USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 HIS : no HD1:sc= -2.73! C(o=-3.5!,f=-4.4!) USER MOD Set 1.2: A 89 THR OG1 : rot 173:sc= -0.743 USER MOD Set 2.1: A 19 GLN : amide:sc= -1.76 K(o=-0.83,f=-3.8!) USER MOD Set 2.2: A 23 ASN : amide:sc= 0.921 K(o=-0.83,f=-1.5) USER MOD Set 3.1: A 12 LYS NZ :NH3+ 145:sc= 1.09 (180deg=0) USER MOD Set 3.2: A 83 TYR OH : rot 100:sc= 0.941 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.08) USER MOD Single : A 20 ASN : amide:sc= -0.448 K(o=-0.45,f=-8.2!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 1.23 (180deg=0.911) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc=-0.000361 X(o=-0.00036,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.462 K(o=-0.46,f=-3.8!) USER MOD Single : A 37 LYS NZ :NH3+ -106:sc= 0.29 (180deg=-0.62) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -118:sc= -0.0117 (180deg=-0.22) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 168:sc= -0.0201 (180deg=-0.207) USER MOD Single : A 65 THR OG1 : rot 75:sc= 0.933 USER MOD Single : A 66 MET CE :methyl 165:sc= -0.0386 (180deg=-0.317) USER MOD Single : A 69 ASN : amide:sc= -0.0115 K(o=-0.012,f=-1.1) USER MOD Single : A 72 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.7) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc=-0.00411 K(o=-0.0041,f=-0.74) USER MOD Single : A 85 ASN : amide:sc= 0.63 K(o=0.63,f=-3.6!) USER MOD Single : A 86 MET CE :methyl 141:sc= -0.318 (180deg=-1.08) USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= 0.787 (180deg=0.533) USER MOD ----------------------------------------------------------------- ATOM 58 N ASP A 7 -11.080 -46.879 22.435 1.00 0.00 N ATOM 59 CA ASP A 7 -11.828 -46.258 23.521 1.00 0.00 C ATOM 60 C ASP A 7 -10.964 -46.167 24.750 1.00 0.00 C ATOM 61 O ASP A 7 -10.639 -47.178 25.371 1.00 0.00 O ATOM 62 CB ASP A 7 -13.088 -47.064 23.845 1.00 0.00 C ATOM 63 CG ASP A 7 -13.935 -47.360 22.638 1.00 0.00 C ATOM 64 OD1 ASP A 7 -14.808 -46.540 22.299 1.00 0.00 O ATOM 65 OD2 ASP A 7 -13.728 -48.428 22.022 1.00 0.00 O ATOM 0 HA ASP A 7 -12.124 -45.258 23.204 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.798 -48.004 24.315 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.685 -46.514 24.572 1.00 0.00 H new ATOM 70 N ILE A 8 -10.575 -44.974 25.091 1.00 0.00 N ATOM 71 CA ILE A 8 -9.743 -44.755 26.241 1.00 0.00 C ATOM 72 C ILE A 8 -10.514 -44.035 27.308 1.00 0.00 C ATOM 73 O ILE A 8 -11.015 -42.932 27.095 1.00 0.00 O ATOM 74 CB ILE A 8 -8.465 -44.004 25.855 1.00 0.00 C ATOM 75 CG1 ILE A 8 -7.683 -44.871 24.871 1.00 0.00 C ATOM 76 CG2 ILE A 8 -7.627 -43.667 27.086 1.00 0.00 C ATOM 77 CD1 ILE A 8 -6.499 -44.203 24.265 1.00 0.00 C ATOM 0 H ILE A 8 -10.824 -44.126 24.582 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.437 -45.720 26.644 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.722 -43.054 25.386 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.352 -45.773 25.385 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.354 -45.187 24.072 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.727 -43.134 26.779 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.208 -43.038 27.761 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.347 -44.587 27.599 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.004 -44.891 23.580 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.821 -43.316 23.719 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.803 -43.911 25.052 1.00 0.00 H new ATOM 89 N LYS A 9 -10.606 -44.664 28.451 1.00 0.00 N ATOM 90 CA LYS A 9 -11.425 -44.166 29.509 1.00 0.00 C ATOM 91 C LYS A 9 -10.639 -43.279 30.440 1.00 0.00 C ATOM 92 O LYS A 9 -9.530 -43.609 30.852 1.00 0.00 O ATOM 93 CB LYS A 9 -12.020 -45.338 30.274 1.00 0.00 C ATOM 94 CG LYS A 9 -12.777 -46.314 29.379 1.00 0.00 C ATOM 95 CD LYS A 9 -13.965 -45.660 28.687 1.00 0.00 C ATOM 96 CE LYS A 9 -14.681 -46.643 27.773 1.00 0.00 C ATOM 97 NZ LYS A 9 -15.849 -46.030 27.095 1.00 0.00 N ATOM 0 H LYS A 9 -10.115 -45.531 28.667 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.224 -43.563 29.078 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.221 -45.871 30.789 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.696 -44.958 31.041 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.098 -46.716 28.627 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.126 -47.156 29.977 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.662 -45.282 29.435 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.624 -44.803 28.107 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.982 -47.015 27.024 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.011 -47.503 28.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.305 -46.736 26.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.530 -45.698 27.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.532 -45.225 26.518 1.00 0.00 H new ATOM 111 N GLU A 10 -11.220 -42.160 30.759 1.00 0.00 N ATOM 112 CA GLU A 10 -10.610 -41.214 31.649 1.00 0.00 C ATOM 113 C GLU A 10 -11.253 -41.315 33.015 1.00 0.00 C ATOM 114 O GLU A 10 -12.365 -40.828 33.223 1.00 0.00 O ATOM 115 CB GLU A 10 -10.792 -39.814 31.091 1.00 0.00 C ATOM 116 CG GLU A 10 -10.188 -39.630 29.715 1.00 0.00 C ATOM 117 CD GLU A 10 -10.959 -38.638 28.881 1.00 0.00 C ATOM 118 OE1 GLU A 10 -11.098 -37.478 29.301 1.00 0.00 O ATOM 119 OE2 GLU A 10 -11.463 -39.036 27.810 1.00 0.00 O ATOM 0 H GLU A 10 -12.135 -41.876 30.408 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.546 -41.429 31.742 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.857 -39.585 31.046 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.341 -39.097 31.776 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.156 -39.293 29.815 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.161 -40.591 29.201 1.00 0.00 H new ATOM 126 N ILE A 11 -10.569 -41.951 33.935 1.00 0.00 N ATOM 127 CA ILE A 11 -11.070 -42.077 35.282 1.00 0.00 C ATOM 128 C ILE A 11 -10.574 -40.909 36.131 1.00 0.00 C ATOM 129 O ILE A 11 -9.376 -40.778 36.397 1.00 0.00 O ATOM 130 CB ILE A 11 -10.696 -43.457 35.918 1.00 0.00 C ATOM 131 CG1 ILE A 11 -11.508 -44.576 35.241 1.00 0.00 C ATOM 132 CG2 ILE A 11 -10.922 -43.458 37.429 1.00 0.00 C ATOM 133 CD1 ILE A 11 -11.170 -45.973 35.735 1.00 0.00 C ATOM 0 H ILE A 11 -9.662 -42.390 33.775 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.159 -42.042 35.248 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.634 -43.636 35.752 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.569 -44.391 35.406 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.340 -44.532 34.165 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.652 -44.432 37.837 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.304 -42.688 37.890 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.972 -43.255 37.640 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.785 -46.704 35.209 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.117 -46.181 35.545 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.365 -46.038 36.805 1.00 0.00 H new ATOM 145 N LYS A 12 -11.507 -40.042 36.509 1.00 0.00 N ATOM 146 CA LYS A 12 -11.195 -38.846 37.274 1.00 0.00 C ATOM 147 C LYS A 12 -11.142 -39.123 38.765 1.00 0.00 C ATOM 148 O LYS A 12 -11.984 -39.843 39.321 1.00 0.00 O ATOM 149 CB LYS A 12 -12.182 -37.716 36.959 1.00 0.00 C ATOM 150 CG LYS A 12 -11.899 -36.416 37.709 1.00 0.00 C ATOM 151 CD LYS A 12 -12.828 -35.304 37.254 1.00 0.00 C ATOM 152 CE LYS A 12 -12.549 -33.996 37.983 1.00 0.00 C ATOM 153 NZ LYS A 12 -13.377 -32.882 37.457 1.00 0.00 N ATOM 0 H LYS A 12 -12.498 -40.150 36.293 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.200 -38.522 36.971 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.161 -37.517 35.888 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.191 -38.051 37.201 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.019 -36.578 38.780 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.863 -36.117 37.546 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.714 -35.153 36.181 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.862 -35.602 37.426 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.747 -34.124 39.047 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.494 -33.743 37.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.634 -32.243 38.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.836 -32.356 36.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.241 -33.266 37.025 1.00 0.00 H new ATOM 167 N LEU A 13 -10.148 -38.542 39.392 1.00 0.00 N ATOM 168 CA LEU A 13 -9.886 -38.712 40.795 1.00 0.00 C ATOM 169 C LEU A 13 -9.789 -37.350 41.466 1.00 0.00 C ATOM 170 O LEU A 13 -9.857 -36.311 40.798 1.00 0.00 O ATOM 171 CB LEU A 13 -8.569 -39.455 40.949 1.00 0.00 C ATOM 172 CG LEU A 13 -8.520 -40.832 40.297 1.00 0.00 C ATOM 173 CD1 LEU A 13 -7.103 -41.350 40.274 1.00 0.00 C ATOM 174 CD2 LEU A 13 -9.428 -41.804 41.034 1.00 0.00 C ATOM 0 H LEU A 13 -9.484 -37.923 38.926 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.692 -39.277 41.262 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.773 -38.842 40.526 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.355 -39.566 42.012 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.875 -40.741 39.270 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.083 -42.334 39.806 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.474 -40.665 39.706 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.727 -41.426 41.294 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.380 -42.782 40.554 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.102 -41.892 42.070 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.454 -41.436 41.006 1.00 0.00 H new ATOM 186 N SER A 14 -9.632 -37.347 42.773 1.00 0.00 N ATOM 187 CA SER A 14 -9.510 -36.118 43.513 1.00 0.00 C ATOM 188 C SER A 14 -8.589 -36.331 44.691 1.00 0.00 C ATOM 189 O SER A 14 -8.506 -37.426 45.210 1.00 0.00 O ATOM 190 CB SER A 14 -10.889 -35.663 43.987 1.00 0.00 C ATOM 191 OG SER A 14 -11.572 -36.724 44.650 1.00 0.00 O ATOM 0 H SER A 14 -9.586 -38.191 43.344 1.00 0.00 H new ATOM 0 HA SER A 14 -9.090 -35.343 42.872 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.784 -34.814 44.662 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.477 -35.322 43.135 1.00 0.00 H new ATOM 0 HG SER A 14 -12.452 -36.411 44.947 1.00 0.00 H new ATOM 197 N VAL A 15 -7.879 -35.296 45.095 1.00 0.00 N ATOM 198 CA VAL A 15 -7.006 -35.386 46.251 1.00 0.00 C ATOM 199 C VAL A 15 -7.834 -35.630 47.512 1.00 0.00 C ATOM 200 O VAL A 15 -7.476 -36.454 48.352 1.00 0.00 O ATOM 201 CB VAL A 15 -6.121 -34.131 46.397 1.00 0.00 C ATOM 202 CG1 VAL A 15 -5.314 -34.174 47.680 1.00 0.00 C ATOM 203 CG2 VAL A 15 -5.193 -34.016 45.208 1.00 0.00 C ATOM 0 H VAL A 15 -7.889 -34.383 44.641 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.333 -36.231 46.105 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.773 -33.258 46.436 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.700 -33.276 47.754 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.990 -34.223 48.534 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.671 -35.054 47.676 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.571 -33.128 45.317 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.558 -34.900 45.155 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.781 -33.937 44.294 1.00 0.00 H new ATOM 213 N LYS A 16 -8.947 -34.917 47.633 1.00 0.00 N ATOM 214 CA LYS A 16 -9.874 -35.139 48.719 1.00 0.00 C ATOM 215 C LYS A 16 -10.768 -36.343 48.396 1.00 0.00 C ATOM 216 O LYS A 16 -11.976 -36.208 48.229 1.00 0.00 O ATOM 217 CB LYS A 16 -10.741 -33.892 48.984 1.00 0.00 C ATOM 218 CG LYS A 16 -10.009 -32.719 49.637 1.00 0.00 C ATOM 219 CD LYS A 16 -9.339 -31.792 48.622 1.00 0.00 C ATOM 220 CE LYS A 16 -8.712 -30.584 49.318 1.00 0.00 C ATOM 221 NZ LYS A 16 -8.103 -29.628 48.359 1.00 0.00 N ATOM 0 H LYS A 16 -9.224 -34.179 46.986 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.298 -35.342 49.622 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.163 -33.555 48.038 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.577 -34.179 49.622 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.716 -32.144 50.234 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.254 -33.105 50.322 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.572 -32.340 48.074 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.074 -31.455 47.891 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.474 -30.070 49.904 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.950 -30.927 50.