USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1090 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 Single : A 8 GLN : amide:sc= -3.58! C(o=-3.6!,f=-4.6!) USER MOD Single : A 10 SER OG : rot 85:sc= 0.314 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -15.8! C(o=-16!,f=-4.2!) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= -0.0322 (180deg=-0.509) USER MOD Single : A 22 SER OG : rot 59:sc= -3.81! USER MOD Single : A 25 CYS SG : rot 67:sc= 0.895 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.725 USER MOD Single : A 30 THR OG1 : rot 69:sc= 1.16 USER MOD Single : A 37 HIS : no HD1:sc= 0.0711 K(o=0.071,f=-1.5) USER MOD Single : A 41 GLN : amide:sc= -1.03 K(o=-1,f=-7.5!) USER MOD Single : A 42 THR OG1 : rot 93:sc= 0.332 USER MOD Single : A 45 GLN : amide:sc= -9.59! C(o=-9.6!,f=-4.2!) USER MOD Single : A 46 ASN : amide:sc= -7.22! C(o=-7.2!,f=-19!) USER MOD Single : A 48 CYS SG : rot -152:sc= -5.38! USER MOD Single : A 53 SER OG : rot 63:sc= 0.871 USER MOD Single : A 60 THR OG1 : rot -110:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.968 K(o=-0.97,f=-0.16) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.15! K(o=-1.2!,f=-0.15) USER MOD Single : A 72 SER OG : rot 140:sc= -0.186 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 77 GLN : amide:sc= -10.7! C(o=-11!,f=-9.9!) USER MOD Single : A 79 GLN : amide:sc= -9.05! C(o=-9.1!,f=-4.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 39:sc= 0.566 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -158:sc= -0.202 (180deg=-1) USER MOD Single : A 101 MET CE :methyl -115:sc= -0.678 (180deg=-2.32!) USER MOD Single : A 104 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.077) USER MOD Single : A 107 CYS SG : rot -135:sc= -11! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -5.87! C(o=-5.9!,f=-4.5!) USER MOD Single : A 122 MET CE :methyl -157:sc= -0.124 (180deg=-0.936) USER MOD Single : A 124 CYS SG : rot 20:sc= 0.7 USER MOD Single : A 133 GLN : amide:sc= -0.0407 K(o=-0.041,f=-1) USER MOD Single : A 134 GLN : amide:sc= -0.0535 K(o=-0.053,f=-0.61) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 141 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -15.242 -24.790 7.225 1.00 0.00 N ATOM 2 CA VAL A 4 -14.713 -23.922 6.143 1.00 0.00 C ATOM 3 C VAL A 4 -14.380 -24.778 4.918 1.00 0.00 C ATOM 4 O VAL A 4 -14.046 -25.941 5.040 1.00 0.00 O ATOM 5 CB VAL A 4 -13.437 -23.239 6.642 1.00 0.00 C ATOM 6 CG1 VAL A 4 -13.091 -22.056 5.741 1.00 0.00 C ATOM 7 CG2 VAL A 4 -13.654 -22.740 8.077 1.00 0.00 C ATOM 0 HA VAL A 4 -15.458 -23.174 5.870 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.616 -23.956 6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.182 -21.576 6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.933 -22.409 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.910 -21.337 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.746 -22.253 8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.479 -22.027 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.891 -23.585 8.724 1.00 0.00 H new ATOM 17 N VAL A 5 -14.443 -24.214 3.740 1.00 0.00 N ATOM 18 CA VAL A 5 -14.098 -25.003 2.526 1.00 0.00 C ATOM 19 C VAL A 5 -12.594 -25.309 2.590 1.00 0.00 C ATOM 20 O VAL A 5 -11.809 -24.431 2.888 1.00 0.00 O ATOM 21 CB VAL A 5 -14.428 -24.172 1.275 1.00 0.00 C ATOM 22 CG1 VAL A 5 -13.453 -22.994 1.123 1.00 0.00 C ATOM 23 CG2 VAL A 5 -14.351 -25.060 0.028 1.00 0.00 C ATOM 0 H VAL A 5 -14.717 -23.247 3.569 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.666 -25.932 2.479 1.00 0.00 H new ATOM 0 HB VAL A 5 -15.437 -23.776 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.709 -22.423 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.522 -22.349 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.435 -23.373 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.586 -24.467 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.345 -25.469 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -15.068 -25.876 0.118 1.00 0.00 H new ATOM 33 N PRO A 6 -12.176 -26.536 2.339 1.00 0.00 N ATOM 34 CA PRO A 6 -10.728 -26.909 2.394 1.00 0.00 C ATOM 35 C PRO A 6 -9.958 -26.399 1.186 1.00 0.00 C ATOM 36 O PRO A 6 -8.787 -26.687 1.020 1.00 0.00 O ATOM 37 CB PRO A 6 -10.746 -28.439 2.407 1.00 0.00 C ATOM 38 CG PRO A 6 -12.006 -28.815 1.692 1.00 0.00 C ATOM 39 CD PRO A 6 -13.016 -27.702 1.984 1.00 0.00 C ATOM 0 HA PRO A 6 -10.230 -26.472 3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.870 -28.849 1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.740 -28.826 3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.831 -28.910 0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.378 -29.778 2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.641 -27.493 1.116 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.685 -27.975 2.800 1.00 0.00 H new ATOM 47 N ASP A 7 -10.591 -25.670 0.331 1.00 0.00 N ATOM 48 CA ASP A 7 -9.855 -25.178 -0.872 1.00 0.00 C ATOM 49 C ASP A 7 -9.065 -23.904 -0.530 1.00 0.00 C ATOM 50 O ASP A 7 -8.387 -23.349 -1.368 1.00 0.00 O ATOM 51 CB ASP A 7 -10.839 -24.938 -2.029 1.00 0.00 C ATOM 52 CG ASP A 7 -11.750 -23.733 -1.766 1.00 0.00 C ATOM 53 OD1 ASP A 7 -11.295 -22.774 -1.167 1.00 0.00 O ATOM 54 OD2 ASP A 7 -12.893 -23.791 -2.186 1.00 0.00 O ATOM 0 H ASP A 7 -11.570 -25.391 0.399 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.139 -25.936 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.282 -24.777 -2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.449 -25.829 -2.177 1.00 0.00 H new ATOM 59 N GLN A 8 -9.126 -23.447 0.697 1.00 0.00 N ATOM 60 CA GLN A 8 -8.345 -22.228 1.071 1.00 0.00 C ATOM 61 C GLN A 8 -6.884 -22.621 1.256 1.00 0.00 C ATOM 62 O GLN A 8 -5.997 -22.137 0.591 1.00 0.00 O ATOM 63 CB GLN A 8 -8.878 -21.676 2.388 1.00 0.00 C ATOM 64 CG GLN A 8 -10.369 -21.404 2.245 1.00 0.00 C ATOM 65 CD GLN A 8 -10.921 -20.865 3.560 1.00 0.00 C ATOM 66 OE1 GLN A 8 -10.247 -20.878 4.570 1.00 0.00 O ATOM 67 NE2 GLN A 8 -12.143 -20.406 3.598 1.00 0.00 N ATOM 0 H GLN A 8 -9.677 -23.861 1.449 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.437 -21.473 0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.701 -22.388 3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.352 -20.759 2.652 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.542 -20.685 1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.891 -22.320 1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.710 -20.395 2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.530 -20.059 4.475 1.00 0.00 H new ATOM 76 N ARG A 9 -6.650 -23.511 2.173 1.00 0.00 N ATOM 77 CA ARG A 9 -5.263 -23.990 2.440 1.00 0.00 C ATOM 78 C ARG A 9 -4.616 -24.486 1.150 1.00 0.00 C ATOM 79 O ARG A 9 -3.428 -24.339 0.944 1.00 0.00 O ATOM 80 CB ARG A 9 -5.307 -25.133 3.451 1.00 0.00 C ATOM 81 CG ARG A 9 -3.891 -25.480 3.919 1.00 0.00 C ATOM 82 CD ARG A 9 -3.960 -26.673 4.869 1.00 0.00 C ATOM 83 NE ARG A 9 -4.743 -26.312 6.077 1.00 0.00 N ATOM 84 CZ ARG A 9 -5.177 -27.255 6.864 1.00 0.00 C ATOM 85 NH1 ARG A 9 -4.899 -28.505 6.604 1.00 0.00 N ATOM 86 NH2 ARG A 9 -5.893 -26.949 7.910 1.00 0.00 N ATOM 0 H ARG A 9 -7.369 -23.935 2.759 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.675 -23.163 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.921 -24.849 4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.774 -26.009 3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.259 -25.716 3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.440 -24.624 4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.422 -27.523 4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.954 -26.980 5.155 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.940 -25.334 6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.341 -28.744 5.784 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.240 -29.242 7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.112 -25.973 8.110 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.234 -27.685 8.528 1.00 0.00 H new ATOM 100 N SER A 10 -5.381 -25.121 0.307 1.00 0.00 N ATOM 101 CA SER A 10 -4.806 -25.690 -0.952 1.00 0.00 C ATOM 102 C SER A 10 -4.200 -24.610 -1.863 1.00 0.00 C ATOM 103 O SER A 10 -3.081 -24.745 -2.311 1.00 0.00 O ATOM 104 CB SER A 10 -5.903 -26.417 -1.726 1.00 0.00 C ATOM 105 OG SER A 10 -6.530 -27.376 -0.883 1.00 0.00 O ATOM 0 H SER A 10 -6.382 -25.273 0.432 1.00 0.00 H new ATOM 0 HA SER A 10 -4.008 -26.373 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.640 -25.701 -2.090 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.479 -26.910 -2.601 1.00 0.00 H new ATOM 0 HG SER A 10 -7.239 -26.942 -0.365 1.00 0.00 H new ATOM 111 N LYS A 11 -4.901 -23.551 -2.160 1.00 0.00 N ATOM 112 CA LYS A 11 -4.285 -22.524 -3.056 1.00 0.00 C ATOM 113 C LYS A 11 -3.109 -21.849 -2.348 1.00 0.00 C ATOM 114 O LYS A 11 -2.077 -21.599 -2.940 1.00 0.00 O ATOM 115 CB LYS A 11 -5.324 -21.485 -3.493 1.00 0.00 C ATOM 116 CG LYS A 11 -5.872 -20.725 -2.276 1.00 0.00 C ATOM 117 CD LYS A 11 -6.966 -19.720 -2.724 1.00 0.00 C ATOM 118 CE LYS A 11 -8.354 -20.379 -2.679 1.00 0.00 C ATOM 119 NZ LYS A 11 -9.295 -19.649 -3.574 1.00 0.00 N ATOM 0 H LYS A 11 -5.847 -23.352 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.915 -23.023 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.872 -20.783 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.141 -21.979 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.287 -21.429 -1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.063 -20.194 -1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.951 -18.844 -2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.755 -19.371 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.281 -21.422 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.734 -20.375 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.231 -20.102 -3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.376 -18.661 -3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.936 -19.675 -4.550 1.00 0.00 H new ATOM 133 N PHE A 12 -3.246 -21.555 -1.086 1.00 0.00 N ATOM 134 CA PHE A 12 -2.127 -20.910 -0.348 1.00 0.00 C ATOM 135 C PHE A 12 -0.939 -21.880 -0.188 1.00 0.00 C ATOM 136 O PHE A 12 0.204 -21.482 -0.266 1.00 0.00 O ATOM 137 CB PHE A 12 -2.626 -20.423 1.016 1.00 0.00 C ATOM 138 CG PHE A 12 -1.453 -20.034 1.900 1.00 0.00 C ATOM 139 CD1 PHE A 12 -0.778 -21.025 2.632 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.042 -18.691 1.997 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.302 -20.679 3.451 1.00 0.00 C ATOM 142 CE2 PHE A 12 0.041 -18.351 2.820 1.00 0.00 C ATOM 143 CZ PHE A 12 0.708 -19.341 3.544 1.00 0.00 C ATOM 0 H PHE A 12 -4.085 -21.734 -0.534 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.773 -20.053 -0.921 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.289 -19.568 0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.209 -21.207 1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.093 -22.056 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.560 -17.925 1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.822 -21.442 4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.360 -17.322 2.894 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.540 -19.075 4.178 1.00 0.00 H new ATOM 153 N GLU A 13 -1.167 -23.134 0.096 1.00 0.00 N ATOM 154 CA GLU A 13 0.011 -24.036 0.299 1.00 0.00 C ATOM 155 C GLU A 13 0.745 -24.359 -1.017 1.00 0.00 C ATOM 156 O GLU A 13 1.921 -24.668 -0.996 1.00 0.00 O ATOM 157 CB GLU A 13 -0.430 -25.341 0.973 1.00 0.00 C ATOM 158 CG GLU A 13 -1.124 -26.253 -0.036 1.00 0.00 C ATOM 159 CD GLU A 13 -1.850 -27.372 0.710 1.00 0.00 C ATOM 160 OE1 GLU A 13 -1.721 -27.430 1.923 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.523 -28.155 0.060 1.00 0.00 O ATOM 0 H GLU A 13 -2.086 -23.566 0.195 1.00 0.00 H new ATOM 0 HA GLU A 13 0.710 -23.501 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.436 -25.849 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.106 -25.121 1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.832 -25.680 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.393 -26.675 -0.725 1.00 0.00 H new ATOM 168 N ASN A 14 0.075 -24.339 -2.147 1.00 0.00 N ATOM 169 CA ASN A 14 0.769 -24.710 -3.432 1.00 0.00 C ATOM 170 C ASN A 14 1.213 -23.481 -4.238 1.00 0.00 C ATOM 171 O ASN A 14 2.064 -23.590 -5.098 1.00 0.00 O ATOM 172 CB ASN A 14 -0.169 -25.565 -4.280 1.00 0.00 C ATOM 173 CG ASN A 14 -1.351 -24.722 -4.761 1.00 0.00 C ATOM 174 OD1 ASN A 14 -2.141 -25.171 -5.566 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.512 -23.517 -4.298 1.00 0.00 N ATOM 0 H ASN A 14 -0.909 -24.086 -2.239 1.00 0.00 H new ATOM 0 HA ASN A 14 1.669 -25.267 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.370 -25.972 -5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.529 -26.413 -3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.301 -22.951 -4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.849 -23.138 -3.622 1.00 0.00 H new ATOM 182 N GLU A 15 0.678 -22.309 -3.981 1.00 0.00 N ATOM 183 CA GLU A 15 1.145 -21.122 -4.763 1.00 0.00 C ATOM 184 C GLU A 15 2.441 -20.596 -4.140 1.00 0.00 C ATOM 185 O GLU A 15 2.440 -19.862 -3.173 1.00 0.00 O ATOM 186 CB GLU A 15 0.072 -20.021 -4.802 1.00 0.00 C ATOM 187 CG GLU A 15 -1.121 -20.455 -5.670 1.00 0.00 C ATOM 188 CD GLU A 15 -0.695 -20.533 -7.140 1.00 0.00 C ATOM 189 OE1 GLU A 15 -0.130 -21.542 -7.528 1.00 0.00 O ATOM 190 OE2 GLU A 15 -0.949 -19.576 -7.856 1.00 0.00 O ATOM 0 H GLU A 15 -0.043 -22.127 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 15 1.331 -21.425 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.269 -19.802 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.502 -19.101 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.490 -21.425 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.941 -19.746 -5.557 1.00 0.00 H new ATOM 197 N GLU A 16 3.546 -20.987 -4.709 1.00 0.00 N ATOM 198 CA GLU A 16 4.884 -20.551 -4.211 1.00 0.00 C ATOM 199 C GLU A 16 5.050 -19.038 -4.411 1.00 0.00 C ATOM 200 O GLU A 16 5.883 -18.394 -3.810 1.00 0.00 O ATOM 201 CB GLU A 16 5.952 -21.294 -5.009 1.00 0.00 C ATOM 202 CG GLU A 16 7.319 -21.133 -4.341 1.00 0.00 C ATOM 203 CD GLU A 16 7.416 -22.075 -3.140 1.00 0.00 C ATOM 204 OE1 GLU A 16 6.409 -22.678 -2.804 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.495 -22.184 -2.584 1.00 0.00 O ATOM 0 H GLU A 16 3.580 -21.606 -5.519 1.00 0.00 H new ATOM 0 HA GLU A 16 4.979 -20.774 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.695 -22.351 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.989 -20.908 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.112 -21.354 -5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.459 -20.101 -4.019 1.00 0.00 H new ATOM 212 N PHE A 17 4.274 -18.483 -5.282 1.00 0.00 N ATOM 213 CA PHE A 17 4.381 -17.029 -5.588 1.00 0.00 C ATOM 214 C PHE A 17 4.464 -16.174 -4.301 1.00 0.00 C ATOM 215 O PHE A 17 4.789 -15.004 -4.368 1.00 0.00 O ATOM 216 CB PHE A 17 3.146 -16.649 -6.450 1.00 0.00 C ATOM 217 CG PHE A 17 2.655 -15.246 -6.143 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.453 -14.132 -6.430 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.407 -15.073 -5.526 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.003 -12.850 -6.095 1.00 0.00 C ATOM 221 CE2 PHE A 17 0.953 -13.794 -5.204 1.00 0.00 C ATOM 222 CZ PHE A 17 1.750 -12.682 -5.483 1.00 0.00 C ATOM 0 H PHE A 17 3.554 -18.978 -5.809 1.00 0.00 H new ATOM 0 HA PHE A 17 5.302 -16.826 -6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.404 -16.721 -7.507 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.343 -17.363 -6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.413 -14.262 -6.908 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.795 -15.934 -5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.620 -11.989 -6.307 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.013 -13.664 -4.740 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.403 -11.692 -5.228 1.00 0.00 H new ATOM 232 N PHE A 18 4.215 -16.712 -3.132 1.00 0.00 N ATOM 233 CA PHE A 18 4.310 -15.837 -1.923 1.00 0.00 C ATOM 234 C PHE A 18 5.781 -15.629 -1.542 1.00 0.00 C ATOM 235 O PHE A 18 6.268 -14.518 -1.522 1.00 0.00 O ATOM 236 CB PHE A 18 3.570 -16.488 -0.749 1.00 0.00 C ATOM 237 CG PHE A 18 2.209 -16.904 -1.224 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.317 -15.944 -1.708 1.00 0.00 C ATOM 239 CD2 PHE A 18 1.839 -18.245 -1.190 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.055 -16.323 -2.155 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.581 -18.630 -1.634 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.315 -17.667 -2.123 1.00 0.00 C ATOM 0 H PHE A 18 3.959 -17.685 -2.964 1.00 0.00 H new ATOM 0 HA PHE A 18 3.855 -14.873 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.125 -17.352 -0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.485 -15.788 0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.608 -14.904 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.531 -18.987 -0.818 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.635 -15.579 -2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.292 -19.670 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.291 -17.967 -2.475 1.00 0.00 H new ATOM 252 N ARG A 19 6.513 -16.661 -1.272 1.00 0.00 N ATOM 253 CA ARG A 19 7.942 -16.455 -0.907 1.00 0.00 C ATOM 254 C ARG A 19 8.689 -15.780 -2.088 1.00 0.00 C ATOM 255 O ARG A 19 9.655 -15.067 -1.881 1.00 0.00 O ATOM 256 CB ARG A 19 8.610 -17.797 -0.550 1.00 0.00 C ATOM 257 CG ARG A 19 8.002 -18.936 -1.385 1.00 0.00 C ATOM 258 CD ARG A 19 6.820 -19.592 -0.646 1.00 0.00 C ATOM 259 NE ARG A 19 7.336 -20.702 0.194 1.00 0.00 N ATOM 260 CZ ARG A 19 6.583 -21.217 1.122 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.355 -20.791 1.281 1.00 0.00 N ATOM 262 NH2 ARG A 19 7.048 -22.169 1.879 1.00 0.00 N ATOM 0 H ARG A 19 6.195 -17.630 -1.286 1.00 0.00 H new ATOM 0 HA ARG A 19 7.993 -15.806 -0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.683 -17.736 -0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.478 -18.005 0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.664 -18.547 -2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.765 -19.685 -1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.308 -18.856 -0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.090 -19.969 -1.362 1.00 0.00 H new ATOM 0 HE ARG A 19 8.279 -21.060 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.988 -20.055 0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.765 -21.195 2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.000 -22.509 1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.460 -22.575 2.607 1.00 0.00 H new ATOM 276 N LYS A 20 8.281 -16.011 -3.314 1.00 0.00 N ATOM 277 CA LYS A 20 8.999 -15.383 -4.468 1.00 0.00 C ATOM 278 C LYS A 20 8.950 -13.858 -4.367 1.00 0.00 C ATOM 279 O LYS A 20 9.925 -13.189 -4.651 1.00 0.00 O ATOM 280 CB LYS A 20 8.386 -15.828 -5.801 1.00 0.00 C ATOM 281 CG LYS A 20 8.613 -17.332 -6.001 1.00 0.00 C ATOM 282 CD LYS A 20 8.191 -17.752 -7.412 1.00 0.00 C ATOM 283 CE LYS A 20 8.387 -19.260 -7.553 1.00 0.00 C ATOM 284 NZ LYS A 20 9.838 -19.558 -7.496 1.00 0.00 N ATOM 0 H LYS A 20 7.488 -16.602 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 20 10.038 -15.711 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.319 -15.607 -5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.836 -15.271 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.664 -17.572 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.043 -17.894 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.148 -17.488 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.784 -17.222 -8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.862 -19.786 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.966 -19.609 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.022 -20.476 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.365 -18.814 -7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.147 -19.593 -6.503 1.00 0.00 H new ATOM 298 N LEU A 21 7.825 -13.294 -3.977 1.00 0.00 N ATOM 299 CA LEU A 21 7.727 -11.795 -3.870 1.00 0.00 C ATOM 300 C LEU A 21 7.081 -11.387 -2.551 1.00 0.00 C ATOM 301 O LEU A 21 7.339 -10.314 -2.044 1.00 0.00 O ATOM 302 CB LEU A 21 6.874 -11.240 -5.011 1.00 0.00 C ATOM 303 CG LEU A 21 7.571 -11.431 -6.355 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.638 -10.919 -7.452 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.901 -10.647 -6.384 1.00 0.00 C ATOM 0 H LEU A 21 6.976 -13.802 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 21 8.739 -11.393 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.906 -11.742 -5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.681 -10.180 -4.844 1.00 0.00 H new ATOM 0 HG LEU A 21 7.795 -12.486 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.115 -11.045 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.706 -11.483 -7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.427 -9.863 -7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.388 -10.792 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.701 -9.586 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.554 -11.009 -5.590 1.00 0.00 H new ATOM 317 N SER A 22 6.237 -12.197 -1.986 1.00 0.00 N ATOM 318 CA SER A 22 5.606 -11.789 -0.702 1.00 0.00 C ATOM 319 C SER A 22 6.618 -11.958 0.441 1.00 0.00 C ATOM 320 O SER A 22 6.474 -12.793 1.314 1.00 0.00 O ATOM 321 CB SER A 22 4.339 -12.613 -0.446 1.00 0.00 C ATOM 322 OG SER A 22 4.698 -13.879 0.085 1.00 0.00 O ATOM 0 H SER A 22 5.959 -13.109 -2.348 1.00 0.00 H new ATOM 0 HA SER A 22 5.314 -10.740 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.685 -12.087 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.781 -12.741 -1.374 1.00 0.00 H new ATOM 0 HG SER A 22 5.201 -13.754 0.917 1.00 0.00 H new ATOM 328 N ARG A 23 7.648 -11.144 0.421 1.00 0.00 N ATOM 329 CA ARG A 23 8.710 -11.176 1.472 1.00 0.00 C ATOM 330 C ARG A 23 9.189 -9.740 1.708 1.00 0.00 C ATOM 331 O ARG A 23 8.764 -8.821 1.026 1.00 0.00 O ATOM 332 CB ARG A 23 9.899 -12.020 1.001 1.00 0.00 C ATOM 333 CG ARG A 23 10.540 -11.369 -0.232 1.00 0.00 C ATOM 334 CD ARG A 23 11.537 -12.343 -0.847 1.00 0.00 C ATOM 335 NE ARG A 23 12.431 -12.875 0.233 1.00 0.00 N ATOM 336 CZ ARG A 23 13.176 -12.088 0.968 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.307 -10.826 0.672 1.00 0.00 N ATOM 338 NH2 ARG A 23 13.838 -12.582 1.981 1.00 0.00 N ATOM 0 H ARG A 23 7.798 -10.440 -0.302 1.00 0.00 H new ATOM 0 HA ARG A 23 8.307 -11.611 2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.634 -12.108 1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.567 -13.030 0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.773 -11.106 -0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.043 -10.444 0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.010 -13.162 -1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.129 -11.842 -1.613 1.00 0.00 H new ATOM 0 HE ARG A 23 12.460 -13.881 0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.826 -10.440 -0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.890 -10.224 1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.773 -13.577 2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.420 -11.973 2.556 1.00 0.00 H new ATOM 352 N GLU A 24 10.079 -9.530 2.650 1.00 0.00 N ATOM 353 CA GLU A 24 10.591 -8.146 2.884 1.00 0.00 C ATOM 354 C GLU A 24 11.240 -7.654 1.591 1.00 0.00 C ATOM 355 O GLU A 24 12.177 -8.251 1.089 1.00 0.00 O ATOM 356 CB GLU A 24 11.615 -8.156 4.022 1.00 0.00 C ATOM 357 CG GLU A 24 12.761 -9.116 3.682 1.00 0.00 C ATOM 358 CD GLU A 24 13.518 -9.482 4.953 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.073 -10.384 5.647 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.532 -8.857 5.218 1.00 0.00 O ATOM 0 H GLU A 24 10.468 -10.250 3.259 1.00 0.00 H new ATOM 0 HA GLU A 24 9.774 -7.482 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.006 -7.151 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.136 -8.462 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.367 -10.016 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.438 -8.651 2.965 1.00 0.00 H new ATOM 367 N CYS A 25 10.736 -6.584 1.031 1.00 0.00 N ATOM 368 CA CYS A 25 11.306 -6.054 -0.253 1.00 0.00 C ATOM 369 C CYS A 25 11.501 -4.540 -0.171 1.00 0.00 C ATOM 370 O CYS A 25 10.899 -3.856 0.634 1.00 0.00 O ATOM 371 CB CYS A 25 10.340 -6.338 -1.410 1.00 0.00 C ATOM 372 SG CYS A 25 10.179 -8.121 -1.672 1.00 0.00 S ATOM 0 H CYS A 25 9.952 -6.050 1.406 1.00 0.00 H new ATOM 0 HA CYS A 25 12.264 -6.545 -0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.363 -5.906 -1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.703 -5.861 -2.321 1.00 0.00 H new ATOM 0 HG CYS A 25 9.578 -8.657 -0.651 1.00 0.00 H new ATOM 378 N GLU A 26 12.306 -4.012 -1.048 1.00 0.00 N ATOM 379 CA GLU A 26 12.519 -2.544 -1.087 1.00 0.00 C ATOM 380 C GLU A 26 11.323 -1.922 -1.815 1.00 0.00 C ATOM 381 O GLU A 26 10.771 -2.516 -2.724 1.00 0.00 O ATOM 382 CB GLU A 26 13.815 -2.247 -1.849 1.00 0.00 C ATOM 383 CG GLU A 26 15.000 -2.869 -1.096 1.00 0.00 C ATOM 384 CD GLU A 26 16.311 -2.588 -1.844 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.289 -1.792 -2.767 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.316 -3.178 -1.478 1.00 0.00 O ATOM 0 H GLU A 26 12.829 -4.542 -1.745 1.00 0.00 H new ATOM 0 HA GLU A 26 12.602 -2.130 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.758 -2.653 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.955 -1.170 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.054 -2.460 -0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.853 -3.944 -0.997 1.00 0.00 H new ATOM 393 N ILE A 27 10.904 -0.746 -1.428 1.00 0.00 N ATOM 394 CA ILE A 27 9.735 -0.103 -2.098 1.00 0.00 C ATOM 395 C ILE A 27 10.079 1.352 -2.436 1.00 0.00 C ATOM 396 O ILE A 27 10.823 2.021 -1.728 1.00 0.00 O ATOM 397 CB ILE A 27 8.526 -0.181 -1.148 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.790 0.631 0.122 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.305 -1.643 -0.756 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.503 0.749 0.930 1.00 0.00 C ATOM 0 H ILE A 27 11.322 -0.201 -0.674 1.00 0.00 H new ATOM 0 HA ILE A 27 9.491 -0.617 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 27 7.649 0.223 -1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.564 0.149 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.160 1.623 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.451 -1.714 -0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.112 -2.234 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.195 -2.024 -0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.693 1.328 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.742 1.250 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.152 -0.246 1.203 1.00 0.00 H new ATOM 412 N LYS A 28 9.523 1.853 -3.512 1.00 0.00 N ATOM 413 CA LYS A 28 9.783 3.259 -3.932 1.00 0.00 C ATOM 414 C LYS A 28 8.469 3.861 -4.444 1.00 0.00 C ATOM 415 O LYS A 28 7.830 3.321 -5.339 1.00 0.00 O ATOM 416 CB LYS A 28 10.842 3.268 -5.043 1.00 0.00 C ATOM 417 CG LYS A 28 11.142 4.705 -5.480 1.00 0.00 C ATOM 418 CD LYS A 28 12.360 4.712 -6.419 1.00 0.00 C ATOM 419 CE LYS A 28 12.051 3.896 -7.686 1.00 0.00 C ATOM 420 NZ LYS A 28 12.850 4.420 -8.834 1.00 0.00 N ATOM 0 H LYS A 28 8.891 1.337 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 28 10.152 3.848 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.755 2.790 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.489 2.688 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.276 5.130 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.338 5.328 -4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.615 5.737 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.226 4.292 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.285 2.845 -7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.987 3.953 -7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.637 3.865 -9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.606 5.417 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.864 4.343 -8.615 1.00 0.00 H new ATOM 434 N TYR A 29 8.054 4.954 -3.853 1.00 0.00 N ATOM 435 CA TYR A 29 6.769 5.603 -4.250 1.00 0.00 C ATOM 436 C TYR A 29 6.811 6.104 -5.706 1.00 0.00 C ATOM 437 O TYR A 29 7.846 6.490 -6.216 1.00 0.00 O ATOM 438 CB TYR A 29 6.529 6.785 -3.318 1.00 0.00 C ATOM 439 CG TYR A 29 5.167 7.357 -3.571 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.992 8.355 -4.534 1.00 0.00 C ATOM 441 CD2 TYR A 29 4.078 6.896 -2.827 1.00 0.00 C ATOM 442 CE1 TYR A 29 3.716 8.885 -4.754 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.812 7.427 -3.050 1.00 0.00 C ATOM 444 CZ TYR A 29 2.632 8.421 -4.011 1.00 0.00 C ATOM 445 OH TYR A 29 1.380 8.937 -4.229 1.00 0.00 O ATOM 0 H TYR A 29 8.558 5.429 -3.104 1.00 0.00 H new ATOM 0 HA TYR A 29 5.966 4.870 -4.175 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.613 6.465 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.290 7.548 -3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.836 8.714 -5.104 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.219 6.129 -2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.571 9.653 -5.499 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.968 7.069 -2.479 1.00 0.00 H new ATOM 0 HH TYR A 29 0.738 8.504 -3.628 1.00 0.00 H new ATOM 455 N THR A 30 5.681 6.104 -6.378 1.00 0.00 N ATOM 456 CA THR A 30 5.646 6.580 -7.798 1.00 0.00 C ATOM 457 C THR A 30 5.526 8.111 -7.830 1.00 0.00 C ATOM 458 O THR A 30 4.617 8.675 -7.265 1.00 0.00 O ATOM 459 CB THR A 30 4.438 5.961 -8.517 1.00 0.00 C ATOM 460 OG1 THR A 30 4.475 4.548 -8.367 1.00 0.00 O ATOM 461 CG2 THR A 30 4.484 6.322 -10.003 1.00 0.00 C ATOM 0 H THR A 30 4.784 5.795 -6.004 1.00 0.00 H new ATOM 0 HA THR A 30 6.565 6.278 -8.300 1.00 0.00 H new ATOM 0 HB THR A 30 3.517 6.349 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.306 4.314 -7.431 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.626 5.882 -10.511 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.455 7.406 -10.115 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.404 5.936 -10.443 1.00 0.00 H new ATOM 469 N GLY A 31 6.427 8.791 -8.488 1.00 0.00 N ATOM 470 CA GLY A 31 6.333 10.283 -8.535 1.00 0.00 C ATOM 471 C GLY A 31 7.389 10.866 -9.482 1.00 0.00 C ATOM 472 O GLY A 31 8.228 10.156 -10.000 1.00 0.00 O ATOM 0 H GLY A 31 7.217 8.385 -8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.338 10.579 -8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.470 10.692 -7.534 1.00 0.00 H new ATOM 476 N PHE A 32 7.356 12.164 -9.702 1.00 0.00 N ATOM 477 CA PHE A 32 8.362 12.793 -10.611 1.00 0.00 C ATOM 478 C PHE A 32 9.653 13.104 -9.838 1.00 0.00 C ATOM 479 O PHE A 32 9.895 14.221 -9.430 1.00 0.00 O ATOM 480 CB PHE A 32 7.821 14.100 -11.184 1.00 0.00 C ATOM 481 CG PHE A 32 6.673 13.810 -12.116 1.00 0.00 C ATOM 482 CD1 PHE A 32 6.935 13.298 -13.389 1.00 0.00 C ATOM 483 CD2 PHE A 32 5.351 14.050 -11.715 1.00 0.00 C ATOM 484 CE1 PHE A 32 5.884 13.021 -14.265 1.00 0.00 C ATOM 485 CE2 PHE A 32 4.294 13.770 -12.595 1.00 0.00 C ATOM 486 CZ PHE A 32 4.564 13.253 -13.870 1.00 0.00 C ATOM 0 H PHE A 32 6.679 12.807 -9.292 1.00 0.00 H new ATOM 0 HA PHE A 32 8.568 12.092 -11.420 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.490 14.753 -10.376 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.611 14.629 -11.718 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.954 13.116 -13.697 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.147 14.449 -10.732 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.091 12.627 -15.249 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.274 13.953 -12.290 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.751 13.034 -14.547 1.00 0.00 H new ATOM 496 N ARG A 33 10.480 12.123 -9.660 1.00 0.00 N ATOM 497 CA ARG A 33 11.771 12.325 -8.945 1.00 0.00 C ATOM 498 C ARG A 33 12.612 13.393 -9.648 1.00 0.00 C ATOM 499 O ARG A 33 13.542 13.925 -9.082 1.00 0.00 O ATOM 500 CB ARG A 33 12.531 11.001 -8.934 1.00 0.00 C ATOM 501 CG ARG A 33 11.697 9.961 -8.187 1.00 0.00 C ATOM 502 CD ARG A 33 12.418 8.610 -8.205 1.00 0.00 C ATOM 503 NE ARG A 33 12.609 8.145 -9.633 1.00 0.00 N ATOM 504 CZ ARG A 33 11.591 7.964 -10.442 1.00 0.00 C ATOM 505 NH1 ARG A 33 10.370 8.008 -9.989 1.00 0.00 N ATOM 506 NH2 ARG A 33 11.793 7.683 -11.704 1.00 0.00 N ATOM 0 H ARG A 33 10.317 11.170 -9.984 1.00 0.00 H new ATOM 0 HA ARG A 33 11.574 12.658 -7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.724 10.668 -9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.500 11.126 -8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.533 10.283 -7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.715 9.866 -8.651 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.385 8.698 -7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.840 7.873 -7.648 1.00 0.00 H new ATOM 0 HE ARG A 33 13.553 7.968 -9.976 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.199 8.184 -8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.585 7.866 -10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.744 7.604 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.999 7.543 -12.329 1.00 0.00 H new ATOM 520 N ASP A 34 12.319 13.706 -10.882 1.00 0.00 N ATOM 521 CA ASP A 34 13.148 14.724 -11.575 1.00 0.00 C ATOM 522 C ASP A 34 12.826 16.109 -11.017 1.00 0.00 C ATOM 523 O ASP A 34 13.525 17.069 -11.275 1.00 0.00 O ATOM 524 CB ASP A 34 12.843 14.722 -13.069 1.00 0.00 C ATOM 525 CG ASP A 34 13.891 15.573 -13.792 1.00 0.00 C ATOM 526 OD1 ASP A 34 14.808 16.037 -13.130 1.00 0.00 O ATOM 527 OD2 ASP A 34 13.760 15.752 -14.989 1.00 0.00 O ATOM 0 H ASP A 34 11.556 13.308 -11.429 1.00 0.00 H new ATOM 0 HA ASP A 34 14.199 14.486 -11.415 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.855 13.702 -13.454 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.845 15.120 -13.250 1.00 0.00 H new ATOM 532 N ARG A 35 11.780 16.228 -10.249 1.00 0.00 N ATOM 533 CA ARG A 35 11.442 17.565 -9.683 1.00 0.00 C ATOM 534 C ARG A 35 12.347 17.835 -8.473 1.00 0.00 C ATOM 535 O ARG A 35 12.735 16.910 -7.784 1.00 0.00 O ATOM 536 CB ARG A 35 9.969 17.584 -9.250 1.00 0.00 C ATOM 537 CG ARG A 35 9.069 17.429 -10.483 1.00 0.00 C ATOM 538 CD ARG A 35 9.020 18.738 -11.282 1.00 0.00 C ATOM 539 NE ARG A 35 7.787 18.765 -12.112 1.00 0.00 N ATOM 540 CZ ARG A 35 7.374 19.890 -12.619 1.00 0.00 C ATOM 541 NH1 ARG A 35 8.037 20.983 -12.389 1.00 0.00 N ATOM 542 NH2 ARG A 35 6.287 19.917 -13.339 1.00 0.00 N ATOM 0 H ARG A 35 11.151 15.468 -9.990 1.00 0.00 H new ATOM 0 HA ARG A 35 11.598 18.338 -10.436 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.777 16.777 -8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.742 18.518 -8.737 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.444 16.624 -11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.063 17.148 -10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.034 