USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot -120:sc= 0.787 USER MOD Set 1.2: A 75 TYR OH : rot 15:sc= 0.569 USER MOD Set 2.1: A 64 LYS NZ :NH3+ -161:sc= 2.34 (180deg=0.199) USER MOD Set 2.2: A 65 ASN : amide:sc= 0.857 K(o=3.2,f=-11!) USER MOD Set 3.1: A 38 GLN : amide:sc= 1.97 K(o=3.3,f=0.56) USER MOD Set 3.2: A 47 GLN : amide:sc= 1.34 K(o=3.3,f=0.56) USER MOD Set 4.1: A 15 ASN : amide:sc= -0.799 K(o=1.6,f=0.68) USER MOD Set 4.2: A 17 HIS : no HD1:sc= 1.02 K(o=1.6,f=-6.8!) USER MOD Set 4.3: A 91 SER OG : rot -143:sc= 1.34 USER MOD Single : A 21 TYR OH : rot 110:sc= 0.248 USER MOD Single : A 22 GLN : amide:sc= 0.506 K(o=0.51,f=-7.4!) USER MOD Single : A 23 GLN : amide:sc= 0.613 K(o=0.61,f=-7.2!) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 33 ASN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00705 USER MOD Single : A 37 GLN : amide:sc= -0.743 K(o=-0.74,f=-5!) USER MOD Single : A 40 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-7.9!) USER MOD Single : A 43 SER OG : rot 10:sc= 1.15 USER MOD Single : A 44 ASN : amide:sc= 0.19 K(o=0.19,f=-8.7!) USER MOD Single : A 56 MET CE :methyl 137:sc= -0.371 (180deg=-1.29) USER MOD Single : A 60 HIS : no HE2:sc= 0.811 K(o=0.81,f=-3.2!) USER MOD Single : A 67 TYR OH : rot 94:sc= 0.469 USER MOD Single : A 70 THR OG1 : rot -59:sc= 0.473 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.0464 K(o=0.046,f=-0.68) USER MOD Single : A 85 GLN : amide:sc= -0.0928 X(o=-0.093,f=0) USER MOD Single : A 87 MET CE :methyl 175:sc= -0.978 (180deg=-1.16) USER MOD Single : A 89 SER OG : rot 78:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -3.514 -4.929 -8.380 1.00 25.52 N ATOM 2 CA ASP A 14 -2.916 -3.714 -7.847 1.00 63.52 C ATOM 3 C ASP A 14 -2.563 -2.861 -9.024 1.00 4.42 C ATOM 4 O ASP A 14 -2.159 -3.404 -10.042 1.00 54.42 O ATOM 5 CB ASP A 14 -1.659 -4.045 -7.066 1.00 63.41 C ATOM 6 CG ASP A 14 -1.137 -2.853 -6.323 1.00 15.41 C ATOM 7 OD1 ASP A 14 -0.538 -1.946 -6.945 1.00 75.23 O ATOM 8 OD2 ASP A 14 -1.330 -2.793 -5.111 1.00 54.03 O1- ATOM 0 HA ASP A 14 -3.606 -3.205 -7.174 1.00 63.52 H new ATOM 0 HB2 ASP A 14 -1.870 -4.849 -6.361 1.00 63.41 H new ATOM 0 HB3 ASP A 14 -0.893 -4.412 -7.749 1.00 63.41 H new ATOM 13 N ASN A 15 -2.760 -1.565 -8.919 1.00 3.14 N ATOM 14 CA ASN A 15 -2.492 -0.639 -10.010 1.00 62.11 C ATOM 15 C ASN A 15 -2.115 0.698 -9.449 1.00 55.32 C ATOM 16 O ASN A 15 -2.920 1.348 -8.796 1.00 5.43 O ATOM 17 CB ASN A 15 -3.714 -0.447 -10.940 1.00 20.42 C ATOM 18 CG ASN A 15 -4.050 -1.641 -11.818 1.00 33.44 C ATOM 19 OD1 ASN A 15 -3.556 -1.765 -12.917 1.00 73.42 O ATOM 20 ND2 ASN A 15 -4.920 -2.510 -11.351 1.00 73.45 N ATOM 0 H ASN A 15 -3.112 -1.117 -8.073 1.00 3.14 H new ATOM 0 HA ASN A 15 -1.680 -1.067 -10.598 1.00 62.11 H new ATOM 0 HB2 ASN A 15 -4.584 -0.210 -10.327 1.00 20.42 H new ATOM 0 HB3 ASN A 15 -3.531 0.416 -11.581 1.00 20.42 H new ATOM 0 HD21 ASN A 15 -5.194 -3.312 -11.918 1.00 73.45 H new ATOM 0 HD22 ASN A 15 -5.321 -2.381 -10.422 1.00 73.45 H new ATOM 27 N ARG A 16 -0.914 1.137 -9.729 1.00 52.13 N ATOM 28 CA ARG A 16 -0.438 2.431 -9.247 1.00 12.23 C ATOM 29 C ARG A 16 -0.896 3.581 -10.125 1.00 60.15 C ATOM 30 O ARG A 16 -0.433 4.708 -9.988 1.00 75.34 O ATOM 31 CB ARG A 16 1.068 2.424 -9.022 1.00 22.12 C ATOM 32 CG ARG A 16 1.453 2.438 -7.542 1.00 62.04 C ATOM 33 CD ARG A 16 0.825 1.281 -6.752 1.00 42.52 C ATOM 34 NE ARG A 16 1.177 1.362 -5.319 1.00 42.41 N ATOM 35 CZ ARG A 16 0.878 0.421 -4.403 1.00 53.12 C ATOM 36 NH1 ARG A 16 0.304 -0.691 -4.770 1.00 42.42 N1+ ATOM 37 NH2 ARG A 16 1.188 0.608 -3.117 1.00 11.15 N ATOM 0 H ARG A 16 -0.236 0.622 -10.291 1.00 52.13 H new ATOM 0 HA ARG A 16 -0.900 2.601 -8.274 1.00 12.23 H new ATOM 0 HB2 ARG A 16 1.496 1.540 -9.494 1.00 22.12 H new ATOM 0 HB3 ARG A 16 1.507 3.292 -9.514 1.00 22.12 H new ATOM 0 HG2 ARG A 16 2.538 2.385 -7.453 1.00 62.04 H new ATOM 0 HG3 ARG A 16 1.142 3.385 -7.100 1.00 62.04 H new ATOM 0 HD2 ARG A 16 -0.259 1.305 -6.865 1.00 42.52 H new ATOM 0 HD3 ARG A 16 1.167 0.330 -7.160 1.00 42.52 H new ATOM 0 HE ARG A 16 1.682 2.189 -5.001 1.00 42.41 H new ATOM 0 HH11 ARG A 16 0.081 -0.850 -5.753 1.00 42.42 H new ATOM 0 HH12 ARG A 16 0.079 -1.402 -4.075 1.00 42.42 H new ATOM 0 HH21 ARG A 16 1.654 1.467 -2.824 1.00 11.15 H new ATOM 0 HH22 ARG A 16 0.959 -0.108 -2.428 1.00 11.15 H new ATOM 51 N HIS A 17 -1.879 3.292 -10.964 1.00 54.31 N ATOM 52 CA HIS A 17 -2.561 4.294 -11.781 1.00 41.54 C ATOM 53 C HIS A 17 -3.326 5.228 -10.841 1.00 14.33 C ATOM 54 O HIS A 17 -3.651 6.360 -11.178 1.00 34.34 O ATOM 55 CB HIS A 17 -3.519 3.632 -12.780 1.00 43.42 C ATOM 56 CG HIS A 17 -2.867 2.660 -13.721 1.00 10.14 C ATOM 57 ND1 HIS A 17 -3.487 1.540 -14.206 1.00 23.41 N ATOM 58 CD2 HIS A 17 -1.624 2.663 -14.265 1.00 45.34 C ATOM 59 CE1 HIS A 17 -2.631 0.899 -15.003 1.00 23.31 C ATOM 60 NE2 HIS A 17 -1.480 1.543 -15.074 1.00 30.01 N ATOM 0 H HIS A 17 -2.232 2.345 -11.101 1.00 54.31 H new ATOM 0 HA HIS A 17 -1.830 4.857 -12.361 1.00 41.54 H new ATOM 0 HB2 HIS A 17 -4.300 3.112 -12.225 1.00 43.42 H new ATOM 0 HB3 HIS A 17 -4.009 4.411 -13.365 1.00 43.42 H new ATOM 0 HD2 HIS A 17 -0.868 3.415 -14.096 1.00 45.34 H new ATOM 0 HE1 HIS A 17 -2.850 -0.023 -15.521 1.00 23.31 H new ATOM 0 HE2 HIS A 17 -0.656 1.274 -15.612 1.00 30.01 H new ATOM 68 N ALA A 18 -3.571 4.709 -9.623 1.00 11.11 N ATOM 69 CA ALA A 18 -4.183 5.414 -8.488 1.00 33.31 C ATOM 70 C ALA A 18 -3.526 6.776 -8.215 1.00 13.34 C ATOM 71 O ALA A 18 -4.046 7.578 -7.455 1.00 53.14 O ATOM 72 CB ALA A 18 -4.111 4.557 -7.257 1.00 0.44 C ATOM 0 H ALA A 18 -3.336 3.743 -9.396 1.00 11.11 H new ATOM 0 HA ALA A 18 -5.223 5.605 -8.751 1.00 33.31 H new ATOM 0 HB1 ALA A 18 -4.566 5.085 -6.419 1.00 0.44 H new ATOM 0 HB2 ALA A 18 -4.646 3.624 -7.432 1.00 0.44 H new ATOM 0 HB3 ALA A 18 -3.068 4.340 -7.026 1.00 0.44 H new ATOM 78 N ALA A 19 -2.338 6.983 -8.765 1.00 64.14 N ATOM 79 CA ALA A 19 -1.662 8.264 -8.719 1.00 50.05 C ATOM 80 C ALA A 19 -2.584 9.382 -9.285 1.00 41.02 C ATOM 81 O ALA A 19 -2.515 10.529 -8.854 1.00 4.34 O ATOM 82 CB ALA A 19 -0.365 8.174 -9.503 1.00 3.20 C ATOM 0 H ALA A 19 -1.816 6.259 -9.258 1.00 64.14 H new ATOM 0 HA ALA A 19 -1.430 8.519 -7.685 1.00 50.05 H new ATOM 0 HB1 ALA A 19 0.147 9.136 -9.471 1.00 3.20 H new ATOM 0 HB2 ALA A 19 0.274 7.408 -9.063 1.00 3.20 H new ATOM 0 HB3 ALA A 19 -0.583 7.913 -10.539 1.00 3.20 H new ATOM 88 N ASP A 20 -3.474 9.006 -10.223 1.00 34.52 N ATOM 89 CA ASP A 20 -4.482 9.931 -10.791 1.00 34.33 C ATOM 90 C ASP A 20 -5.436 10.364 -9.687 1.00 22.00 C ATOM 91 O ASP A 20 -5.733 11.538 -9.537 1.00 71.23 O ATOM 92 CB ASP A 20 -5.277 9.242 -11.921 1.00 51.33 C ATOM 93 CG ASP A 20 -6.308 10.147 -12.617 1.00 73.21 C ATOM 94 OD1 ASP A 20 -5.923 10.994 -13.432 1.00 72.15 O ATOM 95 OD2 ASP A 20 -7.523 9.958 -12.408 1.00 74.51 O1- ATOM 0 H ASP A 20 -3.518 8.062 -10.608 1.00 34.52 H new ATOM 0 HA ASP A 20 -3.972 10.800 -11.207 1.00 34.33 H new ATOM 0 HB2 ASP A 20 -4.575 8.870 -12.668 1.00 51.33 H new ATOM 0 HB3 ASP A 20 -5.793 8.375 -11.509 1.00 51.33 H new ATOM 100 N TYR A 21 -5.811 9.398 -8.833 1.00 40.43 N ATOM 101 CA TYR A 21 -6.737 9.618 -7.706 1.00 1.50 C ATOM 102 C TYR A 21 -6.188 10.647 -6.740 1.00 31.51 C ATOM 103 O TYR A 21 -6.933 11.289 -6.013 1.00 0.52 O ATOM 104 CB TYR A 21 -7.001 8.302 -6.940 1.00 44.33 C ATOM 105 CG TYR A 21 -7.924 8.449 -5.732 1.00 62.33 C ATOM 106 CD1 TYR A 21 -9.287 8.505 -5.899 1.00 10.14 C ATOM 107 CD2 TYR A 21 -7.424 8.535 -4.430 1.00 32.43 C ATOM 108 CE1 TYR A 21 -10.133 8.636 -4.833 1.00 73.34 C ATOM 109 CE2 TYR A 21 -8.272 8.669 -3.357 1.00 14.40 C ATOM 110 CZ TYR A 21 -9.624 8.717 -3.563 1.00 41.10 C ATOM 111 OH TYR A 21 -10.470 8.856 -2.495 1.00 