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.521 -28.940 48.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.507 -30.147 47.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.855 -29.127 47.844 1.00 0.00 H new ATOM 235 N ILE A 17 -10.151 -37.500 48.270 1.00 0.00 N ATOM 236 CA ILE A 17 -10.858 -38.728 47.948 1.00 0.00 C ATOM 237 C ILE A 17 -10.804 -39.705 49.125 1.00 0.00 C ATOM 238 O ILE A 17 -9.881 -39.650 49.946 1.00 0.00 O ATOM 239 CB ILE A 17 -10.233 -39.395 46.691 1.00 0.00 C ATOM 240 CG1 ILE A 17 -11.072 -40.579 46.208 1.00 0.00 C ATOM 241 CG2 ILE A 17 -8.794 -39.833 46.967 1.00 0.00 C ATOM 242 CD1 ILE A 17 -10.644 -41.110 44.858 1.00 0.00 C ATOM 0 H ILE A 17 -9.145 -37.618 48.388 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.899 -38.477 47.743 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.221 -38.650 45.896 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.009 -41.382 46.942 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.118 -40.276 46.156 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.377 -40.297 46.073 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.195 -38.964 47.238 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.783 -40.551 47.787 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.282 -41.948 44.578 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.733 -40.321 44.112 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.608 -41.444 44.910 1.00 0.00 H new ATOM 254 N ALA A 18 -11.806 -40.556 49.229 1.00 0.00 N ATOM 255 CA ALA A 18 -11.829 -41.582 50.252 1.00 0.00 C ATOM 256 C ALA A 18 -11.121 -42.827 49.740 1.00 0.00 C ATOM 257 O ALA A 18 -11.127 -43.099 48.539 1.00 0.00 O ATOM 258 CB ALA A 18 -13.261 -41.904 50.656 1.00 0.00 C ATOM 0 H ALA A 18 -12.619 -40.556 48.613 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.307 -41.216 51.136 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.257 -42.677 51.425 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.740 -41.006 51.046 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.813 -42.261 49.786 1.00 0.00 H new ATOM 264 N GLN A 19 -10.524 -43.582 50.641 1.00 0.00 N ATOM 265 CA GLN A 19 -9.763 -44.761 50.261 1.00 0.00 C ATOM 266 C GLN A 19 -10.657 -45.824 49.612 1.00 0.00 C ATOM 267 O GLN A 19 -10.239 -46.517 48.678 1.00 0.00 O ATOM 268 CB GLN A 19 -9.016 -45.327 51.467 1.00 0.00 C ATOM 269 CG GLN A 19 -8.109 -46.494 51.131 1.00 0.00 C ATOM 270 CD GLN A 19 -7.022 -46.107 50.147 1.00 0.00 C ATOM 271 OE1 GLN A 19 -6.564 -44.969 50.128 1.00 0.00 O ATOM 272 NE2 GLN A 19 -6.602 -47.048 49.330 1.00 0.00 N ATOM 0 H GLN A 19 -10.550 -43.401 51.645 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.028 -44.460 49.514 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.420 -44.534 51.919 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.742 -45.646 52.215 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.652 -46.872 52.045 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.704 -47.306 50.713 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.008 -47.983 49.377 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.870 -46.843 48.650 1.00 0.00 H new ATOM 281 N ASN A 20 -11.886 -45.952 50.101 1.00 0.00 N ATOM 282 CA ASN A 20 -12.834 -46.910 49.528 1.00 0.00 C ATOM 283 C ASN A 20 -13.157 -46.564 48.070 1.00 0.00 C ATOM 284 O ASN A 20 -13.263 -47.452 47.220 1.00 0.00 O ATOM 285 CB ASN A 20 -14.128 -47.030 50.382 1.00 0.00 C ATOM 286 CG ASN A 20 -14.786 -45.694 50.738 1.00 0.00 C ATOM 287 OD1 ASN A 20 -14.669 -44.710 50.022 1.00 0.00 O ATOM 288 ND2 ASN A 20 -15.483 -45.662 51.863 1.00 0.00 N ATOM 0 H ASN A 20 -12.250 -45.411 50.886 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.352 -47.888 49.541 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.849 -47.642 49.840 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.890 -47.560 51.305 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.942 -44.799 52.154 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.561 -46.501 52.438 1.00 0.00 H new ATOM 295 N ASP A 21 -13.287 -45.275 47.789 1.00 0.00 N ATOM 296 CA ASP A 21 -13.564 -44.793 46.441 1.00 0.00 C ATOM 297 C ASP A 21 -12.395 -45.110 45.515 1.00 0.00 C ATOM 298 O ASP A 21 -12.598 -45.479 44.353 1.00 0.00 O ATOM 299 CB ASP A 21 -13.858 -43.286 46.460 1.00 0.00 C ATOM 300 CG ASP A 21 -14.322 -42.740 45.125 1.00 0.00 C ATOM 301 OD1 ASP A 21 -15.406 -43.141 44.665 1.00 0.00 O ATOM 302 OD2 ASP A 21 -13.634 -41.871 44.553 1.00 0.00 O ATOM 0 H ASP A 21 -13.204 -44.535 48.486 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.448 -45.305 46.060 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.622 -43.083 47.211 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.958 -42.753 46.768 1.00 0.00 H new ATOM 307 N ILE A 22 -11.171 -44.987 46.045 1.00 0.00 N ATOM 308 CA ILE A 22 -9.974 -45.307 45.273 1.00 0.00 C ATOM 309 C ILE A 22 -9.989 -46.781 44.901 1.00 0.00 C ATOM 310 O ILE A 22 -9.805 -47.139 43.747 1.00 0.00 O ATOM 311 CB ILE A 22 -8.671 -45.032 46.082 1.00 0.00 C ATOM 312 CG1 ILE A 22 -8.489 -43.541 46.362 1.00 0.00 C ATOM 313 CG2 ILE A 22 -7.450 -45.581 45.348 1.00 0.00 C ATOM 314 CD1 ILE A 22 -7.329 -43.248 47.297 1.00 0.00 C ATOM 0 H ILE A 22 -10.989 -44.671 46.997 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.981 -44.673 44.386 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.768 -45.547 47.038 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.329 -43.017 45.420 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.407 -43.144 46.796 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.552 -45.377 45.932 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.559 -46.657 45.214 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.365 -45.101 44.373 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.253 -42.172 47.456 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.497 -43.745 48.252 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.403 -43.616 46.855 1.00 0.00 H new ATOM 326 N ASN A 23 -10.283 -47.621 45.882 1.00 0.00 N ATOM 327 CA ASN A 23 -10.275 -49.064 45.689 1.00 0.00 C ATOM 328 C ASN A 23 -11.268 -49.482 44.636 1.00 0.00 C ATOM 329 O ASN A 23 -10.965 -50.304 43.763 1.00 0.00 O ATOM 330 CB ASN A 23 -10.638 -49.767 46.997 1.00 0.00 C ATOM 331 CG ASN A 23 -9.449 -50.025 47.898 1.00 0.00 C ATOM 332 OD1 ASN A 23 -8.816 -51.069 47.826 1.00 0.00 O ATOM 333 ND2 ASN A 23 -9.143 -49.080 48.767 1.00 0.00 N ATOM 0 H ASN A 23 -10.532 -47.326 46.826 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.272 -49.346 45.368 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.366 -49.160 47.536 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.122 -50.716 46.767 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.358 -49.209 49.405 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.692 -48.221 48.801 1.00 0.00 H new ATOM 340 N TYR A 24 -12.441 -48.911 44.716 1.00 0.00 N ATOM 341 CA TYR A 24 -13.511 -49.222 43.809 1.00 0.00 C ATOM 342 C TYR A 24 -13.185 -48.801 42.358 1.00 0.00 C ATOM 343 O TYR A 24 -13.328 -49.600 41.426 1.00 0.00 O ATOM 344 CB TYR A 24 -14.792 -48.574 44.323 1.00 0.00 C ATOM 345 CG TYR A 24 -15.997 -48.808 43.465 1.00 0.00 C ATOM 346 CD1 TYR A 24 -16.673 -50.001 43.541 1.00 0.00 C ATOM 347 CD2 TYR A 24 -16.470 -47.833 42.608 1.00 0.00 C ATOM 348 CE1 TYR A 24 -17.785 -50.243 42.778 1.00 0.00 C ATOM 349 CE2 TYR A 24 -17.592 -48.058 41.828 1.00 0.00 C ATOM 350 CZ TYR A 24 -18.247 -49.272 41.926 1.00 0.00 C ATOM 351 OH TYR A 24 -19.366 -49.515 41.163 1.00 0.00 O ATOM 0 H TYR A 24 -12.681 -48.212 45.419 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.648 -50.303 43.774 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.997 -48.950 45.325 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.629 -47.500 44.413 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -16.320 -50.766 44.217 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.959 -46.884 42.546 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -18.295 -51.193 42.847 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.951 -47.296 41.152 1.00 0.00 H new ATOM 0 HH TYR A 24 -19.564 -48.728 40.613 1.00 0.00 H new ATOM 361 N LYS A 25 -12.732 -47.562 42.174 1.00 0.00 N ATOM 362 CA LYS A 25 -12.407 -47.045 40.839 1.00 0.00 C ATOM 363 C LYS A 25 -11.225 -47.777 40.209 1.00 0.00 C ATOM 364 O LYS A 25 -11.243 -48.085 39.017 1.00 0.00 O ATOM 365 CB LYS A 25 -12.169 -45.540 40.892 1.00 0.00 C ATOM 366 CG LYS A 25 -13.430 -44.757 41.190 1.00 0.00 C ATOM 367 CD LYS A 25 -13.150 -43.281 41.365 1.00 0.00 C ATOM 368 CE LYS A 25 -14.433 -42.511 41.606 1.00 0.00 C ATOM 369 NZ LYS A 25 -14.172 -41.104 41.996 1.00 0.00 N ATOM 0 H LYS A 25 -12.581 -46.895 42.931 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.266 -47.233 40.195 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.422 -45.321 41.655 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.757 -45.208 39.939 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.144 -44.897 40.379 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.895 -45.148 42.095 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.470 -43.133 42.204 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.650 -42.894 40.477 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.042 -42.530 40.702 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.010 -43.003 42.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.055 -40.558 41.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.811 -41.075 42.