USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1089 hydrogens (41 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 124 ASN : amide:sc= -0.561 K(o=-1.9,f=-3!) USER MOD Set 1.2: A 125 ASN : amide:sc= -1.36 K(o=-1.9,f=-5.2!) USER MOD Set 1.3: A 126 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 29 TYR OH : rot 164:sc= 1.04 USER MOD Set 2.2: A 97 THR OG1 : rot 129:sc= 1.01 USER MOD Single : A 6 SER OG : rot 180:sc= -0.041 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.724 X(o=-0.72,f=-0.72) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-6.8!) USER MOD Single : A 38 SER OG : rot 87:sc= 0.00522 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 170:sc= 0.569 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.334 USER MOD Single : A 59 GLN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -170:sc= -0.822 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0777 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.746 USER MOD Single : A 80 ASN : amide:sc= -0.361 K(o=-0.36,f=-1.8!) USER MOD Single : A 81 THR OG1 : rot 71:sc= 0.0938 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 78:sc= -0.809 USER MOD Single : A 89 HIS : no HE2:sc= -0.727 K(o=0.0079,f=-4.6!) USER MOD Single : A 90 GLN : amide:sc= -0.08 X(o=-0.08,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.38) USER MOD Single : A 109 ASN : amide:sc= -0.085 K(o=-0.085,f=-1.8!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0385) USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0.637 K(o=0.64,f=-3.8!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 8SP OXT : rot 167:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 10.929 7.221 -8.804 1.00 13.00 N ATOM 2 CA GLY A 2 11.619 5.949 -8.713 1.00 45.03 C ATOM 3 C GLY A 2 10.742 4.782 -9.120 1.00 72.34 C ATOM 4 O GLY A 2 10.616 4.475 -10.306 1.00 22.10 O ATOM 0 HA2 GLY A 2 12.504 5.973 -9.349 1.00 45.03 H new ATOM 0 HA3 GLY A 2 11.965 5.800 -7.690 1.00 45.03 H new ATOM 8 N ALA A 3 10.133 4.129 -8.135 1.00 51.34 N ATOM 9 CA ALA A 3 9.262 2.990 -8.397 1.00 4.21 C ATOM 10 C ALA A 3 8.551 2.540 -7.126 1.00 74.51 C ATOM 11 O ALA A 3 8.947 2.905 -6.019 1.00 35.40 O ATOM 12 CB ALA A 3 10.062 1.840 -8.993 1.00 5.44 C ATOM 0 H ALA A 3 10.227 4.370 -7.148 1.00 51.34 H new ATOM 0 HA ALA A 3 8.504 3.301 -9.116 1.00 4.21 H new ATOM 0 HB1 ALA A 3 9.399 0.996 -9.184 1.00 5.44 H new ATOM 0 HB2 ALA A 3 10.519 2.161 -9.929 1.00 5.44 H new ATOM 0 HB3 ALA A 3 10.842 1.538 -8.294 1.00 5.44 H new ATOM 18 N ARG A 4 7.499 1.745 -7.292 1.00 52.04 N ATOM 19 CA ARG A 4 6.730 1.246 -6.158 1.00 62.21 C ATOM 20 C ARG A 4 5.795 0.120 -6.588 1.00 63.22 C ATOM 21 O ARG A 4 5.389 0.045 -7.748 1.00 21.35 O ATOM 22 CB ARG A 4 5.923 2.380 -5.524 1.00 70.43 C ATOM 23 CG ARG A 4 4.928 3.025 -6.475 1.00 73.21 C ATOM 24 CD ARG A 4 4.381 4.327 -5.911 1.00 64.23 C ATOM 25 NE ARG A 4 3.635 5.085 -6.910 1.00 12.14 N ATOM 26 CZ ARG A 4 2.974 6.207 -6.640 1.00 72.35 C ATOM 27 NH1 ARG A 4 2.968 6.695 -5.408 1.00 22.15 N1+ ATOM 28 NH2 ARG A 4 2.318 6.840 -7.604 1.00 52.13 N ATOM 0 H ARG A 4 7.159 1.432 -8.202 1.00 52.04 H new ATOM 0 HA ARG A 4 7.430 0.852 -5.422 1.00 62.21 H new ATOM 0 HB2 ARG A 4 5.386 1.993 -4.658 1.00 70.43 H new ATOM 0 HB3 ARG A 4 6.610 3.143 -5.158 1.00 70.43 H new ATOM 0 HG2 ARG A 4 5.411 3.217 -7.433 1.00 73.21 H new ATOM 0 HG3 ARG A 4 4.105 2.336 -6.665 1.00 73.21 H new ATOM 0 HD2 ARG A 4 3.733 4.110 -5.062 1.00 64.23 H new ATOM 0 HD3 ARG A 4 5.205 4.934 -5.536 1.00 64.23 H new ATOM 0 HE ARG A 4 3.620 4.735 -7.868 1.00 12.14 H new ATOM 0 HH11 ARG A 4 3.471 6.210 -4.665 1.00 22.15 H new ATOM 0 HH12 ARG A 4 2.460 7.556 -5.203 1.00 22.15 H new ATOM 0 HH21 ARG A 4 2.320 6.466 -8.553 1.00 52.13 H new ATOM 0 HH22 ARG A 4 1.811 7.700 -7.396 1.00 52.13 H new ATOM 42 N ALA A 5 5.458 -0.755 -5.645 1.00 14.30 N ATOM 43 CA ALA A 5 4.571 -1.876 -5.926 1.00 21.30 C ATOM 44 C ALA A 5 5.114 -2.737 -7.061 1.00 1.34 C ATOM 45 O ALA A 5 4.357 -3.401 -7.769 1.00 22.55 O ATOM 46 CB ALA A 5 3.175 -1.372 -6.265 1.00 70.14 C ATOM 0 H ALA A 5 5.786 -0.708 -4.680 1.00 14.30 H new ATOM 0 HA ALA A 5 4.515 -2.495 -5.031 1.00 21.30 H new ATOM 0 HB1 ALA A 5 2.523 -2.220 -6.473 1.00 70.14 H new ATOM 0 HB2 ALA A 5 2.778 -0.806 -5.422 1.00 70.14 H new ATOM 0 HB3 ALA A 5 3.224 -0.728 -7.143 1.00 70.14 H new ATOM 52 N SER A 6 6.433 -2.720 -7.230 1.00 70.33 N ATOM 53 CA SER A 6 7.078 -3.496 -8.283 1.00 42.14 C ATOM 54 C SER A 6 8.067 -4.496 -7.692 1.00 44.54 C ATOM 55 O SER A 6 8.456 -4.389 -6.529 1.00 63.41 O ATOM 56 CB SER A 6 7.799 -2.567 -9.261 1.00 74.15 C ATOM 57 OG SER A 6 7.455 -1.213 -9.025 1.00 15.30 O ATOM 0 H SER A 6 7.075 -2.178 -6.652 1.00 70.33 H new ATOM 0 HA SER A 6 6.306 -4.048 -8.819 1.00 42.14 H new ATOM 0 HB2 SER A 6 8.877 -2.694 -9.161 1.00 74.15 H new ATOM 0 HB3 SER A 6 7.539 -2.839 -10.284 1.00 74.15 H new ATOM 0 HG SER A 6 7.930 -0.639 -9.662 1.00 15.30 H new ATOM 63 N VAL A 7 8.471 -5.469 -8.503 1.00 63.31 N ATOM 64 CA VAL A 7 9.415 -6.489 -8.062 1.00 44.32 C ATOM 65 C VAL A 7 10.769 -6.316 -8.744 1.00 73.14 C ATOM 66 O VAL A 7 11.756 -5.950 -8.106 1.00 60.43 O ATOM 67 CB VAL A 7 8.886 -7.906 -8.348 1.00 53.40 C ATOM 68 CG1 VAL A 7 9.796 -8.953 -7.725 1.00 61.22 C ATOM 69 CG2 VAL A 7 7.460 -8.055 -7.839 1.00 44.12 C ATOM 0 H VAL A 7 8.159 -5.572 -9.469 1.00 63.31 H new ATOM 0 HA VAL A 7 9.534 -6.365 -6.986 1.00 44.32 H new ATOM 0 HB VAL A 7 8.880 -8.062 -9.427 1.00 53.40 H new ATOM 0 HG11 VAL A 7 9.405 -9.948 -7.938 1.00 61.22 H new ATOM 0 HG12 VAL A 7 10.798 -8.859 -8.143 1.00 61.22 H new ATOM 0 HG13 VAL A 7 9.838 -8.803 -6.646 1.00 61.22 H new ATOM 0 HG21 VAL A 7 7.102 -9.063 -8.050 1.00 44.12 H new ATOM 0 HG22 VAL A 7 7.437 -7.879 -6.764 1.00 44.12 H new ATOM 0 HG23 VAL A 7 6.818 -7.330 -8.339 1.00 44.12 H new ATOM 79 N LEU A 8 10.807 -6.582 -10.045 1.00 51.11 N ATOM 80 CA LEU A 8 12.039 -6.455 -10.816 1.00 52.15 C ATOM 81 C LEU A 8 12.077 -5.129 -11.569 1.00 64.41 C ATOM 82 O LEU A 8 11.175 -4.821 -12.347 1.00 15.10 O ATOM 83 CB LEU A 8 12.168 -7.618 -11.801 1.00 51.45 C ATOM 84 CG LEU A 8 12.431 -8.994 -11.186 1.00 1.50 C ATOM 85 CD1 LEU A 8 12.546 -10.051 -12.274 1.00 25.02 C ATOM 86 CD2 LEU A 8 13.690 -8.964 -10.333 1.00 64.01 C ATOM 0 H LEU A 8 9.999 -6.887 -10.588 1.00 51.11 H new ATOM 0 HA LEU A 8 12.878 -6.480 -10.121 1.00 52.15 H new ATOM 0 HB2 LEU A 8 11.251 -7.674 -12.388 1.00 51.45 H new ATOM 0 HB3 LEU A 8 12.978 -7.392 -12.495 1.00 51.45 H new ATOM 0 HG LEU A 8 11.588 -9.252 -10.545 1.00 1.50 H new ATOM 0 HD11 LEU A 8 12.733 -11.023 -11.818 1.00 25.02 H new ATOM 0 HD12 LEU A 8 11.617 -10.090 -12.843 1.00 25.02 H new ATOM 0 HD13 LEU A 8 13.370 -9.798 -12.941 1.00 25.02 H new ATOM 0 HD21 LEU A 8 13.862 -9.951 -9.903 1.00 64.01 H new ATOM 0 HD22 LEU A 8 14.542 -8.684 -10.952 1.00 64.01 H new ATOM 0 HD23 LEU A 8 13.569 -8.235 -9.531 1.00 64.01 H new ATOM 98 N SER A 9 13.127 -4.350 -11.332 1.00 62.41 N ATOM 99 CA SER A 9 13.283 -3.057 -11.986 1.00 34.34 C ATOM 100 C SER A 9 13.633 -3.231 -13.461 1.00 64.34 C ATOM 101 O SER A 9 13.644 -4.347 -13.979 1.00 73.12 O ATOM 102 CB SER A 9 14.366 -2.234 -11.287 1.00 65.41 C ATOM 103 OG SER A 9 15.656 -2.582 -11.760 1.00 73.40 O ATOM 0 H SER A 9 13.883 -4.592 -10.691 1.00 62.41 H new ATOM 0 HA SER A 9 12.333 -2.527 -11.916 1.00 34.34 H new ATOM 0 HB2 SER A 9 14.187 -1.172 -11.457 1.00 65.41 H new ATOM 0 HB3 SER A 9 14.314 -2.398 -10.211 1.00 65.41 H new ATOM 0 HG SER A 9 16.330 -2.041 -11.299 1.00 73.40 H new ATOM 109 N GLY A 10 13.919 -2.119 -14.131 1.00 20.43 N ATOM 110 CA GLY A 10 14.267 -2.171 -15.538 1.00 35.11 C ATOM 111 C GLY A 10 15.438 -3.093 -15.814 1.00 15.32 C ATOM 112 O GLY A 10 15.367 -3.952 -16.690 1.00 51.15 O ATOM 0 H GLY A 10 13.916 -1.184 -13.724 1.00 20.43 H new ATOM 0 HA2 GLY A 10 13.402 -2.506 -16.110 1.00 35.11 H new ATOM 0 HA3 GLY A 10 14.510 -1.167 -15.886 1.00 35.11 H new ATOM 116 N GLY A 11 16.520 -2.912 -15.064 1.00 4.31 N ATOM 117 CA GLY A 11 17.698 -3.740 -15.248 1.00 73.42 C ATOM 118 C GLY A 11 17.421 -5.207 -14.986 1.00 32.11 C ATOM 119 O GLY A 11 17.783 -6.067 -15.789 1.00 34.44 O ATOM 0 H GLY A 11 16.602 -2.207 -14.332 1.00 4.31 H new ATOM 0 HA2 GLY A 11 18.068 -3.619 -16.266 1.00 73.42 H new ATOM 0 HA3 GLY A 11 18.488 -3.397 -14.579 1.00 73.42 H new ATOM 123 N GLU A 12 16.778 -5.494 -13.858 1.00 55.01 N ATOM 124 CA GLU A 12 16.456 -6.869 -13.492 1.00 12.04 C ATOM 125 C GLU A 12 15.539 -7.508 -14.532 1.00 22.33 C ATOM 126 O GLU A 12 15.746 -8.651 -14.941 1.00 5.32 O ATOM 127 CB GLU A 12 15.790 -6.910 -12.115 1.00 70.14 C ATOM 128 CG GLU A 12 16.506 -6.075 -11.067 1.00 44.54 C ATOM 129 CD GLU A 12 15.945 -6.279 -9.674 1.00 62.22 C ATOM 130 OE1 GLU A 12 14.888 -5.689 -9.369 1.00 1.11 O ATOM 131 OE2 GLU A 12 16.561 -7.030 -8.888 1.00 52.50 O1- ATOM 0 H GLU A 12 16.470 -4.794 -13.183 1.00 55.01 H new ATOM 0 HA GLU A 12 17.386 -7.436 -13.455 1.00 12.04 H new ATOM 0 HB2 GLU A 12 14.762 -6.559 -12.207 1.00 70.14 H new ATOM 0 HB3 GLU A 12 15.744 -7.944 -11.774 1.00 70.14 H new ATOM 0 HG2 GLU A 12 17.566 -6.329 -11.068 1.00 44.54 H new ATOM 0 HG3 GLU A 12 16.430 -5.021 -11.334 1.00 44.54 H new ATOM 138 N LEU A 13 14.524 -6.763 -14.954 1.00 11.22 N ATOM 139 CA LEU A 13 13.574 -7.256 -15.946 1.00 30.22 C ATOM 140 C LEU A 13 14.297 -7.764 -17.188 1.00 3.11 C ATOM 141 O LEU A 13 13.869 -8.732 -17.816 1.00 63.21 O ATOM 142 CB LEU A 13 12.590 -6.149 -16.332 1.00 71.45 C ATOM 143 CG LEU A 13 11.262 -6.612 -16.933 1.00 53.34 C ATOM 144 CD1 LEU A 13 10.262 -5.467 -16.965 1.00 12.31 C ATOM 145 CD2 LEU A 13 11.479 -7.173 -18.332 1.00 34.43 C ATOM 0 H LEU A 13 14.337 -5.816 -14.625 1.00 11.22 H new ATOM 0 HA LEU A 13 13.023 -8.087 -15.504 1.00 30.22 H new ATOM 0 HB2 LEU A 13 12.376 -5.554 -15.444 1.00 71.45 H new ATOM 0 HB3 LEU A 13 13.079 -5.489 -17.048 1.00 71.45 H new ATOM 0 HG LEU A 13 10.855 -7.403 -16.303 1.00 53.34 H new ATOM 0 HD11 LEU A 13 9.323 -5.816 -17.396 1.00 12.31 H new ATOM 0 HD12 LEU A 13 10.085 -5.110 -15.950 1.00 12.31 H new ATOM 0 HD13 LEU A 13 10.660 -4.653 -17.572 1.00 12.31 H new ATOM 0 HD21 LEU A 13 10.524 -7.498 -18.746 1.00 34.43 H new ATOM 0 HD22 LEU A 13 11.907 -6.401 -18.971 1.00 34.43 H new ATOM 0 HD23 LEU A 13 12.161 -8.022 -18.282 1.00 34.43 H new ATOM 157 N ASP A 14 15.398 -7.106 -17.536 1.00 0.51 N ATOM 158 CA ASP A 14 16.184 -7.494 -18.701 1.00 14.12 C ATOM 159 C ASP A 14 16.697 -8.923 -18.560 1.00 54.43 C ATOM 160 O ASP A 14 16.387 -9.790 -19.379 1.00 33.24 O ATOM 161 CB ASP A 14 17.360 -6.533 -18.892 1.00 35.52 C ATOM 162 CG ASP A 14 17.741 -6.367 -20.350 1.00 73.14 C ATOM 163 OD1 ASP A 14 18.200 -7.356 -20.960 1.00 20.02 O ATOM 164 OD2 ASP A 14 17.579 -5.250 -20.882 1.00 22.01 O1- ATOM 0 H ASP A 14 15.766 -6.302 -17.028 1.00 0.51 H new ATOM 0 HA ASP A 14 15.538 -7.445 -19.577 1.00 14.12 H new ATOM 0 HB2 ASP A 14 17.102 -5.560 -18.474 1.00 35.52 H new ATOM 0 HB3 ASP A 14 18.221 -6.902 -18.334 1.00 35.52 H new ATOM 169 N LYS A 15 17.484 -9.164 -17.518 1.00 4.22 N ATOM 170 CA LYS A 15 18.041 -10.488 -17.267 1.00 54.42 C ATOM 171 C LYS A 15 16.932 -11.509 -17.032 1.00 13.45 C ATOM 172 O LYS A 15 17.014 -12.645 -17.498 1.00 34.33 O ATOM 173 CB LYS A 15 18.979 -10.450 -16.059 1.00 51.32 C ATOM 174 CG LYS A 15 20.288 -9.727 -16.328 1.00 22.23 C ATOM 175 CD LYS A 15 20.898 -9.184 -15.046 1.00 24.20 C ATOM 176 CE LYS A 15 22.400 -8.990 -15.183 1.00 4.44 C ATOM 177 NZ LYS A 15 22.748 -7.581 -15.519 1.00 51.53 N1+ ATOM 0 H LYS A 15 17.751 -8.458 -16.832 1.00 4.22 H new ATOM 0 HA LYS A 15 18.607 -10.789 -18.148 1.00 54.42 H new ATOM 0 HB2 LYS A 15 18.468 -9.963 -15.228 1.00 51.32 H new ATOM 0 HB3 LYS A 15 19.195 -11.471 -15.745 1.00 51.32 H new ATOM 0 HG2 LYS A 15 20.991 -10.410 -16.806 1.00 22.23 H new ATOM 0 HG3 LYS A 15 20.116 -8.908 -17.026 1.00 22.23 H new ATOM 0 HD2 LYS A 15 20.429 -8.233 -14.793 1.00 24.20 H new ATOM 0 HD3 LYS A 15 20.692 -9.870 -14.225 1.00 24.20 H new ATOM 0 HE2 LYS A 15 22.889 -9.273 -14.251 1.00 4.44 H new ATOM 0 HE3 LYS A 15 22.783 -9.654 -15.958 1.00 4.44 H new ATOM 0 HZ1 LYS A 15 23.780 -7.489 -15.604 1.00 51.53 H new ATOM 0 HZ2 LYS A 15 22.302 -7.319 -16.421 1.00 51.53 H new ATOM 0 HZ3 LYS A 15 22.405 -6.950 -14.767 1.00 51.53 H new ATOM 191 N TRP A 16 15.899 -11.095 -16.309 1.00 33.55 N ATOM 192 CA TRP A 16 14.772 -11.974 -16.013 1.00 70.22 C ATOM 193 C TRP A 16 14.215 -12.593 -17.290 1.00 44.03 C ATOM 194 O TRP A 16 14.019 -13.806 -17.367 1.00 14.04 O ATOM 195 CB TRP A 16 13.671 -11.200 -15.285 1.00 2.42 C ATOM 196 CG TRP A 16 12.412 -11.990 -15.103 1.00 30.41 C ATOM 197 CD1 TRP A 16 11.295 -11.946 -15.889 1.00 24.25 C ATOM 198 CD2 TRP A 16 12.138 -12.940 -14.067 1.00 3.01 C ATOM 199 NE1 TRP A 16 10.344 -12.811 -15.403 1.00 4.13 N ATOM 200 CE2 TRP A 16 10.837 -13.434 -14.287 1.00 44.34 C ATOM 201 CE3 TRP A 16 12.866 -13.424 -12.976 1.00 14.24 C ATOM 202 CZ2 TRP A 16 10.252 -14.385 -13.456 1.00 5.11 C ATOM 203 CZ3 TRP A 16 12.284 -14.367 -12.152 1.00 62.23 C ATOM 204 CH2 TRP A 16 10.988 -14.841 -12.395 1.00 52.13 C ATOM 0 H TRP A 16 15.817 -10.157 -15.917 1.00 33.55 H new ATOM 0 HA TRP A 16 15.129 -12.776 -15.368 1.00 70.22 H new ATOM 0 HB2 TRP A 16 14.041 -10.889 -14.308 1.00 2.42 H new ATOM 0 HB3 TRP A 16 13.444 -10.292 -15.844 1.00 2.42 H new ATOM 0 HD1 TRP A 16 11.177 -11.323 -16.763 1.00 24.25 H new ATOM 0 HE1 TRP A 16 9.420 -12.964 -15.808 1.00 4.13 H new ATOM 0 HE3 TRP A 16 13.866 -13.067 -12.781 1.00 14.24 H new ATOM 0 HZ2 TRP A 16 9.253 -14.750 -13.641 1.00 5.11 H new ATOM 0 HZ3 TRP A 16 12.837 -14.746 -11.305 1.00 62.23 H new ATOM 0 HH2 TRP A 16 10.561 -15.580 -11.733 1.00 52.13 H new ATOM 215 N GLU A 17 13.963 -11.754 -18.290 1.00 43.02 N ATOM 216 CA GLU A 17 13.429 -12.222 -19.562 1.00 14.40 C ATOM 217 C GLU A 17 14.404 -13.178 -20.244 1.00 31.43 C ATOM 218 O GLU A 17 14.002 -14.033 -21.033 1.00 44.43 O ATOM 219 CB GLU A 17 13.134 -11.036 -20.483 1.00 15.15 C ATOM 220 CG GLU A 17 11.714 -10.508 -20.361 1.00 62.53 C ATOM 221 CD GLU A 17 11.190 -9.935 -21.663 1.00 71.51 C ATOM 222 OE1 GLU A 17 11.998 -9.373 -22.431 1.00 64.55 O ATOM 223 OE2 GLU A 17 9.971 -10.048 -21.914 1.00 5.13 O1- ATOM 0 H GLU A 17 14.120 -10.747 -18.243 1.00 43.02 H new ATOM 0 HA GLU A 17 12.501 -12.758 -19.362 1.00 14.40 H new ATOM 0 HB2 GLU A 17 13.833 -10.230 -20.258 1.00 15.15 H new ATOM 0 HB3 GLU A 17 13.314 -11.335 -21.516 1.00 15.15 H new ATOM 0 HG2 GLU A 17 11.058 -11.314 -20.033 1.00 62.53 H new ATOM 0 HG3 GLU A 17 11.682 -9.738 -19.591 1.00 62.53 H new ATOM 230 N LYS A 18 15.686 -13.026 -19.933 1.00 0.32 N ATOM 231 CA LYS A 18 16.720 -13.875 -20.514 1.00 32.21 C ATOM 232 C LYS A 18 16.722 -15.254 -19.860 1.00 14.34 C ATOM 233 O LYS A 18 16.790 -16.275 -20.545 1.00 40.10 O ATOM 234 CB LYS A 18 18.095 -13.222 -20.355 1.00 23.24 C ATOM 235 CG LYS A 18 18.707 -12.766 -21.667 1.00 22.23 C ATOM 236 CD LYS A 18 19.285 -13.934 -22.448 1.00 61.21 C ATOM 237 CE LYS A 18 19.431 -13.600 -23.925 1.00 2.34 C ATOM 238 NZ LYS A 18 20.755 -14.019 -24.461 1.00 23.21 N1+ ATOM 0 H LYS A 18 16.035 -12.323 -19.282 1.00 0.32 H new ATOM 0 HA LYS A 18 16.502 -13.995 -21.575 1.00 32.21 H new ATOM 0 HB2 LYS A 18 18.006 -12.365 -19.688 1.00 23.24 H new ATOM 0 HB3 LYS A 18 18.771 -13.930 -19.875 1.00 23.24 H new ATOM 0 HG2 LYS A 18 17.949 -12.265 -22.268 1.00 22.23 H new ATOM 0 HG3 LYS A 18 19.491 -12.036 -21.469 1.00 22.23 H new ATOM 0 HD2 LYS A 18 20.258 -14.202 -22.037 1.00 61.21 H new ATOM 0 HD3 LYS A 18 18.640 -14.805 -22.333 1.00 61.21 H new ATOM 0 HE2 LYS A 18 18.639 -14.093 -24.489 1.00 2.34 H new ATOM 0 HE3 LYS A 18 19.304 -12.527 -24.069 1.00 2.34 H new ATOM 0 HZ1 LYS A 18 20.814 -13.774 -25.470 1.00 23.21 H new ATOM 0 HZ2 LYS A 18 21.511 -13.530 -23.941 1.00 23.21 H new ATOM 0 HZ3 LYS A 18 20.866 -15.047 -24.347 1.00 23.21 H new ATOM 252 N ILE A 19 16.645 -15.275 -18.534 1.00 30.00 N ATOM 253 CA ILE A 19 16.635 -16.528 -17.790 1.00 41.11 C ATOM 254 C ILE A 19 15.570 -17.478 -18.326 1.00 55.03 C ATOM 255 O ILE A 19 14.438 -17.071 -18.592 1.00 14.42 O ATOM 256 CB ILE A 19 16.386 -16.290 -16.289 1.00 73.40 C ATOM 257 CG1 ILE A 19 17.460 -15.366 -15.712 1.00 0.24 C ATOM 258 CG2 ILE A 19 16.360 -17.613 -15.540 1.00 62.33 C ATOM 259 CD1 ILE A 19 17.069 -14.734 -14.394 1.00 13.15 C ATOM 0 H ILE A 19 16.589 -14.439 -17.953 1.00 30.00 H new ATOM 0 HA ILE A 19 17.619 -16.979 -17.920 1.00 41.11 H new ATOM 0 HB ILE A 19 15.416 -15.808 -16.169 1.00 73.40 H new ATOM 0 HG12 ILE A 19 18.380 -15.933 -15.575 1.00 0.24 H new ATOM 0 HG13 ILE A 19 17.676 -14.578 -16.434 1.00 0.24 H new ATOM 0 HG21 ILE A 19 16.183 -17.428 -14.481 1.00 62.33 H new ATOM 0 HG22 ILE A 19 15.562 -18.240 -15.937 1.00 62.33 H new ATOM 0 HG23 ILE A 19 17.316 -18.121 -15.665 1.00 62.33 H new ATOM 0 HD11 ILE A 19 17.878 -14.092 -14.044 1.00 13.15 H new ATOM 0 HD12 ILE A 19 16.166 -14.139 -14.530 1.00 13.15 H new ATOM 0 HD13 ILE A 19 16.881 -15.515 -13.657 1.00 13.15 H new ATOM 271 N ARG A 20 15.938 -18.745 -18.481 1.00 71.15 N ATOM 272 CA ARG A 20 15.013 -19.754 -18.985 1.00 23.24 C ATOM 273 C ARG A 20 14.360 -20.515 -17.835 1.00 12.51 C ATOM 274 O ARG A 20 14.858 -20.507 -16.709 1.00 62.13 O ATOM 275 CB ARG A 20 15.743 -20.730 -19.908 1.00 44.53 C ATOM 276 CG ARG A 20 16.455 -20.055 -21.069 1.00 1.22 C ATOM 277 CD ARG A 20 17.087 -21.075 -22.004 1.00 1.33 C ATOM 278 NE ARG A 20 18.075 -20.465 -22.891 1.00 65.11 N ATOM 279 CZ ARG A 20 18.498 -21.029 -24.017 1.00 15.52 C ATOM 280 NH1 ARG A 20 18.022 -22.208 -24.392 1.00 15.15 N1+ ATOM 281 NH2 ARG A 20 19.398 -20.411 -24.770 1.00 54.54 N ATOM 0 H ARG A 20 16.870 -19.098 -18.265 1.00 71.15 H new ATOM 0 HA ARG A 20 14.232 -19.245 -19.551 1.00 23.24 H new ATOM 0 HB2 ARG A 20 16.471 -21.293 -19.324 1.00 44.53 H new ATOM 0 HB3 ARG A 20 15.025 -21.450 -20.302 1.00 44.53 H new ATOM 0 HG2 ARG A 20 15.746 -19.441 -21.624 1.00 1.22 H new ATOM 0 HG3 ARG A 20 17.225 -19.385 -20.685 1.00 1.22 H new ATOM 0 HD2 ARG A 20 17.563 -21.860 -21.416 1.00 1.33 H new ATOM 0 HD3 ARG A 20 16.309 -21.551 -22.601 1.00 1.33 H new ATOM 0 HE ARG A 20 18.461 -19.557 -22.632 1.00 65.11 H new ATOM 0 HH11 ARG A 20 17.329 -22.685 -23.815 1.00 15.15 H new ATOM 0 HH12 ARG A 20 18.349 -22.638 -25.257 1.00 15.15 H new ATOM 0 HH21 ARG A 20 19.765 -19.503 -24.484 1.00 54.54 H new ATOM 0 HH22 ARG A 20 19.723 -20.844 -25.635 1.00 54.54 H new ATOM 295 N LEU A 21 13.243 -21.171 -18.127 1.00 73.41 N ATOM 296 CA LEU A 21 12.521 -21.939 -17.118 1.00 33.33 C ATOM 297 C LEU A 21 13.162 -23.306 -16.911 1.00 24.31 C ATOM 298 O LEU A 21 13.430 -23.711 -15.779 1.00 63.33 O ATOM 299 CB LEU A 21 11.056 -22.107 -17.528 1.00 51.12 C ATOM 300 CG LEU A 21 10.358 -20.853 -18.057 1.00 41.03 C ATOM 301 CD1 LEU A 21 9.095 -21.225 -18.817 1.00 71.24 C ATOM 302 CD2 LEU A 21 10.036 -19.901 -16.914 1.00 74.41 C ATOM 0 H LEU A 21 12.817 -21.187 -19.054 1.00 73.41 H new ATOM 0 HA LEU A 21 12.569 -21.390 -16.177 1.00 33.33 H new ATOM 0 HB2 LEU A 21 11.001 -22.880 -18.295 1.00 51.12 H new ATOM 0 HB3 LEU A 21 10.498 -22.473 -16.666 1.00 51.12 H new ATOM 0 HG LEU A 21 11.034 -20.346 -18.746 1.00 41.03 H new ATOM 0 HD11 LEU A 21 8.612 -20.320 -19.186 1.00 71.24 H new ATOM 0 HD12 LEU A 21 9.353 -21.867 -19.659 1.00 71.24 H new ATOM 0 HD13 LEU A 21 8.413 -21.755 -18.152 1.00 71.24 H new ATOM 0 HD21 LEU A 21 9.540 -19.014 -17.308 1.00 74.41 H new ATOM 0 HD22 LEU A 21 9.379 -20.398 -16.201 1.00 74.41 H new ATOM 0 HD23 LEU A 21 10.959 -19.608 -16.414 1.00 74.41 H new ATOM 314 N ARG A 22 13.410 -24.011 -18.009 1.00 31.41 N ATOM 315 CA ARG A 22 14.022 -25.333 -17.947 1.00 11.22 C ATOM 316 C ARG A 22 15.471 -25.284 -18.422 1.00 11.23 C ATOM 317 O ARG A 22 15.884 -24.372 -19.138 1.00 63.12 O ATOM 318 CB ARG A 22 13.229 -26.326 -18.799 1.00 23.30 C ATOM 319 CG ARG A 22 12.096 -27.006 -18.046 1.00 4.32 C ATOM 320 CD ARG A 22 10.739 -26.482 -18.490 1.00 4.11 C ATOM 321 NE ARG A 22 9.692 -26.781 -17.516 1.00 4.54 N ATOM 322 CZ ARG A 22 9.212 -28.001 -17.305 1.00 73.25 C ATOM 323 NH1 ARG A 22 9.683 -29.031 -17.995 1.00 64.14 N1+ ATOM 324 NH2 ARG A 22 8.259 -28.194 -16.402 1.00 21.24 N ATOM 0 H ARG A 22 13.197 -23.689 -18.953 1.00 31.41 H new ATOM 0 HA ARG A 22 14.009 -25.663 -16.908 1.00 11.22 H new ATOM 0 HB2 ARG A 22 12.818 -25.803 -19.663 1.00 23.30 H new ATOM 0 HB3 ARG A 22 13.909 -27.088 -19.181 1.00 23.30 H new ATOM 0 HG2 ARG A 22 12.143 -28.083 -18.210 1.00 4.32 H new ATOM 0 HG3 ARG A 22 12.219 -26.841 -16.976 1.00 4.32 H new ATOM 0 HD2 ARG A 22 10.798 -25.404 -18.640 1.00 4.11 H new ATOM 0 HD3 ARG A 22 10.477 -26.923 -19.451 1.00 4.11 H new ATOM 0 HE ARG A 22 9.309 -26.011 -16.968 1.00 4.54 H new ATOM 0 HH11 ARG A 22 10.416 -28.887 -18.690 1.00 64.14 H new ATOM 0 HH12 ARG A 22 9.312 -29.967 -17.831 1.00 64.14 H new ATOM 0 HH21 ARG A 22 7.894 -27.405 -15.869 1.00 21.24 H new ATOM 0 HH22 ARG A 22 7.891 -29.132 -16.241 1.00 21.24 H new ATOM 338 N PRO A 23 16.262 -26.287 -18.014 1.00 24.32 N ATOM 339 CA PRO A 23 17.677 -26.380 -18.385 1.00 71.22 C ATOM 340 C PRO A 23 17.868 -26.701 -19.864 1.00 5.30 C ATOM 341 O PRO A 23 18.824 -26.245 -20.489 1.00 0.33 O ATOM 342 CB PRO A 23 18.196 -27.529 -17.518 1.00 43.14 C ATOM 343 CG PRO A 23 16.995 -28.363 -17.234 1.00 71.35 C ATOM 344 CD PRO A 23 15.836 -27.408 -17.159 1.00 4.33 C ATOM 0 HA PRO A 23 18.203 -25.438 -18.228 1.00 71.22 H new ATOM 0 HB2 PRO A 23 18.962 -28.103 -18.039 1.00 43.14 H new ATOM 0 HB3 PRO A 23 18.647 -27.158 -16.598 1.00 43.14 H new ATOM 0 HG2 PRO A 23 16.840 -29.104 -18.018 1.00 71.35 H new ATOM 0 HG3 PRO A 23 17.112 -28.909 -16.298 1.00 71.35 H new ATOM 0 HD2 PRO A 23 14.915 -27.864 -17.523 1.00 4.33 H new ATOM 0 HD3 PRO A 23 15.648 -27.084 -16.135 1.00 4.33 H new ATOM 352 N GLY A 24 16.951 -27.489 -20.418 1.00 1.24 N ATOM 353 CA GLY A 24 17.037 -27.856 -21.819 1.00 10.14 C ATOM 354 C GLY A 24 15.740 -27.609 -22.564 1.00 41.51 C ATOM 355 O GLY A 24 15.107 -28.545 -23.050 1.00 3.22 O ATOM 0 H GLY A 24 16.150 -27.879 -19.921 1.00 1.24 H new ATOM 0 HA2 GLY A 24 17.838 -27.287 -22.292 1.00 10.14 H new ATOM 0 HA3 GLY A 24 17.304 -28.910 -21.900 1.00 10.14 H new ATOM 359 N GLY A 25 15.342 -26.343 -22.652 1.00 15.32 N ATOM 360 CA GLY A 25 14.113 -25.998 -23.343 1.00 63.23 C ATOM 361 C GLY A 25 14.291 -24.832 -24.294 1.00 75.24 C ATOM 362 O GLY A 25 15.408 -24.365 -24.515 1.00 13.20 O ATOM 0 H GLY A 25 15.849 -25.551 -22.257 1.00 15.32 H new ATOM 0 HA2 GLY A 25 13.757 -26.865 -23.899 1.00 63.23 H new ATOM 0 HA3 GLY A 25 13.345 -25.751 -22.610 1.00 63.23 H new ATOM 366 N LYS A 26 13.186 -24.361 -24.863 1.00 71.33 N ATOM 367 CA LYS A 26 13.222 -23.243 -25.798 1.00 45.52 C ATOM 368 C LYS A 26 12.301 -22.118 -25.337 1.00 23.50 C ATOM 369 O LYS A 26 11.799 -21.341 -26.148 1.00 31.12 O ATOM 370 CB LYS A 26 12.815 -23.708 -27.198 1.00 41.20 C ATOM 371 CG LYS A 26 13.300 -22.790 -28.308 1.00 72.52 C ATOM 372 CD LYS A 26 13.420 -23.530 -29.629 1.00 43.51 C ATOM 373 CE LYS A 26 14.633 -23.063 -30.420 1.00 41.01 C ATOM 374 NZ LYS A 26 15.363 -24.204 -31.041 1.00 64.11 N1+ ATOM 0 H LYS A 26 12.253 -24.737 -24.692 1.00 71.33 H new ATOM 0 HA LYS A 26 14.243 -22.863 -25.831 1.00 45.52 H new ATOM 0 HB2 LYS A 26 13.209 -24.710 -27.368 1.00 41.20 H new ATOM 0 HB3 LYS A 26 11.728 -23.780 -27.246 1.00 41.20 H new ATOM 0 HG2 LYS A 26 12.609 -21.955 -28.419 1.00 72.52 H new ATOM 0 HG3 LYS A 26 14.268 -22.369 -28.036 1.00 72.52 H new ATOM 0 HD2 LYS A 26 13.496 -24.601 -29.442 1.00 43.51 H new ATOM 0 HD3 LYS A 26 12.517 -23.373 -30.219 1.00 43.51 H new ATOM 0 HE2 LYS A 26 14.314 -22.369 -31.198 1.00 41.01 H new ATOM 0 HE3 LYS A 26 15.307 -22.516 -29.761 1.00 41.01 H new ATOM 0 HZ1 LYS A 26 16.183 -23.845 -31.571 1.00 64.11 H new ATOM 0 HZ2 LYS A 26 15.689 -24.853 -30.297 1.00 64.11 H new ATOM 0 HZ3 LYS A 26 14.727 -24.711 -31.689 1.00 64.11 H new ATOM 388 N LYS A 27 12.084 -22.035 -24.028 1.00 63.44 N ATOM 389 CA LYS A 27 11.226 -21.005 -23.457 1.00 13.43 C ATOM 390 C LYS A 27 12.001 -20.135 -22.473 1.00 1.03 C ATOM 391 O LYS A 27 12.954 -20.593 -21.844 1.00 10.24 O ATOM 392 CB LYS A 27 10.025 -21.643 -22.755 1.00 2.52 C ATOM 393 CG LYS A 27 8.770 -21.680 -23.609 1.00 72.11 C ATOM 394 CD LYS A 27 7.642 -22.423 -22.911 1.00 0.34 C ATOM 395 CE LYS A 27 6.455 -22.631 -23.837 1.00 55.41 C ATOM 396 NZ LYS A 27 5.685 -21.374 -24.044 1.00 34.23 N1+ ATOM 0 H LYS A 27 12.492 -22.671 -23.342 1.00 63.44 H new ATOM 0 HA LYS A 27 10.869 -20.373 -24.270 1.00 13.43 H new ATOM 0 HB2 LYS A 27 10.285 -22.660 -22.462 1.00 2.52 H new ATOM 0 HB3 LYS A 27 9.815 -21.091 -21.839 1.00 2.52 H new ATOM 0 HG2 LYS A 27 8.452 -20.662 -23.834 1.00 72.11 H new ATOM 0 HG3 LYS A 27 8.991 -22.163 -24.561 1.00 72.11 H new ATOM 0 HD2 LYS A 27 8.004 -23.389 -22.559 1.00 0.34 H new ATOM 0 HD3 LYS A 27 7.325 -21.862 -22.032 1.00 0.34 H new ATOM 0 HE2 LYS A 27 6.806 -23.004 -24.799 1.00 55.41 H new ATOM 0 HE3 LYS A 27 5.798 -23.394 -23.420 1.00 55.41 H new ATOM 0 HZ1 LYS A 27 4.884 -21.558 -24.681 1.00 34.23 H new ATOM 0 HZ2 LYS A 27 5.328 -21.031 -23.129 1.00 34.23 H new ATOM 0 HZ3 LYS A 27 6.304 -20.653 -24.466 1.00 34.23 H new ATOM 410 N GLN A 28 11.584 -18.879 -22.344 1.00 53.42 N ATOM 411 CA GLN A 28 12.240 -17.946 -21.436 1.00 2.44 C ATOM 412 C GLN A 28 11.275 -17.467 -20.357 1.00 62.51 C ATOM 413 O GLN A 28 10.083 -17.775 -20.396 1.00 4.14 O ATOM 414 CB GLN A 28 12.791 -16.748 -22.211 1.00 41.21 C ATOM 415 CG GLN A 28 13.531 -17.135 -23.483 1.00 23.34 C ATOM 416 CD GLN A 28 12.599 -17.326 -24.664 1.00 3.43 C ATOM 417 OE1 GLN A 28 12.478 -18.428 -25.200 1.00 1.23 O ATOM 418 NE2 GLN A 28 11.936 -16.252 -25.075 1.00 43.34 N ATOM 0 H GLN A 28 10.795 -18.485 -22.857 1.00 53.42 H new ATOM 0 HA GLN A 28 13.066 -18.469 -20.954 1.00 2.44 H new ATOM 0 HB2 GLN A 28 11.967 -16.082 -22.468 1.00 41.21 H new ATOM 0 HB3 GLN A 28 13.465 -16.186 -21.565 1.00 41.21 H new ATOM 0 HG2 GLN A 28 14.262 -16.363 -23.723 1.00 23.34 H new ATOM 0 HG3 GLN A 28 14.086 -18.057 -23.310 1.00 23.34 H new ATOM 0 HE21 GLN A 28 12.068 -15.359 -24.600 1.00 43.34 H new ATOM 0 HE22 GLN A 28 11.295 -16.320 -25.865 1.00 43.34 H new ATOM 427 N TYR A 29 11.796 -16.713 -19.395 1.00 74.33 N ATOM 428 CA TYR A 29 10.980 -16.194 -18.304 1.00 52.25 C ATOM 429 C TYR A 29 10.242 -14.930 -18.730 1.00 21.24 C ATOM 430 O TYR A 29 10.717 -14.175 -19.579 1.00 21.04 O ATOM 431 CB TYR A 29 11.853 -15.903 -17.082 1.00 31.42 C ATOM 432 CG TYR A 29 11.793 -16.981 -16.024 1.00 12.21 C ATOM 433 CD1 TYR A 29 10.708 -17.077 -15.162 1.00 3.03 C ATOM 434 CD2 TYR A 29 12.823 -17.904 -15.886 1.00 40.21 C ATOM 435 CE1 TYR A 29 10.650 -18.060 -14.193 1.00 20.13 C ATOM 436 CE2 TYR A 29 12.773 -18.891 -14.921 1.00 33.44 C ATOM 437 CZ TYR A 29 11.683 -18.965 -14.077 1.00 1.54 C ATOM 438 OH TYR A 29 11.631 -19.947 -13.114 1.00 32.24 O ATOM 0 H TYR A 29 12.780 -16.448 -19.349 1.00 74.33 H new ATOM 0 HA TYR A 29 10.242 -16.952 -18.042 1.00 52.25 H new ATOM 0 HB2 TYR A 29 12.887 -15.780 -17.405 1.00 31.42 H new ATOM 0 HB3 TYR A 29 11.542 -14.956 -16.641 1.00 31.42 H new ATOM 0 HD1 TYR A 29 9.896 -16.371 -15.251 1.00 3.03 H new ATOM 0 HD2 TYR A 29 13.677 -17.849 -16.545 1.00 40.21 H new ATOM 0 HE1 TYR A 29 9.800 -18.119 -13.530 1.00 20.13 H new ATOM 0 HE2 TYR A 29 13.582 -19.601 -14.827 1.00 33.44 H new ATOM 0 HH TYR A 29 12.289 -20.643 -13.321 1.00 32.24 H new ATOM 448 N LYS A 30 9.076 -14.704 -18.133 1.00 33.21 N ATOM 449 CA LYS A 30 8.270 -13.530 -18.448 1.00 22.35 C ATOM 450 C LYS A 30 7.449 -13.095 -17.237 1.00 13.10 C ATOM 451 O LYS A 30 7.348 -13.822 -16.248 1.00 53.01 O ATOM 452 CB LYS A 30 7.342 -13.824 -19.628 1.00 31.41 C ATOM 453 CG LYS A 30 7.702 -13.059 -20.890 1.00 22.32 C ATOM 454 CD LYS A 30 6.487 -12.842 -21.776 1.00 50.12 C ATOM 455 CE LYS A 30 5.979 -14.152 -22.357 1.00 42.54 C ATOM 456 NZ LYS A 30 5.589 -14.010 -23.787 1.00 54.12 N1+ ATOM 0 H LYS A 30 8.668 -15.319 -17.428 1.00 33.21 H new ATOM 0 HA LYS A 30 8.945 -12.718 -18.719 1.00 22.35 H new ATOM 0 HB2 LYS A 30 7.367 -14.893 -19.841 1.00 31.41 H new ATOM 0 HB3 LYS A 30 6.318 -13.579 -19.344 1.00 31.41 H new ATOM 0 HG2 LYS A 30 8.134 -12.095 -20.621 1.00 22.32 H new ATOM 0 HG3 LYS A 30 8.464 -13.607 -21.444 1.00 22.32 H new ATOM 0 HD2 LYS A 30 5.694 -12.368 -21.198 1.00 50.12 H new ATOM 0 HD3 LYS A 30 6.743 -12.159 -22.586 1.00 50.12 H new ATOM 0 HE2 LYS A 30 6.753 -14.914 -22.266 1.00 42.54 H new ATOM 0 HE3 LYS A 30 5.122 -14.497 -21.779 1.00 42.54 H new ATOM 0 HZ1 LYS A 30 5.248 -14.924 -24.146 1.00 54.12 H new ATOM 0 HZ2 LYS A 30 4.833 -13.301 -23.872 1.00 54.12 H new ATOM 0 HZ3 LYS A 30 6.413 -13.705 -24.343 1.00 54.12 H new ATOM 470 N LEU A 31 6.864 -11.905 -17.323 1.00 62.53 N ATOM 471 CA LEU A 31 6.049 -11.373 -16.235 1.00 62.04 C ATOM 472 C LEU A 31 4.953 -12.359 -15.843 1.00 54.41 C ATOM 473 O LEU A 31 4.499 -12.378 -14.699 1.00 12.40 O ATOM 474 CB LEU A 31 5.428 -10.037 -16.643 1.00 35.22 C ATOM 475 CG LEU A 31 6.025 -8.791 -15.990 1.00 41.43 C ATOM 476 CD1 LEU A 31 5.767 -8.798 -14.492 1.00 3.20 C ATOM 477 CD2 LEU A 31 7.517 -8.703 -16.275 1.00 43.21 C ATOM 0 H LEU A 31 6.938 -11.291 -18.134 1.00 62.53 H new ATOM 0 HA LEU A 31 6.696 -11.217 -15.372 1.00 62.04 H new ATOM 0 HB2 LEU A 31 5.517 -9.933 -17.724 1.00 35.22 H new ATOM 0 HB3 LEU A 31 4.363 -10.069 -16.412 1.00 35.22 H new ATOM 0 HG LEU A 31 5.541 -7.913 -16.417 1.00 41.43 H new ATOM 0 HD11 LEU A 31 6.199 -7.903 -14.044 1.00 3.20 H new ATOM 0 HD12 LEU A 31 4.693 -8.813 -14.308 1.00 3.20 H new ATOM 0 HD13 LEU A 31 6.224 -9.683 -14.048 1.00 3.20 H new ATOM 0 HD21 LEU A 31 7.926 -7.810 -15.802 1.00 43.21 H new ATOM 0 HD22 LEU A 31 8.016 -9.586 -15.875 1.00 43.21 H new ATOM 0 HD23 LEU A 31 7.679 -8.650 -17.352 1.00 43.21 H new ATOM 489 N LYS A 32 4.533 -13.180 -16.800 1.00 14.43 N ATOM 490 CA LYS A 32 3.492 -14.171 -16.556 1.00 70.33 C ATOM 491 C LYS A 32 3.826 -15.020 -15.334 1.00 31.34 C ATOM 492 O LYS A 32 2.932 -15.473 -14.617 1.00 51.42 O ATOM 493 CB LYS A 32 3.318 -15.070 -17.782 1.00 72.21 C ATOM 494 CG LYS A 32 1.960 -14.932 -18.450 1.00 3.43 C ATOM 495 CD LYS A 32 0.936 -15.868 -17.831 1.00 42.22 C ATOM 496 CE LYS A 32 0.207 -16.676 -18.894 1.00 1.33 C ATOM 497 NZ LYS A 32 0.659 -18.095 -18.920 1.00 11.23 N1+ ATOM 0 H LYS A 32 4.898 -13.178 -17.752 1.00 14.43 H new ATOM 0 HA LYS A 32 2.558 -13.642 -16.365 1.00 70.33 H new ATOM 0 HB2 LYS A 32 4.096 -14.835 -18.508 1.00 72.21 H new ATOM 0 HB3 LYS A 32 3.463 -16.108 -17.484 1.00 72.21 H new ATOM 0 HG2 LYS A 32 1.613 -13.902 -18.362 1.00 3.43 H new ATOM 0 HG3 LYS A 32 2.054 -15.147 -19.515 1.00 3.43 H new ATOM 0 HD2 LYS A 32 1.433 -16.544 -17.135 1.00 42.22 H new ATOM 0 HD3 LYS A 32 0.215 -15.290 -17.253 1.00 42.22 H new ATOM 0 HE2 LYS A 32 -0.866 -16.640 -18.705 1.00 1.33 H new ATOM 0 HE3 LYS A 32 0.374 -16.224 -19.872 1.00 1.33 H new ATOM 0 HZ1 LYS A 32 0.139 -18.612 -19.657 1.00 11.23 H new ATOM 0 HZ2 LYS A 32 1.678 -18.131 -19.125 1.00 11.23 H new ATOM 0 HZ3 LYS A 32 0.477 -18.534 -17.995 1.00 11.23 H new ATOM 511 N HIS A 33 5.118 -15.231 -15.100 1.00 70.42 N ATOM 512 CA HIS A 33 5.570 -16.025 -13.962 1.00 14.30 C ATOM 513 C HIS A 33 5.656 -15.167 -12.703 1.00 11.34 C ATOM 514 O HIS A 33 5.394 -15.710 -11.630 1.00 62.00 O ATOM 515 CB HIS A 33 6.932 -16.652 -14.260 1.00 73.55 C ATOM 516 CG HIS A 33 7.004 -17.319 -15.600 1.00 22.20 C ATOM 517 ND1 HIS A 33 7.863 -16.911 -16.598 1.00 21.43 N ATOM 518 CD2 HIS A 33 6.319 -18.373 -16.102 1.00 22.43 C ATOM 519 CE1 HIS A 33 7.701 -17.684 -17.658 1.00 23.53 C ATOM 520 NE2 HIS A 33 6.770 -18.580 -17.381 1.00 54.55 N ATOM 0 H HIS A 33 5.870 -14.863 -15.683 1.00 70.42 H new ATOM 0 HA HIS A 33 4.843 -16.819 -13.791 1.00 14.30 H new ATOM 0 HB2 HIS A 