USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 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 53 LYS NZ :NH3+ -168:sc= 0.684 (180deg=0.591) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 33 LYS NZ :NH3+ -159:sc= 0.363 (180deg=-0.484) USER MOD Set 2.2: A 36 ASN :FLIP amide:sc= -0.0428 F(o=-0.17,f=1.1) USER MOD Set 2.3: A 39 SER OG : rot 180:sc= 0.781 USER MOD Set 3.1: A 21 LYS NZ :NH3+ -159:sc= 0.0315 (180deg=-0.289) USER MOD Set 3.2: A 65 GLN :FLIP amide:sc= -1.6! C(o=-2.7!,f=-1.6!) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.107 (180deg=-0.638) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0127 (180deg=-0.173) USER MOD Single : A 2 HIS : no HE2:sc= 0.108 K(o=0.11,f=-0.75) USER MOD Single : A 3 HIS : no HD1:sc=-0.00338 X(o=-0.0034,f=-0.006) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 5 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.44) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= 0.593 K(o=0.59,f=-2.8!) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-2.5,f=0) USER MOD Single : A 12 THR OG1 : rot -39:sc= -0.106! 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 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 176:sc= 0.18 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 150:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0595) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 160:sc= -0.565 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -6.34! C(o=-6.3!,f=-14!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 46 THR OG1 : rot 173:sc= -1.05 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.286 F(o=-2.6!,f=-0.29) 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 11.580 11.708 -18.941 1.00 71.11 N ATOM 2 CA MET A 1 11.005 12.946 -18.428 1.00 33.21 C ATOM 3 C MET A 1 9.521 12.769 -18.120 1.00 41.31 C ATOM 4 O MET A 1 8.724 13.689 -18.310 1.00 31.52 O ATOM 5 CB MET A 1 11.197 14.079 -19.437 1.00 53.43 C ATOM 6 CG MET A 1 11.547 15.412 -18.795 1.00 62.13 C ATOM 7 SD MET A 1 12.083 16.643 -19.999 1.00 13.23 S ATOM 8 CE MET A 1 10.813 16.468 -21.250 1.00 0.21 C ATOM 0 H1 MET A 1 12.531 11.897 -19.316 1.00 71.11 H new ATOM 0 H2 MET A 1 11.643 11.010 -18.173 1.00 71.11 H new ATOM 0 H3 MET A 1 10.976 11.333 -19.700 1.00 71.11 H new ATOM 0 HA MET A 1 11.522 13.202 -17.503 1.00 33.21 H new ATOM 0 HB2 MET A 1 11.987 13.803 -20.135 1.00 53.43 H new ATOM 0 HB3 MET A 1 10.283 14.194 -20.020 1.00 53.43 H new ATOM 0 HG2 MET A 1 10.678 15.791 -18.256 1.00 62.13 H new ATOM 0 HG3 MET A 1 12.337 15.260 -18.060 1.00 62.13 H new ATOM 0 HE1 MET A 1 10.809 17.350 -21.890 1.00 0.21 H new ATOM 0 HE2 MET A 1 11.016 15.583 -21.853 1.00 0.21 H new ATOM 0 HE3 MET A 1 9.840 16.364 -20.769 1.00 0.21 H new ATOM 18 N HIS A 2 9.157 11.583 -17.644 1.00 60.44 N ATOM 19 CA HIS A 2 7.769 11.286 -17.310 1.00 55.31 C ATOM 20 C HIS A 2 7.637 9.881 -16.730 1.00 4.43 C ATOM 21 O HIS A 2 8.364 8.967 -17.120 1.00 74.25 O ATOM 22 CB HIS A 2 6.883 11.424 -18.549 1.00 61.50 C ATOM 23 CG HIS A 2 7.388 10.659 -19.734 1.00 2.21 C ATOM 24 ND1 HIS A 2 7.189 9.305 -19.896 1.00 75.45 N ATOM 25 CD2 HIS A 2 8.087 11.068 -20.819 1.00 21.14 C ATOM 26 CE1 HIS A 2 7.744 8.913 -21.029 1.00 63.30 C ATOM 27 NE2 HIS A 2 8.296 9.964 -21.608 1.00 70.11 N ATOM 0 H HIS A 2 9.804 10.812 -17.481 1.00 60.44 H new ATOM 0 HA HIS A 2 7.442 12.003 -16.557 1.00 55.31 H new ATOM 0 HB2 HIS A 2 5.877 11.080 -18.307 1.00 61.50 H new ATOM 0 HB3 HIS A 2 6.804 12.478 -18.814 1.00 61.50 H new ATOM 0 HD1 HIS A 2 6.691 8.700 -19.243 1.00 75.45 H new ATOM 0 HD2 HIS A 2 8.418 12.075 -21.025 1.00 21.14 H new ATOM 0 HE1 HIS A 2 7.746 7.905 -21.416 1.00 63.30 H new ATOM 35 N HIS A 3 6.707 9.717 -15.794 1.00 43.13 N ATOM 36 CA HIS A 3 6.481 8.423 -15.160 1.00 3.43 C ATOM 37 C HIS A 3 6.058 7.380 -16.189 1.00 74.01 C ATOM 38 O HIS A 3 6.105 7.627 -17.395 1.00 11.34 O ATOM 39 CB HIS A 3 5.415 8.545 -14.071 1.00 31.01 C ATOM 40 CG HIS A 3 5.885 8.101 -12.720 1.00 32.20 C ATOM 41 ND1 HIS A 3 5.287 7.079 -12.014 1.00 34.34 N ATOM 42 CD2 HIS A 3 6.903 8.545 -11.947 1.00 21.14 C ATOM 43 CE1 HIS A 3 5.915 6.915 -10.863 1.00 64.44 C ATOM 44 NE2 HIS A 3 6.901 7.792 -10.798 1.00 72.34 N ATOM 0 H HIS A 3 6.098 10.463 -15.458 1.00 43.13 H new ATOM 0 HA HIS A 3 7.418 8.100 -14.706 1.00 3.43 H new ATOM 0 HB2 HIS A 3 5.087 9.583 -14.010 1.00 31.01 H new ATOM 0 HB3 HIS A 3 4.546 7.953 -14.357 1.00 31.01 H new ATOM 0 HD2 HIS A 3 7.589 9.343 -12.188 1.00 21.14 H new ATOM 0 HE1 HIS A 3 5.665 6.188 -10.105 1.00 64.44 H new ATOM 0 HE2 HIS A 3 7.554 7.893 -10.021 1.00 72.34 H new ATOM 52 N HIS A 4 5.644 6.213 -15.706 1.00 22.31 N ATOM 53 CA HIS A 4 5.212 5.131 -16.584 1.00 42.43 C ATOM 54 C HIS A 4 3.802 4.671 -16.227 1.00 2.23 C ATOM 55 O HIS A 4 3.499 3.478 -16.264 1.00 3.22 O ATOM 56 CB HIS A 4 6.184 3.954 -16.495 1.00 14.14 C ATOM 57 CG HIS A 4 6.245 3.131 -17.745 1.00 14.25 C ATOM 58 ND1 HIS A 4 6.666 3.635 -18.957 1.00 70.31 N ATOM 59 CD2 HIS A 4 5.936 1.832 -17.965 1.00 62.10 C ATOM 60 CE1 HIS A 4 6.612 2.681 -19.870 1.00 4.12 C ATOM 61 NE2 HIS A 4 6.173 1.577 -19.293 1.00 61.24 N ATOM 0 H HIS A 4 5.598 5.992 -14.711 1.00 22.31 H new ATOM 0 HA HIS A 4 5.203 5.508 -17.607 1.00 42.43 H new ATOM 0 HB2 HIS A 4 7.181 4.333 -16.271 1.00 14.14 H new ATOM 0 HB3 HIS A 4 5.891 3.314 -15.663 1.00 14.14 H new ATOM 0 HD2 HIS A 4 5.571 1.127 -17.232 1.00 62.10 H new ATOM 0 HE1 HIS A 4 6.881 2.786 -20.911 1.00 4.12 H new ATOM 0 HE2 HIS A 4 6.033 0.680 -19.759 1.00 61.24 H new ATOM 69 N HIS A 5 2.944 5.625 -15.880 1.00 12.04 N ATOM 70 CA HIS A 5 1.565 5.317 -15.515 1.00 4.30 C ATOM 71 C HIS A 5 0.586 6.045 -16.431 1.00 33.31 C ATOM 72 O HIS A 5 -0.028 5.437 -17.308 1.00 74.51 O ATOM 73 CB HIS A 5 1.303 5.703 -14.059 1.00 33.31 C ATOM 74 CG HIS A 5 1.151 4.525 -13.146 1.00 15.43 C ATOM 75 ND1 HIS A 5 0.402 3.413 -13.470 1.00 4.32 N ATOM 76 CD2 HIS A 5 1.657 4.290 -11.913 1.00 22.02 C ATOM 77 CE1 HIS A 5 0.454 2.546 -12.475 1.00 61.51 C ATOM 78 NE2 HIS A 5 1.210 3.053 -11.518 1.00 54.20 N ATOM 0 H HIS A 5 3.179 6.617 -15.844 1.00 12.04 H new ATOM 0 HA HIS A 5 1.415 4.244 -15.631 1.00 4.30 H new ATOM 0 HB2 HIS A 5 2.124 6.325 -13.703 1.00 33.31 H new ATOM 0 HB3 HIS A 5 0.399 6.310 -14.009 1.00 33.31 H new ATOM 0 HD2 HIS A 5 2.294 4.952 -11.345 1.00 22.02 H new ATOM 0 HE1 HIS A 5 -0.038 1.585 -12.448 1.00 61.51 H new ATOM 0 HE2 HIS A 5 1.427 2.600 -10.630 1.00 54.20 H new ATOM 86 N HIS A 6 0.444 7.350 -16.221 1.00 32.53 N ATOM 87 CA HIS A 6 -0.462 8.160 -17.028 1.00 23.25 C ATOM 88 C HIS A 6 -0.348 9.635 -16.656 1.00 3.21 C ATOM 89 O HIS A 6 0.077 10.459 -17.467 1.00 11.23 O ATOM 90 CB HIS A 6 -1.904 7.686 -16.845 1.00 22.10 C ATOM 91 CG HIS A 6 -2.786 7.985 -18.018 1.00 44.10 C ATOM 92 ND1 HIS A 6 -3.883 8.816 -17.942 1.00 12.31 N ATOM 93 CD2 HIS A 6 -2.726 7.560 -19.302 1.00 21.13 C ATOM 94 CE1 HIS A 6 -4.461 8.888 -19.127 1.00 55.25 C ATOM 95 NE2 HIS A 6 -3.778 8.135 -19.971 1.00 13.15 N ATOM 0 H HIS A 6 0.944 7.869 -15.499 1.00 32.53 H new ATOM 0 HA HIS A 6 -0.180 8.044 -18.074 1.00 23.25 H new ATOM 0 HB2 HIS A 6 -1.904 6.611 -16.665 1.00 22.10 H new ATOM 0 HB3 HIS A 6 -2.323 8.158 -15.956 1.00 22.10 H new ATOM 0 HD2 HIS A 6 -1.988 6.893 -19.722 1.00 21.13 H new ATOM 0 HE1 HIS A 6 -5.342 9.465 -19.366 1.00 55.25 H new ATOM 0 HE2 HIS A 6 -3.997 8.003 -20.958 1.00 13.15 H new ATOM 103 N HIS A 7 -0.730 9.962 -15.426 1.00 32.05 N ATOM 104 CA HIS A 7 -0.671 11.338 -14.947 1.00 0.53 C ATOM 105 C HIS A 7 -0.267 11.385 -13.476 1.00 50.22 C ATOM 106 O HIS A 7 0.121 10.371 -12.898 1.00 0.05 O ATOM 107 CB HIS A 7 -2.023 12.026 -15.138 1.00 71.03 C ATOM 108 CG HIS A 7 -1.934 13.327 -15.875 1.00 14.12 C ATOM 109 ND1 HIS A 7 -0.893 14.216 -15.710 1.00 60.30 N ATOM 110 CD2 HIS A 7 -2.765 13.887 -16.785 1.00 44.34 C ATOM 111 CE1 HIS A 7 -1.087 15.267 -16.486 1.00 52.00 C ATOM 112 NE2 HIS A 7 -2.216 15.092 -17.150 1.00 1.35 N ATOM 0 H HIS A 7 -1.084 9.293 -14.743 1.00 32.05 H new ATOM 0 HA HIS A 7 0.083 11.867 -15.530 1.00 0.53 H new ATOM 0 HB2 HIS A 7 -2.689 11.355 -15.681 1.00 71.03 H new ATOM 0 HB3 HIS A 7 -2.473 12.201 -14.161 1.00 71.03 H new ATOM 0 HD1 HIS A 7 -0.097 14.083 -15.086 1.00 60.30 H new ATOM 0 HD2 HIS A 7 -3.688 13.465 -17.155 1.00 44.34 H new ATOM 0 HE1 HIS A 7 -0.434 16.124 -16.564 1.00 52.00 H new ATOM 120 N GLU A 8 -0.361 12.569 -12.879 1.00 4.30 N ATOM 121 CA GLU A 8 -0.003 