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.466 -40.691 41.353 1.00 0.00 H new ATOM 383 N VAL A 26 -10.206 -48.061 41.012 1.00 0.00 N ATOM 384 CA VAL A 26 -9.033 -48.799 40.539 1.00 0.00 C ATOM 385 C VAL A 26 -9.440 -50.201 40.106 1.00 0.00 C ATOM 386 O VAL A 26 -8.968 -50.717 39.095 1.00 0.00 O ATOM 387 CB VAL A 26 -7.919 -48.884 41.617 1.00 0.00 C ATOM 388 CG1 VAL A 26 -6.720 -49.630 41.084 1.00 0.00 C ATOM 389 CG2 VAL A 26 -7.506 -47.496 42.055 1.00 0.00 C ATOM 0 H VAL A 26 -10.165 -47.793 41.995 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.626 -48.252 39.689 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.315 -49.426 42.476 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.950 -49.679 41.854 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.016 -50.640 40.802 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.327 -49.110 40.210 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.724 -47.571 42.811 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.129 -46.941 41.196 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.367 -46.975 42.474 1.00 0.00 H new ATOM 399 N LYS A 27 -10.332 -50.809 40.880 1.00 0.00 N ATOM 400 CA LYS A 27 -10.837 -52.138 40.570 1.00 0.00 C ATOM 401 C LYS A 27 -11.523 -52.141 39.206 1.00 0.00 C ATOM 402 O LYS A 27 -11.288 -53.018 38.378 1.00 0.00 O ATOM 403 CB LYS A 27 -11.844 -52.568 41.633 1.00 0.00 C ATOM 404 CG LYS A 27 -12.375 -53.976 41.436 1.00 0.00 C ATOM 405 CD LYS A 27 -13.401 -54.344 42.495 1.00 0.00 C ATOM 406 CE LYS A 27 -14.694 -53.566 42.306 1.00 0.00 C ATOM 407 NZ LYS A 27 -15.744 -53.986 43.265 1.00 0.00 N ATOM 0 H LYS A 27 -10.720 -50.399 41.730 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.997 -52.832 40.552 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.374 -52.500 42.614 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.681 -51.870 41.631 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.827 -54.059 40.447 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.548 -54.685 41.469 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.607 -55.413 42.448 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.993 -54.141 43.485 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.497 -52.501 42.429 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.056 -53.708 41.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.607 -53.430 43.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.952 -54.996 43.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.410 -53.827 44.237 1.00 0.00 H new ATOM 421 N HIS A 28 -12.353 -51.135 38.982 1.00 0.00 N ATOM 422 CA HIS A 28 -13.110 -50.991 37.741 1.00 0.00 C ATOM 423 C HIS A 28 -12.188 -50.748 36.549 1.00 0.00 C ATOM 424 O HIS A 28 -12.490 -51.157 35.425 1.00 0.00 O ATOM 425 CB HIS A 28 -14.128 -49.856 37.887 1.00 0.00 C ATOM 426 CG HIS A 28 -15.121 -49.767 36.774 1.00 0.00 C ATOM 427 ND1 HIS A 28 -15.771 -48.603 36.442 1.00 0.00 N ATOM 428 CD2 HIS A 28 -15.599 -50.712 35.933 1.00 0.00 C ATOM 429 CE1 HIS A 28 -16.606 -48.835 35.448 1.00 0.00 C ATOM 430 NE2 HIS A 28 -16.520 -50.104 35.119 1.00 0.00 N ATOM 0 H HIS A 28 -12.524 -50.390 39.657 1.00 0.00 H new ATOM 0 HA HIS A 28 -13.642 -51.923 37.550 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -14.665 -49.985 38.827 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.591 -48.910 37.954 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.309 -51.752 35.907 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -17.252 -48.105 34.983 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -17.052 -50.562 34.379 1.00 0.00 H new ATOM 438 N ALA A 29 -11.068 -50.083 36.800 1.00 0.00 N ATOM 439 CA ALA A 29 -10.079 -49.814 35.761 1.00 0.00 C ATOM 440 C ALA A 29 -9.585 -51.113 35.127 1.00 0.00 C ATOM 441 O ALA A 29 -9.269 -51.155 33.938 1.00 0.00 O ATOM 442 CB ALA A 29 -8.905 -49.042 36.335 1.00 0.00 C ATOM 0 H ALA A 29 -10.820 -49.718 37.719 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.559 -49.212 34.989 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.176 -48.849 35.548 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.257 -48.095 36.743 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.437 -49.627 37.127 1.00 0.00 H new ATOM 448 N LEU A 30 -9.549 -52.175 35.930 1.00 0.00 N ATOM 449 CA LEU A 30 -9.084 -53.472 35.469 1.00 0.00 C ATOM 450 C LEU A 30 -9.979 -54.010 34.345 1.00 0.00 C ATOM 451 O LEU A 30 -9.483 -54.581 33.379 1.00 0.00 O ATOM 452 CB LEU A 30 -9.017 -54.471 36.631 1.00 0.00 C ATOM 453 CG LEU A 30 -7.989 -54.152 37.732 1.00 0.00 C ATOM 454 CD1 LEU A 30 -8.100 -55.135 38.884 1.00 0.00 C ATOM 455 CD2 LEU A 30 -6.573 -54.152 37.172 1.00 0.00 C ATOM 0 H LEU A 30 -9.839 -52.157 36.908 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.078 -53.344 35.069 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.004 -54.533 37.089 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.792 -55.457 36.225 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.210 -53.154 38.111 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.362 -54.886 39.647 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.100 -55.080 39.314 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.917 -56.146 38.519 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.866 -53.924 37.970 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.346 -55.134 36.756 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.491 -53.398 36.389 1.00 0.00 H new ATOM 467 N GLU A 31 -11.301 -53.815 34.475 1.00 0.00 N ATOM 468 CA GLU A 31 -12.258 -54.257 33.459 1.00 0.00 C ATOM 469 C GLU A 31 -11.908 -53.712 32.080 1.00 0.00 C ATOM 470 O GLU A 31 -11.901 -54.452 31.097 1.00 0.00 O ATOM 471 CB GLU A 31 -13.688 -53.814 33.828 1.00 0.00 C ATOM 472 CG GLU A 31 -14.402 -54.727 34.801 1.00 0.00 C ATOM 473 CD GLU A 31 -13.844 -54.671 36.195 1.00 0.00 C ATOM 474 OE1 GLU A 31 -14.306 -53.834 36.991 1.00 0.00 O ATOM 475 OE2 GLU A 31 -12.951 -55.487 36.510 1.00 0.00 O ATOM 0 H GLU A 31 -11.728 -53.352 35.278 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.207 -55.345 33.427 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.644 -52.812 34.256 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.279 -53.745 32.915 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.458 -54.459 34.830 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.343 -55.752 34.435 1.00 0.00 H new ATOM 482 N PHE A 32 -11.619 -52.428 32.014 1.00 0.00 N ATOM 483 CA PHE A 32 -11.288 -51.785 30.746 1.00 0.00 C ATOM 484 C PHE A 32 -9.949 -52.272 30.201 1.00 0.00 C ATOM 485 O PHE A 32 -9.783 -52.439 28.988 1.00 0.00 O ATOM 486 CB PHE A 32 -11.296 -50.270 30.890 1.00 0.00 C ATOM 487 CG PHE A 32 -12.652 -49.721 31.222 1.00 0.00 C ATOM 488 CD1 PHE A 32 -13.611 -49.568 30.234 1.00 0.00 C ATOM 489 CD2 PHE A 32 -12.973 -49.361 32.524 1.00 0.00 C ATOM 490 CE1 PHE A 32 -14.862 -49.071 30.536 1.00 0.00 C ATOM 491 CE2 PHE A 32 -14.223 -48.865 32.829 1.00 0.00 C ATOM 492 CZ PHE A 32 -15.169 -48.718 31.834 1.00 0.00 C ATOM 0 H PHE A 32 -11.605 -51.804 32.821 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.056 -52.065 30.025 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.592 -49.981 31.670 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.945 -49.820 29.961 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -13.377 -49.841 29.216 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -12.236 -49.471 33.306 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -15.601 -48.958 29.756 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -14.462 -48.592 33.846 1.00 0.00 H new ATOM 0 HZ PHE A 32 -16.148 -48.327 32.071 1.00 0.00 H new ATOM 502 N LEU A 33 -9.000 -52.503 31.096 1.00 0.00 N ATOM 503 CA LEU A 33 -7.674 -52.975 30.710 1.00 0.00 C ATOM 504 C LEU A 33 -7.776 -54.355 30.064 1.00 0.00 C ATOM 505 O LEU A 33 -7.137 -54.637 29.051 1.00 0.00 O ATOM 506 CB LEU A 33 -6.765 -53.034 31.937 1.00 0.00 C ATOM 507 CG LEU A 33 -6.417 -51.684 32.573 1.00 0.00 C ATOM 508 CD1 LEU A 33 -5.690 -51.889 33.887 1.00 0.00 C ATOM 509 CD2 LEU A 33 -5.572 -50.840 31.628 1.00 0.00 C ATOM 0 H LEU A 33 -9.122 -52.371 32.100 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.247 -52.280 29.987 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.245 -53.657 32.692 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.837 -53.532 31.655 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.348 -51.151 32.767 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.450 -50.920 34.325 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.327 -52.449 34.572 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.769 -52.445 33.711 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.338 -49.887 32.102 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.646 -51.368 31.398 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.126 -50.661 30.707 1.00 0.00 H new ATOM 521 N GLU A 34 -8.603 -55.202 30.653 1.00 0.00 N ATOM 522 CA GLU A 34 -8.854 -56.549 30.149 1.00 0.00 C ATOM 523 C GLU A 34 -9.468 -56.508 28.749 1.00 0.00 C ATOM 524 O GLU A 34 -9.268 -57.425 27.939 1.00 0.00 O ATOM 525 CB GLU A 34 -9.774 -57.299 31.109 1.00 0.00 C ATOM 526 CG GLU A 34 -9.144 -57.593 32.463 1.00 0.00 C ATOM 527 CD GLU A 34 -8.110 -58.699 32.408 1.00 0.00 C ATOM 528 OE1 GLU A 34 -7.171 -58.617 31.584 1.00 0.00 O ATOM 529 OE2 GLU A 34 -8.229 -59.656 33.199 1.00 0.00 O ATOM 0 H GLU A 34 -9.124 -54.977 31.500 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.901 -57.074 30.082 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.680 -56.713 31.260 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.076 -58.239 30.648 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.677 -56.685 32.845 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.927 -57.870 33.169 1.00 0.00 H new ATOM 536 N GLN A 35 -10.218 -55.441 28.475 1.00 0.00 N ATOM 537 CA GLN A 35 -10.825 -55.228 27.171 1.00 0.00 C ATOM 538 C GLN A 35 -9.767 -54.806 26.150 1.00 0.00 C ATOM 539 O GLN A 35 -10.039 -54.742 24.947 1.00 0.00 O ATOM 540 CB GLN A 35 -11.898 -54.141 27.263 1.00 0.00 C ATOM 541 CG GLN A 35 -13.100 -54.521 28.102 1.00 0.00 C ATOM 542 CD GLN A 35 -14.100 -53.387 28.249 1.00 0.00 C ATOM 543 OE1 GLN A 35 -14.171 -52.490 27.409 1.00 0.00 O ATOM 544 NE2 GLN A 35 -14.871 -53.413 29.322 1.00 0.00 N ATOM 0 H GLN A 35 -10.419 -54.705 29.152 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.280 -56.164 26.848 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.450 -53.239 27.679 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.236 -53.894 26.256 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.596 -55.380 27.649 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.763 -54.832 29.091 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.782 -54.174 29.996 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.555 -52.672 29.477 1.00 0.00 H new ATOM 553 N GLY A 36 -8.569 -54.520 26.634 1.00 0.00 N ATOM 554 CA GLY A 36 -7.508 -54.086 25.771 1.00 0.00 C ATOM 555 C GLY A 36 -7.503 -52.584 25.603 1.00 0.00 C ATOM 556 O GLY A 36 -6.871 -52.054 24.690 1.00 0.00 O ATOM 0 H GLY A 36 -8.318 -54.584 27.620 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.551 -54.410 26.180 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.615 -54.561 24.796 1.00 0.00 H new ATOM 560 N LYS A 37 -8.200 -51.888 26.485 1.00 0.00 N ATOM 561 CA LYS A 37 -8.282 -50.444 26.399 1.00 0.00 C ATOM 562 C LYS A 37 -7.327 -49.780 27.363 1.00 0.00 C ATOM 563 O LYS A 37 -6.694 -50.441 28.184 1.00 0.00 O ATOM 564 CB LYS A 37 -9.689 -49.958 26.669 1.00 0.00 C ATOM 565 CG LYS A 37 -10.713 -50.500 25.713 1.00 0.00 C ATOM 566 CD LYS A 37 -12.053 -49.865 25.960 1.00 0.00 C ATOM 567 CE LYS A 37 -13.151 -50.533 25.143 1.00 0.00 C ATOM 568 NZ LYS A 37 -12.888 -50.501 23.675 1.00 0.00 N ATOM 0 H LYS A 37 -8.714 -52.299 27.264 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.002 -50.170 25.382 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.971 -50.237 27.684 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.702 -48.869 26.622 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.398 -50.310 24.687 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.790 -51.581 25.828 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.297 -49.931 27.020 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.006 -48.805 25.709 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.256 -51.569 25.465 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.100 -50.038 25.