USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 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 22 THR OG1 : rot -34:sc= 0.0105 USER MOD Set 1.2: A 64 GLN :FLIP amide:sc= 0.00952 F(o=-0.77,f=0.02) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0518 USER MOD Single : A 3 SER OG : rot -57:sc= 0.0464 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 21:sc= 0.527 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -43:sc= 0.996 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.891) USER MOD Single : A 27 TYR OH : rot 140:sc= -1.75 USER MOD Single : A 28 HIS :FLIP no HE2:sc= -5.28! C(o=-6.8!,f=-5.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 88:sc= 1.65 USER MOD Single : A 41 GLN :FLIP amide:sc= -3.69! C(o=-6.2!,f=-3.7!) USER MOD Single : A 46 HIS : no HD1:sc= -10.2! C(o=-10!,f=-9.8!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -1.19 K(o=-1.2,f=-5!) USER MOD Single : A 62 GLN : amide:sc= -4.39 K(o=-4.4,f=-8.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.362 K(o=-0.36,f=-2.1!) USER MOD Single : A 74 THR OG1 : rot -168:sc= 0.861 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 27:sc= 0.591 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.923 -36.460 4.322 1.00 0.00 N ATOM 2 CA GLY A 1 2.500 -35.109 4.006 1.00 0.00 C ATOM 3 C GLY A 1 2.439 -34.218 5.231 1.00 0.00 C ATOM 4 O GLY A 1 3.470 -33.887 5.817 1.00 0.00 O ATOM 0 H1 GLY A 1 2.948 -37.028 3.451 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.872 -36.436 4.748 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.253 -36.885 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.189 -34.677 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.518 -35.140 3.534 1.00 0.00 H new ATOM 8 N SER A 2 1.229 -33.828 5.618 1.00 0.00 N ATOM 9 CA SER A 2 1.039 -32.965 6.779 1.00 0.00 C ATOM 10 C SER A 2 0.765 -33.792 8.031 1.00 0.00 C ATOM 11 O SER A 2 1.410 -33.609 9.063 1.00 0.00 O ATOM 12 CB SER A 2 -0.115 -31.992 6.533 1.00 0.00 C ATOM 13 OG SER A 2 -1.305 -32.685 6.203 1.00 0.00 O ATOM 0 H SER A 2 0.366 -34.095 5.145 1.00 0.00 H new ATOM 0 HA SER A 2 1.956 -32.397 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.279 -31.385 7.423 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.147 -31.309 5.725 1.00 0.00 H new ATOM 0 HG SER A 2 -2.028 -32.041 6.052 1.00 0.00 H new ATOM 19 N SER A 3 -0.199 -34.703 7.931 1.00 0.00 N ATOM 20 CA SER A 3 -0.563 -35.556 9.056 1.00 0.00 C ATOM 21 C SER A 3 -0.935 -34.717 10.276 1.00 0.00 C ATOM 22 O SER A 3 -0.495 -34.995 11.391 1.00 0.00 O ATOM 23 CB SER A 3 0.590 -36.499 9.403 1.00 0.00 C ATOM 24 OG SER A 3 0.143 -37.580 10.203 1.00 0.00 O ATOM 0 H SER A 3 -0.741 -34.869 7.083 1.00 0.00 H new ATOM 0 HA SER A 3 -1.431 -36.148 8.765 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.039 -36.882 8.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.367 -35.948 9.932 1.00 0.00 H new ATOM 0 HG SER A 3 -0.282 -37.232 11.015 1.00 0.00 H new ATOM 30 N GLY A 4 -1.747 -33.689 10.055 1.00 0.00 N ATOM 31 CA GLY A 4 -2.164 -32.825 11.143 1.00 0.00 C ATOM 32 C GLY A 4 -1.423 -31.503 11.152 1.00 0.00 C ATOM 33 O GLY A 4 -1.203 -30.901 10.102 1.00 0.00 O ATOM 0 H GLY A 4 -2.124 -33.439 9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.235 -32.637 11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.000 -33.336 12.092 1.00 0.00 H new ATOM 37 N SER A 5 -1.036 -31.051 12.340 1.00 0.00 N ATOM 38 CA SER A 5 -0.319 -29.789 12.482 1.00 0.00 C ATOM 39 C SER A 5 1.036 -30.007 13.148 1.00 0.00 C ATOM 40 O SER A 5 2.060 -29.513 12.673 1.00 0.00 O ATOM 41 CB SER A 5 -1.148 -28.796 13.300 1.00 0.00 C ATOM 42 OG SER A 5 -1.552 -29.363 14.534 1.00 0.00 O ATOM 0 H SER A 5 -1.207 -31.540 13.219 1.00 0.00 H new ATOM 0 HA SER A 5 -0.154 -29.379 11.486 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.563 -27.895 13.485 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.027 -28.495 12.730 1.00 0.00 H new ATOM 0 HG SER A 5 -2.078 -28.708 15.038 1.00 0.00 H new ATOM 48 N SER A 6 1.035 -30.748 14.251 1.00 0.00 N ATOM 49 CA SER A 6 2.264 -31.028 14.985 1.00 0.00 C ATOM 50 C SER A 6 3.052 -29.746 15.234 1.00 0.00 C ATOM 51 O SER A 6 4.269 -29.707 15.058 1.00 0.00 O ATOM 52 CB SER A 6 3.126 -32.030 14.215 1.00 0.00 C ATOM 53 OG SER A 6 3.437 -31.544 12.920 1.00 0.00 O ATOM 0 H SER A 6 0.197 -31.165 14.656 1.00 0.00 H new ATOM 0 HA SER A 6 1.993 -31.459 15.949 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.047 -32.222 14.766 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.599 -32.981 14.134 1.00 0.00 H new ATOM 0 HG SER A 6 3.328 -30.570 12.901 1.00 0.00 H new ATOM 59 N GLY A 7 2.348 -28.695 15.645 1.00 0.00 N ATOM 60 CA GLY A 7 2.997 -27.426 15.912 1.00 0.00 C ATOM 61 C GLY A 7 2.006 -26.322 16.228 1.00 0.00 C ATOM 62 O GLY A 7 0.798 -26.556 16.262 1.00 0.00 O ATOM 0 H GLY A 7 1.339 -28.701 15.798 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.685 -27.543 16.749 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.594 -27.138 15.047 1.00 0.00 H new ATOM 66 N GLU A 8 2.518 -25.118 16.461 1.00 0.00 N ATOM 67 CA GLU A 8 1.668 -23.976 16.780 1.00 0.00 C ATOM 68 C GLU A 8 1.731 -22.927 15.673 1.00 0.00 C ATOM 69 O GLU A 8 2.750 -22.259 15.494 1.00 0.00 O ATOM 70 CB GLU A 8 2.089 -23.354 18.112 1.00 0.00 C ATOM 71 CG GLU A 8 1.457 -24.023 19.322 1.00 0.00 C ATOM 72 CD GLU A 8 2.128 -25.335 19.679 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.157 -25.302 20.388 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.626 -26.395 19.251 1.00 0.00 O ATOM 0 H GLU A 8 3.516 -24.908 16.435 1.00 0.00 H new ATOM 0 HA GLU A 8 0.641 -24.331 16.863 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.174 -23.409 18.202 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.822 -22.297 18.111 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.511 -23.347 20.176 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.400 -24.202 19.123 1.00 0.00 H new ATOM 81 N GLN A 9 0.635 -22.788 14.934 1.00 0.00 N ATOM 82 CA GLN A 9 0.567 -21.821 13.845 1.00 0.00 C ATOM 83 C GLN A 9 0.785 -20.402 14.361 1.00 0.00 C ATOM 84 O GLN A 9 0.156 -19.983 15.332 1.00 0.00 O ATOM 85 CB GLN A 9 -0.785 -21.915 13.135 1.00 0.00 C ATOM 86 CG GLN A 9 -0.822 -22.963 12.035 1.00 0.00 C ATOM 87 CD GLN A 9 -1.947 -22.731 11.045 1.00 0.00 C ATOM 88 OE1 GLN A 9 -3.073 -23.186 11.250 1.00 0.00 O ATOM 89 NE2 GLN A 9 -1.649 -22.019 9.964 1.00 0.00 N ATOM 0 H GLN A 9 -0.217 -23.332 15.069 1.00 0.00 H new ATOM 0 HA GLN A 9 1.360 -22.056 13.135 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.557 -22.144 13.870 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.030 -20.943 12.708 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.130 -22.961 11.504 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.935 -23.950 12.483 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.703 -21.661 9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.366 -21.830 9.264 1.00 0.00 H new ATOM 98 N GLU A 10 1.680 -19.670 13.706 1.00 0.00 N ATOM 99 CA GLU A 10 1.981 -18.299 14.101 1.00 0.00 C ATOM 100 C GLU A 10 1.358 -17.303 13.127 1.00 0.00 C ATOM 101 O GLU A 10 2.064 -16.634 12.371 1.00 0.00 O ATOM 102 CB GLU A 10 3.495 -18.085 14.169 1.00 0.00 C ATOM 103 CG GLU A 10 4.276 -18.951 13.194 1.00 0.00 C ATOM 104 CD GLU A 10 4.400 -20.388 13.661 1.00 0.00 C ATOM 105 OE1 GLU A 10 4.579 -20.602 14.878 1.00 0.00 O ATOM 106 OE2 GLU A 10 4.318 -21.299 12.810 1.00 0.00 O ATOM 0 H GLU A 10 2.209 -20.003 12.900 1.00 0.00 H new ATOM 0 HA GLU A 10 1.553 -18.130 15.089 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.715 -17.037 13.967 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.838 -18.293 15.182 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.785 -18.930 12.221 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.272 -18.530 13.057 1.00 0.00 H new ATOM 113 N ASP A 11 0.034 -17.211 13.151 1.00 0.00 N ATOM 114 CA ASP A 11 -0.685 -16.297 12.271 1.00 0.00 C ATOM 115 C ASP A 11 -0.643 -14.872 12.816 1.00 0.00 C ATOM 116 O ASP A 11 -0.434 -13.917 12.068 1.00 0.00 O ATOM 117 CB ASP A 11 -2.137 -16.750 12.106 1.00 0.00 C ATOM 118 CG ASP A 11 -2.730 -17.275 13.398 1.00 0.00 C ATOM 119 OD1 ASP A 11 -2.552 -18.477 13.687 1.00 0.00 O ATOM 120 OD2 ASP A 11 -3.374 -16.485 14.119 1.00 0.00 O ATOM 0 H ASP A 11 -0.564 -17.758 13.770 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.196 -16.309 11.297 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.737 -15.913 11.748 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.188 -17.528 11.344 1.00 0.00 H new ATOM 125 N ARG A 12 -0.844 -14.738 14.123 1.00 0.00 N ATOM 126 CA ARG A 12 -0.831 -13.430 14.767 1.00 0.00 C ATOM 127 C ARG A 12 0.378 -12.615 14.319 1.00 0.00 C ATOM 128 O ARG A 12 0.341 -11.385 14.310 1.00 0.00 O ATOM 129 CB ARG A 12 -0.818 -13.588 16.289 1.00 0.00 C ATOM 130 CG ARG A 12 0.436 -14.263 16.820 1.00 0.00 C ATOM 131 CD ARG A 12 0.418 -14.357 18.337 1.00 0.00 C ATOM 132 NE ARG A 12 -0.497 -15.392 18.811 1.00 0.00 N ATOM 133 CZ ARG A 12 -0.231 -16.692 18.748 1.00 0.00 C ATOM 134 NH1 ARG A 12 0.917 -17.113 18.233 1.00 0.00 N ATOM 135 NH2 ARG A 12 -1.114 -17.574 19.199 1.00 0.00 N ATOM 0 H ARG A 12 -1.018 -15.519 14.756 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.735 -12.898 14.471 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.914 -12.604 16.749 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.689 -14.168 16.593 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.521 -15.262 16.393 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.315 -13.704 16.499 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.424 -14.569 18.699 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.125 -13.394 18.756 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.388 -15.101 19.212 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.598 -16.438 17.884 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.119 -18.112 18.186 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.998 -17.254 19.595 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.909 -18.572 19.150 1.00 0.00 H new ATOM 149 N ALA A 13 1.449 -13.309 13.948 1.00 0.00 N ATOM 150 CA ALA A 13 2.669 -12.651 13.497 1.00 0.00 C ATOM 151 C ALA A 13 2.573 -12.269 12.024 1.00 0.00 C ATOM 152 O ALA A 13 3.021 -11.194 11.621 1.00 0.00 O ATOM 153 CB ALA A 13 3.873 -13.550 13.735 1.00 0.00 C ATOM 0 H ALA A 13 1.496 -14.328 13.951 1.00 0.00 H new ATOM 0 HA ALA A 13 2.794 -11.736 14.075 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.777 -13.046 13.393 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.959 -13.768 14.799 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.747 -14.481 13.183 1.00 0.00 H new ATOM 159 N LEU A 14 1.990 -13.154 11.225 1.00 0.00 N ATOM 160 CA LEU A 14 1.837 -12.910 9.795 1.00 0.00 C ATOM 161 C LEU A 14 0.910 -11.726 9.540 1.00 0.00 C ATOM 162 O LEU A 14 1.110 -10.959 8.598 1.00 0.00 O ATOM 163 CB LEU A 14 1.290 -14.158 9.099 1.00 0.00 C ATOM 164 CG LEU A 14 2.248 -15.347 9.006 1.00 0.00 C ATOM 165 CD1 LEU A 14 1.485 -16.622 8.682 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.322 -15.086 7.960 1.00 0.00 C ATOM 0 H LEU A 14 1.615 -14.048 11.543 1.00 0.00 H new ATOM 0 HA LEU A 14 2.819 -12.674 9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.392 -14.480 