12.747 -11.477 1.00 0.14 C ATOM 122 C GLU A 8 -1.228 12.598 -10.580 1.00 14.25 C ATOM 123 O GLU A 8 -1.423 13.372 -9.642 1.00 53.01 O ATOM 124 CB GLU A 8 0.637 14.120 -11.261 1.00 10.14 C ATOM 125 CG GLU A 8 2.041 14.233 -11.829 1.00 45.22 C ATOM 126 CD GLU A 8 2.092 15.059 -13.100 1.00 13.53 C ATOM 127 OE1 GLU A 8 1.134 14.979 -13.897 1.00 71.12 O ATOM 128 OE2 GLU A 8 3.088 15.786 -13.297 1.00 11.04 O ATOM 0 H GLU A 8 -0.682 13.418 -13.344 1.00 4.30 H new ATOM 0 HA GLU A 8 0.717 11.973 -11.211 1.00 0.14 H new ATOM 0 HB2 GLU A 8 0.006 14.882 -11.719 1.00 10.14 H new ATOM 0 HB3 GLU A 8 0.668 14.333 -10.192 1.00 10.14 H new ATOM 0 HG2 GLU A 8 2.696 14.682 -11.082 1.00 45.22 H new ATOM 0 HG3 GLU A 8 2.428 13.235 -12.033 1.00 45.22 H new ATOM 135 N VAL A 9 -2.052 11.598 -10.875 1.00 35.34 N ATOM 136 CA VAL A 9 -3.259 11.346 -10.096 1.00 21.14 C ATOM 137 C VAL A 9 -3.421 9.859 -9.799 1.00 11.42 C ATOM 138 O VAL A 9 -4.323 9.194 -10.308 1.00 14.11 O ATOM 139 CB VAL A 9 -4.516 11.852 -10.828 1.00 2.10 C ATOM 140 CG1 VAL A 9 -5.738 11.745 -9.929 1.00 22.54 C ATOM 141 CG2 VAL A 9 -4.316 13.284 -11.301 1.00 1.12 C ATOM 0 H VAL A 9 -1.906 10.949 -11.648 1.00 35.34 H new ATOM 0 HA VAL A 9 -3.150 11.891 -9.158 1.00 21.14 H new ATOM 0 HB VAL A 9 -4.683 11.224 -11.703 1.00 2.10 H new ATOM 0 HG11 VAL A 9 -6.616 12.107 -10.464 1.00 22.54 H new ATOM 0 HG12 VAL A 9 -5.890 10.704 -9.644 1.00 22.54 H new ATOM 0 HG13 VAL A 9 -5.585 12.347 -9.033 1.00 22.54 H new ATOM 0 HG21 VAL A 9 -5.214 13.626 -11.816 1.00 1.12 H new ATOM 0 HG22 VAL A 9 -4.123 13.927 -10.442 1.00 1.12 H new ATOM 0 HG23 VAL A 9 -3.467 13.326 -11.984 1.00 1.12 H new ATOM 151 N PRO A 10 -2.527 9.324 -8.954 1.00 73.33 N ATOM 152 CA PRO A 10 -2.551 7.909 -8.569 1.00 42.43 C ATOM 153 C PRO A 10 -3.741 7.571 -7.679 1.00 34.22 C ATOM 154 O PRO A 10 -3.622 7.540 -6.454 1.00 74.13 O ATOM 155 CB PRO A 10 -1.240 7.729 -7.800 1.00 44.33 C ATOM 156 CG PRO A 10 -0.916 9.087 -7.280 1.00 41.31 C ATOM 157 CD PRO A 10 -1.425 10.057 -8.310 1.00 11.40 C ATOM 0 HA PRO A 10 -2.648 7.253 -9.434 1.00 42.43 H new ATOM 0 HB2 PRO A 10 -1.353 7.011 -6.988 1.00 44.33 H new ATOM 0 HB3 PRO A 10 -0.449 7.354 -8.449 1.00 44.33 H new ATOM 0 HG2 PRO A 10 -1.391 9.259 -6.314 1.00 41.31 H new ATOM 0 HG3 PRO A 10 0.158 9.202 -7.132 1.00 41.31 H new ATOM 0 HD2 PRO A 10 -1.772 10.983 -7.853 1.00 11.40 H new ATOM 0 HD3 PRO A 10 -0.649 10.326 -9.026 1.00 11.40 H new ATOM 165 N GLN A 11 -4.888 7.317 -8.302 1.00 44.41 N ATOM 166 CA GLN A 11 -6.100 6.981 -7.565 1.00 4.24 C ATOM 167 C GLN A 11 -7.251 6.680 -8.518 1.00 71.21 C ATOM 168 O GLN A 11 -8.059 5.784 -8.270 1.00 52.20 O ATOM 169 CB GLN A 11 -6.485 8.126 -6.626 1.00 50.13 C ATOM 170 CG GLN A 11 -6.575 9.476 -7.319 1.00 5.41 C ATOM 171 CD GLN A 11 -5.788 10.554 -6.600 1.00 1.42 C ATOM 172 OE1 GLN A 11 -4.484 10.601 -6.847 1.00 43.44 O flip ATOM 173 NE2 GLN A 11 -6.346 11.337 -5.830 1.00 21.52 N flip ATOM 0 H GLN A 11 -5.003 7.338 -9.315 1.00 44.41 H new ATOM 0 HA GLN A 11 -5.900 6.087 -6.974 1.00 4.24 H new ATOM 0 HB2 GLN A 11 -7.446 7.899 -6.164 1.00 50.13 H new ATOM 0 HB3 GLN A 11 -5.752 8.188 -5.822 1.00 50.13 H new ATOM 0 HG2 GLN A 11 -6.205 9.381 -8.340 1.00 5.41 H new ATOM 0 HG3 GLN A 11 -7.620 9.777 -7.385 1.00 5.41 H new ATOM 0 HE21 GLN A 11 -7.351 11.265 -5.669 1.00 21.52 H new ATOM 0 HE22 GLN A 11 -5.803 12.057 -5.353 1.00 21.52 H new ATOM 182 N THR A 12 -7.321 7.434 -9.611 1.00 32.13 N ATOM 183 CA THR A 12 -8.374 7.249 -10.601 1.00 34.21 C ATOM 184 C THR A 12 -7.995 7.885 -11.933 1.00 43.11 C ATOM 185 O THR A 12 -7.759 7.188 -12.921 1.00 12.55 O ATOM 186 CB THR A 12 -9.709 7.849 -10.120 1.00 51.02 C ATOM 187 OG1 THR A 12 -9.865 7.632 -8.713 1.00 54.15 O ATOM 188 CG2 THR A 12 -10.881 7.230 -10.867 1.00 41.22 C ATOM 0 H THR A 12 -6.660 8.179 -9.833 1.00 32.13 H new ATOM 0 HA THR A 12 -8.495 6.174 -10.736 1.00 34.21 H new ATOM 0 HB THR A 12 -9.695 8.920 -10.323 1.00 51.02 H new ATOM 0 HG1 THR A 12 -9.531 6.740 -8.480 1.00 54.15 H new ATOM 0 HG21 THR A 12 -11.813 7.669 -10.510 1.00 41.22 H new ATOM 0 HG22 THR A 12 -10.774 7.422 -11.935 1.00 41.22 H new ATOM 0 HG23 THR A 12 -10.897 6.154 -10.692 1.00 41.22 H new ATOM 196 N PHE A 13 -7.936 9.213 -11.954 1.00 70.41 N ATOM 197 CA PHE A 13 -7.585 9.943 -13.166 1.00 43.22 C ATOM 198 C PHE A 13 -7.589 11.448 -12.915 1.00 3.24 C ATOM 199 O PHE A 13 -7.923 11.904 -11.821 1.00 64.33 O ATOM 200 CB PHE A 13 -8.560 9.601 -14.294 1.00 60.33 C ATOM 201 CG PHE A 13 -10.003 9.703 -13.891 1.00 31.43 C ATOM 202 CD1 PHE A 13 -10.563 10.930 -13.576 1.00 11.21 C ATOM 203 CD2 PHE A 13 -10.799 8.571 -13.825 1.00 75.35 C ATOM 204 CE1 PHE A 13 -11.891 11.028 -13.204 1.00 61.44 C ATOM 205 CE2 PHE A 13 -12.128 8.662 -13.455 1.00 61.11 C ATOM 206 CZ PHE A 13 -12.674 9.892 -13.143 1.00 20.30 C ATOM 0 H PHE A 13 -8.127 9.805 -11.145 1.00 70.41 H new ATOM 0 HA PHE A 13 -6.579 9.644 -13.461 1.00 43.22 H new ATOM 0 HB2 PHE A 13 -8.378 10.269 -15.136 1.00 60.33 H new ATOM 0 HB3 PHE A 13 -8.359 8.588 -14.642 1.00 60.33 H new ATOM 0 HD1 PHE A 13 -9.955 11.821 -13.622 1.00 11.21 H new ATOM 0 HD2 PHE A 13 -10.377 7.607 -14.065 1.00 75.35 H new ATOM 0 HE1 PHE A 13 -12.315 11.991 -12.962 1.00 61.44 H new ATOM 0 HE2 PHE A 13 -12.739 7.772 -13.410 1.00 61.11 H new ATOM 0 HZ PHE A 13 -13.711 9.965 -12.852 1.00 20.30 H new ATOM 216 N GLU A 14 -7.215 12.214 -13.935 1.00 24.21 N ATOM 217 CA GLU A 14 -7.174 13.667 -13.824 1.00 2.23 C ATOM 218 C GLU A 14 -8.233 14.311 -14.713 1.00 74.14 C ATOM 219 O GLU A 14 -8.714 13.699 -15.667 1.00 54.13 O ATOM 220 CB GLU A 14 -5.787 14.191 -14.203 1.00 10.12 C ATOM 221 CG GLU A 14 -5.370 15.428 -13.425 1.00 11.00 C ATOM 222 CD GLU A 14 -5.669 16.714 -14.171 1.00 4.24 C ATOM 223 OE1 GLU A 14 -5.578 16.712 -15.416 1.00 64.23 O ATOM 224 OE2 GLU A 14 -5.993 17.723 -13.509 1.00 64.44 O ATOM 0 H GLU A 14 -6.936 11.852 -14.847 1.00 24.21 H new ATOM 0 HA GLU A 14 -7.384 13.932 -12.788 1.00 2.23 H new ATOM 0 HB2 GLU A 14 -5.052 13.403 -14.037 1.00 10.12 H new ATOM 0 HB3 GLU A 14 -5.773 14.420 -15.268 1.00 10.12 H new ATOM 0 HG2 GLU A 14 -5.887 15.440 -12.465 1.00 11.00 H new ATOM 0 HG3 GLU A 14 -4.302 15.376 -13.212 1.00 11.00 H new ATOM 231 N VAL A 15 -8.593 15.550 -14.393 1.00 72.14 N ATOM 232 CA VAL A 15 -9.595 16.278 -15.163 1.00 32.12 C ATOM 233 C VAL A 15 -9.004 17.541 -15.778 1.00 53.24 C ATOM 234 O VAL A 15 -8.089 18.145 -15.221 1.00 3.04 O ATOM 235 CB VAL A 15 -10.804 16.663 -14.289 1.00 25.34 C ATOM 236 CG1 VAL A 15 -11.892 17.304 -15.135 1.00 54.21 C ATOM 237 CG2 VAL A 15 -11.338 15.443 -13.552 1.00 42.45 C ATOM 0 H VAL A 15 -8.206 16.071 -13.606 1.00 72.14 H new ATOM 0 HA VAL A 15 -9.929 15.612 -15.958 1.00 32.12 H new ATOM 0 HB VAL A 15 -10.477 17.393 -13.548 1.00 25.34 H new ATOM 0 HG11 VAL A 15 -12.738 17.569 -14.500 1.00 54.21 H new ATOM 0 HG12 VAL A 15 -11.500 18.203 -15.612 1.00 54.21 H new ATOM 0 HG13 VAL A 15 -12.219 16.601 -15.901 1.00 54.21 H new ATOM 0 HG21 VAL A 15 -12.192 15.733 -12.939 1.00 42.45 H new ATOM 0 HG22 VAL A 15 -11.649 14.689 -14.275 1.00 42.45 H new ATOM 0 HG23 VAL A 15 -10.556 15.033 -12.913 1.00 42.45 H new ATOM 247 N GLU A 16 -9.535 17.935 -16.932 1.00 12.23 N ATOM 248 CA GLU A 16 -9.059 19.127 -17.623 1.00 53.53 C ATOM 249 C GLU A 16 -9.242 20.369 -16.755 1.00 51.24 C ATOM 250 O GLU A 16 -8.272 20.938 -16.255 1.00 22.35 O ATOM 251 CB GLU A 16 -9.801 19.305 -18.950 1.00 13.14 C ATOM 252 CG GLU A 16 -9.095 20.234 -19.923 1.00 24.33 C ATOM 253 CD GLU A 16 -7.636 19.870 -20.122 1.00 71.50 C ATOM 254 OE1 GLU A 16 -7.366 18.861 -20.807 1.00 25.21 O ATOM 255 OE2 GLU A 16 -6.766 20.592 -19.593 1.00 41.34 O ATOM 0 H GLU A 16 -10.294 17.446 -17.407 1.00 12.23 H new ATOM 0 HA GLU A 16 -7.995 18.999 -17.824 1.00 53.53 H new ATOM 0 HB2 GLU A 16 -9.928 18.329 -19.419 1.00 13.14 H new ATOM 0 HB3 GLU A 16 -10.799 19.694 -18.749 1.00 13.14 H new ATOM 0 HG2 GLU A 16 -9.607 20.205 -20.885 1.00 24.33 H new ATOM 0 HG3 GLU A 16 -9.163 21.258 -19.556 1.00 24.33 H new ATOM 262 N ARG A 17 -10.493 20.784 -16.583 1.00 2.43 N ATOM 263 CA ARG A 17 -10.803 21.959 -15.777 1.00 55.34 C ATOM 264 C ARG A 17 -12.312 22.144 -15.645 1.00 53.55 C ATOM 265 O ARG A 17 -13.090 21.520 -16.368 1.00 24.53 O ATOM 266 CB ARG A 17 -10.178 23.210 -16.398 1.00 62.44 C ATOM 267 CG ARG A 17 -11.064 23.885 -17.433 1.00 20.54 C ATOM 268 CD ARG A 17 -11.411 22.939 -18.571 