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.513 -49.801 23.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.896 -50.239 23.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.072 -51.441 23.269 1.00 0.00 H new ATOM 582 N HIS A 38 -7.227 -48.472 27.267 1.00 0.00 N ATOM 583 CA HIS A 38 -6.330 -47.718 28.122 1.00 0.00 C ATOM 584 C HIS A 38 -7.130 -46.875 29.092 1.00 0.00 C ATOM 585 O HIS A 38 -8.254 -46.453 28.782 1.00 0.00 O ATOM 586 CB HIS A 38 -5.414 -46.790 27.296 1.00 0.00 C ATOM 587 CG HIS A 38 -4.455 -47.485 26.362 1.00 0.00 C ATOM 588 ND1 HIS A 38 -3.315 -46.878 25.871 1.00 0.00 N ATOM 589 CD2 HIS A 38 -4.483 -48.715 25.796 1.00 0.00 C ATOM 590 CE1 HIS A 38 -2.693 -47.704 25.052 1.00 0.00 C ATOM 591 NE2 HIS A 38 -3.379 -48.822 24.990 1.00 0.00 N ATOM 0 H HIS A 38 -7.756 -47.905 26.604 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.710 -48.433 28.664 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.041 -46.118 26.710 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.839 -46.171 27.984 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.237 -49.473 25.951 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.775 -47.496 24.522 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.130 -49.639 24.432 1.00 0.00 H new ATOM 599 N VAL A 39 -6.571 -46.641 30.258 1.00 0.00 N ATOM 600 CA VAL A 39 -7.199 -45.782 31.238 1.00 0.00 C ATOM 601 C VAL A 39 -6.301 -44.604 31.529 1.00 0.00 C ATOM 602 O VAL A 39 -5.096 -44.766 31.762 1.00 0.00 O ATOM 603 CB VAL A 39 -7.528 -46.521 32.575 1.00 0.00 C ATOM 604 CG1 VAL A 39 -7.912 -45.528 33.664 1.00 0.00 C ATOM 605 CG2 VAL A 39 -8.665 -47.500 32.379 1.00 0.00 C ATOM 0 H VAL A 39 -5.678 -47.036 30.552 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.145 -45.451 30.809 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.632 -47.061 32.880 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.136 -46.067 34.585 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.084 -44.841 33.838 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.791 -44.965 33.350 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.878 -48.004 33.322 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.553 -46.964 32.045 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.384 -48.239 31.628 1.00 0.00 H new ATOM 615 N ARG A 40 -6.867 -43.427 31.483 1.00 0.00 N ATOM 616 CA ARG A 40 -6.134 -42.236 31.804 1.00 0.00 C ATOM 617 C ARG A 40 -6.649 -41.706 33.121 1.00 0.00 C ATOM 618 O ARG A 40 -7.792 -41.257 33.216 1.00 0.00 O ATOM 619 CB ARG A 40 -6.284 -41.174 30.702 1.00 0.00 C ATOM 620 CG ARG A 40 -5.292 -40.024 30.816 1.00 0.00 C ATOM 621 CD ARG A 40 -5.429 -39.056 29.649 1.00 0.00 C ATOM 622 NE ARG A 40 -4.393 -38.021 29.668 1.00 0.00 N ATOM 623 CZ ARG A 40 -4.405 -36.923 28.902 1.00 0.00 C ATOM 624 NH1 ARG A 40 -5.390 -36.716 28.031 1.00 0.00 N ATOM 625 NH2 ARG A 40 -3.427 -36.030 29.006 1.00 0.00 N ATOM 0 H ARG A 40 -7.841 -43.270 31.224 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.073 -42.472 31.880 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.161 -41.652 29.730 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.297 -40.772 30.733 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.455 -39.492 31.753 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.276 -40.419 30.846 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.372 -39.609 28.711 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.412 -38.586 29.682 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.609 -38.145 30.308 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.144 -37.397 27.943 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.391 -35.876 27.452 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.667 -36.181 29.669 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.436 -35.193 28.422 1.00 0.00 H new ATOM 639 N PHE A 41 -5.824 -41.780 34.134 1.00 0.00 N ATOM 640 CA PHE A 41 -6.204 -41.313 35.443 1.00 0.00 C ATOM 641 C PHE A 41 -5.939 -39.835 35.518 1.00 0.00 C ATOM 642 O PHE A 41 -4.808 -39.399 35.346 1.00 0.00 O ATOM 643 CB PHE A 41 -5.410 -42.053 36.530 1.00 0.00 C ATOM 644 CG PHE A 41 -5.588 -43.551 36.518 1.00 0.00 C ATOM 645 CD1 PHE A 41 -4.767 -44.355 35.745 1.00 0.00 C ATOM 646 CD2 PHE A 41 -6.558 -44.155 37.312 1.00 0.00 C ATOM 647 CE1 PHE A 41 -4.924 -45.724 35.740 1.00 0.00 C ATOM 648 CE2 PHE A 41 -6.715 -45.527 37.308 1.00 0.00 C ATOM 649 CZ PHE A 41 -5.894 -46.312 36.529 1.00 0.00 C ATOM 0 H PHE A 41 -4.880 -42.161 34.077 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.263 -41.509 35.610 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.351 -41.824 36.410 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.710 -41.671 37.506 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.995 -43.904 35.139 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.194 -43.545 37.937 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.288 -46.338 35.119 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.482 -45.985 37.916 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.008 -47.386 36.535 1.00 0.00 H new ATOM 659 N ARG A 42 -6.978 -39.063 35.751 1.00 0.00 N ATOM 660 CA ARG A 42 -6.842 -37.620 35.791 1.00 0.00 C ATOM 661 C ARG A 42 -7.378 -37.097 37.106 1.00 0.00 C ATOM 662 O ARG A 42 -8.469 -37.466 37.524 1.00 0.00 O ATOM 663 CB ARG A 42 -7.602 -36.978 34.620 1.00 0.00 C ATOM 664 CG ARG A 42 -7.418 -37.707 33.288 1.00 0.00 C ATOM 665 CD ARG A 42 -7.984 -36.913 32.124 1.00 0.00 C ATOM 666 NE ARG A 42 -9.391 -36.562 32.323 1.00 0.00 N ATOM 667 CZ ARG A 42 -9.977 -35.481 31.795 1.00 0.00 C ATOM 668 NH1 ARG A 42 -9.275 -34.630 31.049 1.00 0.00 N ATOM 669 NH2 ARG A 42 -11.256 -35.242 32.040 1.00 0.00 N ATOM 0 H ARG A 42 -7.924 -39.407 35.915 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.787 -37.361 35.702 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.664 -36.947 34.862 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.271 -35.946 34.507 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.357 -37.892 33.119 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.908 -38.680 33.336 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.400 -36.002 31.990 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.883 -37.494 31.207 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.961 -37.180 32.901 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.284 -34.800 30.877 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.728 -33.808 30.650 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.790 -35.881 32.629 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.707 -34.419 31.640 1.00 0.00 H new ATOM 683 N VAL A 43 -6.632 -36.238 37.745 1.00 0.00 N ATOM 684 CA VAL A 43 -7.041 -35.704 39.027 1.00 0.00 C ATOM 685 C VAL A 43 -7.057 -34.188 39.008 1.00 0.00 C ATOM 686 O VAL A 43 -6.112 -33.548 38.533 1.00 0.00 O ATOM 687 CB VAL A 43 -6.136 -36.215 40.189 1.00 0.00 C ATOM 688 CG1 VAL A 43 -4.665 -35.970 39.893 1.00 0.00 C ATOM 689 CG2 VAL A 43 -6.529 -35.572 41.510 1.00 0.00 C ATOM 0 H VAL A 43 -5.736 -35.889 37.404 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.054 -36.064 39.208 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.288 -37.291 40.273 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.061 -36.338 40.722 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.385 -36.495 38.980 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.493 -34.901 39.764 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.882 -35.946 42.303 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.422 -34.490 41.434 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.565 -35.819 41.741 1.00 0.00 H new ATOM 699 N PHE A 44 -8.141 -33.625 39.499 1.00 0.00 N ATOM 700 CA PHE A 44 -8.284 -32.194 39.575 1.00 0.00 C ATOM 701 C PHE A 44 -8.050 -31.733 40.999 1.00 0.00 C ATOM 702 O PHE A 44 -8.656 -32.252 41.942 1.00 0.00 O ATOM 703 CB PHE A 44 -9.673 -31.761 39.091 1.00 0.00 C ATOM 704 CG PHE A 44 -9.908 -30.274 39.143 1.00 0.00 C ATOM 705 CD1 PHE A 44 -9.394 -29.446 38.159 1.00 0.00 C ATOM 706 CD2 PHE A 44 -10.641 -29.709 40.176 1.00 0.00 C ATOM 707 CE1 PHE A 44 -9.605 -28.082 38.201 1.00 0.00 C ATOM 708 CE2 PHE A 44 -10.853 -28.344 40.226 1.00 0.00 C ATOM 709 CZ PHE A 44 -10.339 -27.530 39.235 1.00 0.00 C ATOM 0 H PHE A 44 -8.942 -34.147 39.854 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.542 -31.731 38.925 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.812 -32.104 38.066 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.429 -32.259 39.699 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.821 -29.872 37.349 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.050 -30.342 40.949 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.198 -27.447 37.428 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.420 -27.914 41.039 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.510 -26.464 39.268 1.00 0.00 H new ATOM 719 N LEU A 45 -7.166 -30.779 41.156 1.00 0.00 N ATOM 720 CA LEU A 45 -6.857 -30.254 42.462 1.00 0.00 C ATOM 721 C LEU A 45 -7.794 -29.090 42.737 1.00 0.00 C ATOM 722 O LEU A 45 -7.701 -28.053 42.086 1.00 0.00 O ATOM 723 CB LEU A 45 -5.398 -29.769 42.492 1.00 0.00 C ATOM 724 CG LEU A 45 -4.358 -30.747 41.923 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.955 -30.188 42.056 1.00 0.00 C ATOM 726 CD2 LEU A 45 -4.459 -32.095 42.594 1.00 0.00 C ATOM 0 H LEU A 45 -6.646 -30.349 40.391 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.984 -31.026 43.221 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.334 -28.834 41.935 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.131 -29.543 43.524 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.572 -30.878 40.862 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.239 -30.900 41.646 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.885 -29.247 41.510 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.731 -30.014 43.108 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.712 -32.768 42.173 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.284 -31.983 43.664 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.454 -32.509 42.430 1.00 0.00 H new ATOM 738 N LYS A 46 -8.709 -29.262 43.670 1.00 0.00 N ATOM 739 CA LYS A 46 -9.688 -28.223 43.947 1.00 0.00 C ATOM 740 C LYS A 46 -9.143 -27.169 44.901 1.00 0.00 C ATOM 741 O LYS A 46 -9.281 -27.289 46.124 1.00 0.00 O ATOM 742 CB LYS A 46 -10.975 -28.820 44.510 1.00 0.00 C ATOM 743 CG LYS A 46 -12.097 -27.803 44.679 1.00 0.00 C ATOM 744 CD LYS A 46 -13.322 -28.429 45.307 1.00 0.00 C ATOM 745 CE LYS A 46 -13.980 -29.434 44.381 1.00 0.00 C ATOM 746 NZ LYS A 46 -15.154 -30.069 45.012 1.00 0.00 N ATOM 0 H LYS A 46 -8.798 -30.100 44.245 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.910 -27.736 42.998 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.315 -29.617 43.849 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.761 -29.277 45.476 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.750 -26.977 45.300 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.359 -27.384 43.708 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.041 -28.922 46.238 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.038 -27.648 45.563 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.286 -28.936 43.461 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.257 -30.201 44.