19.591 -10.604 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.901 18.822 -11.918 1.00 0.00 H new ATOM 0 HE ARG A 35 7.267 17.905 -12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.878 20.958 -11.813 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.716 21.867 -12.785 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.763 19.058 -13.504 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.961 20.797 -13.738 1.00 0.00 H new ATOM 556 N PRO A 36 12.693 19.083 -8.208 1.00 0.00 N ATOM 557 CA PRO A 36 13.562 19.443 -7.051 1.00 0.00 C ATOM 558 C PRO A 36 13.198 18.663 -5.786 1.00 0.00 C ATOM 559 O PRO A 36 12.269 17.881 -5.756 1.00 0.00 O ATOM 560 CB PRO A 36 13.285 20.938 -6.849 1.00 0.00 C ATOM 561 CG PRO A 36 12.956 21.453 -8.212 1.00 0.00 C ATOM 562 CD PRO A 36 12.305 20.290 -8.975 1.00 0.00 C ATOM 0 HA PRO A 36 14.609 19.209 -7.242 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.459 21.097 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.153 21.448 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.278 22.304 -8.151 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.855 21.797 -8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.222 20.401 -9.020 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.663 20.239 -10.003 1.00 0.00 H new ATOM 570 N HIS A 37 13.910 18.888 -4.732 1.00 0.00 N ATOM 571 CA HIS A 37 13.592 18.182 -3.474 1.00 0.00 C ATOM 572 C HIS A 37 12.176 18.561 -3.049 1.00 0.00 C ATOM 573 O HIS A 37 11.584 17.937 -2.191 1.00 0.00 O ATOM 574 CB HIS A 37 14.603 18.605 -2.414 1.00 0.00 C ATOM 575 CG HIS A 37 14.449 20.075 -2.147 1.00 0.00 C ATOM 576 ND1 HIS A 37 14.986 21.047 -2.981 1.00 0.00 N ATOM 577 CD2 HIS A 37 13.791 20.753 -1.154 1.00 0.00 C ATOM 578 CE1 HIS A 37 14.638 22.244 -2.477 1.00 0.00 C ATOM 579 NE2 HIS A 37 13.911 22.124 -1.364 1.00 0.00 N ATOM 0 H HIS A 37 14.700 19.531 -4.685 1.00 0.00 H new ATOM 0 HA HIS A 37 13.645 17.101 -3.605 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.446 18.038 -1.497 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.616 18.388 -2.753 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.260 20.293 -0.333 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.914 23.190 -2.920 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.526 22.875 -0.791 1.00 0.00 H new ATOM 587 N GLU A 38 11.620 19.561 -3.669 1.00 0.00 N ATOM 588 CA GLU A 38 10.231 19.978 -3.325 1.00 0.00 C ATOM 589 C GLU A 38 9.283 18.798 -3.559 1.00 0.00 C ATOM 590 O GLU A 38 8.141 18.819 -3.147 1.00 0.00 O ATOM 591 CB GLU A 38 9.827 21.174 -4.203 1.00 0.00 C ATOM 592 CG GLU A 38 9.545 20.717 -5.640 1.00 0.00 C ATOM 593 CD GLU A 38 9.445 21.949 -6.544 1.00 0.00 C ATOM 594 OE1 GLU A 38 8.905 22.947 -6.095 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.922 21.877 -7.665 1.00 0.00 O ATOM 0 H GLU A 38 12.068 20.111 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 38 10.176 20.277 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.941 21.654 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.623 21.918 -4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.340 20.058 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.618 20.146 -5.678 1.00 0.00 H new ATOM 602 N GLU A 39 9.731 17.777 -4.241 1.00 0.00 N ATOM 603 CA GLU A 39 8.822 16.627 -4.509 1.00 0.00 C ATOM 604 C GLU A 39 8.554 15.840 -3.231 1.00 0.00 C ATOM 605 O GLU A 39 7.528 15.209 -3.092 1.00 0.00 O ATOM 606 CB GLU A 39 9.468 15.706 -5.548 1.00 0.00 C ATOM 607 CG GLU A 39 10.651 14.957 -4.919 1.00 0.00 C ATOM 608 CD GLU A 39 11.542 14.377 -6.015 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.506 14.886 -7.124 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.246 13.423 -5.728 1.00 0.00 O ATOM 0 H GLU A 39 10.674 17.690 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 39 7.874 17.010 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.733 14.994 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.809 16.290 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.228 15.634 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.285 14.157 -4.275 1.00 0.00 H new ATOM 617 N ARG A 40 9.451 15.855 -2.287 1.00 0.00 N ATOM 618 CA ARG A 40 9.186 15.075 -1.046 1.00 0.00 C ATOM 619 C ARG A 40 7.938 15.637 -0.345 1.00 0.00 C ATOM 620 O ARG A 40 7.015 14.907 -0.036 1.00 0.00 O ATOM 621 CB ARG A 40 10.422 15.164 -0.116 1.00 0.00 C ATOM 622 CG ARG A 40 10.519 16.566 0.496 1.00 0.00 C ATOM 623 CD ARG A 40 11.900 16.771 1.129 1.00 0.00 C ATOM 624 NE ARG A 40 11.853 17.920 2.094 1.00 0.00 N ATOM 625 CZ ARG A 40 11.366 19.084 1.751 1.00 0.00 C ATOM 626 NH1 ARG A 40 11.135 19.366 0.501 1.00 0.00 N ATOM 627 NH2 ARG A 40 11.182 20.000 2.655 1.00 0.00 N ATOM 0 H ARG A 40 10.337 16.360 -2.316 1.00 0.00 H new ATOM 0 HA ARG A 40 9.005 14.029 -1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.347 14.418 0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.328 14.941 -0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.348 17.319 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.742 16.697 1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.211 15.863 1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.640 16.966 0.353 1.00 0.00 H new ATOM 0 HE ARG A 40 12.210 17.789 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.334 18.675 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.755 20.277 0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.417 19.810 3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.802 20.909 2.390 1.00 0.00 H new ATOM 641 N GLN A 41 7.889 16.917 -0.096 1.00 0.00 N ATOM 642 CA GLN A 41 6.697 17.484 0.592 1.00 0.00 C ATOM 643 C GLN A 41 5.509 17.632 -0.350 1.00 0.00 C ATOM 644 O GLN A 41 4.406 17.240 -0.034 1.00 0.00 O ATOM 645 CB GLN A 41 7.067 18.847 1.168 1.00 0.00 C ATOM 646 CG GLN A 41 7.522 19.777 0.038 1.00 0.00 C ATOM 647 CD GLN A 41 8.219 20.998 0.637 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.013 20.870 1.550 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.953 22.185 0.165 1.00 0.00 N ATOM 0 H GLN A 41 8.617 17.589 -0.337 1.00 0.00 H new ATOM 0 HA GLN A 41 6.400 16.797 1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.210 19.279 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.863 18.738 1.905 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.201 19.249 -0.632 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.665 20.090 -0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.287 22.292 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.411 23.006 0.561 1.00 0.00 H new ATOM 658 N THR A 42 5.717 18.205 -1.492 1.00 0.00 N ATOM 659 CA THR A 42 4.596 18.417 -2.443 1.00 0.00 C ATOM 660 C THR A 42 3.982 17.074 -2.838 1.00 0.00 C ATOM 661 O THR A 42 2.783 16.948 -2.971 1.00 0.00 O ATOM 662 CB THR A 42 5.131 19.137 -3.677 1.00 0.00 C ATOM 663 OG1 THR A 42 5.689 20.387 -3.286 1.00 0.00 O ATOM 664 CG2 THR A 42 3.997 19.373 -4.671 1.00 0.00 C ATOM 0 H THR A 42 6.625 18.541 -1.814 1.00 0.00 H new ATOM 0 HA THR A 42 3.821 19.022 -1.973 1.00 0.00 H new ATOM 0 HB THR A 42 5.898 18.524 -4.150 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.648 20.278 -3.117 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.385 19.887 -5.550 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.570 18.416 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.225 19.985 -4.204 1.00 0.00 H new ATOM 672 N ARG A 43 4.772 16.068 -3.053 1.00 0.00 N ATOM 673 CA ARG A 43 4.163 14.766 -3.438 1.00 0.00 C ATOM 674 C ARG A 43 3.219 14.297 -2.332 1.00 0.00 C ATOM 675 O ARG A 43 2.168 13.762 -2.615 1.00 0.00 O ATOM 676 CB ARG A 43 5.237 13.698 -3.698 1.00 0.00 C ATOM 677 CG ARG A 43 4.592 12.462 -4.353 1.00 0.00 C ATOM 678 CD ARG A 43 4.467 12.673 -5.876 1.00 0.00 C ATOM 679 NE ARG A 43 3.284 11.935 -6.382 1.00 0.00 N ATOM 680 CZ ARG A 43 2.817 12.217 -7.560 1.00 0.00 C ATOM 681 NH1 ARG A 43 3.395 13.144 -8.273 1.00 0.00 N ATOM 682 NH2 ARG A 43 1.780 11.582 -8.024 1.00 0.00 N ATOM 0 H ARG A 43 5.789 16.084 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 43 3.605 14.910 -4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.015 14.101 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.718 13.416 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.194 11.577 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.607 12.284 -3.921 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.369 13.735 -6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.369 12.323 -6.378 1.00 0.00 H new ATOM 0 HE ARG A 43 2.843 11.214 -5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.206 13.640 -7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.036 13.373 -9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.331 10.859 -7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.417 11.807 -8.950 1.00 0.00 H new ATOM 696 N PHE A 44 3.566 14.454 -1.074 1.00 0.00 N ATOM 697 CA PHE A 44 2.634 13.964 -0.019 1.00 0.00 C ATOM 698 C PHE A 44 1.291 14.694 -0.074 1.00 0.00 C ATOM 699 O PHE A 44 0.256 14.061 -0.097 1.00 0.00 O ATOM 700 CB PHE A 44 3.254 14.146 1.380 1.00 0.00 C ATOM 701 CG PHE A 44 4.281 13.057 1.632 1.00 0.00 C ATOM 702 CD1 PHE A 44 3.911 11.701 1.592 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.612 13.408 1.895 1.00 0.00 C ATOM 704 CE1 PHE A 44 4.865 10.709 1.811 1.00 0.00 C ATOM 705 CE2 PHE A 44 6.570 12.411 2.113 1.00 0.00 C ATOM 706 CZ PHE A 44 6.194 11.060 2.068 1.00 0.00 C ATOM 0 H PHE A 44 4.428 14.887 -0.744 1.00 0.00 H new ATOM 0 HA PHE A 44 2.462 12.904 -0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.724 15.127 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.475 14.107 2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.886 11.428 1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.899 14.449 1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.578 9.668 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.596 12.681 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 44 6.933 10.289 2.232 1.00 0.00 H new ATOM 716 N GLN A 45 1.269 16.005 -0.097 1.00 0.00 N ATOM 717 CA GLN A 45 -0.059 16.682 -0.134 1.00 0.00 C ATOM 718 C GLN A 45 -0.793 16.297 -1.422 1.00 0.00 C ATOM 719 O GLN A 45 -1.885 15.780 -1.369 1.00 0.00 O ATOM 720 CB GLN A 45 0.060 18.225 -0.006 1.00 0.00 C ATOM 721 CG GLN A 45 1.404 18.727 -0.560 1.00 0.00 C ATOM 722 CD GLN A 45 2.458 18.793 0.549 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.215 19.739 0.627 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.542 17.819 1.412 1.00 0.00 N ATOM 0 H GLN A 45 2.085 16.616 -0.092 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.633 16.343 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.759 18.701 -0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.036 18.514 1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.746 18.063 -1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.274 19.714 -1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.906 17.024 1.347 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.243 17.852 2.152 1.00 0.00 H new ATOM 733 N ASN A 46 -0.206 16.523 -2.574 1.00 0.00 N ATOM 734 CA ASN A 46 -0.904 16.150 -3.848 1.00 0.00 C ATOM 735 C ASN A 46 -1.229 14.646 -3.871 1.00 0.00 C ATOM 736 O ASN A 46 -2.216 14.229 -4.451 1.00 0.00 O ATOM 737 CB ASN A 46 -0.042 16.539 -5.071 1.00 0.00 C ATOM 738 CG ASN A 46 1.185 15.613 -5.245 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.243 14.535 -4.697 1.00 0.00 O ATOM 740 ND2 ASN A 46 2.187 16.006 -5.996 1.00 0.00 N ATOM 0 H ASN A 46 0.716 16.945 -2.688 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.843 16.702 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.655 16.499 -5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.296 17.569 -4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.003 15.405 -6.113 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.150 16.912 -6.463 1.00 0.00 H new ATOM 747 N ALA A 47 -0.430 13.824 -3.230 1.00 0.00 N ATOM 748 CA ALA A 47 -0.730 12.358 -3.231 1.00 0.00 C ATOM 749 C ALA A 47 -1.743 12.077 -2.138 1.00 0.00 C ATOM 750 O ALA A 47 -2.649 11.283 -2.291 1.00 0.00 O ATOM 751 CB ALA A 47 0.543 11.560 -2.938 1.00 0.00 C ATOM 0 H ALA A 47 0.405 14.101 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.119 12.066 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.313 10.494 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.290 11.772 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.934 11.844 -1.961 1.00 0.00 H new ATOM 757 N CYS A 48 -1.589 12.728 -1.030 1.00 0.00 N ATOM 758 CA CYS A 48 -2.532 12.525 0.082 1.00 0.00 C ATOM 759 C CYS A 48 -3.958 12.937 -0.315 1.00 0.00 C ATOM 760 O CYS A 48 -4.902 12.247 0.025 1.00 0.00 O ATOM 761 CB CYS A 48 -2.047 13.336 1.274 1.00 0.00 C ATOM 762 SG CYS A 48 -0.579 12.517 1.934 1.00 0.00 S ATOM 0 H CYS A 48 -0.842 13.398 -0.848 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.567 11.467 0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.812 14.357 0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.824 13.399 2.035 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.474 12.772 3.205 1.00 0.00 H new ATOM 768 N ARG A 49 -4.172 14.018 -1.048 1.00 0.00 N ATOM 769 CA ARG A 49 -5.592 14.334 -1.407 1.00 0.00 C ATOM 770 C ARG A 49 -6.108 13.207 -2.294 1.00 0.00 C ATOM 771 O ARG A 49 -7.136 12.624 -2.019 1.00 0.00 O ATOM 772 CB ARG A 49 -5.732 15.698 -2.117 1.00 0.00 C ATOM 773 CG ARG A 49 -4.465 16.023 -2.921 1.00 0.00 C ATOM 774 CD ARG A 49 -4.811 16.871 -4.164 1.00 0.00 C ATOM 775 NE ARG A 49 -5.111 15.988 -5.329 1.00 0.00 N ATOM 776 CZ ARG A 49 -5.687 16.499 -6.388 1.00 0.00 C ATOM 777 NH1 ARG A 49 -5.978 17.771 -6.420 1.00 0.00 N ATOM 778 NH2 ARG A 49 -5.947 15.753 -7.426 1.00 0.00 N ATOM 0 H ARG A 49 -3.461 14.662 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.182 14.410 -0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.596 15.681 -2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.912 16.481 -1.380 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.757 16.563 -2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.977 15.099 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.670 17.507 -3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.978 17.531 -4.405 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.870 14.997 -5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.757 18.365 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.427 18.171 -7.244 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.701 14.763 -7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.396 16.160 -8.247 1.00 0.00 H new ATOM 792 N ASP A 50 -5.362 12.832 -3.303 1.00 0.00 N ATOM 793 CA ASP A 50 -5.782 11.678 -4.140 1.00 0.00 C ATOM 794 C ASP A 50 -5.083 10.484 -3.530 1.00 0.00 C ATOM 795 O ASP A 50 -3.974 10.138 -3.875 1.00 0.00 O ATOM 796 CB ASP A 50 -5.366 11.857 -5.601 1.00 0.00 C ATOM 797 CG ASP A 50 -3.952 12.431 -5.693 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.023 11.700 -5.416 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.830 13.591 -6.051 1.00 0.00 O ATOM 0 H ASP A 50 -4.486 13.275 -3.579 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.866 11.567 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.409 10.898 -6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.067 12.522 -6.105 1.00 0.00 H new ATOM 804 N GLY A 51 -5.729 9.900 -2.568 1.00 0.00 N ATOM 805 CA GLY A 51 -5.140 8.758 -1.819 1.00 0.00 C ATOM 806 C GLY A 51 -4.999 7.529 -2.710 1.00 0.00 C ATOM 807 O GLY A 51 -4.957 6.409 -2.238 1.00 0.00 O ATOM 0 H GLY A 51 -6.663 10.171 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.163 9.041 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.769 8.519 -0.962 1.00 0.00 H new ATOM 811 N ARG A 52 -4.866 7.731 -3.989 1.00 0.00 N ATOM 812 CA ARG A 52 -4.662 6.577 -4.909 1.00 0.00 C ATOM 813 C ARG A 52 -3.157 6.457 -5.121 1.00 0.00 C ATOM 814 O ARG A 52 -2.608 6.952 -6.089 1.00 0.00 O ATOM 815 CB ARG A 52 -5.337 6.856 -6.253 1.00 0.00 C ATOM 816 CG ARG A 52 -6.839 7.060 -6.048 1.00 0.00 C ATOM 817 CD ARG A 52 -7.511 7.302 -7.395 1.00 0.00 C ATOM 818 NE ARG A 52 -6.892 8.480 -8.042 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.150 8.729 -9.291 1.00 0.00 C ATOM 820 NH1 ARG A 52 -7.957 7.947 -9.951 1.00 0.00 N ATOM 821 NH2 ARG A 52 -6.595 9.745 -9.888 1.00 0.00 N ATOM 0 H ARG A 52 -4.890 8.646 -4.439 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.087 5.664 -4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.900 7.743 -6.712 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.164 6.025 -6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.273 6.184 -5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.014 7.908 -5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.403 6.424 -8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.580 7.467 -7.258 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.269 9.090 -7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.382 7.144 -9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.163 8.138 -10.932 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.954 10.350 -9.375 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.801 9.935 -10.869 1.00 0.00 H new ATOM 835 N SER A 53 -2.489 5.823 -4.202 1.00 0.00 N ATOM 836 CA SER A 53 -1.010 5.670 -4.304 1.00 0.00 C ATOM 837 C SER A 53 -0.648 4.527 -5.230 1.00 0.00 C ATOM 838 O SER A 53 -1.257 3.476 -5.196 1.00 0.00 O ATOM 839 CB SER A 53 -0.414 5.372 -2.929 1.00 0.00 C ATOM 840 OG SER A 53 0.972 5.100 -3.075 1.00 0.00 O ATOM 0 H SER A 53 -2.908 5.399 -3.374 1.00 0.00 H new ATOM 0 HA SER A 53 -0.609 6.604 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.563 6.221 -2.262 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.919 4.519 -2.476 1.00 0.00 H new ATOM 0 HG SER A 53 1.425 5.893 -3.431 1.00 0.00 H new ATOM 846 N GLU A 54 0.389 4.700 -6.006 1.00 0.00 N ATOM 847 CA GLU A 54 0.872 3.602 -6.891 1.00 0.00 C ATOM 848 C GLU A 54 2.317 3.352 -6.467 1.00 0.00 C ATOM 849 O GLU A 54 3.088 4.277 -6.344 1.00 0.00 O ATOM 850 CB GLU A 54 0.809 4.044 -8.354 1.00 0.00 C ATOM 851 CG GLU A 54 -0.649 4.325 -8.721 1.00 0.00 C ATOM 852 CD GLU A 54 -0.759 4.769 -10.179 1.00 0.00 C ATOM 853 OE1 GLU A 54 -0.140 5.760 -10.526 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.470 4.114 -10.921 1.00 0.00 O ATOM 0 H GLU A 54 0.927 5.565 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 54 0.264 2.701 -6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.415 4.937 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.218 3.268 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.249 3.429 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.052 5.099 -8.068 1.00 0.00 H new ATOM 861 N ILE A 55 2.698 2.133 -6.213 1.00 0.00 N ATOM 862 CA ILE A 55 4.107 1.887 -5.764 1.00 0.00 C ATOM 863 C ILE A 55 4.572 0.524 -6.244 1.00 0.00 C ATOM 864 O ILE A 55 3.776 -0.325 -6.597 1.00 0.00 O ATOM 865 CB ILE A 55 4.181 1.982 -4.238 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.554 1.497 -3.723 1.00 0.00 C ATOM 867 CG2 ILE A 55 3.060 1.142 -3.616 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.846 2.062 -2.309 1.00 0.00 C ATOM 0 H ILE A 55 2.110 1.304 -6.293 1.00 0.00 H new ATOM 0 HA ILE A 55 4.765 2.643 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 55 4.058 3.025 -3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.572 0.408 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.337 1.811 -4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.114 1.211 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.094 1.516 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.174 0.101 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.818 1.706 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.851 3.151 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.074 1.726 -1.617 1.00 0.00 H new ATOM 880 N ALA A 56 5.860 0.318 -6.303 1.00 0.00 N ATOM 881 CA ALA A 56 6.371 -0.993 -6.817 1.00 0.00 C ATOM 882 C ALA A 56 7.630 -1.438 -6.086 1.00 0.00 C ATOM 883 O ALA A 56 8.265 -0.679 -5.383 1.00 0.00 O ATOM 884 CB ALA A 56 6.685 -0.834 -8.298 1.00 0.00 C ATOM 0 H ALA A 56 6.575 0.989 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 56 5.606 -1.752 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.059 -1.778 -8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.779 -0.550 -8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.442 -0.060 -8.428 1.00 0.00 H new ATOM 890 N PHE A 57 7.999 -2.680 -6.273 1.00 0.00 N ATOM 891 CA PHE A 57 9.225 -3.206 -5.615 1.00 0.00 C ATOM 892 C PHE A 57 10.420 -2.866 -6.507 1.00 0.00 C ATOM 893 O PHE A 57 10.443 -3.209 -7.667 1.00 0.00 O ATOM 894 CB PHE A 57 9.129 -4.747 -5.475 1.00 0.00 C ATOM 895 CG PHE A 57 8.002 -5.143 -4.540 1.00 0.00 C ATOM 896 CD1 PHE A 57 8.004 -4.695 -3.218 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.958 -5.974 -4.992 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.968 -5.065 -2.345 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.927 -6.345 -4.115 1.00 0.00 C ATOM 900 CZ PHE A 57 5.934 -5.886 -2.795 1.00 0.00 C ATOM 0 H PHE A 57 7.500 -3.352 -6.856 1.00 0.00 H new ATOM 0 HA PHE A 57 9.336 -2.763 -4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.966 -5.195 -6.455 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.073 -5.140 -5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.805 -4.062 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.951 -6.325 -6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.972 -4.713 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.128 -6.985 -4.460 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.137 -6.167 -2.122 1.00 0.00 H new ATOM 910 N VAL A 58 11.402 -2.181 -5.998 1.00 0.00 N ATOM 911 CA VAL A 58 12.557 -1.826 -6.866 1.00 0.00 C ATOM 912 C VAL A 58 13.215 -3.111 -7.402 1.00 0.00 C ATOM 913 O VAL A 58 13.618 -3.179 -8.545 1.00 0.00 O ATOM 914 CB VAL A 58 13.575 -1.016 -6.061 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.755 -0.644 -6.957 1.00 0.00 C ATOM 916 CG2 VAL A 58 12.915 0.257 -5.529 1.00 0.00 C ATOM 0 H VAL A 58 11.457 -1.855 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 58 12.208 -1.226 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 58 13.931 -1.615 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.480 -0.067 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.228 -1.552 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.400 -0.047 -7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.643 0.832 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.556 0.857 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.076 -0.009 -4.886 1.00 0.00 H new ATOM 926 N ALA A 59 13.332 -4.127 -6.592 1.00 0.00 N ATOM 927 CA ALA A 59 13.966 -5.394 -7.068 1.00 0.00 C ATOM 928 C ALA A 59 13.188 -6.004 -8.247 1.00 0.00 C ATOM 929 O ALA A 59 13.778 -6.496 -9.190 1.00 0.00 O ATOM 930 CB ALA A 59 14.001 -6.401 -5.923 1.00 0.00 C ATOM 0 H ALA A 59 13.017 -4.137 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 59 14.976 -5.161 -7.405 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.463 -7.327 -6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.581 -5.991 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.984 -6.606 -5.587 1.00 0.00 H new ATOM 936 N THR A 60 11.870 -6.005 -8.191 1.00 0.00 N ATOM 937 CA THR A 60 11.051 -6.614 -9.301 1.00 0.00 C ATOM 938 C THR A 60 10.226 -5.536 -9.997 1.00 0.00 C ATOM 939 O THR A 60 9.794 -4.575 -9.399 1.00 0.00 O ATOM 940 CB THR A 60 10.088 -7.661 -8.727 1.00 0.00 C ATOM 941 OG1 THR A 60 10.791 -8.520 -7.839 1.00 0.00 O ATOM 942 CG2 THR A 60 9.490 -8.490 -9.870 1.00 0.00 C ATOM 0 H THR A 60 11.326 -5.610 -7.424 1.00 0.00 H new ATOM 0 HA THR A 60 11.732 -7.080 -10.013 1.00 0.00 H new ATOM 0 HB THR A 60 9.288 -7.156 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.870 -9.411 -8.239 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.806 -9.234 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.948 -7.834 -10.551 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.291 -8.993 -10.412 1.00 0.00 H new ATOM 950 N GLY A 61 9.997 -5.693 -11.263 1.00 0.00 N ATOM 951 CA GLY A 61 9.195 -4.683 -11.999 1.00 0.00 C ATOM 952 C GLY A 61 7.717 -4.801 -11.599 1.00 0.00 C ATOM 953 O GLY A 61 6.877 -4.072 -12.085 1.00 0.00 O ATOM 0 H GLY A 61 10.330 -6.478 -11.823 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.563 -3.681 -11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.304 -4.831 -13.073 1.00 0.00 H new ATOM 957 N THR A 62 7.389 -5.713 -10.723 1.00 0.00 N ATOM 958 CA THR A 62 5.959 -5.870 -10.321 1.00 0.00 C ATOM 959 C THR A 62 5.466 -4.592 -9.632 1.00 0.00 C ATOM 960 O THR A 62 6.218 -3.914 -8.957 1.00 0.00 O ATOM 961 CB THR A 62 5.825 -7.037 -9.341 1.00 0.00 C ATOM 962 OG1 THR A 62 6.172 -8.248 -9.997 1.00 0.00 O ATOM 963 CG2 THR A 62 4.375 -7.115 -8.835 1.00 0.00 C ATOM 0 H THR A 62 8.043 -6.352 -10.271 1.00 0.00 H new ATOM 0 HA THR A 62 5.363 -6.061 -11.213 1.00 0.00 H new ATOM 0 HB THR A 62 6.494 -6.883 -8.494 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.088 -8.996 -9.369 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.278 -7.946 -8.137 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.115 -6.184 -8.330 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.703 -7.270 -9.679 1.00 0.00 H new ATOM 971 N ASN A 63 4.203 -4.257 -9.790 1.00 0.00 N ATOM 972 CA ASN A 63 3.658 -3.022 -9.145 1.00 0.00 C ATOM 973 C ASN A 63 2.286 -3.312 -8.528 1.00 0.00 C ATOM 974 O ASN A 63 1.537 -4.138 -9.011 1.00 0.00 O ATOM 975 CB ASN A 63 3.513 -1.912 -10.198 1.00 0.00 C ATOM 976 CG ASN A 63 2.440 -2.299 -11.223 1.00 0.00 C ATOM 977 OD1 ASN A 63 2.750 -2.765 -12.304 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.182 -2.107 -10.929 1.00 0.00 N ATOM 0 H ASN A 63 3.528 -4.789 -10.339 1.00 0.00 H new ATOM 0 HA ASN A 63 4.345 -2.701 -8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.244 -0.973 -9.714 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.466 -1.749 -10.701 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.458 -2.348 -11.606 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.924 -1.716 -10.023 1.00 0.00 H new ATOM 985 N LEU A 64 1.954 -2.615 -7.469 1.00 0.00 N ATOM 986 CA LEU A 64 0.623 -2.810 -6.803 1.00 0.00 C ATOM 987 C LEU A 64 -0.041 -1.444 -6.611 1.00 0.00 C ATOM 988 O LEU A 64 0.590 -0.498 -6.183 1.00 0.00 O ATOM 989 CB LEU A 64 0.796 -3.482 -5.422 1.00 0.00 C ATOM 990 CG LEU A 64 1.238 -4.958 -5.573 1.00 0.00 C ATOM 991 CD1 LEU A 64 2.769 -5.063 -5.603 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.708 -5.777 -4.395 1.00 0.00 C ATOM 0 H LEU A 64 2.551 -1.913 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 64 0.006 -3.452 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.536 -2.935 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.143 -3.435 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 64 0.835 -5.344 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.060 -6.108 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.157 -4.491 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.179 -4.665 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.021 -6.816 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.106 -5.374 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.381 -5.726 -4.377 1.00 0.00 H new ATOM 1004 N SER A 65 -1.316 -1.339 -6.917 1.00 0.00 N ATOM 1005 CA SER A 65 -2.048 -0.033 -6.751 1.00 0.00 C ATOM 1006 C SER A 65 -3.049 -0.152 -5.585 1.00 0.00 C ATOM 1007 O SER A 65 -3.681 -1.172 -5.407 1.00 0.00 O ATOM 1008 CB SER A 65 -2.809 0.311 -8.040 1.00 0.00 C ATOM 1009 OG SER A 65 -1.874 0.486 -9.099 1.00 0.00 O ATOM 0 H SER A 65 -1.886 -2.105 -7.277 1.00 0.00 H new ATOM 0 HA SER A 65 -1.326 0.756 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.511 -0.485 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.394 1.220 -7.900 1.00 0.00 H new ATOM 0 HG SER A 65 -2.353 0.704 -9.926 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.199 0.885 -4.781 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.178 0.807 -3.636 1.00 0.00 C ATOM 1017 C LEU A 66 -4.839 2.176 -3.383 1.00 0.00 C ATOM 1018 O LEU A 66 -4.413 3.201 -3.894 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.493 0.311 -2.338 1.00 0.00 C ATOM 1020 CG LEU A 66 -2.042 0.815 -2.236 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.551 0.595 -0.795 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -1.115 0.062 -3.229 1.00 0.00 C ATOM 0 H LEU A 66 -2.695 1.768 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.947 0.088 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.060 0.654 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.503 -0.779 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.013 1.874 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.523 0.946 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.187 1.150 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.594 -0.467 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.097 0.440 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.129 -1.004 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.467 0.222 -4.248 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.887 2.182 -2.587 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.617 3.452 -2.277 1.00 0.00 C ATOM 1036 C GLN A 67 -7.068 3.435 -0.812 1.00 0.00 C ATOM 1037 O GLN A 67 -7.894 2.633 -0.419 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.862 3.560 -3.161 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.465 3.406 -4.626 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.646 3.800 -5.509 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -8.493 3.999 -6.698 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -9.824 3.935 -4.969 1.00 0.00 N ATOM 0 H GLN A 67 -6.269 1.351 -2.136 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.953 4.297 -2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.583 2.790 -2.886 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.349 4.523 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.603 4.034 -4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.171 2.376 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.950 3.767 -3.971 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.621 4.208 -5.545 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.531 4.318 -0.003 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.923 4.368 1.448 1.00 0.00 C ATOM 1053 C PHE A 68 -8.071 5.364 1.668 1.00 0.00 C ATOM 1054 O PHE A 68 -9.213 4.986 1.819 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.702 4.773 2.303 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.773 5.632 1.483 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -4.019 5.033 0.474 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.666 7.007 1.720 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -3.155 5.808 -0.306 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.799 7.783 0.941 1.00 0.00 C ATOM 1061 CZ PHE A 68 -3.044 7.183 -0.072 1.00 0.00 C ATOM 0 H PHE A 68 -5.836 5.010 -0.283 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.265 3.378 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.030 5.317 3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.178 3.883 2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.102 3.971 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.251 7.469 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.573 5.345 -1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.713 8.844 1.122 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.375 7.781 -0.674 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.761 6.636 1.704 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.813 7.683 1.934 1.00 0.00 C ATOM 1073 C PHE A 69 -8.502 8.905 1.060 1.00 0.00 C ATOM 1074 O PHE A 69 -7.816 9.812 1.487 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.791 8.105 3.413 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.838 9.178 3.658 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -11.201 8.883 3.524 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.440 10.476 4.011 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -12.160 9.886 3.743 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.397 11.471 4.230 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.755 11.179 4.095 1.00 0.00 C ATOM 0 H PHE A 69 -6.816 7.000 1.583 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.794 7.283 1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.986 7.242 4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.803 8.481 3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.514 7.886 3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.390 10.707 4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.211 9.659 3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.085 12.468 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.493 11.950 4.262 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.980 8.928 -0.159 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.723 10.051 -1.095 1.00 0.00 C ATOM 1093 C PRO A 70 -9.768 11.167 -0.979 1.00 0.00 C ATOM 1094 O PRO A 70 -10.912 10.931 -0.642 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.803 9.353 -2.444 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.892 8.344 -2.263 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.818 7.897 -0.792 1.00 0.00 C ATOM 0 HA PRO A 70 -7.777 10.559 -0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.038 10.055 -3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.857 8.878 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.866 8.777 -2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.755 7.497 -2.935 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.807 7.850 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.375 6.906 -0.696 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.382 12.383 -1.258 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.352 13.511 -1.157 1.00 0.00 C ATOM 1107 C ALA A 71 -11.598 13.193 -1.991 1.00 0.00 C ATOM 1108 O ALA A 71 -12.716 13.392 -1.557 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.691 14.788 -1.688 1.00 0.00 C ATOM 0 H ALA A 71 -8.440 12.643 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.644 13.653 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.394 15.618 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.804 15.012 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.404 14.643 -2.729 1.00 0.00 H new ATOM 1115 N SER A 72 -11.411 12.681 -3.181 1.00 0.00 N ATOM 1116 CA SER A 72 -12.581 12.335 -4.040 1.00 0.00 C ATOM 1117 C SER A 72 -12.091 11.593 -5.290 1.00 0.00 C ATOM 1118 O SER A 72 -11.128 11.983 -5.923 1.00 0.00 O ATOM 1119 CB SER A 72 -13.323 13.612 -4.455 1.00 0.00 C ATOM 1120 OG SER A 72 -14.574 13.256 -5.027 1.00 0.00 O ATOM 0 H SER A 72 -10.498 12.488 -3.594 1.00 0.00 H new ATOM 0 HA SER A 72 -13.263 11.696 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.475 14.257 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.728 14.177 -5.173 1.00 0.00 H new ATOM 0 HG SER A 72 -15.263 13.885 -4.725 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.741 10.514 -5.646 1.00 0.00 N ATOM 1127 CA TRP A 73 -12.311 9.742 -6.848 1.00 0.00 C ATOM 1128 C TRP A 73 -12.914 10.359 -8.116 1.00 0.00 C ATOM 1129 O TRP A 73 -12.274 11.113 -8.819 1.00 0.00 O ATOM 1130 CB TRP A 73 -12.796 8.293 -6.700 1.00 0.00 C ATOM 1131 CG TRP A 73 -12.532 7.519 -7.957 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -11.645 7.874 -8.918 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -13.137 6.263 -8.407 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -11.661 6.923 -9.914 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -12.565 5.917 -9.652 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -14.115 5.400 -7.869 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -12.940 4.764 -10.335 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -14.494 4.233 -8.563 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -13.907 3.920 -9.794 1.00 0.00 C ATOM 0 H TRP A 73 -13.551 10.135 -5.155 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.224 9.768 -6.930 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.289 7.818 -5.860 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -13.863 8.282 -6.476 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.026 8.759 -8.905 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.073 6.959 -10.747 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.576 5.635 -6.