33 7.698 -15.879 -14.207 1.00 73.55 H new ATOM 0 HB3 HIS A 33 7.163 -17.384 -13.486 1.00 73.55 H new ATOM 0 HD2 HIS A 33 5.559 -18.945 -15.591 1.00 22.43 H new ATOM 0 HE1 HIS A 33 8.238 -17.598 -18.591 1.00 23.53 H new ATOM 0 HE2 HIS A 33 6.440 -19.308 -18.015 1.00 54.55 H new ATOM 528 N ILE A 34 6.004 -13.888 -12.801 1.00 53.31 N ATOM 529 CA ILE A 34 6.099 -13.030 -11.627 1.00 13.12 C ATOM 530 C ILE A 34 4.716 -12.693 -11.080 1.00 65.44 C ATOM 531 O ILE A 34 4.519 -12.615 -9.867 1.00 2.22 O ATOM 532 CB ILE A 34 6.846 -11.721 -11.945 1.00 62.33 C ATOM 533 CG1 ILE A 34 8.166 -12.022 -12.659 1.00 74.23 C ATOM 534 CG2 ILE A 34 7.096 -10.932 -10.670 1.00 24.25 C ATOM 535 CD1 ILE A 34 8.949 -10.782 -13.027 1.00 52.42 C ATOM 0 H ILE A 34 6.225 -13.423 -13.682 1.00 53.31 H new ATOM 0 HA ILE A 34 6.660 -13.585 -10.875 1.00 13.12 H new ATOM 0 HB ILE A 34 6.226 -11.117 -12.607 1.00 62.33 H new ATOM 0 HG12 ILE A 34 8.781 -12.653 -12.018 1.00 74.23 H new ATOM 0 HG13 ILE A 34 7.958 -12.593 -13.564 1.00 74.23 H new ATOM 0 HG21 ILE A 34 7.625 -10.010 -10.911 1.00 24.25 H new ATOM 0 HG22 ILE A 34 6.143 -10.692 -10.198 1.00 24.25 H new ATOM 0 HG23 ILE A 34 7.700 -11.528 -9.986 1.00 24.25 H new ATOM 0 HD11 ILE A 34 9.872 -11.070 -13.529 1.00 52.42 H new ATOM 0 HD12 ILE A 34 8.352 -10.159 -13.694 1.00 52.42 H new ATOM 0 HD13 ILE A 34 9.188 -10.221 -12.123 1.00 52.42 H new ATOM 547 N VAL A 35 3.760 -12.496 -11.981 1.00 32.00 N ATOM 548 CA VAL A 35 2.394 -12.171 -11.589 1.00 12.50 C ATOM 549 C VAL A 35 1.660 -13.405 -11.078 1.00 24.11 C ATOM 550 O VAL A 35 0.876 -13.325 -10.132 1.00 41.15 O ATOM 551 CB VAL A 35 1.602 -11.566 -12.764 1.00 73.22 C ATOM 552 CG1 VAL A 35 0.172 -11.262 -12.343 1.00 22.33 C ATOM 553 CG2 VAL A 35 2.292 -10.315 -13.283 1.00 11.05 C ATOM 0 H VAL A 35 3.906 -12.556 -12.989 1.00 32.00 H new ATOM 0 HA VAL A 35 2.461 -11.435 -10.788 1.00 12.50 H new ATOM 0 HB VAL A 35 1.570 -12.296 -13.573 1.00 73.22 H new ATOM 0 HG11 VAL A 35 -0.372 -10.835 -13.185 1.00 22.33 H new ATOM 0 HG12 VAL A 35 -0.317 -12.182 -12.024 1.00 22.33 H new ATOM 0 HG13 VAL A 35 0.179 -10.550 -11.518 1.00 22.33 H new ATOM 0 HG21 VAL A 35 1.719 -9.901 -14.113 1.00 11.05 H new ATOM 0 HG22 VAL A 35 2.357 -9.577 -12.483 1.00 11.05 H new ATOM 0 HG23 VAL A 35 3.295 -10.568 -13.626 1.00 11.05 H new ATOM 563 N TRP A 36 1.921 -14.545 -11.707 1.00 72.13 N ATOM 564 CA TRP A 36 1.285 -15.797 -11.315 1.00 73.31 C ATOM 565 C TRP A 36 1.792 -16.262 -9.954 1.00 73.12 C ATOM 566 O TRP A 36 1.031 -16.794 -9.147 1.00 61.14 O ATOM 567 CB TRP A 36 1.546 -16.877 -12.366 1.00 42.20 C ATOM 568 CG TRP A 36 1.053 -18.234 -11.960 1.00 11.41 C ATOM 569 CD1 TRP A 36 -0.202 -18.737 -12.142 1.00 21.43 C ATOM 570 CD2 TRP A 36 1.807 -19.258 -11.302 1.00 10.52 C ATOM 571 NE1 TRP A 36 -0.276 -20.013 -11.636 1.00 12.54 N ATOM 572 CE2 TRP A 36 0.945 -20.355 -11.117 1.00 71.41 C ATOM 573 CE3 TRP A 36 3.127 -19.355 -10.854 1.00 24.44 C ATOM 574 CZ2 TRP A 36 1.361 -21.533 -10.501 1.00 33.32 C ATOM 575 CZ3 TRP A 36 3.538 -20.524 -10.243 1.00 23.24 C ATOM 576 CH2 TRP A 36 2.658 -21.601 -10.072 1.00 24.13 C ATOM 0 H TRP A 36 2.569 -14.628 -12.491 1.00 72.13 H new ATOM 0 HA TRP A 36 0.211 -15.623 -11.242 1.00 73.31 H new ATOM 0 HB2 TRP A 36 1.065 -16.588 -13.300 1.00 42.20 H new ATOM 0 HB3 TRP A 36 2.617 -16.931 -12.562 1.00 42.20 H new ATOM 0 HD1 TRP A 36 -1.018 -18.210 -12.614 1.00 21.43 H new ATOM 0 HE1 TRP A 36 -1.104 -20.608 -11.645 1.00 12.54 H new ATOM 0 HE3 TRP A 36 3.813 -18.531 -10.983 1.00 24.44 H new ATOM 0 HZ2 TRP A 36 0.683 -22.363 -10.367 1.00 33.32 H new ATOM 0 HZ3 TRP A 36 4.555 -20.609 -9.891 1.00 23.24 H new ATOM 0 HH2 TRP A 36 3.011 -22.502 -9.592 1.00 24.13 H new ATOM 587 N ALA A 37 3.081 -16.057 -9.706 1.00 2.40 N ATOM 588 CA ALA A 37 3.688 -16.453 -8.441 1.00 42.22 C ATOM 589 C ALA A 37 3.140 -15.624 -7.285 1.00 70.22 C ATOM 590 O ALA A 37 2.931 -16.136 -6.186 1.00 63.42 O ATOM 591 CB ALA A 37 5.202 -16.319 -8.518 1.00 25.55 C ATOM 0 H ALA A 37 3.725 -15.619 -10.364 1.00 2.40 H new ATOM 0 HA ALA A 37 3.435 -17.497 -8.256 1.00 42.22 H new ATOM 0 HB1 ALA A 37 5.643 -16.618 -7.567 1.00 25.55 H new ATOM 0 HB2 ALA A 37 5.584 -16.960 -9.312 1.00 25.55 H new ATOM 0 HB3 ALA A 37 5.465 -15.283 -8.730 1.00 25.55 H new ATOM 597 N SER A 38 2.908 -14.341 -7.541 1.00 11.52 N ATOM 598 CA SER A 38 2.388 -13.439 -6.520 1.00 23.52 C ATOM 599 C SER A 38 0.979 -13.849 -6.101 1.00 23.25 C ATOM 600 O SER A 38 0.700 -14.025 -4.914 1.00 61.42 O ATOM 601 CB SER A 38 2.379 -11.999 -7.037 1.00 41.22 C ATOM 602 OG SER A 38 3.667 -11.415 -6.940 1.00 23.41 O ATOM 0 H SER A 38 3.072 -13.902 -8.447 1.00 11.52 H new ATOM 0 HA SER A 38 3.041 -13.501 -5.649 1.00 23.52 H new ATOM 0 HB2 SER A 38 2.046 -11.984 -8.075 1.00 41.22 H new ATOM 0 HB3 SER A 38 1.664 -11.408 -6.465 1.00 41.22 H new ATOM 0 HG SER A 38 4.185 -11.629 -7.744 1.00 23.41 H new ATOM 608 N ARG A 39 0.097 -13.999 -7.081 1.00 55.22 N ATOM 609 CA ARG A 39 -1.284 -14.387 -6.816 1.00 22.13 C ATOM 610 C ARG A 39 -1.340 -15.721 -6.076 1.00 34.42 C ATOM 611 O ARG A 39 -2.122 -15.890 -5.141 1.00 5.25 O ATOM 612 CB ARG A 39 -2.070 -14.483 -8.123 1.00 54.05 C ATOM 613 CG ARG A 39 -2.430 -13.132 -8.719 1.00 20.02 C ATOM 614 CD ARG A 39 -3.918 -12.845 -8.592 1.00 12.50 C ATOM 615 NE ARG A 39 -4.638 -13.137 -9.829 1.00 22.23 N ATOM 616 CZ ARG A 39 -5.934 -12.895 -9.999 1.00 63.44 C ATOM 617 NH1 ARG A 39 -6.646 -12.362 -9.016 1.00 72.22 N1+ ATOM 618 NH2 ARG A 39 -6.519 -13.189 -11.154 1.00 4.02 N ATOM 0 H ARG A 39 0.313 -13.858 -8.068 1.00 55.22 H new ATOM 0 HA ARG A 39 -1.736 -13.621 -6.186 1.00 22.13 H new ATOM 0 HB2 ARG A 39 -1.484 -15.046 -8.849 1.00 54.05 H new ATOM 0 HB3 ARG A 39 -2.985 -15.048 -7.946 1.00 54.05 H new ATOM 0 HG2 ARG A 39 -1.863 -12.349 -8.216 1.00 20.02 H new ATOM 0 HG3 ARG A 39 -2.142 -13.109 -9.770 1.00 20.02 H new ATOM 0 HD2 ARG A 39 -4.335 -13.442 -7.780 1.00 12.50 H new ATOM 0 HD3 ARG A 39 -4.064 -11.798 -8.326 1.00 12.50 H new ATOM 0 HE ARG A 39 -4.118 -13.549 -10.604 1.00 22.23 H new ATOM 0 HH11 ARG A 39 -6.200 -12.137 -8.127 1.00 72.22 H new ATOM 0 HH12 ARG A 39 -7.640 -12.177 -9.149 1.00 72.22 H new ATOM 0 HH21 ARG A 39 -5.974 -13.601 -11.911 1.00 4.02 H new ATOM 0 HH22 ARG A 39 -7.513 -13.003 -11.284 1.00 4.02 H new ATOM 632 N GLU A 40 -0.507 -16.664 -6.504 1.00 64.01 N ATOM 633 CA GLU A 40 -0.465 -17.983 -5.882 1.00 44.52 C ATOM 634 C GLU A 40 0.199 -17.917 -4.510 1.00 11.23 C ATOM 635 O GLU A 40 -0.068 -18.744 -3.638 1.00 63.20 O ATOM 636 CB GLU A 40 0.289 -18.969 -6.778 1.00 31.43 C ATOM 637 CG GLU A 40 -0.380 -20.329 -6.885 1.00 22.41 C ATOM 638 CD GLU A 40 -1.697 -20.274 -7.635 1.00 62.03 C ATOM 639 OE1 GLU A 40 -1.762 -19.572 -8.666 1.00 10.14 O ATOM 640 OE2 GLU A 40 -2.661 -20.933 -7.194 1.00 24.21 O1- ATOM 0 H GLU A 40 0.147 -16.540 -7.277 1.00 64.01 H new ATOM 0 HA GLU A 40 -1.491 -18.329 -5.754 1.00 44.52 H new ATOM 0 HB2 GLU A 40 0.384 -18.541 -7.776 1.00 31.43 H new ATOM 0 HB3 GLU A 40 1.299 -19.100 -6.390 1.00 31.43 H new ATOM 0 HG2 GLU A 40 0.293 -21.022 -7.390 1.00 22.41 H new ATOM 0 HG3 GLU A 40 -0.552 -20.725 -5.884 1.00 22.41 H new ATOM 647 N LEU A 41 1.066 -16.927 -4.325 1.00 54.11 N ATOM 648 CA LEU A 41 1.770 -16.751 -3.060 1.00 64.54 C ATOM 649 C LEU A 41 0.807 -16.327 -1.956 1.00 74.33 C ATOM 650 O LEU A 41 0.733 -16.963 -0.905 1.00 42.42 O ATOM 651 CB LEU A 41 2.880 -15.711 -3.210 1.00 40.44 C ATOM 652 CG LEU A 41 4.277 -16.259 -3.506 1.00 4.24 C ATOM 653 CD1 LEU A 41 5.271 -15.120 -3.682 1.00 54.14 C ATOM 654 CD2 LEU A 41 4.729 -17.194 -2.394 1.00 31.53 C ATOM 0 H LEU A 41 1.298 -16.234 -5.036 1.00 54.11 H new ATOM 0 HA LEU A 41 2.213 -17.708 -2.784 1.00 64.54 H new ATOM 0 HB2 LEU A 41 2.603 -15.026 -4.011 1.00 40.44 H new ATOM 0 HB3 LEU A 41 2.928 -15.125 -2.292 1.00 40.44 H new ATOM 0 HG LEU A 41 4.235 -16.825 -4.436 1.00 4.24 H new ATOM 0 HD11 LEU A 41 6.259 -15.529 -3.892 1.00 54.14 H new ATOM 0 HD12 LEU A 41 4.956 -14.487 -4.512 1.00 54.14 H new ATOM 0 HD13 LEU A 41 5.310 -14.527 -2.768 1.00 54.14 H new ATOM 0 HD21 LEU A 41 5.725 -17.575 -2.621 1.00 31.53 H new ATOM 0 HD22 LEU A 41 4.755 -16.650 -1.450 1.00 31.53 H new ATOM 0 HD23 LEU A 41 4.032 -18.028 -2.314 1.00 31.53 H new ATOM 666 N GLU A 42 0.067 -15.251 -2.204 1.00 2.41 N ATOM 667 CA GLU A 42 -0.893 -14.743 -1.231 1.00 45.21 C ATOM 668 C GLU A 42 -1.874 -15.835 -0.814 1.00 24.21 C ATOM 669 O GLU A 42 -2.418 -15.807 0.290 1.00 44.41 O ATOM 670 CB GLU A 42 -1.656 -13.549 -1.809 1.00 43.33 C ATOM 671 CG GLU A 42 -1.408 -12.249 -1.063 1.00 4.25 C ATOM 672 CD GLU A 42 -2.440 -11.989 0.017 1.00 61.43 C ATOM 673 OE1 GLU A 42 -3.648 -12.063 -0.289 1.00 72.21 O ATOM 674 OE2 GLU A 42 -2.040 -11.713 1.168 1.00 51.34 O1- ATOM 0 H GLU A 42 0.114 -14.714 -3.070 1.00 2.41 H new ATOM 0 HA GLU A 42 -0.341 -14.419 -0.349 1.00 45.21 H new ATOM 0 HB2 GLU A 42 -1.372 -13.419 -2.853 1.00 43.33 H new ATOM 0 HB3 GLU A 42 -2.723 -13.769 -1.794 1.00 43.33 H new ATOM 0 HG2 GLU A 42 -0.416 -12.277 -0.613 1.00 4.25 H new ATOM 0 HG3 GLU A 42 -1.413 -11.421 -1.772 1.00 4.25 H new ATOM 681 N ARG A 43 -2.095 -16.796 -1.705 1.00 14.45 N ATOM 682 CA ARG A 43 -3.012 -17.895 -1.432 1.00 52.11 C ATOM 683 C ARG A 43 -2.455 -18.809 -0.345 1.00 24.55 C ATOM 684 O ARG A 43 -3.208 -19.440 0.397 1.00 34.34 O ATOM 685 CB ARG A 43 -3.270 -18.700 -2.707 1.00 73.21 C ATOM 686 CG ARG A 43 -4.707 -19.175 -2.846 1.00 14.10 C ATOM 687 CD ARG A 43 -4.786 -20.505 -3.580 1.00 32.12 C ATOM 688 NE ARG A 43 -5.420 -20.372 -4.889 1.00 1.32 N ATOM 689 CZ ARG A 43 -5.676 -21.401 -5.689 1.00 33.45 C ATOM 690 NH1 ARG A 43 -5.355 -22.632 -5.316 1.00 30.35 N1+ ATOM 691 NH2 ARG A 43 -6.256 -21.199 -6.866 1.00 30.24 N ATOM 0 H ARG A 43 -1.651 -16.835 -2.622 1.00 14.45 H new ATOM 0 HA ARG A 43 -3.953 -17.472 -1.081 1.00 52.11 H new ATOM 0 HB2 ARG A 43 -3.013 -18.088 -3.571 1.00 73.21 H new ATOM 0 HB3 ARG A 43 -2.607 -19.565 -2.721 1.00 73.21 H new ATOM 0 HG2 ARG A 43 -5.155 -19.277 -1.858 1.00 14.10 H new ATOM 0 HG3 ARG A 43 -5.288 -18.426 -3.384 1.00 14.10 H new ATOM 0 HD2 ARG A 43 -3.782 -20.911 -3.703 1.00 32.12 H new ATOM 0 HD3 ARG A 43 -5.347 -21.219 -2.977 1.00 32.12 H new ATOM 0 HE ARG A 43 -5.680 -19.438 -5.206 1.00 1.32 H new ATOM 0 HH11 ARG A 43 -4.910 -22.791 -4.412 1.00 30.35 H new ATOM 0 HH12 ARG A 43 -5.553 -23.420 -5.933 1.00 30.35 H new ATOM 0 HH21 ARG A 43 -6.505 -20.253 -7.156 1.00 30.24 H new ATOM 0 HH22 ARG A 43 -6.452 -21.989 -7.480 1.00 30.24 H new ATOM 705 N PHE A 44 -1.131 -18.875 -0.256 1.00 63.45 N ATOM 706 CA PHE A 44 -0.473 -19.714 0.739 1.00 23.34 C ATOM 707 C PHE A 44 -0.100 -18.899 1.975 1.00 25.01 C ATOM 708 O PHE A 44 0.861 -19.218 2.675 1.00 61.41 O ATOM 709 CB PHE A 44 0.780 -20.361 0.145 1.00 72.23 C ATOM 710 CG PHE A 44 0.496 -21.617 -0.627 1.00 73.35 C ATOM 711 CD1 PHE A 44 -0.053 -22.724 0.001 1.00 31.31 C ATOM 712 CD2 PHE A 44 0.775 -21.692 -1.982 1.00 21.11 C ATOM 713 CE1 PHE A 44 -0.315 -23.882 -0.708 1.00 5.42 C ATOM 714 CE2 PHE A 44 0.515 -22.847 -2.697 1.00 24.15 C ATOM 715 CZ PHE A 44 -0.031 -23.943 -2.058 1.00 13.02 C ATOM 0 H PHE A 44 -0.493 -18.358 -0.860 1.00 63.45 H new ATOM 0 HA PHE A 44 -1.171 -20.497 1.037 1.00 23.34 H new ATOM 0 HB2 PHE A 44 1.273 -19.644 -0.511 1.00 72.23 H new ATOM 0 HB3 PHE A 44 1.478 -20.589 0.950 1.00 72.23 H new ATOM 0 HD1 PHE A 44 -0.279 -22.682 1.056 1.00 31.31 H new ATOM 0 HD2 PHE A 44 1.201 -20.837 -2.487 1.00 21.11 H new ATOM 0 HE1 PHE A 44 -0.741 -24.738 -0.206 1.00 5.42 H new ATOM 0 HE2 PHE A 44 0.738 -22.892 -3.753 1.00 24.15 H new ATOM 0 HZ PHE A 44 -0.236 -24.846 -2.613 1.00 13.02 H new ATOM 725 N ALA A 45 -0.868 -17.846 2.236 1.00 4.21 N ATOM 726 CA ALA A 45 -0.620 -16.986 3.386 1.00 65.31 C ATOM 727 C ALA A 45 0.728 -16.283 3.267 1.00 11.41 C ATOM 728 O ALA A 45 1.302 -15.845 4.263 1.00 5.14 O ATOM 729 CB ALA A 45 -0.682 -17.796 4.674 1.00 53.22 C ATOM 0 H ALA A 45 -1.667 -17.568 1.666 1.00 4.21 H new ATOM 0 HA ALA A 45 -1.397 -16.222 3.411 1.00 65.31 H new ATOM 0 HB1 ALA A 45 -0.495 -17.141 5.525 1.00 53.22 H new ATOM 0 HB2 ALA A 45 -1.669 -18.247 4.773 1.00 53.22 H new ATOM 0 HB3 ALA A 45 0.074 -18.581 4.647 1.00 53.22 H new ATOM 735 N VAL A 46 1.228 -16.178 2.039 1.00 41.05 N ATOM 736 CA VAL A 46 2.509 -15.528 1.789 1.00 31.11 C ATOM 737 C VAL A 46 2.337 -14.302 0.898 1.00 3.25 C ATOM 738 O VAL A 46 1.956 -14.416 -0.265 1.00 33.13 O ATOM 739 CB VAL A 46 3.509 -16.494 1.126 1.00 35.14 C ATOM 740 CG1 VAL A 46 4.823 -15.785 0.834 1.00 32.11 C ATOM 741 CG2 VAL A 46 3.736 -17.712 2.008 1.00 74.32 C ATOM 0 H VAL A 46 0.765 -16.535 1.203 1.00 41.05 H new ATOM 0 HA VAL A 46 2.902 -15.219 2.758 1.00 31.11 H new ATOM 0 HB VAL A 46 3.088 -16.832 0.179 1.00 35.14 H new ATOM 0 HG11 VAL A 46 5.517 -16.483 0.366 1.00 32.11 H new ATOM 0 HG12 VAL A 46 4.642 -14.947 0.161 1.00 32.11 H new ATOM 0 HG13 VAL A 46 5.252 -15.416 1.766 1.00 32.11 H new ATOM 0 HG21 VAL A 46 4.445 -18.384 1.525 1.00 74.32 H new ATOM 0 HG22 VAL A 46 4.136 -17.394 2.971 1.00 74.32 H new ATOM 0 HG23 VAL A 46 2.790 -18.232 2.161 1.00 74.32 H new ATOM 751 N ASN A 47 2.622 -13.129 1.455 1.00 42.53 N ATOM 752 CA ASN A 47 2.500 -11.881 0.711 1.00 10.10 C ATOM 753 C ASN A 47 3.470 -11.851 -0.466 1.00 2.00 C ATOM 754 O ASN A 47 4.589 -12.358 -0.393 1.00 23.11 O ATOM 755 CB ASN A 47 2.762 -10.687 1.632 1.00 31.51 C ATOM 756 CG ASN A 47 1.491 -10.165 2.276 1.00 15.43 C ATOM 757 OD1 ASN A 47 0.994 -9.098 1.916 1.00 31.31 O ATOM 758 ND2 ASN A 47 0.962 -10.916 3.234 1.00 74.11 N ATOM 0 H ASN A 47 2.939 -13.017 2.418 1.00 42.53 H new ATOM 0 HA ASN A 47 1.484 -11.817 0.322 1.00 10.10 H new ATOM 0 HB2 ASN A 47 3.467 -10.979 2.410 1.00 31.51 H new ATOM 0 HB3 ASN A 47 3.232 -9.887 1.060 1.00 31.51 H new ATOM 0 HD21 ASN A 47 0.108 -10.616 3.705 1.00 74.11 H new ATOM 0 HD22 ASN A 47 1.409 -11.794 3.499 1.00 74.11 H new ATOM 765 N PRO A 48 3.032 -11.243 -1.578 1.00 12.35 N ATOM 766 CA PRO A 48 3.846 -11.130 -2.792 1.00 42.22 C ATOM 767 C PRO A 48 5.023 -10.176 -2.615 1.00 61.11 C ATOM 768 O PRO A 48 5.933 -10.137 -3.442 1.00 74.35 O ATOM 769 CB PRO A 48 2.864 -10.580 -3.829 1.00 33.41 C ATOM 770 CG PRO A 48 1.833 -9.859 -3.029 1.00 41.14 C ATOM 771 CD PRO A 48 1.709 -10.616 -1.735 1.00 13.42 C ATOM 0 HA PRO A 48 4.293 -12.084 -3.072 1.00 42.22 H new ATOM 0 HB2 PRO A 48 3.362 -9.910 -4.529 1.00 33.41 H new ATOM 0 HB3 PRO A 48 2.419 -11.382 -4.417 1.00 33.41 H new ATOM 0 HG2 PRO A 48 2.130 -8.826 -2.850 1.00 41.14 H new ATOM 0 HG3 PRO A 48 0.880 -9.829 -3.557 1.00 41.14 H new ATOM 0 HD2 PRO A 48 1.478 -9.952 -0.902 1.00 13.42 H new ATOM 0 HD3 PRO A 48 0.914 -11.361 -1.780 1.00 13.42 H new ATOM 779 N GLY A 49 4.998 -9.408 -1.530 1.00 12.11 N ATOM 780 CA GLY A 49 6.068 -8.464 -1.265 1.00 64.15 C ATOM 781 C GLY A 49 7.388 -9.152 -0.974 1.00 74.22 C ATOM 782 O GLY A 49 8.437 -8.508 -0.936 1.00 13.43 O ATOM 0 H GLY A 49 4.256 -9.423 -0.830 1.00 12.11 H new ATOM 0 HA2 GLY A 49 6.187 -7.804 -2.124 1.00 64.15 H new ATOM 0 HA3 GLY A 49 5.794 -7.837 -0.417 1.00 64.15 H new ATOM 786 N LEU A 50 7.337 -10.463 -0.768 1.00 63.44 N ATOM 787 CA LEU A 50 8.537 -11.239 -0.478 1.00 65.24 C ATOM 788 C LEU A 50 9.348 -11.485 -1.746 1.00 13.40 C ATOM 789 O LEU A 50 10.556 -11.720 -1.689 1.00 13.34 O ATOM 790 CB LEU A 50 8.162 -12.575 0.167 1.00 10.53 C ATOM 791 CG LEU A 50 7.292 -12.493 1.422 1.00 32.34 C ATOM 792 CD1 LEU A 50 7.094 -13.875 2.026 1.00 53.43 C ATOM 793 CD2 LEU A 50 7.912 -11.548 2.441 1.00 11.50 C ATOM 0 H LEU A 50 6.477 -11.011 -0.796 1.00 63.44 H new ATOM 0 HA LEU A 50 9.150 -10.665 0.217 1.00 65.24 H new ATOM 0 HB2 LEU A 50 7.639 -13.180 -0.574 1.00 10.53 H new ATOM 0 HB3 LEU A 50 9.081 -13.104 0.420 1.00 10.53 H new ATOM 0 HG LEU A 50 6.316 -12.099 1.138 1.00 32.34 H new ATOM 0 HD11 LEU A 50 6.473 -13.797 2.918 1.00 53.43 H new ATOM 0 