1.00 61.55 C ATOM 269 NE ARG A 17 -11.394 23.612 -19.867 1.00 53.41 N ATOM 270 CZ ARG A 17 -12.279 24.536 -20.226 1.00 45.42 C ATOM 271 NH1 ARG A 17 -13.244 24.895 -19.391 1.00 71.23 N ATOM 272 NH2 ARG A 17 -12.198 25.104 -21.423 1.00 5.43 N ATOM 0 H ARG A 17 -11.307 20.325 -16.990 1.00 2.43 H new ATOM 0 HA ARG A 17 -10.384 21.807 -14.782 1.00 55.34 H new ATOM 0 HB2 ARG A 17 -9.951 23.924 -15.606 1.00 62.44 H new ATOM 0 HB3 ARG A 17 -9.231 22.939 -16.864 1.00 62.44 H new ATOM 0 HG2 ARG A 17 -11.980 24.235 -16.957 1.00 20.54 H new ATOM 0 HG3 ARG A 17 -10.556 24.764 -17.831 1.00 20.54 H new ATOM 0 HD2 ARG A 17 -10.702 22.111 -18.583 1.00 61.55 H new ATOM 0 HD3 ARG A 17 -12.398 22.511 -18.398 1.00 61.55 H new ATOM 0 HE ARG A 17 -10.663 23.359 -20.532 1.00 53.41 H new ATOM 0 HH11 ARG A 17 -13.309 24.462 -18.470 1.00 71.23 H new ATOM 0 HH12 ARG A 17 -13.922 25.605 -19.670 1.00 71.23 H new ATOM 0 HH21 ARG A 17 -11.456 24.831 -22.068 1.00 5.43 H new ATOM 0 HH22 ARG A 17 -12.878 25.813 -21.698 1.00 5.43 H new ATOM 286 N ILE A 18 -12.719 23.006 -14.719 1.00 23.31 N ATOM 287 CA ILE A 18 -14.134 23.273 -14.493 1.00 43.02 C ATOM 288 C ILE A 18 -14.709 24.155 -15.596 1.00 74.32 C ATOM 289 O ILE A 18 -14.386 25.339 -15.692 1.00 21.41 O ATOM 290 CB ILE A 18 -14.368 23.955 -13.132 1.00 63.40 C ATOM 291 CG1 ILE A 18 -13.724 23.137 -12.010 1.00 60.03 C ATOM 292 CG2 ILE A 18 -15.857 24.132 -12.878 1.00 11.12 C ATOM 293 CD1 ILE A 18 -14.562 21.960 -11.563 1.00 61.44 C ATOM 0 H ILE A 18 -12.089 23.531 -14.113 1.00 23.31 H new ATOM 0 HA ILE A 18 -14.642 22.309 -14.499 1.00 43.02 H new ATOM 0 HB ILE A 18 -13.903 24.941 -13.151 1.00 63.40 H new ATOM 0 HG12 ILE A 18 -12.753 22.774 -12.347 1.00 60.03 H new ATOM 0 HG13 ILE A 18 -13.542 23.788 -11.155 1.00 60.03 H new ATOM 0 HG21 ILE A 18 -16.006 24.615 -11.912 1.00 11.12 H new ATOM 0 HG22 ILE A 18 -16.289 24.751 -13.664 1.00 11.12 H new ATOM 0 HG23 ILE A 18 -16.344 23.157 -12.875 1.00 11.12 H new ATOM 0 HD11 ILE A 18 -14.044 21.426 -10.766 1.00 61.44 H new ATOM 0 HD12 ILE A 18 -15.524 22.317 -11.195 1.00 61.44 H new ATOM 0 HD13 ILE A 18 -14.723 21.287 -12.405 1.00 61.44 H new ATOM 305 N VAL A 19 -15.567 23.570 -16.427 1.00 25.30 N ATOM 306 CA VAL A 19 -16.191 24.302 -17.522 1.00 44.42 C ATOM 307 C VAL A 19 -17.001 25.484 -17.002 1.00 31.05 C ATOM 308 O VAL A 19 -16.791 26.624 -17.415 1.00 52.32 O ATOM 309 CB VAL A 19 -17.110 23.390 -18.355 1.00 54.35 C ATOM 310 CG1 VAL A 19 -17.553 24.097 -19.627 1.00 53.05 C ATOM 311 CG2 VAL A 19 -16.409 22.080 -18.680 1.00 44.33 C ATOM 0 H VAL A 19 -15.845 22.591 -16.362 1.00 25.30 H new ATOM 0 HA VAL A 19 -15.385 24.670 -18.157 1.00 44.42 H new ATOM 0 HB VAL A 19 -17.998 23.163 -17.765 1.00 54.35 H new ATOM 0 HG11 VAL A 19 -18.202 23.437 -20.203 1.00 53.05 H new ATOM 0 HG12 VAL A 19 -18.097 25.005 -19.368 1.00 53.05 H new ATOM 0 HG13 VAL A 19 -16.678 24.356 -20.223 1.00 53.05 H new ATOM 0 HG21 VAL A 19 -17.074 21.448 -19.269 1.00 44.33 H new ATOM 0 HG22 VAL A 19 -15.503 22.284 -19.250 1.00 44.33 H new ATOM 0 HG23 VAL A 19 -16.148 21.568 -17.754 1.00 44.33 H new ATOM 321 N ARG A 20 -17.928 25.203 -16.091 1.00 42.41 N ATOM 322 CA ARG A 20 -18.771 26.243 -15.514 1.00 11.23 C ATOM 323 C ARG A 20 -19.451 25.747 -14.241 1.00 4.44 C ATOM 324 O ARG A 20 -19.147 24.663 -13.744 1.00 31.43 O ATOM 325 CB ARG A 20 -19.826 26.694 -16.525 1.00 73.04 C ATOM 326 CG ARG A 20 -20.718 25.566 -17.019 1.00 43.31 C ATOM 327 CD ARG A 20 -20.335 25.128 -18.424 1.00 21.31 C ATOM 328 NE ARG A 20 -21.503 24.973 -19.286 1.00 72.44 N ATOM 329 CZ ARG A 20 -21.452 25.042 -20.612 1.00 35.00 C ATOM 330 NH1 ARG A 20 -20.297 25.262 -21.224 1.00 11.21 N ATOM 331 NH2 ARG A 20 -22.559 24.890 -21.328 1.00 51.43 N ATOM 0 H ARG A 20 -18.114 24.265 -15.737 1.00 42.41 H new ATOM 0 HA ARG A 20 -18.135 27.091 -15.260 1.00 11.23 H new ATOM 0 HB2 ARG A 20 -20.448 27.464 -16.069 1.00 73.04 H new ATOM 0 HB3 ARG A 20 -19.326 27.151 -17.379 1.00 73.04 H new ATOM 0 HG2 ARG A 20 -20.644 24.717 -16.339 1.00 43.31 H new ATOM 0 HG3 ARG A 20 -21.758 25.892 -17.009 1.00 43.31 H new ATOM 0 HD2 ARG A 20 -19.657 25.862 -18.860 1.00 21.31 H new ATOM 0 HD3 ARG A 20 -19.793 24.183 -18.374 1.00 21.31 H new ATOM 0 HE ARG A 20 -22.407 24.802 -18.846 1.00 72.44 H new ATOM 0 HH11 ARG A 20 -19.444 25.379 -20.677 1.00 11.21 H new ATOM 0 HH12 ARG A 20 -20.261 25.314 -22.242 1.00 11.21 H new ATOM 0 HH21 ARG A 20 -23.449 24.720 -20.860 1.00 51.43 H new ATOM 0 HH22 ARG A 20 -22.519 24.943 -22.346 1.00 51.43 H new ATOM 345 N LYS A 21 -20.371 26.549 -13.717 1.00 14.51 N ATOM 346 CA LYS A 21 -21.095 26.194 -12.502 1.00 73.43 C ATOM 347 C LYS A 21 -22.482 26.830 -12.489 1.00 63.52 C ATOM 348 O LYS A 21 -22.721 27.836 -13.157 1.00 20.11 O ATOM 349 CB LYS A 21 -20.308 26.636 -11.267 1.00 31.44 C ATOM 350 CG LYS A 21 -20.284 28.141 -11.067 1.00 51.22 C ATOM 351 CD LYS A 21 -19.806 28.511 -9.673 1.00 54.51 C ATOM 352 CE LYS A 21 -20.613 29.665 -9.096 1.00 23.44 C ATOM 353 NZ LYS A 21 -20.673 30.822 -10.031 1.00 12.15 N ATOM 0 H LYS A 21 -20.633 27.451 -14.115 1.00 14.51 H new ATOM 0 HA LYS A 21 -21.211 25.110 -12.482 1.00 73.43 H new ATOM 0 HB2 LYS A 21 -20.742 26.168 -10.383 1.00 31.44 H new ATOM 0 HB3 LYS A 21 -19.284 26.273 -11.350 1.00 31.44 H new ATOM 0 HG2 LYS A 21 -19.630 28.597 -11.810 1.00 51.22 H new ATOM 0 HG3 LYS A 21 -21.283 28.546 -11.230 1.00 51.22 H new ATOM 0 HD2 LYS A 21 -19.888 27.644 -9.017 1.00 54.51 H new ATOM 0 HD3 LYS A 21 -18.752 28.785 -9.709 1.00 54.51 H new ATOM 0 HE2 LYS A 21 -21.624 29.325 -8.873 1.00 23.44 H new ATOM 0 HE3 LYS A 21 -20.169 29.983 -8.153 1.00 23.44 H new ATOM 0 HZ1 LYS A 21 -20.903 31.686 -9.500 1.00 12.15 H new ATOM 0 HZ2 LYS A 21 -19.752 30.938 -10.499 1.00 12.15 H new ATOM 0 HZ3 LYS A 21 -21.406 30.651 -10.748 1.00 12.15 H new ATOM 367 N LYS A 22 -23.392 26.237 -11.724 1.00 12.10 N ATOM 368 CA LYS A 22 -24.754 26.747 -11.621 1.00 34.41 C ATOM 369 C LYS A 22 -25.521 26.029 -10.514 1.00 53.54 C ATOM 370 O LYS A 22 -25.320 24.837 -10.280 1.00 14.54 O ATOM 371 CB LYS A 22 -25.486 26.579 -12.955 1.00 20.55 C ATOM 372 CG LYS A 22 -25.896 25.146 -13.247 1.00 30.40 C ATOM 373 CD LYS A 22 -27.401 24.963 -13.140 1.00 42.31 C ATOM 374 CE LYS A 22 -28.035 24.752 -14.506 1.00 51.44 C ATOM 375 NZ LYS A 22 -29.512 24.939 -14.467 1.00 41.41 N ATOM 0 H LYS A 22 -23.211 25.403 -11.166 1.00 12.10 H new ATOM 0 HA LYS A 22 -24.701 27.807 -11.374 1.00 34.41 H new ATOM 0 HB2 LYS A 22 -26.375 27.209 -12.954 1.00 20.55 H new ATOM 0 HB3 LYS A 22 -24.843 26.936 -13.760 1.00 20.55 H new ATOM 0 HG2 LYS A 22 -25.565 24.869 -14.248 1.00 30.40 H new ATOM 0 HG3 LYS A 22 -25.396 24.474 -12.549 1.00 30.40 H new ATOM 0 HD2 LYS A 22 -27.620 24.108 -12.500 1.00 42.31 H new ATOM 0 HD3 LYS A 22 -27.842 25.839 -12.664 1.00 42.31 H new ATOM 0 HE2 LYS A 22 -27.599 25.451 -15.220 1.00 51.44 H new ATOM 0 HE3 LYS A 22 -27.805 23.748 -14.862 1.00 51.44 H new ATOM 0 HZ1 LYS A 22 -29.906 24.787 -15.417 1.00 41.41 H new ATOM 0 HZ2 LYS A 22 -29.931 24.256 -13.804 1.00 41.41 H new ATOM 0 HZ3 LYS A 22 -29.731 25.906 -14.152 1.00 41.41 H new ATOM 389 N ILE A 23 -26.400 26.762 -9.839 1.00 54.34 N ATOM 390 CA ILE A 23 -27.199 26.195 -8.760 1.00 64.40 C ATOM 391 C ILE A 23 -28.672 26.120 -9.147 1.00 22.44 C ATOM 392 O ILE A 23 -29.162 26.934 -9.929 1.00 62.12 O ATOM 393 CB ILE A 23 -27.060 27.017 -7.465 1.00 75.12 C ATOM 394 CG1 ILE A 23 -27.994 28.228 -7.502 1.00 53.35 C ATOM 395 CG2 ILE A 23 -25.618 27.459 -7.270 1.00 1.11 C ATOM 396 CD1 ILE A 23 -29.332 27.981 -6.841 1.00 72.44 C ATOM 0 H ILE A 23 -26.577 27.750 -10.020 1.00 54.34 H new ATOM 0 HA ILE A 23 -26.821 25.188 -8.583 1.00 64.40 H new ATOM 0 HB ILE A 23 -27.343 26.388 -6.621 1.00 75.12 H new ATOM 0 HG12 ILE A 23 -27.505 29.069 -7.010 1.00 53.35 H new ATOM 0 HG13 ILE A 23 -28.159 28.518 -8.540 1.00 53.35 H new ATOM 0 HG21 ILE A 23 -25.536 28.039 -6.351 1.00 1.11 H new ATOM 0 HG22 ILE A 23 -24.974 26.582 -7.204 1.00 1.11 H new ATOM 0 HG23 ILE A 23 -25.308 28.074 -8.115 1.00 1.11 H new ATOM 0 HD11 ILE A 23 -29.941 28.882 -6.905 1.00 72.44 H new ATOM 0 HD12 ILE A 23 -29.842 27.161 -7.347 1.00 72.44 H new ATOM 0 HD13 ILE A 23 -29.178 27.721 -5.794 1.00 72.44 H new ATOM 408 N VAL A 24 -29.375 25.137 -8.591 1.00 45.41 N ATOM 409 CA VAL A 24 -30.793 24.957 -8.875 1.00 52.20 C ATOM 410 C VAL A 24 -31.573 24.642 -7.603 1.00 45.41 C ATOM 