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.578 -30.750 44.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.857 -30.565 45.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.855 -29.340 45.255 1.00 0.00 H new ATOM 760 N GLY A 47 -8.503 -26.158 44.326 1.00 0.00 N ATOM 761 CA GLY A 47 -8.008 -25.029 45.092 1.00 0.00 C ATOM 762 C GLY A 47 -6.844 -25.357 46.014 1.00 0.00 C ATOM 763 O GLY A 47 -6.689 -26.500 46.451 1.00 0.00 O ATOM 0 H GLY A 47 -8.316 -26.100 43.325 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.699 -24.245 44.401 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.825 -24.624 45.689 1.00 0.00 H new ATOM 767 N ARG A 48 -6.025 -24.335 46.295 1.00 0.00 N ATOM 768 CA ARG A 48 -4.878 -24.416 47.226 1.00 0.00 C ATOM 769 C ARG A 48 -3.783 -25.383 46.751 1.00 0.00 C ATOM 770 O ARG A 48 -2.668 -24.966 46.431 1.00 0.00 O ATOM 771 CB ARG A 48 -5.360 -24.802 48.629 1.00 0.00 C ATOM 772 CG ARG A 48 -6.302 -23.778 49.239 1.00 0.00 C ATOM 773 CD ARG A 48 -6.755 -24.175 50.637 1.00 0.00 C ATOM 774 NE ARG A 48 -7.720 -23.215 51.181 1.00 0.00 N ATOM 775 CZ ARG A 48 -8.047 -23.108 52.474 1.00 0.00 C ATOM 776 NH1 ARG A 48 -7.411 -23.830 53.394 1.00 0.00 N ATOM 777 NH2 ARG A 48 -8.989 -22.242 52.846 1.00 0.00 N ATOM 0 H ARG A 48 -6.138 -23.411 45.878 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.426 -23.425 47.254 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.864 -25.767 48.581 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.496 -24.926 49.282 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.805 -22.809 49.282 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.174 -23.661 48.596 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.205 -25.167 50.607 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.890 -24.237 51.297 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.176 -22.581 50.525 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.668 -24.471 53.115 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.667 -23.742 54.378 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.456 -21.665 52.147 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.243 -22.156 53.830 1.00 0.00 H new ATOM 791 N GLU A 49 -4.128 -26.657 46.680 1.00 0.00 N ATOM 792 CA GLU A 49 -3.209 -27.722 46.304 1.00 0.00 C ATOM 793 C GLU A 49 -2.754 -27.579 44.857 1.00 0.00 C ATOM 794 O GLU A 49 -1.812 -28.229 44.428 1.00 0.00 O ATOM 795 CB GLU A 49 -3.892 -29.067 46.508 1.00 0.00 C ATOM 796 CG GLU A 49 -4.264 -29.342 47.952 1.00 0.00 C ATOM 797 CD GLU A 49 -5.012 -30.637 48.123 1.00 0.00 C ATOM 798 OE1 GLU A 49 -6.010 -30.848 47.397 1.00 0.00 O ATOM 799 OE2 GLU A 49 -4.627 -31.438 48.999 1.00 0.00 O ATOM 0 H GLU A 49 -5.071 -26.988 46.885 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.323 -27.656 46.936 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.793 -29.105 45.895 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.232 -29.859 46.154 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.358 -29.368 48.558 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.875 -28.522 48.328 1.00 0.00 H new ATOM 806 N MET A 50 -3.423 -26.702 44.126 1.00 0.00 N ATOM 807 CA MET A 50 -3.134 -26.462 42.719 1.00 0.00 C ATOM 808 C MET A 50 -1.709 -25.950 42.548 1.00 0.00 C ATOM 809 O MET A 50 -1.085 -26.148 41.505 1.00 0.00 O ATOM 810 CB MET A 50 -4.136 -25.457 42.150 1.00 0.00 C ATOM 811 CG MET A 50 -5.581 -25.871 42.369 1.00 0.00 C ATOM 812 SD MET A 50 -6.769 -24.705 41.694 1.00 0.00 S ATOM 813 CE MET A 50 -6.577 -25.017 39.947 1.00 0.00 C ATOM 0 H MET A 50 -4.186 -26.133 44.493 1.00 0.00 H new ATOM 0 HA MET A 50 -3.226 -27.401 42.173 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.969 -24.484 42.612 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.956 -25.338 41.082 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.744 -26.848 41.914 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.761 -25.983 43.438 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.225 -24.112 39.452 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.852 -25.817 39.798 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.536 -25.313 39.523 1.00 0.00 H new ATOM 823 N ALA A 51 -1.214 -25.266 43.568 1.00 0.00 N ATOM 824 CA ALA A 51 0.136 -24.732 43.566 1.00 0.00 C ATOM 825 C ALA A 51 1.184 -25.850 43.631 1.00 0.00 C ATOM 826 O ALA A 51 2.348 -25.640 43.285 1.00 0.00 O ATOM 827 CB ALA A 51 0.315 -23.768 44.728 1.00 0.00 C ATOM 0 H ALA A 51 -1.738 -25.066 44.420 1.00 0.00 H new ATOM 0 HA ALA A 51 0.285 -24.195 42.629 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.330 -23.372 44.719 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.396 -22.947 44.632 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.139 -24.293 45.667 1.00 0.00 H new ATOM 833 N THR A 52 0.773 -27.034 44.069 1.00 0.00 N ATOM 834 CA THR A 52 1.686 -28.156 44.188 1.00 0.00 C ATOM 835 C THR A 52 1.204 -29.354 43.355 1.00 0.00 C ATOM 836 O THR A 52 0.357 -30.135 43.789 1.00 0.00 O ATOM 837 CB THR A 52 1.867 -28.583 45.659 1.00 0.00 C ATOM 838 OG1 THR A 52 2.178 -27.433 46.464 1.00 0.00 O ATOM 839 CG2 THR A 52 2.986 -29.609 45.788 1.00 0.00 C ATOM 0 H THR A 52 -0.187 -27.238 44.347 1.00 0.00 H new ATOM 0 HA THR A 52 2.650 -27.825 43.803 1.00 0.00 H new ATOM 0 HB THR A 52 0.936 -29.033 46.004 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.290 -27.708 47.398 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.097 -29.897 46.833 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.743 -30.489 45.193 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.920 -29.176 45.430 1.00 0.00 H new ATOM 847 N PRO A 53 1.759 -29.509 42.143 1.00 0.00 N ATOM 848 CA PRO A 53 1.386 -30.586 41.209 1.00 0.00 C ATOM 849 C PRO A 53 1.706 -31.978 41.761 1.00 0.00 C ATOM 850 O PRO A 53 1.111 -32.982 41.347 1.00 0.00 O ATOM 851 CB PRO A 53 2.253 -30.291 39.971 1.00 0.00 C ATOM 852 CG PRO A 53 2.638 -28.861 40.113 1.00 0.00 C ATOM 853 CD PRO A 53 2.801 -28.639 41.575 1.00 0.00 C ATOM 0 HA PRO A 53 0.314 -30.600 41.010 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.131 -30.936 39.939 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.698 -30.462 39.049 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.563 -28.648 39.578 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.872 -28.205 39.699 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.796 -28.918 41.920 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.651 -27.594 41.847 1.00 0.00 H new ATOM 861 N GLU A 54 2.636 -32.019 42.707 1.00 0.00 N ATOM 862 CA GLU A 54 3.090 -33.263 43.314 1.00 0.00 C ATOM 863 C GLU A 54 1.936 -33.999 44.020 1.00 0.00 C ATOM 864 O GLU A 54 1.948 -35.230 44.126 1.00 0.00 O ATOM 865 CB GLU A 54 4.215 -32.974 44.303 1.00 0.00 C ATOM 866 CG GLU A 54 4.884 -34.216 44.865 1.00 0.00 C ATOM 867 CD GLU A 54 5.966 -33.875 45.862 1.00 0.00 C ATOM 868 OE1 GLU A 54 5.645 -33.703 47.059 1.00 0.00 O ATOM 869 OE2 GLU A 54 7.138 -33.782 45.463 1.00 0.00 O ATOM 0 H GLU A 54 3.098 -31.188 43.076 1.00 0.00 H new ATOM 0 HA GLU A 54 3.462 -33.913 42.521 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.969 -32.361 43.809 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.815 -32.385 45.129 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.135 -34.846 45.345 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.313 -34.797 44.049 1.00 0.00 H new ATOM 876 N ALA A 55 0.941 -33.241 44.490 1.00 0.00 N ATOM 877 CA ALA A 55 -0.205 -33.825 45.186 1.00 0.00 C ATOM 878 C ALA A 55 -0.944 -34.805 44.281 1.00 0.00 C ATOM 879 O ALA A 55 -1.316 -35.904 44.706 1.00 0.00 O ATOM 880 CB ALA A 55 -1.149 -32.725 45.664 1.00 0.00 C ATOM 0 H ALA A 55 0.907 -32.225 44.401 1.00 0.00 H new ATOM 0 HA ALA A 55 0.162 -34.373 46.054 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.998 -33.173 46.180 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.618 -32.061 46.346 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.506 -32.154 44.807 1.00 0.00 H new ATOM 886 N GLY A 56 -1.130 -34.409 43.029 1.00 0.00 N ATOM 887 CA GLY A 56 -1.794 -35.267 42.068 1.00 0.00 C ATOM 888 C GLY A 56 -0.970 -36.490 41.747 1.00 0.00 C ATOM 889 O GLY A 56 -1.498 -37.599 41.620 1.00 0.00 O ATOM 0 H GLY A 56 -0.832 -33.506 42.661 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.762 -35.574 42.463 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.986 -34.707 41.153 1.00 0.00 H new ATOM 893 N VAL A 57 0.337 -36.291 41.646 1.00 0.00 N ATOM 894 CA VAL A 57 1.274 -37.364 41.333 1.00 0.00 C ATOM 895 C VAL A 57 1.259 -38.432 42.428 1.00 0.00 C ATOM 896 O VAL A 57 1.238 -39.631 42.140 1.00 0.00 O ATOM 897 CB VAL A 57 2.714 -36.824 41.163 1.00 0.00 C ATOM 898 CG1 VAL A 57 3.682 -37.946 40.818 1.00 0.00 C ATOM 899 CG2 VAL A 57 2.758 -35.739 40.105 1.00 0.00 C ATOM 0 H VAL A 57 0.779 -35.381 41.779 1.00 0.00 H new ATOM 0 HA VAL A 57 0.954 -37.808 40.390 1.00 0.00 H new ATOM 0 HB VAL A 57 3.024 -36.391 42.114 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.686 -37.538 40.704 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.680 -38.687 41.617 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.374 -38.418 39.885 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.780 -35.373 40.001 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.420 -36.146 39.152 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.106 -34.917 40.400 1.00 0.00 H new ATOM 909 N ALA A 58 1.254 -37.986 43.679 1.00 0.00 N ATOM 910 CA ALA A 58 1.246 -38.886 44.832 1.00 0.00 C ATOM 911 C ALA A 58 0.005 -39.774 44.837 1.00 0.00 C ATOM 912 O ALA A 58 0.076 -40.957 45.159 1.00 0.00 O ATOM 913 CB ALA A 58 1.329 -38.086 46.124 1.00 0.00 C ATOM 0 H ALA A 58 1.255 -36.996 43.925 1.00 0.00 H new ATOM 0 HA ALA A 58 2.119 -39.534 44.758 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.322 -38.767 46.975 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.250 -37.504 46.133 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.474 -37.413 46.191 1.00 0.00 H new ATOM 919 N LEU A 59 -1.130 -39.191 44.483 1.00 0.00 N ATOM 920 CA LEU A 59 -2.375 -39.937 44.409 1.00 0.00 C ATOM 921 C LEU A 59 -2.278 -41.023 43.331 1.00 0.00 C ATOM 922 O LEU A 59 -2.646 -42.182 43.557 1.00 0.00 O ATOM 923 CB LEU A 59 -3.527 -38.980 44.072 1.00 0.00 C ATOM 924 CG LEU A 59 -4.917 -39.607 43.955 1.00 0.00 C ATOM 925 CD1 LEU A 59 -5.410 -40.091 45.307 1.00 0.00 C ATOM 926 CD2 LEU A 59 -5.892 -38.612 43.363 1.00 0.00 C ATOM 0 H LEU A 59 -1.214 -38.203 44.243 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.562 -40.411 45.373 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.564 -38.206 44.839 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.295 -38.484 43.130 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.848 -40.469 43.292 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.400 -40.533 45.196 