HD12 LEU A 50 6.605 -14.523 1.299 1.00 53.43 H new ATOM 0 HD13 LEU A 50 8.063 -14.297 2.295 1.00 53.43 H new ATOM 0 HD21 LEU A 50 7.279 -11.502 3.327 1.00 11.50 H new ATOM 0 HD22 LEU A 50 8.901 -11.912 2.720 1.00 11.50 H new ATOM 0 HD23 LEU A 50 8.001 -10.552 2.007 1.00 11.50 H new ATOM 805 N LEU A 51 8.676 -11.426 -2.892 1.00 63.34 N ATOM 806 CA LEU A 51 9.334 -11.639 -4.176 1.00 21.21 C ATOM 807 C LEU A 51 10.101 -10.394 -4.609 1.00 33.40 C ATOM 808 O LEU A 51 11.010 -10.469 -5.433 1.00 53.42 O ATOM 809 CB LEU A 51 8.304 -12.015 -5.243 1.00 21.25 C ATOM 810 CG LEU A 51 7.725 -13.427 -5.149 1.00 23.34 C ATOM 811 CD1 LEU A 51 6.611 -13.616 -6.168 1.00 4.20 C ATOM 812 CD2 LEU A 51 8.817 -14.466 -5.350 1.00 61.11 C ATOM 0 H LEU A 51 7.677 -11.233 -2.957 1.00 63.34 H new ATOM 0 HA LEU A 51 10.044 -12.458 -4.061 1.00 21.21 H new ATOM 0 HB2 LEU A 51 7.481 -11.302 -5.192 1.00 21.25 H new ATOM 0 HB3 LEU A 51 8.767 -11.898 -6.223 1.00 21.25 H new ATOM 0 HG LEU A 51 7.304 -13.561 -4.152 1.00 23.34 H new ATOM 0 HD11 LEU A 51 6.211 -14.627 -6.086 1.00 4.20 H new ATOM 0 HD12 LEU A 51 5.817 -12.895 -5.977 1.00 4.20 H new ATOM 0 HD13 LEU A 51 7.006 -13.462 -7.172 1.00 4.20 H new ATOM 0 HD21 LEU A 51 8.386 -15.465 -5.280 1.00 61.11 H new ATOM 0 HD22 LEU A 51 9.268 -14.334 -6.333 1.00 61.11 H new ATOM 0 HD23 LEU A 51 9.580 -14.345 -4.581 1.00 61.11 H new ATOM 824 N GLU A 52 9.726 -9.249 -4.045 1.00 10.10 N ATOM 825 CA GLU A 52 10.380 -7.987 -4.373 1.00 72.03 C ATOM 826 C GLU A 52 11.475 -7.664 -3.361 1.00 13.44 C ATOM 827 O GLU A 52 11.861 -6.506 -3.195 1.00 62.42 O ATOM 828 CB GLU A 52 9.355 -6.852 -4.412 1.00 3.34 C ATOM 829 CG GLU A 52 8.717 -6.560 -3.064 1.00 51.43 C ATOM 830 CD GLU A 52 8.034 -5.207 -3.023 1.00 31.31 C ATOM 831 OE1 GLU A 52 8.747 -4.182 -3.008 1.00 31.42 O1- ATOM 832 OE2 GLU A 52 6.785 -5.174 -3.006 1.00 65.25 O ATOM 0 H GLU A 52 8.974 -9.170 -3.360 1.00 10.10 H new ATOM 0 HA GLU A 52 10.837 -8.088 -5.357 1.00 72.03 H new ATOM 0 HB2 GLU A 52 9.841 -5.948 -4.778 1.00 3.34 H new ATOM 0 HB3 GLU A 52 8.573 -7.105 -5.127 1.00 3.34 H new ATOM 0 HG2 GLU A 52 7.988 -7.338 -2.835 1.00 51.43 H new ATOM 0 HG3 GLU A 52 9.481 -6.601 -2.288 1.00 51.43 H new ATOM 839 N THR A 53 11.974 -8.695 -2.687 1.00 72.03 N ATOM 840 CA THR A 53 13.024 -8.522 -1.691 1.00 31.42 C ATOM 841 C THR A 53 13.948 -9.733 -1.651 1.00 44.41 C ATOM 842 O THR A 53 13.516 -10.847 -1.357 1.00 21.14 O ATOM 843 CB THR A 53 12.433 -8.295 -0.286 1.00 73.50 C ATOM 844 OG1 THR A 53 13.467 -8.382 0.700 1.00 74.33 O ATOM 845 CG2 THR A 53 11.348 -9.318 0.016 1.00 24.42 C ATOM 0 H THR A 53 11.668 -9.660 -2.813 1.00 72.03 H new ATOM 0 HA THR A 53 13.596 -7.641 -1.984 1.00 31.42 H new ATOM 0 HB THR A 53 11.989 -7.300 -0.258 1.00 73.50 H new ATOM 0 HG1 THR A 53 13.120 -8.080 1.565 1.00 74.33 H new ATOM 0 HG21 THR A 53 10.946 -9.138 1.013 1.00 24.42 H new ATOM 0 HG22 THR A 53 10.549 -9.228 -0.720 1.00 24.42 H new ATOM 0 HG23 THR A 53 11.771 -10.321 -0.029 1.00 24.42 H new ATOM 853 N SER A 54 15.225 -9.506 -1.947 1.00 62.12 N ATOM 854 CA SER A 54 16.212 -10.580 -1.947 1.00 75.25 C ATOM 855 C SER A 54 16.299 -11.238 -0.574 1.00 2.35 C ATOM 856 O SER A 54 16.752 -12.375 -0.447 1.00 32.33 O ATOM 857 CB SER A 54 17.583 -10.041 -2.357 1.00 24.40 C ATOM 858 OG SER A 54 18.410 -9.840 -1.223 1.00 63.25 O ATOM 0 H SER A 54 15.600 -8.589 -2.190 1.00 62.12 H new ATOM 0 HA SER A 54 15.895 -11.332 -2.670 1.00 75.25 H new ATOM 0 HB2 SER A 54 18.063 -10.740 -3.042 1.00 24.40 H new ATOM 0 HB3 SER A 54 17.462 -9.101 -2.895 1.00 24.40 H new ATOM 0 HG SER A 54 19.282 -9.497 -1.511 1.00 63.25 H new ATOM 864 N GLU A 55 15.863 -10.513 0.452 1.00 13.15 N ATOM 865 CA GLU A 55 15.894 -11.025 1.817 1.00 53.12 C ATOM 866 C GLU A 55 14.598 -11.758 2.151 1.00 24.23 C ATOM 867 O GLU A 55 14.616 -12.916 2.567 1.00 13.52 O ATOM 868 CB GLU A 55 16.118 -9.882 2.809 1.00 34.40 C ATOM 869 CG GLU A 55 16.782 -10.321 4.103 1.00 42.13 C ATOM 870 CD GLU A 55 17.676 -9.248 4.694 1.00 73.14 C ATOM 871 OE1 GLU A 55 17.450 -8.057 4.393 1.00 24.11 O ATOM 872 OE2 GLU A 55 18.602 -9.599 5.456 1.00 55.51 O1- ATOM 0 H GLU A 55 15.484 -9.570 0.364 1.00 13.15 H new ATOM 0 HA GLU A 55 16.721 -11.731 1.896 1.00 53.12 H new ATOM 0 HB2 GLU A 55 16.734 -9.117 2.336 1.00 34.40 H new ATOM 0 HB3 GLU A 55 15.158 -9.420 3.041 1.00 34.40 H new ATOM 0 HG2 GLU A 55 16.014 -10.589 4.828 1.00 42.13 H new ATOM 0 HG3 GLU A 55 17.372 -11.219 3.918 1.00 42.13 H new ATOM 879 N GLY A 56 13.473 -11.072 1.969 1.00 54.13 N ATOM 880 CA GLY A 56 12.183 -11.672 2.257 1.00 64.13 C ATOM 881 C GLY A 56 11.935 -12.929 1.446 1.00 70.42 C ATOM 882 O GLY A 56 11.088 -13.749 1.804 1.00 40.04 O ATOM 0 H GLY A 56 13.432 -10.112 1.627 1.00 54.13 H new ATOM 0 HA2 GLY A 56 12.126 -11.911 3.319 1.00 64.13 H new ATOM 0 HA3 GLY A 56 11.395 -10.948 2.050 1.00 64.13 H new ATOM 886 N CYS A 57 12.671 -13.080 0.352 1.00 11.22 N ATOM 887 CA CYS A 57 12.524 -14.245 -0.514 1.00 12.20 C ATOM 888 C CYS A 57 13.026 -15.506 0.182 1.00 45.10 C ATOM 889 O CYS A 57 12.397 -16.561 0.106 1.00 73.21 O ATOM 890 CB CYS A 57 13.286 -14.033 -1.822 1.00 53.45 C ATOM 891 SG CYS A 57 12.234 -14.006 -3.293 1.00 75.34 S ATOM 0 H CYS A 57 13.376 -12.411 0.043 1.00 11.22 H new ATOM 0 HA CYS A 57 11.464 -14.371 -0.736 1.00 12.20 H new ATOM 0 HB2 CYS A 57 13.834 -13.092 -1.763 1.00 53.45 H new ATOM 0 HB3 CYS A 57 14.026 -14.826 -1.932 1.00 53.45 H new ATOM 0 HG CYS A 57 12.969 -13.819 -4.349 1.00 75.34 H new ATOM 897 N ARG A 58 14.164 -15.389 0.859 1.00 52.33 N ATOM 898 CA ARG A 58 14.752 -16.520 1.566 1.00 41.42 C ATOM 899 C ARG A 58 13.730 -17.174 2.491 1.00 10.32 C ATOM 900 O ARG A 58 13.789 -18.377 2.745 1.00 54.21 O ATOM 901 CB ARG A 58 15.971 -16.068 2.373 1.00 13.23 C ATOM 902 CG ARG A 58 17.246 -16.817 2.021 1.00 4.23 C ATOM 903 CD ARG A 58 17.701 -17.707 3.167 1.00 40.24 C ATOM 904 NE ARG A 58 17.017 -18.997 3.161 1.00 63.44 N ATOM 905 CZ ARG A 58 16.976 -19.812 4.211 1.00 51.11 C ATOM 906 NH1 ARG A 58 17.576 -19.472 5.342 1.00 3.43 N1+ ATOM 907 NH2 ARG A 58 16.332 -20.969 4.128 1.00 61.41 N ATOM 0 H ARG A 58 14.697 -14.522 0.933 1.00 52.33 H new ATOM 0 HA ARG A 58 15.068 -17.254 0.825 1.00 41.42 H new ATOM 0 HB2 ARG A 58 16.129 -15.002 2.210 1.00 13.23 H new ATOM 0 HB3 ARG A 58 15.763 -16.201 3.435 1.00 13.23 H new ATOM 0 HG2 ARG A 58 17.079 -17.424 1.131 1.00 4.23 H new ATOM 0 HG3 ARG A 58 18.033 -16.104 1.778 1.00 4.23 H new ATOM 0 HD2 ARG A 58 18.777 -17.867 3.097 1.00 40.24 H new ATOM 0 HD3 ARG A 58 17.514 -17.202 4.115 1.00 40.24 H new ATOM 0 HE ARG A 58 16.545 -19.289 2.305 1.00 63.44 H new ATOM 0 HH11 ARG A 58 18.071 -18.583 5.409 1.00 3.43 H new ATOM 0 HH12 ARG A 58 17.543 -20.099 6.146 1.00 3.43 H new ATOM 0 HH21 ARG A 58 15.868 -21.233 3.259 1.00 61.41 H new ATOM 0 HH22 ARG A 58 16.301 -21.594 4.933 1.00 61.41 H new ATOM 921 N GLN A 59 12.796 -16.373 2.992 1.00 41.31 N ATOM 922 CA GLN A 59 11.763 -16.874 3.890 1.00 20.25 C ATOM 923 C GLN A 59 10.813 -17.816 3.157 1.00 11.11 C ATOM 924 O GLN A 59 10.346 -18.804 3.722 1.00 64.34 O ATOM 925 CB GLN A 59 10.977 -15.710 4.497 1.00 3.22 C ATOM 926 CG GLN A 59 11.416 -15.349 5.907 1.00 42.10 C ATOM 927 CD GLN A 59 10.247 -15.051 6.825 1.00 41.43 C ATOM 928 OE1 GLN A 59 10.087 -13.927 7.302 1.00 1.50 O ATOM 929 NE2 GLN A 59 9.421 -16.060 7.078 1.00 13.43 N ATOM 0 H GLN A 59 12.733 -15.375 2.791 1.00 41.31 H new ATOM 0 HA GLN A 59 12.252 -17.430 4.690 1.00 20.25 H new ATOM 0 HB2 GLN A 59 11.087 -14.835 3.856 1.00 3.22 H new ATOM 0 HB3 GLN A 59 9.917 -15.965 4.509 1.00 3.22 H new ATOM 0 HG2 GLN A 59 11.999 -16.170 6.323 1.00 42.10 H new ATOM 0 HG3 GLN A 59 12.073 -14.480 5.867 1.00 42.10 H new ATOM 0 HE21 GLN A 59 9.591 -16.975 6.661 1.00 13.43 H new ATOM 0 HE22 GLN A 59 8.616 -15.919 7.689 1.00 13.43 H new ATOM 938 N ILE A 60 10.534 -17.501 1.897 1.00 72.53 N ATOM 939 CA ILE A 60 9.640 -18.321 1.086 1.00 4.33 C ATOM 940 C ILE A 60 10.238 -19.701 0.833 1.00 5.25 C ATOM 941 O ILE A 60 9.687 -20.716 1.259 1.00 44.24 O ATOM 942 CB ILE A 60 9.333 -17.651 -0.266 1.00 1.43 C ATOM 943 CG1 ILE A 60 8.771 -16.244 -0.047 1.00 2.32 C ATOM 944 CG2 ILE A 60 8.358 -18.498 -1.068 1.00 33.11 C ATOM 945 CD1 ILE A 60 8.690 -15.422 -1.314 1.00 33.32 C ATOM 0 H ILE A 60 10.913 -16.686 1.415 1.00 72.53 H new ATOM 0 HA ILE A 60 8.712 -18.427 1.648 1.00 4.33 H new ATOM 0 HB ILE A 60 10.261 -17.567 -0.832 1.00 1.43 H new ATOM 0 HG12 ILE A 60 7.775 -16.323 0.389 1.00 2.32 H new ATOM 0 HG13 ILE A 60 9.396 -15.721 0.677 1.00 2.32 H new ATOM 0 HG21 ILE A 60 8.151 -18.011 -2.021 1.00 33.11 H new ATOM 0 HG22 ILE A 60 8.794 -19.480 -1.250 1.00 33.11 H new ATOM 0 HG23 ILE A 60 7.429 -18.611 -0.509 1.00 33.11 H new ATOM 0 HD11 ILE A 60 8.283 -14.437 -1.084 1.00 33.32 H new ATOM 0 HD12 ILE A 60 9.687 -15.312 -1.741 1.00 33.32 H new ATOM 0 HD13 ILE A 60 8.041 -15.924 -2.032 1.00 33.32 H new ATOM 957 N LEU A 61 11.371 -19.729 0.139 1.00 2.21 N ATOM 958 CA LEU A 61 12.047 -20.984 -0.171 1.00 63.54 C ATOM 959 C LEU A 61 12.271 -21.808 1.094 1.00 61.03 C ATOM 960 O LEU A 61 12.306 -23.037 1.048 1.00 1.21 O ATOM 961 CB LEU A 61 13.385 -20.711 -0.858 1.00 12.42 C ATOM 962 CG LEU A 61 13.327 -19.857 -2.125 1.00 33.35 C ATOM 963 CD1 LEU A 61 14.689 -19.250 -2.424 1.00 70.31 C ATOM 964 CD2 LEU A 61 12.839 -20.685 -3.305 1.00 4.32 C ATOM 0 H LEU A 61 11.840 -18.897 -0.219 1.00 2.21 H new ATOM 0 HA LEU A 61 11.409 -21.554 -0.847 1.00 63.54 H new ATOM 0 HB2 LEU A 61 14.044 -20.220 -0.143 1.00 12.42 H new ATOM 0 HB3 LEU A 61 13.843 -21.667 -1.109 1.00 12.42 H new ATOM 0 HG LEU A 61 12.619 -19.045 -1.959 1.00 33.35 H new ATOM 0 HD11 LEU A 61 14.627 -18.646 -3.329 1.00 70.31 H new ATOM 0 HD12 LEU A 61 14.999 -18.622 -1.589 1.00 70.31 H new ATOM 0 HD13 LEU A 61 15.419 -20.047 -2.569 1.00 70.31 H new ATOM 0 HD21 LEU A 61 12.804 -20.061 -4.198 1.00 4.32 H new ATOM 0 HD22 LEU A 61 13.521 -21.519 -3.471 1.00 4.32 H new ATOM 0 HD23 LEU A 61 11.842 -21.070 -3.092 1.00 4.32 H new ATOM 976 N GLY A 62 12.420 -21.121 2.223 1.00 73.34 N ATOM 977 CA GLY A 62 12.636 -21.805 3.484 1.00 63.13 C ATOM 978 C GLY A 62 11.441 -22.638 3.904 1.00 25.32 C ATOM 979 O GLY A 62 11.592 -23.653 4.583 1.00 23.34 O ATOM 0 H GLY A 62 12.395 -20.103 2.286 1.00 73.34 H new ATOM 0 HA2 GLY A 62 13.512 -22.448 3.399 1.00 63.13 H new ATOM 0 HA3 GLY A 62 12.854 -21.071 4.260 1.00 63.13 H new ATOM 983 N GLN A 63 10.250 -22.206 3.502 1.00 70.14 N ATOM 984 CA GLN A 63 9.025 -22.918 3.844 1.00 33.41 C ATOM 985 C GLN A 63 8.560 -23.792 2.683 1.00 13.12 C ATOM 986 O GLN A 63 7.878 -24.798 2.883 1.00 1.34 O ATOM 987 CB GLN A 63 7.923 -21.928 4.225 1.00 10.53 C ATOM 988 CG GLN A 63 7.949 -21.522 5.690 1.00 51.20 C ATOM 989 CD GLN A 63 6.561 -21.306 6.259 1.00 24.33 C ATOM 990 OE1 GLN A 63 5.959 -22.222 6.821 1.00 70.41 O ATOM 991 NE2 GLN A 63 6.045 -20.091 6.118 1.00 22.13 N ATOM 0 H GLN A 63 10.108 -21.367 2.940 1.00 70.14 H new ATOM 0 HA GLN A 63 9.236 -23.562 4.698 1.00 33.41 H new ATOM 0 HB2 GLN A 63 8.019 -21.035 3.607 1.00 10.53 H new ATOM 0 HB3 GLN A 63 6.954 -22.371 3.997 1.00 10.53 H new ATOM 0 HG2 GLN A 63 8.459 -22.293 6.268 1.00 51.20 H new ATOM 0 HG3 GLN A 63 8.529 -20.606 5.799 1.00 51.20 H new ATOM 0 HE21 GLN A 63 6.579 -19.362 5.645 1.00 22.13 H new ATOM 0 HE22 GLN A 63 5.114 -19.887 6.482 1.00 22.13 H new ATOM 1000 N LEU A 64 8.932 -23.401 1.470 1.00 0.31 N ATOM 1001 CA LEU A 64 8.554 -24.148 0.275 1.00 3.10 C ATOM 1002 C LEU A 64 9.483 -25.339 0.060 1.00 22.14 C ATOM 1003 O LEU A 64 9.100 -26.333 -0.555 1.00 33.24 O ATOM 1004 CB LEU A 64 8.584 -23.236 -0.952 1.00 14.43 C ATOM 1005 CG LEU A 64 7.269 -22.536 -1.301 1.00 61.10 C ATOM 1006 CD1 LEU A 64 7.479 -21.538 -2.428 1.00 55.11 C ATOM 1007 CD2 LEU A 64 6.207 -23.557 -1.680 1.00 72.35 C ATOM 0 H LEU A 64 9.495 -22.571 1.287 1.00 0.31 H new ATOM 0 HA LEU A 64 7.540 -24.522 0.417 1.00 3.10 H new ATOM 0 HB2 LEU A 64 9.347 -22.474 -0.795 1.00 14.43 H new ATOM 0 HB3 LEU A 64 8.897 -23.828 -1.812 1.00 14.43 H new ATOM 0 HG LEU A 64 6.924 -21.992 -0.422 1.00 61.10 H new ATOM 0 HD11 LEU A 64 6.533 -21.050 -2.663 1.00 55.11 H new ATOM 0 HD12 LEU A 64 8.207 -20.788 -2.119 1.00 55.11 H new ATOM 0 HD13 LEU A 64 7.847 -22.059 -3.312 1.00 55.11 H new ATOM 0 HD21 LEU A 64 5.278 -23.042 -1.925 1.00 72.35 H new ATOM 0 HD22 LEU A 64 6.544 -24.129 -2.545 1.00 72.35 H new ATOM 0 HD23 LEU A 64 6.037 -24.233 -0.842 1.00 72.35 H new ATOM 1019 N GLN A 65 10.704 -25.230 0.573 1.00 23.41 N ATOM 1020 CA GLN A 65 11.687 -26.298 0.439 1.00 41.14 C ATOM 1021 C GLN A 65 11.108 -27.631 0.901 1.00 65.22 C ATOM 1022 O GLN A 65 10.994 -28.587 0.132 1.00 34.12 O ATOM 1023 CB GLN A 65 12.945 -25.968 1.244 1.00 60.34 C ATOM 1024 CG GLN A 65 14.143 -25.608 0.381 1.00 72.32 C ATOM 1025 CD GLN A 65 15.408 -25.412 1.193 1.00 51.20 C ATOM 1026 OE1 GLN A 65 15.469 -24.552 2.072 1.00 35.01 O ATOM 1027 NE2 GLN A 65 16.428 -26.210 0.901 1.00 5.11 N ATOM 0 H GLN A 65 11.036 -24.413 1.085 1.00 23.41 H new ATOM 0 HA GLN A 65 11.952 -26.383 -0.615 1.00 41.14 H new ATOM 0 HB2 GLN A 65 12.729 -25.137 1.916 1.00 60.34 H new ATOM 0 HB3 GLN A 65 13.202 -26.824 1.868 1.00 60.34 H new ATOM 0 HG2 GLN A 65 14.306 -26.396 -0.355 1.00 72.32 H new ATOM 0 HG3 GLN A 65 13.926 -24.695 -0.173 1.00 72.32 H new ATOM 0 HE21 GLN A 65 16.334 -26.909 0.165 1.00 5.11 H new ATOM 0 HE22 GLN A 65 17.306 -26.124 1.413 1.00 5.11 H new ATOM 1036 N PRO A 66 10.733 -27.701 2.187 1.00 3.10 N ATOM 1037 CA PRO A 66 10.160 -28.912 2.781 1.00 43.23 C ATOM 1038 C PRO A 66 8.759 -29.208 2.255 1.00 42.14 C ATOM 1039 O PRO A 66 8.254 -30.321 2.401 1.00 41.12 O ATOM 1040 CB PRO A 66 10.112 -28.586 4.275 1.00 24.42 C ATOM 1041 CG PRO A 66 10.048 -27.099 4.338 1.00 75.45 C ATOM 1042 CD PRO A 66 10.841 -26.601 3.161 1.00 54.14 C ATOM 0 HA PRO A 66 10.747 -29.799 2.543 1.00 43.23 H new ATOM 0 HB2 PRO A 66 9.243 -29.040 4.751 1.00 24.42 H new ATOM 0 HB3 PRO A 66 10.993 -28.966 4.791 1.00 24.42 H new ATOM 0 HG2 PRO A 66 9.016 -26.750 4.289 1.00 75.45 H new ATOM 0 HG3 PRO A 66 10.466 -26.730 5.275 1.00 75.45 H new ATOM 0 HD2 PRO A 66 10.432 -25.672 2.765 1.00 54.14 H new ATOM 0 HD3 PRO A 66 11.879 -26.403 3.430 1.00 54.14 H new ATOM 1050 N SER A 67 8.138 -28.206 1.643 1.00 35.34 N ATOM 1051 CA SER A 67 6.794 -28.358 1.099 1.00 11.12 C ATOM 1052 C SER A 67 6.838 -28.988 -0.290 1.00 42.33 C ATOM 1053 O SER A 67 5.882 -29.634 -0.722 1.00 44.22 O ATOM 1054 CB SER A 67 6.091 -27.000 1.033 1.00 73.12 C ATOM 1055 OG SER A 67 4.717 -27.153 0.717 1.00 2.23 O ATOM 0 H SER A 67 8.544 -27.280 1.511 1.00 35.34 H new ATOM 0 HA SER A 67 6.233 -29.018 1.761 1.00 11.12 H new ATOM 0 HB2 SER A 67 6.193 -26.487 1.989 1.00 73.12 H new ATOM 0 HB3 SER A 67 6.573 -26.373 0.282 1.00 73.12 H new ATOM 0 HG SER A 67 4.326 -26.275 0.525 1.00 2.23 H new ATOM 1061 N LEU A 68 7.955 -28.796 -0.984 1.00 31.53 N ATOM 1062 CA LEU A 68 8.126 -29.345 -2.325 1.00 32.03 C ATOM 1063 C LEU A 68 7.822 -30.840 -2.343 1.00 53.21 C ATOM 1064 O LEU A 68 7.370 -31.378 -3.354 1.00 21.05 O ATOM 1065 CB LEU A 68 9.551 -29.096 -2.821 1.00 71.04 C ATOM 1066 CG LEU A 68 9.855 -27.678 -3.304 1.00 51.52 C ATOM 1067 CD1 LEU A 68 11.306 -27.319 -3.028 1.00 64.22 C ATOM 1068 CD2 LEU A 68 9.544 -27.542 -4.789 1.00 63.04 C ATOM 0 H LEU A 68 8.755 -28.265 -0.641 1.00 31.53 H new ATOM 0 HA LEU A 68 7.424 -28.842 -2.990 1.00 32.03 H new ATOM 0 HB2 LEU A 68 10.243 -29.340 -2.015 1.00 71.04 H new ATOM 0 HB3 LEU A 68 9.756 -29.788 -3.637 1.00 71.04 H new ATOM 0 HG LEU A 68 9.219 -26.984 -2.754 1.00 51.52 H new ATOM 0 HD11 LEU A 68 11.503 -26.306 -3.379 1.00 64.22 H new ATOM 0 HD12 LEU A 68 11.497 -27.376 -1.956 1.00 64.22 H new ATOM 0 HD13 LEU A 68 11.959 -28.018 -3.551 1.00 64.22 H new ATOM 0 HD21 LEU A 68 9.766 -26.526 -5.116 1.00 63.04 H new ATOM 0 HD22 LEU A 68 10.154 -28.247 -5.354 1.00 63.04 H new ATOM 0 HD23 LEU A 68 8.489 -27.756 -4.961 1.00 63.04 H new ATOM 1080 N GLN A 69 8.072 -31.503 -1.219 1.00 73.11 N ATOM 1081 CA GLN A 69 7.824 -32.936 -1.107 1.00 2.12 C ATOM 1082 C GLN A 69 6.397 -33.206 -0.641 1.00 64.34 C ATOM 1083 O GLN A 69 5.759 -34.163 -1.080 1.00 55.23 O ATOM 1084 CB GLN A 69 8.820 -33.573 -0.137 1.00 60.42 C ATOM 1085 CG GLN A 69 8.809 -35.093 -0.164 1.00 11.40 C ATOM 1086 CD GLN A 69 10.065 -35.675 -0.784 1.00 32.24 C ATOM 1087 OE1 GLN A 69 11.177 -35.403 -0.332 1.00 22.44 O ATOM 1088 NE2 GLN A 69 9.892 -36.481 -1.824 1.00 13.32 N ATOM 0 H GLN A 69 8.446 -31.072 -0.374 1.00 73.11 H new ATOM 0 HA GLN A 69 7.955 -33.381 -2.094 1.00 2.12 H new ATOM 0 HB2 GLN A 69 9.823 -33.221 -0.377 1.00 60.42 H new ATOM 0 HB3 GLN A 69 8.596 -33.234 0.875 1.00 60.42 H new ATOM 0 HG2 GLN A 69 8.702 -35.470 0.853 1.00 11.40 H new ATOM 0 HG3 GLN A 69 7.939 -35.436 -0.724 1.00 11.40 H new ATOM 0 HE21 GLN A 69 8.951 -36.679 -2.165 1.00 13.32 H new ATOM 0 HE22 GLN A 69 10.700 -36.903 -2.282 1.00 13.32 H new ATOM 1097 N THR A 70 5.902 -32.357 0.255 1.00 54.40 N ATOM 1098 CA THR A 70 4.551 -32.505 0.783 1.00 54.23 C ATOM 1099 C THR A 70 3.514 -32.425 -0.332 1.00 34.40 C ATOM 1100 O THR A 70 2.737 -33.357 -0.538 1.00 3.14 O ATOM 1101 CB THR A 70 4.239 -31.426 1.837 1.00 74.14 C ATOM 1102 OG1 THR A 70 5.401 -31.170 2.633 1.00 3.35 O ATOM 1103 CG2 THR A 70 3.090 -31.863 2.733 1.00 34.23 C ATOM 0 H THR A 70 6.416 -31.560 0.630 1.00 54.40 H new ATOM 0 HA THR A 70 4.501 -33.487 1.253 1.00 54.23 H new ATOM 0 HB THR A 70 3.947 -30.513 1.317 1.00 74.14 H new ATOM 0 HG1 THR A 70 5.196 -30.482 3.300 1.00 3.35 H new ATOM 0 HG21 THR A 70 2.887 -31.086 3.470 1.00 34.23 H new ATOM 0 HG22 THR A 70 2.199 -32.030 2.127 1.00 34.23 H new ATOM 0 HG23 THR A 70 3.359 -32.787 3.245 1.00 34.23 H new ATOM 1111 N GLY A 71 3.507 -31.305 -1.049 1.00 42.34 N ATOM 1112 CA GLY A 71 2.561 -31.126 -2.135 1.00 71.53 C ATOM 1113 C GLY A 71 3.198 -31.314 -3.497 1.00 30.52 C ATOM 1114 O GLY A 71 4.337 -31.769 -3.599 1.00 11.11 O ATOM 0 H GLY A 71 4.139 -30.519 -0.897 1.00 42.34 H new ATOM 0 HA2 GLY A 71 1.742 -31.836 -2.020 1.00 71.53 H new ATOM 0 HA3 GLY A 71 2.128 -30.127 -2.075 1.00 71.53 H new ATOM 1118 N SER A 72 2.461 -30.966 -4.546 1.00 13.24 N ATOM 1119 CA SER A 72 2.958 -31.104 -5.910 1.00 45.41 C ATOM 1120 C SER A 72 1.977 -30.503 -6.911 1.00 11.05 C ATOM 1121 O SER A 72 0.795 -30.332 -6.611 1.00 1.42 O ATOM 1122 CB SER A 72 3.202 -32.578 -6.240 1.00 72.21 C ATOM 1123 OG SER A 72 2.024 -33.191 -6.734 1.00 31.22 O ATOM 0 H SER A 72 1.517 -30.586 -4.478 1.00 13.24 H new ATOM 0 HA SER A 72 3.901 -30.561 -5.982 1.00 45.41 H new ATOM 0 HB2 SER A 72 3.997 -32.661 -6.981 1.00 72.21 H new ATOM 0 HB3 SER A 72 3.542 -33.103 -5.347 1.00 72.21 H new ATOM 0 HG SER A 72 2.206 -34.132 -6.939 1.00 31.22 H new ATOM 1129 N GLU A 73 2.476 -30.184 -8.101 1.00 32.43 N ATOM 1130 CA GLU A 73 1.642 -29.600 -9.147 1.00 22.31 C ATOM 1131 C GLU A 73 0.880 -28.388 -8.620 1.00 53.32 C ATOM 1132 O GLU A 73 -0.222 -28.089 -9.079 1.00 14.52 O ATOM 1133 CB GLU A 73 0.658 -30.641 -9.686 1.00 24.22 C ATOM 1134 CG GLU A 73 1.308 -31.694 -10.567 1.00 43.42 C ATOM 1135 CD GLU A 73 1.441 -31.246 -12.010 1.00 31.04 C ATOM 1136 OE1 GLU A 73 0.542 -30.526 -12.493 1.00 34.24 O1- ATOM 1137 OE2 GLU A 73 2.444 -31.615 -12.655 1.00 11.11 O ATOM 0 H GLU A 73 3.452 -30.320 -8.365 1.00 32.43 H new ATOM 0 HA GLU A 73 2.294 -29.274 -9.957 1.00 22.31 H new ATOM 0 HB2 GLU A 73 0.168 -31.134 -8.847 1.00 24.22 H new ATOM 0 HB3 GLU A 73 -0.120 -30.133 -10.256 1.00 24.22 H new ATOM 0 HG2 GLU A 73 2.295 -31.934 -10.172 1.00 43.42 H new ATOM 0 HG3 GLU A 73 0.718 -32.610 -10.528 1.00 43.42 H new ATOM 1144 N GLU A 74 1.474 -27.694 -7.655 1.00 44.15 N ATOM 1145 CA GLU A 74 0.851 -26.516 -7.065 1.00 75.12 C ATOM 1146 C GLU A 74 1.906 -25.545 -6.545 1.00 41.31 C ATOM 1147 O GLU A 74 1.790 -24.331 -6.720 1.00 71.51 O ATOM 1148 CB GLU A 74 -0.089 -26.923 -5.928 1.00 42.04 C ATOM 1149 CG GLU A 74 -1.251 -25.964 -5.727 1.00 63.45 C ATOM 1150 CD GLU A 74 -2.593 -26.670 -5.720 1.00 21.11 C ATOM 1151 OE1 GLU A 74 -2.963 -27.231 -4.667 1.00 2.15 O ATOM 1152 OE2 GLU A 74 -3.274 -26.661 -6.767 1.00 12.43 O1- ATOM 0 H GLU A 74 2.387 -27.928 -7.265 1.00 44.15 H new ATOM 0 HA GLU A 74 0.273 -26.015 -7.842 1.00 75.12 H new ATOM 0 HB2 GLU A 74 -0.482 -27.919 -6.131 1.00 42.04 H new ATOM 0 HB3 GLU A 74 0.482 -26.988 -5.002 1.00 42.04 H new ATOM 0 HG2 GLU A 74 -1.119 -25.432 -4.785 1.00 63.45 H new ATOM 0 HG3 GLU A 74 -1.242 -25.216 -6.520 1.00 63.45 H new ATOM 1159 N LEU A 75 2.936 -26.087 -5.903 1.00 54.31 N ATOM 1160 CA LEU A 75 4.012 -25.269 -5.357 1.00 5.21 C ATOM 1161 C LEU A 75 5.306 -25.479 -6.137 1.00 43.42 C ATOM 1162 O LEU A 75 6.219 -24.655 -6.078 1.00 71.13 O ATOM 1163 CB LEU A 75 4.235 -25.605 -3.881 1.00 65.30 C ATOM 1164 CG LEU A 75 5.173 -26.776 -3.593 1.00 65.34 C ATOM 1165 CD1 LEU A 75 5.441 -26.893 -2.100 1.00 13.23 C ATOM 1166 CD2 LEU A 75 4.589 -28.074 -4.134 1.00 12.13 C ATOM 0 H LEU A 75 3.048 -27.089 -5.748 1.00 54.31 H new ATOM 0 HA LEU A 75 3.720 -24.223 -5.447 1.00 5.21 H new ATOM 0 HB2 LEU A 75 4.629 -24.719 -3.383 1.00 65.30 H new ATOM 0 HB3 LEU A 75 3.267 -25.821 -3.428 1.00 65.30 H new ATOM 0 HG LEU A 75 6.121 -26.588 -4.098 1.00 65.34 H new ATOM 0 HD11 LEU A 75 6.111 -27.733 -1.915 1.00 13.23 H new ATOM 0 HD12 LEU A 75 5.903 -25.974 -1.740 1.00 13.23 H new ATOM 0 HD13 LEU A 75 4.501 -27.056 -1.573 1.00 13.23 H new ATOM 0 HD21 LEU A 75 5.271 -28.897 -3.920 1.00 12.13 H new ATOM 0 HD22 LEU A 75 3.627 -28.266 -3.658 1.00 12.13 H new ATOM 0 HD23 LEU A 75 4.450 -27.989 -5.212 1.00 12.13 H new ATOM 1178 N ARG A 76 5.376 -26.585 -6.870 1.00 53.15 N ATOM 1179 CA ARG A 76 6.558 -26.902 -7.664 1.00 74.11 C ATOM 1180 C ARG A 76 6.942 -25.727 -8.559 1.00 40.24 C ATOM 1181 O ARG A 76 8.103 -25.320 -8.601 1.00 60.33 O ATOM 1182 CB ARG A 76 6.305 -28.147 -8.517 1.00 15.52 C ATOM 1183 CG ARG A 76 6.801 -29.434 -7.879 1.00 12.42 C ATOM 1184 CD ARG A 76 7.343 -30.399 -8.922 1.00 73.41 C ATOM 1185 NE ARG A 76 7.128 -31.793 -8.540 1.00 13.01 N ATOM 1186 CZ ARG A 76 7.848 -32.421 -7.617 1.00 51.43 C ATOM 1187 NH1 ARG A 76 8.823 -31.784 -6.985 1.00 51.32 N1+ ATOM 1188 NH2 ARG A 76 7.593 -33.690 -7.326 1.00 32.44 N ATOM 0 H ARG A 76 4.629 -27.277 -6.931 1.00 53.15 H new ATOM 0 HA ARG A 76 7.384 -27.100 -6.980 1.00 74.11 H new ATOM 0 HB2 ARG A 76 5.235 -28.235 -8.708 1.00 15.52 H new ATOM 0 HB3 ARG A 76 6.792 -28.020 -9.484 1.00 15.52 H new ATOM 0 HG2 ARG A 76 7.581 -29.205 -7.153 1.00 12.42 H new ATOM 0 HG3 ARG A 76 5.986 -29.908 -7.332 1.00 12.42 H new ATOM 0 HD2 ARG A 76 6.860 -30.207 -9.880 1.00 73.41 H new ATOM 0 HD3 ARG A 76 8.409 -30.221 -9.061 1.00 73.41 H new ATOM 0 HE ARG A 76 6.385 -32.312 -9.007 1.00 13.01 H new ATOM 0 HH11 ARG A 76 9.023 -30.809 -7.207 1.00 51.32 H new ATOM 0 HH12 ARG A 76 9.374 -32.269 -6.277 1.00 51.32 H new ATOM 0 HH21 ARG A 76 6.844 -34.184 -7.811 1.00 32.44 H new ATOM 0 HH22 ARG A 76 8.146 -34.172 -6.617 1.00 32.44 H new ATOM 1202 N SER A 77 5.959 -25.189 -9.274 1.00 1.52 N ATOM 1203 CA SER A 77 6.196 -24.064 -10.173 1.00 23.41 C ATOM 1204 C SER A 77 6.668 -22.839 -9.395 1.00 13.02 C ATOM 1205 O SER A 77 7.466 -22.042 -9.893 1.00 70.22 O ATOM 1206 CB SER A 77 4.923 -23.728 -10.951 1.00 70.44 C ATOM 1207 OG SER A 77 4.934 -24.333 -12.232 1.00 1.22 O ATOM 0 H SER A 77 4.992 -25.513 -9.249 1.00 1.52 H new ATOM 0 HA SER A 77 6.978 -24.351 -10.877 1.00 23.41 H new ATOM 0 HB2 SER A 77 4.051 -24.068 -10.392 1.00 70.44 H new ATOM 0 HB3 SER A 77 4.832 -22.647 -11.057 1.00 70.44 H new ATOM 0 HG SER A 77 4.109 -24.105 -12.709 1.00 1.22 H new ATOM 1213 N LEU A 78 6.171 -22.693 -8.173 1.00 64.53 N ATOM 1214 CA LEU A 78 6.540 -21.566 -7.324 1.00 41.23 C ATOM 1215 C LEU A 78 8.026 -21.607 -6.981 1.00 40.20 C ATOM 1216 O LEU A 78 8.763 -20.659 -7.256 1.00 70.34 O ATOM 1217 CB LEU A 78 5.708 -21.573 -6.040 1.00 53.25 C ATOM 1218 CG LEU A 78 4.566 -20.558 -5.976 1.00 63.42 C ATOM 1219 CD1 LEU A 78 5.098 -19.145 -6.153 1.00 0.24 C ATOM 1220 CD2 LEU A 78 3.514 -20.871 -7.030 1.00 61.10 C ATOM 0 H LEU A 78 5.510 -23.342 -7.747 1.00 64.53 H new ATOM 0 HA LEU A 78 6.338 -20.647 -7.875 1.00 41.23 H new ATOM 0 HB2 LEU A 78 5.289 -22.570 -5.908 1.00 53.25 H new ATOM 0 HB3 LEU A 78 6.375 -21.393 -5.197 1.00 53.25 H new ATOM 0 HG LEU A 78 4.098 -20.627 -4.994 1.00 63.42 H new ATOM 0 HD11 LEU A 78 4.271 -18.436 -6.105 1.00 0.24 H new ATOM 0 HD12 LEU A 78 5.813 -18.923 -5.360 1.00 0.24 H new ATOM 0 HD13 LEU A 78 5.592 -19.061 -7.121 1.00 0.24 H new ATOM 0 HD21 LEU A 78 2.709 -20.138 -6.970 1.00 61.10 H new ATOM 0 HD22 LEU A 78 3.968 -20.831 -8.020 1.00 61.10 H new ATOM 0 HD23 LEU A 78 3.110 -21.869 -6.856 1.00 61.10 H new ATOM 1232 N TYR A 79 8.459 -22.710 -6.381 1.00 53.40 N ATOM 1233 CA TYR A 79 9.857 -22.875 -6.000 1.00 14.15 C ATOM 1234 C TYR A 79 10.780 -22.601 -7.185 1.00 60.13 C ATOM 1235 O TYR A 79 11.911 -22.150 -7.013 1.00 1.11 O ATOM 1236 CB TYR A 79 10.099 -24.287 -5.466 1.00 1.00 C ATOM 1237 CG TYR A 79 11.353 -24.411 -4.630 1.00 51.41 C ATOM 1238 CD1 TYR A 79 11.430 -23.835 -3.368 1.00 71.31 C ATOM 1239 CD2 TYR A 79 12.460 -25.103 -5.103 1.00 42.23 C ATOM 1240 CE1 TYR A 79 12.573 -23.945 -2.601 1.00 64.24 C ATOM 1241 CE2 TYR A 79 13.607 -25.220 -4.342 1.00 44.33 C ATOM 1242 CZ TYR A 79 13.660 -24.639 -3.092 1.00 71.12 C ATOM 1243 OH TYR A 79 14.800 -24.753 -2.332 1.00 4.51 O ATOM 0 H TYR A 79 7.862 -23.503 -6.148 1.00 53.40 H new ATOM 0 HA TYR A 79 10.081 -22.154 -5.214 1.00 14.15 H new ATOM 0 HB2 TYR A 79 9.241 -24.592 -4.867 1.00 1.00 H new ATOM 0 HB3 TYR A 79 10.163 -24.978 -6.306 1.00 1.00 H new ATOM 0 HD1 TYR A 79 10.581 -23.292 -2.980 1.00 71.31 H new ATOM 0 HD2 TYR A 79 12.424 -25.557 -6.082 1.00 42.23 H new ATOM 0 HE1 TYR A 79 12.616 -23.490 -1.622 1.00 64.24 H new ATOM 0 HE2 TYR A 79 14.458 -25.764 -4.724 1.00 44.33 H new ATOM 0 HH TYR A 79 15.470 -25.273 -2.823 1.00 4.51 H new ATOM 1253 N ASN A 80 10.287 -22.880 -8.387 1.00 32.52 N ATOM 1254 CA ASN A 80 11.066 -22.664 -9.601 1.00 65.43 C ATOM 1255 C ASN A 80 11.210 -21.175 -9.898 1.00 41.35 C ATOM 1256 O ASN A 80 12.314 -20.681 -10.134 1.00 22.52 O ATOM 1257 CB ASN A 80 10.407 -23.371 -10.787 1.00 72.30 C ATOM 1258 CG ASN A 80 10.857 -24.813 -10.924 1.00 41.30 C ATOM 1259 OD1 ASN A 80 11.576 -25.334 -10.072 1.00 50.01 O ATOM 1260 ND2 ASN A 80 10.435 -25.464 -12.002 1.00 32.00 N ATOM 0 H ASN A 80 9.352 -23.256 -8.547 1.00 32.52 H new ATOM 0 HA ASN A 80 12.060 -23.082 -9.444 1.00 65.43 H new ATOM 0 HB2 ASN A 80 9.324 -23.341 -10.668 1.00 72.30 H new ATOM 0 HB3 ASN A 80 10.642 -22.831 -11.704 1.00 72.30 H new ATOM 0 HD21 ASN A 80 10.706 -26.436 -12.149 1.00 32.00 H new ATOM 0 HD22 ASN A 80 9.840 -24.992 -12.683 1.00 32.00 H new ATOM 1267 N THR A 81 10.087 -20.463 -9.886 1.00 43.40 N ATOM 1268 CA THR A 81 10.087 -19.031 -10.154 1.00 10.41 C ATOM 1269 C THR A 81 10.785 -18.263 -9.038 1.00 22.05 C ATOM 1270 O THR A 81 11.726 -17.508 -9.285 1.00 31.24 O ATOM 1271 CB THR A 81 8.655 -18.489 -10.318 1.00 61.22 C ATOM 1272 OG1 THR A 81 7.965 -19.228 -11.333 1.00 13.23 O ATOM 1273 CG2 THR A 81 8.672 -17.013 -10.681 1.00 4.01 C ATOM 0 H THR A 81 9.166 -20.856 -9.693 1.00 43.40 H new ATOM 0 HA THR A 81 10.631 -18.885 -11.087 1.00 10.41 H new ATOM 0 HB THR A 81 8.135 -18.606 -9.367 1.00 61.22 H new ATOM 0 HG1 THR A 81 7.771 -20.131 -11.005 1.00 13.23 H new ATOM 0 HG21 THR A 81 7.649 -16.654 -10.791 1.00 4.01 H new ATOM 0 HG22 THR A 81 9.171 -16.450 -9.892 1.00 4.01 H new ATOM 0 HG23 THR A 81 9.208 -16.875 -11.620 1.00 4.01 H new ATOM 1281 N ILE A 82 10.318 -18.459 -7.809 1.00 12.23 N ATOM 1282 CA ILE A 82 10.899 -17.785 -6.655 1.00 23.32 C ATOM 1283 C ILE A 82 12.410 -17.980 -6.608 1.00 2.23 C ATOM 1284 O ILE A 82 13.142 -17.122 -6.112 1.00 74.43 O ATOM 1285 CB ILE A 82 10.285 -18.296 -5.337 1.00 12.34 C ATOM 1286 CG1 ILE A 82 8.770 -18.085 -5.339 1.00 13.15 C ATOM 1287 CG2 ILE A 82 10.923 -17.592 -4.148 1.00 54.22 C ATOM 1288 CD1 ILE A 82 8.041 -18.927 -4.315 1.00 52.41 C ATOM 0 H ILE A 82 9.539 -19.079 -7.587 1.00 12.23 H new ATOM 0 HA ILE A 82 10.675 -16.724 -6.763 1.00 23.32 H new ATOM 0 HB ILE A 82 10.483 -19.364 -5.251 1.00 12.34 H new ATOM 0 HG12 ILE A 82 8.558 -17.033 -5.150 1.00 13.15 H new ATOM 0 HG13 ILE A 82 8.381 -18.315 -6.331 1.00 13.15 H new ATOM 0 HG21 ILE A 82 10.479 -17.963 -3.224 1.00 54.22 H new ATOM 0 HG22 ILE A 82 11.995 -17.789 -4.141 1.00 54.22 H new ATOM 0 HG23 ILE A 82 10.752 -16.518 -4.226 1.00 54.22 H new ATOM 0 HD11 ILE A 82 6.971 -18.726 -4.373 1.00 52.41 H new ATOM 0 HD12 ILE A 82 8.223 -19.983 -4.516 1.00 52.41 H new ATOM 0 HD13 ILE A 82 8.403 -18.680 -3.317 1.00 52.41 H new ATOM 1300 N ALA A 83 12.872 -19.112 -7.127 1.00 54.51 N ATOM 1301 CA ALA A 83 14.298 -19.417 -7.149 1.00 13.22 C ATOM 1302 C ALA A 83 15.048 -18.469 -8.079 1.00 42.23 C ATOM 1303 O ALA A 83 16.010 -17.817 -7.672 1.00 43.14 O ATOM 1304 CB ALA A 83 14.522 -20.861 -7.571 1.00 72.40 C ATOM 0 H ALA A 83 12.280 -19.834 -7.538 1.00 54.51 H new ATOM 0 HA ALA A 83 14.690 -19.280 -6.141 1.00 13.22 H new ATOM 0 HB1 ALA A 83 15.591 -21.075 -7.583 1.00 72.40 H new ATOM 0 HB2 ALA A 83 14.027 -21.527 -6.865 1.00 72.40 H new ATOM 0 HB3 ALA A 83 14.109 -21.017 -8.568 1.00 72.40 H new ATOM 1310 N VAL A 84 14.602 -18.399 -9.329 1.00 45.20 N ATOM 1311 CA VAL A 84 15.233 -17.531 -10.318 1.00 24.33 C ATOM 1312 C VAL A 84 15.203 -16.075 -9.867 1.00 13.11 C ATOM 1313 O VAL A 84 16.155 -15.324 -10.090 1.00 74.14 O ATOM 1314 CB VAL A 84 14.541 -17.647 -11.688 1.00 42.24 C ATOM 1315 CG1 VAL A 84 15.195 -16.715 -12.696 1.00 54.22 C ATOM 1316 CG2 VAL A 84 14.575 -19.086 -12.181 1.00 42.42 C ATOM 0 H VAL A 84 13.807 -18.932 -9.681 1.00 45.20 H new ATOM 0 HA VAL A 84 16.268 -17.858 -10.414 1.00 24.33 H new ATOM 0 HB VAL A 84 13.498 -17.349 -11.576 1.00 42.24 H new ATOM 0 HG11 VAL A 84 14.693 -16.810 -13.659 1.00 54.22 H new ATOM 0 HG12 VAL A 84 15.115 -15.686 -12.345 1.00 54.22 H new ATOM 0 HG13 VAL A 84 16.246 -16.980 -12.807 1.00 54.22 H new ATOM 0 HG21 VAL A 84 14.081 -19.150 -13.151 1.00 42.42 H new ATOM 0 HG22 VAL A 84 15.610 -19.413 -12.278 1.00 42.42 H new ATOM 0 HG23 VAL A 84 14.058 -19.727 -11.468 1.00 42.42 H new ATOM 1326 N LEU A 85 14.105 -15.680 -9.232 1.00 21.23 N ATOM 1327 CA LEU A 85 13.950 -14.312 -8.750 1.00 44.01 C ATOM 1328 C LEU A 85 15.014 -13.979 -7.708 1.00 23.13 C ATOM 1329 O LEU A 85 15.764 -13.014 -7.859 1.00 25.02 O ATOM 1330 CB LEU A 85 12.556 -14.116 -8.152 1.00 21.01 C ATOM 1331 CG LEU A 85 11.663 -13.094 -8.855 1.00 32.53 C ATOM 1332 CD1 LEU A 85 10.424 -13.769 -9.423 1.00 33.12 C ATOM 1333 CD2 LEU A 85 11.271 -11.978 -7.897 1.00 11.43 C ATOM 0 H LEU A 85 13.309 -16.288 -9.039 1.00 21.23 H new ATOM 0 HA LEU A 85 14.073 -13.638 -9.598 1.00 44.01 H new ATOM 0 HB2 LEU A 85 12.044 -15.078 -8.153 1.00 21.01 H new ATOM 0 HB3 LEU A 85 12.668 -13.815 -7.110 1.00 21.01 H new ATOM 0 HG LEU A 85 12.225 -12.657 -9.680 1.00 32.53 H new ATOM 0 HD11 LEU A 85 9.800 -13.026 -9.920 1.00 33.12 H new ATOM 0 HD12 LEU A 85 10.723 -14.532 -10.142 1.00 33.12 H new ATOM 0 HD13 LEU A 85 9.860 -14.234 -8.614 1.00 33.12 H new ATOM 0 HD21 LEU A 85 10.635 -11.260 -8.415 1.00 11.43 H new ATOM 0 HD22 LEU A 85 10.728 -12.399 -7.051 1.00 11.43 H new ATOM 0 HD23 LEU A 85 12.169 -11.475 -7.538 1.00 11.43 H new ATOM 1345 N TYR A 86 15.074 -14.784 -6.652 1.00 15.44 N ATOM 1346 CA TYR A 86 16.046 -14.574 -5.586 1.00 13.00 C ATOM 1347 C TYR A 86 17.457 -14.450 -6.151 1.00 14.41 C ATOM 1348 O TYR A 86 18.255 -13.635 -5.686 1.00 43.32 O ATOM 1349 CB TYR A 86 15.986 -15.725 -4.580 1.00 11.33 C ATOM 1350 CG TYR A 86 17.098 -15.691 -3.556 1.00 72.22 C ATOM 1351 CD1 TYR A 86 18.320 -16.302 -3.807 1.00 1.31 C ATOM 1352 CD2 