411 O VAL A 24 -31.260 23.688 -6.891 1.00 21.14 O ATOM 412 CB VAL A 24 -31.022 23.828 -9.897 1.00 31.31 C ATOM 413 CG1 VAL A 24 -32.136 24.200 -10.863 1.00 72.54 C ATOM 414 CG2 VAL A 24 -29.735 23.520 -10.647 1.00 70.31 C ATOM 0 H VAL A 24 -28.985 24.454 -7.942 1.00 45.41 H new ATOM 0 HA VAL A 24 -31.153 25.896 -9.295 1.00 52.20 H new ATOM 0 HB VAL A 24 -31.326 22.930 -9.359 1.00 31.31 H new ATOM 0 HG11 VAL A 24 -32.283 23.390 -11.578 1.00 72.54 H new ATOM 0 HG12 VAL A 24 -33.059 24.366 -10.307 1.00 72.54 H new ATOM 0 HG13 VAL A 24 -31.865 25.111 -11.397 1.00 72.54 H new ATOM 0 HG21 VAL A 24 -29.915 22.720 -11.365 1.00 70.31 H new ATOM 0 HG22 VAL A 24 -29.399 24.413 -11.175 1.00 70.31 H new ATOM 0 HG23 VAL A 24 -28.968 23.207 -9.939 1.00 70.31 H new ATOM 424 N HIS A 25 -32.590 25.451 -7.323 1.00 42.14 N ATOM 425 CA HIS A 25 -33.416 25.258 -6.137 1.00 1.41 C ATOM 426 C HIS A 25 -32.561 25.263 -4.873 1.00 60.52 C ATOM 427 O HIS A 25 -32.943 24.693 -3.852 1.00 1.55 O ATOM 428 CB HIS A 25 -34.192 23.945 -6.238 1.00 25.45 C ATOM 429 CG HIS A 25 -35.562 24.010 -5.636 1.00 44.31 C ATOM 430 ND1 HIS A 25 -36.679 24.388 -6.350 1.00 14.44 N ATOM 431 CD2 HIS A 25 -35.991 23.742 -4.381 1.00 33.21 C ATOM 432 CE1 HIS A 25 -37.737 24.351 -5.559 1.00 11.21 C ATOM 433 NE2 HIS A 25 -37.347 23.961 -4.359 1.00 4.42 N ATOM 0 H HIS A 25 -32.862 26.246 -7.901 1.00 42.14 H new ATOM 0 HA HIS A 25 -34.124 26.085 -6.079 1.00 1.41 H new ATOM 0 HB2 HIS A 25 -34.278 23.664 -7.288 1.00 25.45 H new ATOM 0 HB3 HIS A 25 -33.624 23.158 -5.743 1.00 25.45 H new ATOM 0 HD2 HIS A 25 -35.381 23.417 -3.551 1.00 33.21 H new ATOM 0 HE1 HIS A 25 -38.749 24.598 -5.845 1.00 11.21 H new ATOM 0 HE2 HIS A 25 -37.954 23.842 -3.548 1.00 4.42 H new ATOM 441 N GLY A 26 -31.401 25.908 -4.951 1.00 11.10 N ATOM 442 CA GLY A 26 -30.510 25.973 -3.807 1.00 52.13 C ATOM 443 C GLY A 26 -29.454 24.886 -3.833 1.00 3.42 C ATOM 444 O GLY A 26 -28.710 24.712 -2.869 1.00 1.14 O ATOM 0 H GLY A 26 -31.062 26.387 -5.786 1.00 11.10 H new ATOM 0 HA2 GLY A 26 -30.023 26.948 -3.784 1.00 52.13 H new ATOM 0 HA3 GLY A 26 -31.093 25.887 -2.890 1.00 52.13 H new ATOM 448 N ASN A 27 -29.389 24.152 -4.939 1.00 5.50 N ATOM 449 CA ASN A 27 -28.417 23.075 -5.085 1.00 45.12 C ATOM 450 C ASN A 27 -27.332 23.454 -6.089 1.00 25.33 C ATOM 451 O ASN A 27 -27.572 23.491 -7.296 1.00 2.20 O ATOM 452 CB ASN A 27 -29.114 21.788 -5.532 1.00 44.50 C ATOM 453 CG ASN A 27 -30.110 21.284 -4.506 1.00 3.13 C ATOM 454 OD1 ASN A 27 -29.748 20.986 -3.367 1.00 63.25 O ATOM 455 ND2 ASN A 27 -31.372 21.186 -4.905 1.00 53.42 N ATOM 0 H ASN A 27 -29.998 24.283 -5.747 1.00 5.50 H new ATOM 0 HA ASN A 27 -27.948 22.908 -4.115 1.00 45.12 H new ATOM 0 HB2 ASN A 27 -29.628 21.966 -6.477 1.00 44.50 H new ATOM 0 HB3 ASN A 27 -28.365 21.018 -5.716 1.00 44.50 H new ATOM 0 HD21 ASN A 27 -32.087 20.853 -4.258 1.00 53.42 H new ATOM 0 HD22 ASN A 27 -31.627 21.444 -5.858 1.00 53.42 H new ATOM 462 N THR A 28 -26.135 23.734 -5.581 1.00 71.40 N ATOM 463 CA THR A 28 -25.013 24.110 -6.432 1.00 21.25 C ATOM 464 C THR A 28 -24.521 22.922 -7.250 1.00 25.54 C ATOM 465 O THR A 28 -24.530 21.784 -6.778 1.00 51.51 O ATOM 466 CB THR A 28 -23.841 24.668 -5.602 1.00 34.04 C ATOM 467 OG1 THR A 28 -24.342 25.422 -4.492 1.00 75.30 O ATOM 468 CG2 THR A 28 -22.944 25.550 -6.457 1.00 14.12 C ATOM 0 H THR A 28 -25.918 23.707 -4.585 1.00 71.40 H new ATOM 0 HA THR A 28 -25.374 24.887 -7.106 1.00 21.25 H new ATOM 0 HB THR A 28 -23.253 23.827 -5.234 1.00 34.04 H new ATOM 0 HG1 THR A 28 -23.593 25.721 -3.935 1.00 75.30 H new ATOM 0 HG21 THR A 28 -22.124 25.932 -5.849 1.00 14.12 H new ATOM 0 HG22 THR A 28 -22.541 24.966 -7.284 1.00 14.12 H new ATOM 0 HG23 THR A 28 -23.523 26.385 -6.851 1.00 14.12 H new ATOM 476 N SER A 29 -24.090 23.192 -8.478 1.00 2.14 N ATOM 477 CA SER A 29 -23.596 22.144 -9.363 1.00 30.22 C ATOM 478 C SER A 29 -22.441 22.655 -10.218 1.00 64.32 C ATOM 479 O SER A 29 -22.558 23.677 -10.894 1.00 14.44 O ATOM 480 CB SER A 29 -24.724 21.633 -10.262 1.00 23.25 C ATOM 481 OG SER A 29 -25.816 21.162 -9.491 1.00 51.03 O ATOM 0 H SER A 29 -24.073 24.128 -8.883 1.00 2.14 H new ATOM 0 HA SER A 29 -23.232 21.323 -8.746 1.00 30.22 H new ATOM 0 HB2 SER A 29 -25.059 22.434 -10.922 1.00 23.25 H new ATOM 0 HB3 SER A 29 -24.351 20.831 -10.898 1.00 23.25 H new ATOM 0 HG SER A 29 -26.524 20.842 -10.088 1.00 51.03 H new ATOM 487 N TYR A 30 -21.324 21.935 -10.184 1.00 14.43 N ATOM 488 CA TYR A 30 -20.146 22.316 -10.953 1.00 62.02 C ATOM 489 C TYR A 30 -20.014 21.458 -12.208 1.00 23.24 C ATOM 490 O TYR A 30 -19.970 20.229 -12.132 1.00 53.11 O ATOM 491 CB TYR A 30 -18.886 22.183 -10.096 1.00 32.14 C ATOM 492 CG TYR A 30 -18.632 23.377 -9.203 1.00 74.32 C ATOM 493 CD1 TYR A 30 -19.635 23.883 -8.385 1.00 71.21 C ATOM 494 CD2 TYR A 30 -17.391 23.999 -9.179 1.00 4.34 C ATOM 495 CE1 TYR A 30 -19.408 24.974 -7.568 1.00 71.35 C ATOM 496 CE2 TYR A 30 -17.154 25.090 -8.364 1.00 72.32 C ATOM 497 CZ TYR A 30 -18.166 25.573 -7.561 1.00 40.32 C ATOM 498 OH TYR A 30 -17.935 26.660 -6.750 1.00 1.35 O ATOM 0 H TYR A 30 -21.211 21.085 -9.632 1.00 14.43 H new ATOM 0 HA TYR A 30 -20.263 23.356 -11.256 1.00 62.02 H new ATOM 0 HB2 TYR A 30 -18.970 21.289 -9.478 1.00 32.14 H new ATOM 0 HB3 TYR A 30 -18.026 22.039 -10.750 1.00 32.14 H new ATOM 0 HD1 TYR A 30 -20.609 23.416 -8.388 1.00 71.21 H new ATOM 0 HD2 TYR A 30 -16.597 23.624 -9.808 1.00 4.34 H new ATOM 0 HE1 TYR A 30 -20.199 25.355 -6.939 1.00 71.35 H new ATOM 0 HE2 TYR A 30 -16.182 25.561 -8.356 1.00 72.32 H new ATOM 0 HH TYR A 30 -16.992 26.675 -6.483 1.00 1.35 H new ATOM 508 N LEU A 31 -19.950 22.114 -13.361 1.00 25.31 N ATOM 509 CA LEU A 31 -19.821 21.413 -14.634 1.00 33.42 C ATOM 510 C LEU A 31 -18.357 21.285 -15.040 1.00 23.41 C ATOM 511 O LEU A 31 -17.692 22.280 -15.327 1.00 42.12 O ATOM 512 CB LEU A 31 -20.602 22.148 -15.724 1.00 74.34 C ATOM 513 CG LEU A 31 -20.791 21.392 -17.040 1.00 73.21 C ATOM 514 CD1 LEU A 31 -21.454 20.046 -16.792 1.00 33.10 C ATOM 515 CD2 LEU A 31 -21.612 22.220 -18.018 1.00 44.31 C ATOM 0 H LEU A 31 -19.985 23.130 -13.441 1.00 25.31 H new ATOM 0 HA LEU A 31 -20.233 20.411 -14.512 1.00 33.42 H new ATOM 0 HB2 LEU A 31 -21.586 22.402 -15.330 1.00 74.34 H new ATOM 0 HB3 LEU A 31 -20.092 23.087 -15.938 1.00 74.34 H new ATOM 0 HG LEU A 31 -19.809 21.215 -17.479 1.00 73.21 H new ATOM 0 HD11 LEU A 31 -21.580 19.523 -17.740 1.00 33.10 H new ATOM 0 HD12 LEU A 31 -20.828 19.449 -16.128 1.00 33.10 H new ATOM 0 HD13 LEU A 31 -22.429 20.200 -16.330 1.00 33.10 H new ATOM 0 HD21 LEU A 31 -21.736 21.666 -18.949 1.00 44.31 H new ATOM 0 HD22 LEU A 31 -22.591 22.428 -17.586 1.00 44.31 H new ATOM 0 HD23 LEU A 31 -21.098 23.159 -18.221 1.00 44.31 H new ATOM 527 N VAL A 32 -17.860 20.052 -15.064 1.00 21.25 N ATOM 528 CA VAL A 32 -16.475 19.793 -15.438 1.00 22.21 C ATOM 529 C VAL A 32 -16.394 18.801 -16.593 1.00 30.44 C ATOM 530 O VAL A 32 -17.185 17.861 -16.675 1.00 53.03 O ATOM 531 CB VAL A 32 -15.665 19.246 -14.248 1.00 23.43 C ATOM 532 CG1 VAL A 32 -16.063 17.809 -13.945 1.00 54.15 C ATOM 533 CG2 VAL A 32 -14.173 19.346 -14.528 1.00 61.31 C ATOM 0 H VAL A 32 -18.396 19.217 -14.829 1.00 21.25 H new ATOM 0 HA VAL A 32 -16.048 20.746 -15.751 1.00 22.21 H new ATOM 0 HB VAL A 32 -15.889 19.852 -13.370 1.00 23.43 H new ATOM 0 HG11 VAL A 32 -15.480 17.440 -13.101 1.00 54.15 H new ATOM 0 HG12 VAL A 32 -17.124 17.770 -13.698 1.00 54.15 H new ATOM 0 HG13 VAL A 32 -15.871 17.186 -14.819 1.00 54.15 H new ATOM 0 HG21 VAL A 32 -13.616 18.955 -13.677 1.00 61.31 H new ATOM 0 HG22 VAL A 32 -13.930 18.765 -15.418 1.00 61.31 H new ATOM 0 HG23 VAL A 32 -13.902 20.389 -14.690 1.00 61.31 H new ATOM 543 N LYS A 33 -15.432 19.015 -17.483 1.00 43.13 N ATOM 544 CA LYS A 33 -15.244 18.139 -18.634 1.00 15.30 C ATOM 545 C LYS A 33 -14.231 17.043 -18.324 1.00 24.32 C ATOM 546 O LYS A 33 -13.837 16.857 -17.172 1.00 63.55 O ATOM 547 CB LYS A 33 -14.781 18.949 -19.847 1.00 2.00 C ATOM 548 CG LYS A 33 -13.535 19.778 -19.585 1.00 70.51 C ATOM 549 CD LYS A 33 -13.094 20.530 -20.829 1.00 52.23 C ATOM 550 CE LYS A 33 -13.921 21.789 -21.042 1.00 34.23 C ATOM 551 NZ LYS A 33 -13.500 22.530 -22.263 1.00 31.13 N ATOM 0 H LYS A 33 -14.769 19.788 -17.430 1.00 43.13 H new ATOM 0 HA LYS A 33 -16.201 17.670 -18.862 1.00 15.30 H new ATOM 0 HB2 LYS A 33 -14.587 18.268 -20.675 1.00 2.00 H new ATOM 0 HB3 LYS A 33 -15.588 19.611 -20.161 1.00 2.00 H new ATOM 0 HG2 LYS A 33 -13.731 20.487 -18.781 1.00 70.51 H new ATOM 0 HG3 LYS A 33 -12.728 19.127 -19.247 1.00 70.51 H new ATOM 0 HD2 LYS A 33 -12.041 20.796 -20.740 1.00 52.23 H new ATOM 0 HD3 LYS A 33 -13.187 19.881 -21.700 1.00 52.23 H new ATOM 0 HE2 LYS A 33 -14.974 21.522 -21.125 1.00 34.23 H new ATOM 0 HE3 LYS A 33 -13.824 22.438 -20.172 1.00 34.23 H new ATOM 0 HZ1 LYS A 33 -13.811 23.520 -22.193 1.00 31.13 H new ATOM 0 HZ2 LYS A 33 -12.464 22.498 -22.348 1.00 31.13 H new ATOM 0 HZ3 LYS A 33 -13.930 22.090 -23.102 1.00 31.13 H new ATOM 565 N TRP A 34 -13.812 16.321 -19.357 1.00 42.52 N ATOM 566 CA TRP A 34 -12.842 15.244 -19.194 1.00 52.13 C ATOM 567 C TRP A 34 -11.700 15.384 -20.194 1.00 42.03 C ATOM 568 O TRP A 34 -11.838 15.027 -21.364 1.00 53.05 O ATOM 569 CB TRP A 34 -13.524 13.886 -19.367 1.00 12.00 C ATOM 570 CG TRP A 34 -14.812 13.768 -18.610 1.00 32.43 C ATOM 571 CD1 TRP A 34 -15.057 14.197 -17.337 1.00 1.14 C ATOM 572 CD2 TRP A 34 -16.031 13.179 -19.078 1.00 5.02 C ATOM 573 NE1 TRP A 34 -16.354 13.911 -16.985 1.00 51.11 N ATOM 574 CE2 TRP A 34 -16.973 13.287 -18.036 1.00 44.42 C ATOM 575 CE3 TRP A 34 -16.418 12.573 -20.276 1.00 0.11 C ATOM 576 CZ2 TRP A 34 -18.275 12.811 -18.158 1.00 71.25 C ATOM 577 CZ3 TRP A 34 -17.711 12.100 -20.396 1.00 1.44 C ATOM 578 CH2 TRP A 34 -18.627 12.222 -19.342 1.00 72.05 C ATOM 0 H TRP A 34 -14.129 16.462 -20.316 1.00 42.52 H new ATOM 0 HA TRP A 34 -12.429 15.310 -18.188 1.00 52.13 H new ATOM 0 HB2 TRP A 34 -13.717 13.716 -20.426 1.00 12.00 H new ATOM 0 HB3 TRP A 34 -12.844 13.101 -19.037 1.00 12.00 H new ATOM 0 HD1 TRP A 34 -14.337 14.689 -16.700 1.00 1.14 H new ATOM 0 HE1 TRP A 34 -16.786 14.128 -16.087 1.00 51.11 H new ATOM 0 HE3 TRP A 34 -15.719 12.476 -21.094 1.00 0.11 H new ATOM 0 HZ2 TRP A 34 -18.982 12.903 -17.347 1.00 71.25 H new ATOM 0 HZ3 TRP A 34 -18.021 11.629 -21.317 1.00 1.44 H new ATOM 0 HH2 TRP A 34 -19.631 11.844 -19.467 1.00 72.05 H new ATOM 589 N LYS A 35 -10.571 15.905 -19.727 1.00 44.40 N ATOM 590 CA LYS A 35 -9.403 16.091 -20.580 1.00 4.31 C ATOM 591 C LYS A 35 -9.817 16.518 -21.984 1.00 70.05 C ATOM 592 O LYS A 35 -9.271 16.036 -22.976 1.00 31.21 O ATOM 593 CB LYS A 35 -8.585 14.800 -20.648 1.00 64.32 C ATOM 594 CG LYS A 35 -9.302 13.662 -21.354 1.00 10.01 C ATOM 595 CD LYS A 35 -10.087 12.805 -20.375 1.00 23.02 C ATOM 596 CE LYS A 35 -9.362 11.504 -20.068 1.00 24.41 C ATOM 597 NZ LYS A 35 -7.986 11.744 -19.551 1.00 20.23 N ATOM 0 H LYS A 35 -10.440 16.206 -18.761 1.00 44.40 H new ATOM 0 HA LYS A 35 -8.789 16.880 -20.146 1.00 4.31 H new ATOM 0 HB2 LYS A 35 -7.646 15.002 -21.163 1.00 64.32 H new ATOM 0 HB3 LYS A 35 -8.332 14.486 -19.635 1.00 64.32 H new ATOM 0 HG2 LYS A 35 -9.978 14.068 -22.107 1.00 10.01 H new ATOM 0 HG3 LYS A 35 -8.575 13.043 -21.879 1.00 10.01 H new ATOM 0 HD2 LYS A 35 -10.247 13.360 -19.451 1.00 23.02 H new ATOM 0 HD3 LYS A 35 -11.071 12.585 -20.790 1.00 23.02 H new ATOM 0 HE2 LYS A 35 -9.932 10.935 -19.333 1.00 24.41 H new ATOM 0 HE3 LYS A 35 -9.310 10.896 -20.971 1.00 24.41 H new ATOM 0 HZ1 LYS A 35 -7.601 10.858 -19.165 1.00 20.23 H new ATOM 0 HZ2 LYS A 35 -7.377 12.078 -20.326 1.00 20.23 H new ATOM 0 HZ3 LYS A 35 -8.018 12.464 -18.801 1.00 20.23 H new ATOM 611 N ASN A 36 -10.785 17.426 -22.061 1.00 5.00 N ATOM 612 CA ASN A 36 -11.271 17.918 -23.345 1.00 0.23 C ATOM 613 C ASN A 36 -11.893 16.789 -24.160 1.00 34.31 C ATOM 614 O ASN A 36 -11.468 16.511 -25.282 1.00 13.44 O ATOM 615 CB ASN A 36 -10.129 18.562 -24.134 1.00 10.24 C ATOM 616 CG ASN A 36 -10.286 20.066 -24.255 1.00 73.55 C ATOM 617 OD1 ASN A 36 -10.676 20.710 -23.162 1.00 44.23 O flip ATOM 618 ND2 ASN A 36 -10.060 20.640 -25.320 1.00 13.11 N flip ATOM 0 H ASN A 36 -11.248 17.836 -21.250 1.00 5.00 H new ATOM 0 HA ASN A 36 -12.038 18.668 -23.151 1.00 0.23 H new ATOM 0 HB2 ASN A 36 -9.181 18.337 -23.645 1.00 10.24 H new ATOM 0 HB3 ASN A 36 -10.086 18.122 -25.131 1.00 10.24 H new ATOM 0 HD21 ASN A 36 -9.762 20.104 -26.135 1.00 13.11 H new ATOM 0 HD22 ASN A 36 -10.171 21.652 -25.388 1.00 13.11 H new ATOM 625 N TYR A 37 -12.903 16.141 -23.589 1.00 3.14 N ATOM 626 CA TYR A 37 -13.583 15.041 -24.261 1.00 20.41 C ATOM 627 C TYR A 37 -14.885 15.514 -24.900 1.00 41.00 C ATOM 628 O TYR A 37 -15.198 15.157 -26.036 1.00 22.34 O ATOM 629 CB TYR A 37 -13.869 13.910 -23.271 1.00 73.24 C ATOM 630 CG TYR A 37 -14.774 12.833 -23.827 1.00 42.33 C ATOM 631 CD1 TYR A 37 -16.156 12.943 -23.735 1.00 3.02 C ATOM 632 CD2 TYR A 37 -14.246 11.707 -24.446 1.00 72.43 C ATOM 633 CE1 TYR A 37 -16.986 11.961 -24.241 1.00 3.44 C ATOM 634 CE2 TYR A 37 -15.069 10.721 -24.956 1.00 64.34 C ATOM 635 CZ TYR A 37 -16.438 10.852 -24.851 1.00 5.53 C ATOM 636 OH TYR A 37 -17.261 9.873 -25.357 1.00 40.22 O ATOM 0 H TYR A 37 -13.268 16.359 -22.662 1.00 3.14 H new ATOM 0 HA TYR A 37 -12.927 14.669 -25.048 1.00 20.41 H new ATOM 0 HB2 TYR A 37 -12.925 13.458 -22.966 1.00 73.24 H new ATOM 0 HB3 TYR A 37 -14.326 14.330 -22.375 1.00 73.24 H new ATOM 0 HD1 TYR A 37 -16.589 13.811 -23.260 1.00 3.02 H new ATOM 0 HD2 TYR A 37 -13.175 11.600 -24.530 1.00 72.43 H new ATOM 0 HE1 TYR A 37 -18.058 12.061 -24.159 1.00 3.44 H new ATOM 0 HE2 TYR A 37 -14.642 9.852 -25.435 1.00 64.34 H new ATOM 0 HH TYR A 37 -16.717 9.161 -25.755 1.00 40.22 H new ATOM 646 N SER A 38 -15.640 16.321 -24.162 1.00 4.35 N ATOM 647 CA SER A 38 -16.910 16.842 -24.653 1.00 43.43 C ATOM 648 C SER A 38 -16.868 18.364 -24.758 1.00 75.14 C ATOM 649 O SER A 38 -17.142 18.932 -25.816 1.00 25.22 O ATOM 650 CB SER A 38 -18.052 16.414 -23.731 1.00 14.34 C ATOM 651 OG SER A 38 -18.846 15.408 -24.335 1.00 20.31 O ATOM 0 H SER A 38 -15.394 16.628 -23.221 1.00 4.35 H new ATOM 0 HA SER A 38 -17.083 16.431 -25.648 1.00 43.43 H new ATOM 0 HB2 SER A 38 -17.645 16.044 -22.790 1.00 14.34 H new ATOM 0 HB3 SER A 38 -18.673 17.277 -23.492 1.00 14.34 H new ATOM 0 HG SER A 38 -19.350 14.930 -23.644 1.00 20.31 H new ATOM 657 N SER A 39 -16.525 19.018 -23.653 1.00 71.13 N ATOM 658 CA SER A 39 -16.451 20.474 -23.619 1.00 34.15 C ATOM 659 C SER A 39 -17.848 21.088 -23.588 1.00 23.12 C ATOM 660 O SER A 39 -18.195 21.824 -22.664 1.00 52.01 O ATOM 661 CB SER A 39 -15.679 20.996 -24.832 1.00 30.33 C ATOM 662 OG SER A 39 -15.099 22.260 -24.562 1.00 15.42 O ATOM 0 H SER A 39 -16.294 18.563 -22.770 1.00 71.13 H new ATOM 0 HA SER A 39 -15.924 20.765 -22.710 1.00 34.15 H new ATOM 0 HB2 SER A 39 -14.899 20.285 -25.104 1.00 30.33 H new ATOM 0 HB3 SER A 39 -16.350 21.076 -25.687 1.00 30.33 H new ATOM 0 HG SER A 39 -14.610 22.571 -25.352 1.00 15.42 H new ATOM 668 N LYS A 40 -18.645 20.780 -24.605 1.00 31.41 N ATOM 669 CA LYS A 40 -20.005 21.299 -24.696 1.00 63.55 C ATOM 670 C LYS A 40 -20.967 20.452 -23.869 1.00 2.42 C ATOM 671 O LYS A 40 -22.089 20.871 -23.584 1.00 50.11 O ATOM 672 CB LYS A 40 -20.463 21.330 -26.156 1.00 51.52 C ATOM 673 CG LYS A 40 -21.038 20.011 -26.642 1.00 44.13 C ATOM 674 CD LYS A 40 -19.981 18.919 -26.669 1.00 14.12 C ATOM 675 CE LYS A 40 -20.556 17.599 -27.160 1.00 14.41 C ATOM 676 NZ LYS A 40 -19.668 16.946 -28.161 1.00 34.42 N ATOM 0 H LYS A 40 -18.373 20.173 -25.378 1.00 31.41 H new ATOM 0 HA LYS A 40 -20.008 22.314 -24.298 1.00 63.55 H new ATOM 0 HB2 LYS A 40 -21.215 22.110 -26.276 1.00 51.52 H new ATOM 0 HB3 LYS A 40 -19.617 21.603 -26.787 1.00 51.52 H new ATOM 0 HG2 LYS A 40 -21.858 19.709 -25.991 1.00 44.13 H new ATOM 0 HG3 LYS A 40 -21.455 20.140 -27.641 1.00 44.13 H new ATOM 0 HD2 LYS A 40 -19.159 19.223 -27.317 1.00 14.12 H new ATOM 0 HD3 LYS A 40 -19.567 18.787 -25.669 1.00 14.12 H new ATOM 0 HE2 LYS A 40 -20.703 16.929 -26.313 1.00 14.41 H new ATOM 0 HE3 LYS A 40 -21.537 17.772 -27.603 1.00 14.41 H new ATOM 0 HZ1 LYS A 40 -20.095 16.050 -28.471 1.00 34.42 H new ATOM 0 HZ2 LYS A 40 -19.548 17.574 -28.981 1.00 34.42 H new ATOM 0 HZ3 LYS A 40 -18.740 16.757 -27.731 1.00 34.42 H new ATOM 690 N ASP A 41 -20.520 19.262 -23.485 1.00 20.13 N ATOM 691 CA ASP A 41 -21.341 18.358 -22.687 1.00 42.02 C ATOM 692 C ASP A 41 -20.889 18.357 -21.230 1.00 13.10 C ATOM 693 O ASP A 41 -21.525 18.969 -20.373 1.00 0.12 O ATOM 694 CB ASP A 41 -21.275 16.940 -23.255 1.00 63.54 C ATOM 695 CG ASP A 41 -22.613 16.466 -23.787 1.00 51.14 C ATOM 696 OD1 ASP A 41 -23.437 15.988 -22.980 1.00 74.30 O ATOM 697 OD2 ASP A 41 -22.837 16.575 -25.011 1.00 64.20 O ATOM 0 H ASP A 41 -19.594 18.900 -23.713 