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.721 -40.839 45.699 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.463 -39.249 45.998 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.878 -39.071 43.285 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.950 -37.733 44.006 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.551 -38.314 42.371 1.00 0.00 H new ATOM 938 N LEU A 60 -1.758 -40.636 42.174 1.00 0.00 N ATOM 939 CA LEU A 60 -1.631 -41.532 41.037 1.00 0.00 C ATOM 940 C LEU A 60 -0.644 -42.677 41.279 1.00 0.00 C ATOM 941 O LEU A 60 -0.924 -43.818 40.911 1.00 0.00 O ATOM 942 CB LEU A 60 -1.244 -40.751 39.786 1.00 0.00 C ATOM 943 CG LEU A 60 -2.292 -39.752 39.284 1.00 0.00 C ATOM 944 CD1 LEU A 60 -1.787 -39.033 38.056 1.00 0.00 C ATOM 945 CD2 LEU A 60 -3.608 -40.449 38.989 1.00 0.00 C ATOM 0 H LEU A 60 -1.413 -39.692 41.999 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.609 -41.991 40.892 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.319 -40.211 39.987 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.031 -41.461 38.987 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.467 -39.018 40.070 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.542 -38.327 37.711 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.872 -38.494 38.301 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.582 -39.758 37.268 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.335 -39.719 38.634 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.454 -41.209 38.223 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.982 -40.921 39.898 1.00 0.00 H new ATOM 957 N GLU A 61 0.505 -42.385 41.896 1.00 0.00 N ATOM 958 CA GLU A 61 1.508 -43.429 42.140 1.00 0.00 C ATOM 959 C GLU A 61 0.966 -44.512 43.079 1.00 0.00 C ATOM 960 O GLU A 61 1.319 -45.695 42.951 1.00 0.00 O ATOM 961 CB GLU A 61 2.824 -42.849 42.680 1.00 0.00 C ATOM 962 CG GLU A 61 2.708 -42.193 44.038 1.00 0.00 C ATOM 963 CD GLU A 61 4.029 -41.675 44.547 1.00 0.00 C ATOM 964 OE1 GLU A 61 4.520 -40.664 44.019 1.00 0.00 O ATOM 965 OE2 GLU A 61 4.580 -42.277 45.494 1.00 0.00 O ATOM 0 H GLU A 61 0.762 -41.456 42.230 1.00 0.00 H new ATOM 0 HA GLU A 61 1.726 -43.890 41.177 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.562 -43.649 42.738 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.203 -42.116 41.968 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.997 -41.369 43.980 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.305 -42.912 44.751 1.00 0.00 H new ATOM 972 N LYS A 62 0.107 -44.109 44.017 1.00 0.00 N ATOM 973 CA LYS A 62 -0.527 -45.047 44.933 1.00 0.00 C ATOM 974 C LYS A 62 -1.348 -46.052 44.137 1.00 0.00 C ATOM 975 O LYS A 62 -1.248 -47.263 44.338 1.00 0.00 O ATOM 976 CB LYS A 62 -1.435 -44.287 45.910 1.00 0.00 C ATOM 977 CG LYS A 62 -2.127 -45.161 46.938 1.00 0.00 C ATOM 978 CD LYS A 62 -2.948 -44.320 47.898 1.00 0.00 C ATOM 979 CE LYS A 62 -3.686 -45.185 48.898 1.00 0.00 C ATOM 980 NZ LYS A 62 -2.768 -46.017 49.707 1.00 0.00 N ATOM 0 H LYS A 62 -0.163 -43.136 44.159 1.00 0.00 H new ATOM 0 HA LYS A 62 0.239 -45.575 45.501 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.839 -43.538 46.431 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.193 -43.751 45.339 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.773 -45.880 46.434 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.384 -45.734 47.493 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.294 -43.627 48.427 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.663 -43.719 47.337 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.275 -44.550 49.559 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.387 -45.831 48.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.289 -46.434 50.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.375 -46.777 49.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.993 -45.426 50.071 1.00 0.00 H new ATOM 994 N ILE A 63 -2.136 -45.532 43.222 1.00 0.00 N ATOM 995 CA ILE A 63 -2.957 -46.338 42.350 1.00 0.00 C ATOM 996 C ILE A 63 -2.109 -47.181 41.400 1.00 0.00 C ATOM 997 O ILE A 63 -2.397 -48.358 41.180 1.00 0.00 O ATOM 998 CB ILE A 63 -3.952 -45.469 41.566 1.00 0.00 C ATOM 999 CG1 ILE A 63 -4.974 -44.882 42.533 1.00 0.00 C ATOM 1000 CG2 ILE A 63 -4.639 -46.275 40.471 1.00 0.00 C ATOM 1001 CD1 ILE A 63 -5.913 -43.899 41.903 1.00 0.00 C ATOM 0 H ILE A 63 -2.225 -44.529 43.062 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.526 -47.021 42.981 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.411 -44.658 41.079 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.554 -45.695 42.970 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.446 -44.392 43.351 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.338 -45.635 39.932 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.890 -46.659 39.778 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.181 -47.108 40.918 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.609 -43.527 42.655 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.344 -43.065 41.491 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.470 -44.389 41.104 1.00 0.00 H new ATOM 1013 N TRP A 64 -1.063 -46.578 40.846 1.00 0.00 N ATOM 1014 CA TRP A 64 -0.170 -47.272 39.925 1.00 0.00 C ATOM 1015 C TRP A 64 0.384 -48.549 40.556 1.00 0.00 C ATOM 1016 O TRP A 64 0.463 -49.587 39.904 1.00 0.00 O ATOM 1017 CB TRP A 64 0.979 -46.352 39.474 1.00 0.00 C ATOM 1018 CG TRP A 64 2.062 -47.077 38.722 1.00 0.00 C ATOM 1019 CD1 TRP A 64 3.391 -47.120 39.030 1.00 0.00 C ATOM 1020 CD2 TRP A 64 1.900 -47.892 37.558 1.00 0.00 C ATOM 1021 NE1 TRP A 64 4.055 -47.892 38.112 1.00 0.00 N ATOM 1022 CE2 TRP A 64 3.167 -48.380 37.213 1.00 0.00 C ATOM 1023 CE3 TRP A 64 0.809 -48.249 36.771 1.00 0.00 C ATOM 1024 CZ2 TRP A 64 3.370 -49.211 36.134 1.00 0.00 C ATOM 1025 CZ3 TRP A 64 1.018 -49.073 35.698 1.00 0.00 C ATOM 1026 CH2 TRP A 64 2.290 -49.543 35.391 1.00 0.00 C ATOM 0 H TRP A 64 -0.812 -45.605 41.020 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.751 -47.550 39.046 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.575 -45.561 38.842 1.00 0.00 H new ATOM 0 HB3 TRP A 64 1.414 -45.870 40.349 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.850 -46.621 39.870 1.00 0.00 H new ATOM 0 HE1 TRP A 64 5.059 -48.071 38.107 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.181 -47.884 37.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.354 -49.583 35.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.181 -49.363 35.080 1.00 0.00 H new ATOM 0 HH2 TRP A 64 2.419 -50.191 34.536 1.00 0.00 H new ATOM 1037 N THR A 65 0.724 -48.473 41.824 1.00 0.00 N ATOM 1038 CA THR A 65 1.264 -49.617 42.539 1.00 0.00 C ATOM 1039 C THR A 65 0.225 -50.766 42.616 1.00 0.00 C ATOM 1040 O THR A 65 0.580 -51.937 42.780 1.00 0.00 O ATOM 1041 CB THR A 65 1.710 -49.203 43.962 1.00 0.00 C ATOM 1042 OG1 THR A 65 2.556 -48.040 43.876 1.00 0.00 O ATOM 1043 CG2 THR A 65 2.476 -50.324 44.643 1.00 0.00 C ATOM 0 H THR A 65 0.637 -47.627 42.387 1.00 0.00 H new ATOM 0 HA THR A 65 2.133 -49.979 41.989 1.00 0.00 H new ATOM 0 HB THR A 65 0.819 -48.983 44.551 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.008 -47.251 43.683 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.777 -50.005 45.641 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.839 -51.205 44.720 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.362 -50.567 44.057 1.00 0.00 H new ATOM 1051 N MET A 66 -1.049 -50.418 42.492 1.00 0.00 N ATOM 1052 CA MET A 66 -2.134 -51.390 42.565 1.00 0.00 C ATOM 1053 C MET A 66 -2.486 -51.978 41.180 1.00 0.00 C ATOM 1054 O MET A 66 -2.806 -53.159 41.068 1.00 0.00 O ATOM 1055 CB MET A 66 -3.372 -50.733 43.173 1.00 0.00 C ATOM 1056 CG MET A 66 -3.216 -50.352 44.636 1.00 0.00 C ATOM 1057 SD MET A 66 -4.641 -49.455 45.289 1.00 0.00 S ATOM 1058 CE MET A 66 -5.912 -50.717 45.191 1.00 0.00 C ATOM 0 H MET A 66 -1.359 -49.459 42.339 1.00 0.00 H new ATOM 0 HA MET A 66 -1.796 -52.213 43.195 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.614 -49.838 42.599 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.217 -51.414 43.074 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.061 -51.255 45.226 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.323 -49.738 44.752 1.00 0.00 H new ATOM 0 HE1 MET A 66 -6.770 -50.417 45.793 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.222 -50.841 44.153 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.517 -51.661 45.567 1.00 0.00 H new ATOM 1068 N ILE A 67 -2.396 -51.151 40.135 1.00 0.00 N ATOM 1069 CA ILE A 67 -2.799 -51.571 38.778 1.00 0.00 C ATOM 1070 C ILE A 67 -1.645 -52.144 37.958 1.00 0.00 C ATOM 1071 O ILE A 67 -1.861 -52.656 36.859 1.00 0.00 O ATOM 1072 CB ILE A 67 -3.422 -50.400 37.981 1.00 0.00 C ATOM 1073 CG1 ILE A 67 -2.425 -49.249 37.866 1.00 0.00 C ATOM 1074 CG2 ILE A 67 -4.701 -49.934 38.625 1.00 0.00 C ATOM 1075 CD1 ILE A 67 -2.902 -48.107 37.011 1.00 0.00 C ATOM 0 H ILE A 67 -2.051 -50.193 40.195 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.538 -52.357 38.935 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.660 -50.754 36.978 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.203 -48.873 38.865 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.491 -49.631 37.455 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.120 -49.110 38.047 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.415 -50.757 38.654 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.495 -49.596 39.641 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.137 -47.331 36.980 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.096 -48.466 36.000 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.819 -47.696 37.432 1.00 0.00 H new ATOM 1087 N GLU A 68 -0.432 -52.078 38.490 1.00 0.00 N ATOM 1088 CA GLU A 68 0.741 -52.561 37.761 1.00 0.00 C ATOM 1089 C GLU A 68 0.704 -54.081 37.544 1.00 0.00 C ATOM 1090 O GLU A 68 1.582 -54.642 36.886 1.00 0.00 O ATOM 1091 CB GLU A 68 2.047 -52.110 38.435 1.00 0.00 C ATOM 1092 CG GLU A 68 2.170 -52.432 39.921 1.00 0.00 C ATOM 1093 CD GLU A 68 2.404 -53.901 40.207 1.00 0.00 C ATOM 1094 OE1 GLU A 68 3.532 -54.384 39.987 1.00 0.00 O ATOM 1095 OE2 GLU A 68 1.471 -54.572 40.653 1.00 0.00 O ATOM 0 H GLU A 68 -0.231 -51.699 39.415 1.00 0.00 H new ATOM 0 HA GLU A 68 0.711 -52.105 36.771 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.883 -52.573 37.911 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.148 -51.032 38.306 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.992 -51.853 40.343 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.261 -52.112 40.430 1.00 0.00 H new ATOM 1102 N ASN A 69 -0.304 -54.727 38.110 1.00 0.00 N ATOM 1103 CA ASN A 69 -0.497 -56.158 37.943 1.00 0.00 C ATOM 1104 C ASN A 69 -0.764 -56.508 36.491 1.00 0.00 C ATOM 1105 O ASN A 69 -0.160 -57.429 35.944 1.00 0.00 O ATOM 1106 CB ASN A 69 -1.688 -56.633 38.778 1.00 0.00 C ATOM 1107 CG ASN A 69 -1.372 -56.804 40.244 1.00 0.00 C ATOM 1108 OD1 ASN A 69 -0.241 -57.119 40.622 1.00 0.00 O ATOM 1109 ND2 ASN A 69 -2.369 -56.605 41.083 1.00 0.00 N ATOM 0 H ASN A 69 -1.008 -54.276 38.695 1.00 0.00 H new ATOM 0 HA ASN A 69 0.417 -56.651 38.273 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.503 -55.917 38.672 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.044 -57.583 38.379 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.220 -56.711 42.087 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.290 -56.345 40.729 1.00 0.00 H new ATOM 1116 N GLU A 70 -1.648 -55.746 35.857 1.00 0.00 N ATOM 1117 CA GLU A 70 -2.070 -56.042 34.487 1.00 0.00 C ATOM 1118 C GLU A 70 -1.766 -54.866 33.563 1.00 0.00 C ATOM 1119 O GLU A 70 -1.976 -54.948 32.355 1.00 0.00 O ATOM 1120 CB GLU A 70 -3.586 -56.325 34.452 1.00 0.00 C ATOM 1121 CG GLU A 70 -4.080 -57.312 35.513 1.00 0.00 C ATOM 1122 CD GLU A 70 -3.650 -58.739 35.263 1.00 0.00 C ATOM 1123 OE1 GLU A 70 -2.572 -59.131 35.735 1.00 0.00 O ATOM 1124 OE2 GLU A 70 -4.396 -59.478 34.593 1.00 0.00 O ATOM 0 H GLU A 70 -2.087 -54.921 36.265 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.520 -56.919 34.145 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.120 -55.383 34.576 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.846 -56.712 33.467 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.712 -56.997 36.489 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.168 -57.272 35.555 1.00 0.00 H new ATOM 1131 N ALA A 71 -1.266 -53.788 34.129 1.00 0.00 N ATOM 1132 CA ALA A 71 -1.020 -52.588 33.362 1.00 0.00 C ATOM 1133 C ALA A 71 0.448 -52.208 33.370 1.00 0.00 C ATOM 1134 O ALA A 71 1.158 -52.428 34.352 1.00 0.00 O ATOM 1135 CB ALA A 71 -1.861 -51.439 33.906 1.00 0.00 C ATOM 0 H ALA A 71 -1.022 -53.719 35.117 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.305 -52.789 32.329 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.669 -50.539 33.322 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.918 -51.697 33.838 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.599 -51.258 34.948 1.00 0.00 H new ATOM 1141 N ASN A 72 0.894 -51.660 32.257 1.00 0.00 N ATOM 1142 CA ASN A 72 2.239 -51.158 32.116 1.00 0.00 C ATOM 1143 C ASN A 72 2.180 -49.644 31.904 1.00 0.00 C ATOM 1144 O ASN A 72 1.344 -49.147 31.132 1.00 0.00 O ATOM 1145 CB ASN A 72 2.992 -51.865 30.954 1.00 0.00 C ATOM 1146 CG ASN A 72 2.335 -51.713 29.586 1.00 0.00 C ATOM 1147 OD1 ASN A 72 2.534 -50.719 28.886 1.00 0.00 O ATOM 1148 ND2 ASN A 72 1.577 -52.721 29.182 1.00 0.00 N ATOM 0 H ASN A 72 0.324 -51.551 31.418 1.00 0.00 H new ATOM 0 HA ASN A 72 2.800 -51.374 33.025 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.006 -51.469 30.901 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.076 -52.927 31.186 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.135 -52.690 28.263 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.435 -53.528 29.790 1.00 0.00 H new ATOM 1155 N ARG A 73 3.022 -48.904 32.621 1.00 0.00 N ATOM 1156 CA ARG A 73 3.025 -47.471 32.544 1.00 0.00 C ATOM 1157 C ARG A 73 3.527 -46.974 31.197 1.00 0.00 C ATOM 1158 O ARG A 73 4.701 -47.152 30.850 1.00 0.00 O ATOM 1159 CB ARG A 73 3.850 -46.868 33.683 1.00 0.00 C ATOM 1160 CG ARG A 73 4.072 -45.382 33.533 1.00 0.00 C ATOM 1161 CD ARG A 73 4.832 -44.772 34.702 1.00 0.00 C ATOM 1162 NE ARG A 73 4.019 -44.680 35.921 1.00 0.00 N ATOM 1163 CZ ARG A 73 4.467 -44.177 37.083 1.00 0.00 C ATOM 1164 NH1 ARG A 73 5.739 -43.813 37.208 1.00 0.00 N ATOM 1165 NH2 ARG A 73 3.636 -44.044 38.115 1.00 0.00 N ATOM 0 H ARG A 73 3.712 -49.291 33.264 1.00 0.00 H new ATOM 0 HA ARG A 73 1.992 -47.140 32.648 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.345 -47.060 34.630 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.816 -47.371 33.729 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.623 -45.194 32.611 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.107 -44.884 33.435 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.719 -45.372 34.906 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.178 -43.776 34.425 1.00 0.00 H new ATOM 0 HE ARG A 73 3.057 -45.018 35.883 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.379 -43.915 36.420 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.076 -43.431 38.092 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.660 -44.324 38.023 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.976 -43.662 38.998 1.00 0.00 H new ATOM 1179 N ASP A 74 2.634 -46.363 30.444 1.00 0.00 N ATOM 1180 CA ASP A 74 2.982 -45.800 29.156 1.00 0.00 C ATOM 1181 C ASP A 74 3.483 -44.383 29.334 1.00 0.00 C ATOM 1182 O ASP A 74 4.464 -43.964 28.710 1.00 0.00 O ATOM 1183 CB ASP A 74 1.773 -45.802 28.217 1.00 0.00 C ATOM 1184 CG ASP A 74 2.088 -45.196 26.862 1.00 0.00 C ATOM 1185 OD1 ASP A 74 2.665 -45.903 26.015 1.00 0.00 O ATOM 1186 OD2 ASP A 74 1.753 -44.021 26.634 1.00 0.00 O ATOM 0 H ASP A 74 1.655 -46.244 30.705 1.00 0.00 H new ATOM 0 HA ASP A 74 3.767 -46.413 28.714 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.424 -46.826 28.081 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.957 -45.246 28.679 1.00 0.00 H new ATOM 1191 N LYS A 75 2.825 -43.650 30.209 1.00 0.00 N ATOM 1192 CA LYS A 75 3.168 -42.268 30.445 1.00 0.00 C ATOM 1193 C LYS A 75 3.223 -41.972 31.940 1.00 0.00 C ATOM 1194 O LYS A 75 2.366 -42.425 32.703 1.00 0.00 O ATOM 1195 CB LYS A 75 2.147 -41.349 29.765 1.00 0.00 C ATOM 1196 CG LYS A 75 2.403 -39.869 29.970 1.00 0.00 C ATOM 1197 CD LYS A 75 3.704 -39.435 29.322 1.00 0.00 C ATOM 1198 CE LYS A 75 3.967 -37.965 29.574 1.00 0.00 C ATOM 1199 NZ LYS A 75 5.233 -37.511 28.953 1.00 0.00 N ATOM 0 H LYS A 75 2.046 -43.994 30.770 1.00 0.00 H new ATOM 0 HA LYS A 75 4.155 -42.082 30.021 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.142 -41.560 28.696 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.153 -41.589 30.142 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.577 -39.294 29.551 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.435 -39.649 31.037 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.528 -40.029 29.717 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.661 -39.623 28.249 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.139 -37.376 29.180 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.005 -37.783 30.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.373 -36.500 29.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.027 -38.054 29.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.188 -37.660 27.925 1.00 0.00 H new ATOM 1213 N GLU A 76 4.247 -41.240 32.343 1.00 0.00 N ATOM 1214 CA GLU A 76 4.418 -40.841 33.728 1.00 0.00 C ATOM 1215 C GLU A 76 3.425 -39.738 34.054 1.00 0.00 C ATOM 1216 O GLU A 76 2.976 -39.028 33.151 1.00 0.00 O ATOM 1217 CB GLU A 76 5.852 -40.333 33.976 1.00 0.00 C ATOM 1218 CG GLU A 76 6.951 -41.388 33.821 1.00 0.00 C ATOM 1219 CD GLU A 76 7.049 -41.959 32.419 1.00 0.00 C ATOM 1220 OE1 GLU A 76 7.362 -41.197 31.482 1.00 0.00 O ATOM 1221 OE2 GLU A 76 6.819 -43.170 32.243 1.00 0.00 O ATOM 0 H GLU A 76 4.982 -40.906 31.720 1.00 0.00 H new ATOM 0 HA GLU A 76 4.242 -41.705 34.369 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.055 -39.515 33.285 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.905 -39.920 34.983 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.909 -40.945 34.092 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.765 -42.201 34.523 1.00 0.00 H new ATOM 1228 N PRO A 77 3.053 -39.571 35.336 1.00 0.00 N ATOM 1229 CA PRO A 77 2.108 -38.536 35.727 1.00 0.00 C ATOM 1230 C PRO A 77 2.635 -37.152 35.391 1.00 0.00 C ATOM 1231 O PRO A 77 3.818 -36.863 35.575 1.00 0.00 O ATOM 1232 CB PRO A 77 1.980 -38.690 37.243 1.00 0.00 C ATOM 1233 CG PRO A 77 2.519 -40.050 37.553 1.00 0.00 C ATOM 1234 CD PRO A 77 3.518 -40.367 36.478 1.00 0.00 C ATOM 0 HA PRO A 77 1.157 -38.640 35.205 1.00 0.00 H new ATOM 0 HB2 PRO A 77 2.543 -37.916 37.765 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.941 -38.598 37.561 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.989 -40.066 38.536 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.719 -40.790 37.570 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.530 -40.090 36.775 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.534 -41.432 36.246 1.00 0.00 H new ATOM 1242 N ASN A 78 1.759 -36.310 34.915 1.00 0.00 N ATOM 1243 CA ASN A 78 2.134 -34.973 34.517 1.00 0.00 C ATOM 1244 C ASN A 78 1.012 -33.991 34.802 1.00 0.00 C ATOM 1245 O ASN A 78 -0.169 -34.317 34.641 1.00 0.00 O ATOM 1246 CB ASN A 78 2.478 -34.950 33.027 1.00 0.00 C ATOM 1247 CG ASN A 78 2.972 -33.594 32.555 1.00 0.00 C ATOM 1248 OD1 ASN A 78 3.621 -32.858 33.303 1.00 0.00 O ATOM 1249 ND2 ASN A 78 2.669 -33.257 31.320 1.00 0.00 N ATOM 0 H ASN A 78 0.770 -36.526 34.791 1.00 0.00 H new ATOM 0 HA ASN A 78 3.009 -34.675 35.095 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.242 -35.700 32.824 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.596 -35.230 32.451 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.973 -32.357 30.948 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.130 -33.895 30.735 1.00 0.00 H new ATOM 1256 N PHE A 79 1.380 -32.802 35.243 1.00 0.00 N ATOM 1257 CA PHE A 79 0.421 -31.754 35.519 1.00 0.00 C ATOM 1258 C PHE A 79 0.252 -30.889 34.282 1.00 0.00 C ATOM 1259 O PHE A 79 1.180 -30.191 33.864 1.00 0.00 O ATOM 1260 CB PHE A 79 0.885 -30.908 36.711 1.00 0.00 C ATOM 1261 CG PHE A 79 -0.023 -29.747 37.058 1.00 0.00 C ATOM 1262 CD1 PHE A 79 -1.189 -29.953 37.774 1.00 0.00 C ATOM 1263 CD2 PHE A 79 0.303 -28.450 36.677 1.00 0.00 C ATOM 1264 CE1 PHE A 79 -2.014 -28.896 38.109 1.00 0.00 C ATOM 1265 CE2 PHE A 79 -0.520 -27.389 37.007 1.00 0.00 C ATOM 1266 CZ PHE A 79 -1.680 -27.615 37.723 1.00 0.00 C ATOM 0 H PHE A 79 2.350 -32.538 35.419 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.540 -32.201 35.775 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.975 -31.554 37.584 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.881 -30.521 36.498 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.458 -30.954 38.075 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.209 -28.269 36.117 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.919 -29.073 38.672 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.257 -26.386 36.706 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.325 -26.788 37.980 1.00 0.00 H new ATOM 1276 N GLU A 80 -0.924 -30.953 33.691 1.00 0.00 N ATOM 1277 CA GLU A 80 -1.211 -30.205 32.494 1.00 0.00 C ATOM 1278 C GLU A 80 -2.702 -29.923 32.384 1.00 0.00 C ATOM 1279 O GLU A 80 -3.520 -30.848 32.415 1.00 0.00 O ATOM 1280 CB GLU A 80 -0.724 -30.968 31.265 1.00 0.00 C ATOM 1281 CG GLU A 80 -0.902 -30.213 29.964 1.00 0.00 C ATOM 1282 CD GLU A 80 -0.374 -30.979 28.779 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -1.070 -31.892 28.299 1.00 0.00 O ATOM 1284 OE2 GLU A 80 0.750 -30.683 28.323 1.00 0.00 O ATOM 0 H GLU A 80 -1.700 -31.523 34.028 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.684 -29.253 32.547 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.332 -31.208 31.393 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.261 -31.915 31.201 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.960 -29.999 29.813 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.389 -29.253 30.031 1.00 0.00 H new ATOM 1291 N GLY A 81 -3.050 -28.656 32.256 1.00 0.00 N ATOM 1292 CA GLY A 81 -4.443 -28.278 32.151 1.00 0.00 C ATOM 1293 C GLY A 81 -5.144 -28.346 33.494 1.00 0.00 C ATOM 1294 O GLY A 81 -6.336 -28.642 33.565 1.00 0.00 O ATOM 0 H GLY A 81 -2.391 -27.878 32.223 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.517 -27.266 31.753 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.947 -28.937 31.444 1.00 0.00 H new ATOM 