TYR A 86 16.924 -15.050 -2.335 1.00 41.31 C ATOM 1353 CE1 TYR A 86 19.338 -16.274 -2.874 1.00 32.10 C ATOM 1354 CE2 TYR A 86 17.937 -15.017 -1.396 1.00 1.43 C ATOM 1355 CZ TYR A 86 19.142 -15.630 -1.670 1.00 41.23 C ATOM 1356 OH TYR A 86 20.153 -15.600 -0.737 1.00 23.11 O ATOM 0 H TYR A 86 14.461 -15.587 -6.512 1.00 15.44 H new ATOM 0 HA TYR A 86 15.795 -13.643 -5.078 1.00 13.00 H new ATOM 0 HB2 TYR A 86 15.027 -15.696 -4.064 1.00 11.33 H new ATOM 0 HB3 TYR A 86 16.029 -16.671 -5.120 1.00 11.33 H new ATOM 0 HD1 TYR A 86 18.477 -16.808 -4.748 1.00 1.31 H new ATOM 0 HD2 TYR A 86 15.982 -14.570 -2.117 1.00 41.31 H new ATOM 0 HE1 TYR A 86 20.282 -16.754 -3.086 1.00 32.10 H new ATOM 0 HE2 TYR A 86 17.786 -14.514 -0.452 1.00 1.43 H new ATOM 0 HH TYR A 86 19.853 -15.106 0.055 1.00 23.11 H new ATOM 1366 N CYS A 87 17.757 -15.262 -7.159 1.00 10.14 N ATOM 1367 CA CYS A 87 19.072 -15.245 -7.789 1.00 1.34 C ATOM 1368 C CYS A 87 19.314 -13.920 -8.506 1.00 41.11 C ATOM 1369 O CYS A 87 20.423 -13.385 -8.487 1.00 33.52 O ATOM 1370 CB CYS A 87 19.203 -16.405 -8.776 1.00 53.13 C ATOM 1371 SG CYS A 87 19.313 -18.032 -7.995 1.00 11.04 S ATOM 0 H CYS A 87 17.107 -15.940 -7.557 1.00 10.14 H new ATOM 0 HA CYS A 87 19.824 -15.357 -7.008 1.00 1.34 H new ATOM 0 HB2 CYS A 87 18.345 -16.394 -9.448 1.00 53.13 H new ATOM 0 HB3 CYS A 87 20.090 -16.248 -9.389 1.00 53.13 H new ATOM 0 HG CYS A 87 18.131 -18.408 -7.607 1.00 11.04 H new ATOM 1377 N VAL A 88 18.269 -13.398 -9.141 1.00 73.25 N ATOM 1378 CA VAL A 88 18.367 -12.137 -9.865 1.00 53.33 C ATOM 1379 C VAL A 88 18.569 -10.968 -8.909 1.00 2.23 C ATOM 1380 O VAL A 88 19.450 -10.130 -9.111 1.00 65.35 O ATOM 1381 CB VAL A 88 17.109 -11.878 -10.716 1.00 43.24 C ATOM 1382 CG1 VAL A 88 17.225 -10.553 -11.451 1.00 14.44 C ATOM 1383 CG2 VAL A 88 16.885 -13.022 -11.694 1.00 35.13 C ATOM 0 H VAL A 88 17.345 -13.829 -9.168 1.00 73.25 H new ATOM 0 HA VAL A 88 19.232 -12.218 -10.523 1.00 53.33 H new ATOM 0 HB VAL A 88 16.246 -11.822 -10.052 1.00 43.24 H new ATOM 0 HG11 VAL A 88 16.327 -10.388 -12.047 1.00 14.44 H new ATOM 0 HG12 VAL A 88 17.335 -9.744 -10.728 1.00 14.44 H new ATOM 0 HG13 VAL A 88 18.096 -10.575 -12.106 1.00 14.44 H new ATOM 0 HG21 VAL A 88 15.993 -12.824 -12.288 1.00 35.13 H new ATOM 0 HG22 VAL A 88 17.748 -13.110 -12.354 1.00 35.13 H new ATOM 0 HG23 VAL A 88 16.754 -13.953 -11.142 1.00 35.13 H new ATOM 1393 N HIS A 89 17.746 -10.915 -7.865 1.00 2.52 N ATOM 1394 CA HIS A 89 17.835 -9.847 -6.874 1.00 63.15 C ATOM 1395 C HIS A 89 19.235 -9.783 -6.269 1.00 72.03 C ATOM 1396 O HIS A 89 19.721 -8.668 -6.090 1.00 32.12 O ATOM 1397 CB HIS A 89 16.799 -10.061 -5.770 1.00 43.22 C ATOM 1398 CG HIS A 89 15.440 -9.534 -6.114 1.00 62.34 C ATOM 1399 ND1 HIS A 89 15.242 -8.359 -6.808 1.00 30.11 N ATOM 1400 CD2 HIS A 89 14.207 -10.029 -5.856 1.00 62.11 C ATOM 1401 CE1 HIS A 89 13.946 -8.155 -6.961 1.00 32.25 C ATOM 1402 NE2 HIS A 89 13.296 -9.154 -6.392 1.00 75.22 N ATOM 0 H HIS A 89 17.011 -11.598 -7.684 1.00 2.52 H new ATOM 0 HA HIS A 89 17.631 -8.901 -7.375 1.00 63.15 H new ATOM 0 HB2 HIS A 89 16.723 -11.127 -5.556 1.00 43.22 H new ATOM 0 HB3 HIS A 89 17.147 -9.577 -4.858 1.00 43.22 H new ATOM 0 HD1 HIS A 89 15.980 -7.744 -7.150 1.00 30.11 H new ATOM 0 HD2 HIS A 89 13.982 -10.943 -5.327 1.00 62.11 H new ATOM 0 HE1 HIS A 89 13.494 -7.314 -7.466 1.00 32.25 H new ATOM 1411 N GLN A 90 19.870 -10.910 -5.963 1.00 0.43 N ATOM 1412 CA GLN A 90 21.209 -10.897 -5.382 1.00 34.33 C ATOM 1413 C GLN A 90 22.254 -10.541 -6.434 1.00 70.01 C ATOM 1414 O GLN A 90 22.836 -9.457 -6.403 1.00 30.44 O ATOM 1415 CB GLN A 90 21.532 -12.258 -4.764 1.00 22.41 C ATOM 1416 CG GLN A 90 21.146 -12.367 -3.298 1.00 33.43 C ATOM 1417 CD GLN A 90 22.181 -13.107 -2.474 1.00 72.13 C ATOM 1418 OE1 GLN A 90 22.559 -12.665 -1.389 1.00 42.13 O ATOM 1419 NE2 GLN A 90 22.647 -14.239 -2.988 1.00 74.11 N ATOM 0 H GLN A 90 19.481 -11.842 -6.107 1.00 0.43 H new ATOM 0 HA GLN A 90 21.233 -10.137 -4.601 1.00 34.33 H new ATOM 0 HB2 GLN A 90 21.014 -13.035 -5.326 1.00 22.41 H new ATOM 0 HB3 GLN A 90 22.600 -12.449 -4.865 1.00 22.41 H new ATOM 0 HG2 GLN A 90 21.008 -11.367 -2.887 1.00 33.43 H new ATOM 0 HG3 GLN A 90 20.188 -12.880 -3.216 1.00 33.43 H new ATOM 0 HE21 GLN A 90 22.305 -14.568 -3.891 1.00 74.11 H new ATOM 0 HE22 GLN A 90 23.347 -14.780 -2.480 1.00 74.11 H new ATOM 1428 N ARG A 91 22.489 -11.462 -7.363 1.00 32.14 N ATOM 1429 CA ARG A 91 23.467 -11.246 -8.423 1.00 73.02 C ATOM 1430 C ARG A 91 23.522 -12.445 -9.364 1.00 63.22 C ATOM 1431 O ARG A 91 23.716 -12.292 -10.570 1.00 14.33 O ATOM 1432 CB ARG A 91 24.851 -10.989 -7.825 1.00 42.23 C ATOM 1433 CG ARG A 91 25.474 -9.677 -8.271 1.00 11.32 C ATOM 1434 CD ARG A 91 26.778 -9.402 -7.539 1.00 1.15 C ATOM 1435 NE ARG A 91 27.212 -8.017 -7.697 1.00 0.43 N ATOM 1436 CZ ARG A 91 26.655 -6.994 -7.058 1.00 12.52 C ATOM 1437 NH1 ARG A 91 25.647 -7.200 -6.222 1.00 64.35 N1+ ATOM 1438 NH2 ARG A 91 27.107 -5.761 -7.255 1.00 63.31 N ATOM 0 H ARG A 91 22.016 -12.365 -7.403 1.00 32.14 H new ATOM 0 HA ARG A 91 23.158 -10.371 -8.995 1.00 73.02 H new ATOM 0 HB2 ARG A 91 24.774 -10.994 -6.738 1.00 42.23 H new ATOM 0 HB3 ARG A 91 25.514 -11.809 -8.101 1.00 42.23 H new ATOM 0 HG2 ARG A 91 25.658 -9.707 -9.345 1.00 11.32 H new ATOM 0 HG3 ARG A 91 24.775 -8.861 -8.090 1.00 11.32 H new ATOM 0 HD2 ARG A 91 26.653 -9.624 -6.479 1.00 1.15 H new ATOM 0 HD3 ARG A 91 27.553 -10.070 -7.915 1.00 1.15 H new ATOM 0 HE ARG A 91 27.986 -7.824 -8.333 1.00 0.43 H new ATOM 0 HH11 ARG A 91 25.297 -8.146 -6.068 1.00 64.35 H new ATOM 0 HH12 ARG A 91 25.221 -6.413 -5.733 1.00 64.35 H new ATOM 0 HH21 ARG A 91 27.882 -5.599 -7.897 1.00 63.31 H new ATOM 0 HH22 ARG A 91 26.679 -4.976 -6.764 1.00 63.31 H new ATOM 1452 N ILE A 92 23.350 -13.638 -8.804 1.00 41.24 N ATOM 1453 CA ILE A 92 23.380 -14.864 -9.595 1.00 24.54 C ATOM 1454 C ILE A 92 22.431 -14.774 -10.785 1.00 22.24 C ATOM 1455 O ILE A 92 21.218 -14.649 -10.616 1.00 54.22 O ATOM 1456 CB ILE A 92 23.003 -16.091 -8.743 1.00 61.11 C ATOM 1457 CG1 ILE A 92 23.948 -16.218 -7.547 1.00 72.14 C ATOM 1458 CG2 ILE A 92 23.038 -17.354 -9.591 1.00 41.31 C ATOM 1459 CD1 ILE A 92 23.231 -16.384 -6.226 1.00 64.04 C ATOM 0 H ILE A 92 23.189 -13.782 -7.807 1.00 41.24 H new ATOM 0 HA ILE A 92 24.401 -14.982 -9.957 1.00 24.54 H new ATOM 0 HB ILE A 92 21.989 -15.957 -8.367 1.00 61.11 H new ATOM 0 HG12 ILE A 92 24.607 -17.072 -7.704 1.00 72.14 H new ATOM 0 HG13 ILE A 92 24.581 -15.332 -7.499 1.00 72.14 H new ATOM 0 HG21 ILE A 92 22.770 -18.213 -8.976 1.00 41.31 H new ATOM 0 HG22 ILE A 92 22.328 -17.260 -10.413 1.00 41.31 H new ATOM 0 HG23 ILE A 92 24.041 -17.495 -9.993 1.00 41.31 H new ATOM 0 HD11 ILE A 92 23.963 -16.468 -5.423 1.00 64.04 H new ATOM 0 HD12 ILE A 92 22.593 -15.518 -6.047 1.00 64.04 H new ATOM 0 HD13 ILE A 92 22.619 -17.286 -6.255 1.00 64.04 H new ATOM 1471 N ASP A 93 22.992 -14.839 -11.987 1.00 15.11 N ATOM 1472 CA ASP A 93 22.196 -14.768 -13.207 1.00 32.34 C ATOM 1473 C ASP A 93 22.162 -16.120 -13.913 1.00 12.22 C ATOM 1474 O ASP A 93 22.604 -16.247 -15.055 1.00 10.54 O ATOM 1475 CB ASP A 93 22.759 -13.701 -14.147 1.00 20.43 C ATOM 1476 CG ASP A 93 22.341 -12.299 -13.748 1.00 1.41 C ATOM 1477 OD1 ASP A 93 21.123 -12.059 -13.611 1.00 2.40 O1- ATOM 1478 OD2 ASP A 93 23.232 -11.441 -13.574 1.00 21.10 O ATOM 0 H ASP A 93 23.995 -14.941 -12.143 1.00 15.11 H new ATOM 0 HA ASP A 93 21.177 -14.497 -12.932 1.00 32.34 H new ATOM 0 HB2 ASP A 93 23.847 -13.764 -14.154 1.00 20.43 H new ATOM 0 HB3 ASP A 93 22.422 -13.902 -15.164 1.00 20.43 H new ATOM 1483 N VAL A 94 21.635 -17.127 -13.226 1.00 61.41 N ATOM 1484 CA VAL A 94 21.543 -18.470 -13.787 1.00 74.11 C ATOM 1485 C VAL A 94 20.874 -18.449 -15.156 1.00 53.32 C ATOM 1486 O VAL A 94 19.970 -17.652 -15.407 1.00 21.13 O ATOM 1487 CB VAL A 94 20.756 -19.414 -12.858 1.00 54.21 C ATOM 1488 CG1 VAL A 94 21.537 -19.680 -11.580 1.00 54.50 C ATOM 1489 CG2 VAL A 94 19.387 -18.832 -12.544 1.00 34.41 C ATOM 0 H VAL A 94 21.265 -17.039 -12.280 1.00 61.41 H new ATOM 0 HA VAL A 94 22.563 -18.840 -13.890 1.00 74.11 H new ATOM 0 HB VAL A 94 20.613 -20.365 -13.372 1.00 54.21 H new ATOM 0 HG11 VAL A 94 20.965 -20.349 -10.937 1.00 54.50 H new ATOM 0 HG12 VAL A 94 22.492 -20.143 -11.827 1.00 54.50 H new ATOM 0 HG13 VAL A 94 21.714 -18.739 -11.059 1.00 54.50 H new ATOM 0 HG21 VAL A 94 18.845 -19.512 -11.887 1.00 34.41 H new ATOM 0 HG22 VAL A 94 19.506 -17.868 -12.050 1.00 34.41 H new ATOM 0 HG23 VAL A 94 18.827 -18.699 -13.470 1.00 34.41 H new ATOM 1499 N LYS A 95 21.325 -19.331 -16.042 1.00 52.41 N ATOM 1500 CA LYS A 95 20.770 -19.416 -17.388 1.00 10.23 C ATOM 1501 C LYS A 95 19.395 -20.076 -17.369 1.00 51.31 C ATOM 1502 O LYS A 95 18.562 -19.820 -18.239 1.00 61.31 O ATOM 1503 CB LYS A 95 21.712 -20.203 -18.302 1.00 12.54 C ATOM 1504 CG LYS A 95 22.949 -19.425 -18.715 1.00 10.02 C ATOM 1505 CD LYS A 95 24.024 -19.475 -17.642 1.00 45.43 C ATOM 1506 CE LYS A 95 25.310 -18.810 -18.109 1.00 13.50 C ATOM 1507 NZ LYS A 95 26.513 -19.604 -17.735 1.00 42.20 N1+ ATOM 0 H LYS A 95 22.074 -19.997 -15.852 1.00 52.41 H new ATOM 0 HA LYS A 95 20.662 -18.402 -17.774 1.00 10.23 H new ATOM 0 HB2 LYS A 95 22.020 -21.116 -17.792 1.00 12.54 H new ATOM 0 HB3 LYS A 95 21.168 -20.506 -19.197 1.00 12.54 H new ATOM 0 HG2 LYS A 95 23.343 -19.834 -19.645 1.00 10.02 H new ATOM 0 HG3 LYS A 95 22.678 -18.388 -18.912 1.00 10.02 H new ATOM 0 HD2 LYS A 95 23.663 -18.979 -16.741 1.00 45.43 H new ATOM 0 HD3 LYS A 95 24.226 -20.513 -17.376 1.00 45.43 H new ATOM 0 HE2 LYS A 95 25.281 -18.683 -19.191 1.00 13.50 H new ATOM 0 HE3 LYS A 95 25.383 -17.814 -17.673 1.00 13.50 H new ATOM 0 HZ1 LYS A 95 27.368 -19.117 -18.071 1.00 42.20 H new ATOM 0 HZ2 LYS A 95 26.555 -19.704 -16.701 1.00 42.20 H new ATOM 0 HZ3 LYS A 95 26.457 -20.546 -18.172 1.00 42.20 H new ATOM 1521 N ASP A 96 19.164 -20.923 -16.372 1.00 43.15 N ATOM 1522 CA ASP A 96 17.889 -21.617 -16.238 1.00 73.13 C ATOM 1523 C ASP A 96 17.506 -21.773 -14.770 1.00 22.14 C ATOM 1524 O ASP A 96 18.306 -21.497 -13.876 1.00 62.25 O ATOM 1525 CB ASP A 96 17.959 -22.991 -16.908 1.00 23.41 C ATOM 1526 CG ASP A 96 19.252 -23.720 -16.598 1.00 13.51 C ATOM 1527 OD1 ASP A 96 19.401 -24.207 -15.459 1.00 43.20 O ATOM 1528 OD2 ASP A 96 20.114 -23.804 -17.498 1.00 44.22 O1- ATOM 0 H ASP A 96 19.844 -21.145 -15.645 1.00 43.15 H new ATOM 0 HA ASP A 96 17.124 -21.018 -16.733 1.00 73.13 H new ATOM 0 HB2 ASP A 96 17.115 -23.597 -16.577 1.00 23.41 H new ATOM 0 HB3 ASP A 96 17.862 -22.871 -17.987 1.00 23.41 H new ATOM 1533 N THR A 97 16.275 -22.214 -14.528 1.00 51.21 N ATOM 1534 CA THR A 97 15.785 -22.403 -13.168 1.00 54.22 C ATOM 1535 C THR A 97 16.571 -23.492 -12.447 1.00 13.55 C ATOM 1536 O THR A 97 16.854 -23.381 -11.254 1.00 1.53 O ATOM 1537 CB THR A 97 14.289 -22.772 -13.157 1.00 43.13 C ATOM 1538 OG1 THR A 97 13.544 -21.820 -13.923 1.00 70.40 O ATOM 1539 CG2 THR A 97 13.754 -22.818 -11.735 1.00 23.51 C ATOM 0 H THR A 97 15.600 -22.447 -15.256 1.00 51.21 H new ATOM 0 HA THR A 97 15.922 -21.455 -12.647 1.00 54.22 H new ATOM 0 HB THR A 97 14.178 -23.761 -13.602 1.00 43.13 H new ATOM 0 HG1 THR A 97 12.973 -22.292 -14.565 1.00 70.40 H new ATOM 0 HG21 THR A 97 12.696 -23.080 -11.753 1.00 23.51 H new ATOM 0 HG22 THR A 97 14.304 -23.566 -11.163 1.00 23.51 H new ATOM 0 HG23 THR A 97 13.878 -21.841 -11.268 1.00 23.51 H new ATOM 1547 N LYS A 98 16.923 -24.544 -13.179 1.00 63.50 N ATOM 1548 CA LYS A 98 17.679 -25.654 -12.609 1.00 14.24 C ATOM 1549 C LYS A 98 18.959 -25.156 -11.946 1.00 42.04 C ATOM 1550 O LYS A 98 19.240 -25.484 -10.794 1.00 12.33 O ATOM 1551 CB LYS A 98 18.018 -26.677 -13.695 1.00 4.32 C ATOM 1552 CG LYS A 98 17.810 -28.117 -13.260 1.00 73.25 C ATOM 1553 CD LYS A 98 19.103 -28.743 -12.766 1.00 50.21 C ATOM 1554 CE LYS A 98 19.320 -30.124 -13.367 1.00 21.50 C ATOM 1555 NZ LYS A 98 19.888 -30.048 -14.742 1.00 61.23 N1+ ATOM 0 H LYS A 98 16.697 -24.651 -14.168 1.00 63.50 H new ATOM 0 HA LYS A 98 17.060 -26.132 -11.850 1.00 14.24 H new ATOM 0 HB2 LYS A 98 17.403 -26.479 -14.573 1.00 4.32 H new ATOM 0 HB3 LYS A 98 19.057 -26.544 -13.996 1.00 4.32 H new ATOM 0 HG2 LYS A 98 17.061 -28.154 -12.469 1.00 73.25 H new ATOM 0 HG3 LYS A 98 17.420 -28.698 -14.096 1.00 73.25 H new ATOM 0 HD2 LYS A 98 19.943 -28.097 -13.023 1.00 50.21 H new ATOM 0 HD3 LYS A 98 19.080 -28.818 -11.679 1.00 50.21 H new ATOM 0 HE2 LYS A 98 19.992 -30.697 -12.728 1.00 21.50 H new ATOM 0 HE3 LYS A 98 18.372 -30.661 -13.395 1.00 21.50 H new ATOM 0 HZ1 LYS A 98 20.021 -31.009 -15.116 1.00 61.23 H new ATOM 0 HZ2 LYS A 98 19.235 -29.523 -15.359 1.00 61.23 H new ATOM 0 HZ3 LYS A 98 20.805 -29.558 -14.712 1.00 61.23 H new ATOM 1569 N GLU A 99 19.731 -24.362 -12.682 1.00 20.11 N ATOM 1570 CA GLU A 99 20.981 -23.820 -12.164 1.00 21.13 C ATOM 1571 C GLU A 99 20.749 -23.075 -10.852 1.00 14.45 C ATOM 1572 O GLU A 99 21.521 -23.209 -9.904 1.00 42.22 O ATOM 1573 CB GLU A 99 21.620 -22.882 -13.190 1.00 12.35 C ATOM 1574 CG GLU A 99 22.481 -23.599 -14.217 1.00 1.13 C ATOM 1575 CD GLU A 99 23.826 -22.928 -14.420 1.00 21.12 C ATOM 1576 OE1 GLU A 99 24.746 -23.189 -13.617 1.00 3.02 O1- ATOM 1577 OE2 GLU A 99 23.958 -22.144 -15.383 1.00 24.44 O ATOM 0 H GLU A 99 19.513 -24.080 -13.638 1.00 20.11 H new ATOM 0 HA GLU A 99 21.657 -24.653 -11.974 1.00 21.13 H new ATOM 0 HB2 GLU A 99 20.833 -22.333 -13.708 1.00 12.35 H new ATOM 0 HB3 GLU A 99 22.231 -22.146 -12.666 1.00 12.35 H new ATOM 0 HG2 GLU A 99 22.638 -24.630 -13.899 1.00 1.13 H new ATOM 0 HG3 GLU A 99 21.950 -23.636 -15.168 1.00 1.13 H new ATOM 1584 N ALA A 100 19.679 -22.287 -10.808 1.00 11.11 N ATOM 1585 CA ALA A 100 19.344 -21.521 -9.615 1.00 21.13 C ATOM 1586 C ALA A 100 19.071 -22.442 -8.430 1.00 41.41 C ATOM 1587 O ALA A 100 19.264 -22.058 -7.275 1.00 62.40 O ATOM 1588 CB ALA A 100 18.140 -20.630 -9.880 1.00 33.25 C ATOM 0 H ALA A 100 19.030 -22.163 -11.585 1.00 11.11 H new ATOM 0 HA ALA A 100 20.199 -20.893 -9.365 1.00 21.13 H new ATOM 0 HB1 ALA A 100 17.901 -20.064 -8.980 1.00 33.25 H new ATOM 0 HB2 ALA A 100 18.369 -19.940 -10.692 1.00 33.25 H new ATOM 0 HB3 ALA A 100 17.285 -21.247 -10.158 1.00 33.25 H new ATOM 1594 N LEU A 101 18.624 -23.657 -8.722 1.00 41.11 N ATOM 1595 CA LEU A 101 18.324 -24.634 -7.681 1.00 2.43 C ATOM 1596 C LEU A 101 19.606 -25.251 -7.128 1.00 34.33 C ATOM 1597 O LEU A 101 19.790 -25.340 -5.914 1.00 72.13 O ATOM 1598 CB LEU A 101 17.412 -25.732 -8.230 1.00 33.34 C ATOM 1599 CG LEU A 101 16.183 -26.068 -7.386 1.00 12.13 C ATOM 1600 CD1 LEU A 101 16.598 -26.521 -5.994 1.00 53.10 C ATOM 1601 CD2 LEU A 101 15.249 -24.869 -7.302 1.00 73.41 C ATOM 0 H LEU A 101 18.461 -23.990 -9.672 1.00 41.11 H new ATOM 0 HA LEU A 101 17.811 -24.117 -6.870 1.00 2.43 H new ATOM 0 HB2 LEU A 101 17.076 -25.434 -9.223 1.00 33.34 H new ATOM 0 HB3 LEU A 101 18.003 -26.640 -8.353 1.00 33.34 H new ATOM 0 HG LEU A 101 15.649 -26.887 -7.868 1.00 12.13 H new ATOM 0 HD11 LEU A 101 15.710 -26.756 -5.408 1.00 53.10 H new ATOM 0 HD12 LEU A 101 17.226 -27.408 -6.072 1.00 53.10 H new ATOM 0 HD13 LEU A 101 17.156 -25.724 -5.503 1.00 53.10 H new ATOM 0 HD21 LEU A 101 14.380 -25.127 -6.697 1.00 73.41 H new ATOM 0 HD22 LEU A 101 15.774 -24.030 -6.844 1.00 73.41 H new ATOM 0 HD23 LEU A 101 14.924 -24.590 -8.304 1.00 73.41 H new ATOM 1613 N ASP A 102 20.488 -25.674 -8.027 1.00 11.53 N ATOM 1614 CA ASP A 102 21.753 -26.279 -7.629 1.00 12.51 C ATOM 1615 C ASP A 102 22.594 -25.298 -6.818 1.00 52.12 C ATOM 1616 O ASP A 102 23.413 -25.701 -5.991 1.00 40.32 O ATOM 1617 CB ASP A 102 22.533 -26.739 -8.863 1.00 13.44 C ATOM 1618 CG ASP A 102 22.183 -28.155 -9.274 1.00 11.11 C ATOM 1619 OD1 ASP A 102 21.207 -28.329 -10.032 1.00 54.40 O ATOM 1620 OD2 ASP A 102 22.887 -29.090 -8.837 1.00 15.35 O1- ATOM 0 H ASP A 102 20.350 -25.609 -9.036 1.00 11.53 H new