1.00 20.13 H new ATOM 0 HA ASP A 41 -22.372 18.710 -22.729 1.00 42.02 H new ATOM 0 HB2 ASP A 41 -20.537 16.907 -24.056 1.00 63.54 H new ATOM 0 HB3 ASP A 41 -20.933 16.256 -22.478 1.00 63.54 H new ATOM 702 N ASN A 42 -19.788 17.665 -20.957 1.00 71.44 N ATOM 703 CA ASN A 42 -19.252 17.583 -19.603 1.00 74.44 C ATOM 704 C ASN A 42 -20.303 17.049 -18.634 1.00 61.32 C ATOM 705 O ASN A 42 -21.472 16.898 -18.989 1.00 75.12 O ATOM 706 CB ASN A 42 -18.767 18.958 -19.140 1.00 72.34 C ATOM 707 CG ASN A 42 -18.532 19.908 -20.299 1.00 20.04 C ATOM 708 OD1 ASN A 42 -17.840 19.573 -21.260 1.00 3.10 O ATOM 709 ND2 ASN A 42 -19.109 21.101 -20.211 1.00 63.04 N ATOM 0 H ASN A 42 -19.249 17.153 -21.655 1.00 71.44 H new ATOM 0 HA ASN A 42 -18.409 16.893 -19.614 1.00 74.44 H new ATOM 0 HB2 ASN A 42 -19.503 19.391 -18.462 1.00 72.34 H new ATOM 0 HB3 ASN A 42 -17.842 18.843 -18.575 1.00 72.34 H new ATOM 0 HD21 ASN A 42 -18.987 21.783 -20.959 1.00 63.04 H new ATOM 0 HD22 ASN A 42 -19.674 21.335 -19.395 1.00 63.04 H new ATOM 716 N THR A 43 -19.878 16.764 -17.407 1.00 1.50 N ATOM 717 CA THR A 43 -20.780 16.247 -16.386 1.00 54.23 C ATOM 718 C THR A 43 -20.986 17.263 -15.268 1.00 73.14 C ATOM 719 O THR A 43 -20.194 18.191 -15.107 1.00 24.34 O ATOM 720 CB THR A 43 -20.250 14.934 -15.780 1.00 43.32 C ATOM 721 OG1 THR A 43 -21.100 14.510 -14.709 1.00 1.42 O ATOM 722 CG2 THR A 43 -18.828 15.111 -15.267 1.00 75.22 C ATOM 0 H THR A 43 -18.914 16.883 -17.096 1.00 1.50 H new ATOM 0 HA THR A 43 -21.734 16.053 -16.877 1.00 54.23 H new ATOM 0 HB THR A 43 -20.246 14.174 -16.561 1.00 43.32 H new ATOM 0 HG1 THR A 43 -20.757 13.674 -14.330 1.00 1.42 H new ATOM 0 HG21 THR A 43 -18.474 14.171 -14.843 1.00 75.22 H new ATOM 0 HG22 THR A 43 -18.178 15.405 -16.091 1.00 75.22 H new ATOM 0 HG23 THR A 43 -18.812 15.884 -14.499 1.00 75.22 H new ATOM 730 N TRP A 44 -22.054 17.081 -14.500 1.00 1.12 N ATOM 731 CA TRP A 44 -22.363 17.983 -13.396 1.00 21.44 C ATOM 732 C TRP A 44 -22.058 17.325 -12.054 1.00 70.03 C ATOM 733 O TRP A 44 -22.485 16.201 -11.794 1.00 32.15 O ATOM 734 CB TRP A 44 -23.833 18.403 -13.449 1.00 64.23 C ATOM 735 CG TRP A 44 -24.321 18.681 -14.839 1.00 25.11 C ATOM 736 CD1 TRP A 44 -24.304 19.882 -15.488 1.00 44.14 C ATOM 737 CD2 TRP A 44 -24.899 17.739 -15.749 1.00 32.25 C ATOM 738 NE1 TRP A 44 -24.837 19.744 -16.747 1.00 61.41 N ATOM 739 CE2 TRP A 44 -25.209 18.438 -16.931 1.00 50.24 C ATOM 740 CE3 TRP A 44 -25.184 16.372 -15.680 1.00 1.51 C ATOM 741 CZ2 TRP A 44 -25.790 17.816 -18.033 1.00 42.03 C ATOM 742 CZ3 TRP A 44 -25.761 15.756 -16.774 1.00 44.53 C ATOM 743 CH2 TRP A 44 -26.058 16.477 -17.938 1.00 41.54 C ATOM 0 H TRP A 44 -22.720 16.318 -14.621 1.00 1.12 H new ATOM 0 HA TRP A 44 -21.736 18.869 -13.497 1.00 21.44 H new ATOM 0 HB2 TRP A 44 -24.445 17.616 -13.007 1.00 64.23 H new ATOM 0 HB3 TRP A 44 -23.971 19.295 -12.838 1.00 64.23 H new ATOM 0 HD1 TRP A 44 -23.927 20.805 -15.073 1.00 44.14 H new ATOM 0 HE1 TRP A 44 -24.939 20.492 -17.433 1.00 61.41 H new ATOM 0 HE3 TRP A 44 -24.957 15.808 -14.788 1.00 1.51 H new ATOM 0 HZ2 TRP A 44 -26.021 18.370 -18.931 1.00 42.03 H new ATOM 0 HZ3 TRP A 44 -25.987 14.701 -16.731 1.00 44.53 H new ATOM 0 HH2 TRP A 44 -26.507 15.966 -18.777 1.00 41.54 H new ATOM 754 N GLU A 45 -21.317 18.033 -11.207 1.00 53.14 N ATOM 755 CA GLU A 45 -20.956 17.516 -9.893 1.00 22.21 C ATOM 756 C GLU A 45 -21.194 18.565 -8.811 1.00 2.21 C ATOM 757 O GLU A 45 -20.653 19.670 -8.871 1.00 52.10 O ATOM 758 CB GLU A 45 -19.490 17.076 -9.879 1.00 13.12 C ATOM 759 CG GLU A 45 -19.227 15.810 -10.676 1.00 31.51 C ATOM 760 CD GLU A 45 -19.020 14.596 -9.791 1.00 23.20 C ATOM 761 OE1 GLU A 45 -20.028 14.008 -9.345 1.00 43.31 O ATOM 762 OE2 GLU A 45 -17.851 14.234 -9.544 1.00 64.41 O ATOM 0 H GLU A 45 -20.955 18.965 -11.408 1.00 53.14 H new ATOM 0 HA GLU A 45 -21.589 16.654 -9.684 1.00 22.21 H new ATOM 0 HB2 GLU A 45 -18.874 17.881 -10.279 1.00 13.12 H new ATOM 0 HB3 GLU A 45 -19.177 16.917 -8.847 1.00 13.12 H new ATOM 0 HG2 GLU A 45 -20.066 15.627 -11.347 1.00 31.51 H new ATOM 0 HG3 GLU A 45 -18.345 15.955 -11.300 1.00 31.51 H new ATOM 769 N THR A 46 -22.008 18.212 -7.821 1.00 22.11 N ATOM 770 CA THR A 46 -22.320 19.122 -6.726 1.00 43.12 C ATOM 771 C THR A 46 -21.078 19.879 -6.269 1.00 64.52 C ATOM 772 O THR A 46 -19.964 19.361 -6.341 1.00 23.20 O ATOM 773 CB THR A 46 -22.920 18.370 -5.524 1.00 21.44 C ATOM 774 OG1 THR A 46 -22.541 16.989 -5.571 1.00 11.54 O ATOM 775 CG2 THR A 46 -24.437 18.484 -5.516 1.00 2.31 C ATOM 0 H THR A 46 -22.463 17.302 -7.755 1.00 22.11 H new ATOM 0 HA THR A 46 -23.056 19.831 -7.105 1.00 43.12 H new ATOM 0 HB THR A 46 -22.533 18.822 -4.611 1.00 21.44 H new ATOM 0 HG1 THR A 46 -22.829 16.542 -4.748 1.00 11.54 H new ATOM 0 HG21 THR A 46 -24.838 17.945 -4.658 1.00 2.31 H new ATOM 0 HG22 THR A 46 -24.723 19.534 -5.451 1.00 2.31 H new ATOM 0 HG23 THR A 46 -24.839 18.055 -6.434 1.00 2.31 H new ATOM 783 N GLU A 47 -21.277 21.106 -5.799 1.00 33.21 N ATOM 784 CA GLU A 47 -20.172 21.933 -5.330 1.00 64.23 C ATOM 785 C GLU A 47 -19.430 21.251 -4.184 1.00 13.43 C ATOM 786 O GLU A 47 -18.271 21.561 -3.909 1.00 0.33 O ATOM 787 CB GLU A 47 -20.685 23.301 -4.878 1.00 51.51 C ATOM 788 CG GLU A 47 -19.708 24.055 -3.991 1.00 55.54 C ATOM 789 CD GLU A 47 -20.207 25.438 -3.618 1.00 40.14 C ATOM 790 OE1 GLU A 47 -21.434 25.661 -3.672 1.00 53.53 O ATOM 791 OE2 GLU A 47 -19.369 26.297 -3.272 1.00 63.22 O ATOM 0 H GLU A 47 -22.193 21.549 -5.733 1.00 33.21 H new ATOM 0 HA GLU A 47 -19.477 22.070 -6.159 1.00 64.23 H new ATOM 0 HB2 GLU A 47 -20.905 23.906 -5.758 1.00 51.51 H new ATOM 0 HB3 GLU A 47 -21.623 23.168 -4.340 1.00 51.51 H new ATOM 0 HG2 GLU A 47 -19.529 23.480 -3.082 1.00 55.54 H new ATOM 0 HG3 GLU A 47 -18.751 24.144 -4.505 1.00 55.54 H new ATOM 798 N ASP A 48 -20.108 20.323 -3.518 1.00 60.43 N ATOM 799 CA ASP A 48 -19.515 19.596 -2.402 1.00 2.25 C ATOM 800 C ASP A 48 -18.965 18.249 -2.860 1.00 74.11 C ATOM 801 O ASP A 48 -18.336 17.528 -2.086 1.00 34.35 O ATOM 802 CB ASP A 48 -20.548 19.389 -1.293 1.00 75.05 C ATOM 803 CG ASP A 48 -19.910 19.240 0.073 1.00 21.44 C ATOM 804 OD1 ASP A 48 -19.439 18.127 0.389 1.00 2.33 O ATOM 805 OD2 ASP A 48 -19.882 20.235 0.828 1.00 71.14 O ATOM 0 H ASP A 48 -21.069 20.056 -3.732 1.00 60.43 H new ATOM 0 HA ASP A 48 -18.689 20.191 -2.012 1.00 2.25 H new ATOM 0 HB2 ASP A 48 -21.236 20.234 -1.279 1.00 75.05 H new ATOM 0 HB3 ASP A 48 -21.140 18.500 -1.513 1.00 75.05 H new ATOM 810 N ASP A 49 -19.208 17.916 -4.123 1.00 32.21 N ATOM 811 CA ASP A 49 -18.738 16.655 -4.685 1.00 61.00 C ATOM 812 C ASP A 49 -17.731 16.901 -5.804 1.00 43.11 C ATOM 813 O ASP A 49 -17.118 15.965 -6.318 1.00 73.50 O ATOM 814 CB ASP A 49 -19.917 15.837 -5.214 1.00 23.51 C ATOM 815 CG ASP A 49 -19.600 14.357 -5.304 1.00 61.33 C ATOM 816 OD1 ASP A 49 -19.501 13.705 -4.243 1.00 71.25 O ATOM 817 OD2 ASP A 49 -19.452 13.850 -6.436 1.00 4.31 O ATOM 0 H ASP A 49 -19.728 18.502 -4.777 1.00 32.21 H new ATOM 0 HA ASP A 49 -18.243 16.094 -3.892 1.00 61.00 H new ATOM 0 HB2 ASP A 49 -20.778 15.982 -4.562 1.00 23.51 H new ATOM 0 HB3 ASP A 49 -20.198 16.206 -6.200 1.00 23.51 H new ATOM 822 N ILE A 50 -17.566 18.166 -6.177 1.00 25.41 N ATOM 823 CA ILE A 50 -16.633 18.534 -7.235 1.00 1.02 C ATOM 824 C ILE A 50 -15.297 18.988 -6.656 1.00 51.24 C ATOM 825 O ILE A 50 -14.240 18.725 -7.229 1.00 65.10 O ATOM 826 CB ILE A 50 -17.203 19.656 -8.122 1.00 72.15 C ATOM 827 CG1 ILE A 50 -16.248 19.956 -9.279 1.00 42.23 C ATOM 828 CG2 ILE A 50 -17.454 20.909 -7.297 1.00 32.23 C ATOM 829 CD1 ILE A 50 -16.782 19.534 -10.630 1.00 35.22 C ATOM 0 H ILE A 50 -18.066 18.953 -5.763 1.00 25.41 H new ATOM 0 HA ILE A 50 -16.479 17.643 -7.844 1.00 1.02 H new ATOM 0 HB ILE A 50 -18.154 19.322 -8.537 1.00 72.15 H new ATOM 0 HG12 ILE A 50 -16.039 21.026 -9.298 1.00 42.23 H new ATOM 0 HG13 ILE A 50 -15.300 19.449 -9.098 1.00 42.23 H new ATOM 0 HG21 ILE A 50 -17.857 21.693 -7.939 1.00 32.23 H new ATOM 0 HG22 ILE A 50 -18.169 20.686 -6.505 1.00 32.23 H new ATOM 0 HG23 ILE A 50 -16.517 21.248 -6.855 1.00 32.23 H new ATOM 0 HD11 ILE A 50 -16.052 19.778 -11.402 1.00 35.22 H new ATOM 0 HD12 ILE A 50 -16.965 18.459 -10.630 1.00 35.22 H new ATOM 0 HD13 ILE A 50 -17.715 20.061 -10.833 1.00 35.22 H new ATOM 841 N ARG A 51 -15.353 19.670 -5.517 1.00 40.42 N ATOM 842 CA ARG A 51 -14.147 20.161 -4.860 1.00 73.34 C ATOM 843 C ARG A 