9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.985 -13.883 8.089 1.00 0.00 H new ATOM 0 HG LEU A 14 2.734 -15.474 9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.182 -17.457 8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.754 -16.818 9.466 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.971 -16.506 7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.994 -15.942 7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.853 -14.932 6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.888 -14.196 8.234 1.00 0.00 H new ATOM 178 N ARG A 15 -0.104 -11.583 10.387 1.00 0.00 N ATOM 179 CA ARG A 15 -1.062 -10.490 10.255 1.00 0.00 C ATOM 180 C ARG A 15 -0.518 -9.212 10.884 1.00 0.00 C ATOM 181 O ARG A 15 -0.982 -8.112 10.581 1.00 0.00 O ATOM 182 CB ARG A 15 -2.391 -10.869 10.911 1.00 0.00 C ATOM 183 CG ARG A 15 -2.281 -11.136 12.403 1.00 0.00 C ATOM 184 CD ARG A 15 -2.492 -9.867 13.213 1.00 0.00 C ATOM 185 NE ARG A 15 -2.498 -10.130 14.650 1.00 0.00 N ATOM 186 CZ ARG A 15 -3.515 -10.697 15.288 1.00 0.00 C ATOM 187 NH1 ARG A 15 -4.602 -11.059 14.621 1.00 0.00 N ATOM 188 NH2 ARG A 15 -3.446 -10.903 16.597 1.00 0.00 N ATOM 0 H ARG A 15 -0.284 -12.209 11.172 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.227 -10.309 9.193 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.109 -10.066 10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.788 -11.757 10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.019 -11.883 12.695 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.299 -11.553 12.628 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.703 -9.152 12.979 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.437 -9.406 12.925 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.676 -9.864 15.193 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.659 -10.902 13.615 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.382 -11.494 15.114 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.611 -10.626 17.114 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.228 -11.339 17.087 1.00 0.00 H new ATOM 202 N SER A 16 0.468 -9.363 11.762 1.00 0.00 N ATOM 203 CA SER A 16 1.073 -8.220 12.437 1.00 0.00 C ATOM 204 C SER A 16 2.257 -7.682 11.640 1.00 0.00 C ATOM 205 O SER A 16 3.210 -7.148 12.206 1.00 0.00 O ATOM 206 CB SER A 16 1.528 -8.614 13.844 1.00 0.00 C ATOM 207 OG SER A 16 2.071 -7.501 14.534 1.00 0.00 O ATOM 0 H SER A 16 0.865 -10.265 12.023 1.00 0.00 H new ATOM 0 HA SER A 16 0.321 -7.434 12.512 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.684 -9.016 14.404 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.274 -9.406 13.780 1.00 0.00 H new ATOM 0 HG SER A 16 2.650 -6.992 13.929 1.00 0.00 H new ATOM 213 N PHE A 17 2.189 -7.826 10.321 1.00 0.00 N ATOM 214 CA PHE A 17 3.255 -7.356 9.443 1.00 0.00 C ATOM 215 C PHE A 17 2.963 -5.945 8.943 1.00 0.00 C ATOM 216 O PHE A 17 1.966 -5.709 8.259 1.00 0.00 O ATOM 217 CB PHE A 17 3.423 -8.307 8.256 1.00 0.00 C ATOM 218 CG PHE A 17 4.110 -7.677 7.077 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.390 -6.935 6.155 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.475 -7.828 6.893 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.020 -6.356 5.069 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.110 -7.250 5.809 1.00 0.00 C ATOM 223 CZ PHE A 17 5.382 -6.513 4.897 1.00 0.00 C ATOM 0 H PHE A 17 1.406 -8.265 9.836 1.00 0.00 H new ATOM 0 HA PHE A 17 4.182 -7.335 10.016 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.994 -9.178 8.576 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.441 -8.666 7.946 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.326 -6.807 6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.049 -8.403 7.604 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.448 -5.781 4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.174 -7.375 5.676 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.876 -6.060 4.050 1.00 0.00 H new ATOM 233 N LYS A 18 3.841 -5.008 9.286 1.00 0.00 N ATOM 234 CA LYS A 18 3.681 -3.620 8.872 1.00 0.00 C ATOM 235 C LYS A 18 4.651 -3.272 7.747 1.00 0.00 C ATOM 236 O LYS A 18 5.867 -3.388 7.904 1.00 0.00 O ATOM 237 CB LYS A 18 3.905 -2.682 10.060 1.00 0.00 C ATOM 238 CG LYS A 18 3.820 -1.210 9.698 1.00 0.00 C ATOM 239 CD LYS A 18 3.601 -0.345 10.928 1.00 0.00 C ATOM 240 CE LYS A 18 4.215 1.036 10.756 1.00 0.00 C ATOM 241 NZ LYS A 18 3.767 1.978 11.819 1.00 0.00 N ATOM 0 H LYS A 18 4.672 -5.186 9.851 1.00 0.00 H new ATOM 0 HA LYS A 18 2.663 -3.493 8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.165 -2.901 10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.885 -2.885 10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.738 -0.904 9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.004 -1.054 8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.532 -0.248 11.120 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.038 -0.833 11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.302 0.955 10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.943 1.435 9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.207 2.908 11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.732 2.075 11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.048 1.610 12.750 1.00 0.00 H new ATOM 255 N LEU A 19 4.106 -2.844 6.613 1.00 0.00 N ATOM 256 CA LEU A 19 4.923 -2.478 5.462 1.00 0.00 C ATOM 257 C LEU A 19 4.915 -0.968 5.245 1.00 0.00 C ATOM 258 O LEU A 19 3.945 -0.288 5.583 1.00 0.00 O ATOM 259 CB LEU A 19 4.416 -3.188 4.205 1.00 0.00 C ATOM 260 CG LEU A 19 4.939 -2.648 2.873 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.357 -3.135 2.619 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.018 -3.062 1.733 1.00 0.00 C ATOM 0 H LEU A 19 3.102 -2.742 6.467 1.00 0.00 H new ATOM 0 HA LEU A 19 5.948 -2.792 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.681 -4.243 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.327 -3.133 4.195 1.00 0.00 H new ATOM 0 HG LEU A 19 4.955 -1.559 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.712 -2.741 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.009 -2.790 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.367 -4.224 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.404 -2.670 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.970 -4.150 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.019 -2.663 1.909 1.00 0.00 H new ATOM 274 N SER A 20 5.999 -0.450 4.679 1.00 0.00 N ATOM 275 CA SER A 20 6.117 0.980 4.418 1.00 0.00 C ATOM 276 C SER A 20 6.615 1.234 2.999 1.00 0.00 C ATOM 277 O SER A 20 7.723 0.840 2.638 1.00 0.00 O ATOM 278 CB SER A 20 7.066 1.628 5.428 1.00 0.00 C ATOM 279 OG SER A 20 6.372 2.026 6.597 1.00 0.00 O ATOM 0 H SER A 20 6.809 -0.999 4.392 1.00 0.00 H new ATOM 0 HA SER A 20 5.128 1.426 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.856 0.925 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.548 2.494 4.975 1.00 0.00 H new ATOM 0 HG SER A 20 7.001 2.436 7.227 1.00 0.00 H new ATOM 285 N VAL A 21 5.787 1.897 2.198 1.00 0.00 N ATOM 286 CA VAL A 21 6.142 2.207 0.818 1.00 0.00 C ATOM 287 C VAL A 21 6.668 3.632 0.693 1.00 0.00 C ATOM 288 O VAL A 21 6.077 4.574 1.223 1.00 0.00 O ATOM 289 CB VAL A 21 4.937 2.030 -0.124 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.403 1.876 -1.565 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.096 0.838 0.303 1.00 0.00 C ATOM 0 H VAL A 21 4.865 2.230 2.481 1.00 0.00 H new ATOM 0 HA VAL A 21 6.926 1.508 0.527 1.00 0.00 H new ATOM 0 HB VAL A 21 4.316 2.924 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.538 1.752 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.958 2.765 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.047 1.001 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.249 0.729 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.704 -0.066 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.731 0.995 1.318 1.00 0.00 H new ATOM 301 N THR A 22 7.782 3.786 -0.015 1.00 0.00 N ATOM 302 CA THR A 22 8.390 5.096 -0.211 1.00 0.00 C ATOM 303 C THR A 22 7.874 5.756 -1.484 1.00 0.00 C ATOM 304 O THR A 22 8.394 5.517 -2.574 1.00 0.00 O ATOM 305 CB THR A 22 9.925 5.000 -0.281 1.00 0.00 C ATOM 306 OG1 THR A 22 10.414 4.183 0.788 1.00 0.00 O ATOM 307 CG2 THR A 22 10.558 6.381 -0.203 1.00 0.00 C ATOM 0 H THR A 22 8.282 3.018 -0.463 1.00 0.00 H new ATOM 0 HA THR A 22 8.112 5.705 0.649 1.00 0.00 H new ATOM 0 HB THR A 22 10.196 4.548 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.849 4.307 1.579 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.643 6.287 -0.254 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.206 6.990 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.279 6.857 0.737 1.00 0.00 H new ATOM 315 N VAL A 23 6.847 6.588 -1.341 1.00 0.00 N ATOM 316 CA VAL A 23 6.262 7.285 -2.480 1.00 0.00 C ATOM 317 C VAL A 23 5.940 8.733 -2.133 1.00 0.00 C ATOM 318 O VAL A 23 5.276 9.010 -1.135 1.00 0.00 O ATOM 319 CB VAL A 23 4.977 6.587 -2.965 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.177 7.510 -3.872 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.314 5.286 -3.678 1.00 0.00 C ATOM 0 H VAL A 23 6.403 6.796 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 23 7.003 7.263 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 23 4.363 6.350 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.273 7.000 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.904 8.412 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.780 7.781 -4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.395 4.806 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.949 5.497 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.841 4.621 -2.993 1.00 0.00 H new ATOM 331 N ASP A 24 6.416 9.655 -2.964 1.00 0.00 N ATOM 332 CA ASP A 24 6.177 11.077 -2.745 1.00 0.00 C ATOM 333 C ASP A 24 4.732 11.329 -2.329 1.00 0.00 C ATOM 334 O ASP A 24 3.801 10.674 -2.800 1.00 0.00 O ATOM 335 CB ASP A 24 6.502 11.870 -4.013 1.00 0.00 C ATOM 336 CG ASP A 24 7.966 11.775 -4.397 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.642 10.835 -3.930 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.433 12.640 -5.166 1.00 0.00 O ATOM 0 H ASP A 24 6.969 9.443 -3.794 1.00 0.00 H new ATOM 0 HA ASP A 24 6.830 11.410 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.889 11.501 -4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.236 12.916 -3.862 1.00 0.00 H new ATOM 343 N PRO A 25 4.537 12.298 -1.423 1.00 0.00 N ATOM 344 CA PRO A 25 3.206 12.657 -0.922 1.00 0.00 C ATOM 345 C PRO A 25 2.353 13.342 -1.984 1.00 0.00 C ATOM 346 O PRO A 25 1.198 13.689 -1.738 1.00 0.00 O ATOM 347 CB PRO A 25 3.509 13.624 0.226 1.00 0.00 C ATOM 348 CG PRO A 25 4.839 14.205 -0.108 1.00 0.00 C ATOM 349 CD PRO A 25 5.600 13.119 -0.817 1.00 0.00 C ATOM 0 HA PRO A 25 2.634 11.780 -0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.746 14.399 0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.533 13.105 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.732 15.085 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.363 14.524 0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.273 13.527 -1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.211 12.539 -0.125 1.00 0.00 H new ATOM 357 N LYS A 26 2.929 13.536 -3.165 1.00 0.00 N ATOM 358 CA LYS A 