USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1018 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 28 GLN : amide:sc= -2.04! C(o=-2!,f=-4.4!) USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0.266 USER MOD Set 1.3: A 150 HIS : no HD1:sc= -0.212 K(o=-2,f=-9.3!) USER MOD Set 2.1: A 12 THR OG1 : rot -75:sc= 0.914 USER MOD Set 2.2: A 45 THR OG1 : rot 160:sc= 0 USER MOD Set 2.3: A 93 HIS : no HE2:sc= -0.623 K(o=0.29,f=-3.2) USER MOD Set 3.1: A 47 ASN : amide:sc= -0.463 X(o=-1.8,f=-2.2) USER MOD Set 3.2: A 75 GLN : amide:sc= -1.29 X(o=-1.8,f=-2.1) USER MOD Set 4.1: A 14 ASN : amide:sc= -2.44! C(o=-2.2!,f=-9.1!) USER MOD Set 4.2: A 42 SER OG : rot -97:sc= 1.42 USER MOD Set 4.3: A 71 HIS : +bothHN:sc= -1.17 K(o=-2.2,f=-6.7!) USER MOD Set 5.1: A 6 HIS : no HE2:sc= -0.25 X(o=-3.4,f=-3.9) USER MOD Set 5.2: A 8 THR OG1 : rot -130:sc= -0.44 USER MOD Set 5.3: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 5.4: A 80 HIS : no HE2:sc= -2.71! C(o=-3.4!,f=-9.2!) USER MOD Single : A 11 CYS SG : rot -150:sc= -0.278 USER MOD Single : A 16 CYS SG : rot -12:sc= 0.36 USER MOD Single : A 18 SER OG : rot -122:sc= 0.00363 USER MOD Single : A 20 MET CE :methyl 159:sc= -2.79 (180deg=-5.74!) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 1.08 (180deg=1.07) USER MOD Single : A 24 MET CE :methyl -124:sc= -1.73 (180deg=-4.88!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.212 F(o=-1.4,f=-0.21) USER MOD Single : A 31 HIS : no HD1:sc= -0.086 X(o=-0.086,f=0.01) USER MOD Single : A 49 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.27) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0694 USER MOD Single : A 53 CYS SG : rot 48:sc= 0.566 USER MOD Single : A 65 HIS :FLIP no HE2:sc= 0.83 F(o=-2.5!,f=0.83) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.182 F(o=-1.9!,f=-0.18) USER MOD Single : A 99 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.6) USER MOD Single : A 109 MET CE :methyl -137:sc= -1.62 (180deg=-4.89!) USER MOD Single : A 112 SER OG : rot -21:sc= 0.885 USER MOD Single : A 144 SER OG : rot -53:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 50 N PRO A 4 -6.367 20.794 -17.388 1.00 1.00 N ATOM 51 CA PRO A 4 -6.106 21.501 -16.137 1.00 1.00 C ATOM 52 C PRO A 4 -4.885 22.401 -16.183 1.00 1.00 C ATOM 53 O PRO A 4 -3.998 22.251 -17.029 1.00 1.00 O ATOM 54 CB PRO A 4 -5.885 20.385 -15.114 1.00 1.00 C ATOM 55 CG PRO A 4 -5.574 19.165 -15.916 1.00 1.00 C ATOM 56 CD PRO A 4 -6.250 19.338 -17.238 1.00 1.00 C ATOM 0 HA PRO A 4 -6.935 22.169 -15.902 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -5.066 20.629 -14.437 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -6.772 20.235 -14.499 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -4.498 19.049 -16.044 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -5.933 18.268 -15.412 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -5.665 18.899 -18.046 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -7.227 18.855 -17.253 1.00 1.00 H new ATOM 64 N LEU A 5 -4.823 23.285 -15.200 1.00 1.00 N ATOM 65 CA LEU A 5 -3.719 24.222 -15.065 1.00 1.00 C ATOM 66 C LEU A 5 -2.455 23.492 -14.633 1.00 1.00 C ATOM 67 O LEU A 5 -2.453 22.273 -14.485 1.00 1.00 O ATOM 68 CB LEU A 5 -4.048 25.289 -14.032 1.00 1.00 C ATOM 69 CG LEU A 5 -3.553 26.693 -14.387 1.00 1.00 C ATOM 70 CD1 LEU A 5 -4.629 27.469 -15.131 1.00 1.00 C ATOM 71 CD2 LEU A 5 -3.098 27.429 -13.139 1.00 1.00 C ATOM 0 H LEU A 5 -5.535 23.373 -14.475 1.00 1.00 H new ATOM 0 HA LEU A 5 -3.557 24.693 -16.035 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -5.129 25.323 -13.895 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -3.615 24.996 -13.076 1.00 1.00 H new ATOM 0 HG LEU A 5 -2.693 26.602 -15.051 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -4.257 28.464 -15.374 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -4.887 26.943 -16.050 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -5.515 27.556 -14.502 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -2.749 28.425 -13.411 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -3.932 27.514 -12.442 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -2.286 26.877 -12.667 1.00 1.00 H new ATOM 83 N HIS A 6 -1.408 24.243 -14.352 1.00 1.00 N ATOM 84 CA HIS A 6 -0.141 23.647 -13.951 1.00 1.00 C ATOM 85 C HIS A 6 0.662 24.637 -13.128 1.00 1.00 C ATOM 86 O HIS A 6 1.251 25.560 -13.673 1.00 1.00 O ATOM 87 CB HIS A 6 0.665 23.247 -15.191 1.00 1.00 C ATOM 88 CG HIS A 6 1.375 21.929 -15.089 1.00 1.00 C ATOM 89 ND1 HIS A 6 2.002 21.333 -16.163 1.00 1.00 N ATOM 90 CD2 HIS A 6 1.564 21.096 -14.040 1.00 1.00 C ATOM 91 CE1 HIS A 6 2.544 20.192 -15.778 1.00 1.00 C ATOM 92 NE2 HIS A 6 2.295 20.019 -14.492 1.00 1.00 N ATOM 0 H HIS A 6 -1.405 25.262 -14.392 1.00 1.00 H new ATOM 0 HA HIS A 6 -0.346 22.761 -13.351 1.00 1.00 H new ATOM 0 HB2 HIS A 6 -0.008 23.215 -16.048 1.00 1.00 H new ATOM 0 HB3 HIS A 6 1.402 24.025 -15.393 1.00 1.00 H new ATOM 0 HD1 HIS A 6 2.041 21.714 -17.108 1.00 1.00 H new ATOM 0 HD2 HIS A 6 1.207 21.248 -13.032 1.00 1.00 H new ATOM 0 HE1 HIS A 6 3.098 19.513 -16.409 1.00 1.00 H new ATOM 101 N VAL A 7 0.674 24.456 -11.821 1.00 1.00 N ATOM 102 CA VAL A 7 1.463 25.327 -10.966 1.00 1.00 C ATOM 103 C VAL A 7 2.673 24.548 -10.487 1.00 1.00 C ATOM 104 O VAL A 7 2.520 23.539 -9.814 1.00 1.00 O ATOM 105 CB VAL A 7 0.688 25.829 -9.732 1.00 1.00 C ATOM 106 CG1 VAL A 7 1.288 27.120 -9.220 1.00 1.00 C ATOM 107 CG2 VAL A 7 -0.787 26.004 -10.027 1.00 1.00 C ATOM 0 H VAL A 7 0.156 23.726 -11.332 1.00 1.00 H new ATOM 0 HA VAL A 7 1.739 26.203 -11.554 1.00 1.00 H new ATOM 0 HB VAL A 7 0.776 25.069 -8.956 1.00 1.00 H new ATOM 0 HG11 VAL A 7 0.729 27.461 -8.349 1.00 1.00 H new ATOM 0 HG12 VAL A 7 2.328 26.952 -8.941 1.00 1.00 H new ATOM 0 HG13 VAL A 7 1.240 27.879 -10.001 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -1.297 26.359 -9.132 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -0.914 26.731 -10.829 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -1.213 25.048 -10.333 1.00 1.00 H new ATOM 117 N THR A 8 3.854 24.928 -10.922 1.00 1.00 N ATOM 118 CA THR A 8 5.053 24.225 -10.512 1.00 1.00 C ATOM 119 C THR A 8 5.948 25.139 -9.665 1.00 1.00 C ATOM 120 O THR A 8 6.391 26.188 -10.120 1.00 1.00 O ATOM 121 CB THR A 8 5.818 23.654 -11.742 1.00 1.00 C ATOM 122 OG1 THR A 8 6.817 22.719 -11.314 1.00 1.00 O ATOM 123 CG2 THR A 8 6.473 24.743 -12.577 1.00 1.00 C ATOM 0 H THR A 8 4.011 25.713 -11.554 1.00 1.00 H new ATOM 0 HA THR A 8 4.759 23.377 -9.893 1.00 1.00 H new ATOM 0 HB THR A 8 5.079 23.154 -12.368 1.00 1.00 H new ATOM 0 HG1 THR A 8 7.674 22.941 -11.734 1.00 1.00 H new ATOM 0 HG21 THR A 8 6.993 24.291 -13.422 1.00 1.00 H new ATOM 0 HG22 THR A 8 5.709 25.428 -12.945 1.00 1.00 H new ATOM 0 HG23 THR A 8 7.187 25.292 -11.963 1.00 1.00 H new ATOM 131 N PHE A 9 6.116 24.801 -8.392 1.00 1.00 N ATOM 132 CA PHE A 9 6.947 25.623 -7.507 1.00 1.00 C ATOM 133 C PHE A 9 8.403 25.247 -7.658 1.00 1.00 C ATOM 134 O PHE A 9 8.754 24.072 -7.582 1.00 1.00 O ATOM 135 CB PHE A 9 6.565 25.459 -6.045 1.00 1.00 C ATOM 136 CG PHE A 9 5.143 25.103 -5.839 1.00 1.00 C ATOM 137 CD1 PHE A 9 4.138 26.027 -6.041 1.00 1.00 C ATOM 138 CD2 PHE A 9 4.814 23.827 -5.452 1.00 1.00 C ATOM 139 CE1 PHE A 9 2.826 25.677 -5.854 1.00 1.00 C ATOM 140 CE2 PHE A 9 3.510 23.470 -5.265 1.00 1.00 C ATOM 141 CZ PHE A 9 2.511 24.394 -5.465 1.00 1.00 C ATOM 0 H PHE A 9 5.699 23.981 -7.952 1.00 1.00 H new ATOM 0 HA PHE A 9 6.783 26.660 -7.799 1.00 1.00 H new ATOM 0 HB2 PHE A 9 7.192 24.687 -5.599 1.00 1.00 H new ATOM 0 HB3 PHE A 9 6.778 26.388 -5.516 1.00 1.00 H new ATOM 0 HD1 PHE A 9 4.387 27.032 -6.348 1.00 1.00 H new ATOM 0 HD2 PHE A 9 5.595 23.098 -5.294 1.00 1.00 H new ATOM 0 HE1 PHE A 9 2.043 26.404 -6.011 1.00 1.00 H new ATOM 0 HE2 PHE A 9 3.263 22.464 -4.961 1.00 1.00 H new ATOM 0 HZ PHE A 9 1.479 24.113 -5.317 1.00 1.00 H new ATOM 151 N VAL A 10 9.256 26.243 -7.758 1.00 1.00 N ATOM 152 CA VAL A 10 10.670 26.013 -7.959 1.00 1.00 C ATOM 153 C VAL A 10 11.494 26.593 -6.823 1.00 1.00 C ATOM 154 O VAL A 10 11.539 27.813 -6.621 1.00 1.00 O ATOM 155 CB VAL A 10 11.136 26.637 -9.277 1.00 1.00 C ATOM 156 CG1 VAL A 10 12.598 26.349 -9.530 1.00 1.00 C ATOM 157 CG2 VAL A 10 10.299 26.132 -10.426 1.00 1.00 C ATOM 0 H VAL A 10 8.992 27.227 -7.703 1.00 1.00 H new ATOM 0 HA VAL A 10 10.818 24.934 -7.989 1.00 1.00 H new ATOM 0 HB VAL A 10 11.011 27.717 -9.198 1.00 1.00 H new ATOM 0 HG11 VAL A 10 12.901 26.804 -10.473 1.00 1.00 H new ATOM 0 HG12 VAL A 10 13.196 26.763 -8.718 1.00 1.00 H new ATOM 0 HG13 VAL A 10 12.753 25.271 -9.581 1.00 1.00 H new ATOM 0 HG21 VAL A 10 10.644 26.586 -11.355 1.00 1.00 H new ATOM 0 HG22 VAL A 10 10.392 25.048 -10.495 1.00 1.00 H new ATOM 0 HG23 VAL A 10 9.255 26.396 -10.259 1.00 1.00 H new ATOM 167 N CYS A 11 12.157 25.715 -6.096 1.00 1.00 N ATOM 168 CA CYS A 11 13.009 26.126 -5.001 1.00 1.00 C ATOM 169 C CYS A 11 14.269 25.267 -4.993 1.00 1.00 C ATOM 170 O CYS A 11 14.308 24.212 -5.629 1.00 1.00 O ATOM 171 CB CYS A 11 12.255 26.015 -3.671 1.00 1.00 C ATOM 172 SG CYS A 11 13.125 26.712 -2.248 1.00 1.00 S ATOM 0 H CYS A 11 12.120 24.707 -6.246 1.00 1.00 H new ATOM 0 HA CYS A 11 13.297 27.169 -5.133 1.00 1.00 H new ATOM 0 HB2 CYS A 11 11.292 26.516 -3.772 1.00 1.00 H new ATOM 0 HB3 CYS A 11 12.048 24.963 -3.473 1.00 1.00 H new ATOM 0 HG CYS A 11 12.786 26.065 -1.173 1.00 1.00 H new ATOM 178 N THR A 12 15.298 25.713 -4.294 1.00 1.00 N ATOM 179 CA THR A 12 16.555 24.993 -4.266 1.00 1.00 C ATOM 180 C THR A 12 16.476 23.780 -3.346 1.00 1.00 C ATOM 181 O THR A 12 16.753 23.868 -2.154 1.00 1.00 O ATOM 182 CB THR A 12 17.705 25.918 -3.836 1.00 1.00 C ATOM 183 OG1 THR A 12 17.193 27.240 -3.610 1.00 1.00 O ATOM 184 CG2 THR A 12 18.778 25.967 -4.911 1.00 1.00 C ATOM 0 H THR A 12 15.286 26.569 -3.740 1.00 1.00 H new ATOM 0 HA THR A 12 16.755 24.638 -5.277 1.00 1.00 H new ATOM 0 HB THR A 12 18.146 25.529 -2.918 1.00 1.00 H new ATOM 0 HG1 THR A 12 17.008 27.671 -4.471 1.00 1.00 H new ATOM 0 HG21 THR A 12 19.585 26.626 -4.590 1.00 1.00 H new ATOM 0 HG22 THR A 12 19.173 24.965 -5.077 1.00 1.00 H new ATOM 0 HG23 THR A 12 18.347 26.345 -5.838 1.00 1.00 H new ATOM 192 N GLY A 13 15.982 22.679 -3.896 1.00 1.00 N ATOM 193 CA GLY A 13 15.872 21.455 -3.139 1.00 1.00 C ATOM 194 C GLY A 13 14.605 20.699 -3.468 1.00 1.00 C ATOM 195 O GLY A 13 14.614 19.473 -3.565 1.00 1.00 O ATOM 0 H GLY A 13 15.654 22.615 -4.860 1.00 1.00 H new ATOM 0 HA2 GLY A 13 16.736 20.822 -3.345 1.00 1.00 H new ATOM 0 HA3 GLY A 13 15.891 21.684 -2.074 1.00 1.00 H new ATOM 199 N ASN A 14 13.518 21.451 -3.652 1.00 1.00 N ATOM 200 CA ASN A 14 12.195 20.887 -3.967 1.00 1.00 C ATOM 201 C ASN A 14 11.684 19.993 -2.830 1.00 1.00 C ATOM 202 O ASN A 14 10.715 19.241 -2.978 1.00 1.00 O ATOM 203 CB ASN A 14 12.227 20.088 -5.274 1.00 1.00 C ATOM 204 CG ASN A 14 10.833 19.695 -5.733 1.00 1.00 C ATOM 205 OD1 ASN A 14 10.627 18.625 -6.286 1.00 1.00 O ATOM 206 ND2 ASN A 14 9.865 20.566 -5.514 1.00 1.00 N ATOM 0 H ASN A 14 13.526 22.469 -3.588 1.00 1.00 H new ATOM 0 HA ASN A 14 11.511 21.728 -4.086 1.00 1.00 H new ATOM 0 HB2 ASN A 14 12.711 20.681 -6.050 1.00 1.00 H new ATOM 0 HB3 ASN A 14 12.830 19.191 -5.136 1.00 1.00 H new ATOM 0 HD21 ASN A 14 8.912 20.354 -5.809 1.00 1.00 H new ATOM 0 HD22 ASN A 14 10.070 21.451 -5.050 1.00 1.00 H new ATOM 213 N ILE A 15 12.286 20.126 -1.672 1.00 1.00 N ATOM 214 CA ILE A 15 11.914 19.319 -0.526 1.00 1.00 C ATOM 215 C ILE A 15 11.719 20.187 0.692 1.00 1.00 C ATOM 216 O ILE A 15 12.081 19.787 1.776 1.00 1.00 O ATOM 217 CB ILE A 15 12.982 18.253 -0.197 1.00 1.00 C ATOM 218 CG1 ILE A 15 14.361 18.903 -0.045 1.00 1.00 C ATOM 219 CG2 ILE A 15 13.008 17.173 -1.265 1.00 1.00 C ATOM 220 CD1 ILE A 15 15.151 18.371 1.126 1.00 1.00 C ATOM 0 H ILE A 15 13.041 20.789 -1.494 1.00 1.00 H new ATOM 0 HA ILE A 15 10.983 18.817 -0.788 1.00 1.00 H new ATOM 0 HB ILE A 15 12.720 17.784 0.752 1.00 1.00 H new ATOM 0 HG12 ILE A 15 14.932 18.745 -0.960 1.00 1.00 H new ATOM 0 HG13 ILE A 15 14.236 19.980 0.070 1.00 1.00 H new ATOM 0 HG21 ILE A 15 13.767 16.432 -1.015 1.00 1.00 H new ATOM 0 HG22 ILE A 15 12.032 16.690 -1.318 1.00 1.00 H new ATOM 0 HG23 ILE A 15 13.243 17.621 -2.230 1.00 1.00 H new ATOM 0 HD11 ILE A 15 16.116 18.875 1.173 1.00 1.00 H new ATOM 0 HD12 ILE A 15 14.601 18.553 2.049 1.00 1.00 H new ATOM 0 HD13 ILE A 15 15.307 17.299 1.003 1.00 1.00 H new ATOM 232 N CYS A 16 11.246 21.408 0.488 1.00 1.00 N ATOM 233 CA CYS A 16 10.926 22.294 1.601 1.00 1.00 C ATOM 234 C CYS A 16 9.752 23.202 1.224 1.00 1.00 C ATOM 235 O CYS A 16 8.603 22.788 1.291 1.00 1.00 O ATOM 236 CB CYS A 16 12.134 23.150 2.005 1.00 1.00 C ATOM 237 SG CYS A 16 13.660 22.224 2.304 1.00 1.00 S ATOM 0 H CYS A 16 11.075 21.808 -0.435 1.00 1.00 H new ATOM 0 HA CYS A 16 10.652 21.673 2.454 1.00 1.00 H new ATOM 0 HB2 CYS A 16 12.319 23.884 1.220 1.00 1.00 H new ATOM 0 HB3 CYS A 16 11.881 23.706 2.908 1.00 1.00 H new ATOM 0 HG CYS A 16 13.393 20.953 2.359 1.00 1.00 H new ATOM 243 N ARG A 17 10.062 24.349 0.618 1.00 1.00 N ATOM 244 CA ARG A 17 9.040 25.336 0.249 1.00 1.00 C ATOM 245 C ARG A 17 8.036 24.780 -0.769 1.00 1.00 C ATOM 246 O ARG A 17 6.818 24.865 -0.569 1.00 1.00 O ATOM 247 CB ARG A 17 9.700 26.594 -0.329 1.00 1.00 C ATOM 248 CG ARG A 17 9.943 27.704 0.686 1.00 1.00 C ATOM 249 CD ARG A 17 11.126 27.419 1.605 1.00 1.00 C ATOM 250 NE ARG A 17 12.287 28.261 1.294 1.00 1.00 N ATOM 251 CZ ARG A 17 12.355 29.580 1.541 1.00 1.00 C ATOM 252 NH1 ARG A 17 11.320 30.236 2.055 1.00 1.00 N ATOM 253 NH2 ARG A 17 13.469 30.241 1.279 1.00 1.00 N ATOM 0 H ARG A 17 11.014 24.620 0.371 1.00 1.00 H new ATOM 0 HA ARG A 17 8.495 25.584 1.160 1.00 1.00 H new ATOM 0 HB2 ARG A 17 10.653 26.315 -0.778 1.00 1.00 H new ATOM 0 HB3 ARG A 17 9.072 26.983 -1.130 1.00 1.00 H new ATOM 0 HG2 ARG A 17 10.118 28.641 0.157 1.00 1.00 H new ATOM 0 HG3 ARG A 17 9.045 27.841 1.289 1.00 1.00 H new ATOM 0 HD2 ARG A 17 10.827 27.584 2.640 1.00 1.00 H new ATOM 0 HD3 ARG A 17 11.407 26.369 1.517 1.00 1.00 H new ATOM 0 HE ARG A 17 13.096 27.815 0.862 1.00 1.00 H new ATOM 0 HH11 ARG A 17 10.456 29.738 2.269 1.00 1.00 H new ATOM 0 HH12 ARG A 17 11.390 31.237 2.236 1.00 1.00 H new ATOM 0 HH21 ARG A 17 14.274 29.750 0.890 1.00 1.00 H new ATOM 0 HH22 ARG A 17 13.524 31.242 1.465 1.00 1.00 H new ATOM 267 N SER A 18 8.558 24.215 -1.853 1.00 1.00 N ATOM 268 CA SER A 18 7.729 23.697 -2.938 1.00 1.00 C ATOM 269 C SER A 18 6.675 22.691 -2.441 1.00 1.00 C ATOM 270 O SER A 18 5.479 22.942 -2.580 1.00 1.00 O ATOM 271 CB SER A 18 8.612 23.062 -4.017 1.00 1.00 C ATOM 272 OG SER A 18 9.660 23.937 -4.408 1.00 1.00 O ATOM 0 H SER A 18 9.560 24.103 -2.005 1.00 1.00 H new ATOM 0 HA SER A 18 7.186 24.540 -3.365 1.00 1.00 H new ATOM 0 HB2 SER A 18 9.035 22.130 -3.642 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.004 22.809 -4.885 1.00 1.00 H new ATOM 0 HG SER A 18 9.607 24.100 -5.373 1.00 1.00 H new ATOM 278 N PRO A 19 7.080 21.571 -1.798 1.00 1.00 N ATOM 279 CA PRO A 19 6.127 20.562 -1.324 1.00 1.00 C ATOM 280 C PRO A 19 5.158 21.110 -0.296 1.00 1.00 C ATOM 281 O PRO A 19 4.029 20.647 -0.218 1.00 1.00 O ATOM 282 CB PRO A 19 7.009 19.478 -0.708 1.00 1.00 C ATOM 283 CG PRO A 19 8.289 20.163 -0.388 1.00 1.00 C ATOM 284 CD PRO A 19 8.465 21.217 -1.438 1.00 1.00 C ATOM 0 HA PRO A 19 5.498 20.198 -2.136 1.00 1.00 H new ATOM 0 HB2 PRO A 19 6.551 19.058 0.187 1.00 1.00 H new ATOM 0 HB3 PRO A 19 7.165 18.653 -1.403 1.00 1.00 H new ATOM 0 HG2 PRO A 19 8.257 20.605 0.608 1.00 1.00 H new ATOM 0 HG3 PRO A 19 9.121 19.459 -0.398 1.00 1.00 H new ATOM 0 HD2 PRO A 19 9.014 22.078 -1.056 1.00 1.00 H new ATOM 0 HD3 PRO A 19 9.020 20.840 -2.297 1.00 1.00 H new ATOM 292 N MET A 20 5.564 22.141 0.432 1.00 1.00 N ATOM 293 CA MET A 20 4.689 22.737 1.432 1.00 1.00 C ATOM 294 C MET A 20 3.421 23.269 0.782 1.00 1.00 C ATOM 295 O MET A 20 2.324 22.810 1.090 1.00 1.00 O ATOM 296 CB MET A 20 5.388 23.872 2.174 1.00 1.00 C ATOM 297 CG MET A 20 6.497 23.418 3.099 1.00 1.00 C ATOM 298 SD MET A 20 7.062 24.728 4.196 1.00 1.00 S ATOM 299 CE MET A 20 5.580 24.999 5.158 1.00 1.00 C ATOM 0 H MET A 20 6.482 22.578 0.351 1.00 1.00 H new ATOM 0 HA MET A 20 4.432 21.956 2.148 1.00 1.00 H new ATOM 0 HB2 MET A 20 5.801 24.568 1.444 1.00 1.00 H new ATOM 0 HB3 MET A 20 4.647 24.422 2.755 1.00 1.00 H new ATOM 0 HG2 MET A 20 6.146 22.576 3.695 1.00 1.00 H new ATOM 0 HG3 MET A 20 7.337 23.059 2.504 1.00 1.00 H new ATOM 0 HE1 MET A 20 5.840 25.485 6.098 1.00 1.00 H new ATOM 0 HE2 MET A 20 4.894 25.635 4.598 1.00 1.00 H new ATOM 0 HE3 MET A 20 5.100 24.042 5.365 1.00 1.00 H new ATOM 309 N ALA A 21 3.585 24.125 -0.216 1.00 1.00 N ATOM 310 CA ALA A 21 2.429 24.723 -0.880 1.00 1.00 C ATOM 311 C ALA A 21 1.753 23.718 -1.790 1.00 1.00 C ATOM 312 O ALA A 21 0.539 23.772 -1.987 1.00 1.00 O ATOM 313 CB ALA A 21 2.820 25.960 -1.660 1.00 1.00 C ATOM 0 H ALA A 21 4.491 24.420 -0.582 1.00 1.00 H new ATOM 0 HA ALA A 21 1.723 25.022 -0.106 1.00 1.00 H new ATOM 0 HB1 ALA A 21 1.937 26.380 -2.142 1.00 1.00 H new ATOM 0 HB2 ALA A 21 3.249 26.697 -0.982 1.00 1.00 H new ATOM 0 HB3 ALA A 21 3.556 25.694 -2.419 1.00 1.00 H new ATOM 319 N GLU A 22 2.543 22.770 -2.276 1.00 1.00 N ATOM 320 CA GLU A 22 2.058 21.723 -3.161 1.00 1.00 C ATOM 321 C GLU A 22 0.849 21.033 -2.542 1.00 1.00 C ATOM 322 O GLU A 22 -0.257 21.150 -3.036 1.00 1.00 O ATOM 323 CB GLU A 22 3.181 20.705 -3.405 1.00 1.00 C ATOM 324 CG GLU A 22 3.032 19.874 -4.672 1.00 1.00 C ATOM 325 CD GLU A 22 4.029 18.729 -4.730 1.00 1.00 C ATOM 326 OE1 GLU A 22 3.837 17.723 -4.011 1.00 1.00 O ATOM 327 OE2 GLU A 22 5.014 18.831 -5.479 1.00 1.00 O ATOM 0 H GLU A 22 3.539 22.706 -2.067 1.00 1.00 H new ATOM 0 HA GLU A 22 1.757 22.163 -4.112 1.00 1.00 H new ATOM 0 HB2 GLU A 22 4.131 21.238 -3.448 1.00 1.00 H new ATOM 0 HB3 GLU A 22 3.232 20.031 -2.550 1.00 1.00 H new ATOM 0 HG2 GLU A 22 2.019 19.474 -4.725 1.00 1.00 H new ATOM 0 HG3 GLU A 22 3.167 20.515 -5.543 1.00 1.00 H new ATOM 334 N LYS A 23 1.024 20.574 -1.317 1.00 1.00 N ATOM 335 CA LYS A 23 -0.037 19.831 -0.662 1.00 1.00 C ATOM 336 C LYS A 23 -0.995 20.772 0.040 1.00 1.00 C ATOM 337 O LYS A 23 -2.156 20.442 0.229 1.00 1.00 O ATOM 338 CB LYS A 23 0.520 18.793 0.314 1.00 1.00 C ATOM 339 CG LYS A 23 2.010 18.891 0.532 1.00 1.00 C ATOM 340 CD LYS A 23 2.695 17.556 0.368 1.00 1.00 C ATOM 341 CE LYS A 23 3.262 17.402 -1.023 1.00 1.00 C ATOM 342 NZ LYS A 23 2.202 17.268 -2.055 1.00 1.00 N ATOM 0 H LYS A 23 1.872 20.698 -0.764 1.00 1.00 H new ATOM 0 HA LYS A 23 -0.586 19.292 -1.434 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.015 18.904 1.274 1.00 1.00 H new ATOM 0 HB3 LYS A 23 0.283 17.796 -0.058 1.00 1.00 H new ATOM 0 HG2 LYS A 23 2.433 19.605 -0.175 1.00 1.00 H new ATOM 0 HG3 LYS A 23 2.205 19.278 1.532 1.00 1.00 H new ATOM 0 HD2 LYS A 23 3.495 17.462 1.102 1.00 1.00 H new ATOM 0 HD3 LYS A 23 1.985 16.753 0.565 1.00 1.00 H new ATOM 0 HE2 LYS A 23 3.885 18.265 -1.256 1.00 1.00 H new ATOM 0 HE3 LYS A 23 3.908 16.525 -1.054 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 2.638 17.233 -2.998 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 1.665 16.393 -1.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 1.560 18.084 -2.001 1.00 1.00 H new ATOM 356 N MET A 24 -0.524 21.972 0.352 1.00 1.00 N ATOM 357 CA MET A 24 -1.346 22.953 1.041 1.00 1.00 C ATOM 358 C MET A 24 -2.545 23.383 0.211 1.00 1.00 C ATOM 359 O MET A 24 -3.655 22.881 0.398 1.00 1.00 O ATOM 360 CB MET A 24 -0.513 24.172 1.425 1.00 1.00 C ATOM 361 CG MET A 24 0.217 24.002 2.745 1.00 1.00 C ATOM 362 SD MET A 24 -0.522 24.947 4.089 1.00 1.00 S ATOM 363 CE MET A 24 0.083 26.590 3.717 1.00 1.00 C ATOM 0 H MET A 24 0.422 22.288 0.138 1.00 1.00 H new ATOM 0 HA MET A 24 -1.726 22.475 1.944 1.00 1.00 H new ATOM 0 HB2 MET A 24 0.214 24.371 0.637 1.00 1.00 H new ATOM 0 HB3 MET A 24 -1.163 25.045 1.486 1.00 1.00 H new ATOM 0 HG2 MET A 24 0.227 22.946 3.014 1.00 1.00 H new ATOM 0 HG3 MET A 24 1.255 24.309 2.621 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.617 26.985 4.581 1.00 1.00 H new ATOM 0 HE2 MET A 24 0.758 26.544 2.862 1.00 1.00 H new ATOM 0 HE3 MET A 24 -0.758 27.242 3.481 1.00 1.00 H new ATOM 373 N PHE A 25 -2.316 24.232 -0.778 1.00 1.00 N ATOM 374 CA PHE A 25 -3.428 24.760 -1.543 1.00 1.00 C ATOM 375 C PHE A 25 -3.967 23.739 -2.525 1.00 1.00 C ATOM 376 O PHE A 25 -5.156 23.763 -2.837 1.00 1.00 O ATOM 377 CB PHE A 25 -3.061 26.067 -2.249 1.00 1.00 C ATOM 378 CG PHE A 25 -2.208 25.923 -3.469 1.00 1.00 C ATOM 379 CD1 PHE A 25 -2.779 25.705 -4.712 1.00 1.00 C ATOM 380 CD2 PHE A 25 -0.839 26.030 -3.372 1.00 1.00 C ATOM 381 CE1 PHE A 25 -1.989 25.595 -5.836 1.00 1.00 C ATOM 382 CE2 PHE A 25 -0.051 25.931 -4.487 1.00 1.00 C ATOM 383 CZ PHE A 25 -0.622 25.709 -5.720 1.00 1.00 C ATOM 0 H PHE A 25 -1.394 24.562 -1.063 1.00 1.00 H new ATOM 0 HA PHE A 25 -4.224 24.984 -0.833 1.00 1.00 H new ATOM 0 HB2 PHE A 25 -3.982 26.579 -2.529 1.00 1.00 H new ATOM 0 HB3 PHE A 25 -2.542 26.710 -1.538 1.00 1.00 H new ATOM 0 HD1 PHE A 25 -3.852 25.621 -4.801 1.00 1.00 H new ATOM 0 HD2 PHE A 25 -0.382 26.194 -2.407 1.00 1.00 H new ATOM 0 HE1 PHE A 25 -2.440 25.420 -6.802 1.00 1.00 H new ATOM 0 HE2 PHE A 25 1.021 26.027 -4.399 1.00 1.00 H new ATOM 0 HZ PHE A 25 0.003 25.624 -6.597 1.00 1.00 H new ATOM 393 N ALA A 26 -3.120 22.839 -3.019 1.00 1.00 N ATOM 394 CA ALA A 26 -3.613 21.830 -3.954 1.00 1.00 C ATOM 395 C ALA A 26 -4.639 20.929 -3.282 1.00 1.00 C ATOM 396 O ALA A 26 -5.623 20.523 -3.907 1.00 1.00 O ATOM 397 CB ALA A 26 -2.491 21.020 -4.555 1.00 1.00 C ATOM 0 H ALA A 26 -2.125 22.786 -2.799 1.00 1.00 H new ATOM 0 HA ALA A 26 -4.101 22.356 -4.774 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -2.903 20.282 -5.244 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.813 21.681 -5.095 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.945 20.510 -3.761 1.00 1.00 H new ATOM 403 N GLN A 27 -4.419 20.626 -1.998 1.00 1.00 N ATOM 404 CA GLN A 27 -5.378 19.820 -1.256 1.00 1.00 C ATOM 405 C GLN A 27 -6.684 20.603 -1.127 1.00 1.00 C ATOM 406 O GLN A 27 -7.772 20.040 -1.260 1.00 1.00 O ATOM 407 CB GLN A 27 -4.835 19.389 0.118 1.00 1.00 C ATOM 408 CG GLN A 27 -5.236 20.293 1.274 1.00 1.00 C ATOM 409 CD GLN A 27 -5.971 19.550 2.373 1.00 1.00 C ATOM 410 OE1 GLN A 27 -5.605 18.297 2.590 1.00 1.00 O flip ATOM 411 NE2 GLN A 27 -6.849 20.102 3.030 1.00 1.00 N flip ATOM 0 H GLN A 27 -3.601 20.922 -1.465 1.00 1.00 H new ATOM 0 HA GLN A 27 -5.562 18.897 -1.805 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -5.182 18.377 0.329 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -3.747 19.349 0.067 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -4.343 20.759 1.691 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -5.870 21.096 0.898 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -7.102 21.070 2.831 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -7.325 19.593 3.774 1.00 1.00 H new ATOM 420 N GLN A 28 -6.566 21.916 -0.899 1.00 1.00 N ATOM 421 CA GLN A 28 -7.733 22.793 -0.815 1.00 1.00 C ATOM 422 C GLN A 28 -8.512 22.767 -2.124 1.00 1.00 C ATOM 423 O GLN A 28 -9.743 22.816 -2.133 1.00 1.00 O ATOM 424 CB GLN A 28 -7.300 24.221 -0.509 1.00 1.00 C ATOM 425 CG GLN A 28 -6.318 24.319 0.638 1.00 1.00 C ATOM 426 CD GLN A 28 -5.756 25.713 0.797 1.00 1.00 C ATOM 427 OE1 GLN A 28 -5.701 26.480 -0.163 1.00 1.00 O ATOM 428 NE2 GLN A 28 -5.292 26.031 1.987 1.00 1.00 N ATOM 0 H GLN A 28 -5.673 22.392 -0.770 1.00 1.00 H new ATOM 0 HA GLN A 28 -8.375 22.433 -0.011 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -6.849 24.655 -1.401 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -8.182 24.818 -0.275 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -6.813 24.022 1.563 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -5.500 23.617 0.474 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -5.359 25.364 2.755 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -4.866 26.945 2.141 1.00 1.00 H new ATOM 437 N LEU A 29 -7.777 22.704 -3.233 1.00 1.00 N ATOM 438 CA LEU A 29 -8.381 22.661 -4.560 1.00 1.00 C ATOM 439 C LEU A 29 -9.333 21.482 -4.675 1.00 1.00 C ATOM 440 O LEU A 29 -10.521 21.663 -4.903 1.00 1.00 O ATOM 441 CB LEU A 29 -7.303 22.584 -5.647 1.00 1.00 C ATOM 442 CG LEU A 29 -6.384 23.800 -5.725 1.00 1.00 C ATOM 443 CD1 LEU A 29 -5.274 23.565 -6.734 1.00 1.00 C ATOM 444 CD2 LEU A 29 -7.173 25.045 -6.088 1.00 1.00 C ATOM 0 H LEU A 29 -6.757 22.682 -3.236 1.00 1.00 H new ATOM 0 HA LEU A 29 -8.948 23.581 -4.704 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -6.694 21.697 -5.473 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.790 22.452 -6.613 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.934 23.951 -4.744 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -4.629 24.442 -6.776 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -4.687 22.697 -6.434 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -5.708 23.387 -7.718 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -6.500 25.901 -6.138 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -7.652 24.903 -7.057 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -7.935 25.227 -5.330 1.00 1.00 H new ATOM 456 N ARG A 30 -8.811 20.276 -4.548 1.00 1.00 N ATOM 457 CA ARG A 30 -9.667 19.093 -4.627 1.00 1.00 C ATOM 458 C ARG A 30 -10.755 19.114 -3.552 1.00 1.00 C ATOM 459 O ARG A 30 -11.847 18.585 -3.759 1.00 1.00 O ATOM 460 CB ARG A 30 -8.857 17.806 -4.568 1.00 1.00 C ATOM 461 CG ARG A 30 -7.863 17.743 -3.430 1.00 1.00 C ATOM 462 CD ARG A 30 -6.461 17.501 -3.961 1.00 1.00 C ATOM 463 NE ARG A 30 -6.464 16.592 -5.114 1.00 1.00 N ATOM 464 CZ ARG A 30 -5.365 16.136 -5.716 1.00 1.00 C ATOM 465 NH1 ARG A 30 -4.170 16.391 -5.204 1.00 1.00 N ATOM 466 NH2 ARG A 30 -5.472 15.399 -6.817 1.00 1.00 N ATOM 0 H ARG A 30 -7.821 20.085 -4.393 1.00 1.00 H new ATOM 0 HA ARG A 30 -10.163 19.121 -5.597 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -9.543 16.963 -4.482 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -8.321 17.685 -5.509 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -7.888 18.675 -2.865 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -8.140 16.945 -2.741 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -6.012 18.452 -4.249 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.840 17.082 -3.169 1.00 1.00 H new ATOM 0 HE ARG A 30 -7.367 16.289 -5.479 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -4.089 16.938 -4.347 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -3.331 16.041 -5.667 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -6.393 15.184 -7.199 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -4.633 15.049 -7.280 1.00 1.00 H new ATOM 480 N HIS A 31 -10.446 19.719 -2.408 1.00 1.00 N ATOM 481 CA HIS A 31 -11.423 19.882 -1.333 1.00 1.00 C ATOM 482 C HIS A 31 -12.634 20.694 -1.803 1.00 1.00 C ATOM 483 O HIS A 31 -13.762 20.451 -1.377 1.00 1.00 O ATOM 484 CB HIS A 31 -10.797 20.566 -0.110 1.00 1.00 C ATOM 485 CG HIS A 31 -10.409 19.621 0.986 1.00 1.00 C ATOM 486 ND1 HIS A 31 -11.136 19.476 2.150 1.00 1.00 N ATOM 487 CD2 HIS A 31 -9.350 18.784 1.103 1.00 1.00 C ATOM 488 CE1 HIS A 31 -10.539 18.596 2.932 1.00 1.00 C ATOM 489 NE2 HIS A 31 -9.453 18.160 2.323 1.00 1.00 N ATOM 0 H HIS A 31 -9.525 20.105 -2.201 1.00 1.00 H new ATOM 0 HA HIS A 31 -11.753 18.883 -1.049 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -9.913 21.119 -0.429 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -11.503 21.295 0.286 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -8.569 18.635 0.372 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -10.882 18.285 3.908 1.00 1.00 H new ATOM 0 HE2 HIS A 31 -8.798 17.473 2.696 1.00 1.00 H new ATOM 498 N ARG A 32 -12.386 21.650 -2.696 1.00 1.00 N ATOM 499 CA ARG A 32 -13.471 22.483 -3.196 1.00 1.00 C ATOM 500 C ARG A 32 -13.988 21.922 -4.509 1.00 1.00 C ATOM 501 O ARG A 32 -15.086 22.244 -4.953 1.00 1.00 O ATOM 502 CB ARG A 32 -13.041 23.942 -3.335 1.00 1.00 C ATOM 503 CG ARG A 32 -11.848 24.177 -4.236 1.00 1.00 C ATOM 504 CD ARG A 32 -11.283 25.570 -4.033 1.00 1.00 C ATOM 505 NE ARG A 32 -12.279 26.617 -4.273 1.00 1.00 N ATOM 506 CZ ARG A 32 -12.576 27.588 -3.405 1.00 1.00 C ATOM 507 NH1 ARG A 32 -11.994 27.625 -2.209 1.00 1.00 N ATOM 508 NH2 ARG A 32 -13.464 28.519 -3.726 1.00 1.00 N ATOM 0 H ARG A 32 -11.465 21.862 -3.079 1.00 1.00 H new ATOM 0 HA ARG A 32 -14.284 22.467 -2.470 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -13.884 24.518 -3.717 1.00 1.00 H new ATOM 0 HB3 ARG A 32 -12.811 24.333 -2.344 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -11.078 23.434 -4.028 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -12.143 24.048 -5.277 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -10.903 25.660 -3.015 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -10.436 25.717 -4.704 1.00 1.00 H new ATOM 0 HE ARG A 32 -12.779 26.604 -5.162 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -11.316 26.909 -1.949 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -12.226 28.370 -1.552 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -13.922 28.495 -4.637 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -13.689 29.260 -3.062 1.00 1.00 H new ATOM 522 N GLY A 33 -13.150 21.123 -5.143 1.00 1.00 N ATOM 523 CA GLY A 33 -13.523 20.472 -6.377 1.00 1.00 C ATOM 524 C GLY A 33 -12.788 21.034 -7.571 1.00 1.00 C ATOM 525 O GLY A 33 -13.344 21.113 -8.664 1.00 1.00 O ATOM 0 H GLY A 33 -12.206 20.911 -4.820 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -13.318 19.404 -6.297 