43.11 O ATOM 0 H TYR A 21 -5.479 8.436 -8.904 1.00 40.43 H new ATOM 0 HA TYR A 21 -7.673 9.985 -8.128 1.00 1.50 H new ATOM 0 HB2 TYR A 21 -7.436 7.577 -7.628 1.00 44.33 H new ATOM 0 HB3 TYR A 21 -6.048 7.893 -6.606 1.00 44.33 H new ATOM 0 HD1 TYR A 21 -9.699 8.444 -6.895 1.00 10.14 H new ATOM 0 HD2 TYR A 21 -6.357 8.496 -4.265 1.00 32.43 H new ATOM 0 HE1 TYR A 21 -11.201 8.676 -4.991 1.00 73.34 H new ATOM 0 HE2 TYR A 21 -7.873 8.736 -2.356 1.00 14.40 H new ATOM 0 HH TYR A 21 -10.472 8.029 -1.969 1.00 43.11 H new ATOM 121 N GLN A 22 -4.894 10.827 -6.748 1.00 73.52 N ATOM 122 CA GLN A 22 -4.279 11.752 -5.840 1.00 62.31 C ATOM 123 C GLN A 22 -4.616 13.186 -6.239 1.00 30.15 C ATOM 124 O GLN A 22 -4.605 14.084 -5.411 1.00 24.53 O ATOM 125 CB GLN A 22 -2.781 11.492 -5.708 1.00 52.25 C ATOM 126 CG GLN A 22 -2.475 10.016 -5.422 1.00 64.33 C ATOM 127 CD GLN A 22 -3.251 9.443 -4.231 1.00 52.32 C ATOM 128 OE1 GLN A 22 -3.547 10.134 -3.249 1.00 61.34 O ATOM 129 NE2 GLN A 22 -3.649 8.196 -4.347 1.00 34.22 N ATOM 0 H GLN A 22 -4.248 10.345 -7.373 1.00 73.52 H new ATOM 0 HA GLN A 22 -4.689 11.598 -4.842 1.00 62.31 H new ATOM 0 HB2 GLN A 22 -2.279 11.795 -6.627 1.00 52.25 H new ATOM 0 HB3 GLN A 22 -2.376 12.108 -4.905 1.00 52.25 H new ATOM 0 HG2 GLN A 22 -2.705 9.428 -6.310 1.00 64.33 H new ATOM 0 HG3 GLN A 22 -1.407 9.906 -5.235 1.00 64.33 H new ATOM 0 HE21 GLN A 22 -3.388 7.652 -5.169 1.00 34.22 H new ATOM 0 HE22 GLN A 22 -4.219 7.772 -3.615 1.00 34.22 H new ATOM 138 N GLN A 23 -4.987 13.378 -7.504 1.00 45.04 N ATOM 139 CA GLN A 23 -5.476 14.665 -7.941 1.00 51.54 C ATOM 140 C GLN A 23 -6.895 14.833 -7.424 1.00 42.21 C ATOM 141 O GLN A 23 -7.281 15.904 -6.989 1.00 61.41 O ATOM 142 CB GLN A 23 -5.492 14.805 -9.450 1.00 11.25 C ATOM 143 CG GLN A 23 -4.170 14.617 -10.149 1.00 41.24 C ATOM 144 CD GLN A 23 -4.272 15.005 -11.608 1.00 23.32 C ATOM 145 OE1 GLN A 23 -5.047 15.912 -11.973 1.00 62.30 O ATOM 146 NE2 GLN A 23 -3.547 14.324 -12.451 1.00 43.12 N ATOM 0 H GLN A 23 -4.956 12.662 -8.230 1.00 45.04 H new ATOM 0 HA GLN A 23 -4.804 15.428 -7.549 1.00 51.54 H new ATOM 0 HB2 GLN A 23 -6.199 14.081 -9.854 1.00 11.25 H new ATOM 0 HB3 GLN A 23 -5.873 15.796 -9.698 1.00 11.25 H new ATOM 0 HG2 GLN A 23 -3.406 15.222 -9.660 1.00 41.24 H new ATOM 0 HG3 GLN A 23 -3.855 13.577 -10.066 1.00 41.24 H new ATOM 0 HE21 GLN A 23 -2.925 13.590 -12.112 1.00 43.12 H new ATOM 0 HE22 GLN A 23 -3.602 14.525 -13.449 1.00 43.12 H new ATOM 155 N LEU A 24 -7.676 13.744 -7.460 1.00 14.53 N ATOM 156 CA LEU A 24 -9.029 13.754 -6.898 1.00 24.30 C ATOM 