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.482 4.524 -11.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.242 3.577 -8.142 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -14.203 3.026 -10.323 1.00 0.00 H new ATOM 1150 N GLN A 74 -14.149 10.046 -8.411 1.00 0.00 N ATOM 1151 CA GLN A 74 -14.789 10.622 -9.633 1.00 0.00 C ATOM 1152 C GLN A 74 -15.366 12.004 -9.319 1.00 0.00 C ATOM 1153 O GLN A 74 -15.774 12.733 -10.203 1.00 0.00 O ATOM 1154 CB GLN A 74 -15.917 9.698 -10.093 1.00 0.00 C ATOM 1155 CG GLN A 74 -15.335 8.340 -10.495 1.00 0.00 C ATOM 1156 CD GLN A 74 -16.455 7.409 -10.950 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -17.606 7.614 -10.623 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -16.160 6.377 -11.693 1.00 0.00 N ATOM 0 H GLN A 74 -14.740 9.421 -7.863 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.041 10.716 -10.420 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.646 9.570 -9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -16.445 10.143 -10.936 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.609 8.469 -11.298 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.803 7.899 -9.652 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.193 6.206 -11.967 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.897 5.742 -11.999 1.00 0.00 H new ATOM 1167 N GLY A 75 -15.415 12.365 -8.069 1.00 0.00 N ATOM 1168 CA GLY A 75 -15.979 13.695 -7.690 1.00 0.00 C ATOM 1169 C GLY A 75 -14.914 14.784 -7.840 1.00 0.00 C ATOM 1170 O GLY A 75 -13.834 14.542 -8.344 1.00 0.00 O ATOM 0 H GLY A 75 -15.088 11.796 -7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.838 13.927 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.337 13.666 -6.661 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.195 15.982 -7.383 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.182 17.078 -7.476 1.00 0.00 C ATOM 1176 C GLU A 76 -13.423 17.121 -6.161 1.00 0.00 C ATOM 1177 O GLU A 76 -13.930 17.570 -5.151 1.00 0.00 O ATOM 1178 CB GLU A 76 -14.861 18.439 -7.744 1.00 0.00 C ATOM 1179 CG GLU A 76 -16.147 18.592 -6.914 1.00 0.00 C ATOM 1180 CD GLU A 76 -16.867 19.873 -7.341 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -16.306 20.606 -8.137 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -17.967 20.102 -6.860 1.00 0.00 O ATOM 0 H GLU A 76 -16.080 16.246 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.503 16.884 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.170 19.247 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.097 18.528 -8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.796 17.729 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.907 18.632 -5.852 1.00 0.00 H new ATOM 1189 N GLN A 77 -12.212 16.639 -6.166 1.00 0.00 N ATOM 1190 CA GLN A 77 -11.410 16.632 -4.919 1.00 0.00 C ATOM 1191 C GLN A 77 -11.046 18.063 -4.555 1.00 0.00 C ATOM 1192 O GLN A 77 -10.896 18.923 -5.401 1.00 0.00 O ATOM 1193 CB GLN A 77 -10.130 15.796 -5.121 1.00 0.00 C ATOM 1194 CG GLN A 77 -9.633 15.915 -6.573 1.00 0.00 C ATOM 1195 CD GLN A 77 -9.590 17.387 -6.999 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -10.517 17.891 -7.597 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -8.545 18.109 -6.709 1.00 0.00 N ATOM 0 H GLN A 77 -11.745 16.249 -6.984 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.992 16.187 -4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.354 16.137 -4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.329 14.751 -4.883 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.640 15.474 -6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.292 15.356 -7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.761 17.693 -6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.511 19.090 -6.985 1.00 0.00 H new ATOM 1206 N ARG A 78 -10.892 18.321 -3.293 1.00 0.00 N ATOM 1207 CA ARG A 78 -10.523 19.687 -2.831 1.00 0.00 C ATOM 1208 C ARG A 78 -9.024 19.678 -2.510 1.00 0.00 C ATOM 1209 O ARG A 78 -8.395 18.639 -2.486 1.00 0.00 O ATOM 1210 CB ARG A 78 -11.356 20.024 -1.593 1.00 0.00 C ATOM 1211 CG ARG A 78 -12.839 19.991 -1.982 1.00 0.00 C ATOM 1212 CD ARG A 78 -13.696 20.438 -0.800 1.00 0.00 C ATOM 1213 NE ARG A 78 -13.486 21.899 -0.568 1.00 0.00 N ATOM 1214 CZ ARG A 78 -14.302 22.580 0.195 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -15.295 21.993 0.802 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -14.112 23.860 0.360 1.00 0.00 N ATOM 0 H ARG A 78 -11.007 17.635 -2.547 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.722 20.442 -3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.157 19.308 -0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.086 21.009 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.014 20.644 -2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.122 18.983 -2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.748 20.237 -1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.429 19.873 0.093 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.697 22.371 -1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.443 20.991 0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.924 22.536 1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.331 24.324 -0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.744 24.397 0.953 1.00 0.00 H new ATOM 1230 N GLN A 79 -8.438 20.827 -2.307 1.00 0.00 N ATOM 1231 CA GLN A 79 -6.974 20.872 -2.033 1.00 0.00 C ATOM 1232 C GLN A 79 -6.705 20.448 -0.600 1.00 0.00 C ATOM 1233 O GLN A 79 -5.589 20.498 -0.123 1.00 0.00 O ATOM 1234 CB GLN A 79 -6.439 22.290 -2.266 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.443 23.337 -1.766 1.00 0.00 C ATOM 1236 CD GLN A 79 -7.834 23.047 -0.312 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -7.197 23.522 0.606 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.862 22.280 -0.064 1.00 0.00 N ATOM 0 H GLN A 79 -8.908 21.732 -2.319 1.00 0.00 H new ATOM 0 HA GLN A 79 -6.465 20.186 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.488 22.415 -1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.246 22.442 -3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.007 24.333 -1.841 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.332 23.329 -2.397 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.398 21.880 -0.834 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.129 22.081 0.900 1.00 0.00 H new ATOM 1247 N THR A 80 -7.712 20.007 0.090 1.00 0.00 N ATOM 1248 CA THR A 80 -7.487 19.562 1.482 1.00 0.00 C ATOM 1249 C THR A 80 -6.926 18.129 1.427 1.00 0.00 C ATOM 1250 O THR A 80 -7.529 17.266 0.818 1.00 0.00 O ATOM 1251 CB THR A 80 -8.812 19.580 2.254 1.00 0.00 C ATOM 1252 OG1 THR A 80 -8.530 19.399 3.634 1.00 0.00 O ATOM 1253 CG2 THR A 80 -9.725 18.445 1.776 1.00 0.00 C ATOM 0 H THR A 80 -8.672 19.936 -0.247 1.00 0.00 H new ATOM 0 HA THR A 80 -6.787 20.225 1.991 1.00 0.00 H new ATOM 0 HB THR A 80 -9.317 20.531 2.085 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.367 19.410 4.143 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.661 18.472 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.932 18.568 0.713 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.232 17.487 1.941 1.00 0.00 H new ATOM 1261 N PRO A 81 -5.794 17.861 2.031 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.193 16.498 2.003 1.00 0.00 C ATOM 1263 C PRO A 81 -5.913 15.544 2.951 1.00 0.00 C ATOM 1264 O PRO A 81 -6.912 15.880 3.553 1.00 0.00 O ATOM 1265 CB PRO A 81 -3.752 16.732 2.474 1.00 0.00 C ATOM 1266 CG PRO A 81 -3.855 17.905 3.385 1.00 0.00 C ATOM 1267 CD PRO A 81 -4.959 18.796 2.808 1.00 0.00 C ATOM 0 HA PRO A 81 -5.260 16.038 1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.355 15.859 2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.086 16.936 1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.099 17.590 4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.908 18.442 3.437 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.532 19.284 3.596 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.548 19.585 2.177 1.00 0.00 H new ATOM 1275 N SER A 82 -5.397 14.358 3.104 1.00 0.00 N ATOM 1276 CA SER A 82 -6.035 13.392 4.027 1.00 0.00 C ATOM 1277 C SER A 82 -5.472 13.615 5.428 1.00 0.00 C ATOM 1278 O SER A 82 -4.292 13.466 5.675 1.00 0.00 O ATOM 1279 CB SER A 82 -5.736 11.967 3.565 1.00 0.00 C ATOM 1280 OG SER A 82 -6.037 11.060 4.613 1.00 0.00 O ATOM 0 H SER A 82 -4.561 14.019 2.628 1.00 0.00 H new ATOM 0 HA SER A 82 -7.115 13.538 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.327 11.728 2.681 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.687 11.877 3.281 1.00 0.00 H new ATOM 0 HG SER A 82 -6.849 11.354 5.077 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.306 14.006 6.342 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.830 14.241 7.724 1.00 0.00 C ATOM 1288 C ARG A 83 -5.208 12.978 8.260 1.00 0.00 C ATOM 1289 O ARG A 83 -4.264 13.003 9.017 1.00 0.00 O ATOM 1290 CB ARG A 83 -7.013 14.634 8.604 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.519 14.990 10.011 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.710 15.372 10.894 1.00 0.00 C ATOM 1293 NE ARG A 83 -7.223 15.824 12.233 1.00 0.00 N ATOM 1294 CZ ARG A 83 -8.028 16.450 13.046 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -9.262 16.676 12.695 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -7.599 16.851 14.209 1.00 0.00 N ATOM 0 H ARG A 83 -7.301 14.173 6.190 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.090 15.041 7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.537 15.484 8.167 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.727 13.812 8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.988 14.143 10.446 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.811 15.817 9.960 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.286 16.166 10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.378 14.518 11.009 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.259 15.642 12.512 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.599 16.363 11.784 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.892 17.166 13.331 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.633 16.675 14.484 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.229 17.341 14.844 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.741 11.861 7.877 1.00 0.00 N ATOM 1311 CA GLU A 84 -5.184 10.584 8.378 1.00 0.00 C ATOM 1312 C GLU A 84 -3.706 10.464 7.972 1.00 0.00 C ATOM 1313 O GLU A 84 -2.918 9.864 8.667 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.987 9.421 7.785 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.415 9.429 8.353 1.00 0.00 C ATOM 1316 CD GLU A 84 -8.251 10.503 7.647 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -8.086 10.662 6.450 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -9.043 11.152 8.318 1.00 0.00 O ATOM 0 H GLU A 84 -6.534 11.776 7.242 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.251 10.556 9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.018 9.505 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.499 8.475 8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.875 8.450 8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.388 9.623 9.425 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.317 11.007 6.854 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.890 10.874 6.441 1.00 0.00 C ATOM 1327 C TYR A 85 -0.979 11.598 7.438 1.00 0.00 C ATOM 1328 O TYR A 85 0.098 11.135 7.745 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.735 11.392 4.982 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.859 12.635 4.842 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.530 12.565 5.053 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.434 13.841 4.423 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.330 13.700 4.840 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.641 14.973 4.221 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.741 14.904 4.424 1.00 0.00 C ATOM 1336 OH TYR A 85 1.525 16.019 4.217 1.00 0.00 O ATOM 0 H TYR A 85 -3.914 11.531 6.214 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.583 9.828 6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.314 10.595 4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.724 11.613 4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.981 11.639 5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.499 13.896 4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.397 13.646 4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.095 15.902 3.908 1.00 0.00 H new ATOM 0 HH TYR A 85 0.961 16.767 3.931 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.393 12.710 7.973 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.523 13.424 8.961 1.00 0.00 C ATOM 1348 C VAL A 86 -0.805 12.923 10.372 1.00 0.00 C ATOM 1349 O VAL A 86 -0.231 13.392 11.335 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.753 14.937 8.871 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.474 15.688 9.406 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.973 15.324 7.410 1.00 0.00 C ATOM 0 H VAL A 86 -2.288 13.157 7.775 1.00 0.00 H new ATOM 0 HA VAL A 86 0.521 13.217 8.724 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.627 15.202 9.467 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.301 16.762 9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.644 15.413 10.447 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.350 15.423 8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.137 16.399 7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.094 15.052 6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.845 14.797 7.021 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.657 11.954 10.508 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.937 11.411 11.868 1.00 0.00 C ATOM 1364 C ASP A 87 -0.965 10.260 12.095 1.00 0.00 C ATOM 1365 O ASP A 87 -0.946 9.636 13.136 1.00 0.00 O ATOM 1366 CB ASP A 87 -3.393 10.927 11.946 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.585 9.568 11.249 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.617 9.002 10.771 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.712 9.107 11.219 1.00 0.00 O ATOM 0 H ASP A 87 -2.171 11.513 9.745 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.805 12.173 12.636 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.693 10.845 12.991 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.047 11.667 11.484 1.00 0.00 H new ATOM 1374 N LEU A 88 -0.152 9.990 11.100 1.00 0.00 N ATOM 1375 CA LEU A 88 0.857 8.886 11.197 1.00 0.00 C ATOM 1376 C LEU A 88 2.225 9.474 10.883 1.00 0.00 C ATOM 1377 O LEU A 88 3.248 8.852 11.092 1.00 0.00 O ATOM 1378 CB LEU A 88 0.527 7.734 10.214 1.00 0.00 C ATOM 1379 CG LEU A 88 -0.054 8.256 8.878 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.079 8.677 7.937 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.866 7.147 8.195 1.00 0.00 C ATOM 0 H LEU A 88 -0.145 10.495 10.214 1.00 0.00 H new ATOM 0 HA LEU A 88 0.843 8.464 12.202 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.431 7.158 10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.188 7.055 10.679 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.693 9.112 9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.657 9.042 7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.665 9.468 8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.722 7.820 7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.273 7.520 7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.219 6.292 7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.683 6.840 8.847 1.00 0.00 H new ATOM 1393 N GLU A 89 2.237 10.676 10.397 1.00 0.00 N ATOM 1394 CA GLU A 89 3.513 11.345 10.072 1.00 0.00 C ATOM 1395 C GLU A 89 4.057 11.915 11.377 1.00 0.00 C ATOM 1396 O GLU A 89 5.245 11.983 11.604 1.00 0.00 O ATOM 1397 CB GLU A 89 3.218 12.463 9.073 1.00 0.00 C ATOM 1398 CG GLU A 89 4.520 12.984 8.474 1.00 0.00 C ATOM 1399 CD GLU A 89 4.207 14.108 7.482 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.307 14.881 