ATOM 0 HA ASP A 102 21.533 -27.144 -7.004 1.00 12.51 H new ATOM 0 HB2 ASP A 102 22.328 -26.062 -9.692 1.00 13.44 H new ATOM 0 HB3 ASP A 102 23.602 -26.677 -8.658 1.00 13.44 H new ATOM 1625 N LYS A 103 22.387 -24.008 -7.060 1.00 12.53 N ATOM 1626 CA LYS A 103 23.125 -22.968 -6.352 1.00 33.32 C ATOM 1627 C LYS A 103 22.580 -22.780 -4.940 1.00 30.30 C ATOM 1628 O LYS A 103 23.285 -23.013 -3.957 1.00 32.41 O ATOM 1629 CB LYS A 103 23.046 -21.646 -7.119 1.00 51.13 C ATOM 1630 CG LYS A 103 23.929 -21.608 -8.356 1.00 22.21 C ATOM 1631 CD LYS A 103 25.193 -20.801 -8.113 1.00 5.55 C ATOM 1632 CE LYS A 103 26.433 -21.556 -8.565 1.00 53.14 C ATOM 1633 NZ LYS A 103 27.677 -20.773 -8.329 1.00 72.05 N1+ ATOM 0 H LYS A 103 21.714 -23.657 -7.741 1.00 12.53 H new ATOM 0 HA LYS A 103 24.167 -23.280 -6.283 1.00 33.32 H new ATOM 0 HB2 LYS A 103 22.012 -21.468 -7.415 1.00 51.13 H new ATOM 0 HB3 LYS A 103 23.332 -20.831 -6.453 1.00 51.13 H new ATOM 0 HG2 LYS A 103 24.195 -22.625 -8.646 1.00 22.21 H new ATOM 0 HG3 LYS A 103 23.374 -21.175 -9.188 1.00 22.21 H new ATOM 0 HD2 LYS A 103 25.129 -19.853 -8.647 1.00 5.55 H new ATOM 0 HD3 LYS A 103 25.276 -20.565 -7.052 1.00 5.55 H new ATOM 0 HE2 LYS A 103 26.495 -22.505 -8.032 1.00 53.14 H new ATOM 0 HE3 LYS A 103 26.348 -21.791 -9.626 1.00 53.14 H new ATOM 0 HZ1 LYS A 103 28.499 -21.323 -8.651 1.00 72.05 H new ATOM 0 HZ2 LYS A 103 27.630 -19.879 -8.858 1.00 72.05 H new ATOM 0 HZ3 LYS A 103 27.772 -20.570 -7.313 1.00 72.05 H new ATOM 1647 N ILE A 104 21.323 -22.361 -4.846 1.00 2.44 N ATOM 1648 CA ILE A 104 20.685 -22.144 -3.553 1.00 73.32 C ATOM 1649 C ILE A 104 20.756 -23.399 -2.689 1.00 24.53 C ATOM 1650 O ILE A 104 20.771 -23.318 -1.461 1.00 12.43 O ATOM 1651 CB ILE A 104 19.210 -21.729 -3.715 1.00 60.04 C ATOM 1652 CG1 ILE A 104 19.107 -20.454 -4.554 1.00 62.51 C ATOM 1653 CG2 ILE A 104 18.564 -21.530 -2.353 1.00 15.25 C ATOM 1654 CD1 ILE A 104 17.705 -20.167 -5.046 1.00 63.42 C ATOM 0 H ILE A 104 20.726 -22.165 -5.649 1.00 2.44 H new ATOM 0 HA ILE A 104 21.229 -21.336 -3.064 1.00 73.32 H new ATOM 0 HB ILE A 104 18.677 -22.526 -4.234 1.00 60.04 H new ATOM 0 HG12 ILE A 104 19.455 -19.609 -3.960 1.00 62.51 H new ATOM 0 HG13 ILE A 104 19.774 -20.538 -5.412 1.00 62.51 H new ATOM 0 HG21 ILE A 104 17.522 -21.237 -2.484 1.00 15.25 H new ATOM 0 HG22 ILE A 104 18.611 -22.461 -1.788 1.00 15.25 H new ATOM 0 HG23 ILE A 104 19.095 -20.749 -1.809 1.00 15.25 H new ATOM 0 HD11 ILE A 104 17.706 -19.249 -5.634 1.00 63.42 H new ATOM 0 HD12 ILE A 104 17.361 -20.994 -5.666 1.00 63.42 H new ATOM 0 HD13 ILE A 104 17.037 -20.051 -4.193 1.00 63.42 H new ATOM 1666 N GLU A 105 20.801 -24.558 -3.339 1.00 41.31 N ATOM 1667 CA GLU A 105 20.872 -25.829 -2.629 1.00 73.23 C ATOM 1668 C GLU A 105 22.215 -25.983 -1.921 1.00 20.15 C ATOM 1669 O GLU A 105 22.269 -26.166 -0.705 1.00 72.14 O ATOM 1670 CB GLU A 105 20.659 -26.993 -3.599 1.00 31.24 C ATOM 1671 CG GLU A 105 20.694 -28.357 -2.930 1.00 12.41 C ATOM 1672 CD GLU A 105 19.409 -29.137 -3.128 1.00 41.10 C ATOM 1673 OE1 GLU A 105 19.042 -29.389 -4.295 1.00 52.52 O ATOM 1674 OE2 GLU A 105 18.770 -29.496 -2.118 1.00 25.04 O1- ATOM 0 H GLU A 105 20.790 -24.642 -4.355 1.00 41.31 H new ATOM 0 HA GLU A 105 20.082 -25.841 -1.879 1.00 73.23 H new ATOM 0 HB2 GLU A 105 19.699 -26.867 -4.099 1.00 31.24 H new ATOM 0 HB3 GLU A 105 21.427 -26.957 -4.371 1.00 31.24 H new ATOM 0 HG2 GLU A 105 21.529 -28.932 -3.330 1.00 12.41 H new ATOM 0 HG3 GLU A 105 20.877 -28.230 -1.863 1.00 12.41 H new ATOM 1681 N GLU A 106 23.296 -25.906 -2.691 1.00 61.31 N ATOM 1682 CA GLU A 106 24.638 -26.038 -2.138 1.00 63.44 C ATOM 1683 C GLU A 106 24.871 -25.019 -1.026 1.00 11.44 C ATOM 1684 O GLU A 106 25.514 -25.317 -0.021 1.00 62.22 O ATOM 1685 CB GLU A 106 25.688 -25.859 -3.237 1.00 73.22 C ATOM 1686 CG GLU A 106 26.532 -27.099 -3.480 1.00 44.40 C ATOM 1687 CD GLU A 106 26.157 -27.820 -4.759 1.00 34.13 C ATOM 1688 OE1 GLU A 106 26.041 -27.149 -5.806 1.00 13.22 O ATOM 1689 OE2 GLU A 106 25.978 -29.055 -4.715 1.00 25.33 O1- ATOM 0 H GLU A 106 23.268 -25.753 -3.699 1.00 61.31 H new ATOM 0 HA GLU A 106 24.732 -27.039 -1.716 1.00 63.44 H new ATOM 0 HB2 GLU A 106 25.187 -25.583 -4.165 1.00 73.22 H new ATOM 0 HB3 GLU A 106 26.344 -25.030 -2.970 1.00 73.22 H new ATOM 0 HG2 GLU A 106 27.584 -26.815 -3.523 1.00 44.40 H new ATOM 0 HG3 GLU A 106 26.420 -27.781 -2.637 1.00 44.40 H new ATOM 1696 N GLU A 107 24.344 -23.813 -1.217 1.00 15.31 N ATOM 1697 CA GLU A 107 24.496 -22.749 -0.232 1.00 11.12 C ATOM 1698 C GLU A 107 23.952 -23.182 1.125 1.00 43.21 C ATOM 1699 O GLU A 107 24.441 -22.748 2.169 1.00 51.35 O ATOM 1700 CB GLU A 107 23.777 -21.483 -0.701 1.00 14.51 C ATOM 1701 CG GLU A 107 24.712 -20.423 -1.260 1.00 13.34 C ATOM 1702 CD GLU A 107 24.420 -19.040 -0.712 1.00 53.10 C ATOM 1703 OE1 GLU A 107 24.815 -18.762 0.439 1.00 13.11 O1- ATOM 1704 OE2 GLU A 107 23.795 -18.234 -1.436 1.00 63.13 O ATOM 0 H GLU A 107 23.809 -23.549 -2.044 1.00 15.31 H new ATOM 0 HA GLU A 107 25.560 -22.536 -0.127 1.00 11.12 H new ATOM 0 HB2 GLU A 107 23.048 -21.752 -1.465 1.00 14.51 H new ATOM 0 HB3 GLU A 107 23.221 -21.060 0.136 1.00 14.51 H new ATOM 0 HG2 GLU A 107 25.742 -20.692 -1.026 1.00 13.34 H new ATOM 0 HG3 GLU A 107 24.626 -20.405 -2.346 1.00 13.34 H new ATOM 1711 N GLN A 108 22.936 -24.040 1.103 1.00 43.22 N ATOM 1712 CA GLN A 108 22.325 -24.531 2.332 1.00 72.22 C ATOM 1713 C GLN A 108 23.061 -25.761 2.852 1.00 60.13 C ATOM 1714 O GLN A 108 23.281 -25.903 4.055 1.00 12.12 O ATOM 1715 CB GLN A 108 20.852 -24.866 2.095 1.00 61.41 C ATOM 1716 CG GLN A 108 19.893 -23.959 2.849 1.00 15.31 C ATOM 1717 CD GLN A 108 20.211 -23.874 4.327 1.00 24.44 C ATOM 1718 OE1 GLN A 108 20.495 -24.883 4.974 1.00 53.53 O ATOM 1719 NE2 GLN A 108 20.165 -22.664 4.875 1.00 40.41 N ATOM 0 H GLN A 108 22.520 -24.409 0.248 1.00 43.22 H new ATOM 0 HA GLN A 108 22.395 -23.744 3.083 1.00 72.22 H new ATOM 0 HB2 GLN A 108 20.640 -24.798 1.028 1.00 61.41 H new ATOM 0 HB3 GLN A 108 20.671 -25.899 2.391 1.00 61.41 H new ATOM 0 HG2 GLN A 108 19.928 -22.959 2.416 1.00 15.31 H new ATOM 0 HG3 GLN A 108 18.875 -24.327 2.721 1.00 15.31 H new ATOM 0 HE21 GLN A 108 19.925 -21.854 4.303 1.00 40.41 H new ATOM 0 HE22 GLN A 108 20.369 -22.545 5.867 1.00 40.41 H new ATOM 1728 N ASN A 109 23.439 -26.649 1.939 1.00 52.21 N ATOM 1729 CA ASN A 109 24.150 -27.869 2.305 1.00 5.14 C ATOM 1730 C ASN A 109 25.472 -27.542 2.995 1.00 73.31 C ATOM 1731 O ASN A 109 25.779 -28.077 4.060 1.00 32.53 O ATOM 1732 CB ASN A 109 24.408 -28.727 1.065 1.00 33.13 C ATOM 1733 CG ASN A 109 23.192 -29.540 0.662 1.00 21.03 C ATOM 1734 OD1 ASN A 109 22.315 -29.814 1.481 1.00 33.10 O ATOM 1735 ND2 ASN A 109 23.135 -29.929 -0.606 1.00 14.34 N ATOM 0 H ASN A 109 23.265 -26.547 0.939 1.00 52.21 H new ATOM 0 HA ASN A 109 23.525 -28.428 3.001 1.00 5.14 H new ATOM 0 HB2 ASN A 109 24.703 -28.084 0.236 1.00 33.13 H new ATOM 0 HB3 ASN A 109 25.244 -29.400 1.259 1.00 33.13 H new ATOM 0 HD21 ASN A 109 22.341 -30.478 -0.936 1.00 14.34 H new ATOM 0 HD22 ASN A 109 23.885 -29.679 -1.250 1.00 14.34 H new ATOM 1742 N LYS A 110 26.250 -26.659 2.379 1.00 50.13 N ATOM 1743 CA LYS A 110 27.538 -26.257 2.933 1.00 61.03 C ATOM 1744 C LYS A 110 27.370 -25.670 4.330 1.00 3.24 C ATOM 1745 O LYS A 110 28.269 -25.766 5.166 1.00 21.15 O ATOM 1746 CB LYS A 110 28.215 -25.236 2.015 1.00 60.32 C ATOM 1747 CG LYS A 110 29.718 -25.419 1.906 1.00 64.21 C ATOM 1748 CD LYS A 110 30.459 -24.121 2.182 1.00 42.13 C ATOM 1749 CE LYS A 110 31.887 -24.174 1.660 1.00 3.23 C ATOM 1750 NZ LYS A 110 32.420 -22.814 1.366 1.00 74.01 N1+ ATOM 0 H LYS A 110 26.011 -26.208 1.496 1.00 50.13 H new ATOM 0 HA LYS A 110 28.167 -27.144 3.005 1.00 61.03 H new ATOM 0 HB2 LYS A 110 27.776 -25.307 1.020 1.00 60.32 H new ATOM 0 HB3 LYS A 110 28.006 -24.232 2.385 1.00 60.32 H new ATOM 0 HG2 LYS A 110 30.045 -26.183 2.612 1.00 64.21 H new ATOM 0 HG3 LYS A 110 29.970 -25.778 0.908 1.00 64.21 H new ATOM 0 HD2 LYS A 110 29.929 -23.291 1.713 1.00 42.13 H new ATOM 0 HD3 LYS A 110 30.469 -23.927 3.255 1.00 42.13 H new ATOM 0 HE2 LYS A 110 32.525 -24.663 2.396 1.00 3.23 H new ATOM 0 HE3 LYS A 110 31.921 -24.781 0.755 1.00 3.23 H new ATOM 0 HZ1 LYS A 110 33.395 -22.892 1.013 1.00 74.01 H new ATOM 0 HZ2 LYS A 110 31.826 -22.357 0.645 1.00 74.01 H new ATOM 0 HZ3 LYS A 110 32.412 -22.243 2.235 1.00 74.01 H new ATOM 1764 N SER A 111 26.215 -25.061 4.576 1.00 3.24 N ATOM 1765 CA SER A 111 25.931 -24.455 5.871 1.00 23.12 C ATOM 1766 C SER A 111 25.760 -25.525 6.946 1.00 64.31 C ATOM 1767 O SER A 111 26.190 -25.350 8.087 1.00 71.23 O ATOM 1768 CB SER A 111 24.670 -23.593 5.789 1.00 32.44 C ATOM 1769 OG SER A 111 24.997 -22.218 5.685 1.00 51.23 O ATOM 0 H SER A 111 25.460 -24.974 3.895 1.00 3.24 H new ATOM 0 HA SER A 111 26.777 -23.824 6.142 1.00 23.12 H new ATOM 0 HB2 SER A 111 24.075 -23.895 4.927 1.00 32.44 H new ATOM 0 HB3 SER A 111 24.055 -23.758 6.674 1.00 32.44 H new ATOM 0 HG SER A 111 24.174 -21.689 5.632 1.00 51.23 H new ATOM 1775 N LYS A 112 25.130 -26.634 6.573 1.00 2.44 N ATOM 1776 CA LYS A 112 24.903 -27.734 7.503 1.00 55.15 C ATOM 1777 C LYS A 112 26.216 -28.423 7.861 1.00 30.53 C ATOM 1778 O LYS A 112 26.395 -28.892 8.985 1.00 33.41 O ATOM 1779 CB LYS A 112 23.931 -28.749 6.895 1.00 55.35 C ATOM 1780 CG LYS A 112 22.672 -28.954 7.719 1.00 52.34 C ATOM 1781 CD LYS A 112 22.877 -30.006 8.797 1.00 54.13 C ATOM 1782 CE LYS A 112 21.551 -30.559 9.295 1.00 53.33 C ATOM 1783 NZ LYS A 112 21.738 -31.534 10.405 1.00 34.13 N1+ ATOM 0 H LYS A 112 24.768 -26.795 5.633 1.00 2.44 H new ATOM 0 HA LYS A 112 24.468 -27.324 8.414 1.00 55.15 H new ATOM 0 HB2 LYS A 112 23.651 -28.417 5.895 1.00 55.35 H new ATOM 0 HB3 LYS A 112 24.441 -29.706 6.782 1.00 55.35 H new ATOM 0 HG2 LYS A 112 22.380 -28.011 8.181 1.00 52.34 H new ATOM 0 HG3 LYS A 112 21.853 -29.256 7.066 1.00 52.34 H new ATOM 0 HD2 LYS A 112 23.486 -30.819 8.402 1.00 54.13 H new ATOM 0 HD3 LYS A 112 23.427 -29.571 9.631 1.00 54.13 H new ATOM 0 HE2 LYS A 112 20.920 -29.738 9.635 1.00 53.33 H new ATOM 0 HE3 LYS A 112 21.027 -31.043 8.471 1.00 53.33 H new ATOM 0 HZ1 LYS A 112 20.811 -31.888 10.716 1.00 34.13 H new ATOM 0 HZ2 LYS A 112 22.319 -32.330 10.073 1.00 34.13 H new ATOM 0 HZ3 LYS A 112 22.215 -31.066 11.202 1.00 34.13 H new ATOM 1797 N LYS A 113 27.131 -28.480 6.901 1.00 14.14 N ATOM 1798 CA LYS A 113 28.428 -29.108 7.116 1.00 44.54 C ATOM 1799 C LYS A 113 29.226 -28.360 8.180 1.00 73.54 C ATOM 1800 O LYS A 113 29.859 -28.972 9.040 1.00 24.32 O ATOM 1801 CB LYS A 113 29.221 -29.152 5.807 1.00 34.45 C ATOM 1802 CG LYS A 113 30.052 -30.412 5.641 1.00 31.23 C ATOM 1803 CD LYS A 113 31.533 -30.092 5.527 1.00 1.14 C ATOM 1804 CE LYS A 113 32.371 -31.357 5.423 1.00 60.40 C ATOM 1805 NZ LYS A 113 33.830 -31.063 5.472 1.00 32.31 N1+ ATOM 0 H LYS A 113 26.998 -28.098 5.965 1.00 14.14 H new ATOM 0 HA LYS A 113 28.256 -30.126 7.464 1.00 44.54 H new ATOM 0 HB2 LYS A 113 28.528 -29.071 4.969 1.00 34.45 H new ATOM 0 HB3 LYS A 113 29.879 -28.284 5.761 1.00 34.45 H new ATOM 0 HG2 LYS A 113 29.886 -31.073 6.492 1.00 31.23 H new ATOM 0 HG3 LYS A 113 29.725 -30.950 4.751 1.00 31.23 H new ATOM 0 HD2 LYS A 113 31.705 -29.468 4.650 1.00 1.14 H new ATOM 0 HD3 LYS A 113 31.849 -29.515 6.396 1.00 1.14 H new ATOM 0 HE2 LYS A 113 32.110 -32.033 6.237 1.00 60.40 H new ATOM 0 HE3 LYS A 113 32.136 -31.873 4.492 1.00 60.40 H new ATOM 0 HZ1 LYS A 113 34.366 -31.951 5.398 1.00 32.31 H new ATOM 0 HZ2 LYS A 113 34.085 -30.438 4.681 1.00 32.31 H new ATOM 0 HZ3 LYS A 113 34.060 -30.594 6.371 1.00 32.31 H new ATOM 1819 N LYS A 114 29.190 -27.034 8.116 1.00 74.24 N ATOM 1820 CA LYS A 114 29.906 -26.202 9.075 1.00 4.33 C ATOM 1821 C LYS A 114 29.449 -26.496 10.500 1.00 75.30 C ATOM 1822 O LYS A 114 30.218 -26.358 11.450 1.00 64.22 O ATOM 1823 CB LYS A 114 29.693 -24.721 8.755 1.00 4.43 C ATOM 1824 CG LYS A 114 30.982 -23.918 8.702 1.00 11.22 C ATOM 1825 CD LYS A 114 30.917 -22.700 9.608 1.00 11.41 C ATOM 1826 CE LYS A 114 31.918 -21.635 9.182 1.00 65.04 C ATOM 1827 NZ LYS A 114 31.466 -20.902 7.968 1.00 40.04 N1+ ATOM 0 H LYS A 114 28.672 -26.512 7.409 1.00 74.24 H new ATOM 0 HA LYS A 114 30.968 -26.435 8.998 1.00 4.33 H new ATOM 0 HB2 LYS A 114 29.182 -24.635 7.796 1.00 4.43 H new ATOM 0 HB3 LYS A 114 29.035 -24.286 9.507 1.00 4.43 H new ATOM 0 HG2 LYS A 114 31.818 -24.550 9.000 1.00 11.22 H new ATOM 0 HG3 LYS A 114 31.172 -23.600 7.677 1.00 11.22 H new ATOM 0 HD2 LYS A 114 29.910 -22.283 9.588 1.00 11.41 H new ATOM 0 HD3 LYS A 114 31.118 -22.999 10.637 1.00 11.41 H new ATOM 0 HE2 LYS A 114 32.066 -20.928 9.999 1.00 65.04 H new ATOM 0 HE3 LYS A 114 32.883 -22.102 8.986 1.00 65.04 H new ATOM 0 HZ1 LYS A 114 32.073 -20.071 7.818 1.00 40.04 H new ATOM 0 HZ2 LYS A 114 31.528 -21.529 7.141 1.00 40.04 H new ATOM 0 HZ3 LYS A 114 30.481 -20.593 8.096 1.00 40.04 H new ATOM 1841 N ALA A 115 28.191 -26.904 10.640 1.00 44.35 N ATOM 1842 CA ALA A 115 27.633 -27.222 11.948 1.00 10.02 C ATOM 1843 C ALA A 115 27.277 -28.701 12.049 1.00 41.35 C ATOM 1844 O ALA A 115 26.225 -29.061 12.579 1.00 10.52 O ATOM 1845 CB ALA A 115 26.407 -26.362 12.221 1.00 64.33 C ATOM 0 H ALA A 115 27.540 -27.022 9.864 1.00 44.35 H new ATOM 0 HA ALA A 115 28.391 -27.006 12.701 1.00 10.02 H new ATOM 0 HB1 ALA A 115 26.000 -26.610 13.201 1.00 64.33 H new ATOM 0 HB2 ALA A 115 26.689 -25.309 12.201 1.00 64.33 H new ATOM 0 HB3 ALA A 115 25.653 -26.550 11.457 1.00 64.33 H new ATOM 1851 N GLN A 116 28.160 -29.553 11.538 1.00 75.13 N ATOM 1852 CA GLN A 116 27.936 -30.994 11.569 1.00 10.33 C ATOM 1853 C GLN A 116 29.207 -31.750 11.197 1.00 62.22 C ATOM 1854 O GLN A 116 29.148 -32.837 10.623 1.00 42.23 O ATOM 1855 CB GLN A 116 26.804 -31.377 10.615 1.00 70.42 C ATOM 1856 CG GLN A 116 26.091 -32.663 11.002 1.00 73.24 C ATOM 1857 CD GLN A 116 25.669 -33.481 9.797 1.00 52.00 C ATOM 1858 OE1 GLN A 116 25.056 -32.962 8.863 1.00 45.52 O ATOM 1859 NE2 GLN A 116 25.993 -34.768 9.812 1.00 40.43 N ATOM 0 H GLN A 116 29.036 -29.271 11.098 1.00 75.13 H new ATOM 0 HA GLN A 116 27.654 -31.270 12.585 1.00 10.33 H new ATOM 0 HB2 GLN A 116 26.078 -30.565 10.581 1.00 70.42 H new ATOM 0 HB3 GLN A 116 27.209 -31.484 9.609 1.00 70.42 H new ATOM 0 HG2 GLN A 116 26.748 -33.263 11.632 1.00 73.24 H new ATOM 0 HG3 GLN A 116 25.211 -32.421 11.598 1.00 73.24 H new ATOM 0 HE21 GLN A 116 26.501 -35.157 10.606 1.00 40.43 H new ATOM 0 HE22 GLN A 116 25.734 -35.368 9.029 1.00 40.43 H new ATOM 1868 N GLN A 117 30.355 -31.168 11.529 1.00 4.11 N ATOM 1869 CA GLN A 117 31.640 -31.786 11.229 1.00 65.32 C ATOM 1870 C GLN A 117 32.026 -32.792 12.309 1.00 5.24 C ATOM 1871 O GLN A 117 32.652 -33.812 12.026 1.00 61.23 O ATOM 1872 CB GLN A 117 32.728 -30.718 11.100 1.00 73.41 C ATOM 1873 CG GLN A 117 33.603 -30.886 9.868 1.00 74.54 C ATOM 1874 CD GLN A 117 34.465 -32.132 9.930 1.00 24.22 C ATOM 1875 OE1 GLN A 117 35.105 -32.406 10.946 1.00 73.44 O ATOM 1876 NE2 GLN A 117 34.487 -32.893 8.842 1.00 22.53 N ATOM 0 H GLN A 117 30.421 -30.269 12.006 1.00 4.11 H new ATOM 0 HA GLN A 117 31.546 -32.315 10.281 1.00 65.32 H new ATOM 0 HB2 GLN A 117 32.258 -29.735 11.071 1.00 73.41 H new ATOM 0 HB3 GLN A 117 33.358 -30.744 11.989 1.00 73.41 H new ATOM 0 HG2 GLN A 117 32.971 -30.930 8.981 1.00 74.54 H new ATOM 0 HG3 GLN A 117 34.243 -30.011 9.760 1.00 74.54 H new ATOM 0 HE21 GLN A 117 33.941 -32.627 8.023 1.00 22.53 H new ATOM 0 HE22 GLN A 117 35.050 -33.743 8.826 1.00 22.53 H new ATOM 1885 N ALA A 118 31.648 -32.495 13.550 1.00 54.42 N ATOM 1886 CA ALA A 118 31.952 -33.374 14.671 1.00 44.41 C ATOM 1887 C ALA A 118 30.773 -34.284 14.993 1.00 74.52 C ATOM 1888 O ALA A 118 30.607 -34.725 16.130 1.00 11.42 O ATOM 1889 CB ALA A 118 32.338 -32.554 15.894 1.00 63.20 C ATOM 0 H ALA A 118 31.131 -31.653 13.802 1.00 54.42 H new ATOM 0 