157 C LEU A 24 -8.927 14.086 -5.414 1.00 55.13 C ATOM 158 O LEU A 24 -9.709 14.862 -4.888 1.00 54.01 O ATOM 159 CB LEU A 24 -9.811 12.392 -7.206 1.00 62.52 C ATOM 160 CG LEU A 24 -11.207 12.159 -6.578 1.00 44.23 C ATOM 161 CD1 LEU A 24 -11.871 10.987 -7.258 1.00 20.44 C ATOM 162 CD2 LEU A 24 -11.138 11.873 -5.086 1.00 55.20 C ATOM 0 H LEU A 24 -7.395 12.853 -7.869 1.00 14.53 H new ATOM 0 HA LEU A 24 -9.633 14.525 -7.377 1.00 24.30 H new ATOM 0 HB2 LEU A 24 -9.922 12.316 -8.288 1.00 62.52 H new ATOM 0 HB3 LEU A 24 -9.170 11.568 -6.893 1.00 62.52 H new ATOM 0 HG LEU A 24 -11.778 13.077 -6.719 1.00 44.23 H new ATOM 0 HD11 LEU A 24 -12.854 10.820 -6.818 1.00 20.44 H new ATOM 0 HD12 LEU A 24 -11.980 11.198 -8.322 1.00 20.44 H new ATOM 0 HD13 LEU A 24 -11.259 10.095 -7.126 1.00 20.44 H new ATOM 0 HD21 LEU A 24 -12.145 11.718 -4.698 1.00 55.20 H new ATOM 0 HD22 LEU A 24 -10.541 10.977 -4.914 1.00 55.20 H new ATOM 0 HD23 LEU A 24 -10.679 12.719 -4.574 1.00 55.20 H new ATOM 174 N ARG A 25 -7.900 13.540 -4.788 1.00 44.23 N ATOM 175 CA ARG A 25 -7.616 13.754 -3.388 1.00 72.50 C ATOM 176 C ARG A 25 -7.332 15.237 -3.128 1.00 51.44 C ATOM 177 O ARG A 25 -7.873 15.820 -2.192 1.00 24.31 O ATOM 178 CB ARG A 25 -6.386 12.967 -2.979 1.00 70.02 C ATOM 179 CG ARG A 25 -6.320 12.730 -1.508 1.00 0.41 C ATOM 180 CD ARG A 25 -6.786 11.350 -1.202 1.00 3.05 C ATOM 181 NE ARG A 25 -5.741 10.343 -1.446 1.00 55.04 N ATOM 182 CZ ARG A 25 -5.744 9.136 -0.885 1.00 33.32 C ATOM 183 NH1 ARG A 25 -6.832 8.706 -0.294 1.00 14.23 N1+ ATOM 184 NH2 ARG A 25 -4.682 8.347 -0.966 1.00 25.52 N ATOM 0 H ARG A 25 -7.230 12.925 -5.250 1.00 44.23 H new ATOM 0 HA ARG A 25 -8.483 13.428 -2.814 1.00 72.50 H new ATOM 0 HB2 ARG A 25 -6.383 12.009 -3.498 1.00 70.02 H new ATOM 0 HB3 ARG A 25 -5.493 13.505 -3.297 1.00 70.02 H new ATOM 0 HG2 ARG A 25 -5.298 12.867 -1.153 1.00 0.41 H new ATOM 0 HG3 ARG A 25 -6.939 13.458 -0.984 1.00 0.41 H new ATOM 0 HD2 ARG A 25 -7.102 11.298 -0.160 1.00 3.05 H new ATOM 0 HD3 ARG A 25 -7.659 11.120 -1.812 1.00 3.05 H new ATOM 0 HE ARG A 25 -4.976 10.582 -2.077 1.00 55.04 H new ATOM 0 HH11 ARG A 25 -7.665 9.295 -0.267 1.00 14.23 H new ATOM 0 HH12 ARG A 25 -6.846 7.783 0.139 1.00 14.23 H new ATOM 0 HH21 ARG A 25 -3.849 8.663 -1.463 1.00 25.52 H new ATOM 0 HH22 ARG A 25 -4.698 7.424 -0.531 1.00 25.52 H new ATOM 198 N GLU A 26 -6.467 15.818 -3.974 1.00 22.23 N ATOM 199 CA GLU A 26 -6.072 17.219 -3.907 1.00 21.21 C ATOM 200 C GLU A 26 -7.306 18.111 -3.861 1.00 64.04 C ATOM 201 O GLU A 26 -7.492 18.898 -2.929 1.00 20.21 O ATOM 