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -14.597 20.580 -6.531 1.00 1.00 H new ATOM 529 N LEU A 34 -11.523 21.404 -7.389 1.00 1.00 N ATOM 530 CA LEU A 34 -10.730 21.977 -8.468 1.00 1.00 C ATOM 531 C LEU A 34 -9.399 21.241 -8.591 1.00 1.00 C ATOM 532 O LEU A 34 -8.535 21.627 -9.375 1.00 1.00 O ATOM 533 CB LEU A 34 -10.469 23.455 -8.170 1.00 1.00 C ATOM 534 CG LEU A 34 -11.711 24.277 -7.840 1.00 1.00 C ATOM 535 CD1 LEU A 34 -11.320 25.668 -7.387 1.00 1.00 C ATOM 536 CD2 LEU A 34 -12.650 24.341 -9.031 1.00 1.00 C ATOM 0 H LEU A 34 -11.026 21.316 -6.502 1.00 1.00 H new ATOM 0 HA LEU A 34 -11.277 21.878 -9.406 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -9.774 23.524 -7.333 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -9.975 23.902 -9.033 1.00 1.00 H new ATOM 0 HG LEU A 34 -12.239 23.786 -7.023 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -12.218 26.241 -7.156 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -10.694 25.598 -6.497 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -10.766 26.167 -8.182 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -13.528 24.932 -8.771 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -12.137 24.804 -9.874 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -12.960 23.332 -9.305 1.00 1.00 H new ATOM 548 N GLY A 35 -9.234 20.188 -7.791 1.00 1.00 N ATOM 549 CA GLY A 35 -8.000 19.411 -7.807 1.00 1.00 C ATOM 550 C GLY A 35 -7.687 18.811 -9.165 1.00 1.00 C ATOM 551 O GLY A 35 -6.527 18.570 -9.494 1.00 1.00 O ATOM 0 H GLY A 35 -9.935 19.857 -7.129 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -7.172 20.050 -7.500 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -8.074 18.610 -7.072 1.00 1.00 H new ATOM 555 N ASP A 36 -8.721 18.520 -9.935 1.00 1.00 N ATOM 556 CA ASP A 36 -8.526 17.993 -11.276 1.00 1.00 C ATOM 557 C ASP A 36 -8.509 19.120 -12.284 1.00 1.00 C ATOM 558 O ASP A 36 -8.061 18.954 -13.411 1.00 1.00 O ATOM 559 CB ASP A 36 -9.606 16.980 -11.646 1.00 1.00 C ATOM 560 CG ASP A 36 -9.323 15.608 -11.074 1.00 1.00 C ATOM 561 OD1 ASP A 36 -8.296 15.002 -11.456 1.00 1.00 O ATOM 562 OD2 ASP A 36 -10.128 15.128 -10.244 1.00 1.00 O ATOM 0 H ASP A 36 -9.696 18.638 -9.659 1.00 1.00 H new ATOM 0 HA ASP A 36 -7.565 17.479 -11.291 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -10.571 17.331 -11.282 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -9.681 16.911 -12.731 1.00 1.00 H new ATOM 567 N ALA A 37 -9.017 20.266 -11.869 1.00 1.00 N ATOM 568 CA ALA A 37 -9.041 21.435 -12.723 1.00 1.00 C ATOM 569 C ALA A 37 -7.688 22.128 -12.712 1.00 1.00 C ATOM 570 O ALA A 37 -7.330 22.847 -13.645 1.00 1.00 O ATOM 571 CB ALA A 37 -10.142 22.382 -12.281 1.00 1.00 C ATOM 0 H ALA A 37 -9.419 20.410 -10.943 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.250 21.121 -13.746 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -10.151 23.258 -12.930 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -11.105 21.875 -12.343 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -9.962 22.695 -11.252 1.00 1.00 H new ATOM 577 N VAL A 38 -6.931 21.915 -11.643 1.00 1.00 N ATOM 578 CA VAL A 38 -5.622 22.529 -11.510 1.00 1.00 C ATOM 579 C VAL A 38 -4.589 21.493 -11.121 1.00 1.00 C ATOM 580 O VAL A 38 -4.751 20.793 -10.124 1.00 1.00 O ATOM 581 CB VAL A 38 -5.607 23.613 -10.409 1.00 1.00 C ATOM 582 CG1 VAL A 38 -4.332 24.434 -10.475 1.00 1.00 C ATOM 583 CG2 VAL A 38 -6.841 24.499 -10.481 1.00 1.00 C ATOM 0 H VAL A 38 -7.203 21.322 -10.859 1.00 1.00 H new ATOM 0 HA VAL A 38 -5.391 22.976 -12.477 1.00 1.00 H new ATOM 0 HB VAL A 38 -5.630 23.106 -9.444 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -4.345 25.190 -9.690 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -3.471 23.781 -10.335 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.263 24.922 -11.447 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -6.796 25.250 -9.692 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -6.877 24.994 -11.451 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -7.735 23.889 -10.351 1.00 1.00 H new ATOM 593 N ARG A 39 -3.539 21.375 -11.913 1.00 1.00 N ATOM 594 CA ARG A 39 -2.465 20.476 -11.574 1.00 1.00 C ATOM 595 C ARG A 39 -1.396 21.243 -10.826 1.00 1.00 C ATOM 596 O ARG A 39 -0.917 22.279 -11.289 1.00 1.00 O ATOM 597 CB ARG A 39 -1.891 19.823 -12.821 1.00 1.00 C ATOM 598 CG ARG A 39 -2.935 19.092 -13.640 1.00 1.00 C ATOM 599 CD ARG A 39 -3.686 18.069 -12.797 1.00 1.00 C ATOM 600 NE ARG A 39 -4.293 17.011 -13.612 1.00 1.00 N ATOM 601 CZ ARG A 39 -5.313 16.243 -13.217 1.00 1.00 C ATOM 602 NH1 ARG A 39 -5.890 16.436 -12.035 1.00 1.00 N ATOM 603 NH2 ARG A 39 -5.755 15.270 -14.012 1.00 1.00 N ATOM 0 H ARG A 39 -3.412 21.887 -12.786 1.00 1.00 H new ATOM 0 HA ARG A 39 -2.850 19.680 -10.937 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -1.420 20.586 -13.440 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -1.109 19.122 -12.530 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -3.641 19.810 -14.057 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -2.455 18.591 -14.481 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -3.000 17.621 -12.077 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -4.464 18.574 -12.225 1.00 1.00 H new ATOM 0 HE ARG A 39 -3.910 16.851 -14.544 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -5.555 17.177 -11.419 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -6.668 15.844 -11.744 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -5.315 15.113 -14.919 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -6.533 14.682 -13.714 1.00 1.00 H new ATOM 617 N VAL A 40 -0.975 20.705 -9.705 1.00 1.00 N ATOM 618 CA VAL A 40 -0.022 21.384 -8.862 1.00 1.00 C ATOM 619 C VAL A 40 1.201 20.501 -8.660 1.00 1.00 C ATOM 620 O VAL A 40 1.106 19.368 -8.189 1.00 1.00 O ATOM 621 CB VAL A 40 -0.667 21.782 -7.517 1.00 1.00 C ATOM 622 CG1 VAL A 40 0.361 22.304 -6.536 1.00 1.00 C ATOM 623 CG2 VAL A 40 -1.759 22.815 -7.748 1.00 1.00 C ATOM 0 H VAL A 40 -1.279 19.796 -9.356 1.00 1.00 H new ATOM 0 HA VAL A 40 0.297 22.305 -9.349 1.00 1.00 H new ATOM 0 HB VAL A 40 -1.109 20.887 -7.079 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -0.132 22.574 -5.602 1.00 1.00 H new ATOM 0 HG12 VAL A 40 1.106 21.532 -6.344 1.00 1.00 H new ATOM 0 HG13 VAL A 40 0.850 23.183 -6.955 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -2.208 23.089 -6.793 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -1.329 23.701 -8.215 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -2.524 22.396 -8.402 1.00 1.00 H new ATOM 633 N THR A 41 2.324 21.012 -9.125 1.00 1.00 N ATOM 634 CA THR A 41 3.578 20.286 -9.113 1.00 1.00 C ATOM 635 C THR A 41 4.684 21.152 -8.531 1.00 1.00 C ATOM 636 O THR A 41 4.453 22.304 -8.172 1.00 1.00 O ATOM 637 CB THR A 41 3.967 19.861 -10.549 1.00 1.00 C ATOM 638 OG1 THR A 41 4.029 21.014 -11.400 1.00 1.00 O ATOM 639 CG2 THR A 41 2.959 18.880 -11.126 1.00 1.00 C ATOM 0 H THR A 41 2.392 21.948 -9.524 1.00 1.00 H new ATOM 0 HA THR A 41 3.451 19.397 -8.495 1.00 1.00 H new ATOM 0 HB THR A 41 4.942 19.376 -10.499 1.00 1.00 H new ATOM 0 HG1 THR A 41 4.277 20.738 -12.307 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.260 18.600 -12.136 1.00 1.00 H new ATOM 0 HG22 THR A 41 2.919 17.989 -10.500 1.00 1.00 H new ATOM 0 HG23 THR A 41 1.974 19.346 -11.157 1.00 1.00 H new ATOM 647 N SER A 42 5.896 20.633 -8.515 1.00 1.00 N ATOM 648 CA SER A 42 7.018 21.386 -8.001 1.00 1.00 C ATOM 649 C SER A 42 8.328 20.801 -8.514 1.00 1.00 C ATOM 650 O SER A 42 8.334 19.716 -9.111 1.00 1.00 O ATOM 651 CB SER A 42 6.984 21.394 -6.472 1.00 1.00 C ATOM 652 OG SER A 42 7.172 20.097 -5.941 1.00 1.00 O ATOM 0 H SER A 42 6.126 19.698 -8.851 1.00 1.00 H new ATOM 0 HA SER A 42 6.948 22.415 -8.353 1.00 1.00 H new ATOM 0 HB2 SER A 42 7.760 22.059 -6.094 1.00 1.00 H new ATOM 0 HB3 SER A 42 6.029 21.793 -6.131 1.00 1.00 H new ATOM 0 HG SER A 42 6.301 19.700 -5.730 1.00 1.00 H new ATOM 658 N ALA A 43 9.412 21.558 -8.365 1.00 1.00 N ATOM 659 CA ALA A 43 10.718 21.121 -8.827 1.00 1.00 C ATOM 660 C ALA A 43 11.839 21.950 -8.212 1.00 1.00 C ATOM 661 O ALA A 43 11.603 22.991 -7.595 1.00 1.00 O ATOM 662 CB ALA A 43 10.792 21.227 -10.335 1.00 1.00 C ATOM 0 H ALA A 43 9.407 22.479 -7.926 1.00 1.00 H new ATOM 0 HA ALA A 43 10.848 20.084 -8.516 1.00 1.00 H new ATOM 0 HB1 ALA A 43 11.774 20.898 -10.675 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.023 20.597 -10.782 1.00 1.00 H new ATOM 0 HB3 ALA A 43 10.632 22.263 -10.635 1.00 1.00 H new ATOM 668 N GLY A 44 13.054 21.451 -8.365 1.00 1.00 N ATOM 669 CA GLY A 44 14.224 22.153 -7.894 1.00 1.00 C ATOM 670 C GLY A 44 15.214 22.356 -9.019 1.00 1.00 C ATOM 671 O GLY A 44 15.518 21.414 -9.751 1.00 1.00 O ATOM 0 H GLY A 44 13.251 20.557 -8.815 1.00 1.00 H new ATOM 0 HA2 GLY A 44 13.933 23.119 -7.480 1.00 1.00 H new ATOM 0 HA3 GLY A 44 14.693 21.589 -7.088 1.00 1.00 H new ATOM 675 N THR A 45 15.715 23.577 -9.165 1.00 1.00 N ATOM 676 CA THR A 45 16.614 23.918 -10.263 1.00 1.00 C ATOM 677 C THR A 45 17.957 23.193 -10.154 1.00 1.00 C ATOM 678 O THR A 45 18.573 22.868 -11.164 1.00 1.00 O ATOM 679 CB THR A 45 16.869 25.440 -10.310 1.00 1.00 C ATOM 680 OG1 THR A 45 17.304 25.895 -9.020 1.00 1.00 O ATOM 681 CG2 THR A 45 15.615 26.196 -10.715 1.00 1.00 C ATOM 0 H THR A 45 15.513 24.352 -8.533 1.00 1.00 H new ATOM 0 HA THR A 45 16.120 23.596 -11.180 1.00 1.00 H new ATOM 0 HB THR A 45 17.642 25.632 -11.054 1.00 1.00 H new ATOM 0 HG1 THR A 45 17.763 26.755 -9.114 1.00 1.00 H new ATOM 0 HG21 THR A 45 15.826 27.265 -10.739 1.00 1.00 H new ATOM 0 HG22 THR A 45 15.295 25.867 -11.704 1.00 1.00 H new ATOM 0 HG23 THR A 45 14.822 25.999 -9.993 1.00 1.00 H new ATOM 689 N GLY A 46 18.369 22.884 -8.925 1.00 1.00 N ATOM 690 CA GLY A 46 19.672 22.275 -8.712 1.00 1.00 C ATOM 691 C GLY A 46 19.603 20.804 -8.355 1.00 1.00 C ATOM 692 O GLY A 46 20.595 20.237 -7.902 1.00 1.00 O ATOM 0 H GLY A 46 17.826 23.044 -8.077 1.00 1.00 H new ATOM 0 HA2 GLY A 46 20.271 22.393 -9.615 1.00 1.00 H new ATOM 0 HA3 GLY A 46 20.188 22.810 -7.915 1.00 1.00 H new ATOM 696 N ASN A 47 18.412 20.215 -8.501 1.00 1.00 N ATOM 697 CA ASN A 47 18.170 18.779 -8.250 1.00 1.00 C ATOM 698 C ASN A 47 18.814 18.265 -6.952 1.00 1.00 C ATOM 699 O ASN A 47 19.164 17.089 -6.861 1.00 1.00 O ATOM 700 CB ASN A 47 18.621 17.923 -9.456 1.00 1.00 C ATOM 701 CG ASN A 47 20.119 17.937 -9.719 1.00 1.00 C ATOM 702 OD1 ASN A 47 20.619 18.753 -10.497 1.00 1.00 O ATOM 703 ND2 ASN A 47 20.841 17.038 -9.070 1.00 1.00 N ATOM 0 H ASN A 47 17.578 20.720 -8.799 1.00 1.00 H new ATOM 0 HA ASN A 47 17.093 18.676 -8.120 1.00 1.00 H new ATOM 0 HB2 ASN A 47 18.304 16.893 -9.292 1.00 1.00 H new ATOM 0 HB3 ASN A 47 18.106 18.277 -10.349 1.00 1.00 H new ATOM 0 HD21 ASN A 47 21.851 17.002 -9.204 1.00 1.00 H new ATOM 0 HD22 ASN A 47 20.387 16.381 -8.435 1.00 1.00 H new ATOM 710 N TRP A 48 18.856 19.122 -5.925 1.00 1.00 N ATOM 711 CA TRP A 48 19.427 18.774 -4.617 1.00 1.00 C ATOM 712 C TRP A 48 18.964 17.396 -4.138 1.00 1.00 C ATOM 713 O TRP A 48 19.719 16.424 -4.144 1.00 1.00 O ATOM 714 CB TRP A 48 18.999 19.816 -3.575 1.00 1.00 C ATOM 715 CG TRP A 48 20.063 20.790 -3.160 1.00 1.00 C ATOM 716 CD1 TRP A 48 20.657 20.866 -1.932 1.00 1.00 C ATOM 717 CD2 TRP A 48 20.641 21.837 -3.951 1.00 1.00 C ATOM 718 NE1 TRP A 48 21.567 21.893 -1.908 1.00 1.00 N ATOM 719 CE2 TRP A 48 21.578 22.503 -3.137 1.00 1.00 C ATOM 720 CE3 TRP A 48 20.464 22.272 -5.268 1.00 1.00 C ATOM 721 CZ2 TRP A 48 22.325 23.585 -3.597 1.00 1.00 C ATOM 722 CZ3 TRP A 48 21.206 23.346 -5.722 1.00 1.00 C ATOM 723 CH2 TRP A 48 22.131 23.990 -4.889 1.00 1.00 C ATOM 0 H TRP A 48 18.496 20.075 -5.976 1.00 1.00 H new ATOM 0 HA TRP A 48 20.511 18.757 -4.731 1.00 1.00 H new ATOM 0 HB2 TRP A 48 18.153 20.377 -3.973 1.00 1.00 H new ATOM 0 HB3 TRP A 48 18.644 19.292 -2.687 1.00 1.00 H new ATOM 0 HD1 TRP A 48 20.441 20.212 -1.100 1.00 1.00 H new ATOM 0 HE1 TRP A 48 22.141 22.159 -1.108 1.00 1.00 H new ATOM 0 HE3 TRP A 48 19.759 21.777 -5.920 1.00 1.00 H new ATOM 0 HZ2 TRP A 48 23.034 24.087 -2.955 1.00 1.00 H new ATOM 0 HZ3 TRP A 48 21.071 23.695 -6.735 1.00 1.00 H new ATOM 0 HH2 TRP A 48 22.702 24.822 -5.275 1.00 1.00 H new ATOM 734 N HIS A 49 17.721 17.351 -3.700 1.00 1.00 N ATOM 735 CA HIS A 49 17.132 16.122 -3.187 1.00 1.00 C ATOM 736 C HIS A 49 16.122 15.551 -4.163 1.00 1.00 C ATOM 737 O HIS A 49 15.077 15.040 -3.761 1.00 1.00 O ATOM 738 CB HIS A 49 16.476 16.364 -1.827 1.00 1.00 C ATOM 739 CG HIS A 49 17.455 16.497 -0.697 1.00 1.00 C ATOM 740 ND1 HIS A 49 17.415 15.706 0.433 1.00 1.00 N ATOM 741 CD2 HIS A 49 18.498 17.344 -0.521 1.00 1.00 C ATOM 742 CE1 HIS A 49 18.391 16.057 1.247 1.00 1.00 C ATOM 743 NE2 HIS A 49 19.061 17.048 0.692 1.00 1.00 N ATOM 0 H HIS A 49 17.093 18.155 -3.688 1.00 1.00 H new ATOM 0 HA HIS A 49 17.935 15.395 -3.063 1.00 1.00 H new ATOM 0 HB2 HIS A 49 15.873 17.270 -1.881 1.00 1.00 H new ATOM 0 HB3 HIS A 49 15.795 15.541 -1.611 1.00 1.00 H new ATOM 0 HD2 HIS A 49 18.825 18.110 -1.209 1.00 1.00 H new ATOM 0 HE1 HIS A 49 18.605 15.609 2.206 1.00 1.00 H new ATOM 0 HE2 HIS A 49 19.869 17.518 1.100 1.00 1.00 H new ATOM 752 N VAL A 50 16.458 15.595 -5.446 1.00 1.00 N ATOM 753 CA VAL A 50 15.580 15.056 -6.482 1.00 1.00 C ATOM 754 C VAL A 50 15.349 13.556 -6.260 1.00 1.00 C ATOM 755 O VAL A 50 16.295 12.792 -6.054 1.00 1.00 O ATOM 756 CB VAL A 50 16.135 15.319 -7.908 1.00 1.00 C ATOM 757 CG1 VAL A 50 17.466 14.620 -8.132 1.00 1.00 C ATOM 758 CG2 VAL A 50 15.135 14.897 -8.974 1.00 1.00 C ATOM 0 H VAL A 50 17.328 15.996 -5.795 1.00 1.00 H new ATOM 0 HA VAL A 50 14.625 15.576 -6.406 1.00 1.00 H new ATOM 0 HB VAL A 50 16.300 16.393 -7.991 1.00 1.00 H new ATOM 0 HG11 VAL A 50 17.821 14.828 -9.141 1.00 1.00 H new ATOM 0 HG12 VAL A 50 18.195 14.985 -7.408 1.00 1.00 H new ATOM 0 HG13 VAL A 50 17.338 13.545 -8.007 1.00 1.00 H new ATOM 0 HG21 VAL A 50 15.552 15.093 -9.962 1.00 1.00 H new ATOM 0 HG22 VAL A 50 14.924 13.832 -8.874 1.00 1.00 H new ATOM 0 HG23 VAL A 50 14.211 15.463 -8.851 1.00 1.00 H new ATOM 768 N GLY A 51 14.081 13.160 -6.234 1.00 1.00 N ATOM 769 CA GLY A 51 13.738 11.770 -6.002 1.00 1.00 C ATOM 770 C GLY A 51 13.459 11.481 -4.542 1.00 1.00 C ATOM 771 O GLY A 51 12.966 10.405 -4.201 1.00 1.00 O ATOM 0 H GLY A 51 13.282 13.780 -6.370 1.00 1.00 H new ATOM 0 HA2 GLY A 51 12.861 11.511 -6.595 1.00 1.00 H new ATOM 0 HA3 GLY A 51 14.554 11.135 -6.346 1.00 1.00 H new ATOM 775 N SER A 52 13.811 12.425 -3.681 1.00 1.00 N ATOM 776 CA SER A 52 13.593 12.279 -2.249 1.00 1.00 C ATOM 777 C SER A 52 12.143 12.616 -1.887 1.00 1.00 C ATOM 778 O SER A 52 11.273 12.691 -2.759 1.00 1.00 O ATOM 779 CB SER A 52 14.553 13.179 -1.477 1.00 1.00 C ATOM 780 OG SER A 52 14.841 12.647 -0.194 1.00 1.00 O ATOM 0 H SER A 52 14.251 13.305 -3.951 1.00 1.00 H new ATOM 0 HA SER A 52 13.784 11.242 -1.974 1.00 1.00 H new ATOM 0 HB2 SER A 52 15.479 13.295 -2.041 1.00 1.00 H new ATOM 0 HB3 SER A 52 14.117 14.173 -1.371 1.00 1.00 H new ATOM 0 HG SER A 52 15.460 13.244 0.276 1.00 1.00 H new ATOM 786 N CYS A 53 11.913 12.918 -0.616 1.00 1.00 N ATOM 787 CA CYS A 53 10.580 13.236 -0.133 1.00 1.00 C ATOM 788 C CYS A 53 10.619 14.535 0.665 1.00 1.00 C ATOM 789 O CYS A 53 11.702 15.074 0.917 1.00 1.00 O ATOM 790 CB CYS A 53 10.059 12.086 0.734 1.00 1.00 C ATOM 791 SG CYS A 53 8.307 12.208 1.183 1.00 1.00 S ATOM 0 H CYS A 53 12.638 12.949 0.101 1.00 1.00 H new ATOM 0 HA CYS A 53 9.906 13.368 -0.979 1.00 1.00 H new ATOM 0 HB2 CYS A 53 10.219 11.148 0.203 1.00 1.00 H new ATOM 0 HB3 CYS A 53 10.652 12.041 1.648 1.00 1.00 H new ATOM 0 HG CYS A 53 7.604 12.468 0.121 1.00 1.00 H new ATOM 797 N ALA A 54 9.443 15.059 1.005 1.00 1.00 N ATOM 798 CA ALA A 54 9.331 16.324 1.734 1.00 1.00 C ATOM 799 C ALA A 54 10.092 16.294 3.055 1.00 1.00 C ATOM 800 O ALA A 54 10.111 15.281 3.760 1.00 1.00 O ATOM 801 CB ALA A 54 7.873 16.673 1.969 1.00 1.00 C ATOM 0 H ALA A 54 8.547 14.624 0.786 1.00 1.00 H new ATOM 0 HA ALA A 54 9.787 17.097 1.115 1.00 1.00 H new ATOM 0 HB1 ALA A 54 7.808 17.616 2.512 1.00 1.00 H new ATOM 0 HB2 ALA A 54 7.363 16.770 1.011 1.00 1.00 H new ATOM 0 HB3 ALA A 54 7.400 15.884 2.554 1.00 1.00 H new ATOM 807 N ASP A 55 10.683 17.433 3.379 1.00 1.00 N ATOM 808 CA ASP A 55 11.499 17.607 4.567 1.00 1.00 C ATOM 809 C ASP A 55 10.706 17.424 5.856 1.00 1.00 C ATOM 810 O ASP A 55 9.531 17.775 5.949 1.00 1.00 O ATOM 811 CB ASP A 55 12.123 19.002 4.544 1.00 1.00 C ATOM 812 CG ASP A 55 11.083 20.098 4.499 1.00 1.00 C ATOM 813 OD1 ASP A 55 10.267 20.101 3.566 1.00 1.00 O ATOM 814 OD2 ASP A 55 11.090 20.967 5.396 1.00 1.00 O ATOM 0 H ASP A 55 10.607 18.277 2.812 1.00 1.00 H new ATOM 0 HA ASP A 55 12.270 16.837 4.553 1.00 1.00 H new ATOM 0 HB2 ASP A 55 12.747 19.133 5.428 1.00 1.00 H new ATOM 0 HB3 ASP A 55 12.777 19.090 3.677 1.00 1.00 H new ATOM 819 N GLU A 56 11.383 16.852 6.843 1.00 1.00 N ATOM 820 CA GLU A 56 10.822 16.605 8.168 1.00 1.00 C ATOM 821 C GLU A 56 10.122 17.826 8.766 1.00 1.00 C ATOM 822 O GLU A 56 9.021 17.703 9.307 1.00 1.00 O ATOM 823 CB GLU A 56 11.941 16.156 9.109 1.00 1.00 C ATOM 824 CG GLU A 56 13.156 17.071 9.062 1.00 1.00 C ATOM 825 CD GLU A 56 14.109 16.849 10.213 1.00 1.00 C ATOM 826 OE1 GLU A 56 14.938 15.925 10.134 1.00 1.00 O ATOM 827 OE2 GLU A 56 14.040 17.618 11.194 1.00 1.00 O ATOM 0 H GLU A 56 12.350 16.542 6.746 1.00 1.00 H new ATOM 0 HA GLU A 56 10.065 15.829 8.054 1.00 1.00 H new ATOM 0 HB2 GLU A 56 11.559 16.120 10.129 1.00 1.00 H new ATOM 0 HB3 GLU A 56 12.245 15.143 8.847 1.00 1.00 H new ATOM 0 HG2 GLU A 56 13.686 16.913 8.123 1.00 1.00 H new ATOM 0 HG3 GLU A 56 12.823 18.109 9.069 1.00 1.00 H new ATOM 834 N ARG A 57 10.728 19.006 8.641 1.00 1.00 N ATOM 835 CA ARG A 57 10.188 20.198 9.271 1.00 1.00 C ATOM 836 C ARG A 57 8.911 20.670 8.574 1.00 1.00 C ATOM 837 O ARG A 57 7.938 21.026 9.243 1.00 1.00 O ATOM 838 CB ARG A 57 11.245 21.310 9.304 1.00 1.00 C ATOM 839 CG ARG A 57 11.907 21.564 7.968 1.00 1.00 C ATOM 840 CD ARG A 57 12.654 22.885 7.929 1.00 1.00 C ATOM 841 NE ARG A 57 13.900 22.860 8.698 1.00 1.00 N ATOM 842 CZ ARG A 57 15.083 23.239 8.197 1.00 1.00 C ATOM 843 NH1 ARG A 57 15.183 23.550 6.909 1.00 1.00 N ATOM 844 NH2 ARG A 57 16.164 23.286 8.969 1.00 1.00 N ATOM 0 H ARG A 57 11.587 19.156 8.112 1.00 1.00 H new ATOM 0 HA ARG A 57 9.921 19.947 10.298 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.777 22.232 9.648 1.00 1.00 H new ATOM 0 HB3 ARG A 57 12.011 21.049 10.034 1.00 1.00 H new ATOM 0 HG2 ARG A 57 12.601 20.752 7.750 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.150 21.556 7.184 1.00 1.00 H new ATOM 0 HD2 ARG A 57 12.878 23.139 6.893 1.00 1.00 H new ATOM 0 HD3 ARG A 57 12.009 23.673 8.318 1.00 1.00 H new ATOM 0 HE ARG A 57 13.865 22.537 9.665 1.00 1.00 H new ATOM 0 HH11 ARG A 57 14.361 23.500 6.307 1.00 1.00 H new ATOM 0 HH12 ARG A 57 16.082 23.839 6.522 1.00 1.00 H new ATOM 0 HH21 ARG A 57 16.098 23.032 9.955 1.00 1.00 H new ATOM 0 HH22 ARG A 57 17.059 23.576 8.576 1.00 1.00 H new ATOM 858 N ALA A 58 8.888 20.617 7.245 1.00 1.00 N ATOM 859 CA ALA A 58 7.700 21.005 6.498 1.00 1.00 C ATOM 860 C ALA A 58 6.609 19.967 6.690 1.00 1.00 C ATOM 861 O ALA A 58 5.430 20.299 6.800 1.00 1.00 O ATOM 862 CB ALA A 58 8.014 21.172 5.023 1.00 1.00 C ATOM 0 H ALA A 58 9.672 20.312 6.669 1.00 1.00 H new ATOM 0 HA ALA A 58 7.352 21.965 6.878 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.109 21.462 4.489 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.773 21.945 4.898 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.386 20.230 4.621 1.00 1.00 H new ATOM 868 N ALA A 59 7.016 18.710 6.782 1.00 1.00 N ATOM 869 CA ALA A 59 6.080 17.622 6.975 1.00 1.00 C ATOM 870 C ALA A 59 5.365 17.748 8.309 1.00 1.00 C ATOM 871 O ALA A 59 4.154 17.557 8.388 1.00 1.00 O ATOM 872 CB ALA A 59 6.798 16.285 6.879 1.00 1.00 C ATOM 0 H ALA A 59 7.993 18.421 6.725 1.00 1.00 H new ATOM 0 HA ALA A 59 5.330 17.674 6.186 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.082 15.476 7.026 1.00 1.00 H new ATOM 0 HB2 ALA A 59 7.257 16.189 5.895 1.00 1.00 H new ATOM 0 HB3 ALA A 59 7.570 16.231 7.647 1.00 1.00 H new ATOM 878 N GLY A 60 6.103 18.100 9.357 1.00 1.00 N ATOM 879 CA GLY A 60 5.501 18.204 10.666 1.00 1.00 C ATOM 880 C GLY A 60 4.540 19.341 10.706 1.00 1.00 C ATOM 881 O GLY A 60 3.491 19.278 11.339 1.00 1.00 O ATOM 0 H GLY A 60 7.100 18.313 9.320 1.00 1.00 H new ATOM 0 HA2 GLY A 60 4.986 17.275 10.911 1.00 1.00 H new ATOM 0 HA3 GLY A 60 6.276 18.347 11.419 1.00 1.00 H new ATOM 885 N VAL A 61 4.907 20.361 9.976 1.00 1.00 N ATOM 886 CA VAL A 61 4.102 21.531 9.804 1.00 1.00 C ATOM 887 C VAL A 61 2.781 21.188 9.098 1.00 1.00 C ATOM 888 O VAL A 61 1.695 21.386 9.656 1.00 1.00 O ATOM 889 CB VAL A 61 4.946 22.560 9.023 1.00 1.00 C ATOM 890 CG1 VAL A 61 4.211 23.170 7.865 1.00 1.00 C ATOM 891 CG2 VAL A 61 5.474 23.600 9.972 1.00 1.00 C ATOM 0 H VAL A 61 5.795 20.398 9.475 1.00 1.00 H new ATOM 0 HA VAL A 61 3.817 21.957 10.766 1.00 1.00 H new ATOM 0 HB VAL A 61 5.787 22.031 8.574 1.00 1.00 H new ATOM 0 HG11 VAL A 61 4.860 23.884 7.358 1.00 1.00 H new ATOM 0 HG12 VAL A 61 3.918 22.386 7.166 1.00 1.00 H new ATOM 0 HG13 VAL A 61 3.321 23.683 8.229 1.00 1.00 H new ATOM 0 HG21 VAL A 61 6.070 24.327 9.420 1.00 1.00 H new ATOM 0 HG22 VAL A 61 4.640 24.108 10.456 1.00 1.00 H new ATOM 0 HG23 VAL A 61 6.095 23.120 10.728 1.00 1.00 H new ATOM 901 N LEU A 62 2.876 20.556 7.937 1.00 1.00 N ATOM 902 CA LEU A 62 1.695 20.220 7.154 1.00 1.00 C ATOM 903 C LEU A 62 0.788 19.264 7.912 1.00 1.00 C ATOM 904 O LEU A 62 -0.387 19.557 8.140 1.00 1.00 O ATOM 905 CB LEU A 62 2.115 19.607 5.819 1.00 1.00 C ATOM 906 CG LEU A 62 2.994 20.504 4.944 1.00 1.00 C ATOM 907 CD1 LEU A 62 3.397 19.787 3.666 1.00 1.00 C ATOM 908 CD2 LEU A 62 2.271 21.802 4.625 1.00 1.00 C ATOM 0 H LEU A 62 3.759 20.265 7.516 1.00 1.00 H new ATOM 0 HA LEU A 62 1.134 21.136 6.968 1.00 1.00 H new ATOM 0 HB2 LEU A 62 2.651 18.678 6.015 1.00 1.00 H new ATOM 0 HB3 LEU A 62 1.218 19.345 5.258 1.00 1.00 H new ATOM 0 HG LEU A 62 3.902 20.740 5.499 1.00 1.00 H new ATOM 0 HD11 LEU A 62 4.021 20.445 3.061 1.00 1.00 H new ATOM 0 HD12 LEU A 62 3.956 18.885 3.916 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.503 19.516 3.104 1.00 1.00 H new ATOM 0 HD21 LEU A 62 2.908 22.430 4.002 1.00 1.00 H new ATOM 0 HD22 LEU A 62 1.346 21.582 4.092 1.00 1.00 H new ATOM 0 HD23 LEU A 62 2.039 22.327 5.552 1.00 1.00 H new ATOM 920 N ARG A 63 1.368 18.179 8.390 1.00 1.00 N ATOM 921 CA ARG A 63 0.606 17.152 9.084 1.00 1.00 C ATOM 922 C ARG A 63 0.011 17.682 10.393 1.00 1.00 C ATOM 923 O ARG A 63 -0.996 17.164 10.875 1.00 1.00 O ATOM 924 CB ARG A 63 1.473 15.916 9.328 1.00 1.00 C ATOM 925 CG ARG A 63 2.378 16.003 10.547 1.00 1.00 C ATOM 926 CD ARG A 63 3.432 14.906 10.531 1.00 1.00 C ATOM 927 NE ARG A 63 2.878 13.603 10.149 1.00 1.00 N ATOM 928 CZ ARG A 63 3.600 12.612 9.624 1.00 1.00 C ATOM 929 NH1 ARG A 63 4.910 12.759 9.447 1.00 1.00 N ATOM 930 NH2 ARG A 63 3.009 11.474 9.270 1.00 1.00 N ATOM 0 H ARG A 63 2.366 17.984 8.311 1.00 1.00 H new ATOM 0 HA ARG A 63 -0.229 16.863 8.446 1.00 1.00 H new ATOM 0 HB2 ARG A 63 0.822 15.049 9.437 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.090 15.742 8.446 1.00 1.00 H new ATOM 0 HG2 ARG A 63 2.865 16.978 10.573 1.00 1.00 H new ATOM 0 HG3 ARG A 63 1.779 15.922 11.454 1.00 1.00 H new ATOM 0 HD2 ARG A 63 4.225 15.178 9.835 1.00 1.00 H new ATOM 0 HD3 ARG A 63 3.887 14.829 11.518 1.00 1.00 H new ATOM 0 HE ARG A 63 1.881 13.445 10.293 1.00 1.00 H new ATOM 0 HH11 ARG A 63 5.366 13.632 9.713 1.00 1.00 H new ATOM 0 HH12 ARG A 63 5.459 11.999 9.045 1.00 1.00 H new ATOM 0 HH21 ARG A 63 2.004 11.359 9.400 1.00 1.00 H new ATOM 0 HH22 ARG A 63 3.561 10.716 8.868 1.00 1.00 H new ATOM 944 N ALA A 64 0.612 18.733 10.952 1.00 1.00 N ATOM 945 CA ALA A 64 0.094 19.345 12.176 1.00 1.00 C ATOM 946 C ALA A 64 -1.206 20.080 11.897 1.00 1.00 C ATOM 947 O ALA A 64 -2.112 20.112 12.730 1.00 1.00 O ATOM 948 CB ALA A 64 1.106 20.312 12.778 1.00 1.00 C ATOM 0 H ALA A 64 1.452 19.176 10.580 1.00 1.00 H new ATOM 0 HA ALA A 64 -0.092 18.544 12.891 1.00 1.00 H new ATOM 0 HB1 ALA A 64 0.694 20.751 13.686 1.00 1.00 H new ATOM 0 HB2 ALA A 64 2.024 19.775 13.019 1.00 1.00 H new ATOM 0 HB3 ALA A 64 1.326 21.102 12.060 1.00 1.00 H new ATOM 954 N HIS A 65 -1.304 20.639 10.703 1.00 1.00 N ATOM 955 CA HIS A 65 -2.490 21.396 10.332 1.00 1.00 C ATOM 956 C HIS A 65 -3.475 20.526 9.550 1.00 1.00 C ATOM 957 O HIS A 65 -4.536 20.993 9.141 1.00 1.00 O ATOM 958 CB HIS A 65 -2.104 22.652 9.547 1.00 1.00 C ATOM 959 CG HIS A 65 -1.232 23.589 10.339 1.00 1.00 C ATOM 960 ND1 HIS A 65 0.111 23.626 10.490 1.00 1.00 N flip ATOM 961 CD2 HIS A 65 -1.727 24.607 11.124 1.00 1.00 C flip ATOM 962 CE1 HIS A 65 0.404 24.641 11.362 1.00 1.00 C flip ATOM 963 NE2 HIS A 65 -0.724 25.217 11.728 1.00 1.00 N flip ATOM 0 H HIS A 65 -0.586 20.585 9.980 1.00 1.00 H new ATOM 0 HA HIS A 65 -2.992 21.715 11.245 1.00 1.00 H new ATOM 0 HB2 HIS A 65 -1.582 22.360 8.636 1.00 1.00 H new ATOM 0 HB3 HIS A 65 -3.009 23.176 9.241 1.00 1.00 H new ATOM 0 HD1 HIS A 65 0.785 23.009 10.036 1.00 1.00 H new ATOM 0 HD2 HIS A 65 -2.770 24.865 11.229 1.00 1.00 H new ATOM 0 HE1 HIS A 65 1.393 24.922 11.694 1.00 1.00 H new ATOM 972 N GLY A 66 -3.122 19.257 9.366 1.00 1.00 N ATOM 973 CA GLY A 66 -4.015 18.322 8.693 1.00 1.00 C ATOM 974 C GLY A 66 -3.709 18.165 7.215 1.00 1.00 C ATOM 975 O GLY A 66 -4.463 17.525 6.476 1.00 1.00 O ATOM 0 H GLY A 66 -2.234 18.857 9.670 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -3.944 17.348 9.178 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -5.044 18.663 8.811 1.00 1.00 H new ATOM 979 N TYR A 67 -2.588 18.723 6.792 1.00 1.00 N ATOM 980 CA TYR A 67 -2.186 18.659 5.399 1.00 1.00 C ATOM 981 C TYR A 67 -1.357 17.409 5.137 1.00 1.00 C ATOM 982 O TYR A 67 -0.679 16.911 6.036 1.00 1.00 O ATOM 983 CB TYR A 67 -1.390 19.903 5.010 1.00 1.00 C ATOM 984 CG TYR A 67 -2.226 21.153 4.886 1.00 1.00 C ATOM 985 CD1 TYR A 67 -2.946 21.413 3.727 1.00 1.00 C ATOM 986 CD2 TYR A 67 -2.298 22.070 5.925 1.00 1.00 C ATOM 987 CE1 TYR A 67 -3.714 22.556 3.608 1.00 1.00 C ATOM 988 CE2 TYR A 67 -3.063 23.214 5.814 1.00 1.00 C ATOM 989 CZ TYR A 67 -3.769 23.453 4.653 1.00 1.00 C ATOM 990 OH TYR A 67 -4.527 24.598 4.534 1.00 1.00 O ATOM 0 H TYR A 67 -1.939 19.227 7.396 1.00 1.00 H new ATOM 0 HA TYR A 67 -3.088 18.616 4.789 1.00 1.00 H new ATOM 0 HB2 TYR A 67 -0.612 20.071 5.754 1.00 1.00 H new ATOM 0 HB3 TYR A 67 -0.888 19.718 4.060 1.00 1.00 H new ATOM 0 HD1 TYR A 67 -2.905 20.712 2.907 1.00 1.00 H new ATOM 0 HD2 TYR A 67 -1.747 21.886 6.835 1.00 1.00 H new ATOM 0 HE1 TYR A 67 -4.268 22.745 2.701 1.00 1.00 H new ATOM 0 HE2 TYR A 67 -3.109 23.918 6.632 1.00 1.00 H new ATOM 0 HH TYR A 67 -4.459 25.122 5.359 1.00 1.00 H new ATOM 1000 N PRO A 68 -1.433 16.863 3.916 1.00 1.00 N ATOM 1001 CA PRO A 68 -0.632 15.706 3.529 1.00 1.00 C ATOM 1002 C PRO A 68 0.829 16.073 3.426 1.00 1.00 C ATOM 1003 O PRO A 68 1.170 17.234 3.206 1.00 1.00 O ATOM 1004 CB PRO A 68 -1.180 15.323 2.155 1.00 1.00 C ATOM 1005 CG PRO A 68 -1.787 16.578 1.631 1.00 1.00 C ATOM 1006 CD PRO A 68 -2.309 17.320 2.827 1.00 1.00 C ATOM 0 HA PRO A 68 -0.694 14.895 4.254 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -0.388 14.961 1.499 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -1.920 14.526 2.231 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -1.048 17.174 1.095 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -2.590 16.358 0.928 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -2.249 18.400 2.689 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -3.354 17.081 3.024 1.00 1.00 H new ATOM 1014 N THR A 69 1.697 15.095 3.563 1.00 1.00 N ATOM 1015 CA THR A 69 3.119 15.358 3.532 1.00 1.00 C ATOM 1016 C THR A 69 3.815 14.407 2.567 1.00 1.00 C ATOM 1017 O THR A 69 5.045 14.332 2.511 1.00 1.00 O ATOM 1018 CB THR A 69 3.718 15.219 4.942 1.00 1.00 C ATOM 1019 OG1 THR A 69 3.622 13.858 5.384 1.00 1.00 O ATOM 1020 CG2 THR A 69 2.978 16.116 5.921 1.00 1.00 C ATOM 0 H THR A 69 1.445 14.116 3.696 1.00 1.00 H new ATOM 0 HA THR A 69 3.275 16.379 3.185 1.00 1.00 H new ATOM 0 HB THR A 69 4.766 15.517 4.902 1.00 1.00 H new ATOM 0 HG1 THR A 69 4.007 13.778 6.282 1.00 1.00 H new ATOM 0 HG21 THR A 69 3.413 16.007 6.915 1.00 1.00 H new ATOM 0 HG22 THR A 69 3.063 17.154 5.599 1.00 1.00 H new ATOM 0 HG23 THR A 69 1.926 15.831 5.952 1.00 1.00 H new ATOM 1028 N ASP A 70 3.007 13.746 1.753 1.00 1.00 N ATOM 1029 CA ASP A 70 3.511 12.794 0.777 1.00 1.00 C ATOM 1030 C ASP A 70 3.915 13.542 -0.489 1.00 1.00 C ATOM 1031 O ASP A 70 3.122 14.310 -1.044 1.00 1.00 O ATOM 1032 CB ASP A 70 2.441 11.739 0.476 1.00 1.00 C ATOM 1033 CG ASP A 70 2.979 10.555 -0.303 1.00 1.00 C ATOM 1034 OD1 ASP A 70 4.205 10.315 -0.265 1.00 1.00 O ATOM 1035 OD2 ASP A 70 2.173 9.852 -0.951 1.00 1.00 O ATOM 0 H ASP A 70 1.993 13.853 1.750 1.00 1.00 H new ATOM 0 HA ASP A 70 4.386 12.281 1.176 1.00 1.00 H new ATOM 0 HB2 ASP A 70 2.013 11.385 1.414 1.00 1.00 H new ATOM 0 HB3 ASP A 70 1.632 12.201 -0.089 1.00 1.00 H new ATOM 1040 N HIS A 71 5.157 13.347 -0.918 1.00 1.00 N ATOM 1041 CA HIS A 71 5.713 14.076 -2.050 1.00 1.00 C ATOM 1042 C HIS A 71 6.994 13.410 -2.532 1.00 1.00 C ATOM 1043 O HIS A 71 7.696 12.771 -1.754 1.00 1.00 O ATOM 1044 CB HIS A 71 5.973 15.536 -1.622 1.00 1.00 C ATOM 1045 CG HIS A 71 6.962 16.310 -2.454 1.00 1.00 C ATOM 1046 ND1 HIS A 71 6.610 17.095 -3.530 1.00 1.00 N ATOM 1047 CD2 HIS A 71 8.303 16.453 -2.312 1.00 1.00 C ATOM 1048 CE1 HIS A 71 7.695 17.683 -4.010 1.00 1.00 C ATOM 1049 