71.23 N ATOM 0 H LYS A 67 -18.467 37.466 -10.266 1.00 43.13 H new ATOM 0 HA LYS A 67 -20.349 38.888 -8.579 1.00 61.24 H new ATOM 0 HB2 LYS A 67 -18.302 39.489 -10.526 1.00 62.44 H new ATOM 0 HB3 LYS A 67 -19.801 40.233 -11.047 1.00 62.44 H new ATOM 0 HG2 LYS A 67 -18.586 40.577 -8.281 1.00 71.20 H new ATOM 0 HG3 LYS A 67 -18.374 41.705 -9.605 1.00 71.20 H new ATOM 0 HD2 LYS A 67 -20.260 42.727 -8.908 1.00 24.05 H new ATOM 0 HD3 LYS A 67 -21.145 41.343 -9.519 1.00 24.05 H new ATOM 0 HE2 LYS A 67 -21.371 40.367 -7.413 1.00 23.54 H new ATOM 0 HE3 LYS A 67 -19.917 41.119 -6.785 1.00 23.54 H new ATOM 0 HZ1 LYS A 67 -21.896 42.098 -5.823 1.00 71.23 H new ATOM 0 HZ2 LYS A 67 -21.070 43.255 -6.751 1.00 71.23 H new ATOM 0 HZ3 LYS A 67 -22.478 42.527 -7.359 1.00 71.23 H new TER 1132 LYS A 67