51 -13.440 19.035 -4.111 1.00 52.13 C ATOM 844 O ARG A 51 -12.259 19.142 -3.778 1.00 35.23 O ATOM 845 CB ARG A 51 -14.493 21.293 -3.892 1.00 52.51 C ATOM 846 CG ARG A 51 -14.699 20.829 -2.460 1.00 21.23 C ATOM 847 CD ARG A 51 -15.990 20.039 -2.310 1.00 10.50 C ATOM 848 NE ARG A 51 -16.078 19.375 -1.013 1.00 20.15 N ATOM 849 CZ ARG A 51 -16.267 20.021 0.133 1.00 64.22 C ATOM 850 NH1 ARG A 51 -16.387 21.341 0.141 1.00 41.20 N ATOM 851 NH2 ARG A 51 -16.336 19.346 1.273 1.00 22.30 N ATOM 0 H ARG A 51 -16.220 19.895 -5.030 1.00 40.42 H new ATOM 0 HA ARG A 51 -13.474 20.542 -5.628 1.00 73.34 H new ATOM 0 HB2 ARG A 51 -13.694 22.034 -3.913 1.00 52.51 H new ATOM 0 HB3 ARG A 51 -15.399 21.791 -4.237 1.00 52.51 H new ATOM 0 HG2 ARG A 51 -13.855 20.211 -2.152 1.00 21.23 H new ATOM 0 HG3 ARG A 51 -14.721 21.693 -1.796 1.00 21.23 H new ATOM 0 HD2 ARG A 51 -16.841 20.709 -2.433 1.00 10.50 H new ATOM 0 HD3 ARG A 51 -16.053 19.294 -3.103 1.00 10.50 H new ATOM 0 HE ARG A 51 -15.990 18.359 -0.985 1.00 20.15 H new ATOM 0 HH11 ARG A 51 -16.334 21.863 -0.734 1.00 41.20 H new ATOM 0 HH12 ARG A 51 -16.532 21.835 1.022 1.00 41.20 H new ATOM 0 HH21 ARG A 51 -16.244 18.330 1.271 1.00 22.30 H new ATOM 0 HH22 ARG A 51 -16.481 19.843 2.152 1.00 22.30 H new ATOM 865 N THR A 52 -14.170 17.955 -3.849 1.00 14.50 N ATOM 866 CA THR A 52 -13.615 16.811 -3.138 1.00 65.02 C ATOM 867 C THR A 52 -12.971 15.823 -4.105 1.00 5.54 C ATOM 868 O THR A 52 -12.027 15.117 -3.750 1.00 23.03 O ATOM 869 CB THR A 52 -14.695 16.080 -2.319 1.00 23.21 C ATOM 870 OG1 THR A 52 -14.092 15.062 -1.511 1.00 51.52 O ATOM 871 CG2 THR A 52 -15.738 15.456 -3.234 1.00 12.44 C ATOM 0 H THR A 52 -15.148 17.849 -4.119 1.00 14.50 H new ATOM 0 HA THR A 52 -12.856 17.199 -2.459 1.00 65.02 H new ATOM 0 HB THR A 52 -15.188 16.809 -1.676 1.00 23.21 H new ATOM 0 HG1 THR A 52 -14.785 14.603 -0.992 1.00 51.52 H new ATOM 0 HG21 THR A 52 -16.490 14.945 -2.633 1.00 12.44 H new ATOM 0 HG22 THR A 52 -16.215 16.236 -3.827 1.00 12.44 H new ATOM 0 HG23 THR A 52 -15.256 14.739 -3.899 1.00 12.44 H new ATOM 879 N LYS A 53 -13.486 15.779 -5.329 1.00 3.15 N ATOM 880 CA LYS A 53 -12.960 14.879 -6.348 1.00 40.43 C ATOM 881 C LYS A 53 -12.068 15.632 -7.330 1.00 41.03 C ATOM 882 O LYS A 53 -11.093 15.083 -7.844 1.00 5.42 O ATOM 883 CB LYS A 53 -14.108 14.202 -7.101 1.00 44.41 C ATOM 884 CG LYS A 53 -15.051 13.424 -6.200 1.00 43.21 C ATOM 885 CD LYS A 53 -16.402 13.209 -6.860 1.00 53.33 C ATOM 886 CE LYS A 53 -16.485 11.846 -7.529 1.00 35.52 C ATOM 887 NZ LYS A 53 -16.142 11.915 -8.976 1.00 50.31 N ATOM 0 H LYS A 53 -14.267 16.356 -5.639 1.00 3.15 H new ATOM 0 HA LYS A 53 -12.360 14.117 -5.850 1.00 40.43 H new ATOM 0 HB2 LYS A 53 -14.676 14.961 -7.639 1.00 44.41 H new ATOM 0 HB3 LYS A 53 -13.693 13.526 -7.848 1.00 44.41 H new ATOM 0 HG2 LYS A 53 -14.607 12.459 -5.954 1.00 43.21 H new ATOM 0 HG3 LYS A 53 -15.185 13.962 -5.261 1.00 43.21 H new ATOM 0 HD2 LYS A 53 -17.191 13.298 -6.113 1.00 53.33 H new ATOM 0 HD3 LYS A 53 -16.575 13.990 -7.600 1.00 53.33 H new ATOM 0 HE2 LYS A 53 -15.808 11.154 -7.028 1.00 35.52 H new ATOM 0 HE3 LYS A 53 -17.492 11.446 -7.414 1.00 35.52 H new ATOM 0 HZ1 LYS A 53 -16.403 11.021 -9.438 1.00 50.31 H new ATOM 0 HZ2 LYS A 53 -16.663 12.699 -9.419 1.00 50.31 H new ATOM 0 HZ3 LYS A 53 -15.120 12.074 -9.083 1.00 50.31 H new ATOM 901 N TYR A 54 -12.407 16.891 -7.586 1.00 33.52 N ATOM 902 CA TYR A 54 -11.637 17.718 -8.507 1.00 34.10 C ATOM 903 C TYR A 54 -11.266 19.050 -7.863 1.00 14.13 C ATOM 904 O TYR A 54 -11.187 20.077 -8.535 1.00 14.40 O ATOM 905 CB TYR A 54 -12.432 17.963 -9.791 1.00 2.41 C ATOM 906 CG TYR A 54 -13.159 16.738 -10.296 1.00 55.12 C ATOM 907 CD1 TYR A 54 -12.467 15.576 -10.613 1.00 44.11 C ATOM 908 CD2 TYR A 54 -14.539 16.743 -10.458 1.00 34.51 C ATOM 909 CE1 TYR A 54 -13.127 14.454 -11.076 1.00 0.31 C ATOM 910 CE2 TYR A 54 -15.208 15.625 -10.919 1.00 12.15 C ATOM 911 CZ TYR A 54 -14.498 14.484 -11.226 1.00 63.44 C ATOM 912 OH TYR A 54 -15.160 13.369 -11.687 1.00 31.11 O ATOM 0 H TYR A 54 -13.210 17.361 -7.168 1.00 33.52 H new ATOM 0 HA TYR A 54 -10.718 17.186 -8.752 1.00 34.10 H new ATOM 0 HB2 TYR A 54 -13.157 18.758 -9.614 1.00 2.41 H new ATOM 0 HB3 TYR A 54 -11.753 18.318 -10.567 1.00 2.41 H new ATOM 0 HD1 TYR A 54 -11.394 15.549 -10.495 1.00 44.11 H new ATOM 0 HD2 TYR A 54 -15.098 17.636 -10.220 1.00 34.51 H new ATOM 0 HE1 TYR A 54 -12.573 13.559 -11.319 1.00 0.31 H new ATOM 0 HE2 TYR A 54 -16.281 15.645 -11.038 1.00 12.15 H new ATOM 0 HH TYR A 54 -16.121 13.555 -11.734 1.00 31.11 H new ATOM 922 N GLY A 55 -11.039 19.024 -6.553 1.00 22.32 N ATOM 923 CA GLY A 55 -10.678 20.234 -5.838 1.00 11.00 C ATOM 924 C GLY A 55 -9.519 20.966 -6.485 1.00 24.55 C ATOM 925 O GLY A 55 -9.339 22.165 -6.275 1.00 44.34 O ATOM 0 H GLY A 55 -11.099 18.186 -5.974 1.00 22.32 H new ATOM 0 HA2 GLY A 55 -11.542 20.897 -5.792 1.00 11.00 H new ATOM 0 HA3 GLY A 55 -10.416 19.981 -4.811 1.00 11.00 H new ATOM 929 N ASP A 56 -8.729 20.242 -7.271 1.00 32.14 N ATOM 930 CA ASP A 56 -7.580 20.829 -7.949 1.00 40.35 C ATOM 931 C ASP A 56 -8.015 21.965 -8.871 1.00 30.23 C ATOM 932 O ASP A 56 -7.510 23.084 -8.775 1.00 42.14 O ATOM 933 CB ASP A 56 -6.834 19.762 -8.752 1.00 74.00 C ATOM 934 CG ASP A 56 -5.354 19.721 -8.426 1.00 54.10 C ATOM 935 OD1 ASP A 56 -4.974 18.998 -7.481 1.00 73.55 O ATOM 936 OD2 ASP A 56 -4.576 20.412 -9.116 1.00 30.11 O ATOM 0 H ASP A 56 -8.864 19.248 -7.454 1.00 32.14 H new ATOM 0 HA ASP A 56 -6.911 21.236 -7.191 1.00 40.35 H new ATOM 0 HB2 ASP A 56 -7.275 18.786 -8.550 1.00 74.00 H new ATOM 0 HB3 ASP A 56 -6.963 19.956 -9.817 1.00 74.00 H new ATOM 941 N LEU A 57 -8.954 21.669 -9.763 1.00 1.13 N ATOM 942 CA LEU A 57 -9.457 22.665 -10.703 1.00 22.12 C ATOM 943 C LEU A 57 -10.539 23.525 -10.058 1.00 21.11 C ATOM 944 O LEU A 57 -10.677 24.707 -10.372 1.00 44.24 O ATOM 945 CB LEU A 57 -10.011 21.980 -11.953 1.00 54.22 C ATOM 946 CG LEU A 57 -10.612 20.589 -11.746 1.00 44.14 C ATOM 947 CD1 LEU A 57 -11.789 20.371 -12.684 1.00 12.23 C ATOM 948 CD2 LEU A 57 -9.554 19.515 -11.957 1.00 51.30 C ATOM 0 H LEU A 57 -9.382 20.748 -9.855 1.00 1.13 H new ATOM 0 HA LEU A 57 -8.627 23.312 -10.988 1.00 22.12 H new ATOM 0 HB2 LEU A 57 -10.776 22.624 -12.387 1.00 54.22 H new ATOM 0 HB3 LEU A 57 -9.208 21.901 -12.686 1.00 54.22 H new ATOM 0 HG LEU A 57 -10.974 20.519 -10.720 1.00 44.14 H new ATOM 0 HD11 LEU A 57 -12.204 19.376 -12.522 1.00 12.23 H new ATOM 0 HD12 LEU A 57 -12.556 21.120 -12.486 1.00 12.23 H new ATOM 0 HD13 LEU A 57 -11.452 20.460 -13.717 1.00 12.23 H new ATOM 0 HD21 LEU A 57 -9.999 18.531 -11.806 1.00 51.30 H new ATOM 0 HD22 LEU A 57 -9.163 19.584 -12.972 1.00 51.30 H new ATOM 0 HD23 LEU A 57 -8.742 19.659 -11.244 1.00 51.30 H new ATOM 960 N VAL A 58 -11.304 22.924 -9.152 1.00 61.20 N ATOM 961 CA VAL A 58 -12.372 23.635 -8.460 1.00 3.33 C ATOM 962 C VAL A 58 -11.847 24.905 -7.798 1.00 74.31 C ATOM 963 O VAL A 58 -12.490 25.954 -7.848 1.00 64.12 O ATOM 964 CB VAL A 58 -13.035 22.748 -7.390 1.00 13.34 C ATOM 965 CG1 VAL A 58 -14.088 23.534 -6.622 1.00 61.23 C ATOM 966 CG2 VAL A 58 -13.643 21.509 -8.028 1.00 75.30 C ATOM 0 H VAL A 58 -11.204 21.946 -8.880 1.00 61.20 H new ATOM 0 HA VAL A 58 -13.115 23.901 -9.212 1.00 3.33 H new ATOM 0 HB VAL A 58 -12.269 22.427 -6.684 1.00 13.34 H new ATOM 0 HG11 VAL A 58 -14.546 22.891 -5.870 1.00 61.23 H new ATOM 0 HG12 VAL A 58 -13.620 24.388 -6.132 1.00 61.23 H new ATOM 0 HG13 VAL A 58 -14.854 23.887 -7.312 1.00 61.23 H new ATOM 0 HG21 VAL A 58 -14.107 20.894 -7.257 1.00 75.30 H new ATOM 0 HG22 VAL A 58 -14.397 21.808 -8.757 1.00 75.30 H new ATOM 0 HG23 VAL A 58 -12.862 20.936 -8.528 1.00 75.30 H new ATOM 976 N ASP A 59 -10.677 24.802 -7.179 1.00 4.10 N ATOM 977 CA ASP A 59 -10.064 25.943 -6.508 1.00 61.20 C ATOM 978 C ASP A 59 -9.352 26.845 -7.511 1.00 25.10 C ATOM 979 O ASP A 59 -8.678 27.802 -7.130 1.00 42.44 O ATOM 980 CB ASP A 59 -9.077 25.465 -5.442 1.00 64.32 C ATOM 981 CG ASP A 59 -9.773 24.916 -4.212 1.00 40.23 C ATOM 982 OD1 ASP A 59 -10.953 24.524 -4.325 1.00 30.13 O ATOM 983 OD2 ASP A 59 -9.138 24.880 -3.137 1.00 72.12 O ATOM 0 H ASP A 59 -10.133 23.940 -7.127 1.00 4.10 H new ATOM 0 HA ASP A 59 -10.855 26.518 -6.027 1.00 61.20 H new ATOM 0 HB2 ASP A 59 -8.434 24.694 -5.866 1.00 64.32 H new ATOM 0 HB3 ASP A 59 -8.432 26.294 -5.151 1.00 64.32 H new ATOM 988 N ASP A 60 -9.504 26.532 -8.793 1.00 33.11 N ATOM 989 CA ASP A 60 -8.876 27.314 -9.851 1.00 43.01 C ATOM 990 C ASP A 60 -9.925 28.044 -10.684 1.00 0.14 C ATOM 991 O ASP A 60 -9.618 29.015 -11.376 1.00 10.25 O ATOM 992 CB ASP A 60 -8.032 26.409 -10.751 1.00 10.44 C ATOM 993 CG ASP A 60 -6.608 26.908 -10.901 1.00 52.11 C ATOM 994 OD1 ASP A 60 -6.379 27.801 -11.744 1.00 24.54 O ATOM 995 OD2 ASP A 60 -5.723 26.405 -10.177 1.00 14.21 O ATOM 0 H ASP A 60 -10.057 25.742 -9.125 1.00 33.11 H new ATOM 0 HA ASP A 60 -8.228 28.056 -9.384 1.00 43.01 H new ATOM 0 HB2 ASP A 60 -8.019 25.401 -10.338 1.00 10.44 H new ATOM 0 HB3 ASP A 60 -8.497 26.344 -11.735 1.00 10.44 H new ATOM 1000 N PHE A 61 -11.164 27.570 -10.613 1.00 33.33 N ATOM 1001 CA PHE A 61 -12.259 28.176 -11.361 1.00 70.13 C ATOM 1002 C PHE A 61 -13.095 29.083 -10.464 1.00 1.54 C ATOM 1003 O PHE A 61 -13.228 30.279 -10.724 1.00 71.43 O ATOM 1004 CB PHE A 61 -13.146 27.092 -11.977 1.00 21.30 C ATOM 1005 CG PHE A 61 -14.412 27.626 -12.583 1.00 70.34 C ATOM 1006 CD1 PHE A 61 -14.430 28.085 -13.891 1.00 23.33 C ATOM 1007 CD2 PHE A 61 -15.585 27.668 -11.847 1.00 4.35 C ATOM 1008 CE1 PHE A 61 -15.593 28.577 -14.451 1.00 12.33 C ATOM 1009 CE2 PHE A 61 -16.751 28.159 -12.401 1.00 53.54 C ATOM 1010 CZ PHE A 61 -16.756 28.614 -13.706 1.00 23.43 C ATOM 0 H PHE A 61 -11.435 26.768 -10.045 1.00 33.33 H new ATOM 0 HA PHE A 61 -11.829 28.781 -12.159 1.00 70.13 H new ATOM 0 HB2 PHE A 61 -12.580 26.563 -12.744 1.00 21.30 H new ATOM 0 HB3 PHE A 61 -13.400 26.362 -11.209 1.00 21.30 H new ATOM 0 HD1 PHE A 61 -13.524 28.058 -14.479 1.00 23.33 H new ATOM 0 HD2 PHE A 61 -15.588 27.312 -10.827 1.00 4.35 H new ATOM 0 HE1 PHE A 61 -15.593 28.933 -15.471 1.00 12.33 H new ATOM 0 HE2 PHE A 61 -17.658 28.187 -11.815 1.00 53.54 H new ATOM 0 HZ PHE A 61 -17.667 28.997 -14.142 1.00 23.43 H new ATOM 1020 N GLU A 62 -13.656 28.506 -9.406 1.00 21.41 N ATOM 1021 CA GLU A 62 -14.480 29.262 -8.470 1.00 60.04 C ATOM 1022 C GLU A 62 -13.658 30.339 -7.769 1.00 4.12 C ATOM 1023 O GLU A 62 -14.158 31.425 -7.474 1.00 23.35 O ATOM 1024 CB GLU A 62 -15.104 28.326 -7.434 1.00 34.51 C ATOM 1025 CG GLU A 62 -14.127 27.859 -6.368 1.00 70.44 C ATOM 1026 CD GLU A 62 -14.135 28.747 -5.140 1.00 3.51 C ATOM 1027 OE1 GLU A 62 -14.695 29.861 -5.216 1.00 31.32 O ATOM 1028 OE2 GLU A 62 -13.580 28.329 -4.102 1.00 71.21 O ATOM 0 H GLU A 62 -13.555 27.518 -9.176 1.00 21.41 H new ATOM 0 HA GLU A 62 -15.275 29.747 -9.036 1.00 60.04 H new ATOM 0 HB2 GLU A 62 -15.938 28.836 -6.952 1.00 34.51 H new ATOM 0 HB3 GLU A 62 -15.515 27.455 -7.945 1.00 34.51 H new ATOM 0 HG2 GLU A 62 -14.375 26.839 -6.075 1.00 70.44 H new ATOM 0 HG3 GLU A 62 -13.121 27.835 -6.788 1.00 70.44 H new ATOM 1035 N LYS A 63 -12.393 30.031 -7.504 1.00 63.40 N ATOM 1036 CA LYS A 63 -11.499 30.970 -6.838 1.00 2.41 C ATOM 1037 C LYS A 63 -11.151 32.136 -7.758 1.00 15.40 C ATOM 1038 O LYS A 63 -10.578 33.134 -7.322 1.00 33.32 O ATOM 1039 CB LYS A 63 -10.219 30.260 -6.392 1.00 63.11 C ATOM 1040 CG LYS A 63 -10.450 29.200 -5.329 1.00 70.01 C ATOM 1041 CD LYS A 63 -11.045 29.798 -4.066 1.00 15.15 C ATOM 1042 CE LYS A 63 -10.984 28.819 -2.903 1.00 2.31 C ATOM 1043 NZ LYS A 63 -11.603 29.382 -1.671 1.00 32.40 N ATOM 0 H LYS A 63 -11.963 29.137 -7.741 1.00 63.40 H new ATOM 0 HA LYS A 63 -12.014 31.362 -5.961 1.00 2.41 H new ATOM 0 HB2 LYS A 63 -9.750 29.796 -7.260 1.00 63.11 H new ATOM 0 HB3 LYS A 63 -9.518 31.001 -6.008 1.00 63.11 H new ATOM 0 HG2 LYS A 63 -11.118 28.432 -5.719 1.00 70.01 H new ATOM 0 HG3 LYS A 63 -9.506 28.710 -5.091 1.00 70.01 H new ATOM 0 HD2 LYS A 63 -10.506 30.709 -3.805 1.00 15.15 H new ATOM 0 HD3 LYS A 63 -12.081 30.082 -4.250 1.00 15.15 H new ATOM 0 HE2 LYS A 63 -11.496 27.897 -3.178 1.00 2.31 H new ATOM 0 HE3 LYS A 63 -9.945 28.559 -2.701 1.00 2.31 H new ATOM 0 HZ1 LYS A 63 -11.541 28.685 -0.902 1.00 32.40 H new ATOM 0 HZ2 LYS A 63 -11.099 30.249 -1.394 1.00 32.40 H new ATOM 0 HZ3 LYS A 63 -12.602 29.606 -1.856 1.00 32.40 H new ATOM 1057 N ASN A 64 -11.504 32.004 -9.033 1.00 20.24 N ATOM 1058 CA ASN A 64 -11.230 33.047 -10.014 1.00 11.42 C ATOM 1059 C ASN A 64 -12.475 33.891 -10.272 1.00 45.41 C ATOM 1060 O ASN A 64 -12.395 35.115 -10.376 1.00 52.03 O ATOM 1061 CB ASN A 64 -10.739 32.428 -11.324 1.00 51.30 C ATOM 1062 CG ASN A 64 -9.292 31.981 -11.245 1.00 73.35 C ATOM 1063 OD1 ASN A 64 -8.934 31.327 -10.146 1.00 14.44 O flip ATOM 1064 ND2 ASN A 64 -8.506 32.219 -12.163 1.00 51.52 N flip ATOM 0 H ASN A 64 -11.980 31.185 -9.410 1.00 20.24 H new ATOM 0 HA ASN A 64 -10.451 33.694 -9.612 1.00 11.42 H new ATOM 0 HB2 ASN A 64 -11.367 31.574 -11.577 1.00 51.30 H new ATOM 0 HB3 ASN A 64 -10.849 33.154 -12.129 1.00 51.30 H new ATOM 0 HD21 ASN A 64 -8.825 32.725 -12.989 1.00 51.52 H new ATOM 0 HD22 ASN A 64 -7.536 31.910 -12.097 1.00 51.52 H new ATOM 1071 N GLN A 65 -13.622 33.228 -10.373 1.00 41.45 N ATOM 1072 CA GLN A 65 -14.883 33.918 -10.620 1.00 21.15 C ATOM 1073 C GLN A 65 -15.495 34.416 -9.314 1.00 44.23 C ATOM 1074 O GLN A 65 -16.513 35.109 -9.318 1.00 24.43 O ATOM 1075 CB GLN A 65 -15.865 32.989 -11.335 1.00 33.10 C ATOM 1076 CG GLN A 65 -16.440 31.904 -10.438 1.00 65.14 C ATOM 1077 CD GLN A 65 -17.658 32.370 -9.665 1.00 63.45 C ATOM 1078 OE1 GLN A 65 -18.633 32.924 -10.375 1.00 64.44 O flip ATOM 1079 NE2 GLN A 65 -17.722 32.233 -8.443 1.00 52.44 N flip ATOM 0 H GLN A 65 -13.705 32.215 -10.288 1.00 41.45 H new ATOM 0 HA GLN A 65 -14.679 34.779 -11.257 1.00 21.15 H new ATOM 0 HB2 GLN A 65 -16.683 33.583 -11.743 1.00 33.10 H new ATOM 0 HB3 GLN A 65 -15.360 32.521 -12.180 1.00 33.10 H new ATOM 0 HG2 GLN A 65 -16.709 31.040 -11.046 1.00 65.14 H new ATOM 0 HG3 GLN A 65 -15.674 31.574 -9.737 1.00 65.14 H new ATOM 0 HE21 GLN A 65 -16.949 31.801 -7.937 1.00 52.44 H new ATOM 0 HE22 GLN A 65 -18.548 32.551 -7.937 1.00 52.44 H new ATOM 1088 N LYS A 66 -14.867 34.059 -8.199 1.00 14.43 N ATOM 1089 CA LYS A 66 -15.348 34.470 -6.885 1.00 54.40 C ATOM 1090 C LYS A 66 -15.452 35.990 -6.794 1.00 72.55 C ATOM 1091 O LYS A 66 -16.263 36.523 -6.037 1.00 72.11 O ATOM 1092 CB LYS A 66 -14.416 33.946 -5.791 1.00 2.23 C ATOM 1093 CG LYS A 66 -12.957 34.310 -6.009 1.00 33.31 C ATOM 1094 CD LYS A 66 -12.647 35.705 -5.493 1.00 31.33 C ATOM 1095 CE LYS A 66 -11.365 35.724 -4.675 1.00 3.00 C ATOM 1096 NZ LYS A 66 -10.185 36.098 -5.503 1.00 3.13 N ATOM 0 H LYS A 66 -14.024 33.486 -8.179 1.00 14.43 H new ATOM 0 HA LYS A 66 -16.342 34.046 -6.741 1.00 54.40 H new ATOM 0 HB2 LYS A 66 -14.741 34.342 -4.829 1.00 2.23 H new ATOM 0 HB3 LYS A 66 -14.507 32.861 -5.737 1.00 2.23 H new ATOM 0 HG2 LYS A 66 -12.321 33.584 -5.503 1.00 33.31 H new ATOM 0 HG3 LYS A 66 -12.722 34.254 -7.072 1.00 33.31 H new ATOM 0 HD2 LYS A 66 -12.554 36.393 -6.334 1.00 31.33 H new ATOM 0 HD3 LYS A 66 -13.476 36.060 -4.881 1.00 31.33 H new ATOM 0 HE2 LYS A 66 -11.470 36.431 -3.852 1.00 3.00 H new ATOM 0 HE3 LYS A 66 -11.202 34.741 -4.233 1.00 3.00 H new ATOM 0 HZ1 LYS A 66 -9.331 36.100 -4.910 1.00 3.13 H new ATOM 0 HZ2 LYS A 66 -10.070 35.409 -6.274 1.00 3.13 H new ATOM 0 HZ3 LYS A 66 -10.329 37.046 -5.905 1.00 3.13 H new ATOM 1110 N LYS A 67 -14.627 36.682 -7.572 1.00 61.24 N ATOM 1111 CA LYS A 67 -14.627 38.140 -7.583 1.00 31.22 C ATOM 1112 C LYS A 67 -15.988 38.681 -8.008 1.00 74.33 C ATOM 1113 O LYS A 67 -16.240 39.884 -7.934 1.00 30.32 O ATOM 1114 CB LYS A 67 -13.541 38.664 -8.525 1.00 71.21 C ATOM 1115 CG LYS A 67 -12.358 39.286 -7.804 1.00 30.33 C ATOM 1116 CD LYS A 67 -12.578 40.767 -7.546 1.00 42.14 C ATOM 1117 CE LYS A 67 -13.097 41.017 -6.139 1.00 2.33 C ATOM 1118 NZ LYS A 67 -12.565 42.286 -5.569 1.00 10.21 N ATOM 0 H LYS A 67 -13.949 36.256 -8.204 1.00 61.24 H new ATOM 0 HA LYS A 67 -14.418 38.486 -6.571 1.00 31.22 H new ATOM 0 HB2 LYS A 67 -13.185 37.843 -9.148 1.00 71.21 H new ATOM 0 HB3 LYS A 67 -13.979 39.405 -9.194 1.00 71.21 H new ATOM 0 HG2 LYS A 67 -12.196 38.771 -6.857 1.00 30.33 H new ATOM 0 HG3 LYS A 67 -11.455 39.150 -8.399 1.00 30.33 H new ATOM 0 HD2 LYS A 67 -11.641 41.305 -7.690 1.00 42.14 H new ATOM 0 HD3 LYS A 67 -13.288 41.162 -8.272 1.00 42.14 H new ATOM 0 HE2 LYS A 67 -14.186 41.055 -6.155 1.00 2.33 H new ATOM 0 HE3 LYS A 67 -12.816 40.184 -5.495 1.00 2.33 H new ATOM 0 HZ1 LYS A 67 -12.942 42.420 -4.609 1.00 10.21 H new ATOM 0 HZ2 LYS A 67 -11.527 42.241 -5.530 1.00 10.21 H new ATOM 0 HZ3 LYS A 67 -12.854 43.084 -6.169 1.00 10.21 H new TER 1132 LYS A 67