NE2 HIS A 71 8.734 17.314 -3.288 1.00 1.00 N ATOM 0 H HIS A 71 5.803 12.682 -0.493 1.00 1.00 H new ATOM 0 HA HIS A 71 5.006 14.067 -2.880 1.00 1.00 H new ATOM 0 HB2 HIS A 71 5.023 16.070 -1.635 1.00 1.00 H new ATOM 0 HB3 HIS A 71 6.323 15.533 -0.590 1.00 1.00 H new ATOM 0 HD1 HIS A 71 5.665 17.206 -3.898 1.00 1.00 H new ATOM 0 HD2 HIS A 71 8.920 15.975 -1.565 1.00 1.00 H new ATOM 0 HE1 HIS A 71 7.724 18.355 -4.855 1.00 1.00 H new ATOM 0 HE2 HIS A 71 9.697 17.618 -3.431 1.00 1.00 H new ATOM 1058 N ARG A 72 7.312 13.601 -3.801 1.00 1.00 N ATOM 1059 CA ARG A 72 8.539 13.078 -4.367 1.00 1.00 C ATOM 1060 C ARG A 72 9.199 14.171 -5.187 1.00 1.00 C ATOM 1061 O ARG A 72 8.622 14.669 -6.152 1.00 1.00 O ATOM 1062 CB ARG A 72 8.267 11.861 -5.244 1.00 1.00 C ATOM 1063 CG ARG A 72 9.409 10.863 -5.243 1.00 1.00 C ATOM 1064 CD ARG A 72 9.432 10.079 -3.942 1.00 1.00 C ATOM 1065 NE ARG A 72 10.562 9.159 -3.876 1.00 1.00 N ATOM 1066 CZ ARG A 72 10.503 7.935 -3.354 1.00 1.00 C ATOM 1067 NH1 ARG A 72 9.355 7.468 -2.875 1.00 1.00 N ATOM 1068 NH2 ARG A 72 11.593 7.177 -3.324 1.00 1.00 N ATOM 0 H ARG A 72 6.731 14.118 -4.461 1.00 1.00 H new ATOM 0 HA ARG A 72 9.198 12.762 -3.558 1.00 1.00 H new ATOM 0 HB2 ARG A 72 7.359 11.366 -4.898 1.00 1.00 H new ATOM 0 HB3 ARG A 72 8.081 12.191 -6.266 1.00 1.00 H new ATOM 0 HG2 ARG A 72 9.302 10.179 -6.085 1.00 1.00 H new ATOM 0 HG3 ARG A 72 10.356 11.386 -5.376 1.00 1.00 H new ATOM 0 HD2 ARG A 72 9.480 10.772 -3.102 1.00 1.00 H new ATOM 0 HD3 ARG A 72 8.503 9.519 -3.840 1.00 1.00 H new ATOM 0 HE ARG A 72 11.456 9.473 -4.254 1.00 1.00 H new ATOM 0 HH11 ARG A 72 8.516 8.047 -2.906 1.00 1.00 H new ATOM 0 HH12 ARG A 72 9.313 6.530 -2.476 1.00 1.00 H new ATOM 0 HH21 ARG A 72 12.472 7.533 -3.700 1.00 1.00 H new ATOM 0 HH22 ARG A 72 11.551 6.239 -2.925 1.00 1.00 H new ATOM 1082 N ALA A 73 10.354 14.606 -4.717 1.00 1.00 N ATOM 1083 CA ALA A 73 11.075 15.713 -5.336 1.00 1.00 C ATOM 1084 C ALA A 73 11.438 15.434 -6.793 1.00 1.00 C ATOM 1085 O ALA A 73 11.823 14.322 -7.151 1.00 1.00 O ATOM 1086 CB ALA A 73 12.315 16.059 -4.528 1.00 1.00 C ATOM 0 H ALA A 73 10.819 14.208 -3.901 1.00 1.00 H new ATOM 0 HA ALA A 73 10.403 16.571 -5.338 1.00 1.00 H new ATOM 0 HB1 ALA A 73 12.840 16.887 -5.004 1.00 1.00 H new ATOM 0 HB2 ALA A 73 12.023 16.348 -3.518 1.00 1.00 H new ATOM 0 HB3 ALA A 73 12.973 15.191 -4.481 1.00 1.00 H new ATOM 1092 N ALA A 74 11.310 16.464 -7.614 1.00 1.00 N ATOM 1093 CA ALA A 74 11.638 16.386 -9.027 1.00 1.00 C ATOM 1094 C ALA A 74 12.456 17.596 -9.432 1.00 1.00 C ATOM 1095 O ALA A 74 12.379 18.646 -8.797 1.00 1.00 O ATOM 1096 CB ALA A 74 10.361 16.331 -9.854 1.00 1.00 C ATOM 0 H ALA A 74 10.974 17.380 -7.317 1.00 1.00 H new ATOM 0 HA ALA A 74 12.220 15.482 -9.207 1.00 1.00 H new ATOM 0 HB1 ALA A 74 10.615 16.273 -10.912 1.00 1.00 H new ATOM 0 HB2 ALA A 74 9.782 15.452 -9.571 1.00 1.00 H new ATOM 0 HB3 ALA A 74 9.770 17.229 -9.672 1.00 1.00 H new ATOM 1102 N GLN A 75 13.310 17.437 -10.427 1.00 1.00 N ATOM 1103 CA GLN A 75 14.081 18.550 -10.937 1.00 1.00 C ATOM 1104 C GLN A 75 13.277 19.284 -11.999 1.00 1.00 C ATOM 1105 O GLN A 75 12.357 18.718 -12.593 1.00 1.00 O ATOM 1106 CB GLN A 75 15.402 18.038 -11.516 1.00 1.00 C ATOM 1107 CG GLN A 75 16.171 19.065 -12.336 1.00 1.00 C ATOM 1108 CD GLN A 75 17.531 18.559 -12.768 1.00 1.00 C ATOM 1109 OE1 GLN A 75 17.716 17.366 -13.010 1.00 1.00 O ATOM 1110 NE2 GLN A 75 18.500 19.458 -12.850 1.00 1.00 N ATOM 0 H GLN A 75 13.485 16.548 -10.896 1.00 1.00 H new ATOM 0 HA GLN A 75 14.303 19.245 -10.127 1.00 1.00 H new ATOM 0 HB2 GLN A 75 16.035 17.697 -10.697 1.00 1.00 H new ATOM 0 HB3 GLN A 75 15.197 17.170 -12.143 1.00 1.00 H new ATOM 0 HG2 GLN A 75 15.589 19.331 -13.218 1.00 1.00 H new ATOM 0 HG3 GLN A 75 16.295 19.975 -11.749 1.00 1.00 H new ATOM 0 HE21 GLN A 75 18.306 20.437 -12.641 1.00 1.00 H new ATOM 0 HE22 GLN A 75 19.440 19.171 -13.122 1.00 1.00 H new ATOM 1119 N VAL A 76 13.589 20.554 -12.192 1.00 1.00 N ATOM 1120 CA VAL A 76 12.897 21.363 -13.185 1.00 1.00 C ATOM 1121 C VAL A 76 13.223 20.868 -14.586 1.00 1.00 C ATOM 1122 O VAL A 76 14.362 20.955 -15.042 1.00 1.00 O ATOM 1123 CB VAL A 76 13.288 22.840 -13.082 1.00 1.00 C ATOM 1124 CG1 VAL A 76 12.359 23.712 -13.879 1.00 1.00 C ATOM 1125 CG2 VAL A 76 13.341 23.297 -11.635 1.00 1.00 C ATOM 0 H VAL A 76 14.316 21.049 -11.675 1.00 1.00 H new ATOM 0 HA VAL A 76 11.829 21.269 -12.991 1.00 1.00 H new ATOM 0 HB VAL A 76 14.287 22.939 -13.506 1.00 1.00 H new ATOM 0 HG11 VAL A 76 12.666 24.754 -13.783 1.00 1.00 H new ATOM 0 HG12 VAL A 76 12.395 23.418 -14.928 1.00 1.00 H new ATOM 0 HG13 VAL A 76 11.342 23.598 -13.505 1.00 1.00 H new ATOM 0 HG21 VAL A 76 13.621 24.350 -11.596 1.00 1.00 H new ATOM 0 HG22 VAL A 76 12.361 23.165 -11.176 1.00 1.00 H new ATOM 0 HG23 VAL A 76 14.078 22.705 -11.093 1.00 1.00 H new ATOM 1135 N GLY A 77 12.222 20.327 -15.244 1.00 1.00 N ATOM 1136 CA GLY A 77 12.395 19.813 -16.584 1.00 1.00 C ATOM 1137 C GLY A 77 11.440 20.461 -17.549 1.00 1.00 C ATOM 1138 O GLY A 77 10.757 21.427 -17.195 1.00 1.00 O ATOM 0 H GLY A 77 11.277 20.232 -14.872 1.00 1.00 H new ATOM 0 HA2 GLY A 77 13.420 19.987 -16.912 1.00 1.00 H new ATOM 0 HA3 GLY A 77 12.239 18.734 -16.584 1.00 1.00 H new ATOM 1142 N THR A 78 11.328 19.883 -18.728 1.00 1.00 N ATOM 1143 CA THR A 78 10.469 20.406 -19.771 1.00 1.00 C ATOM 1144 C THR A 78 9.025 20.524 -19.304 1.00 1.00 C ATOM 1145 O THR A 78 8.410 21.585 -19.401 1.00 1.00 O ATOM 1146 CB THR A 78 10.528 19.490 -20.994 1.00 1.00 C ATOM 1147 OG1 THR A 78 11.837 19.527 -21.588 1.00 1.00 O ATOM 1148 CG2 THR A 78 9.475 19.880 -22.012 1.00 1.00 C ATOM 0 H THR A 78 11.831 19.035 -18.990 1.00 1.00 H new ATOM 0 HA THR A 78 10.827 21.403 -20.027 1.00 1.00 H new ATOM 0 HB THR A 78 10.324 18.471 -20.665 1.00 1.00 H new ATOM 0 HG1 THR A 78 11.859 18.934 -22.368 1.00 1.00 H new ATOM 0 HG21 THR A 78 9.537 19.214 -22.873 1.00 1.00 H new ATOM 0 HG22 THR A 78 8.486 19.800 -21.561 1.00 1.00 H new ATOM 0 HG23 THR A 78 9.644 20.907 -22.335 1.00 1.00 H new ATOM 1156 N GLU A 79 8.517 19.435 -18.765 1.00 1.00 N ATOM 1157 CA GLU A 79 7.156 19.366 -18.262 1.00 1.00 C ATOM 1158 C GLU A 79 6.902 20.447 -17.209 1.00 1.00 C ATOM 1159 O GLU A 79 5.787 20.960 -17.083 1.00 1.00 O ATOM 1160 CB GLU A 79 6.920 17.993 -17.649 1.00 1.00 C ATOM 1161 CG GLU A 79 7.844 17.716 -16.481 1.00 1.00 C ATOM 1162 CD GLU A 79 9.261 17.389 -16.880 1.00 1.00 C ATOM 1163 OE1 GLU A 79 9.426 16.533 -17.767 1.00 1.00 O ATOM 1164 OE2 GLU A 79 10.200 17.970 -16.309 1.00 1.00 O ATOM 0 H GLU A 79 9.039 18.565 -18.662 1.00 1.00 H new ATOM 0 HA GLU A 79 6.469 19.531 -19.092 1.00 1.00 H new ATOM 0 HB2 GLU A 79 5.885 17.920 -17.315 1.00 1.00 H new ATOM 0 HB3 GLU A 79 7.064 17.228 -18.412 1.00 1.00 H new ATOM 0 HG2 GLU A 79 7.854 18.587 -15.826 1.00 1.00 H new ATOM 0 HG3 GLU A 79 7.440 16.886 -15.901 1.00 1.00 H new ATOM 1171 N HIS A 80 7.950 20.796 -16.464 1.00 1.00 N ATOM 1172 CA HIS A 80 7.843 21.825 -15.432 1.00 1.00 C ATOM 1173 C HIS A 80 7.792 23.201 -16.069 1.00 1.00 C ATOM 1174 O HIS A 80 6.977 24.036 -15.698 1.00 1.00 O ATOM 1175 CB HIS A 80 9.000 21.740 -14.425 1.00 1.00 C ATOM 1176 CG HIS A 80 8.981 20.474 -13.623 1.00 1.00 C ATOM 1177 ND1 HIS A 80 9.531 19.285 -14.057 1.00 1.00 N ATOM 1178 CD2 HIS A 80 8.459 20.217 -12.401 1.00 1.00 C ATOM 1179 CE1 HIS A 80 9.353 18.360 -13.138 1.00 1.00 C ATOM 1180 NE2 HIS A 80 8.705 18.896 -12.121 1.00 1.00 N ATOM 0 H HIS A 80 8.878 20.383 -16.555 1.00 1.00 H new ATOM 0 HA HIS A 80 6.917 21.653 -14.883 1.00 1.00 H new ATOM 0 HB2 HIS A 80 9.947 21.811 -14.960 1.00 1.00 H new ATOM 0 HB3 HIS A 80 8.951 22.594 -13.749 1.00 1.00 H new ATOM 0 HD1 HIS A 80 10.002 19.145 -14.951 1.00 1.00 H new ATOM 0 HD2 HIS A 80 7.944 20.921 -11.764 1.00 1.00 H new ATOM 0 HE1 HIS A 80 9.682 17.334 -13.205 1.00 1.00 H new ATOM 1189 N LEU A 81 8.637 23.404 -17.066 1.00 1.00 N ATOM 1190 CA LEU A 81 8.687 24.664 -17.799 1.00 1.00 C ATOM 1191 C LEU A 81 7.413 24.865 -18.611 1.00 1.00 C ATOM 1192 O LEU A 81 7.105 25.976 -19.034 1.00 1.00 O ATOM 1193 CB LEU A 81 9.898 24.676 -18.733 1.00 1.00 C ATOM 1194 CG LEU A 81 11.233 24.339 -18.070 1.00 1.00 C ATOM 1195 CD1 LEU A 81 12.285 24.034 -19.122 1.00 1.00 C ATOM 1196 CD2 LEU A 81 11.689 25.477 -17.175 1.00 1.00 C ATOM 0 H LEU A 81 9.306 22.706 -17.391 1.00 1.00 H new ATOM 0 HA LEU A 81 8.775 25.478 -17.079 1.00 1.00 H new ATOM 0 HB2 LEU A 81 9.721 23.965 -19.540 1.00 1.00 H new ATOM 0 HB3 LEU A 81 9.976 25.663 -19.189 1.00 1.00 H new ATOM 0 HG LEU A 81 11.095 23.452 -17.451 1.00 1.00 H new ATOM 0 HD11 LEU A 81 13.230 23.796 -18.633 1.00 1.00 H new ATOM 0 HD12 LEU A 81 11.963 23.184 -19.723 1.00 1.00 H new ATOM 0 HD13 LEU A 81 12.418 24.903 -19.766 1.00 1.00 H new ATOM 0 HD21 LEU A 81 12.641 25.217 -16.713 1.00 1.00 H new ATOM 0 HD22 LEU A 81 11.810 26.382 -17.770 1.00 1.00 H new ATOM 0 HD23 LEU A 81 10.944 25.650 -16.399 1.00 1.00 H new ATOM 1208 N ALA A 82 6.693 23.776 -18.835 1.00 1.00 N ATOM 1209 CA ALA A 82 5.466 23.812 -19.613 1.00 1.00 C ATOM 1210 C ALA A 82 4.279 24.161 -18.734 1.00 1.00 C ATOM 1211 O ALA A 82 3.137 24.186 -19.192 1.00 1.00 O ATOM 1212 CB ALA A 82 5.239 22.467 -20.278 1.00 1.00 C ATOM 0 H ALA A 82 6.941 22.850 -18.486 1.00 1.00 H new ATOM 0 HA ALA A 82 5.565 24.582 -20.378 1.00 1.00 H new ATOM 0 HB1 ALA A 82 4.318 22.500 -20.860 1.00 1.00 H new ATOM 0 HB2 ALA A 82 6.077 22.241 -20.937 1.00 1.00 H new ATOM 0 HB3 ALA A 82 5.159 21.693 -19.515 1.00 1.00 H new ATOM 1218 N ALA A 83 4.540 24.308 -17.443 1.00 1.00 N ATOM 1219 CA ALA A 83 3.493 24.659 -16.494 1.00 1.00 C ATOM 1220 C ALA A 83 2.853 26.004 -16.838 1.00 1.00 C ATOM 1221 O ALA A 83 3.475 26.863 -17.466 1.00 1.00 O ATOM 1222 CB ALA A 83 4.048 24.686 -15.080 1.00 1.00 C ATOM 0 H ALA A 83 5.465 24.190 -17.029 1.00 1.00 H new ATOM 0 HA ALA A 83 2.718 23.895 -16.557 1.00 1.00 H new ATOM 0 HB1 ALA A 83 3.253 24.950 -14.382 1.00 1.00 H new ATOM 0 HB2 ALA A 83 4.443 23.702 -14.825 1.00 1.00 H new ATOM 0 HB3 ALA A 83 4.847 25.425 -15.017 1.00 1.00 H new ATOM 1228 N ASP A 84 1.609 26.192 -16.402 1.00 1.00 N ATOM 1229 CA ASP A 84 0.893 27.433 -16.659 1.00 1.00 C ATOM 1230 C ASP A 84 1.346 28.502 -15.682 1.00 1.00 C ATOM 1231 O ASP A 84 1.225 29.697 -15.941 1.00 1.00 O ATOM 1232 CB ASP A 84 -0.621 27.241 -16.538 1.00 1.00 C ATOM 1233 CG ASP A 84 -1.376 28.393 -17.174 1.00 1.00 C ATOM 1234 OD1 ASP A 84 -1.183 28.626 -18.390 1.00 1.00 O ATOM 1235 OD2 ASP A 84 -2.158 29.059 -16.464 1.00 1.00 O ATOM 0 H ASP A 84 1.080 25.501 -15.871 1.00 1.00 H new ATOM 0 HA ASP A 84 1.118 27.743 -17.679 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -0.910 26.306 -17.017 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -0.896 27.159 -15.487 1.00 1.00 H new ATOM 1240 N LEU A 85 1.988 28.054 -14.618 1.00 1.00 N ATOM 1241 CA LEU A 85 2.434 28.940 -13.570 1.00 1.00 C ATOM 1242 C LEU A 85 3.601 28.305 -12.857 1.00 1.00 C ATOM 1243 O LEU A 85 3.497 27.203 -12.322 1.00 1.00 O ATOM 1244 CB LEU A 85 1.299 29.180 -12.575 1.00 1.00 C ATOM 1245 CG LEU A 85 1.425 30.409 -11.666 1.00 1.00 C ATOM 1246 CD1 LEU A 85 0.427 30.302 -10.553 1.00 1.00 C ATOM 1247 CD2 LEU A 85 2.809 30.551 -11.075 1.00 1.00 C ATOM 0 H LEU A 85 2.211 27.071 -14.461 1.00 1.00 H new ATOM 0 HA LEU A 85 2.736 29.894 -14.002 1.00 1.00 H new ATOM 0 HB2 LEU A 85 0.368 29.266 -13.136 1.00 1.00 H new ATOM 0 HB3 LEU A 85 1.210 28.297 -11.942 1.00 1.00 H new ATOM 0 HG LEU A 85 1.235 31.291 -12.278 1.00 1.00 H new ATOM 0 HD11 LEU A 85 0.512 31.173 -9.903 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -0.579 30.257 -10.970 1.00 1.00 H new ATOM 0 HD13 LEU A 85 0.622 29.398 -9.975 1.00 1.00 H new ATOM 0 HD21 LEU A 85 2.844 31.436 -10.440 1.00 1.00 H new ATOM 0 HD22 LEU A 85 3.043 29.668 -10.480 1.00 1.00 H new ATOM 0 HD23 LEU A 85 3.539 30.651 -11.878 1.00 1.00 H new ATOM 1259 N LEU A 86 4.730 28.962 -12.928 1.00 1.00 N ATOM 1260 CA LEU A 86 5.901 28.485 -12.271 1.00 1.00 C ATOM 1261 C LEU A 86 6.176 29.328 -11.034 1.00 1.00 C ATOM 1262 O LEU A 86 6.656 30.450 -11.127 1.00 1.00 O ATOM 1263 CB LEU A 86 7.047 28.480 -13.265 1.00 1.00 C ATOM 1264 CG LEU A 86 6.839 27.532 -14.456 1.00 1.00 C ATOM 1265 CD1 LEU A 86 5.766 28.021 -15.409 1.00 1.00 C ATOM 1266 CD2 LEU A 86 8.124 27.368 -15.200 1.00 1.00 C ATOM 0 H LEU A 86 4.855 29.835 -13.441 1.00 1.00 H new ATOM 0 HA LEU A 86 5.769 27.462 -11.920 1.00 1.00 H new ATOM 0 HB2 LEU A 86 7.192 29.493 -13.641 1.00 1.00 H new ATOM 0 HB3 LEU A 86 7.963 28.199 -12.746 1.00 1.00 H new ATOM 0 HG LEU A 86 6.507 26.576 -14.051 1.00 1.00 H new ATOM 0 HD11 LEU A 86 5.660 27.314 -16.232 1.00 1.00 H new ATOM 0 HD12 LEU A 86 4.818 28.104 -14.878 1.00 1.00 H new ATOM 0 HD13 LEU A 86 6.047 28.997 -15.804 1.00 1.00 H new ATOM 0 HD21 LEU A 86 7.972 26.695 -16.044 1.00 1.00 H new ATOM 0 HD22 LEU A 86 8.459 28.339 -15.566 1.00 1.00 H new ATOM 0 HD23 LEU A 86 8.879 26.951 -14.534 1.00 1.00 H new ATOM 1278 N VAL A 87 5.863 28.757 -9.882 1.00 1.00 N ATOM 1279 CA VAL A 87 5.985 29.455 -8.607 1.00 1.00 C ATOM 1280 C VAL A 87 7.404 29.354 -8.054 1.00 1.00 C ATOM 1281 O VAL A 87 7.777 28.384 -7.402 1.00 1.00 O ATOM 1282 CB VAL A 87 4.982 28.912 -7.567 1.00 1.00 C ATOM 1283 CG1 VAL A 87 5.244 29.499 -6.195 1.00 1.00 C ATOM 1284 CG2 VAL A 87 3.561 29.222 -7.979 1.00 1.00 C ATOM 0 H VAL A 87 5.518 27.800 -9.802 1.00 1.00 H new ATOM 0 HA VAL A 87 5.755 30.504 -8.796 1.00 1.00 H new ATOM 0 HB VAL A 87 5.116 27.831 -7.520 1.00 1.00 H new ATOM 0 HG11 VAL A 87 4.522 29.098 -5.484 1.00 1.00 H new ATOM 0 HG12 VAL A 87 6.253 29.238 -5.874 1.00 1.00 H new ATOM 0 HG13 VAL A 87 5.146 30.584 -6.239 1.00 1.00 H new ATOM 0 HG21 VAL A 87 2.872 28.830 -7.231 1.00 1.00 H new ATOM 0 HG22 VAL A 87 3.433 30.301 -8.060 1.00 1.00 H new ATOM 0 HG23 VAL A 87 3.352 28.758 -8.943 1.00 1.00 H new ATOM 1294 N ALA A 88 8.202 30.341 -8.382 1.00 1.00 N ATOM 1295 CA ALA A 88 9.568 30.394 -7.911 1.00 1.00 C ATOM 1296 C ALA A 88 9.629 30.939 -6.490 1.00 1.00 C ATOM 1297 O ALA A 88 8.821 31.785 -6.097 1.00 1.00 O ATOM 1298 CB ALA A 88 10.425 31.213 -8.847 1.00 1.00 C ATOM 0 H ALA A 88 7.929 31.123 -8.977 1.00 1.00 H new ATOM 0 HA ALA A 88 9.965 29.379 -7.896 1.00 1.00 H new ATOM 0 HB1 ALA A 88 11.449 31.240 -8.474 1.00 1.00 H new ATOM 0 HB2 ALA A 88 10.412 30.763 -9.840 1.00 1.00 H new ATOM 0 HB3 ALA A 88 10.033 32.229 -8.904 1.00 1.00 H new ATOM 1304 N LEU A 89 10.576 30.434 -5.714 1.00 1.00 N ATOM 1305 CA LEU A 89 10.758 30.882 -4.344 1.00 1.00 C ATOM 1306 C LEU A 89 11.866 31.923 -4.281 1.00 1.00 C ATOM 1307 O LEU A 89 12.122 32.520 -3.242 1.00 1.00 O ATOM 1308 CB LEU A 89 11.078 29.693 -3.430 1.00 1.00 C ATOM 1309 CG LEU A 89 9.865 28.931 -2.882 1.00 1.00 C ATOM 1310 CD1 LEU A 89 8.949 29.867 -2.115 1.00 1.00 C ATOM 1311 CD2 LEU A 89 9.105 28.235 -3.998 1.00 1.00 C