1298 N ARG A 82 -4.379 -28.079 34.557 1.00 0.00 N ATOM 1299 CA ARG A 82 -4.865 -28.121 35.939 1.00 0.00 C ATOM 1300 C ARG A 82 -5.243 -29.535 36.385 1.00 0.00 C ATOM 1301 O ARG A 82 -5.884 -29.727 37.417 1.00 0.00 O ATOM 1302 CB ARG A 82 -6.005 -27.122 36.164 1.00 0.00 C ATOM 1303 CG ARG A 82 -5.534 -25.674 36.192 1.00 0.00 C ATOM 1304 CD ARG A 82 -6.688 -24.693 36.348 1.00 0.00 C ATOM 1305 NE ARG A 82 -6.210 -23.314 36.531 1.00 0.00 N ATOM 1306 CZ ARG A 82 -6.712 -22.236 35.909 1.00 0.00 C ATOM 1307 NH1 ARG A 82 -7.678 -22.373 34.996 1.00 0.00 N ATOM 1308 NH2 ARG A 82 -6.239 -21.026 36.196 1.00 0.00 N ATOM 0 H ARG A 82 -3.394 -27.825 34.481 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.034 -27.814 36.575 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.746 -27.241 35.374 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.503 -27.354 37.105 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.832 -25.539 37.014 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.994 -25.452 35.272 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.329 -24.742 35.468 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.299 -24.983 37.203 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.438 -23.166 37.181 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.037 -23.300 34.769 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.056 -21.550 34.526 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.497 -20.919 36.887 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.619 -20.205 35.725 1.00 0.00 H new ATOM 1322 N TYR A 83 -4.806 -30.510 35.613 1.00 0.00 N ATOM 1323 CA TYR A 83 -5.008 -31.906 35.932 1.00 0.00 C ATOM 1324 C TYR A 83 -3.695 -32.635 35.941 1.00 0.00 C ATOM 1325 O TYR A 83 -2.807 -32.350 35.137 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.923 -32.597 34.916 1.00 0.00 C ATOM 1327 CG TYR A 83 -7.406 -32.378 35.106 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -8.030 -31.219 34.682 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -8.184 -33.363 35.701 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -9.391 -31.044 34.847 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -9.538 -33.196 35.871 1.00 0.00 C ATOM 1332 CZ TYR A 83 -10.141 -32.037 35.445 1.00 0.00 C ATOM 1333 OH TYR A 83 -11.499 -31.869 35.610 1.00 0.00 O ATOM 0 H TYR A 83 -4.298 -30.353 34.742 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.475 -31.938 36.916 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.650 -32.254 33.918 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.727 -33.669 34.949 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.446 -30.440 34.215 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.717 -34.277 36.036 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.866 -30.134 34.510 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.126 -33.973 36.338 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.977 -32.353 34.904 1.00 0.00 H new ATOM 1343 N VAL A 84 -3.569 -33.569 36.843 1.00 0.00 N ATOM 1344 CA VAL A 84 -2.430 -34.452 36.851 1.00 0.00 C ATOM 1345 C VAL A 84 -2.919 -35.768 36.290 1.00 0.00 C ATOM 1346 O VAL A 84 -3.905 -36.320 36.780 1.00 0.00 O ATOM 1347 CB VAL A 84 -1.857 -34.663 38.285 1.00 0.00 C ATOM 1348 CG1 VAL A 84 -0.750 -35.697 38.291 1.00 0.00 C ATOM 1349 CG2 VAL A 84 -1.342 -33.363 38.860 1.00 0.00 C ATOM 0 H VAL A 84 -4.245 -33.741 37.588 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.619 -34.025 36.261 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.675 -35.026 38.908 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.373 -35.820 39.306 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.140 -36.649 37.931 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.060 -35.367 37.640 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.948 -33.539 39.861 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.550 -32.971 38.222 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.156 -32.640 38.912 1.00 0.00 H new ATOM 1359 N ASN A 85 -2.284 -36.253 35.251 1.00 0.00 N ATOM 1360 CA ASN A 85 -2.786 -37.442 34.584 1.00 0.00 C ATOM 1361 C ASN A 85 -1.700 -38.474 34.346 1.00 0.00 C ATOM 1362 O ASN A 85 -0.516 -38.153 34.319 1.00 0.00 O ATOM 1363 CB ASN A 85 -3.465 -37.062 33.259 1.00 0.00 C ATOM 1364 CG ASN A 85 -2.475 -36.711 32.164 1.00 0.00 C ATOM 1365 OD1 ASN A 85 -2.120 -37.556 31.345 1.00 0.00 O ATOM 1366 ND2 ASN A 85 -2.032 -35.468 32.137 1.00 0.00 N ATOM 0 H ASN A 85 -1.434 -35.856 34.850 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.520 -37.899 35.248 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.088 -37.892 32.925 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.128 -36.213 33.427 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.370 -35.178 31.417 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.352 -34.797 32.836 1.00 0.00 H new ATOM 1373 N MET A 86 -2.130 -39.720 34.198 1.00 0.00 N ATOM 1374 CA MET A 86 -1.247 -40.843 33.936 1.00 0.00 C ATOM 1375 C MET A 86 -1.926 -41.812 32.967 1.00 0.00 C ATOM 1376 O MET A 86 -3.114 -42.108 33.112 1.00 0.00 O ATOM 1377 CB MET A 86 -0.916 -41.575 35.247 1.00 0.00 C ATOM 1378 CG MET A 86 0.036 -42.757 35.084 1.00 0.00 C ATOM 1379 SD MET A 86 0.391 -43.593 36.654 1.00 0.00 S ATOM 1380 CE MET A 86 -1.264 -44.087 37.159 1.00 0.00 C ATOM 0 H MET A 86 -3.115 -39.980 34.258 1.00 0.00 H new ATOM 0 HA MET A 86 -0.322 -40.471 33.495 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.476 -40.863 35.946 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.844 -41.930 35.695 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.397 -43.473 34.386 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.970 -42.408 34.644 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.226 -45.080 37.607 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.650 -43.374 37.888 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.919 -44.107 36.288 1.00 0.00 H new ATOM 1390 N LEU A 87 -1.183 -42.282 31.982 1.00 0.00 N ATOM 1391 CA LEU A 87 -1.703 -43.245 31.018 1.00 0.00 C ATOM 1392 C LEU A 87 -1.103 -44.617 31.237 1.00 0.00 C ATOM 1393 O LEU A 87 0.123 -44.766 31.357 1.00 0.00 O ATOM 1394 CB LEU A 87 -1.438 -42.788 29.585 1.00 0.00 C ATOM 1395 CG LEU A 87 -2.493 -41.882 28.954 1.00 0.00 C ATOM 1396 CD1 LEU A 87 -1.925 -41.204 27.719 1.00 0.00 C ATOM 1397 CD2 LEU A 87 -3.718 -42.707 28.577 1.00 0.00 C ATOM 0 H LEU A 87 -0.212 -42.013 31.825 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.780 -43.307 31.172 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.482 -42.264 29.565 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.330 -43.674 28.959 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.783 -41.117 29.674 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.684 -40.560 27.276 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.059 -40.604 27.999 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.623 -41.961 26.995 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.469 -42.058 28.127 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.431 -43.479 27.863 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.131 -43.175 29.471 1.00 0.00 H new ATOM 1409 N VAL A 88 -1.960 -45.616 31.285 1.00 0.00 N ATOM 1410 CA VAL A 88 -1.528 -46.979 31.477 1.00 0.00 C ATOM 1411 C VAL A 88 -2.045 -47.872 30.358 1.00 0.00 C ATOM 1412 O VAL A 88 -3.185 -47.731 29.904 1.00 0.00 O ATOM 1413 CB VAL A 88 -1.965 -47.548 32.851 1.00 0.00 C ATOM 1414 CG1 VAL A 88 -1.324 -46.761 33.983 1.00 0.00 C ATOM 1415 CG2 VAL A 88 -3.485 -47.554 32.993 1.00 0.00 C ATOM 0 H VAL A 88 -2.970 -45.504 31.192 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.438 -46.968 31.455 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.622 -48.581 32.908 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.642 -47.175 34.940 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.239 -46.826 33.903 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.630 -45.717 33.919 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.758 -47.959 33.968 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.863 -46.535 32.905 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.921 -48.172 32.208 1.00 0.00 H new ATOM 1425 N THR A 89 -1.199 -48.758 29.898 1.00 0.00 N ATOM 1426 CA THR A 89 -1.558 -49.681 28.851 1.00 0.00 C ATOM 1427 C THR A 89 -1.672 -51.082 29.428 1.00 0.00 C ATOM 1428 O THR A 89 -0.834 -51.494 30.215 1.00 0.00 O ATOM 1429 CB THR A 89 -0.486 -49.687 27.761 1.00 0.00 C ATOM 1430 OG1 THR A 89 -0.145 -48.339 27.411 1.00 0.00 O ATOM 1431 CG2 THR A 89 -0.964 -50.423 26.527 1.00 0.00 C ATOM 0 H THR A 89 -0.243 -48.860 30.238 1.00 0.00 H new ATOM 0 HA THR A 89 -2.511 -49.370 28.423 1.00 0.00 H new ATOM 0 HB THR A 89 0.391 -50.203 28.151 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.619 -48.344 26.797 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.180 -50.410 25.769 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.200 -51.455 26.787 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.856 -49.934 26.135 1.00 0.00 H new ATOM 1439 N PRO A 90 -2.707 -51.819 29.074 1.00 0.00 N ATOM 1440 CA PRO A 90 -2.902 -53.180 29.565 1.00 0.00 C ATOM 1441 C PRO A 90 -1.914 -54.145 28.909 1.00 0.00 C ATOM 1442 O PRO A 90 -1.593 -54.011 27.728 1.00 0.00 O ATOM 1443 CB PRO A 90 -4.331 -53.483 29.123 1.00 0.00 C ATOM 1444 CG PRO A 90 -4.472 -52.695 27.874 1.00 0.00 C ATOM 1445 CD PRO A 90 -3.769 -51.411 28.150 1.00 0.00 C ATOM 0 HA PRO A 90 -2.743 -53.284 30.638 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.481 -54.548 28.947 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.059 -53.179 29.876 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.026 -53.215 27.026 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.521 -52.527 27.629 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.366 -50.966 27.240 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.434 -50.673 28.598 1.00 0.00 H new ATOM 1453 N LYS A 91 -1.445 -55.120 29.664 1.00 0.00 N ATOM 1454 CA LYS A 91 -0.503 -56.100 29.140 1.00 0.00 C ATOM 1455 C LYS A 91 -1.241 -57.205 28.400 1.00 0.00 C ATOM 1456 O LYS A 91 -0.660 -58.216 28.018 1.00 0.00 O ATOM 1457 CB LYS A 91 0.321 -56.701 30.264 1.00 0.00 C ATOM 1458 CG LYS A 91 1.188 -55.696 31.000 1.00 0.00 C ATOM 1459 CD LYS A 91 2.038 -56.374 32.054 1.00 0.00 C ATOM 1460 CE LYS A 91 1.195 -56.980 33.146 1.00 0.00 C ATOM 1461 NZ LYS A 91 2.030 -57.659 34.160 1.00 0.00 N ATOM 0 H LYS A 91 -1.699 -55.258 30.642 1.00 0.00 H new ATOM 0 HA LYS A 91 0.164 -55.590 28.445 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.351 -57.178 30.978 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.959 -57.484 29.854 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.831 -55.177 30.289 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.556 -54.941 31.469 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.644 -57.151 31.588 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.728 -55.649 32.487 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.602 -56.201 33.624 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.494 -57.694 32.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.500 -57.734 35.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.279 -58.611 33.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.899 -57.110 34.319 1.00 0.00 H new