26 2.222 14.178 -4.266 1.00 0.00 C ATOM 359 C LYS A 26 1.326 13.180 -4.993 1.00 0.00 C ATOM 360 O LYS A 26 0.257 13.538 -5.490 1.00 0.00 O ATOM 361 CB LYS A 26 3.219 14.794 -5.250 1.00 0.00 C ATOM 362 CG LYS A 26 3.923 13.771 -6.124 1.00 0.00 C ATOM 363 CD LYS A 26 4.670 14.435 -7.269 1.00 0.00 C ATOM 364 CE LYS A 26 6.067 14.864 -6.848 1.00 0.00 C ATOM 365 NZ LYS A 26 6.064 16.205 -6.199 1.00 0.00 N ATOM 0 H LYS A 26 3.885 13.257 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 26 1.596 14.967 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.694 15.505 -5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.966 15.358 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.622 13.194 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.192 13.068 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.738 13.744 -8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.110 15.304 -7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.481 14.128 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.719 14.885 -7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.778 16.811 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.125 16.639 -6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.287 16.102 -5.188 1.00 0.00 H new ATOM 379 N TYR A 27 1.766 11.929 -5.049 1.00 0.00 N ATOM 380 CA TYR A 27 1.004 10.879 -5.716 1.00 0.00 C ATOM 381 C TYR A 27 0.069 10.178 -4.735 1.00 0.00 C ATOM 382 O TYR A 27 -0.868 9.487 -5.136 1.00 0.00 O ATOM 383 CB TYR A 27 1.949 9.860 -6.354 1.00 0.00 C ATOM 384 CG TYR A 27 2.918 10.470 -7.342 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.518 11.484 -8.203 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.234 10.032 -7.415 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.399 12.043 -9.108 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.123 10.586 -8.315 1.00 0.00 C ATOM 389 CZ TYR A 27 4.700 11.591 -9.161 1.00 0.00 C ATOM 390 OH TYR A 27 5.582 12.146 -10.059 1.00 0.00 O ATOM 0 H TYR A 27 2.647 11.616 -4.641 1.00 0.00 H new ATOM 0 HA TYR A 27 0.401 11.343 -6.497 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.513 9.357 -5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.359 9.097 -6.861 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.500 11.842 -8.164 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.568 9.244 -6.756 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.070 12.830 -9.771 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.143 10.235 -8.357 1.00 0.00 H new ATOM 0 HH TYR A 27 6.458 12.252 -9.634 1.00 0.00 H new ATOM 400 N HIS A 28 0.333 10.359 -3.444 1.00 0.00 N ATOM 401 CA HIS A 28 -0.485 9.746 -2.404 1.00 0.00 C ATOM 402 C HIS A 28 -1.970 9.923 -2.704 1.00 0.00 C ATOM 403 O HIS A 28 -2.717 8.956 -2.858 1.00 0.00 O ATOM 404 CB HIS A 28 -0.152 10.352 -1.041 1.00 0.00 C ATOM 405 CG HIS A 28 0.887 9.585 -0.281 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.922 8.830 -0.716 1.00 0.00 N flip ATOM 407 CD2 HIS A 28 0.932 9.539 1.096 1.00 0.00 C flip ATOM 408 CE1 HIS A 28 2.569 8.347 0.396 1.00 0.00 C flip ATOM 409 NE2 HIS A 28 1.952 8.791 1.476 1.00 0.00 N flip ATOM 0 H HIS A 28 1.106 10.925 -3.094 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.262 8.679 -2.383 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.195 11.375 -1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.062 10.404 -0.444 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.175 8.652 -1.688 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.241 10.037 1.760 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.440 7.708 0.388 1.00 0.00 H new ATOM 417 N PRO A 29 -2.410 11.187 -2.789 1.00 0.00 N ATOM 418 CA PRO A 29 -3.809 11.521 -3.071 1.00 0.00 C ATOM 419 C PRO A 29 -4.210 11.182 -4.503 1.00 0.00 C ATOM 420 O PRO A 29 -5.385 11.244 -4.861 1.00 0.00 O ATOM 421 CB PRO A 29 -3.866 13.034 -2.844 1.00 0.00 C ATOM 422 CG PRO A 29 -2.471 13.504 -3.077 1.00 0.00 C ATOM 423 CD PRO A 29 -1.576 12.388 -2.616 1.00 0.00 C ATOM 0 HA PRO A 29 -4.497 10.955 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.565 13.511 -3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.200 13.271 -1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.305 13.727 -4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.270 14.420 -2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.664 12.333 -3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.272 12.520 -1.578 1.00 0.00 H new ATOM 431 N LYS A 30 -3.223 10.825 -5.318 1.00 0.00 N ATOM 432 CA LYS A 30 -3.471 10.475 -6.713 1.00 0.00 C ATOM 433 C LYS A 30 -3.799 8.992 -6.850 1.00 0.00 C ATOM 434 O LYS A 30 -4.466 8.580 -7.800 1.00 0.00 O ATOM 435 CB LYS A 30 -2.253 10.820 -7.571 1.00 0.00 C ATOM 436 CG LYS A 30 -2.061 12.312 -7.783 1.00 0.00 C ATOM 437 CD LYS A 30 -2.976 12.842 -8.873 1.00 0.00 C ATOM 438 CE LYS A 30 -2.944 14.362 -8.938 1.00 0.00 C ATOM 439 NZ LYS A 30 -4.142 14.913 -9.632 1.00 0.00 N ATOM 0 H LYS A 30 -2.244 10.770 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.327 11.053 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.359 10.411 -7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.353 10.334 -8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.259 12.841 -6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.023 12.512 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.674 12.429 -9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.996 12.506 -8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.891 14.768 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.042 14.684 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.083 15.951 -9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.179 14.546 -10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.001 14.627 -9.121 1.00 0.00 H new ATOM 453 N ILE A 31 -3.330 8.195 -5.896 1.00 0.00 N ATOM 454 CA ILE A 31 -3.575 6.759 -5.910 1.00 0.00 C ATOM 455 C ILE A 31 -4.928 6.426 -5.289 1.00 0.00 C ATOM 456 O ILE A 31 -5.634 5.533 -5.756 1.00 0.00 O ATOM 457 CB ILE A 31 -2.475 5.991 -5.156 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.093 6.385 -5.685 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.690 4.491 -5.287 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.000 6.298 -4.643 1.00 0.00 C ATOM 0 H ILE A 31 -2.778 8.520 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.570 6.450 -6.955 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.528 6.254 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.836 5.738 -6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.137 7.404 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.904 3.962 -4.748 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.660 4.224 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.661 4.210 -6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.951 6.591 -5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.234 6.966 -3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.072 5.274 -4.275 1.00 0.00 H new ATOM 472 N ILE A 32 -5.283 7.154 -4.235 1.00 0.00 N ATOM 473 CA ILE A 32 -6.552 6.938 -3.551 1.00 0.00 C ATOM 474 C ILE A 32 -7.720 6.993 -4.530 1.00 0.00 C ATOM 475 O ILE A 32 -8.654 6.197 -4.444 1.00 0.00 O ATOM 476 CB ILE A 32 -6.778 7.981 -2.441 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.720 7.829 -1.346 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.176 7.839 -1.857 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.636 9.021 -0.418 1.00 0.00 C ATOM 0 H ILE A 32 -4.710 7.898 -3.837 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.504 5.946 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.686 8.977 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.941 6.937 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.747 7.672 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.320 8.583 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.916 7.991 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.295 6.841 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.866 8.844 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.385 9.912 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.597 9.166 0.075 1.00 0.00 H new ATOM 491 N GLY A 33 -7.659 7.939 -5.463 1.00 0.00 N ATOM 492 CA GLY A 33 -8.717 8.080 -6.447 1.00 0.00 C ATOM 493 C GLY A 33 -9.621 9.262 -6.160 1.00 0.00 C ATOM 494 O GLY A 33 -9.237 10.187 -5.444 1.00 0.00 O ATOM 0 H GLY A 33 -6.896 8.610 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.275 8.196 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.313 7.168 -6.469 1.00 0.00 H new ATOM 498 N ARG A 34 -10.827 9.232 -6.720 1.00 0.00 N ATOM 499 CA ARG A 34 -11.787 10.311 -6.523 1.00 0.00 C ATOM 500 C ARG A 34 -12.346 10.288 -5.104 1.00 0.00 C ATOM 501 O ARG A 34 -12.083 11.188 -4.306 1.00 0.00 O ATOM 502 CB ARG A 34 -12.929 10.196 -7.535 1.00 0.00 C ATOM 503 CG ARG A 34 -12.577 10.733 -8.913 1.00 0.00 C ATOM 504 CD ARG A 34 -11.563 9.845 -9.614 1.00 0.00 C ATOM 505 NE ARG A 34 -12.150 8.580 -10.048 1.00 0.00 N ATOM 506 CZ ARG A 34 -11.597 7.789 -10.961 1.00 0.00 C ATOM 507 NH1 ARG A 34 -10.450 8.129 -11.532 1.00 0.00 N ATOM 508 NH2 ARG A 34 -12.192 6.654 -11.304 1.00 0.00 N ATOM 0 H ARG A 34 -11.161 8.473 -7.313 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.269 11.258 -6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -13.219 9.149 -7.625 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.796 10.736 -7.155 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.480 10.804 -9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.176 11.742 -8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.156 10.371 -10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.729 9.646 -8.941 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.032 8.288 -9.627 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.989 9.001 -11.271 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.029 7.519 -12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.074 6.388 -10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.767 6.047 -12.005 1.00 0.00 H new ATOM 522 N LYS A 35 -13.121 9.253 -4.795 1.00 0.00 N ATOM 523 CA LYS A 35 -13.718 9.112 -3.472 1.00 0.00 C ATOM 524 C LYS A 35 -12.921 8.130 -2.619 1.00 0.00 C ATOM 525 O LYS A 35 -12.911 8.225 -1.392 1.00 0.00 O ATOM 526 CB LYS A 35 -15.168 8.639 -3.593 1.00 0.00 C ATOM 527 CG LYS A 35 -16.146 9.753 -3.920 1.00 0.00 C ATOM 528 CD LYS A 35 -17.581 9.336 -3.644 1.00 0.00 C ATOM 529 CE LYS A 35 -18.153 8.517 -4.792 1.00 0.00 C ATOM 530 NZ LYS A 35 -18.635 9.383 -5.904 1.00 0.00 N ATOM 0 H LYS A 35 -13.350 8.500 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.700 10.087 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.229 7.875 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.467 8.168 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.903 10.636 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.043 10.032 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.621 8.753 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.195 10.223 -3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.390 7.835 -5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.976 7.904 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.017 8.788 -6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.381 10.017 