ATOM 0 H LEU A 89 11.232 29.712 -6.012 1.00 1.00 H new ATOM 0 HA LEU A 89 9.832 31.338 -3.995 1.00 1.00 H new ATOM 0 HB2 LEU A 89 11.705 28.993 -3.982 1.00 1.00 H new ATOM 0 HB3 LEU A 89 11.668 30.054 -2.588 1.00 1.00 H new ATOM 0 HG LEU A 89 10.230 28.166 -2.197 1.00 1.00 H new ATOM 0 HD11 LEU A 89 8.094 29.308 -1.734 1.00 1.00 H new ATOM 0 HD12 LEU A 89 9.495 30.308 -1.281 1.00 1.00 H new ATOM 0 HD13 LEU A 89 8.599 30.658 -2.778 1.00 1.00 H new ATOM 0 HD21 LEU A 89 8.251 27.703 -3.580 1.00 1.00 H new ATOM 0 HD22 LEU A 89 8.755 28.976 -4.717 1.00 1.00 H new ATOM 0 HD23 LEU A 89 9.764 27.526 -4.500 1.00 1.00 H new ATOM 1323 N ASP A 90 12.538 32.098 -5.407 1.00 1.00 N ATOM 1324 CA ASP A 90 13.602 33.079 -5.523 1.00 1.00 C ATOM 1325 C ASP A 90 13.728 33.548 -6.971 1.00 1.00 C ATOM 1326 O ASP A 90 13.380 32.816 -7.905 1.00 1.00 O ATOM 1327 CB ASP A 90 14.921 32.498 -4.994 1.00 1.00 C ATOM 1328 CG ASP A 90 16.031 32.518 -6.018 1.00 1.00 C ATOM 1329 OD1 ASP A 90 16.129 31.553 -6.802 1.00 1.00 O ATOM 1330 OD2 ASP A 90 16.789 33.501 -6.062 1.00 1.00 O ATOM 0 H ASP A 90 12.362 31.568 -6.260 1.00 1.00 H new ATOM 0 HA ASP A 90 13.359 33.949 -4.913 1.00 1.00 H new ATOM 0 HB2 ASP A 90 15.234 33.064 -4.117 1.00 1.00 H new ATOM 0 HB3 ASP A 90 14.754 31.471 -4.668 1.00 1.00 H new ATOM 1335 N ARG A 91 14.219 34.772 -7.137 1.00 1.00 N ATOM 1336 CA ARG A 91 14.344 35.398 -8.454 1.00 1.00 C ATOM 1337 C ARG A 91 15.328 34.665 -9.366 1.00 1.00 C ATOM 1338 O ARG A 91 15.252 34.781 -10.589 1.00 1.00 O ATOM 1339 CB ARG A 91 14.748 36.865 -8.329 1.00 1.00 C ATOM 1340 CG ARG A 91 16.010 37.118 -7.520 1.00 1.00 C ATOM 1341 CD ARG A 91 16.404 38.578 -7.624 1.00 1.00 C ATOM 1342 NE ARG A 91 17.725 38.864 -7.072 1.00 1.00 N ATOM 1343 CZ ARG A 91 18.531 39.807 -7.563 1.00 1.00 C ATOM 1344 NH1 ARG A 91 18.168 40.505 -8.634 1.00 1.00 N ATOM 1345 NH2 ARG A 91 19.699 40.050 -6.988 1.00 1.00 N ATOM 0 H ARG A 91 14.541 35.358 -6.367 1.00 1.00 H new ATOM 0 HA ARG A 91 13.359 35.334 -8.915 1.00 1.00 H new ATOM 0 HB2 ARG A 91 14.888 37.274 -9.330 1.00 1.00 H new ATOM 0 HB3 ARG A 91 13.925 37.415 -7.872 1.00 1.00 H new ATOM 0 HG2 ARG A 91 15.844 36.850 -6.477 1.00 1.00 H new ATOM 0 HG3 ARG A 91 16.820 36.487 -7.886 1.00 1.00 H new ATOM 0 HD2 ARG A 91 16.384 38.878 -8.672 1.00 1.00 H new ATOM 0 HD3 ARG A 91 15.662 39.184 -7.104 1.00 1.00 H new ATOM 0 HE ARG A 91 18.047 38.317 -6.273 1.00 1.00 H new ATOM 0 HH11 ARG A 91 17.271 40.320 -9.083 1.00 1.00 H new ATOM 0 HH12 ARG A 91 18.786 41.225 -9.007 1.00 1.00 H new ATOM 0 HH21 ARG A 91 19.985 39.516 -6.167 1.00 1.00 H new ATOM 0 HH22 ARG A 91 20.313 40.772 -7.366 1.00 1.00 H new ATOM 1359 N ASN A 92 16.206 33.868 -8.780 1.00 1.00 N ATOM 1360 CA ASN A 92 17.162 33.107 -9.571 1.00 1.00 C ATOM 1361 C ASN A 92 16.456 31.932 -10.221 1.00 1.00 C ATOM 1362 O ASN A 92 16.566 31.728 -11.428 1.00 1.00 O ATOM 1363 CB ASN A 92 18.337 32.621 -8.720 1.00 1.00 C ATOM 1364 CG ASN A 92 19.352 33.712 -8.434 1.00 1.00 C ATOM 1365 OD1 ASN A 92 19.518 34.627 -9.375 1.00 1.00 O flip ATOM 1366 ND2 ASN A 92 19.999 33.723 -7.386 1.00 1.00 N flip ATOM 0 H ASN A 92 16.278 33.731 -7.772 1.00 1.00 H new ATOM 0 HA ASN A 92 17.569 33.761 -10.342 1.00 1.00 H new ATOM 0 HB2 ASN A 92 17.958 32.229 -7.776 1.00 1.00 H new ATOM 0 HB3 ASN A 92 18.833 31.796 -9.232 1.00 1.00 H new ATOM 0 HD21 ASN A 92 19.843 33.000 -6.683 1.00 1.00 H new ATOM 0 HD22 ASN A 92 20.690 34.455 -7.221 1.00 1.00 H new ATOM 1373 N HIS A 93 15.691 31.189 -9.421 1.00 1.00 N ATOM 1374 CA HIS A 93 14.909 30.067 -9.933 1.00 1.00 C ATOM 1375 C HIS A 93 13.988 30.551 -11.046 1.00 1.00 C ATOM 1376 O HIS A 93 13.948 29.961 -12.121 1.00 1.00 O ATOM 1377 CB HIS A 93 14.063 29.404 -8.832 1.00 1.00 C ATOM 1378 CG HIS A 93 14.818 29.064 -7.587 1.00 1.00 C ATOM 1379 ND1 HIS A 93 14.315 29.296 -6.326 1.00 1.00 N ATOM 1380 CD2 HIS A 93 16.034 28.496 -7.408 1.00 1.00 C ATOM 1381 CE1 HIS A 93 15.187 28.889 -5.427 1.00 1.00 C ATOM 1382 NE2 HIS A 93 16.239 28.398 -6.052 1.00 1.00 N ATOM 0 H HIS A 93 15.597 31.345 -8.417 1.00 1.00 H new ATOM 0 HA HIS A 93 15.610 29.324 -10.313 1.00 1.00 H new ATOM 0 HB2 HIS A 93 13.241 30.071 -8.572 1.00 1.00 H new ATOM 0 HB3 HIS A 93 13.619 28.493 -9.232 1.00 1.00 H new ATOM 0 HD1 HIS A 93 13.409 29.717 -6.121 1.00 1.00 H new ATOM 0 HD2 HIS A 93 16.715 28.179 -8.184 1.00 1.00 H new ATOM 0 HE1 HIS A 93 15.061 28.948 -4.356 1.00 1.00 H new ATOM 1391 N ALA A 94 13.289 31.659 -10.795 1.00 1.00 N ATOM 1392 CA ALA A 94 12.373 32.235 -11.775 1.00 1.00 C ATOM 1393 C ALA A 94 13.104 32.579 -13.069 1.00 1.00 C ATOM 1394 O ALA A 94 12.611 32.303 -14.166 1.00 1.00 O ATOM 1395 CB ALA A 94 11.686 33.471 -11.205 1.00 1.00 C ATOM 0 H ALA A 94 13.342 32.176 -9.917 1.00 1.00 H new ATOM 0 HA ALA A 94 11.611 31.490 -12.004 1.00 1.00 H new ATOM 0 HB1 ALA A 94 11.007 33.886 -11.950 1.00 1.00 H new ATOM 0 HB2 ALA A 94 11.122 33.195 -10.314 1.00 1.00 H new ATOM 0 HB3 ALA A 94 12.437 34.216 -10.943 1.00 1.00 H new ATOM 1401 N ARG A 95 14.279 33.187 -12.934 1.00 1.00 N ATOM 1402 CA ARG A 95 15.089 33.553 -14.088 1.00 1.00 C ATOM 1403 C ARG A 95 15.459 32.333 -14.920 1.00 1.00 C ATOM 1404 O ARG A 95 15.378 32.371 -16.149 1.00 1.00 O ATOM 1405 CB ARG A 95 16.355 34.293 -13.648 1.00 1.00 C ATOM 1406 CG ARG A 95 17.554 34.043 -14.555 1.00 1.00 C ATOM 1407 CD ARG A 95 18.620 35.105 -14.381 1.00 1.00 C ATOM 1408 NE ARG A 95 19.935 34.641 -14.810 1.00 1.00 N ATOM 1409 CZ ARG A 95 20.547 35.045 -15.923 1.00 1.00 C ATOM 1410 NH1 ARG A 95 19.947 35.901 -16.745 1.00 1.00 N ATOM 1411 NH2 ARG A 95 21.755 34.585 -16.212 1.00 1.00 N ATOM 0 H ARG A 95 14.691 33.436 -12.035 1.00 1.00 H new ATOM 0 HA ARG A 95 14.489 34.217 -14.710 1.00 1.00 H new ATOM 0 HB2 ARG A 95 16.149 35.363 -13.619 1.00 1.00 H new ATOM 0 HB3 ARG A 95 16.609 33.990 -12.632 1.00 1.00 H new ATOM 0 HG2 ARG A 95 17.978 33.063 -14.336 1.00 1.00 H new ATOM 0 HG3 ARG A 95 17.226 34.023 -15.594 1.00 1.00 H new ATOM 0 HD2 ARG A 95 18.345 35.991 -14.953 1.00 1.00 H new ATOM 0 HD3 ARG A 95 18.666 35.403 -13.334 1.00 1.00 H new ATOM 0 HE ARG A 95 20.417 33.963 -14.220 1.00 1.00 H new ATOM 0 HH11 ARG A 95 19.015 36.251 -16.525 1.00 1.00 H new ATOM 0 HH12 ARG A 95 20.419 36.207 -17.596 1.00 1.00 H new ATOM 0 HH21 ARG A 95 22.213 33.924 -15.584 1.00 1.00 H new ATOM 0 HH22 ARG A 95 22.227 34.891 -17.063 1.00 1.00 H new ATOM 1425 N LEU A 96 15.815 31.244 -14.251 1.00 1.00 N ATOM 1426 CA LEU A 96 16.237 30.036 -14.940 1.00 1.00 C ATOM 1427 C LEU A 96 15.085 29.484 -15.759 1.00 1.00 C ATOM 1428 O LEU A 96 15.200 29.316 -16.961 1.00 1.00 O ATOM 1429 CB LEU A 96 16.727 28.981 -13.940 1.00 1.00 C ATOM 1430 CG LEU A 96 17.805 29.463 -12.966 1.00 1.00 C ATOM 1431 CD1 LEU A 96 18.277 28.328 -12.076 1.00 1.00 C ATOM 1432 CD2 LEU A 96 18.979 30.074 -13.714 1.00 1.00 C ATOM 0 H LEU A 96 15.819 31.174 -13.233 1.00 1.00 H new ATOM 0 HA LEU A 96 17.064 30.286 -15.604 1.00 1.00 H new ATOM 0 HB2 LEU A 96 15.873 28.623 -13.365 1.00 1.00 H new ATOM 0 HB3 LEU A 96 17.116 28.128 -14.496 1.00 1.00 H new ATOM 0 HG LEU A 96 17.363 30.234 -12.334 1.00 1.00 H new ATOM 0 HD11 LEU A 96 19.043 28.696 -11.393 1.00 1.00 H new ATOM 0 HD12 LEU A 96 17.435 27.941 -11.503 1.00 1.00 H new ATOM 0 HD13 LEU A 96 18.693 27.531 -12.692 1.00 1.00 H new ATOM 0 HD21 LEU A 96 19.731 30.409 -13.000 1.00 1.00 H new ATOM 0 HD22 LEU A 96 19.416 29.328 -14.378 1.00 1.00 H new ATOM 0 HD23 LEU A 96 18.633 30.924 -14.302 1.00 1.00 H new ATOM 1444 N LEU A 97 13.936 29.368 -15.113 1.00 1.00 N ATOM 1445 CA LEU A 97 12.733 28.821 -15.740 1.00 1.00 C ATOM 1446 C LEU A 97 12.367 29.578 -17.011 1.00 1.00 C ATOM 1447 O LEU A 97 12.246 28.988 -18.084 1.00 1.00 O ATOM 1448 CB LEU A 97 11.554 28.911 -14.771 1.00 1.00 C ATOM 1449 CG LEU A 97 11.826 28.407 -13.360 1.00 1.00 C ATOM 1450 CD1 LEU A 97 10.631 28.676 -12.468 1.00 1.00 C ATOM 1451 CD2 LEU A 97 12.161 26.929 -13.377 1.00 1.00 C ATOM 0 H LEU A 97 13.806 29.648 -14.141 1.00 1.00 H new ATOM 0 HA LEU A 97 12.944 27.783 -15.995 1.00 1.00 H new ATOM 0 HB2 LEU A 97 11.234 29.951 -14.711 1.00 1.00 H new ATOM 0 HB3 LEU A 97 10.721 28.344 -15.186 1.00 1.00 H new ATOM 0 HG LEU A 97 12.685 28.944 -12.958 1.00 1.00 H new ATOM 0 HD11 LEU A 97 10.838 28.311 -11.462 1.00 1.00 H new ATOM 0 HD12 LEU A 97 10.438 29.748 -12.432 1.00 1.00 H new ATOM 0 HD13 LEU A 97 9.756 28.163 -12.867 1.00 1.00 H new ATOM 0 HD21 LEU A 97 12.352 26.588 -12.360 1.00 1.00 H new ATOM 0 HD22 LEU A 97 11.324 26.371 -13.796 1.00 1.00 H new ATOM 0 HD23 LEU A 97 13.049 26.764 -13.988 1.00 1.00 H new ATOM 1463 N ARG A 98 12.203 30.887 -16.886 1.00 1.00 N ATOM 1464 CA ARG A 98 11.780 31.713 -18.009 1.00 1.00 C ATOM 1465 C ARG A 98 12.784 31.651 -19.162 1.00 1.00 C ATOM 1466 O ARG A 98 12.393 31.510 -20.316 1.00 1.00 O ATOM 1467 CB ARG A 98 11.557 33.155 -17.550 1.00 1.00 C ATOM 1468 CG ARG A 98 12.822 33.856 -17.098 1.00 1.00 C ATOM 1469 CD ARG A 98 12.518 35.019 -16.179 1.00 1.00 C ATOM 1470 NE ARG A 98 13.621 35.980 -16.159 1.00 1.00 N ATOM 1471 CZ ARG A 98 13.764 36.947 -15.251 1.00 1.00 C ATOM 1472 NH1 ARG A 98 12.860 37.115 -14.295 1.00 1.00 N ATOM 1473 NH2 ARG A 98 14.824 37.745 -15.295 1.00 1.00 N ATOM 0 H ARG A 98 12.356 31.401 -16.018 1.00 1.00 H new ATOM 0 HA ARG A 98 10.836 31.318 -18.383 1.00 1.00 H new ATOM 0 HB2 ARG A 98 11.111 33.722 -18.367 1.00 1.00 H new ATOM 0 HB3 ARG A 98 10.838 33.158 -16.731 1.00 1.00 H new ATOM 0 HG2 ARG A 98 13.468 33.145 -16.584 1.00 1.00 H new ATOM 0 HG3 ARG A 98 13.371 34.214 -17.969 1.00 1.00 H new ATOM 0 HD2 ARG A 98 11.605 35.516 -16.507 1.00 1.00 H new ATOM 0 HD3 ARG A 98 12.335 34.650 -15.170 1.00 1.00 H new ATOM 0 HE ARG A 98 14.329 35.906 -16.889 1.00 1.00 H new ATOM 0 HH11 ARG A 98 12.046 36.502 -14.249 1.00 1.00 H new ATOM 0 HH12 ARG A 98 12.979 37.857 -13.606 1.00 1.00 H new ATOM 0 HH21 ARG A 98 15.528 37.618 -16.022 1.00 1.00 H new ATOM 0 HH22 ARG A 98 14.935 38.485 -14.601 1.00 1.00 H new ATOM 1487 N GLN A 99 14.075 31.726 -18.849 1.00 1.00 N ATOM 1488 CA GLN A 99 15.104 31.668 -19.881 1.00 1.00 C ATOM 1489 C GLN A 99 15.161 30.268 -20.493 1.00 1.00 C ATOM 1490 O GLN A 99 15.617 30.085 -21.622 1.00 1.00 O ATOM 1491 CB GLN A 99 16.469 32.098 -19.310 1.00 1.00 C ATOM 1492 CG GLN A 99 17.143 31.079 -18.401 1.00 1.00 C ATOM 1493 CD GLN A 99 18.232 30.283 -19.102 1.00 1.00 C ATOM 1494 OE1 GLN A 99 18.191 30.072 -20.313 1.00 1.00 O ATOM 1495 NE2 GLN A 99 19.210 29.822 -18.340 1.00 1.00 N ATOM 0 H GLN A 99 14.430 31.826 -17.898 1.00 1.00 H new ATOM 0 HA GLN A 99 14.849 32.368 -20.676 1.00 1.00 H new ATOM 0 HB2 GLN A 99 17.139 32.319 -20.141 1.00 1.00 H new ATOM 0 HB3 GLN A 99 16.336 33.025 -18.753 1.00 1.00 H new ATOM 0 HG2 GLN A 99 17.574 31.595 -17.543 1.00 1.00 H new ATOM 0 HG3 GLN A 99 16.390 30.392 -18.015 1.00 1.00 H new ATOM 0 HE21 GLN A 99 19.211 30.017 -17.339 1.00 1.00 H new ATOM 0 HE22 GLN A 99 19.963 29.272 -18.754 1.00 1.00 H new ATOM 1504 N LEU A 100 14.653 29.294 -19.746 1.00 1.00 N ATOM 1505 CA LEU A 100 14.639 27.907 -20.183 1.00 1.00 C ATOM 1506 C LEU A 100 13.516 27.634 -21.181 1.00 1.00 C ATOM 1507 O LEU A 100 13.450 26.548 -21.756 1.00 1.00 O ATOM 1508 CB LEU A 100 14.522 26.964 -18.982 1.00 1.00 C ATOM 1509 CG LEU A 100 15.780 26.847 -18.116 1.00 1.00 C ATOM 1510 CD1 LEU A 100 15.739 25.579 -17.280 1.00 1.00 C ATOM 1511 CD2 LEU A 100 17.038 26.905 -18.973 1.00 1.00 C ATOM 0 H LEU A 100 14.242 29.445 -18.825 1.00 1.00 H new ATOM 0 HA LEU A 100 15.585 27.719 -20.691 1.00 1.00 H new ATOM 0 HB2 LEU A 100 13.699 27.303 -18.354 1.00 1.00 H new ATOM 0 HB3 LEU A 100 14.257 25.971 -19.345 1.00 1.00 H new ATOM 0 HG LEU A 100 15.806 27.697 -17.434 1.00 1.00 H new ATOM 0 HD11 LEU A 100 16.641 25.515 -16.672 1.00 1.00 H new ATOM 0 HD12 LEU A 100 14.864 25.600 -16.630 1.00 1.00 H new ATOM 0 HD13 LEU A 100 15.682 24.711 -17.937 1.00 1.00 H new ATOM 0 HD21 LEU A 100 17.917 26.820 -18.335 1.00 1.00 H new ATOM 0 HD22 LEU A 100 17.029 26.083 -19.689 1.00 1.00 H new ATOM 0 HD23 LEU A 100 17.069 27.853 -19.509 1.00 1.00 H new ATOM 1523 N GLY A 101 12.635 28.607 -21.387 1.00 1.00 N ATOM 1524 CA GLY A 101 11.552 28.418 -22.334 1.00 1.00 C ATOM 1525 C GLY A 101 10.288 29.149 -21.947 1.00 1.00 C ATOM 1526 O GLY A 101 9.480 29.514 -22.800 1.00 1.00 O ATOM 0 H GLY A 101 12.650 29.514 -20.921 1.00 1.00 H new ATOM 0 HA2 GLY A 101 11.875 28.759 -23.318 1.00 1.00 H new ATOM 0 HA3 GLY A 101 11.336 27.353 -22.421 1.00 1.00 H new ATOM 1530 N VAL A 102 10.087 29.285 -20.652 1.00 1.00 N ATOM 1531 CA VAL A 102 8.902 29.935 -20.109 1.00 1.00 C ATOM 1532 C VAL A 102 8.982 31.460 -20.268 1.00 1.00 C ATOM 1533 O VAL A 102 9.684 31.978 -21.138 1.00 1.00 O ATOM 1534 CB VAL A 102 8.700 29.586 -18.621 1.00 1.00 C ATOM 1535 CG1 VAL A 102 7.234 29.635 -18.241 1.00 1.00 C ATOM 1536 CG2 VAL A 102 9.273 28.227 -18.295 1.00 1.00 C ATOM 0 H VAL A 102 10.738 28.949 -19.942 1.00 1.00 H new ATOM 0 HA VAL A 102 8.049 29.563 -20.677 1.00 1.00 H new ATOM 0 HB VAL A 102 9.235 30.336 -18.038 1.00 1.00 H new ATOM 0 HG11 VAL A 102 7.123 29.384 -17.186 1.00 1.00 H new ATOM 0 HG12 VAL A 102 6.845 30.638 -18.419 1.00 1.00 H new ATOM 0 HG13 VAL A 102 6.677 28.918 -18.845 1.00 1.00 H new ATOM 0 HG21 VAL A 102 9.115 28.009 -17.239 1.00 1.00 H new ATOM 0 HG22 VAL A 102 8.777 27.468 -18.900 1.00 1.00 H new ATOM 0 HG23 VAL A 102 10.341 28.221 -18.511 1.00 1.00 H new ATOM 1546 N GLU A 103 8.302 32.164 -19.376 1.00 1.00 N ATOM 1547 CA GLU A 103 8.233 33.618 -19.399 1.00 1.00 C ATOM 1548 C GLU A 103 7.722 34.100 -18.053 1.00 1.00 C ATOM 1549 O GLU A 103 7.157 33.317 -17.286 1.00 1.00 O ATOM 1550 CB GLU A 103 7.285 34.093 -20.507 1.00 1.00 C ATOM 1551 CG GLU A 103 5.842 33.681 -20.281 1.00 1.00 C ATOM 1552 CD GLU A 103 4.918 34.090 -21.411 1.00 1.00 C ATOM 1553 OE1 GLU A 103 4.686 35.310 -21.582 1.00 1.00 O ATOM 1554 OE2 GLU A 103 4.402 33.198 -22.114 1.00 1.00 O ATOM 0 H GLU A 103 7.779 31.740 -18.610 1.00 1.00 H new ATOM 0 HA GLU A 103 9.225 34.024 -19.596 1.00 1.00 H new ATOM 0 HB2 GLU A 103 7.338 35.179 -20.580 1.00 1.00 H new ATOM 0 HB3 GLU A 103 7.624 33.692 -21.462 1.00 1.00 H new ATOM 0 HG2 GLU A 103 5.796 32.599 -20.156 1.00 1.00 H new ATOM 0 HG3 GLU A 103 5.486 34.125 -19.351 1.00 1.00 H new ATOM 1561 N ALA A 104 7.892 35.387 -17.780 1.00 1.00 N ATOM 1562 CA ALA A 104 7.533 35.943 -16.484 1.00 1.00 C ATOM 1563 C ALA A 104 6.023 35.924 -16.265 1.00 1.00 C ATOM 1564 O ALA A 104 5.552 36.084 -15.142 1.00 1.00 O ATOM 1565 CB ALA A 104 8.090 37.353 -16.338 1.00 1.00 C ATOM 0 H ALA A 104 8.276 36.064 -18.439 1.00 1.00 H new ATOM 0 HA ALA A 104 7.979 35.314 -15.713 1.00 1.00 H new ATOM 0 HB1 ALA A 104 7.813 37.755 -15.363 1.00 1.00 H new ATOM 0 HB2 ALA A 104 9.176 37.326 -16.424 1.00 1.00 H new ATOM 0 HB3 ALA A 104 7.680 37.989 -17.123 1.00 1.00 H new ATOM 1571 N ALA A 