7.755 1.00 0.00 O ATOM 1401 OE2 GLU A 89 4.869 14.169 6.459 1.00 0.00 O ATOM 0 H GLU A 89 1.402 11.231 10.209 1.00 0.00 H new ATOM 0 HA GLU A 89 4.242 10.665 9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.567 12.092 8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.686 13.275 9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.175 13.352 9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.051 12.176 7.970 1.00 0.00 H new ATOM 1408 N ARG A 90 3.168 12.295 12.250 1.00 0.00 N ATOM 1409 CA ARG A 90 3.586 12.815 13.571 1.00 0.00 C ATOM 1410 C ARG A 90 4.277 11.696 14.351 1.00 0.00 C ATOM 1411 O ARG A 90 5.124 11.937 15.186 1.00 0.00 O ATOM 1412 CB ARG A 90 2.350 13.320 14.340 1.00 0.00 C ATOM 1413 CG ARG A 90 2.734 13.893 15.723 1.00 0.00 C ATOM 1414 CD ARG A 90 3.424 15.251 15.584 1.00 0.00 C ATOM 1415 NE ARG A 90 3.758 15.760 16.944 1.00 0.00 N ATOM 1416 CZ ARG A 90 4.581 16.765 17.084 1.00 0.00 C ATOM 1417 NH1 ARG A 90 5.117 17.324 16.032 1.00 0.00 N ATOM 1418 NH2 ARG A 90 4.863 17.210 18.280 1.00 0.00 N ATOM 0 H ARG A 90 2.160 12.265 12.099 1.00 0.00 H new ATOM 0 HA ARG A 90 4.281 13.645 13.443 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.846 14.089 13.754 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.642 12.502 14.469 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.840 13.997 16.338 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.396 13.196 16.238 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.329 15.155 14.984 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.772 15.955 15.067 1.00 0.00 H new ATOM 0 HE ARG A 90 3.343 15.323 17.767 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.893 16.976 15.100 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.759 18.109 16.143 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.441 16.773 19.099 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.505 17.994 18.394 1.00 0.00 H new ATOM 1432 N GLU A 91 3.901 10.466 14.109 1.00 0.00 N ATOM 1433 CA GLU A 91 4.530 9.350 14.880 1.00 0.00 C ATOM 1434 C GLU A 91 5.971 9.079 14.399 1.00 0.00 C ATOM 1435 O GLU A 91 6.895 9.757 14.794 1.00 0.00 O ATOM 1436 CB GLU A 91 3.686 8.070 14.737 1.00 0.00 C ATOM 1437 CG GLU A 91 4.280 6.964 15.632 1.00 0.00 C ATOM 1438 CD GLU A 91 3.437 5.694 15.533 1.00 0.00 C ATOM 1439 OE1 GLU A 91 2.224 5.810 15.492 1.00 0.00 O ATOM 1440 OE2 GLU A 91 4.021 4.619 15.509 1.00 0.00 O ATOM 0 H GLU A 91 3.198 10.188 13.424 1.00 0.00 H new ATOM 0 HA GLU A 91 4.570 9.647 15.928 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.653 8.268 15.022 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.673 7.744 13.697 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.305 6.753 15.329 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.317 7.305 16.667 1.00 0.00 H new ATOM 1447 N ALA A 92 6.166 8.076 13.583 1.00 0.00 N ATOM 1448 CA ALA A 92 7.545 7.728 13.112 1.00 0.00 C ATOM 1449 C ALA A 92 8.188 8.888 12.363 1.00 0.00 C ATOM 1450 O ALA A 92 9.349 8.827 12.019 1.00 0.00 O ATOM 1451 CB ALA A 92 7.474 6.525 12.167 1.00 0.00 C ATOM 0 H ALA A 92 5.425 7.477 13.219 1.00 0.00 H new ATOM 0 HA ALA A 92 8.147 7.498 13.991 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.477 6.272 11.824 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.045 5.673 12.694 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.849 6.773 11.309 1.00 0.00 H new ATOM 1457 N GLY A 93 7.470 9.924 12.062 1.00 0.00 N ATOM 1458 CA GLY A 93 8.113 11.018 11.290 1.00 0.00 C ATOM 1459 C GLY A 93 8.160 10.556 9.846 1.00 0.00 C ATOM 1460 O GLY A 93 8.834 11.123 9.009 1.00 0.00 O ATOM 0 H GLY A 93 6.490 10.063 12.308 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.545 11.944 11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.116 11.220 11.666 1.00 0.00 H new ATOM 1464 N LYS A 94 7.440 9.501 9.566 1.00 0.00 N ATOM 1465 CA LYS A 94 7.418 8.939 8.189 1.00 0.00 C ATOM 1466 C LYS A 94 5.964 8.816 7.758 1.00 0.00 C ATOM 1467 O LYS A 94 5.069 8.773 8.574 1.00 0.00 O ATOM 1468 CB LYS A 94 8.034 7.533 8.207 1.00 0.00 C ATOM 1469 CG LYS A 94 9.378 7.570 8.930 1.00 0.00 C ATOM 1470 CD LYS A 94 10.122 6.253 8.713 1.00 0.00 C ATOM 1471 CE LYS A 94 11.421 6.275 9.528 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.077 4.929 9.477 1.00 0.00 N ATOM 0 H LYS A 94 6.861 9.002 10.242 1.00 0.00 H new ATOM 0 HA LYS A 94 7.978 9.582 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.360 6.837 8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.168 7.171 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.977 8.402 8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.223 7.739 9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.499 5.413 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.343 6.115 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.096 7.034 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.208 6.546 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.957 4.950 10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.435 4.214 9.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.296 4.687 8.490 1.00 0.00 H new ATOM 1486 N VAL A 95 5.730 8.736 6.483 1.00 0.00 N ATOM 1487 CA VAL A 95 4.338 8.602 5.974 1.00 0.00 C ATOM 1488 C VAL A 95 4.164 7.202 5.420 1.00 0.00 C ATOM 1489 O VAL A 95 4.906 6.782 4.552 1.00 0.00 O ATOM 1490 CB VAL A 95 4.134 9.622 4.851 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.716 9.505 4.297 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.338 11.028 5.423 1.00 0.00 C ATOM 0 H VAL A 95 6.451 8.758 5.761 1.00 0.00 H new ATOM 0 HA VAL A 95 3.615 8.778 6.770 1.00 0.00 H new ATOM 0 HB VAL A 95 4.848 9.433 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.576 10.233 3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.561 8.500 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.997 9.698 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.196 11.766 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.616 11.205 6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.348 11.115 5.823 1.00 0.00 H new ATOM 1502 N TYR A 96 3.204 6.456 5.905 1.00 0.00 N ATOM 1503 CA TYR A 96 3.014 5.079 5.376 1.00 0.00 C ATOM 1504 C TYR A 96 1.541 4.732 5.296 1.00 0.00 C ATOM 1505 O TYR A 96 0.698 5.332 5.933 1.00 0.00 O ATOM 1506 CB TYR A 96 3.750 4.081 6.251 1.00 0.00 C ATOM 1507 CG TYR A 96 3.101 3.932 7.595 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.378 4.855 8.606 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.266 2.840 7.844 1.00 0.00 C ATOM 1510 CE1 TYR A 96 2.809 4.692 9.867 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.701 2.668 9.101 1.00 0.00 C ATOM 1512 CZ TYR A 96 1.970 3.596 10.119 1.00 0.00 C ATOM 1513 OH TYR A 96 1.420 3.431 11.371 1.00 0.00 O ATOM 0 H TYR A 96 2.552 6.740 6.636 1.00 0.00 H new ATOM 0 HA TYR A 96 3.426 5.034 4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.779 3.112 5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.783 4.404 6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.031 5.693 8.411 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.060 2.129 7.058 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.013 5.408 10.649 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.057 1.823 9.294 1.00 0.00 H new ATOM 0 HH TYR A 96 0.863 2.625 11.380 1.00 0.00 H new ATOM 1523 N LEU A 97 1.243 3.759 4.481 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.170 3.337 4.282 1.00 0.00 C ATOM 1525 C LEU A 97 -0.280 1.808 4.363 1.00 0.00 C ATOM 1526 O LEU A 97 0.585 1.064 3.897 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.639 3.819 2.893 1.00 0.00 C ATOM 1528 CG LEU A 97 0.571 3.896 1.916 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.124 3.564 0.490 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.192 5.303 1.935 1.00 0.00 C ATOM 0 H LEU A 97 1.927 3.232 3.938 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.796 3.773 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.392 3.137 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.110 4.798 2.979 1.00 0.00 H new ATOM 0 HG LEU A 97 1.316 3.170 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.980 3.622 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.291 2.556 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.636 4.277 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.036 5.337 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.444 6.035 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.536 5.535 2.943 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.358 1.348 4.936 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.597 -0.119 5.071 1.00 0.00 C ATOM 1544 C LYS A 98 -3.023 -0.428 4.645 1.00 0.00 C ATOM 1545 O LYS A 98 -3.952 0.258 5.014 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.384 -0.536 6.538 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.528 0.005 7.415 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.103 0.050 8.892 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.033 -1.368 9.485 1.00 0.00 C ATOM 1550 NZ LYS A 98 -3.295 -2.107 9.189 1.00 0.00 N ATOM 0 H LYS A 98 -2.096 1.936 5.323 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.902 -0.672 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.341 -1.623 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.428 -0.154 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.808 1.004 7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.409 -0.627 7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.130 0.534 8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.812 0.652 9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.181 -1.904 9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.878 -1.313 10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.411 -2.883 9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.103 -1.457 9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.251 -2.497 8.226 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.204 -1.462 3.864 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.584 -1.805 3.415 1.00 0.00 C ATOM 1566 C ALA A 99 -4.631 -3.285 2.987 1.00 0.00 C ATOM 1567 O ALA A 99 -3.707 -3.762 2.357 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.955 -0.921 2.217 1.00 0.00 C ATOM 0 H ALA A 99 -2.465 -2.076 3.522 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.288 -1.639 4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.963 -1.166 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.915 0.127 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.251 -1.096 1.404 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.698 -4.009 3.280 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.822 -5.433 2.857 1.00 0.00 C ATOM 1576 C PRO A 100 -6.393 -5.529 1.437 1.00 0.00 C ATOM 1577 O PRO A 100 -7.580 -5.369 1.216 1.00 0.00 O ATOM 1578 CB PRO A 100 -6.797 -6.005 3.874 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.734 -4.868 4.148 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.894 -3.582 4.038 1.00 0.00 C ATOM 0 HA PRO A 100 -4.869 -5.962 2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.325 -6.872 3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.286 -6.329 4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.555 -4.859 3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.178 -4.960 5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.437 -2.792 3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.628 -3.192 5.020 1.00 0.00 H new ATOM 1588 N MET A 101 -5.550 -5.759 0.468 1.00 0.00 N ATOM 1589 CA MET A 101 -6.024 -5.831 -0.956 1.00 0.00 C ATOM 1590 C MET A 101 -6.259 -7.289 -1.372 1.00 0.00 C ATOM 1591 O MET A 101 -5.412 -8.132 -1.198 1.00 0.00 O ATOM 1592 CB MET A 101 -4.941 -5.210 -1.862 1.00 0.00 C ATOM 1593 CG MET A 101 -5.414 -5.163 -3.325 1.00 0.00 C ATOM 1594 SD MET A 101 -6.736 -3.947 -3.515 1.00 0.00 S ATOM 1595 CE MET A 101 -5.699 -2.462 -3.658 1.00 0.00 C ATOM 0 H MET A 101 -4.548 -5.902 0.595 1.00 0.00 H new ATOM 0 HA MET A 101 -6.964 -5.288 -1.053 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.707 -4.202 -1.518 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.023 -5.793 -1.791 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.579 -4.907 -3.977 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.768 -6.147 -3.632 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.879 -1.809 -2.804 1.00 0.00 H new ATOM 0 HE2 MET A 101 -4.649 -2.752 -3.678 1.00 0.00 H new ATOM 0 HE3 MET A 101 -5.947 -1.932 -4.578 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.408 -7.588 -1.946 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.677 -8.991 -2.406 1.00 0.00 C ATOM 1607 C ILE A 102 -7.259 -9.153 -3.863 1.00 0.00 C ATOM 1608 O ILE A 102 -7.621 -8.378 -4.726 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.164 -9.370 -2.220 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.066 -8.149 -2.449 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.401 -9.930 -0.816 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.541 -8.571 -2.327 1.00 0.00 C ATOM 0 H ILE A 102 -8.164 -6.924 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.086 -9.669 -1.791 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.413 -10.135 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.837 -7.372 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.878 -7.725 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.453 -10.192 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.788 -10.819 -0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.131 -9.178 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.182 -7.704 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.764 -9.333 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.723 -8.975 -1.331 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.508 -10.183 -4.127 1.00 0.00 N ATOM 1625 CA LEU A 103 -6.042 -10.472 -5.508 1.00 0.00 C ATOM 1626 C LEU A 103 -6.853 -11.657 -6.011 1.00 0.00 C ATOM 1627 O LEU A 103 -7.715 -12.146 -5.314 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.556 -10.848 -5.462 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.688 -9.585 -5.485 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.977 -8.719 -4.250 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -2.210 -10.007 -5.498 1.00 0.00 C ATOM 0 H LEU A 103 -6.191 -10.852 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.169 -9.609 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.347 -11.425 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.308 -11.484 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.915 -8.998 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.354 -7.825 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.028 -8.429 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.755 -9.287 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.578 -9.119 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.991 -10.592 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.012 -10.610 -6.384 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.597 -12.130 -7.199 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.374 -13.298 -7.690 1.00 0.00 C ATOM 1645 C ASN A 104 -7.042 -14.485 -6.783 1.00 0.00 C ATOM 1646 O ASN A 104 -6.442 -15.456 -7.200 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.951 -13.612 -9.126 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.845 -14.712 -9.704 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -7.362 -15.667 -10.281 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -9.142 -14.623 -9.565 1.00 0.00 N ATOM 0 H ASN A 104 -5.894 -11.764 -7.841 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.444 -13.093 -7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.022 -12.714 -9.740 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.909 -13.930 -9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.746 -15.354 -9.940 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -9.549 -13.823 -9.081 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.420 -14.391 -5.533 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.139 -15.467 -4.541 1.00 0.00 C ATOM 1659 C GLY A 105 -7.808 -15.092 -3.227 1.00 0.00 C ATOM 1660 O GLY A 105 -8.971 -15.355 -3.003 1.00 0.00 O ATOM 0 H GLY A 105 -7.925 -13.591 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.518 -16.424 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.064 -15.583 -4.400 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.069 -14.451 -2.364 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.644 -14.012 -1.055 1.00 0.00 C ATOM 1666 C VAL A 106 -6.944 -12.724 -0.609 1.00 0.00 C ATOM 1667 O VAL A 106 -6.120 -12.173 -1.315 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.508 -15.104 0.045 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.832 -15.241 0.813 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.162 -16.455 -0.577 1.00 0.00 C ATOM 0 H VAL A 106 -6.088 -14.210 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.710 -13.834 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.710 -14.803 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.729 -16.007 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.081 -14.289 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.626 -15.524 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.071 -17.205 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.950 -16.749 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.217 -16.377 -1.115 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.286 -12.228 