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.844 9.950 -6.271 1.00 0.00 H new ATOM 544 N GLY A 36 -12.252 7.188 -3.276 1.00 0.00 N ATOM 545 CA GLY A 36 -11.461 6.204 -2.562 1.00 0.00 C ATOM 546 C GLY A 36 -11.802 4.783 -2.963 1.00 0.00 C ATOM 547 O GLY A 36 -11.779 3.874 -2.134 1.00 0.00 O ATOM 0 H GLY A 36 -12.244 7.089 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.403 6.387 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.619 6.324 -1.490 1.00 0.00 H new ATOM 551 N ALA A 37 -12.119 4.590 -4.239 1.00 0.00 N ATOM 552 CA ALA A 37 -12.466 3.269 -4.749 1.00 0.00 C ATOM 553 C ALA A 37 -11.238 2.555 -5.302 1.00 0.00 C ATOM 554 O ALA A 37 -11.021 1.373 -5.032 1.00 0.00 O ATOM 555 CB ALA A 37 -13.540 3.384 -5.821 1.00 0.00 C ATOM 0 H ALA A 37 -12.143 5.332 -4.939 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.856 2.677 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.790 2.391 -6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.431 3.847 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.170 3.997 -6.643 1.00 0.00 H new ATOM 561 N VAL A 38 -10.437 3.278 -6.079 1.00 0.00 N ATOM 562 CA VAL A 38 -9.230 2.713 -6.669 1.00 0.00 C ATOM 563 C VAL A 38 -8.431 1.924 -5.637 1.00 0.00 C ATOM 564 O VAL A 38 -8.191 0.727 -5.806 1.00 0.00 O ATOM 565 CB VAL A 38 -8.331 3.810 -7.269 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.044 3.209 -7.812 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.074 4.572 -8.355 1.00 0.00 C ATOM 0 H VAL A 38 -10.603 4.257 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.552 2.042 -7.466 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.069 4.513 -6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.422 4.000 -8.232 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.505 2.713 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.281 2.483 -8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.424 5.343 -8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.368 3.883 -9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.964 5.037 -7.930 1.00 0.00 H new ATOM 577 N ILE A 39 -8.021 2.601 -4.570 1.00 0.00 N ATOM 578 CA ILE A 39 -7.251 1.963 -3.511 1.00 0.00 C ATOM 579 C ILE A 39 -7.975 0.736 -2.967 1.00 0.00 C ATOM 580 O ILE A 39 -7.360 -0.300 -2.710 1.00 0.00 O ATOM 581 CB ILE A 39 -6.973 2.938 -2.352 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.017 2.303 -1.340 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.274 3.341 -1.676 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.595 2.185 -1.844 1.00 0.00 C ATOM 0 H ILE A 39 -8.210 3.592 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.303 1.656 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.502 3.834 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.022 2.896 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.385 1.311 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.061 4.030 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.925 3.828 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.770 2.454 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.973 1.726 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.577 1.567 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.209 3.177 -2.079 1.00 0.00 H new ATOM 596 N THR A 40 -9.287 0.859 -2.793 1.00 0.00 N ATOM 597 CA THR A 40 -10.097 -0.239 -2.280 1.00 0.00 C ATOM 598 C THR A 40 -9.881 -1.509 -3.096 1.00 0.00 C ATOM 599 O THR A 40 -9.433 -2.527 -2.569 1.00 0.00 O ATOM 600 CB THR A 40 -11.595 0.116 -2.290 1.00 0.00 C ATOM 601 OG1 THR A 40 -11.824 1.300 -1.519 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.426 -1.028 -1.728 1.00 0.00 C ATOM 0 H THR A 40 -9.812 1.709 -3.000 1.00 0.00 H new ATOM 0 HA THR A 40 -9.780 -0.413 -1.252 1.00 0.00 H new ATOM 0 HB THR A 40 -11.896 0.291 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.718 2.089 -2.091 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.481 -0.754 -1.745 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.273 -1.921 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.120 -1.230 -0.701 1.00 0.00 H new ATOM 610 N GLN A 41 -10.202 -1.441 -4.384 1.00 0.00 N ATOM 611 CA GLN A 41 -10.043 -2.586 -5.272 1.00 0.00 C ATOM 612 C GLN A 41 -8.710 -3.285 -5.026 1.00 0.00 C ATOM 613 O GLN A 41 -8.637 -4.514 -5.007 1.00 0.00 O ATOM 614 CB GLN A 41 -10.139 -2.142 -6.733 1.00 0.00 C ATOM 615 CG GLN A 41 -9.901 -3.268 -7.727 1.00 0.00 C ATOM 616 CD GLN A 41 -8.435 -3.632 -7.858 1.00 0.00 C ATOM 617 OE1 GLN A 41 -8.087 -4.844 -7.442 1.00 0.00 O flip ATOM 618 NE2 GLN A 41 -7.625 -2.833 -8.328 1.00 0.00 N flip ATOM 0 H GLN A 41 -10.574 -0.605 -4.836 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.846 -3.292 -5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.126 -1.714 -6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.412 -1.350 -6.912 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.463 -4.148 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.287 -2.973 -8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.937 -1.912 -8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.642 -3.092 -8.410 1.00 0.00 H new ATOM 627 N ILE A 42 -7.659 -2.494 -4.839 1.00 0.00 N ATOM 628 CA ILE A 42 -6.328 -3.037 -4.593 1.00 0.00 C ATOM 629 C ILE A 42 -6.243 -3.679 -3.212 1.00 0.00 C ATOM 630 O ILE A 42 -5.667 -4.755 -3.051 1.00 0.00 O ATOM 631 CB ILE A 42 -5.246 -1.948 -4.708 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.184 -1.410 -6.140 1.00 0.00 C ATOM 633 CG2 ILE A 42 -3.893 -2.500 -4.285 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.462 -0.085 -6.256 1.00 0.00 C ATOM 0 H ILE A 42 -7.703 -1.475 -4.853 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.151 -3.796 -5.355 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.506 -1.126 -4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.685 -2.143 -6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.199 -1.296 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.138 -1.719 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.946 -2.840 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.624 -3.337 -4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.456 0.236 -7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.973 0.662 -5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.436 -0.198 -5.905 1.00 0.00 H new ATOM 646 N ARG A 43 -6.823 -3.012 -2.219 1.00 0.00 N ATOM 647 CA ARG A 43 -6.812 -3.517 -0.851 1.00 0.00 C ATOM 648 C ARG A 43 -7.542 -4.854 -0.760 1.00 0.00 C ATOM 649 O ARG A 43 -6.997 -5.839 -0.257 1.00 0.00 O ATOM 650 CB ARG A 43 -7.462 -2.505 0.094 1.00 0.00 C ATOM 651 CG ARG A 43 -6.655 -1.228 0.267 1.00 0.00 C ATOM 652 CD ARG A 43 -7.277 -0.313 1.310 1.00 0.00 C ATOM 653 NE ARG A 43 -8.460 0.374 0.799 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.432 0.840 1.576 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.361 0.694 2.891 1.00 0.00 N ATOM 656 NH2 ARG A 43 -10.477 1.454 1.035 1.00 0.00 N ATOM 0 H ARG A 43 -7.306 -2.121 -2.336 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.774 -3.667 -0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.452 -2.251 -0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.604 -2.970 1.069 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.636 -1.478 0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.592 -0.704 -0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.549 -0.897 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.541 0.423 1.632 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.545 0.503 -0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.559 0.223 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.109 1.053 3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.534 1.568 0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.223 1.812 1.631 1.00 0.00 H new ATOM 670 N LEU A 44 -8.776 -4.883 -1.250 1.00 0.00 N ATOM 671 CA LEU A 44 -9.581 -6.100 -1.225 1.00 0.00 C ATOM 672 C LEU A 44 -8.909 -7.216 -2.019 1.00 0.00 C ATOM 673 O LEU A 44 -8.813 -8.350 -1.554 1.00 0.00 O ATOM 674 CB LEU A 44 -10.975 -5.825 -1.790 1.00 0.00 C ATOM 675 CG LEU A 44 -11.883 -4.939 -0.935 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.055 -4.425 -1.758 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.380 -5.704 0.283 1.00 0.00 C ATOM 0 H LEU A 44 -9.241 -4.078 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.673 -6.423 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.863 -5.359 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.476 -6.780 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.304 -4.083 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.690 -3.797 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.681 -3.841 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.635 -5.269 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.024 -5.059 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.943 -6.579 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.529 -6.023 0.884 1.00 0.00 H new ATOM 689 N GLU A 45 -8.443 -6.881 -3.219 1.00 0.00 N ATOM 690 CA GLU A 45 -7.779 -7.855 -4.078 1.00 0.00 C ATOM 691 C GLU A 45 -6.735 -8.646 -3.295 1.00 0.00 C ATOM 692 O GLU A 45 -6.793 -9.875 -3.227 1.00 0.00 O ATOM 693 CB GLU A 45 -7.118 -7.153 -5.266 1.00 0.00 C ATOM 694 CG GLU A 45 -6.465 -8.108 -6.251 1.00 0.00 C ATOM 695 CD GLU A 45 -6.334 -7.514 -7.640 1.00 0.00 C ATOM 696 OE1 GLU A 45 -5.297 -6.879 -7.918 1.00 0.00 O ATOM 697 OE2 GLU A 45 -7.269 -7.688 -8.449 1.00 0.00 O ATOM 0 H GLU A 45 -8.513 -5.945 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.533 -8.549 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.868 -6.560 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.366 -6.458 -4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.477 -8.384 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.052 -9.025 -6.306 1.00 0.00 H new ATOM 704 N HIS A 46 -5.779 -7.934 -2.706 1.00 0.00 N ATOM 705 CA HIS A 46 -4.722 -8.569 -1.928 1.00 0.00 C ATOM 706 C HIS A 46 -5.171 -8.805 -0.490 1.00 0.00 C ATOM 707 O HIS A 46 -4.428 -9.358 0.321 1.00 0.00 O ATOM 708 CB HIS A 46 -3.459 -7.708 -1.945 1.00 0.00 C ATOM 709 CG HIS A 46 -2.963 -7.399 -3.324 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.406 -8.349 -4.154 1.00 0.00 N ATOM 711 CD2 HIS A 46 -2.945 -6.237 -4.019 1.00 0.00 C ATOM 712 CE1 HIS A 46 -2.065 -7.786 -5.299 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.382 -6.504 -5.243 1.00 0.00 N ATOM 0 H HIS A 46 -5.715 -6.917 -2.753 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.501 -9.534 -2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.660 -6.773 -1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.672 -8.221 -1.391 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.306 -5.279 -3.675 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.606 -8.288 -6.138 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.233 -5.823 -5.988 1.00 0.00 H new ATOM 721 N ASP A 47 -6.392 -8.381 -0.180 1.00 0.00 N ATOM 722 CA ASP A 47 -6.941 -8.545 1.161 1.00 0.00 C ATOM 723 C ASP A 47 -6.004 -7.952 2.208 1.00 0.00 C ATOM 724 O ASP A 47 -5.627 -8.623 3.170 1.00 0.00 O ATOM 725 CB ASP A 47 -7.185 -10.026 1.457 1.00 0.00 C ATOM 726 CG ASP A 47 -8.335 -10.242 2.422 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.498 -10.243 1.968 1.00 0.00 O ATOM 728 OD2 