HA ALA A 118 32.795 -34.004 14.387 1.00 44.41 H new ATOM 0 HB1 ALA A 118 32.563 -33.223 16.725 1.00 63.20 H new ATOM 0 HB2 ALA A 118 33.217 -31.951 15.665 1.00 63.20 H new ATOM 0 HB3 ALA A 118 31.511 -31.899 16.169 1.00 63.20 H new ATOM 1895 N ALA A 119 29.953 -34.562 13.984 1.00 12.35 N ATOM 1896 CA ALA A 119 28.788 -35.420 14.159 1.00 31.22 C ATOM 1897 C ALA A 119 28.575 -36.311 12.940 1.00 22.42 C ATOM 1898 O ALA A 119 27.440 -36.624 12.580 1.00 53.43 O ATOM 1899 CB ALA A 119 27.548 -34.579 14.424 1.00 60.42 C ATOM 0 H ALA A 119 30.075 -34.205 13.036 1.00 12.35 H new ATOM 0 HA ALA A 119 28.967 -36.064 15.020 1.00 31.22 H new ATOM 0 HB1 ALA A 119 26.686 -35.233 14.553 1.00 60.42 H new ATOM 0 HB2 ALA A 119 27.695 -33.990 15.329 1.00 60.42 H new ATOM 0 HB3 ALA A 119 27.374 -33.911 13.580 1.00 60.42 H new ATOM 1905 N ALA A 120 29.672 -36.715 12.309 1.00 70.01 N ATOM 1906 CA ALA A 120 29.604 -37.571 11.131 1.00 65.44 C ATOM 1907 C ALA A 120 30.551 -38.759 11.261 1.00 61.00 C ATOM 1908 O ALA A 120 31.059 -39.273 10.264 1.00 60.10 O ATOM 1909 CB ALA A 120 29.928 -36.771 9.878 1.00 54.14 C ATOM 0 H ALA A 120 30.619 -36.463 12.594 1.00 70.01 H new ATOM 0 HA ALA A 120 28.588 -37.956 11.050 1.00 65.44 H new ATOM 0 HB1 ALA A 120 29.874 -37.423 9.006 1.00 54.14 H new ATOM 0 HB2 ALA A 120 29.210 -35.958 9.769 1.00 54.14 H new ATOM 0 HB3 ALA A 120 30.933 -36.358 9.960 1.00 54.14 H new ATOM 1915 N ASP A 121 30.785 -39.192 12.496 1.00 12.45 N ATOM 1916 CA ASP A 121 31.671 -40.319 12.756 1.00 44.34 C ATOM 1917 C ASP A 121 30.871 -41.563 13.135 1.00 2.42 C ATOM 1918 O ASP A 121 31.309 -42.371 13.955 1.00 1.12 O ATOM 1919 CB ASP A 121 32.658 -39.974 13.872 1.00 42.41 C ATOM 1920 CG ASP A 121 33.991 -40.677 13.705 1.00 10.11 C ATOM 1921 OD1 ASP A 121 33.992 -41.859 13.304 1.00 42.14 O ATOM 1922 OD2 ASP A 121 35.033 -40.044 13.974 1.00 41.21 O1- ATOM 0 H ASP A 121 30.373 -38.778 13.332 1.00 12.45 H new ATOM 0 HA ASP A 121 32.227 -40.530 11.842 1.00 44.34 H new ATOM 0 HB2 ASP A 121 32.819 -38.896 13.890 1.00 42.41 H new ATOM 0 HB3 ASP A 121 32.224 -40.248 14.834 1.00 42.41 H new ATOM 1927 N THR A 122 29.695 -41.710 12.533 1.00 4.23 N ATOM 1928 CA THR A 122 28.833 -42.851 12.808 1.00 41.03 C ATOM 1929 C THR A 122 28.661 -43.722 11.568 1.00 31.45 C ATOM 1930 O THR A 122 28.631 -43.219 10.446 1.00 51.24 O ATOM 1931 CB THR A 122 27.445 -42.403 13.304 1.00 12.54 C ATOM 1932 OG1 THR A 122 26.903 -41.420 12.414 1.00 31.15 O ATOM 1933 CG2 THR A 122 27.533 -41.828 14.709 1.00 20.31 C ATOM 0 H THR A 122 29.318 -41.052 11.851 1.00 4.23 H new ATOM 0 HA THR A 122 29.319 -43.431 13.592 1.00 41.03 H new ATOM 0 HB THR A 122 26.791 -43.275 13.326 1.00 12.54 H new ATOM 0 HG1 THR A 122 26.020 -41.141 12.734 1.00 31.15 H new ATOM 0 HG21 THR A 122 26.541 -41.518 15.038 1.00 20.31 H new ATOM 0 HG22 THR A 122 27.921 -42.587 15.389 1.00 20.31 H new ATOM 0 HG23 THR A 122 28.200 -40.966 14.708 1.00 20.31 H new ATOM 1941 N GLY A 123 28.545 -45.029 11.779 1.00 73.53 N ATOM 1942 CA GLY A 123 28.375 -45.948 10.669 1.00 51.53 C ATOM 1943 C GLY A 123 26.927 -46.084 10.245 1.00 72.34 C ATOM 1944 O GLY A 123 26.140 -45.148 10.387 1.00 42.12 O ATOM 0 H GLY A 123 28.566 -45.468 12.699 1.00 73.53 H new ATOM 0 HA2 GLY A 123 28.967 -45.603 9.822 1.00 51.53 H new ATOM 0 HA3 GLY A 123 28.761 -46.928 10.950 1.00 51.53 H new ATOM 1948 N ASN A 124 26.573 -47.253 9.721 1.00 73.34 N ATOM 1949 CA ASN A 124 25.208 -47.509 9.273 1.00 10.13 C ATOM 1950 C ASN A 124 24.927 -49.007 9.208 1.00 4.25 C ATOM 1951 O ASN A 124 23.915 -49.481 9.721 1.00 35.42 O ATOM 1952 CB ASN A 124 24.974 -46.875 7.900 1.00 35.22 C ATOM 1953 CG ASN A 124 26.107 -47.154 6.933 1.00 71.42 C ATOM 1954 OD1 ASN A 124 26.041 -48.090 6.136 1.00 54.33 O ATOM 1955 ND2 ASN A 124 27.155 -46.342 7.000 1.00 13.51 N ATOM 0 H ASN A 124 27.212 -48.038 9.596 1.00 73.34 H new ATOM 0 HA ASN A 124 24.525 -47.061 9.995 1.00 10.13 H new ATOM 0 HB2 ASN A 124 24.042 -47.255 7.482 1.00 35.22 H new ATOM 0 HB3 ASN A 124 24.856 -45.798 8.016 1.00 35.22 H new ATOM 0 HD21 ASN A 124 27.949 -46.481 6.375 1.00 13.51 H new ATOM 0 HD22 ASN A 124 27.166 -45.579 7.677 1.00 13.51 H new ATOM 1962 N ASN A 125 25.833 -49.746 8.577 1.00 72.21 N ATOM 1963 CA ASN A 125 25.684 -51.190 8.445 1.00 62.22 C ATOM 1964 C ASN A 125 26.902 -51.805 7.763 1.00 2.25 C ATOM 1965 O ASN A 125 27.505 -52.746 8.277 1.00 4.21 O ATOM 1966 CB ASN A 125 24.420 -51.523 7.650 1.00 61.54 C ATOM 1967 CG ASN A 125 24.212 -50.587 6.475 1.00 24.34 C ATOM 1968 OD1 ASN A 125 23.713 -49.473 6.637 1.00 52.42 O ATOM 1969 ND2 ASN A 125 24.595 -51.036 5.286 1.00 2.32 N ATOM 0 H ASN A 125 26.678 -49.368 8.149 1.00 72.21 H new ATOM 0 HA ASN A 125 25.599 -51.613 9.446 1.00 62.22 H new ATOM 0 HB2 ASN A 125 24.482 -52.549 7.287 1.00 61.54 H new ATOM 0 HB3 ASN A 125 23.554 -51.470 8.310 1.00 61.54 H new ATOM 0 HD21 ASN A 125 24.480 -50.451 4.459 1.00 2.32 H new ATOM 0 HD22 ASN A 125 25.004 -51.966 5.200 1.00 2.32 H new ATOM 1976 N SER A 126 27.260 -51.262 6.604 1.00 52.05 N ATOM 1977 CA SER A 126 28.406 -51.758 5.849 1.00 53.10 C ATOM 1978 C SER A 126 29.709 -51.204 6.415 1.00 11.44 C ATOM 1979 O SER A 126 30.274 -50.251 5.879 1.00 41.42 O ATOM 1980 CB SER A 126 28.274 -51.378 4.373 1.00 35.04 C ATOM 1981 OG SER A 126 27.333 -52.208 3.714 1.00 61.41 O ATOM 0 H SER A 126 26.774 -50.479 6.167 1.00 52.05 H new ATOM 0 HA SER A 126 28.426 -52.844 5.936 1.00 53.10 H new ATOM 0 HB2 SER A 126 27.966 -50.336 4.289 1.00 35.04 H new ATOM 0 HB3 SER A 126 29.244 -51.464 3.884 1.00 35.04 H new ATOM 0 HG SER A 126 27.266 -51.943 2.773 1.00 61.41 H new ATOM 1987 N GLN A 127 30.180 -51.809 7.500 1.00 3.40 N ATOM 1988 CA GLN A 127 31.418 -51.375 8.139 1.00 71.23 C ATOM 1989 C GLN A 127 32.596 -52.224 7.675 1.00 10.35 C ATOM 1990 O GLN A 127 32.417 -53.340 7.187 1.00 13.51 O ATOM 1991 CB GLN A 127 31.285 -51.454 9.662 1.00 74.12 C ATOM 1992 CG GLN A 127 30.745 -50.181 10.292 1.00 24.32 C ATOM 1993 CD GLN A 127 29.239 -50.210 10.467 1.00 43.01 C ATOM 1994 OE1 GLN A 127 28.525 -49.361 9.934 1.00 33.15 O ATOM 1995 NE2 GLN A 127 28.748 -51.190 11.217 1.00 41.31 N ATOM 0 H GLN A 127 29.725 -52.600 7.955 1.00 3.40 H new ATOM 0 HA GLN A 127 31.604 -50.340 7.851 1.00 71.23 H new ATOM 0 HB2 GLN A 127 30.627 -52.284 9.918 1.00 74.12 H new ATOM 0 HB3 GLN A 127 32.261 -51.677 10.093 1.00 74.12 H new ATOM 0 HG2 GLN A 127 31.217 -50.032 11.263 1.00 24.32 H new ATOM 0 HG3 GLN A 127 31.018 -49.328 9.671 1.00 24.32 H new ATOM 0 HE21 GLN A 127 29.377 -51.873 11.640 1.00 41.31 H new ATOM 0 HE22 GLN A 127 27.742 -51.260 11.370 1.00 41.31 H new ATOM 2004 N VAL A 128 33.803 -51.687 7.831 1.00 51.44 N ATOM 2005 CA VAL A 128 35.012 -52.396 7.428 1.00 53.33 C ATOM 2006 C VAL A 128 35.051 -53.799 8.022 1.00 62.01 C ATOM 2007 O VAL A 128 34.691 -54.003 9.182 1.00 54.33 O ATOM 2008 CB VAL A 128 36.279 -51.633 7.857 1.00 44.14 C ATOM 2009 CG1 VAL A 128 36.324 -51.482 9.370 1.00 62.33 C ATOM 2010 CG2 VAL A 128 37.525 -52.339 7.346 1.00 62.51 C ATOM 0 H VAL A 128 33.969 -50.764 8.233 1.00 51.44 H new ATOM 0 HA VAL A 128 34.990 -52.466 6.340 1.00 53.33 H new ATOM 0 HB VAL A 128 36.249 -50.636 7.417 1.00 44.14 H new ATOM 0 HG11 VAL A 128 37.226 -50.941 9.655 1.00 62.33 H new ATOM 0 HG12 VAL A 128 35.447 -50.929 9.707 1.00 62.33 H new ATOM 0 HG13 VAL A 128 36.331 -52.468 9.834 1.00 62.33 H new ATOM 0 HG21 VAL A 128 38.411 -51.786 7.659 1.00 62.51 H new ATOM 0 HG22 VAL A 128 37.565 -53.349 7.755 1.00 62.51 H new ATOM 0 HG23 VAL A 128 37.494 -52.389 6.258 1.00 62.51 H new ATOM 2020 N SER A 129 35.490 -54.764 7.220 1.00 3.02 N ATOM 2021 CA SER A 129 35.572 -56.150 7.666 1.00 0.43 C ATOM 2022 C SER A 129 36.428 -56.266 8.924 1.00 35.11 C ATOM 2023 O SER A 129 37.426 -55.561 9.075 1.00 32.11 O ATOM 2024 CB SER A 129 36.154 -57.029 6.557 1.00 63.45 C ATOM 2025 OG SER A 129 37.277 -56.413 5.951 1.00 35.15 O ATOM 0 H SER A 129 35.794 -54.612 6.258 1.00 3.02 H new ATOM 0 HA SER A 129 34.564 -56.492 7.901 1.00 0.43 H new ATOM 0 HB2 SER A 129 36.445 -57.995 6.970 1.00 63.45 H new ATOM 0 HB3 SER A 129 35.390 -57.221 5.803 1.00 63.45 H new ATOM 0 HG SER A 129 37.630 -56.997 5.247 1.00 35.15 H new ATOM 2031 N GLN A 130 36.029 -57.159 9.822 1.00 60.24 N ATOM 2032 CA GLN A 130 36.758 -57.368 11.068 1.00 50.14 C ATOM 2033 C GLN A 130 38.185 -57.829 10.793 1.00 14.44 C ATOM 2034 O GLN A 130 38.569 -58.041 9.643 1.00 31.23 O ATOM 2035 CB GLN A 130 36.037 -58.397 11.940 1.00 73.04 C ATOM 2036 CG GLN A 130 35.841 -59.742 11.258 1.00 52.42 C ATOM 2037 CD GLN A 130 34.409 -60.232 11.334 1.00 72.33 C ATOM 2038 OE1 GLN A 130 33.503 -59.631 10.758 1.00 35.13 O ATOM 2039 NE2 GLN A 130 34.197 -61.332 12.048 1.00 71.43 N ATOM 0 H GLN A 130 35.205 -57.750 9.711 1.00 60.24 H new ATOM 0 HA GLN A 130 36.798 -56.417 11.599 1.00 50.14 H new ATOM 0 HB2 GLN A 130 36.605 -58.544 12.859 1.00 73.04 H new ATOM 0 HB3 GLN A 130 35.064 -57.999 12.227 1.00 73.04 H new ATOM 0 HG2 GLN A 130 36.138 -59.662 10.212 1.00 52.42 H new ATOM 0 HG3 GLN A 130 36.498 -60.479 11.720 1.00 52.42 H new ATOM 0 HE21 GLN A 130 34.978 -61.799 12.509 1.00 71.43 H new ATOM 0 HE22 GLN A 130 33.254 -61.710 12.135 1.00 71.43 H new ATOM 2048 N ASN A 131 38.968 -57.979 11.856 1.00 0.45 N ATOM 2049 CA ASN A 131 40.355 -58.413 11.728 1.00 1.34 C ATOM 2050 C ASN A 131 40.724 -59.390 12.840 1.00 62.12 C ATOM 2051 O ASN A 131 40.565 -59.089 14.024 1.00 63.11 O ATOM 2052 CB ASN A 131 41.294 -57.206 11.763 1.00 11.31 C ATOM 2053 CG ASN A 131 41.447 -56.553 10.403 1.00 40.30 C ATOM 2054 OD1 ASN A 131 40.731 -55.608 10.071 1.00 23.22 O ATOM 2055 ND2 ASN A 131 42.385 -57.055 9.608 1.00 73.45 N ATOM 0 H ASN A 131 38.666 -57.807 12.815 1.00 0.45 H new ATOM 0 HA ASN A 131 40.463 -58.922 10.770 1.00 1.34 H new ATOM 0 HB2 ASN A 131 40.913 -56.473 12.474 1.00 11.31 H new ATOM 0 HB3 ASN A 131 42.273 -57.521 12.124 1.00 11.31 H new ATOM 0 HD21 ASN A 131 42.535 -56.656 8.681 1.00 73.45 H new ATOM 0 HD22 ASN A 131 42.956 -57.839 9.924 1.00 73.45 H new ATOM 2062 N TYR A 132 41.217 -60.561 12.452 1.00 61.01 N ATOM 2063 CA TYR A 132 41.606 -61.584 13.415 1.00 23.24 C ATOM 2064 C TYR A 132 42.624 -61.035 14.410 1.00 43.45 C ATOM 2065 O TYR A 132 42.268 -60.778 15.559 1.00 64.43 O ATOM 2066 CB TYR A 132 42.187 -62.800 12.692 1.00 20.21 C ATOM 2067 CG TYR A 132 41.327 -64.040 12.807 1.00 11.23 C ATOM 2068 CD1 TYR A 132 40.168 -64.176 12.054 1.00 32.35 C ATOM 2069 CD2 TYR A 132 41.674 -65.073 13.668 1.00 4.31 C ATOM 2070 CE1 TYR A 132 39.379 -65.306 12.156 1.00 40.31 C ATOM 2071 CE2 TYR A 132 40.893 -66.207 13.776 1.00 11.45 C ATOM 2072 CZ TYR A 132 39.746 -66.319 13.018 1.00 2.34 C ATOM 2073 OH TYR A 132 38.965 -67.446 13.123 1.00 34.42 O ATOM 0 H TYR A 132 41.357 -60.825 11.477 1.00 61.01 H new ATOM 0 HA TYR A 132 40.715 -61.888 13.964 1.00 23.24 H new ATOM 0 HB2 TYR A 132 42.320 -62.556 11.638 1.00 20.21 H new ATOM 0 HB3 TYR A 132 43.176 -63.015 13.097 1.00 20.21 H new ATOM 0 HD1 TYR A 132 39.878 -63.386 11.377 1.00 32.35 H new ATOM 0 HD2 TYR A 132 42.571 -64.988 14.264 1.00 4.31 H new ATOM 0 HE1 TYR A 132 38.480 -65.396 11.564 1.00 40.31 H new ATOM 0 HE2 TYR A 132 41.179 -67.001 14.450 1.00 11.45 H new ATOM 0 HH TYR A 132 39.365 -68.062 13.772 1.00 34.42 H new TER 2083 TYR A 132 HETATM 2084 N 8SP A 300 3.607 -33.634 9.040 1.00 4.14 N HETATM 2085 P 8SP A 300 1.204 -30.412 7.137 1.00 10.12 P HETATM 2086 OG 8SP A 300 1.056 -31.328 8.437 1.00 53.14 O HETATM 2087 C1A 8SP A 300 5.422 -26.905 10.527 1.00 61.41 C HETATM 2088 O1A 8SP A 300 6.556 -27.366 10.251 1.00 73.42 O HETATM 2089 C1B 8SP A 300 2.469 -25.094 5.969 1.00 1.34 C HETATM 2090 O1B 8SP A 300 1.756 -24.334 6.668 1.00 53.31 O HETATM 2091 CB 8SP A 300 2.226 -31.596 9.241 1.00 13.10 C HETATM 2092 C1G 8SP A 300 4.538 -27.223 8.208 1.00 3.53 C HETATM 2093 O1G 8SP A 300 4.481 -26.738 9.555 1.00 60.13 O HETATM 2094 C2A 8SP A 300 5.037 -26.544 11.908 1.00 53.21 C HETATM 2095 C2B 8SP A 300 2.365 -25.121 4.494 1.00 60.03 C HETATM 2096 CA 8SP A 300 2.369 -33.090 9.625 1.00 33.42 C HETATM 2097 C2G 8SP A 300 3.193 -26.982 7.480 1.00 33.30 C HETATM 2098 O2G 8SP A 300 3.403 -25.904 6.551 1.00 21.54 O HETATM 2099 O2P 8SP A 300 2.167 -30.938 6.167 1.00 62.04 O HETATM 2100 C3A 8SP A 300 5.106 -27.696 12.948 1.00 42.40 C HETATM 2101 C3B 8SP A 300 3.612 -24.594 3.727 1.00 32.14 C HETATM 2102 C 8SP A 300 1.231 -33.917 9.178 1.00 62.24 C HETATM 2103 O 8SP A 300 0.066 -33.685 9.569 1.00 33.14 O HETATM 2104 OXT 8SP A 300 1.423 -34.926 8.292 1.00 23.54 O HETATM 2105 C3G 8SP A 300 2.632 -28.262 6.800 1.00 60.20 C HETATM 2106 O3G 8SP A 300 1.653 -28.950 7.620 1.00 32.10 O HETATM 2107 O3P 8SP A 300 -0.220 -30.270 6.458 1.00 2.54 O HETATM 2108 C4A 8SP A 300 3.698 -28.175 13.392 1.00 62.43 C HETATM 2109 C4B 8SP A 300 3.247 -23.896 2.387 1.00 45.32 C HETATM 2110 C5A 8SP A 300 3.515 -28.159 14.933 1.00 45.34 C HETATM 2111 C5B 8SP A 300 3.827 -22.459 2.285 1.00 40.32 C HETATM 2112 C6A 8SP A 300 2.654 -29.345 15.445 1.00 62.02 C HETATM 2113 C6B 8SP A 300 4.651 -22.229 0.989 1.00 14.10 C HETATM 2114 C7A 8SP A 300 1.223 -29.345 14.843 1.00 21.43 C HETATM 2115 C7B 8SP A 300 4.292 -20.895 0.283 1.00 34.32 C HETATM 2116 C8A 8SP A 300 0.322 -30.447 15.444 1.00 35.11 C HETATM 2117 C8B 8SP A 300 3.901 -21.081 -1.201 1.00 4.21 C HETATM 0 H38B 8SP A 300 4.734 -21.528 -1.744 1.00 4.21 H new HETATM 0 H38A 8SP A 300 0.765 -31.424 15.251 1.00 35.11 H new HETATM 0 H28B 8SP A 300 3.031 -21.735 -1.269 1.00 4.21 H new HETATM 0 H28A 8SP A 300 0.231 -30.296 16.520 1.00 35.11 H new HETATM 0 H27B 8SP A 300 3.466 -20.421 0.813 1.00 34.32 H new HETATM 0 H27A 8SP A 300 0.762 -28.372 15.013 1.00 21.43 H new HETATM 0 H26B 8SP A 300 5.713 -22.232 1.233 1.00 14.10 H new HETATM 0 H26A 8SP A 300 3.149 -30.283 15.196 1.00 62.02 H new HETATM 0 H25B 8SP A 300 3.009 -21.739 2.322 1.00 40.32 H new HETATM 0 H25A 8SP A 300 4.494 -28.192 15.412 1.00 45.34 H new HETATM 0 H24B 8SP A 300 3.621 -24.495 1.556 1.00 45.32 H new HETATM 0 H24A 8SP A 300 2.941 -27.538 12.934 1.00 62.43 H new HETATM 0 H23G 8SP A 300 2.176 -27.992 5.847 1.00 60.20 H new HETATM 0 H23B 8SP A 300 4.152 -23.891 4.361 1.00 32.14 H new HETATM 0 H23A 8SP A 300 5.655 -28.535 12.521 1.00 42.40 H new HETATM 0 H22B 8SP A 300 2.173 -26.147 4.179 1.00 60.03 H new HETATM 0 H22A 8SP A 300 5.684 -25.734 12.246 1.00 53.21 H new HETATM 0 H21G 8SP A 300 5.343 -26.722 7.670 1.00 3.53 H new HETATM 0 H18B 8SP A 300 3.661 -20.112 -1.638 1.00 4.21 H new HETATM 0 H18A 8SP A 300 -0.666 -30.399 14.986 1.00 35.11 H new HETATM 0 H17B 8SP A 300 5.143 -20.217 0.346 1.00 34.32 H new HETATM 0 H17A 8SP A 300 1.288 -29.483 13.764 1.00 21.43 H new HETATM 0 H16B 8SP A 300 4.479 -23.057 0.302 1.00 14.10 H new HETATM 0 H16A 8SP A 300 2.587 -29.299 16.532 1.00 62.02 H new HETATM 0 H15B 8SP A 300 4.460 -22.266 3.151 1.00 40.32 H new HETATM 0 H15A 8SP A 300 3.047 -27.220 15.230 1.00 45.34 H new HETATM 0 H14B 8SP A 300 2.162 -23.854 2.287 1.00 45.32 H new HETATM 0 H14A 8SP A 300 3.530 -29.186 13.021 1.00 62.43 H new HETATM 0 H13G 8SP A 300 3.455 -28.941 6.578 1.00 60.20 H new HETATM 0 H13B 8SP A 300 4.287 -25.426 3.526 1.00 32.14 H new HETATM 0 H13A 8SP A 300 5.665 -27.361 13.821 1.00 42.40 H new HETATM 0 H12B 8SP A 300 1.500 -24.529 4.197 1.00 60.03 H new HETATM 0 H12A 8SP A 300 4.019 -26.154 11.892 1.00 53.21 H new HETATM 0 H11G 8SP A 300 4.770 -28.288 8.210 1.00 3.53 H new HETATM 0 HXT 8SP A 300 0.624 -35.493 8.263 1.00 23.54 H new HETATM 0 HB3 8SP A 300 2.180 -30.996 10.150 1.00 13.10 H new HETATM 0 HB2 8SP A 300 3.115 -31.280 8.695 1.00 13.10 H new HETATM 0 HA 8SP A 300 2.395 -33.130 10.714 1.00 33.42 H new HETATM 0 H2G 8SP A 300 2.423 -26.711 8.202 1.00 33.30 H new HETATM 0 H2 8SP A 300 3.858 -34.610 9.195 1.00 4.14 H new HETATM 0 H 8SP A 300 4.213 -33.034 8.480 1.00 4.14 H new