0.537 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.664 -10.956 1.011 1.00 0.00 C ATOM 1682 C CYS A 107 -5.197 -11.140 1.376 1.00 0.00 C ATOM 1683 O CYS A 107 -4.783 -12.129 1.948 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.407 -10.462 2.244 1.00 0.00 C ATOM 1685 SG CYS A 107 -7.710 -11.866 3.310 1.00 0.00 S ATOM 0 H CYS A 107 -7.969 -12.642 1.172 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.729 -10.235 0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.818 -9.708 2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.348 -9.991 1.958 1.00 0.00 H new ATOM 0 HG CYS A 107 -8.936 -11.827 3.741 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.432 -10.129 1.083 1.00 0.00 N ATOM 1692 CA VAL A 108 -2.989 -10.107 1.422 1.00 0.00 C ATOM 1693 C VAL A 108 -2.753 -8.751 2.099 1.00 0.00 C ATOM 1694 O VAL A 108 -3.514 -7.824 1.878 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.141 -10.286 0.150 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.214 -9.043 -0.746 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.683 -10.581 0.538 1.00 0.00 C ATOM 0 H VAL A 108 -4.762 -9.290 0.606 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.698 -10.921 2.086 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.541 -11.127 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.605 -9.200 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.249 -8.867 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.840 -8.178 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.085 -10.707 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.287 -9.751 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.642 -11.495 1.131 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.758 -8.622 2.951 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.553 -7.309 3.662 1.00 0.00 C ATOM 1709 C ILE A 109 -0.366 -6.561 3.070 1.00 0.00 C ATOM 1710 O ILE A 109 0.756 -7.025 3.077 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.324 -7.575 5.171 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.672 -6.328 5.989 1.00 0.00 C ATOM 1713 CG2 ILE A 109 0.138 -7.957 5.460 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.730 -6.712 7.467 1.00 0.00 C ATOM 0 H ILE A 109 -1.088 -9.355 3.184 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.441 -6.690 3.535 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.971 -8.405 5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.925 -5.551 5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.630 -5.920 5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 109 0.263 -8.137 6.528 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.394 -8.861 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.795 -7.144 5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.977 -5.833 8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.493 -7.476 7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.761 -7.101 7.780 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.626 -5.379 2.583 1.00 0.00 N ATOM 1727 CA TRP A 110 0.437 -4.528 2.002 1.00 0.00 C ATOM 1728 C TRP A 110 0.587 -3.315 2.918 1.00 0.00 C ATOM 1729 O TRP A 110 -0.354 -2.579 3.130 1.00 0.00 O ATOM 1730 CB TRP A 110 0.001 -4.079 0.607 1.00 0.00 C ATOM 1731 CG TRP A 110 1.168 -3.442 -0.096 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.975 -4.071 -0.984 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.677 -2.083 0.022 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.945 -3.184 -1.416 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.808 -1.949 -0.820 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.282 -0.967 0.779 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.509 -0.747 -0.919 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.985 0.242 0.677 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.099 0.348 -0.160 1.00 0.00 C ATOM 0 H TRP A 110 -1.557 -4.962 2.566 1.00 0.00 H new ATOM 0 HA TRP A 110 1.382 -5.064 1.919 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.362 -4.933 0.034 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.824 -3.371 0.681 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.877 -5.098 -1.303 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.672 -3.416 -2.093 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.433 -1.041 1.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.361 -0.666 -1.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.663 1.099 1.250 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.643 1.279 -0.219 1.00 0.00 H new ATOM 1750 N LYS A 111 1.746 -3.098 3.474 1.00 0.00 N ATOM 1751 CA LYS A 111 1.929 -1.926 4.391 1.00 0.00 C ATOM 1752 C LYS A 111 3.304 -1.310 4.174 1.00 0.00 C ATOM 1753 O LYS A 111 4.174 -1.361 5.018 1.00 0.00 O ATOM 1754 CB LYS A 111 1.759 -2.371 5.848 1.00 0.00 C ATOM 1755 CG LYS A 111 2.614 -3.599 6.112 1.00 0.00 C ATOM 1756 CD LYS A 111 2.402 -4.083 7.551 1.00 0.00 C ATOM 1757 CE LYS A 111 3.440 -5.159 7.862 1.00 0.00 C ATOM 1758 NZ LYS A 111 3.094 -5.825 9.149 1.00 0.00 N ATOM 0 H LYS A 111 2.575 -3.676 3.337 1.00 0.00 H new ATOM 0 HA LYS A 111 1.173 -1.173 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.048 -1.564 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.712 -2.595 6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.354 -4.392 5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.666 -3.362 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.500 -3.251 8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.395 -4.483 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.471 -5.893 7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.433 -4.714 7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.801 -6.558 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.086 -5.120 9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.154 -6.263 9.072 1.00 0.00 H new ATOM 1772 N GLY A 112 3.495 -0.718 3.031 1.00 0.00 N ATOM 1773 CA GLY A 112 4.803 -0.072 2.715 1.00 0.00 C ATOM 1774 C GLY A 112 4.947 1.249 3.478 1.00 0.00 C ATOM 1775 O GLY A 112 3.968 1.897 3.789 1.00 0.00 O ATOM 0 H GLY A 112 2.795 -0.652 2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.620 -0.743 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.876 0.111 1.643 1.00 0.00 H new ATOM 1779 N TRP A 113 6.161 1.676 3.747 1.00 0.00 N ATOM 1780 CA TRP A 113 6.372 2.977 4.453 1.00 0.00 C ATOM 1781 C TRP A 113 7.541 3.707 3.810 1.00 0.00 C ATOM 1782 O TRP A 113 8.377 3.113 3.177 1.00 0.00 O ATOM 1783 CB TRP A 113 6.675 2.758 5.940 1.00 0.00 C ATOM 1784 CG TRP A 113 7.812 1.817 6.137 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.678 0.518 6.474 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.242 2.081 6.045 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.942 -0.043 6.601 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.942 0.886 6.339 1.00 0.00 C ATOM 1789 CE3 TRP A 113 9.990 3.232 5.734 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.344 0.840 6.327 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.396 3.188 5.722 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.070 1.997 6.018 1.00 0.00 C ATOM 0 H TRP A 113 7.016 1.175 3.506 1.00 0.00 H new ATOM 0 HA TRP A 113 5.459 3.567 4.370 1.00 0.00 H new ATOM 0 HB2 TRP A 113 6.908 3.714 6.409 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.788 2.367 6.438 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.742 -0.000 6.621 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.115 -1.016 6.855 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.481 4.156 5.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.860 -0.081 6.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 11.959 4.078 5.483 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.150 1.971 6.008 1.00 0.00 H new ATOM 1803 N ILE A 114 7.619 4.997 3.983 1.00 0.00 N ATOM 1804 CA ILE A 114 8.746 5.766 3.392 1.00 0.00 C ATOM 1805 C ILE A 114 9.024 6.948 4.301 1.00 0.00 C ATOM 1806 O ILE A 114 8.121 7.521 4.872 1.00 0.00 O ATOM 1807 CB ILE A 114 8.382 6.296 1.994 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.972 6.955 2.001 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.478 5.169 0.963 1.00 0.00 C ATOM 1810 CD1 ILE A 114 5.853 5.940 1.714 1.00 0.00 C ATOM 0 H ILE A 114 6.947 5.553 4.511 1.00 0.00 H new ATOM 0 HA ILE A 114 9.616 5.116 3.297 1.00 0.00 H new ATOM 0 HB ILE A 114 9.096 7.070 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.796 7.422 2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.940 7.748 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.218 5.555 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.496 4.779 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.788 4.369 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.889 6.448 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.011 5.492 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.865 5.160 2.476 1.00 0.00 H new ATOM 1822 N ASP A 115 10.255 7.332 4.444 1.00 0.00 N ATOM 1823 CA ASP A 115 10.545 8.483 5.313 1.00 0.00 C ATOM 1824 C ASP A 115 10.021 9.738 4.619 1.00 0.00 C ATOM 1825 O ASP A 115 9.632 9.703 3.468 1.00 0.00 O ATOM 1826 CB ASP A 115 12.051 8.565 5.518 1.00 0.00 C ATOM 1827 CG ASP A 115 12.365 9.495 6.692 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.521 10.306 7.019 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.449 9.385 7.237 1.00 0.00 O ATOM 0 H ASP A 115 11.064 6.899 3.998 1.00 0.00 H new ATOM 0 HA ASP A 115 10.065 8.383 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.455 7.571 5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.531 8.934 4.612 1.00 0.00 H new ATOM 1834 N LEU A 116 9.961 10.827 5.316 1.00 0.00 N ATOM 1835 CA LEU A 116 9.421 12.076 4.726 1.00 0.00 C ATOM 1836 C LEU A 116 10.365 12.587 3.607 1.00 0.00 C ATOM 1837 O LEU A 116 9.927 13.241 2.677 1.00 0.00 O ATOM 1838 CB LEU A 116 9.280 13.099 5.872 1.00 0.00 C ATOM 1839 CG LEU A 116 8.281 14.237 5.517 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.579 14.744 6.790 1.00 0.00 C ATOM 1841 CD2 LEU A 116 9.034 15.409 4.894 1.00 0.00 C ATOM 0 H LEU A 116 10.268 10.909 6.285 1.00 0.00 H new ATOM 0 HA LEU A 116 8.448 11.910 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.943 12.589 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.256 13.530 6.096 1.00 0.00 H new ATOM 0 HG LEU A 116 7.545 13.841 4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.882 15.540 6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.034 13.923 7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.323 15.128 7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.330 16.204 4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.772 15.785 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.539 15.076 3.987 1.00 0.00 H new ATOM 1853 N HIS A 117 11.652 12.295 3.680 1.00 0.00 N ATOM 1854 CA HIS A 117 12.604 12.778 2.617 1.00 0.00 C ATOM 1855 C HIS A 117 12.947 11.669 1.591 1.00 0.00 C ATOM 1856 O HIS A 117 12.696 11.832 0.414 1.00 0.00 O ATOM 1857 CB HIS A 117 13.888 13.308 3.279 1.00 0.00 C ATOM 1858 CG HIS A 117 14.772 12.165 3.689 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.004 11.941 3.103 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.626 11.187 4.640 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.554 10.871 3.705 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.752 10.373 4.651 1.00 0.00 N ATOM 0 H HIS A 117 12.080 11.746 4.426 1.00 0.00 H new ATOM 0 HA HIS A 117 12.112 13.581 2.068 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.421 13.959 2.586 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.634 13.911 4.151 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.766 11.068 5.283 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.523 10.465 3.455 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.929 9.568 5.252 1.00 0.00 H new ATOM 1870 N ARG A 118 13.529 10.552 1.985 1.00 0.00 N ATOM 1871 CA ARG A 118 13.872 9.510 0.958 1.00 0.00 C ATOM 1872 C ARG A 118 12.682 8.563 0.741 1.00 0.00 C ATOM 1873 O ARG A 118 12.173 7.937 1.648 1.00 0.00 O ATOM 1874 CB ARG A 118 15.110 8.719 1.406 1.00 0.00 C ATOM 1875 CG ARG A 118 14.833 8.054 2.753 1.00 0.00 C ATOM 1876 CD ARG A 118 16.123 7.475 3.353 1.00 0.00 C ATOM 1877 NE ARG A 118 16.629 6.360 2.499 1.00 0.00 N ATOM 1878 CZ ARG A 118 17.858 5.934 2.647 1.00 0.00 C ATOM 1879 NH1 ARG A 118 18.625 6.457 3.561 1.00 0.00 N ATOM 1880 NH2 ARG A 118 18.314 4.972 1.896 1.00 0.00 N ATOM 0 H ARG A 118 13.775 10.322 2.948 1.00 0.00 H new ATOM 0 HA ARG A 118 14.095 10.006 0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.361 7.964 0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.969 9.384 1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.402 8.782 3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.097 7.260 2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.879 8.256 3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 118 15.933 7.113 4.363 1.00 0.00 H new ATOM 0 HE ARG A 118 16.019 5.932 1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 118 18.268 7.199 4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 118 19.582 6.124 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 118 17.713 4.548 1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 118 19.272 4.643 2.014 1.00 0.00 H new ATOM 1894 N LEU A 119 12.232 8.486 -0.478 1.00 0.00 N ATOM 1895 CA LEU A 119 11.061 7.619 -0.825 1.00 0.00 C ATOM 1896 C LEU A 119 11.490 6.168 -1.038 1.00 0.00 C ATOM 1897 O LEU A 119 10.715 5.370 -1.518 1.00 0.00 O ATOM 1898 CB LEU A 119 10.415 8.112 -2.115 1.00 0.00 C ATOM 1899 CG LEU A 119 10.012 9.585 -1.974 1.00 0.00 C ATOM 1900 CD1 LEU A 119 9.299 10.025 -3.253 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.072 9.765 -0.769 1.00 0.00 C ATOM 0 H LEU A 119 12.630 8.995 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 119 10.357 7.671 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 119 11.110 7.995 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.538 7.508 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 119 10.903 10.193 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.007 11.072 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.970 9.906 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.410 9.412 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 119 8.793 10.815 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.176 9.162 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 119 9.581 9.446 0.140 1.00 0.00 H new ATOM 1913 N ASP A 120 12.697 5.815 -0.716 1.00 0.00 N ATOM 1914 CA ASP A 120 13.145 4.394 -0.946 1.00 0.00 C ATOM 1915 C ASP A 120 12.969 3.578 0.335 1.00 0.00 C ATOM 1916 O ASP A 120 13.899 3.001 0.858 1.00 0.00 O ATOM 1917 CB ASP A 120 14.612 4.370 -1.374 1.00 0.00 C ATOM 1918 CG ASP A 120 15.531 4.759 -0.211 1.00 0.00 C ATOM 1919 OD1 ASP A 120 15.028 5.198 0.810 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.730 4.599 -0.369 1.00 0.00 O ATOM 0 H ASP A 120 13.397 6.433 -0.306 1.00 0.00 H new ATOM 0 HA ASP A 120 12.536 3.956 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.874 3.374 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.763 5.057 -2.207 1.00 0.00 H new ATOM 1925 N GLY A 121 11.771 3.543 0.840 1.00 0.00 N ATOM 1926 CA GLY A 121 11.485 2.788 2.090 1.00 0.00 C ATOM 1927 C GLY A 121 11.573 1.272 1.882 1.00 0.00 C ATOM 1928 O GLY A 121 12.228 0.775 0.986 1.00 0.00 O ATOM 0 H GLY A 121 10.963 4.014 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.191 3.089 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.489 3.047 2.449 1.00 0.00 H new ATOM 1932 N MET A 122 10.878 0.547 2.726 1.00 0.00 N ATOM 1933 CA MET A 122 10.838 -0.942 2.647 1.00 0.00 C ATOM 1934 C MET A 122 9.379 -1.373 2.858 1.00 0.00 C ATOM 1935 O MET A 122 8.621 -0.692 3.518 1.00 0.00 O ATOM 1936 CB MET A 122 11.679 -1.537 3.783 1.00 0.00 C ATOM 1937 CG MET A 122 13.128 -1.058 3.691 1.00 0.00 C ATOM 1938 SD MET A 122 13.845 -1.556 2.110 1.00 0.00 S ATOM 1939 CE MET A 122 13.902 -3.342 2.404 1.00 0.00 C ATOM 0 H MET A 122 10.323 0.940 3.486 1.00 0.00 H new ATOM 0 HA MET A 122 11.225 -1.282 1.686 1.00 0.00 H new ATOM 0 HB2 MET A 122 11.256 -1.248 4.745 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.647 -2.625 3.734 1.00 0.00 H new ATOM 0 HG2 MET A 122 13.168 0.027 3.792 1.00 0.00 H new ATOM 0 HG3 MET A 122 13.711 -1.476 4.512 1.00 0.00 H new ATOM 0 HE1 MET A 122 14.657 -3.793 1.760 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.155 -3.531 3.447 1.00 0.00 H new ATOM 0 HE3 MET A 122 12.928 -3.779 2.182 1.00 0.00 H new ATOM 1949 N GLY A 123 8.973 -2.492 2.338 1.00 0.00 N ATOM 1950 CA GLY A 123 7.561 -2.926 2.563 1.00 0.00 C ATOM 1951 C GLY A 123 7.430 -4.423 2.307 1.00 0.00 C ATOM 1952 O GLY A 123 7.602 -4.903 1.203 1.00 0.00 O ATOM 0 H GLY A 123 9.544 -3.121 1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.259 -2.695 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.893 -2.375 1.901 1.00 0.00 H new ATOM 1956 N CYS A 124 7.134 -5.164 3.339 1.00 0.00 N ATOM 1957 CA CYS A 124 6.980 -6.635 3.195 1.00 0.00 C ATOM 1958 C CYS A 124 5.549 -6.973 2.798 1.00 0.00 C ATOM 1959 O CYS A 124 4.612 -6.333 3.232 1.00 0.00 O ATOM 1960 CB CYS A 124 7.297 -7.302 4.535 1.00 0.00 C ATOM 1961 SG CYS A 124 6.044 -6.816 5.754 1.00 0.00 S ATOM 0 H CYS A 124 6.991 -4.808 4.284 1.00 0.00 H new ATOM 0 HA CYS A 124 7.661 -6.995 2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 124 7.310 -8.386 4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 124 8.289 -7.006 4.877 1.00 0.00 H new