105 5.274 35.862 -17.355 1.00 1.00 N ATOM 1572 CA ALA A 105 3.828 35.732 -17.275 1.00 1.00 C ATOM 1573 C ALA A 105 3.450 34.444 -16.551 1.00 1.00 C ATOM 1574 O ALA A 105 2.467 34.391 -15.812 1.00 1.00 O ATOM 1575 CB ALA A 105 3.215 35.753 -18.664 1.00 1.00 C ATOM 0 H ALA A 105 5.644 35.900 -18.305 1.00 1.00 H new ATOM 0 HA ALA A 105 3.437 36.578 -16.710 1.00 1.00 H new ATOM 0 HB1 ALA A 105 2.132 35.655 -18.585 1.00 1.00 H new ATOM 0 HB2 ALA A 105 3.459 36.695 -19.155 1.00 1.00 H new ATOM 0 HB3 ALA A 105 3.613 34.924 -19.250 1.00 1.00 H new ATOM 1581 N ARG A 106 4.252 33.407 -16.783 1.00 1.00 N ATOM 1582 CA ARG A 106 4.006 32.088 -16.210 1.00 1.00 C ATOM 1583 C ARG A 106 4.796 31.914 -14.929 1.00 1.00 C ATOM 1584 O ARG A 106 4.276 31.437 -13.928 1.00 1.00 O ATOM 1585 CB ARG A 106 4.401 30.998 -17.197 1.00 1.00 C ATOM 1586 CG ARG A 106 4.081 31.376 -18.630 1.00 1.00 C ATOM 1587 CD ARG A 106 3.912 30.168 -19.525 1.00 1.00 C ATOM 1588 NE ARG A 106 2.774 30.350 -20.423 1.00 1.00 N ATOM 1589 CZ ARG A 106 1.545 29.888 -20.173 1.00 1.00 C ATOM 1590 NH1 ARG A 106 1.327 29.129 -19.115 1.00 1.00 N ATOM 1591 NH2 ARG A 106 0.537 30.189 -20.976 1.00 1.00 N ATOM 0 H ARG A 106 5.085 33.458 -17.370 1.00 1.00 H new ATOM 0 HA ARG A 106 2.941 32.006 -15.991 1.00 1.00 H new ATOM 0 HB2 ARG A 106 5.469 30.798 -17.106 1.00 1.00 H new ATOM 0 HB3 ARG A 106 3.881 30.075 -16.942 1.00 1.00 H new ATOM 0 HG2 ARG A 106 3.167 31.970 -18.650 1.00 1.00 H new ATOM 0 HG3 ARG A 106 4.879 32.006 -19.023 1.00 1.00 H new ATOM 0 HD2 ARG A 106 4.820 30.010 -20.107 1.00 1.00 H new ATOM 0 HD3 ARG A 106 3.764 29.276 -18.917 1.00 1.00 H new ATOM 0 HE ARG A 106 2.927 30.860 -21.293 1.00 1.00 H new ATOM 0 HH11 ARG A 106 2.097 28.895 -18.488 1.00 1.00 H new ATOM 0 HH12 ARG A 106 0.389 28.777 -18.925 1.00 1.00 H new ATOM 0 HH21 ARG A 106 0.695 30.778 -21.794 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -0.398 29.832 -20.777 1.00 1.00 H new ATOM 1605 N VAL A 107 6.059 32.312 -14.958 1.00 1.00 N ATOM 1606 CA VAL A 107 6.899 32.194 -13.788 1.00 1.00 C ATOM 1607 C VAL A 107 6.578 33.325 -12.810 1.00 1.00 C ATOM 1608 O VAL A 107 6.686 34.508 -13.128 1.00 1.00 O ATOM 1609 CB VAL A 107 8.402 32.191 -14.161 1.00 1.00 C ATOM 1610 CG1 VAL A 107 8.861 33.546 -14.631 1.00 1.00 C ATOM 1611 CG2 VAL A 107 9.233 31.702 -12.995 1.00 1.00 C ATOM 0 H VAL A 107 6.517 32.716 -15.775 1.00 1.00 H new ATOM 0 HA VAL A 107 6.690 31.238 -13.308 1.00 1.00 H new ATOM 0 HB VAL A 107 8.541 31.502 -14.994 1.00 1.00 H new ATOM 0 HG11 VAL A 107 9.921 33.504 -14.883 1.00 1.00 H new ATOM 0 HG12 VAL A 107 8.289 33.838 -15.512 1.00 1.00 H new ATOM 0 HG13 VAL A 107 8.706 34.278 -13.838 1.00 1.00 H new ATOM 0 HG21 VAL A 107 10.287 31.706 -13.273 1.00 1.00 H new ATOM 0 HG22 VAL A 107 9.081 32.359 -12.139 1.00 1.00 H new ATOM 0 HG23 VAL A 107 8.930 30.688 -12.732 1.00 1.00 H new ATOM 1621 N ARG A 108 6.106 32.950 -11.640 1.00 1.00 N ATOM 1622 CA ARG A 108 5.708 33.919 -10.650 1.00 1.00 C ATOM 1623 C ARG A 108 6.256 33.528 -9.298 1.00 1.00 C ATOM 1624 O ARG A 108 6.424 32.351 -8.996 1.00 1.00 O ATOM 1625 CB ARG A 108 4.183 34.028 -10.563 1.00 1.00 C ATOM 1626 CG ARG A 108 3.504 34.315 -11.888 1.00 1.00 C ATOM 1627 CD ARG A 108 3.927 35.670 -12.429 1.00 1.00 C ATOM 1628 NE ARG A 108 3.631 36.760 -11.496 1.00 1.00 N ATOM 1629 CZ ARG A 108 4.309 37.910 -11.457 1.00 1.00 C ATOM 1630 NH1 ARG A 108 5.318 38.127 -12.301 1.00 1.00 N ATOM 1631 NH2 ARG A 108 3.979 38.841 -10.568 1.00 1.00 N ATOM 0 H ARG A 108 5.990 31.978 -11.354 1.00 1.00 H new ATOM 0 HA ARG A 108 6.110 34.887 -10.949 1.00 1.00 H new ATOM 0 HB2 ARG A 108 3.786 33.097 -10.158 1.00 1.00 H new ATOM 0 HB3 ARG A 108 3.926 34.818 -9.857 1.00 1.00 H new ATOM 0 HG2 ARG A 108 3.757 33.536 -12.607 1.00 1.00 H new ATOM 0 HG3 ARG A 108 2.422 34.291 -11.760 1.00 1.00 H new ATOM 0 HD2 ARG A 108 4.996 35.656 -12.640 1.00 1.00 H new ATOM 0 HD3 ARG A 108 3.418 35.856 -13.375 1.00 1.00 H new ATOM 0 HE ARG A 108 2.862 36.633 -10.838 1.00 1.00 H new ATOM 0 HH11 ARG A 108 5.576 37.413 -12.982 1.00 1.00 H new ATOM 0 HH12 ARG A 108 5.832 39.007 -12.266 1.00 1.00 H new ATOM 0 HH21 ARG A 108 3.210 38.676 -9.918 1.00 1.00 H new ATOM 0 HH22 ARG A 108 4.495 39.720 -10.535 1.00 1.00 H new ATOM 1645 N MET A 109 6.540 34.525 -8.501 1.00 1.00 N ATOM 1646 CA MET A 109 7.078 34.308 -7.171 1.00 1.00 C ATOM 1647 C MET A 109 5.976 33.906 -6.209 1.00 1.00 C ATOM 1648 O MET A 109 4.888 34.477 -6.244 1.00 1.00 O ATOM 1649 CB MET A 109 7.763 35.569 -6.682 1.00 1.00 C ATOM 1650 CG MET A 109 8.977 35.949 -7.504 1.00 1.00 C ATOM 1651 SD MET A 109 10.320 34.770 -7.313 1.00 1.00 S ATOM 1652 CE MET A 109 10.512 34.829 -5.539 1.00 1.00 C ATOM 0 H MET A 109 6.408 35.506 -8.747 1.00 1.00 H new ATOM 0 HA MET A 109 7.807 33.499 -7.216 1.00 1.00 H new ATOM 0 HB2 MET A 109 7.049 36.392 -6.700 1.00 1.00 H new ATOM 0 HB3 MET A 109 8.065 35.431 -5.644 1.00 1.00 H new ATOM 0 HG2 MET A 109 8.697 36.011 -8.556 1.00 1.00 H new ATOM 0 HG3 MET A 109 9.320 36.940 -7.206 1.00 1.00 H new ATOM 0 HE1 MET A 109 11.572 34.857 -5.289 1.00 1.00 H new ATOM 0 HE2 MET A 109 10.024 35.722 -5.150 1.00 1.00 H new ATOM 0 HE3 MET A 109 10.057 33.944 -5.094 1.00 1.00 H new ATOM 1662 N LEU A 110 6.272 32.963 -5.321 1.00 1.00 N ATOM 1663 CA LEU A 110 5.296 32.488 -4.342 1.00 1.00 C ATOM 1664 C LEU A 110 4.758 33.646 -3.501 1.00 1.00 C ATOM 1665 O LEU A 110 3.551 33.856 -3.434 1.00 1.00 O ATOM 1666 CB LEU A 110 5.947 31.401 -3.458 1.00 1.00 C ATOM 1667 CG LEU A 110 5.020 30.669 -2.471 1.00 1.00 C ATOM 1668 CD1 LEU A 110 4.824 31.477 -1.196 1.00 1.00 C ATOM 1669 CD2 LEU A 110 3.676 30.364 -3.114 1.00 1.00 C ATOM 0 H LEU A 110 7.184 32.510 -5.258 1.00 1.00 H new ATOM 0 HA LEU A 110 4.445 32.051 -4.864 1.00 1.00 H new ATOM 0 HB2 LEU A 110 6.403 30.658 -4.112 1.00 1.00 H new ATOM 0 HB3 LEU A 110 6.754 31.863 -2.889 1.00 1.00 H new ATOM 0 HG LEU A 110 5.500 29.727 -2.206 1.00 1.00 H new ATOM 0 HD11 LEU A 110 4.165 30.934 -0.519 1.00 1.00 H new ATOM 0 HD12 LEU A 110 5.789 31.636 -0.714 1.00 1.00 H new ATOM 0 HD13 LEU A 110 4.378 32.441 -1.441 1.00 1.00 H new ATOM 0 HD21 LEU A 110 3.039 29.847 -2.397 1.00 1.00 H new ATOM 0 HD22 LEU A 110 3.198 31.295 -3.418 1.00 1.00 H new ATOM 0 HD23 LEU A 110 3.826 29.731 -3.989 1.00 1.00 H new ATOM 1681 N ARG A 111 5.651 34.457 -2.943 1.00 1.00 N ATOM 1682 CA ARG A 111 5.223 35.570 -2.101 1.00 1.00 C ATOM 1683 C ARG A 111 4.567 36.669 -2.942 1.00 1.00 C ATOM 1684 O ARG A 111 3.850 37.516 -2.419 1.00 1.00 O ATOM 1685 CB ARG A 111 6.401 36.156 -1.310 1.00 1.00 C ATOM 1686 CG ARG A 111 5.985 37.307 -0.401 1.00 1.00 C ATOM 1687 CD ARG A 111 7.170 38.006 0.243 1.00 1.00 C ATOM 1688 NE ARG A 111 7.293 37.687 1.663 1.00 1.00 N ATOM 1689 CZ ARG A 111 6.897 38.497 2.648 1.00 1.00 C ATOM 1690 NH1 ARG A 111 6.271 39.636 2.372 1.00 1.00 N ATOM 1691 NH2 ARG A 111 7.110 38.149 3.910 1.00 1.00 N ATOM 0 H ARG A 111 6.661 34.368 -3.055 1.00 1.00 H new ATOM 0 HA ARG A 111 4.491 35.180 -1.394 1.00 1.00 H new ATOM 0 HB2 ARG A 111 6.856 35.369 -0.708 1.00 1.00 H new ATOM 0 HB3 ARG A 111 7.163 36.506 -2.007 1.00 1.00 H new ATOM 0 HG2 ARG A 111 5.412 38.032 -0.979 1.00 1.00 H new ATOM 0 HG3 ARG A 111 5.325 36.928 0.379 1.00 1.00 H new ATOM 0 HD2 ARG A 111 8.085 37.716 -0.273 1.00 1.00 H new ATOM 0 HD3 ARG A 111 7.063 39.084 0.122 1.00 1.00 H new ATOM 0 HE ARG A 111 7.707 36.790 1.918 1.00 1.00 H new ATOM 0 HH11 ARG A 111 6.090 39.897 1.403 1.00 1.00 H new ATOM 0 HH12 ARG A 111 5.971 40.250 3.130 1.00 1.00 H new ATOM 0 HH21 ARG A 111 7.574 37.266 4.124 1.00 1.00 H new ATOM 0 HH22 ARG A 111 6.810 38.764 4.666 1.00 1.00 H new ATOM 1705 N SER A 112 4.765 36.618 -4.256 1.00 1.00 N ATOM 1706 CA SER A 112 4.200 37.626 -5.137 1.00 1.00 C ATOM 1707 C SER A 112 2.699 37.395 -5.314 1.00 1.00 C ATOM 1708 O SER A 112 2.034 38.149 -6.030 1.00 1.00 O ATOM 1709 CB SER A 112 4.924 37.632 -6.495 1.00 1.00 C ATOM 1710 OG SER A 112 4.321 38.535 -7.409 1.00 1.00 O ATOM 0 H SER A 112 5.308 35.895 -4.728 1.00 1.00 H new ATOM 0 HA SER A 112 4.343 38.605 -4.681 1.00 1.00 H new ATOM 0 HB2 SER A 112 5.969 37.906 -6.349 1.00 1.00 H new ATOM 0 HB3 SER A 112 4.914 36.627 -6.917 1.00 1.00 H new ATOM 0 HG SER A 112 3.401 38.719 -7.127 1.00 1.00 H new ATOM 1716 N PHE A 113 2.159 36.327 -4.716 1.00 1.00 N ATOM 1717 CA PHE A 113 0.727 36.073 -4.754 1.00 1.00 C ATOM 1718 C PHE A 113 0.055 36.604 -3.496 1.00 1.00 C ATOM 1719 O PHE A 113 -1.160 36.783 -3.461 1.00 1.00 O ATOM 1720 CB PHE A 113 0.483 34.566 -4.862 1.00 1.00 C ATOM 1721 CG PHE A 113 0.875 33.983 -6.184 1.00 1.00 C ATOM 1722 CD1 PHE A 113 0.024 34.075 -7.268 1.00 1.00 C ATOM 1723 CD2 PHE A 113 2.088 33.338 -6.339 1.00 1.00 C ATOM 1724 CE1 PHE A 113 0.375 33.537 -8.487 1.00 1.00 C ATOM 1725 CE2 PHE A 113 2.446 32.794 -7.557 1.00 1.00 C ATOM 1726 CZ PHE A 113 1.589 32.893 -8.633 1.00 1.00 C ATOM 0 H PHE A 113 2.697 35.629 -4.202 1.00 1.00 H new ATOM 0 HA PHE A 113 0.303 36.583 -5.619 1.00 1.00 H new ATOM 0 HB2 PHE A 113 1.039 34.060 -4.073 1.00 1.00 H new ATOM 0 HB3 PHE A 113 -0.574 34.365 -4.686 1.00 1.00 H new ATOM 0 HD1 PHE A 113 -0.927 34.574 -7.159 1.00 1.00 H new ATOM 0 HD2 PHE A 113 2.762 33.259 -5.499 1.00 1.00 H new ATOM 0 HE1 PHE A 113 -0.298 33.619 -9.328 1.00 1.00 H new ATOM 0 HE2 PHE A 113 3.396 32.292 -7.667 1.00 1.00 H new ATOM 0 HZ PHE A 113 1.866 32.469 -9.587 1.00 1.00 H new ATOM 1736 N ASP A 114 0.858 36.846 -2.469 1.00 1.00 N ATOM 1737 CA ASP A 114 0.350 37.324 -1.184 1.00 1.00 C ATOM 1738 C ASP A 114 -0.378 38.646 -1.359 1.00 1.00 C ATOM 1739 O ASP A 114 0.193 39.611 -1.857 1.00 1.00 O ATOM 1740 CB ASP A 114 1.504 37.486 -0.185 1.00 1.00 C ATOM 1741 CG ASP A 114 1.071 38.096 1.141 1.00 1.00 C ATOM 1742 OD1 ASP A 114 -0.053 37.804 1.606 1.00 1.00 O ATOM 1743 OD2 ASP A 114 1.855 38.869 1.726 1.00 1.00 O ATOM 0 H ASP A 114 1.870 36.719 -2.498 1.00 1.00 H new ATOM 0 HA ASP A 114 -0.353 36.588 -0.795 1.00 1.00 H new ATOM 0 HB2 ASP A 114 1.954 36.511 0.001 1.00 1.00 H new ATOM 0 HB3 ASP A 114 2.276 38.113 -0.631 1.00 1.00 H new ATOM 2056 N GLU A 136 7.480 27.019 10.361 1.00 1.00 N ATOM 2057 CA GLU A 136 6.132 27.545 10.482 1.00 1.00 C ATOM 2058 C GLU A 136 6.047 28.899 9.790 1.00 1.00 C ATOM 2059 O GLU A 136 4.978 29.315 9.350 1.00 1.00 O ATOM 2060 CB GLU A 136 5.714 27.653 11.944 1.00 1.00 C ATOM 2061 CG GLU A 136 5.723 26.318 12.658 1.00 1.00 C ATOM 2062 CD GLU A 136 5.179 26.399 14.060 1.00 1.00 C ATOM 2063 OE1 GLU A 136 5.544 27.340 14.790 1.00 1.00 O ATOM 2064 OE2 GLU A 136 4.383 25.514 14.442 1.00 1.00 O ATOM 0 HA GLU A 136 5.442 26.856 9.996 1.00 1.00 H new ATOM 0 HB2 GLU A 136 6.386 28.340 12.459 1.00 1.00 H new ATOM 0 HB3 GLU A 136 4.714 28.083 12.000 1.00 1.00 H new ATOM 0 HG2 GLU A 136 5.133 25.602 12.086 1.00 1.00 H new ATOM 0 HG3 GLU A 136 6.743 25.936 12.691 1.00 1.00 H new ATOM 2071 N GLU A 137 7.186 29.578 9.683 1.00 1.00 N ATOM 2072 CA GLU A 137 7.246 30.850 8.971 1.00 1.00 C ATOM 2073 C GLU A 137 6.962 30.624 7.499 1.00 1.00 C ATOM 2074 O GLU A 137 6.186 31.351 6.883 1.00 1.00 O ATOM 2075 CB GLU A 137 8.605 31.530 9.148 1.00 1.00 C ATOM 2076 CG GLU A 137 8.856 32.643 8.144 1.00 1.00 C ATOM 2077 CD GLU A 137 10.006 33.542 8.541 1.00 1.00 C ATOM 2078 OE1 GLU A 137 11.166 33.203 8.239 1.00 1.00 O ATOM 2079 OE2 GLU A 137 9.750 34.595 9.163 1.00 1.00 O ATOM 0 H GLU A 137 8.075 29.271 10.078 1.00 1.00 H new ATOM 0 HA GLU A 137 6.489 31.511 9.392 1.00 1.00 H new ATOM 0 HB2 GLU A 137 8.670 31.938 10.156 1.00 1.00 H new ATOM 0 HB3 GLU A 137 9.392 30.782 9.055 1.00 1.00 H new ATOM 0 HG2 GLU A 137 9.063 32.205 7.167 1.00 1.00 H new ATOM 0 HG3 GLU A 137 7.952 33.242 8.039 1.00 1.00 H new ATOM 2086 N VAL A 138 7.591 29.603 6.943 1.00 1.00 N ATOM 2087 CA VAL A 138 7.368 29.246 5.559 1.00 1.00 C ATOM 2088 C VAL A 138 5.918 28.818 5.384 1.00 1.00 C ATOM 2089 O VAL A 138 5.275 29.109 4.379 1.00 1.00 O ATOM 2090 CB VAL A 138 8.287 28.103 5.114 1.00 1.00 C ATOM 2091 CG1 VAL A 138 8.165 27.854 3.626 1.00 1.00 C ATOM 2092 CG2 VAL A 138 9.726 28.376 5.513 1.00 1.00 C ATOM 0 H VAL A 138 8.260 29.008 7.432 1.00 1.00 H new ATOM 0 HA VAL A 138 7.590 30.117 4.943 1.00 1.00 H new ATOM 0 HB VAL A 138 7.968 27.196 5.627 1.00 1.00 H new ATOM 0 HG11 VAL A 138 8.828 27.038 3.338 1.00 1.00 H new ATOM 0 HG12 VAL A 138 7.136 27.588 3.385 1.00 1.00 H new ATOM 0 HG13 VAL A 138 8.443 28.757 3.082 1.00 1.00 H new ATOM 0 HG21 VAL A 138 10.357 27.550 5.186 1.00 1.00 H new ATOM 0 HG22 VAL A 138 10.065 29.300 5.044 1.00 1.00 H new ATOM 0 HG23 VAL A 138 9.791 28.475 6.597 1.00 1.00 H new ATOM 2102 N PHE A 139 5.428 28.080 6.356 1.00 1.00 N ATOM 2103 CA PHE A 139 4.031 27.689 6.359 1.00 1.00 C ATOM 2104 C PHE A 139 3.155 28.941 6.278 1.00 1.00 C ATOM 2105 O PHE A 139 2.215 29.003 5.485 1.00 1.00 O ATOM 2106 CB PHE A 139 3.688 26.851 7.598 1.00 1.00 C ATOM 2107 CG PHE A 139 2.230 26.516 7.695 1.00 1.00 C ATOM 2108 CD1 PHE A 139 1.733 25.385 7.079 1.00 1.00 C ATOM 2109 CD2 PHE A 139 1.359 27.336 8.391 1.00 1.00 C ATOM 2110 CE1 PHE A 139 0.391 25.074 7.154 1.00 1.00 C ATOM 2111 CE2 PHE A 139 0.015 27.031 8.470 1.00 1.00 C ATOM 2112 CZ PHE A 139 -0.468 25.898 7.852 1.00 1.00 C ATOM 0 H PHE A 139 5.970 27.739 7.150 1.00 1.00 H new ATOM 0 HA PHE A 139 3.838 27.062 5.488 1.00 1.00 H new ATOM 0 HB2 PHE A 139 4.266 25.927 7.576 1.00 1.00 H new ATOM 0 HB3 PHE A 139 3.990 27.395 8.493 1.00 1.00 H new ATOM 0 HD1 PHE A 139 2.402 24.737 6.533 1.00 1.00 H new ATOM 0 HD2 PHE A 139 1.735 28.224 8.877 1.00 1.00 H new ATOM 0 HE1 PHE A 139 0.013 24.187 6.667 1.00 1.00 H new ATOM 0 HE2 PHE A 139 -0.656 27.679 9.015 1.00 1.00 H new ATOM 0 HZ PHE A 139 -1.518 25.655 7.914 1.00 1.00 H new ATOM 2122 N ALA A 140 3.546 29.963 7.034 1.00 1.00 N ATOM 2123 CA ALA A 140 2.839 31.239 7.065 1.00 1.00 C ATOM 2124 C ALA A 140 2.945 31.976 5.732 1.00 1.00 C ATOM 2125 O ALA A 140 1.954 32.485 5.218 1.00 1.00 O ATOM 2126 CB ALA A 140 3.395 32.108 8.178 1.00 1.00 C ATOM 0 H ALA A 140 4.363 29.929 7.643 1.00 1.00 H new ATOM 0 HA ALA A 140 1.785 31.032 7.249 1.00 1.00 H new ATOM 0 HB1 ALA A 140 2.864 33.060 8.197 1.00 1.00 H new ATOM 0 HB2 ALA A 140 3.266 31.601 9.134 1.00 1.00 H new ATOM 0 HB3 ALA A 140 4.456 32.288 8.003 1.00 1.00 H new ATOM 2132 N VAL A 141 4.155 32.069 5.196 1.00 1.00 N ATOM 2133 CA VAL A 141 4.372 32.756 3.924 1.00 1.00 C ATOM 2134 C VAL A 141 3.566 32.111 2.805 1.00 1.00 C ATOM 2135 O VAL A 141 2.893 32.783 2.021 1.00 1.00 O ATOM 2136 CB VAL A 141 5.875 32.811 3.548 1.00 1.00 C ATOM 2137 CG1 VAL A 141 6.553 31.468 3.578 1.00 1.00 C ATOM 2138 CG2 VAL A 141 6.077 33.468 2.196 1.00 1.00 C ATOM 0 H VAL A 141 4.999 31.681 5.617 1.00 1.00 H new ATOM 0 HA VAL A 141 4.024 33.781 4.052 1.00 1.00 H new ATOM 0 HB VAL A 141 6.348 33.418 4.320 1.00 1.00 H new ATOM 0 HG11 VAL A 141 7.602 31.584 3.304 1.00 