ASP A 47 -8.071 -10.409 3.631 1.00 0.00 O ATOM 0 H ASP A 47 -7.020 -7.921 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.891 -8.012 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.394 -10.550 0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.278 -10.465 1.873 1.00 0.00 H new ATOM 733 N VAL A 48 -5.633 -6.691 2.016 1.00 0.00 N ATOM 734 CA VAL A 48 -4.740 -6.006 2.944 1.00 0.00 C ATOM 735 C VAL A 48 -5.281 -4.630 3.313 1.00 0.00 C ATOM 736 O VAL A 48 -6.202 -4.122 2.675 1.00 0.00 O ATOM 737 CB VAL A 48 -3.328 -5.848 2.351 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.756 -7.204 1.964 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.355 -4.910 1.153 1.00 0.00 C ATOM 0 H VAL A 48 -5.937 -6.122 1.226 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.682 -6.623 3.841 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.681 -5.411 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.758 -7.072 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.699 -7.840 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.401 -7.672 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.349 -4.810 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.017 -5.316 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.719 -3.931 1.465 1.00 0.00 H new ATOM 749 N ASN A 49 -4.702 -4.030 4.348 1.00 0.00 N ATOM 750 CA ASN A 49 -5.126 -2.711 4.803 1.00 0.00 C ATOM 751 C ASN A 49 -4.101 -1.647 4.420 1.00 0.00 C ATOM 752 O ASN A 49 -2.954 -1.686 4.869 1.00 0.00 O ATOM 753 CB ASN A 49 -5.333 -2.714 6.319 1.00 0.00 C ATOM 754 CG ASN A 49 -5.953 -1.424 6.820 1.00 0.00 C ATOM 755 OD1 ASN A 49 -7.166 -1.230 6.733 1.00 0.00 O ATOM 756 ND2 ASN A 49 -5.121 -0.533 7.346 1.00 0.00 N ATOM 0 H ASN A 49 -3.938 -4.436 4.888 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.071 -2.472 4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.973 -3.552 6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.374 -2.869 6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.480 0.354 7.698 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.123 -0.736 7.398 1.00 0.00 H new ATOM 763 N ILE A 50 -4.522 -0.700 3.590 1.00 0.00 N ATOM 764 CA ILE A 50 -3.641 0.374 3.148 1.00 0.00 C ATOM 765 C ILE A 50 -4.065 1.713 3.743 1.00 0.00 C ATOM 766 O ILE A 50 -5.187 2.172 3.525 1.00 0.00 O ATOM 767 CB ILE A 50 -3.620 0.491 1.613 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.247 -0.853 0.984 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.645 1.574 1.177 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.580 -0.943 -0.490 1.00 0.00 C ATOM 0 H ILE A 50 -5.467 -0.654 3.210 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.640 0.124 3.498 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.617 0.768 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.179 -1.024 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.767 -1.650 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.642 1.644 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.950 2.530 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.643 1.324 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.289 -1.922 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.652 -0.804 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.040 -0.168 -1.033 1.00 0.00 H new ATOM 782 N GLN A 51 -3.162 2.336 4.492 1.00 0.00 N ATOM 783 CA GLN A 51 -3.443 3.623 5.117 1.00 0.00 C ATOM 784 C GLN A 51 -2.354 4.638 4.786 1.00 0.00 C ATOM 785 O GLN A 51 -1.165 4.359 4.934 1.00 0.00 O ATOM 786 CB GLN A 51 -3.563 3.462 6.633 1.00 0.00 C ATOM 787 CG GLN A 51 -4.461 4.501 7.286 1.00 0.00 C ATOM 788 CD GLN A 51 -4.173 4.677 8.763 1.00 0.00 C ATOM 789 OE1 GLN A 51 -3.749 5.747 9.202 1.00 0.00 O ATOM 790 NE2 GLN A 51 -4.399 3.625 9.541 1.00 0.00 N ATOM 0 H GLN A 51 -2.229 1.970 4.681 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.390 3.991 4.722 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.951 2.468 6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.569 3.523 7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.332 5.457 6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.503 4.208 7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.751 2.757 9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.221 3.685 10.544 1.00 0.00 H new ATOM 799 N PHE A 52 -2.770 5.818 4.336 1.00 0.00 N ATOM 800 CA PHE A 52 -1.829 6.875 3.982 1.00 0.00 C ATOM 801 C PHE A 52 -1.673 7.870 5.129 1.00 0.00 C ATOM 802 O PHE A 52 -2.584 8.082 5.929 1.00 0.00 O ATOM 803 CB PHE A 52 -2.299 7.604 2.721 1.00 0.00 C ATOM 804 CG PHE A 52 -2.377 6.717 1.511 1.00 0.00 C ATOM 805 CD1 PHE A 52 -1.259 6.497 0.724 1.00 0.00 C ATOM 806 CD2 PHE A 52 -3.569 6.104 1.162 1.00 0.00 C ATOM 807 CE1 PHE A 52 -1.328 5.682 -0.390 1.00 0.00 C ATOM 808 CE2 PHE A 52 -3.644 5.287 0.050 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.522 5.077 -0.729 1.00 0.00 C ATOM 0 H PHE A 52 -3.751 6.066 4.208 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.860 6.415 3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.281 8.039 2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.619 8.430 2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.322 6.968 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.450 6.266 1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.448 5.518 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.579 4.813 -0.210 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.579 4.442 -1.600 1.00 0.00 H new ATOM 819 N PRO A 53 -0.489 8.494 5.213 1.00 0.00 N ATOM 820 CA PRO A 53 -0.183 9.476 6.258 1.00 0.00 C ATOM 821 C PRO A 53 -0.964 10.773 6.079 1.00 0.00 C ATOM 822 O PRO A 53 -1.424 11.086 4.981 1.00 0.00 O ATOM 823 CB PRO A 53 1.317 9.727 6.081 1.00 0.00 C ATOM 824 CG PRO A 53 1.589 9.401 4.653 1.00 0.00 C ATOM 825 CD PRO A 53 0.644 8.289 4.294 1.00 0.00 C ATOM 0 HA PRO A 53 -0.454 9.114 7.250 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.575 10.762 6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.905 9.099 6.750 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.427 10.271 4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.625 9.093 4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.332 8.348 3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.103 7.310 4.434 1.00 0.00 H new ATOM 833 N ASP A 54 -1.111 11.524 7.166 1.00 0.00 N ATOM 834 CA ASP A 54 -1.837 12.788 7.129 1.00 0.00 C ATOM 835 C ASP A 54 -0.872 13.969 7.184 1.00 0.00 C ATOM 836 O ASP A 54 0.002 14.031 8.048 1.00 0.00 O ATOM 837 CB ASP A 54 -2.825 12.867 8.293 1.00 0.00 C ATOM 838 CG ASP A 54 -3.964 13.830 8.021 1.00 0.00 C ATOM 839 OD1 ASP A 54 -4.352 13.974 6.843 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.469 14.441 8.987 1.00 0.00 O ATOM 0 H ASP A 54 -0.737 11.279 8.083 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.389 12.835 6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.231 11.875 8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.297 13.179 9.194 1.00 0.00 H new ATOM 845 N LYS A 55 -1.037 14.904 6.255 1.00 0.00 N ATOM 846 CA LYS A 55 -0.183 16.084 6.195 1.00 0.00 C ATOM 847 C LYS A 55 -0.436 17.000 7.389 1.00 0.00 C ATOM 848 O LYS A 55 0.466 17.699 7.849 1.00 0.00 O ATOM 849 CB LYS A 55 -0.423 16.849 4.892 1.00 0.00 C ATOM 850 CG LYS A 55 -1.846 17.354 4.737 1.00 0.00 C ATOM 851 CD LYS A 55 -2.145 17.748 3.300 1.00 0.00 C ATOM 852 CE LYS A 55 -3.620 18.063 3.103 1.00 0.00 C ATOM 853 NZ LYS A 55 -4.426 16.830 2.883 1.00 0.00 N ATOM 0 H LYS A 55 -1.756 14.867 5.532 1.00 0.00 H new ATOM 0 HA LYS A 55 0.855 15.752 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.261 17.696 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.183 16.200 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.544 16.580 5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.002 18.212 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.547 18.618 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.852 16.938 2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.998 18.593 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.738 18.731 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.425 17.087 2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.082 16.337 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.334 16.203 3.708 1.00 0.00 H new ATOM 867 N ASP A 56 -1.668 16.989 7.885 1.00 0.00 N ATOM 868 CA ASP A 56 -2.039 17.817 9.027 1.00 0.00 C ATOM 869 C ASP A 56 -1.139 17.528 10.224 1.00 0.00 C ATOM 870 O ASP A 56 -0.784 18.433 10.979 1.00 0.00 O ATOM 871 CB ASP A 56 -3.503 17.578 9.404 1.00 0.00 C ATOM 872 CG ASP A 56 -4.464 18.093 8.350 1.00 0.00 C ATOM 873 OD1 ASP A 56 -4.537 19.327 8.167 1.00 0.00 O ATOM 874 OD2 ASP A 56 -5.142 17.263 7.709 1.00 0.00 O ATOM 0 H ASP A 56 -2.427 16.416 7.515 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.911 18.862 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.668 16.511 9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.715 18.067 10.355 1.00 0.00 H new ATOM 879 N ASP A 57 -0.776 16.261 10.391 1.00 0.00 N ATOM 880 CA ASP A 57 0.083 15.852 11.497 1.00 0.00 C ATOM 881 C ASP A 57 1.487 16.426 11.336 1.00 0.00 C ATOM 882 O ASP A 57 1.897 17.311 12.087 1.00 0.00 O ATOM 883 CB ASP A 57 0.149 14.326 11.582 1.00 0.00 C ATOM 884 CG ASP A 57 0.419 13.835 12.991 1.00 0.00 C ATOM 885 OD1 ASP A 57 1.558 14.009 13.471 1.00 0.00 O ATOM 886 OD2 ASP A 57 -0.510 13.279 13.613 1.00 0.00 O ATOM 0 H ASP A 57 -1.063 15.500 9.775 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.345 16.242 12.421 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.792 13.904 11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.932 13.962 10.917 1.00 0.00 H new ATOM 891 N GLY A 58 2.220 15.916 10.351 1.00 0.00 N ATOM 892 CA GLY A 58 3.571 16.390 10.109 1.00 0.00 C ATOM 893 C GLY A 58 4.622 15.432 10.635 1.00 0.00 C ATOM 894 O GLY A 58 5.339 14.801 9.859 1.00 0.00 O ATOM 0 H GLY A 58 1.903 15.183 9.716 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.717 16.533 9.038 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.702 17.364 10.581 1.00 0.00 H new ATOM 898 N ASN A 59 4.716 15.325 11.956 1.00 0.00 N ATOM 899 CA ASN A 59 5.690 14.439 12.584 1.00 0.00 C ATOM 900 C ASN A 59 5.847 13.150 11.785 1.00 0.00 C ATOM 901 O ASN A 59 6.961 12.671 11.573 1.00 0.00 O ATOM 902 CB ASN A 59 5.267 14.116 14.018 1.00 0.00 C ATOM 903 CG ASN A 59 5.652 15.210 14.996 1.00 0.00 C ATOM 904 OD1 ASN A 59 4.804 15.976 15.452 1.00 0.00 O ATOM 905 ND2 ASN A 59 6.937 15.286 15.321 1.00 0.00 N ATOM 0 H ASN A 59 4.130 15.841 12.613 1.00 0.00 H new ATOM 0 HA ASN A 59 6.651 14.952 12.603 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.188 13.967 14.050 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.728 13.178 14.327 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.256 16.001 15.974 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.605 14.629 14.918 1.00 0.00 H new ATOM 912 N GLN A 60 4.724 12.592 11.344 1.00 0.00 N ATOM 913 CA GLN A 60 4.737 11.358 10.568 1.00 0.00 C ATOM 914 C GLN A 60 5.085 11.636 9.109 1.00 0.00 C ATOM 915 O GLN A 60 4.841 12.722 8.583 1.00 0.00 O ATOM 916 CB GLN A 60 3.379 10.660 10.657 1.00 0.00 C ATOM 917 CG GLN A 60 2.231 11.489 10.103 1.00 0.00 C ATOM 918 CD GLN A 60 0.985 10.664 9.849 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.969 