ATOM 0 HG CYS A 124 4.983 -6.387 5.138 1.00 0.00 H new ATOM 1967 N LEU A 125 5.375 -8.002 2.013 1.00 0.00 N ATOM 1968 CA LEU A 125 3.997 -8.432 1.610 1.00 0.00 C ATOM 1969 C LEU A 125 3.856 -9.896 2.006 1.00 0.00 C ATOM 1970 O LEU A 125 4.719 -10.706 1.738 1.00 0.00 O ATOM 1971 CB LEU A 125 3.820 -8.209 0.100 1.00 0.00 C ATOM 1972 CG LEU A 125 2.471 -8.754 -0.399 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.332 -7.935 0.212 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.401 -8.640 -1.928 1.00 0.00 C ATOM 0 H LEU A 125 6.131 -8.569 1.629 1.00 0.00 H new ATOM 0 HA LEU A 125 3.218 -7.853 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.887 -7.144 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.632 -8.698 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 125 2.377 -9.799 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.376 -8.321 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.373 -8.008 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.434 -6.891 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.444 -9.027 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.498 -7.594 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.211 -9.218 -2.373 1.00 0.00 H new ATOM 1986 N GLU A 126 2.796 -10.231 2.688 1.00 0.00 N ATOM 1987 CA GLU A 126 2.621 -11.649 3.151 1.00 0.00 C ATOM 1988 C GLU A 126 1.142 -12.041 3.217 1.00 0.00 C ATOM 1989 O GLU A 126 0.305 -11.298 3.692 1.00 0.00 O ATOM 1990 CB GLU A 126 3.204 -11.798 4.558 1.00 0.00 C ATOM 1991 CG GLU A 126 4.681 -11.405 4.551 1.00 0.00 C ATOM 1992 CD GLU A 126 5.310 -11.784 5.897 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.721 -11.453 6.913 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.362 -12.402 5.890 1.00 0.00 O ATOM 0 H GLU A 126 2.044 -9.593 2.947 1.00 0.00 H new ATOM 0 HA GLU A 126 3.132 -12.294 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.654 -11.169 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.094 -12.827 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.201 -11.912 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.784 -10.334 4.377 1.00 0.00 H new ATOM 2001 N PHE A 127 0.834 -13.237 2.782 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.562 -13.745 2.850 1.00 0.00 C ATOM 2003 C PHE A 127 -0.806 -14.274 4.290 1.00 0.00 C ATOM 2004 O PHE A 127 -0.430 -15.384 4.607 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.706 -14.877 1.798 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.535 -14.428 0.610 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -0.941 -13.788 -0.496 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -2.908 -14.672 0.615 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.735 -13.393 -1.582 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.697 -14.278 -0.470 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.112 -13.635 -1.568 1.00 0.00 C ATOM 0 H PHE A 127 1.505 -13.890 2.377 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.296 -12.969 2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.282 -15.187 1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.172 -15.748 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.123 -13.602 -0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.363 -15.167 1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.282 -12.901 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.760 -14.470 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.724 -13.326 -2.403 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.396 -13.490 5.169 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.619 -13.972 6.581 1.00 0.00 C ATOM 2023 C ASP A 128 -2.886 -13.344 7.170 1.00 0.00 C ATOM 2024 O ASP A 128 -3.050 -13.233 8.371 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.413 -13.574 7.428 1.00 0.00 C ATOM 2026 CG ASP A 128 -0.481 -14.270 8.787 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -1.422 -15.016 9.001 1.00 0.00 O ATOM 2028 OD2 ASP A 128 0.413 -14.049 9.591 1.00 0.00 O ATOM 0 H ASP A 128 -1.731 -12.546 4.975 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.740 -15.055 6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.509 -13.847 6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.394 -12.493 7.564 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.760 -12.907 6.319 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.024 -12.245 6.768 1.00 0.00 C ATOM 2035 C GLU A 129 -6.040 -13.245 7.356 1.00 0.00 C ATOM 2036 O GLU A 129 -6.576 -14.116 6.676 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.607 -11.513 5.556 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.881 -10.186 5.358 1.00 0.00 C ATOM 2039 CD GLU A 129 -3.376 -10.432 5.441 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -2.864 -10.464 6.550 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -2.759 -10.603 4.409 1.00 0.00 O ATOM 0 H GLU A 129 -3.657 -12.979 5.307 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.803 -11.548 7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.506 -12.130 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.673 -11.337 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -5.140 -9.754 4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.189 -9.470 6.120 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.351 -13.103 8.610 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.351 -14.013 9.217 1.00 0.00 C ATOM 2050 C GLU A 130 -8.682 -13.841 8.482 1.00 0.00 C ATOM 2051 O GLU A 130 -9.470 -14.760 8.368 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.501 -13.685 10.705 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.351 -12.425 10.900 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.210 -11.951 12.342 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -8.464 -12.742 13.235 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -7.841 -10.804 12.533 1.00 0.00 O ATOM 0 H GLU A 130 -5.958 -12.401 9.237 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.028 -15.050 9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.964 -14.525 11.223 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.517 -13.538 11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.028 -11.643 10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.396 -12.637 10.674 1.00 0.00 H new ATOM 2063 N ARG A 131 -8.938 -12.682 7.950 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.204 -12.514 7.201 1.00 0.00 C ATOM 2065 C ARG A 131 -10.092 -13.354 5.934 1.00 0.00 C ATOM 2066 O ARG A 131 -11.073 -13.699 5.303 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.467 -11.035 6.861 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.216 -10.373 6.306 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.527 -8.901 6.006 1.00 0.00 C ATOM 2070 NE ARG A 131 -9.913 -8.224 7.282 1.00 0.00 N ATOM 2071 CZ ARG A 131 -10.046 -6.923 7.328 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -9.882 -6.212 6.251 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -10.365 -6.333 8.451 1.00 0.00 N ATOM 0 H ARG A 131 -8.337 -11.860 8.000 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.047 -12.843 7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.274 -10.964 6.132 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -10.797 -10.506 7.755 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.399 -10.447 7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -8.890 -10.882 5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -8.657 -8.413 5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.335 -8.826 5.279 1.00 0.00 H new ATOM 0 HE ARG A 131 -10.074 -8.780 8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.649 -6.669 5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -9.986 -5.198 6.289 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -10.511 -6.887 9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -10.468 -5.319 8.483 1.00 0.00 H new ATOM 2087 N ALA A 132 -8.888 -13.715 5.574 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.685 -14.563 4.365 1.00 0.00 C ATOM 2089 C ALA A 132 -9.398 -15.887 4.548 1.00 0.00 C ATOM 2090 O ALA A 132 -10.118 -16.342 3.681 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.193 -14.847 4.167 1.00 0.00 C ATOM 0 H ALA A 132 -8.034 -13.457 6.068 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.081 -14.033 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.055 -15.467 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.658 -13.906 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.803 -15.370 5.040 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.195 -16.535 5.656 1.00 0.00 N ATOM 2098 CA GLN A 133 -9.871 -17.855 5.826 1.00 0.00 C ATOM 2099 C GLN A 133 -11.408 -17.673 5.780 1.00 0.00 C ATOM 2100 O GLN A 133 -12.118 -18.448 5.154 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.448 -18.510 7.161 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.246 -17.926 8.337 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.649 -18.422 9.656 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.447 -18.546 9.786 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.445 -18.716 10.648 1.00 0.00 N ATOM 0 H GLN A 133 -8.610 -16.225 6.432 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.569 -18.511 5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.607 -19.587 7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.382 -18.352 7.326 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.222 -16.837 8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.292 -18.224 8.264 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.454 -18.612 10.540 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.058 -19.049 11.531 1.00 0.00 H new ATOM 2114 N GLN A 134 -11.943 -16.665 6.441 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.435 -16.502 6.415 1.00 0.00 C ATOM 2116 C GLN A 134 -13.898 -15.840 5.101 1.00 0.00 C ATOM 2117 O GLN A 134 -14.898 -16.223 4.530 1.00 0.00 O ATOM 2118 CB GLN A 134 -13.897 -15.675 7.632 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.768 -14.181 7.350 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.912 -13.411 8.664 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -13.300 -13.760 9.657 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.716 -12.387 8.727 1.00 0.00 N ATOM 0 H GLN A 134 -11.428 -15.969 6.981 1.00 0.00 H new ATOM 0 HA GLN A 134 -13.890 -17.491 6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -14.933 -15.917 7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.299 -15.938 8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.802 -13.966 6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -14.534 -13.864 6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -15.231 -12.091 7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.830 -11.882 9.606 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.193 -14.837 4.627 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.629 -14.155 3.362 1.00 0.00 C ATOM 2133 C GLU A 135 -13.534 -15.123 2.188 1.00 0.00 C ATOM 2134 O GLU A 135 -14.286 -15.034 1.237 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.777 -12.892 3.103 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.437 -13.231 2.405 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.552 -13.067 0.880 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.392 -13.728 0.293 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -10.784 -12.295 0.329 1.00 0.00 O ATOM 0 H GLU A 135 -12.345 -14.464 5.054 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.668 -13.843 3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.342 -12.194 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.576 -12.389 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.650 -12.580 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.148 -14.254 2.643 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.623 -16.051 2.234 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.534 -17.001 1.106 1.00 0.00 C ATOM 2148 C ASP A 136 -13.837 -17.791 1.061 1.00 0.00 C ATOM 2149 O ASP A 136 -14.424 -17.980 0.015 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.348 -17.941 1.300 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.040 -18.636 -0.027 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -11.982 -18.961 -0.730 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -9.872 -18.819 -0.322 1.00 0.00 O ATOM 0 H ASP A 136 -11.951 -16.188 2.989 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.384 -16.466 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.477 -17.382 1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.575 -18.680 2.068 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.309 -18.230 2.198 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.601 -18.979 2.214 1.00 0.00 C ATOM 2160 C ALA A 137 -16.723 -18.080 1.681 1.00 0.00 C ATOM 2161 O ALA A 137 -17.581 -18.508 0.933 1.00 0.00 O ATOM 2162 CB ALA A 137 -15.945 -19.389 3.651 1.00 0.00 C ATOM 0 H ALA A 137 -13.863 -18.105 3.107 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.503 -19.866 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.888 -19.935 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.154 -20.026 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.037 -18.498 4.271 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.724 -16.836 2.092 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.785 -15.883 1.659 1.00 0.00 C ATOM 2170 C LEU A 138 -17.493 -15.361 0.251 1.00 0.00 C ATOM 2171 O LEU A 138 -18.315 -14.715 -0.368 1.00 0.00 O ATOM 2172 CB LEU A 138 -17.805 -14.698 2.631 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.024 -15.177 4.069 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.054 -13.962 4.994 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.360 -15.932 4.184 1.00 0.00 C ATOM 0 H LEU A 138 -16.024 -16.438 2.718 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.747 -16.396 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -16.864 -14.151 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.597 -14.004 2.349 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.213 -15.849 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.210 -14.291 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.107 -13.428 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -18.867 -13.299 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.502 -16.266 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.178 -15.269 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.348 -16.796 3.520 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.327 -15.615 -0.253 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.993 -15.112 -1.607 1.00 0.00 C ATOM 2189 C ALA A 139 -16.953 -15.723 -2.633 1.00 0.00 C ATOM 2190 O ALA A 139 -17.252 -15.133 -3.651 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.561 -15.512 -1.926 1.00 0.00 C ATOM 0 H ALA A 139 -15.591 -16.148 0.211 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.090 -14.027 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.295 -15.151 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.888 -15.074 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.472 -16.598 -1.899 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.426 -16.910 -2.368 1.00 0.00 N ATOM 2198 CA GLN A 140 -18.352 -17.575 -3.322 1.00 0.00 C ATOM 2199 C GLN A 140 -19.755 -16.989 -3.175 1.00 0.00 C ATOM 2200 O GLN A 140 -20.151 -16.564 -2.110 1.00 0.00 O ATOM 2201 CB GLN A 140 -18.377 -19.072 -3.010 1.00 0.00 C ATOM 2202 CG GLN A 140 -16.959 -19.634 -3.163 1.00 0.00 C ATOM 2203 CD GLN A 140 -16.946 -21.133 -2.855 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -17.842 -21.642 -2.213 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -15.956 -21.866 -3.290 1.00 0.00 N ATOM 0 H GLN A 140 -17.209 -17.448 -1.529 1.00 0.00 H new ATOM 0 HA GLN A 140 -18.013 -17.414 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -18.742 -19.240 -1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -19.061 -19.586 -3.685 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -16.599 -19.461 -4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -16.279 -19.112 -2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -15.203 -21.438 -3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -15.936 -22.866 -3.090 1.00 0.00 H new ATOM 2214 N GLN A 141 -20.512 -16.960 -4.242 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.892 -16.395 -4.159 1.00 0.00 C ATOM 2216 C GLN A 141 -22.878 -17.533 -3.841 1.00 0.00 C ATOM 2217 O GLN A 141 -22.814 -18.052 -2.739 1.00 0.00 O ATOM 2218 CB GLN A 141 -22.265 -15.746 -5.503 1.00 0.00 C ATOM 2219 CG GLN A 141 -21.267 -14.634 -5.842 1.00 0.00 C ATOM 2220 CD GLN A 141 -21.320 -13.531 -4.786 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -20.355 -12.814 -4.593 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -22.415 -13.351 -4.100 1.00 0.00 N ATOM 2223 OXT GLN A 141 -23.666 -17.868 -4.709 1.00 0.00 O ATOM 0 H GLN A 141 -20.236 -17.301 -5.163 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.936 -15.640 -3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -22.266 -16.498 -6.292 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -23.274 -15.337 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -20.259 -15.045 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -21.496 -14.218 -6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -23.223 -13.952 -4.262 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -22.463 -12.609 -3.401 1.00 0.00 H new TER 2232 GLN A 141