1.00 H new ATOM 0 HG12 VAL A 141 6.484 31.048 4.581 1.00 1.00 H new ATOM 0 HG13 VAL A 141 6.065 30.798 2.870 1.00 1.00 H new ATOM 0 HG21 VAL A 141 7.141 33.493 1.959 1.00 1.00 H new ATOM 0 HG22 VAL A 141 5.548 32.898 1.432 1.00 1.00 H new ATOM 0 HG23 VAL A 141 5.688 34.486 2.224 1.00 1.00 H new ATOM 2148 N ILE A 142 3.588 30.798 2.785 1.00 1.00 N ATOM 2149 CA ILE A 142 2.849 30.043 1.793 1.00 1.00 C ATOM 2150 C ILE A 142 1.351 30.192 1.983 1.00 1.00 C ATOM 2151 O ILE A 142 0.639 30.510 1.039 1.00 1.00 O ATOM 2152 CB ILE A 142 3.233 28.558 1.824 1.00 1.00 C ATOM 2153 CG1 ILE A 142 4.635 28.396 1.255 1.00 1.00 C ATOM 2154 CG2 ILE A 142 2.224 27.724 1.045 1.00 1.00 C ATOM 2155 CD1 ILE A 142 5.389 27.265 1.887 1.00 1.00 C ATOM 0 H ILE A 142 4.112 30.226 3.447 1.00 1.00 H new ATOM 0 HA ILE A 142 3.116 30.452 0.819 1.00 1.00 H new ATOM 0 HB ILE A 142 3.223 28.201 2.854 1.00 1.00 H new ATOM 0 HG12 ILE A 142 4.569 28.228 0.180 1.00 1.00 H new ATOM 0 HG13 ILE A 142 5.190 29.323 1.399 1.00 1.00 H new ATOM 0 HG21 ILE A 142 2.515 26.674 1.080 1.00 1.00 H new ATOM 0 HG22 ILE A 142 1.235 27.841 1.489 1.00 1.00 H new ATOM 0 HG23 ILE A 142 2.198 28.059 0.008 1.00 1.00 H new ATOM 0 HD11 ILE A 142 6.382 27.196 1.443 1.00 1.00 H new ATOM 0 HD12 ILE A 142 5.482 27.444 2.958 1.00 1.00 H new ATOM 0 HD13 ILE A 142 4.852 26.331 1.720 1.00 1.00 H new ATOM 2167 N GLU A 143 0.875 29.963 3.205 1.00 1.00 N ATOM 2168 CA GLU A 143 -0.555 30.099 3.500 1.00 1.00 C ATOM 2169 C GLU A 143 -1.035 31.504 3.122 1.00 1.00 C ATOM 2170 O GLU A 143 -2.185 31.695 2.741 1.00 1.00 O ATOM 2171 CB GLU A 143 -0.876 29.799 4.978 1.00 1.00 C ATOM 2172 CG GLU A 143 -0.526 30.921 5.940 1.00 1.00 C ATOM 2173 CD GLU A 143 -1.118 30.722 7.321 1.00 1.00 C ATOM 2174 OE1 GLU A 143 -2.345 30.898 7.470 1.00 1.00 O ATOM 2175 OE2 GLU A 143 -0.366 30.423 8.270 1.00 1.00 O ATOM 0 H GLU A 143 1.449 29.685 4.001 1.00 1.00 H new ATOM 0 HA GLU A 143 -1.087 29.360 2.901 1.00 1.00 H new ATOM 0 HB2 GLU A 143 -1.940 29.579 5.068 1.00 1.00 H new ATOM 0 HB3 GLU A 143 -0.338 28.900 5.278 1.00 1.00 H new ATOM 0 HG2 GLU A 143 0.558 30.996 6.023 1.00 1.00 H new ATOM 0 HG3 GLU A 143 -0.881 31.867 5.531 1.00 1.00 H new ATOM 2182 N SER A 144 -0.125 32.473 3.221 1.00 1.00 N ATOM 2183 CA SER A 144 -0.406 33.863 2.878 1.00 1.00 C ATOM 2184 C SER A 144 -0.517 34.023 1.366 1.00 1.00 C ATOM 2185 O SER A 144 -1.223 34.894 0.871 1.00 1.00 O ATOM 2186 CB SER A 144 0.701 34.770 3.428 1.00 1.00 C ATOM 2187 OG SER A 144 0.268 36.114 3.553 1.00 1.00 O ATOM 0 H SER A 144 0.830 32.313 3.542 1.00 1.00 H new ATOM 0 HA SER A 144 -1.356 34.152 3.327 1.00 1.00 H new ATOM 0 HB2 SER A 144 1.024 34.400 4.401 1.00 1.00 H new ATOM 0 HB3 SER A 144 1.567 34.727 2.768 1.00 1.00 H new ATOM 0 HG SER A 144 -0.100 36.420 2.698 1.00 1.00 H new ATOM 2193 N ALA A 145 0.214 33.191 0.638 1.00 1.00 N ATOM 2194 CA ALA A 145 0.196 33.238 -0.816 1.00 1.00 C ATOM 2195 C ALA A 145 -0.903 32.381 -1.388 1.00 1.00 C ATOM 2196 O ALA A 145 -1.326 32.603 -2.518 1.00 1.00 O ATOM 2197 CB ALA A 145 1.517 32.802 -1.418 1.00 1.00 C ATOM 0 H ALA A 145 0.826 32.476 1.031 1.00 1.00 H new ATOM 0 HA ALA A 145 0.015 34.281 -1.077 1.00 1.00 H new ATOM 0 HB1 ALA A 145 1.456 32.853 -2.505 1.00 1.00 H new ATOM 0 HB2 ALA A 145 2.312 33.461 -1.068 1.00 1.00 H new ATOM 0 HB3 ALA A 145 1.735 31.778 -1.115 1.00 1.00 H new ATOM 2203 N LEU A 146 -1.370 31.394 -0.632 1.00 1.00 N ATOM 2204 CA LEU A 146 -2.419 30.508 -1.117 1.00 1.00 C ATOM 2205 C LEU A 146 -3.667 31.289 -1.586 1.00 1.00 C ATOM 2206 O LEU A 146 -4.226 30.954 -2.624 1.00 1.00 O ATOM 2207 CB LEU A 146 -2.781 29.466 -0.044 1.00 1.00 C ATOM 2208 CG LEU A 146 -1.629 28.544 0.379 1.00 1.00 C ATOM 2209 CD1 LEU A 146 -2.167 27.272 1.010 1.00 1.00 C ATOM 2210 CD2 LEU A 146 -0.737 28.207 -0.808 1.00 1.00 C ATOM 0 H LEU A 146 -1.041 31.189 0.312 1.00 1.00 H new ATOM 0 HA LEU A 146 -2.031 29.983 -1.990 1.00 1.00 H new ATOM 0 HB2 LEU A 146 -3.151 29.988 0.838 1.00 1.00 H new ATOM 0 HB3 LEU A 146 -3.600 28.851 -0.417 1.00 1.00 H new ATOM 0 HG LEU A 146 -1.029 29.074 1.119 1.00 1.00 H new ATOM 0 HD11 LEU A 146 -1.335 26.631 1.303 1.00 1.00 H new ATOM 0 HD12 LEU A 146 -2.758 27.524 1.890 1.00 1.00 H new ATOM 0 HD13 LEU A 146 -2.794 26.746 0.290 1.00 1.00 H new ATOM 0 HD21 LEU A 146 0.071 27.553 -0.482 1.00 1.00 H new ATOM 0 HD22 LEU A 146 -1.326 27.702 -1.574 1.00 1.00 H new ATOM 0 HD23 LEU A 146 -0.317 29.125 -1.220 1.00 1.00 H new ATOM 2222 N PRO A 147 -4.082 32.387 -0.889 1.00 1.00 N ATOM 2223 CA PRO A 147 -5.234 33.210 -1.309 1.00 1.00 C ATOM 2224 C PRO A 147 -4.928 34.032 -2.562 1.00 1.00 C ATOM 2225 O PRO A 147 -5.826 34.571 -3.205 1.00 1.00 O ATOM 2226 CB PRO A 147 -5.459 34.143 -0.121 1.00 1.00 C ATOM 2227 CG PRO A 147 -4.119 34.263 0.502 1.00 1.00 C ATOM 2228 CD PRO A 147 -3.483 32.919 0.349 1.00 1.00 C ATOM 0 HA PRO A 147 -6.099 32.596 -1.561 1.00 1.00 H new ATOM 0 HB2 PRO A 147 -5.838 35.113 -0.442 1.00 1.00 H new ATOM 0 HB3 PRO A 147 -6.188 33.731 0.577 1.00 1.00 H new ATOM 0 HG2 PRO A 147 -3.526 35.035 0.012 1.00 1.00 H new ATOM 0 HG3 PRO A 147 -4.199 34.542 1.553 1.00 1.00 H new ATOM 0 HD2 PRO A 147 -2.399 32.996 0.268 1.00 1.00 H new ATOM 0 HD3 PRO A 147 -3.694 32.277 1.204 1.00 1.00 H new ATOM 2236 N GLY A 148 -3.656 34.060 -2.928 1.00 1.00 N ATOM 2237 CA GLY A 148 -3.236 34.792 -4.101 1.00 1.00 C ATOM 2238 C GLY A 148 -2.960 33.845 -5.239 1.00 1.00 C ATOM 2239 O GLY A 148 -3.242 34.138 -6.400 1.00 1.00 O ATOM 0 H GLY A 148 -2.904 33.585 -2.429 1.00 1.00 H new ATOM 0 HA2 GLY A 148 -4.010 35.503 -4.390 1.00 1.00 H new ATOM 0 HA3 GLY A 148 -2.340 35.370 -3.875 1.00 1.00 H new ATOM 2243 N LEU A 149 -2.473 32.670 -4.880 1.00 1.00 N ATOM 2244 CA LEU A 149 -2.181 31.624 -5.837 1.00 1.00 C ATOM 2245 C LEU A 149 -3.501 31.016 -6.303 1.00 1.00 C ATOM 2246 O LEU A 149 -3.699 30.747 -7.485 1.00 1.00 O ATOM 2247 CB LEU A 149 -1.269 30.568 -5.183 1.00 1.00 C ATOM 2248 CG LEU A 149 -0.019 30.210 -5.976 1.00 1.00 C ATOM 2249 CD1 LEU A 149 0.623 28.958 -5.416 1.00 1.00 C ATOM 2250 CD2 LEU A 149 -0.358 30.009 -7.432 1.00 1.00 C ATOM 0 H LEU A 149 -2.269 32.416 -3.913 1.00 1.00 H new ATOM 0 HA LEU A 149 -1.654 32.025 -6.703 1.00 1.00 H new ATOM 0 HB2 LEU A 149 -0.965 30.931 -4.201 1.00 1.00 H new ATOM 0 HB3 LEU A 149 -1.850 29.660 -5.021 1.00 1.00 H new ATOM 0 HG LEU A 149 0.688 31.035 -5.891 1.00 1.00 H new ATOM 0 HD11 LEU A 149 1.515 28.716 -5.994 1.00 1.00 H new ATOM 0 HD12 LEU A 149 0.900 29.125 -4.375 1.00 1.00 H new ATOM 0 HD13 LEU A 149 -0.083 28.130 -5.475 1.00 1.00 H new ATOM 0 HD21 LEU A 149 0.546 29.754 -7.984 1.00 1.00 H new ATOM 0 HD22 LEU A 149 -1.082 29.200 -7.529 1.00 1.00 H new ATOM 0 HD23 LEU A 149 -0.783 30.927 -7.837 1.00 1.00 H new ATOM 2262 N HIS A 150 -4.407 30.851 -5.343 1.00 1.00 N ATOM 2263 CA HIS A 150 -5.757 30.361 -5.614 1.00 1.00 C ATOM 2264 C HIS A 150 -6.450 31.225 -6.648 1.00 1.00 C ATOM 2265 O HIS A 150 -6.965 30.724 -7.642 1.00 1.00 O ATOM 2266 CB HIS A 150 -6.609 30.367 -4.347 1.00 1.00 C ATOM 2267 CG HIS A 150 -6.768 29.029 -3.715 1.00 1.00 C ATOM 2268 ND1 HIS A 150 -7.903 28.262 -3.857 1.00 1.00 N ATOM 2269 CD2 HIS A 150 -5.940 28.331 -2.915 1.00 1.00 C ATOM 2270 CE1 HIS A 150 -7.763 27.149 -3.164 1.00 1.00 C ATOM 2271 NE2 HIS A 150 -6.578 27.163 -2.580 1.00 1.00 N ATOM 0 H HIS A 150 -4.228 31.052 -4.359 1.00 1.00 H new ATOM 0 HA HIS A 150 -5.654 29.342 -5.987 1.00 1.00 H new ATOM 0 HB2 HIS A 150 -6.160 31.048 -3.624 1.00 1.00 H new ATOM 0 HB3 HIS A 150 -7.596 30.763 -4.587 1.00 1.00 H new ATOM 0 HD2 HIS A 150 -4.954 28.635 -2.595 1.00 1.00 H new ATOM 0 HE1 HIS A 150 -8.495 26.358 -3.087 1.00 1.00 H new ATOM 0 HE2 HIS A 150 -6.201 26.429 -1.981 1.00 1.00 H new ATOM 2280 N ASP A 151 -6.454 32.528 -6.401 1.00 1.00 N ATOM 2281 CA ASP A 151 -7.141 33.477 -7.268 1.00 1.00 C ATOM 2282 C ASP A 151 -6.553 33.458 -8.668 1.00 1.00 C ATOM 2283 O ASP A 151 -7.281 33.448 -9.664 1.00 1.00 O ATOM 2284 CB ASP A 151 -7.032 34.878 -6.671 1.00 1.00 C ATOM 2285 CG ASP A 151 -8.073 35.838 -7.212 1.00 1.00 C ATOM 2286 OD1 ASP A 151 -9.235 35.777 -6.752 1.00 1.00 O ATOM 2287 OD2 ASP A 151 -7.730 36.675 -8.075 1.00 1.00 O ATOM 0 H ASP A 151 -5.986 32.955 -5.602 1.00 1.00 H new ATOM 0 HA ASP A 151 -8.190 33.190 -7.340 1.00 1.00 H new ATOM 0 HB2 ASP A 151 -7.134 34.814 -5.588 1.00 1.00 H new ATOM 0 HB3 ASP A 151 -6.038 35.277 -6.874 1.00 1.00 H new ATOM 2292 N TRP A 152 -5.230 33.404 -8.728 1.00 1.00 N ATOM 2293 CA TRP A 152 -4.512 33.393 -9.989 1.00 1.00 C ATOM 2294 C TRP A 152 -4.898 32.175 -10.815 1.00 1.00 C ATOM 2295 O TRP A 152 -5.371 32.310 -11.942 1.00 1.00 O ATOM 2296 CB TRP A 152 -3.008 33.397 -9.721 1.00 1.00 C ATOM 2297 CG TRP A 152 -2.170 33.664 -10.935 1.00 1.00 C ATOM 2298 CD1 TRP A 152 -1.559 34.841 -11.259 1.00 1.00 C ATOM 2299 CD2 TRP A 152 -1.849 32.743 -11.986 1.00 1.00 C ATOM 2300 NE1 TRP A 152 -0.867 34.702 -12.437 1.00 1.00 N ATOM 2301 CE2 TRP A 152 -1.037 33.427 -12.905 1.00 1.00 C ATOM 2302 CE3 TRP A 152 -2.169 31.405 -12.239 1.00 1.00 C ATOM 2303 CZ2 TRP A 152 -0.541 32.822 -14.051 1.00 1.00 C ATOM 2304 CZ3 TRP A 152 -1.675 30.806 -13.382 1.00 1.00 C ATOM 2305 CH2 TRP A 152 -0.868 31.516 -14.276 1.00 1.00 C ATOM 0 H TRP A 152 -4.628 33.367 -7.905 1.00 1.00 H new ATOM 0 HA TRP A 152 -4.778 34.285 -10.555 1.00 1.00 H new ATOM 0 HB2 TRP A 152 -2.786 34.152 -8.967 1.00 1.00 H new ATOM 0 HB3 TRP A 152 -2.722 32.433 -9.301 1.00 1.00 H new ATOM 0 HD1 TRP A 152 -1.612 35.748 -10.675 1.00 1.00 H new ATOM 0 HE1 TRP A 152 -0.316 35.431 -12.890 1.00 1.00 H new ATOM 0 HE3 TRP A 152 -2.791 30.850 -11.553 1.00 1.00 H new ATOM 0 HZ2 TRP A 152 0.084 33.367 -14.743 1.00 1.00 H new ATOM 0 HZ3 TRP A 152 -1.916 29.774 -13.588 1.00 1.00 H new ATOM 0 HH2 TRP A 152 -0.496 31.022 -15.161 1.00 1.00 H new ATOM 2316 N VAL A 153 -4.714 30.987 -10.246 1.00 1.00 N ATOM 2317 CA VAL A 153 -5.014 29.758 -10.966 1.00 1.00 C ATOM 2318 C VAL A 153 -6.491 29.723 -11.351 1.00 1.00 C ATOM 2319 O VAL A 153 -6.828 29.354 -12.468 1.00 1.00 O ATOM 2320 CB VAL A 153 -4.632 28.489 -10.154 1.00 1.00 C ATOM 2321 CG1 VAL A 153 -3.190 28.570 -9.674 1.00 1.00 C ATOM 2322 CG2 VAL A 153 -5.560 28.264 -8.972 1.00 1.00 C ATOM 0 H VAL A 153 -4.362 30.852 -9.298 1.00 1.00 H new ATOM 0 HA VAL A 153 -4.405 29.752 -11.870 1.00 1.00 H new ATOM 0 HB VAL A 153 -4.739 27.638 -10.827 1.00 1.00 H new ATOM 0 HG11 VAL A 153 -2.944 27.672 -9.108 1.00 1.00 H new ATOM 0 HG12 VAL A 153 -2.524 28.651 -10.533 1.00 1.00 H new ATOM 0 HG13 VAL A 153 -3.067 29.445 -9.036 1.00 1.00 H new ATOM 0 HG21 VAL A 153 -5.254 27.366 -8.435 1.00 1.00 H new ATOM 0 HG22 VAL A 153 -5.510 29.122 -8.302 1.00 1.00 H new ATOM 0 HG23 VAL A 153 -6.582 28.142 -9.330 1.00 1.00 H new ATOM 2332 N ASP A 154 -7.345 30.206 -10.447 1.00 1.00 N ATOM 2333 CA ASP A 154 -8.790 30.247 -10.670 1.00 1.00 C ATOM 2334 C ASP A 154 -9.124 31.081 -11.897 1.00 1.00 C ATOM 2335 O ASP A 154 -9.746 30.607 -12.842 1.00 1.00 O ATOM 2336 CB ASP A 154 -9.492 30.851 -9.453 1.00 1.00 C ATOM 2337 CG ASP A 154 -10.769 30.121 -9.085 1.00 1.00 C ATOM 2338 OD1 ASP A 154 -11.827 30.437 -9.669 1.00 1.00 O ATOM 2339 OD2 ASP A 154 -10.725 29.242 -8.191 1.00 1.00 O ATOM 0 H ASP A 154 -7.055 30.578 -9.543 1.00 1.00 H new ATOM 0 HA ASP A 154 -9.135 29.225 -10.828 1.00 1.00 H new ATOM 0 HB2 ASP A 154 -8.811 30.834 -8.602 1.00 1.00 H new ATOM 0 HB3 ASP A 154 -9.723 31.897 -9.655 1.00 1.00 H new ATOM 2344 N GLU A 155 -8.662 32.323 -11.874 1.00 1.00 N ATOM 2345 CA GLU A 155 -8.944 33.268 -12.942 1.00 1.00 C ATOM 2346 C GLU A 155 -8.377 32.768 -14.270 1.00 1.00 C ATOM 2347 O GLU A 155 -9.043 32.828 -15.303 1.00 1.00 O ATOM 2348 CB GLU A 155 -8.369 34.647 -12.606 1.00 1.00 C ATOM 2349 CG GLU A 155 -6.940 34.845 -13.093 1.00 1.00 C ATOM 2350 CD GLU A 155 -6.477 36.282 -13.049 1.00 1.00 C ATOM 2351 OE1 GLU A 155 -6.972 37.029 -12.179 1.00 1.00 O ATOM 2352 OE2 GLU A 155 -5.614 36.671 -13.855 1.00 1.00 O ATOM 0 H GLU A 155 -8.086 32.700 -11.121 1.00 1.00 H new ATOM 0 HA GLU A 155 -10.026 33.356 -13.040 1.00 1.00 H new ATOM 0 HB2 GLU A 155 -9.005 35.414 -13.048 1.00 1.00 H new ATOM 0 HB3 GLU A 155 -8.400 34.791 -11.526 1.00 1.00 H new ATOM 0 HG2 GLU A 155 -6.270 34.238 -12.484 1.00 1.00 H new ATOM 0 HG3 GLU A 155 -6.860 34.478 -14.116 1.00 1.00 H new ATOM 2359 N ARG A 156 -7.182 32.187 -14.207 1.00 1.00 N ATOM 2360 CA ARG A 156 -6.487 31.737 -15.397 1.00 1.00 C ATOM 2361 C ARG A 156 -7.148 30.507 -15.977 1.00 1.00 C ATOM 2362 O ARG A 156 -7.412 30.446 -17.176 1.00 1.00 O ATOM 2363 CB ARG A 156 -5.020 31.458 -15.086 1.00 1.00 C ATOM 2364 CG ARG A 156 -4.221 32.717 -14.791 1.00 1.00 C ATOM 2365 CD ARG A 156 -4.618 33.827 -15.740 1.00 1.00 C ATOM 2366 NE ARG A 156 -4.004 35.111 -15.400 1.00 1.00 N ATOM 2367 CZ ARG A 156 -2.936 35.619 -16.011 1.00 1.00 C ATOM 2368 NH1 ARG A 156 -2.299 34.913 -16.937 1.00 1.00 N ATOM 2369 NH2 ARG A 156 -2.496 36.831 -15.685 1.00 1.00 N ATOM 0 H ARG A 156 -6.677 32.019 -13.337 1.00 1.00 H new ATOM 0 HA ARG A 156 -6.539 32.532 -16.140 1.00 1.00 H new ATOM 0 HB2 ARG A 156 -4.958 30.787 -14.229 1.00 1.00 H new ATOM 0 HB3 ARG A 156 -4.568 30.938 -15.931 1.00 1.00 H new ATOM 0 HG2 ARG A 156 -4.392 33.031 -13.761 1.00 1.00 H new ATOM 0 HG3 ARG A 156 -3.155 32.510 -14.888 1.00 1.00 H new ATOM 0 HD2 ARG A 156 -4.332 33.550 -16.755 1.00 1.00 H new ATOM 0 HD3 ARG A 156 -5.703 33.935 -15.732 1.00 1.00 H new ATOM 0 HE ARG A 156 -4.422 35.653 -14.644 1.00 1.00 H new ATOM 0 HH11 ARG A 156 -2.628 33.979 -17.182 1.00 1.00 H new ATOM 0 HH12 ARG A 156 -1.481 35.305 -17.404 1.00 1.00 H new ATOM 0 HH21 ARG A 156 -2.977 37.372 -14.966 1.00 1.00 H new ATOM 0 HH22 ARG A 156 -1.678 37.220 -16.154 1.00 1.00 H new ATOM 2383 N LEU A 157 -7.465 29.558 -15.107 1.00 1.00 N ATOM 2384 CA LEU A 157 -8.108 28.319 -15.534 1.00 1.00 C ATOM 2385 C LEU A 157 -9.478 28.634 -16.106 1.00 1.00 C ATOM 2386 O LEU A 157 -9.961 27.964 -17.018 1.00 1.00 O ATOM 2387 CB LEU A 157 -8.196 27.294 -14.374 1.00 1.00 C ATOM 2388 CG LEU A 157 -9.176 27.598 -13.229 1.00 1.00 C ATOM 2389 CD1 LEU A 157 -10.611 27.244 -13.600 1.00 1.00 C ATOM 2390 CD2 LEU A 157 -8.766 26.837 -11.984 1.00 1.00 C ATOM 0 H LEU A 157 -7.289 29.620 -14.104 1.00 1.00 H new ATOM 0 HA LEU A 157 -7.500 27.856 -16.311 1.00 1.00 H new ATOM 0 HB2 LEU A 157 -8.466 26.327 -14.799 1.00 1.00 H new ATOM 0 HB3 LEU A 157 -7.200 27.186 -13.944 1.00 1.00 H new ATOM 0 HG LEU A 157 -9.137 28.670 -13.037 1.00 1.00 H new ATOM 0 HD11 LEU A 157 -11.271 27.474 -12.763 1.00 1.00 H new ATOM 0 HD12 LEU A 157 -10.915 27.823 -14.472 1.00 1.00 H new ATOM 0 HD13 LEU A 157 -10.675 26.181 -13.831 1.00 1.00 H new ATOM 0 HD21 LEU A 157 -9.464 27.057 -11.177 1.00 1.00 H new ATOM 0 HD22 LEU A 157 -8.777 25.767 -12.192 1.00 1.00 H new ATOM 0 HD23 LEU A 157 -7.762 27.139 -11.687 1.00 1.00 H new