9.794 8.977 1.00 0.00 O ATOM 920 NE2 GLN A 60 -0.068 10.932 10.612 1.00 0.00 N ATOM 0 H GLN A 60 3.794 12.975 11.511 1.00 0.00 H new ATOM 0 HA GLN A 60 5.502 10.704 10.986 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.429 9.716 10.115 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.172 10.418 11.699 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.995 12.290 10.804 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.545 11.962 9.172 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.010 11.661 11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.934 10.408 10.488 1.00 0.00 H new ATOM 929 N PRO A 61 5.667 10.631 8.438 1.00 0.00 N ATOM 930 CA PRO A 61 6.061 10.742 7.031 1.00 0.00 C ATOM 931 C PRO A 61 4.858 10.800 6.095 1.00 0.00 C ATOM 932 O PRO A 61 3.927 10.004 6.218 1.00 0.00 O ATOM 933 CB PRO A 61 6.868 9.466 6.786 1.00 0.00 C ATOM 934 CG PRO A 61 6.356 8.495 7.792 1.00 0.00 C ATOM 935 CD PRO A 61 5.987 9.308 9.002 1.00 0.00 C ATOM 0 HA PRO A 61 6.618 11.658 6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.725 9.096 5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.936 9.642 6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.492 7.954 7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.114 7.751 8.038 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.135 8.879 9.530 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.809 9.363 9.715 1.00 0.00 H new ATOM 943 N GLN A 62 4.884 11.746 5.162 1.00 0.00 N ATOM 944 CA GLN A 62 3.794 11.907 4.207 1.00 0.00 C ATOM 945 C GLN A 62 4.073 11.125 2.927 1.00 0.00 C ATOM 946 O GLN A 62 3.182 10.932 2.099 1.00 0.00 O ATOM 947 CB GLN A 62 3.588 13.387 3.879 1.00 0.00 C ATOM 948 CG GLN A 62 3.192 14.226 5.083 1.00 0.00 C ATOM 949 CD GLN A 62 2.111 13.572 5.921 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.042 13.227 5.416 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.384 13.397 7.208 1.00 0.00 N ATOM 0 H GLN A 62 5.648 12.412 5.047 1.00 0.00 H new ATOM 0 HA GLN A 62 2.885 11.514 4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.508 13.788 3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.817 13.477 3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.071 14.401 5.703 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.842 15.201 4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.283 13.698 7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.695 12.961 7.821 1.00 0.00 H new ATOM 960 N ASP A 63 5.314 10.677 2.772 1.00 0.00 N ATOM 961 CA ASP A 63 5.710 9.914 1.593 1.00 0.00 C ATOM 962 C ASP A 63 5.683 8.417 1.880 1.00 0.00 C ATOM 963 O ASP A 63 5.711 7.600 0.961 1.00 0.00 O ATOM 964 CB ASP A 63 7.108 10.334 1.134 1.00 0.00 C ATOM 965 CG ASP A 63 8.205 9.599 1.878 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.282 8.359 1.748 1.00 0.00 O ATOM 967 OD2 ASP A 63 8.987 10.263 2.591 1.00 0.00 O ATOM 0 H ASP A 63 6.063 10.829 3.447 1.00 0.00 H new ATOM 0 HA ASP A 63 4.996 10.125 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.208 10.146 0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.229 11.407 1.281 1.00 0.00 H new ATOM 972 N GLN A 64 5.631 8.065 3.161 1.00 0.00 N ATOM 973 CA GLN A 64 5.603 6.666 3.568 1.00 0.00 C ATOM 974 C GLN A 64 4.169 6.152 3.656 1.00 0.00 C ATOM 975 O GLN A 64 3.300 6.807 4.233 1.00 0.00 O ATOM 976 CB GLN A 64 6.303 6.490 4.917 1.00 0.00 C ATOM 977 CG GLN A 64 7.815 6.626 4.839 1.00 0.00 C ATOM 978 CD GLN A 64 8.506 5.305 4.569 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.384 4.813 3.341 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.143 4.731 5.452 1.00 0.00 N flip ATOM 0 H GLN A 64 5.607 8.730 3.934 1.00 0.00 H new ATOM 0 HA GLN A 64 6.133 6.085 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.915 7.230 5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.055 5.508 5.321 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.072 7.334 4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.187 7.042 5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.211 5.144 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.602 3.842 5.254 1.00 0.00 H new ATOM 989 N ILE A 65 3.929 4.980 3.081 1.00 0.00 N ATOM 990 CA ILE A 65 2.600 4.380 3.096 1.00 0.00 C ATOM 991 C ILE A 65 2.585 3.098 3.921 1.00 0.00 C ATOM 992 O ILE A 65 3.275 2.130 3.600 1.00 0.00 O ATOM 993 CB ILE A 65 2.110 4.064 1.671 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.323 5.272 0.755 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.642 3.663 1.692 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.154 4.954 -0.714 1.00 0.00 C ATOM 0 H ILE A 65 4.637 4.426 2.599 1.00 0.00 H new ATOM 0 HA ILE A 65 1.929 5.110 3.550 1.00 0.00 H new ATOM 0 HB ILE A 65 2.690 3.228 1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.619 6.056 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.324 5.670 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.310 3.443 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.516 2.778 2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.047 4.481 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.319 5.856 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.876 4.192 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.144 4.584 -0.892 1.00 0.00 H new ATOM 1008 N THR A 66 1.792 3.097 4.988 1.00 0.00 N ATOM 1009 CA THR A 66 1.685 1.935 5.861 1.00 0.00 C ATOM 1010 C THR A 66 0.723 0.902 5.286 1.00 0.00 C ATOM 1011 O THR A 66 -0.299 1.253 4.696 1.00 0.00 O ATOM 1012 CB THR A 66 1.210 2.333 7.271 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.673 3.650 7.591 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.717 1.345 8.311 1.00 0.00 C ATOM 0 H THR A 66 1.214 3.889 5.268 1.00 0.00 H new ATOM 0 HA THR A 66 2.682 1.500 5.931 1.00 0.00 H new ATOM 0 HB THR A 66 0.120 2.320 7.281 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.365 3.896 8.488 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.369 1.646 9.299 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.339 0.349 8.081 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.807 1.331 8.299 1.00 0.00 H new ATOM 1022 N ILE A 67 1.057 -0.372 5.461 1.00 0.00 N ATOM 1023 CA ILE A 67 0.219 -1.456 4.960 1.00 0.00 C ATOM 1024 C ILE A 67 0.302 -2.679 5.867 1.00 0.00 C ATOM 1025 O ILE A 67 1.376 -3.252 6.059 1.00 0.00 O ATOM 1026 CB ILE A 67 0.621 -1.863 3.530 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.569 -0.651 2.599 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.288 -2.970 3.020 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.018 -0.954 1.186 1.00 0.00 C ATOM 0 H ILE A 67 1.901 -0.679 5.945 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.805 -1.084 4.949 1.00 0.00 H new ATOM 0 HB ILE A 67 1.644 -2.240 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.451 -0.267 2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.197 0.139 3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.008 -3.247 2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.205 -3.839 3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.320 -2.619 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.955 -0.049 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.048 -1.310 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.375 -1.722 0.757 1.00 0.00 H new ATOM 1041 N THR A 68 -0.838 -3.077 6.422 1.00 0.00 N ATOM 1042 CA THR A 68 -0.894 -4.232 7.308 1.00 0.00 C ATOM 1043 C THR A 68 -1.477 -5.445 6.593 1.00 0.00 C ATOM 1044 O THR A 68 -2.326 -5.310 5.713 1.00 0.00 O ATOM 1045 CB THR A 68 -1.737 -3.937 8.564 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.457 -2.616 9.042 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.449 -4.951 9.660 1.00 0.00 C ATOM 0 H THR A 68 -1.736 -2.616 6.273 1.00 0.00 H new ATOM 0 HA THR A 68 0.131 -4.449 7.610 1.00 0.00 H new ATOM 0 HB THR A 68 -2.790 -4.009 8.293 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.998 -2.435 9.839 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.056 -4.722 10.536 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.691 -5.952 9.302 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.393 -4.907 9.928 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.016 -6.631 6.978 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.504 -7.853 6.363 1.00 0.00 C ATOM 1057 C GLY A 69 -0.405 -8.876 6.155 1.00 0.00 C ATOM 1058 O GLY A 69 0.742 -8.654 6.546 1.00 0.00 O ATOM 0 H GLY A 69 -0.313 -6.768 7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.284 -8.285 6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.961 -7.615 5.403 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.755 -10.001 5.541 1.00 0.00 N ATOM 1063 CA TYR A 70 0.210 -11.064 5.287 1.00 0.00 C ATOM 1064 C TYR A 70 1.395 -10.543 4.481 1.00 0.00 C ATOM 1065 O TYR A 70 1.240 -10.097 3.345 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.459 -12.220 4.541 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.639 -12.814 5.276 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -1.646 -12.900 6.663 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.748 -13.288 4.584 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -2.722 -13.443 7.339 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -3.828 -13.829 5.252 1.00 0.00 C ATOM 1072 CZ TYR A 70 -3.811 -13.906 6.629 1.00 0.00 C ATOM 1073 OH TYR A 70 -4.885 -14.445 7.299 1.00 0.00 O ATOM 0 H TYR A 70 -1.699 -10.200 5.210 1.00 0.00 H new ATOM 0 HA TYR A 70 0.578 -11.424 6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.790 -11.867 3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.279 -13.002 4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.796 -12.536 7.222 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.765 -13.232 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.711 -13.505 8.417 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.682 -14.190 4.699 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.568 -14.722 6.653 1.00 0.00 H new ATOM 1083 N GLU A 71 2.581 -10.603 5.080 1.00 0.00 N ATOM 1084 CA GLU A 71 3.794 -10.137 4.419 1.00 0.00 C ATOM 1085 C GLU A 71 3.736 -10.410 2.919 1.00 0.00 C ATOM 1086 O GLU A 71 4.264 -9.642 2.114 1.00 0.00 O ATOM 1087 CB GLU A 71 5.025 -10.815 5.025 1.00 0.00 C ATOM 1088 CG GLU A 71 6.295 -10.605 4.218 1.00 0.00 C ATOM 1089 CD GLU A 71 7.530 -11.123 4.929 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.817 -10.644 6.046 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.210 -12.009 4.368 1.00 0.00 O ATOM 0 H GLU A 71 2.727 -10.969 6.021 1.00 0.00 H new ATOM 0 HA GLU A 71 3.869 -9.060 4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.179 -10.434 6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.834 -11.884 5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.197 -11.107 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.418 -9.542 4.011 1.00 0.00 H new ATOM 1098 N LYS A 72 3.091 -11.512 2.550 1.00 0.00 N ATOM 1099 CA LYS A 72 2.962 -11.888 1.147 1.00 0.00 C ATOM 1100 C LYS A 72 1.953 -10.993 0.434 1.00 0.00 C ATOM 1101 O LYS A 72 2.303 -10.267 -0.495 1.00 0.00 O ATOM 1102 CB LYS A 72 2.534 -13.353 1.028 1.00 0.00 C ATOM 1103 CG LYS A 72 3.591 -14.335 1.499 1.00 0.00 C ATOM 1104 CD LYS A 72 4.641 -14.580 0.428 1.00 0.00 C ATOM 1105 CE LYS A 72 5.589 -15.702 0.823 1.00 0.00 C ATOM 1106 NZ LYS A 72 5.093 -17.032 0.369 1.00 0.00 N ATOM 0 H LYS A 72 2.650 -12.160 3.203 1.00 0.00 H new ATOM 0 HA LYS A 72 3.934 -11.760 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.624 -13.505 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.288 -13.568 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.071 -13.951 2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.118 -15.279 1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.151 -14.831 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.209 -13.665 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.573 -15.515 0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.711 -15.710 1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.766 -17.770 0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.166 -17.222 0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.001 -17.033 -0.667 1.00 0.00 H new ATOM 1120 N ASN A 73 0.701 -11.050 0.876 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.358 -10.244 0.280 1.00 0.00 C ATOM 1122 C ASN A 73 0.050 -8.775 0.211 1.00 0.00 C ATOM 1123 O ASN A 73 0.093 -8.181 -0.867 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.651 -10.388 1.085 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.441 -11.622 0.693 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -2.208 -12.214 -0.362 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.384 -12.016 1.541 1.00 0.00 N ATOM 0 H ASN A 73 0.395 -11.646 1.645 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.527 -10.604 -0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.411 -10.436 2.147 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.269 -9.502 0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.949 -12.839 1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.543 -11.496 2.404 1.00 0.00 H new ATOM 1134 N THR A 74 0.351 -8.196 1.369 1.00 0.00 N ATOM 1135 CA THR A 74 0.755 -6.797 1.441 1.00 0.00 C ATOM 1136 C THR A 74 1.662 -6.426 0.274 1.00 0.00 C ATOM 1137 O THR A 74 1.355 -5.518 -0.497 1.00 0.00 O ATOM 1138 CB THR A 74 1.486 -6.491 2.762 1.00 0.00 C ATOM 1139 OG1 THR A 74 2.606 -7.369 2.917 1.00 0.00 O ATOM 1140 CG2 THR A 74 0.546 -6.645 3.948 1.00 0.00 C ATOM 0 H THR A 74 0.323 -8.674 2.270 1.00 0.00 H new ATOM 0 HA THR A 74 -0.157 -6.202 1.392 1.00 0.00 H new ATOM 0 HB THR A 74 1.836 -5.459 2.728 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.949 -7.303 3.832 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.084 -6.424 4.870 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.290 -5.954 3.841 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.170 -7.667 3.984 1.00 0.00 H new ATOM 1148 N GLU A 75 2.779 -7.135 0.150 1.00 0.00 N ATOM 1149 CA GLU A 75 3.730 -6.879 -0.926 1.00 0.00 C ATOM 1150 C GLU A 75 3.027 -6.851 -2.280 1.00 0.00 C ATOM 1151 O GLU A 75 3.353 -6.038 -3.143 1.00 0.00 O ATOM 1152 CB GLU A 75 4.827 -7.945 -0.931 1.00 0.00 C ATOM 1153 CG GLU A 75 5.849 -7.773 0.181 1.00 0.00 C ATOM 1154 CD GLU A 75 6.928 -6.766 -0.169 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.153 -6.533 -1.375 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.547 -6.213 0.764 1.00 0.00 O ATOM 0 H GLU A 75 3.048 -7.890 0.780 1.00 0.00 H new ATOM 0 HA GLU A 75 4.182 -5.903 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.366 -8.929 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.341 -7.921 -1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.340 -7.454 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.312 -8.736 0.396 1.00 0.00 H new ATOM 1163 N ALA A 76 2.061 -7.746 -2.456 1.00 0.00 N ATOM 1164 CA ALA A 76 1.310 -7.824 -3.703 1.00 0.00 C ATOM 1165 C ALA A 76 0.509 -6.549 -3.943 1.00 0.00 C ATOM 1166 O ALA A 76 0.196 -6.205 -5.082 1.00 0.00 O ATOM 1167 CB ALA A 76 0.388 -9.034 -3.689 1.00 0.00 C ATOM 0 H ALA A 76 1.780 -8.427 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 76 2.022 -7.933 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.167 -9.080 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.980 -9.942 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.311 -8.949 -2.857 1.00 0.00 H new ATOM 1173 N ALA A 77 0.180 -5.850 -2.860 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.583 -4.612 -2.953 1.00 0.00 C ATOM 1175 C ALA A 77 0.340 -3.399 -2.993 1.00 0.00 C ATOM 1176 O ALA A 77 0.005 -2.371 -3.581 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.553 -4.501 -1.786 1.00 0.00 C ATOM 0 H ALA A 77 0.430 -6.121 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.151 -4.634 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.116 -3.571 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.242 -5.346 -1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.997 -4.506 -0.849 1.00 0.00 H new ATOM 1183 N ARG A 78 1.504 -3.527 -2.365 1.00 0.00 N ATOM 1184 CA ARG A 78 2.475 -2.440 -2.328 1.00 0.00 C ATOM 1185 C ARG A 78 3.119 -2.239 -3.696 1.00 0.00 C ATOM 1186 O ARG A 78 3.618 -1.157 -4.006 1.00 0.00 O ATOM 1187 CB ARG A 78 3.554 -2.727 -1.281 1.00 0.00 C ATOM 1188 CG ARG A 78 4.746 -3.494 -1.832 1.00 0.00 C ATOM 1189 CD ARG A 78 5.819 -2.553 -2.357 1.00 0.00 C ATOM 1190 NE ARG A 78 6.617 -3.169 -3.414 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.855 -2.791 -3.715 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.433 -1.806 -3.043 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.517 -3.400 -4.690 1.00 0.00 N ATOM 0 H ARG A 78 1.798 -4.372 -1.875 1.00 0.00 H new ATOM 0 HA ARG A 78 1.948 -1.525 -2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.902 -1.783 -0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.113 -3.296 -0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.166 -4.127 -1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.416 -4.155 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.351 -1.646 -2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.472 -2.254 -1.537 1.00 0.00 H new ATOM 0 HE ARG A 78 6.201 -3.931 -3.950 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.928 -1.336 -2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.383 -1.518 -3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.076 -4.159 -5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.467 -3.109 -4.920 1.00 0.00 H new ATOM 1207 N ASP A 79 3.104 -3.287 -4.511 1.00 0.00 N ATOM 1208 CA ASP A 79 3.685 -3.227 -5.847 1.00 0.00 C ATOM 1209 C ASP A 79 2.847 -2.343 -6.765 1.00 0.00 C ATOM 1210 O ASP A 79 3.360 -1.756 -7.717 1.00 0.00 O ATOM 1211 CB ASP A 79 3.804 -4.631 -6.440 1.00 0.00 C ATOM 1212 CG ASP A 79 4.684 -4.667 -7.674 1.00 0.00 C ATOM 1213 OD1 ASP A 79 5.840 -4.203 -7.591 1.00 0.00 O ATOM 1214 OD2 ASP A 79 4.216 -5.158 -8.723 1.00 0.00 O ATOM 0 H ASP A 79 2.695 -4.190 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 79 4.681 -2.792 -5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.211 -5.306 -5.688 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.810 -5.000 -6.695 1.00 0.00 H new ATOM 1219 N ALA A 80 1.553 -2.254 -6.472 1.00 0.00 N ATOM 1220 CA ALA A 80 0.643 -1.442 -7.270 1.00 0.00 C ATOM 1221 C ALA A 80 0.868 0.045 -7.015 1.00 0.00 C ATOM 1222 O ALA A 80 1.004 0.832 -7.952 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.800 -1.819 -6.972 1.00 0.00 C ATOM 0 H ALA A 80 1.112 -2.734 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 80 0.847 -1.638 -8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.469 -1.205 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.958 -2.870 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.009 -1.653 -5.915 1.00 0.00 H new ATOM 1229 N ILE A 81 0.903 0.423 -5.742 1.00 0.00 N ATOM 1230 CA ILE A 81 1.110 1.815 -5.364 1.00 0.00 C ATOM 1231 C ILE A 81 2.281 2.423 -6.128 1.00 0.00 C ATOM 1232 O ILE A 81 2.258 3.601 -6.490 1.00 0.00 O ATOM 1233 CB ILE A 81 1.369 1.956 -3.852 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.200 1.374 -3.055 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.591 3.417 -3.487 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.565 0.991 -1.639 1.00 0.00 C ATOM 0 H ILE A 81 0.791 -0.216 -4.955 1.00 0.00 H new ATOM 0 HA ILE A 81 0.195 2.351 -5.619 1.00 0.00 H new ATOM 0 HB ILE A 81 2.270 1.397 -3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.610 2.103 -3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.181 0.494 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.773 3.501 -2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.453 3.801 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.706 3.997 -3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.312 0.586 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.353 0.238 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.917 1.872 -1.103 1.00 0.00 H new ATOM 1248 N LEU A 82 3.306 1.614 -6.372 1.00 0.00 N ATOM 1249 CA LEU A 82 4.487 2.071 -7.095 1.00 0.00 C ATOM 1250 C LEU A 82 4.234 2.081 -8.600 1.00 0.00 C ATOM 1251 O LEU A 82 4.387 3.111 -9.257 1.00 0.00 O ATOM 1252 CB LEU A 82 5.685 1.174 -6.774 1.00 0.00 C ATOM 1253 CG LEU A 82 5.973 0.946 -5.290 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.101 -0.059 -5.114 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.318 2.261 -4.606 1.00 0.00 C ATOM 0 H LEU A 82 3.343 0.638 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 82 4.707 3.089 -6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.524 0.205 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.573 1.609 -7.233 1.00 0.00 H new ATOM 0 HG LEU A 82 5.075 0.540 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.292 -0.209 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.817 -1.008 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.003 0.319 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.520 2.080 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.201 2.695 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.480 2.952 -4.702 1.00 0.00 H new ATOM 1267 N ARG A 83 3.844 0.930 -9.137 1.00 0.00 N ATOM 1268 CA ARG A 83 3.569 0.807 -10.563 1.00 0.00 C ATOM 1269 C ARG A 83 2.882 2.063 -11.094 1.00 0.00 C ATOM 1270 O ARG A 83 3.110 2.472 -12.233 1.00 0.00 O ATOM 1271 CB ARG A 83 2.693 -0.418 -10.832 1.00 0.00 C ATOM 1272 CG ARG A 83 2.788 -0.933 -12.259 1.00 0.00 C ATOM 1273 CD ARG A 83 2.139 -2.301 -12.402 1.00 0.00 C ATOM 1274 NE ARG A 83 1.657 -2.540 -13.759 1.00 0.00 N ATOM 1275 CZ ARG A 83 1.065 -3.666 -14.142 1.00 0.00 C ATOM 1276 NH1 ARG A 83 0.881 -4.650 -13.272 1.00 0.00 N ATOM 1277 NH2 ARG A 83 0.654 -3.808 -15.396 1.00 0.00 N ATOM 0 H ARG A 83 3.711 0.069 -8.606 1.00 0.00 H new ATOM 0 HA ARG A 83 4.520 0.686 -11.082 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.979 -1.216 -10.147 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.655 -0.167 -10.614 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.305 -0.227 -12.935 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.835 -0.993 -12.556 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.859 -3.074 -12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.307 -2.382 -11.702 1.00 0.00 H new ATOM 0 HE ARG A 83 1.782 -1.802 -14.452 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.194 -4.543 -12.307 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.426 -5.514 -13.568 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.793 -3.052 -16.067 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.200 -4.673 -15.689 1.00 0.00 H new ATOM 1291 N ILE A 84 2.043 2.668 -10.262 1.00 0.00 N ATOM 1292 CA ILE A 84 1.324 3.877 -10.648 1.00 0.00 C ATOM 1293 C ILE A 84 2.258 5.083 -10.687 1.00 0.00 C ATOM 1294 O ILE A 84 2.410 5.729 -11.724 1.00 0.00 O ATOM 1295 CB ILE A 84 0.162 4.173 -9.682 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.730 2.939 -9.529 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.648 5.362 -10.177 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.462 2.884 -8.206 1.00 0.00 C ATOM 0 H ILE A 84 1.843 2.342 -9.316 1.00 0.00 H new ATOM 0 HA ILE A 84 0.921 3.700 -11.645 1.00 0.00 H new ATOM 0 HB ILE A 84 0.575 4.422 -8.705 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.459 2.925 -10.339 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.118 2.043 -9.634 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.466 5.559 -9.484 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.005 6.240 -10.239 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.054 5.140 -11.164 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.075 1.984 -8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.739 2.867 -7.391 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.100 3.762 -8.107 1.00 0.00 H new ATOM 1310 N VAL A 85 2.882 5.378 -9.551 1.00 0.00 N ATOM 1311 CA VAL A 85 3.803 6.505 -9.457 1.00 0.00 C ATOM 1312 C VAL A 85 4.563 6.704 -10.763 1.00 0.00 C ATOM 1313 O VAL A 85 4.482 7.763 -11.385 1.00 0.00 O ATOM 1314 CB VAL A 85 4.814 6.307 -8.312 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.949 7.313 -8.422 1.00 0.00 C ATOM 1316 CG2 VAL A 85 4.120 6.419 -6.963 1.00 0.00 C ATOM 0 H VAL A 85 2.767 4.853 -8.684 1.00 0.00 H new ATOM 0 HA VAL A 85 3.201 7.391 -9.252 1.00 0.00 H new ATOM 0 HB VAL A 85 5.238 5.306 -8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.653 7.158 -7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.463 7.179 -9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.546 8.324 -8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.849 6.276 -6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.667 7.406 -6.868 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.346 5.655 -6.887 1.00 0.00 H new ATOM 1326 N GLY A 86 5.302 5.678 -11.174 1.00 0.00 N ATOM 1327 CA GLY A 86 6.066 5.760 -12.405 1.00 0.00 C ATOM 1328 C GLY A 86 5.315 6.481 -13.507 1.00 0.00 C ATOM 1329 O GLY A 86 5.804 7.468 -14.057 1.00 0.00 O ATOM 0 H GLY A 86 5.385 4.792 -10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.006 6.277 -12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.319 4.754 -12.740 1.00 0.00 H new ATOM 1333 N GLU A 87 4.124 5.987 -13.831 1.00 0.00 N ATOM 1334 CA GLU A 87 3.306 6.590 -14.876 1.00 0.00 C ATOM 1335 C GLU A 87 2.993 8.048 -14.548 1.00 0.00 C ATOM 1336 O GLU A 87 3.324 8.954 -15.315 1.00 0.00 O ATOM 1337 CB GLU A 87 2.005 5.806 -15.054 1.00 0.00 C ATOM 1338 CG GLU A 87 2.132 4.331 -14.710 1.00 0.00 C ATOM 1339 CD GLU A 87 3.400 3.710 -15.266 1.00 0.00 C ATOM 1340 OE1 GLU A 87 3.630 3.828 -16.488 1.00 0.00 O ATOM 1341 OE2 GLU A 87 4.160 3.106 -14.481 1.00 0.00 O ATOM 0 H GLU A 87 3.705 5.171 -13.385 1.00 0.00 H new ATOM 0 HA GLU A 87 3.871 6.557 -15.808 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.233 6.252 -14.427 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.671 5.902 -16.087 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.118 4.212 -13.627 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.267 3.795 -15.101 1.00 0.00 H new ATOM 1348 N LEU A 88 2.351 8.267 -13.406 1.00 0.00 N ATOM 1349 CA LEU A 88 1.991 9.614 -12.976 1.00 0.00 C ATOM 1350 C LEU A 88 3.067 10.618 -13.376 1.00 0.00 C ATOM 1351 O LEU A 88 2.762 11.716 -13.840 1.00 0.00 O ATOM 1352 CB LEU A 88 1.782 9.648 -11.461 1.00 0.00 C ATOM 1353 CG LEU A 88 0.886 8.552 -10.882 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.782 8.690 -9.371 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.494 8.600 -11.520 1.00 0.00 C ATOM 0 H LEU A 88 2.069 7.529 -12.761 1.00 0.00 H new ATOM 0 HA LEU A 88 1.060 9.891 -13.471 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.757 9.585 -10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.357 10.616 -11.195 1.00 0.00 H new ATOM 0 HG LEU A 88 1.335 7.585 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.141 7.902 -8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.775 8.605 -8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.356 9.662 -9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.118 7.813 -11.096 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.951 9.570 -11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.403 8.451 -12.596 1.00 0.00 H new ATOM 1367 N GLU A 89 4.326 10.233 -13.192 1.00 0.00 N ATOM 1368 CA GLU A 89 5.448 11.100 -13.534 1.00 0.00 C ATOM 1369 C GLU A 89 5.423 11.460 -15.018 1.00 0.00 C ATOM 1370 O GLU A 89 5.410 12.637 -15.381 1.00 0.00 O ATOM 1371 CB GLU A 89 6.773 10.421 -13.185 1.00 0.00 C ATOM 1372 CG GLU A 89 7.247 10.704 -11.770 1.00 0.00 C ATOM 1373 CD GLU A 89 8.669 10.236 -11.526 1.00 0.00 C ATOM 1374 OE1 GLU A 89 8.890 9.007 -11.494 1.00 0.00 O ATOM 1375 OE2 GLU A 89 9.559 11.097 -11.367 1.00 0.00 O ATOM 0 H GLU A 89 4.595 9.327 -12.808 1.00 0.00 H new ATOM 0 HA GLU A 89 5.356 12.017 -12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.665 9.344 -13.315 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.537 10.752 -13.888 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.183 11.775 -11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.580 10.212 -11.062 1.00 0.00 H new ATOM 1382 N GLN A 90 5.419 10.440 -15.868 1.00 0.00 N ATOM 1383 CA GLN A 90 5.397 10.647 -17.311 1.00 0.00 C ATOM 1384 C GLN A 90 4.445 11.779 -17.684 1.00 0.00 C ATOM 1385 O GLN A 90 4.813 12.696 -18.418 1.00 0.00 O ATOM 1386 CB GLN A 90 4.985 9.360 -18.027 1.00 0.00 C ATOM 1387 CG GLN A 90 6.138 8.399 -18.264 1.00 0.00 C ATOM 1388 CD GLN A 90 5.796 7.313 -19.265 1.00 0.00 C ATOM 1389 OE1 GLN A 90 4.882 6.517 -19.047 1.00 0.00 O ATOM 1390 NE2 GLN A 90 6.529 7.274 -20.372 1.00 0.00 N ATOM 0 H GLN A 90 5.431 9.461 -15.583 1.00 0.00 H new ATOM 0 HA GLN A 90 6.403 10.923 -17.628 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.218 8.856 -17.438 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.534 9.616 -18.986 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.004 8.957 -18.621 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.423 7.939 -17.318 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.277 7.953 -20.513 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.344 6.565 -21.082 1.00 0.00 H new ATOM 1399 N MET A 91 3.220 11.706 -17.174 1.00 0.00 N ATOM 1400 CA MET A 91 2.217 12.726 -17.454 1.00 0.00 C ATOM 1401 C MET A 91 2.770 14.122 -17.188 1.00 0.00 C ATOM 1402 O MET A 91 2.994 14.503 -16.038 1.00 0.00 O ATOM 1403 CB MET A 91 0.967 12.490 -16.602 1.00 0.00 C ATOM 1404 CG MET A 91 0.342 11.119 -16.808 1.00 0.00 C ATOM 1405 SD MET A 91 -1.037 10.809 -15.688 1.00 0.00 S ATOM 1406 CE MET A 91 -2.426 11.235 -16.736 1.00 0.00 C ATOM 0 H MET A 91 2.899 10.953 -16.566 1.00 0.00 H new ATOM 0 HA MET A 91 1.949 12.656 -18.508 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.227 12.608 -15.550 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.228 13.256 -16.836 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.005 11.033 -17.838 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.102 10.352 -16.663 1.00 0.00 H new ATOM 0 HE1 MET A 91 -3.355 11.095 -16.184 1.00 0.00 H new ATOM 0 HE2 MET A 91 -2.342 12.277 -17.046 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.427 10.593 -17.617 1.00 0.00 H new ATOM 1416 N SER A 92 2.989 14.882 -18.257 1.00 0.00 N ATOM 1417 CA SER A 92 3.519 16.234 -18.138 1.00 0.00 C ATOM 1418 C SER A 92 2.789 17.189 -19.076 1.00 0.00 C ATOM 1419 O SER A 92 2.897 17.081 -20.298 1.00 0.00 O ATOM 1420 CB SER A 92 5.018 16.245 -18.446 1.00 0.00 C ATOM 1421 OG SER A 92 5.267 15.836 -19.780 1.00 0.00 O ATOM 0 H SER A 92 2.807 14.583 -19.215 1.00 0.00 H new ATOM 0 HA SER A 92 3.363 16.570 -17.113 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.418 17.247 -18.289 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.539 15.582 -17.756 1.00 0.00 H new ATOM 0 HG SER A 92 4.485 16.037 -20.335 1.00 0.00 H new ATOM 1427 N GLY A 93 2.043 18.126 -18.496 1.00 0.00 N ATOM 1428 CA GLY A 93 1.306 19.086 -19.294 1.00 0.00 C ATOM 1429 C GLY A 93 -0.124 18.652 -19.550 1.00 0.00 C ATOM 1430 O GLY A 93 -0.669 17.797 -18.852 1.00 0.00 O ATOM 0 H GLY A 93 1.937 18.236 -17.488 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.304 20.051 -18.786 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.815 19.228 -20.247 1.00 0.00 H new ATOM 1434 N PRO A 94 -0.756 19.249 -20.571 1.00 0.00 N ATOM 1435 CA PRO A 94 -2.139 18.935 -20.939 1.00 0.00 C ATOM 1436 C PRO A 94 -2.277 17.542 -21.542 1.00 0.00 C ATOM 1437 O PRO A 94 -3.373 16.984 -21.595 1.00 0.00 O ATOM 1438 CB PRO A 94 -2.481 20.004 -21.980 1.00 0.00 C ATOM 1439 CG PRO A 94 -1.167 20.400 -22.562 1.00 0.00 C ATOM 1440 CD PRO A 94 -0.167 20.278 -21.446 1.00 0.00 C ATOM 0 HA PRO A 94 -2.801 18.936 -20.073 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.151 19.612 -22.745 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.984 20.856 -21.522 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.900 19.754 -23.398 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.201 21.420 -22.946 1.00 0.00 H new ATOM 0 HD2 PRO A 94 0.813 19.978 -21.816 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -0.034 21.224 -20.921 1.00 0.00 H new ATOM 1448 N SER A 95 -1.158 16.984 -21.993 1.00 0.00 N ATOM 1449 CA SER A 95 -1.155 15.656 -22.595 1.00 0.00 C ATOM 1450 C SER A 95 -1.773 14.630 -21.650 1.00 0.00 C ATOM 1451 O SER A 95 -1.595 14.703 -20.434 1.00 0.00 O ATOM 1452 CB SER A 95 0.272 15.240 -22.956 1.00 0.00 C ATOM 1453 OG SER A 95 0.895 16.213 -23.776 1.00 0.00 O ATOM 0 H SER A 95 -0.242 17.431 -21.953 1.00 0.00 H new ATOM 0 HA SER A 95 -1.755 15.694 -23.504 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.855 15.100 -22.045 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.255 14.281 -23.474 1.00 0.00 H new ATOM 0 HG SER A 95 1.806 15.924 -23.991 1.00 0.00 H new ATOM 1459 N SER A 96 -2.500 13.674 -22.219 1.00 0.00 N ATOM 1460 CA SER A 96 -3.148 12.634 -21.428 1.00 0.00 C ATOM 1461 C SER A 96 -2.336 11.342 -21.459 1.00 0.00 C ATOM 1462 O SER A 96 -1.535 11.121 -22.366 1.00 0.00 O ATOM 1463 CB SER A 96 -4.562 12.373 -21.950 1.00 0.00 C ATOM 1464 OG SER A 96 -4.531 11.645 -23.166 1.00 0.00 O ATOM 0 H SER A 96 -2.655 13.598 -23.224 1.00 0.00 H new ATOM 0 HA SER A 96 -3.207 12.981 -20.396 1.00 0.00 H new ATOM 0 HB2 SER A 96 -5.131 11.818 -21.205 1.00 0.00 H new ATOM 0 HB3 SER A 96 -5.077 13.321 -22.103 1.00 0.00 H new ATOM 0 HG SER A 96 -5.447 11.490 -23.478 1.00 0.00 H new ATOM 1470 N GLY A 97 -2.550 10.492 -20.459 1.00 0.00 N ATOM 1471 CA GLY A 97 -1.831 9.234 -20.389 1.00 0.00 C ATOM 1472 C GLY A 97 -2.426 8.175 -21.296 1.00 0.00 C ATOM 1473 O GLY A 97 -3.492 8.375 -21.878 1.00 0.00 O ATOM 0 H GLY A 97 -3.208 10.653 -19.697 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.789 9.399 -20.663 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.837 8.872 -19.361 1.00 0.00 H new TER 1477 GLY A 97