202 CB GLU A 26 -5.262 17.576 -5.151 1.00 2.21 C ATOM 203 CG GLU A 26 -4.708 18.984 -5.148 1.00 72.02 C ATOM 204 CD GLU A 26 -4.369 19.460 -6.539 1.00 44.42 C ATOM 205 OE1 GLU A 26 -3.395 18.986 -7.132 1.00 33.11 O ATOM 206 OE2 GLU A 26 -5.134 20.280 -7.091 1.00 3.14 O1- ATOM 0 H GLU A 26 -6.018 15.310 -4.736 1.00 22.23 H new ATOM 0 HA GLU A 26 -5.476 17.373 -3.008 1.00 21.21 H new ATOM 0 HB2 GLU A 26 -4.435 16.872 -5.246 1.00 2.21 H new ATOM 0 HB3 GLU A 26 -5.893 17.448 -6.031 1.00 2.21 H new ATOM 0 HG2 GLU A 26 -5.437 19.660 -4.701 1.00 72.02 H new ATOM 0 HG3 GLU A 26 -3.815 19.021 -4.524 1.00 72.02 H new ATOM 213 N ARG A 27 -8.185 17.941 -4.839 1.00 51.25 N ATOM 214 CA ARG A 27 -9.356 18.778 -4.897 1.00 11.34 C ATOM 215 C ARG A 27 -10.390 18.387 -3.859 1.00 22.12 C ATOM 216 O ARG A 27 -11.227 19.185 -3.520 1.00 21.42 O ATOM 217 CB ARG A 27 -9.969 18.929 -6.315 1.00 35.42 C ATOM 218 CG ARG A 27 -9.011 19.554 -7.340 1.00 31.44 C ATOM 219 CD ARG A 27 -8.219 18.490 -8.077 1.00 61.22 C ATOM 220 NE ARG A 27 -6.891 18.939 -8.497 1.00 23.33 N ATOM 221 CZ ARG A 27 -6.160 18.419 -9.487 1.00 60.41 C ATOM 222 NH1 ARG A 27 -6.725 17.649 -10.426 1.00 41.00 N1+ ATOM 223 NH2 ARG A 27 -4.863 18.683 -9.539 1.00 51.23 N ATOM 0 H ARG A 27 -8.107 17.247 -5.582 1.00 51.25 H new ATOM 0 HA ARG A 27 -9.001 19.777 -4.643 1.00 11.34 H new ATOM 0 HB2 ARG A 27 -10.280 17.947 -6.673 1.00 35.42 H new ATOM 0 HB3 ARG A 27 -10.867 19.543 -6.249 1.00 35.42 H new ATOM 0 HG2 ARG A 27 -9.579 20.148 -8.056 1.00 31.44 H new ATOM 0 HG3 ARG A 27 -8.326 20.234 -6.833 1.00 31.44 H new ATOM 0 HD2 ARG A 27 -8.112 17.617 -7.434 1.00 61.22 H new ATOM 0 HD3 ARG A 27 -8.781 18.172 -8.955 1.00 61.22 H new ATOM 0 HE ARG A 27 -6.485 19.723 -7.986 1.00 23.33 H new ATOM 0 HH11 ARG A 27 -7.725 17.453 -10.391 1.00 41.00 H new ATOM 0 HH12 ARG A 27 -6.155 17.259 -11.176 1.00 41.00 H new ATOM 0 HH21 ARG A 27 -4.434 19.277 -8.829 1.00 51.23 H new ATOM 0 HH22 ARG A 27 -4.293 18.293 -10.289 1.00 51.23 H new ATOM 237 N LEU A 28 -10.300 17.170 -3.319 1.00 42.20 N ATOM 238 CA LEU A 28 -11.208 16.746 -2.259 1.00 43.50 C ATOM 239 C LEU A 28 -10.916 17.514 -0.962 1.00 62.03 C ATOM 240 O LEU A 28 -11.803 17.704 -0.131 1.00 63.30 O ATOM 241 CB LEU A 28 -11.181 15.215 -2.039 1.00 2.42 C ATOM 242 CG LEU A 28 -12.570 14.539 -2.062 1.00 22.41 C ATOM 243 CD1 LEU A 28 -12.452 13.040 -1.959 1.00 44.32 C ATOM 244 CD2 LEU A 28 -13.463 15.058 -0.946 1.00 61.43 C ATOM 0 H LEU A 28 -9.613 16.469 -3.597 1.00 42.20 H new ATOM 0 HA LEU A 28 -12.222 16.989 -2.577 1.00 43.50 H new ATOM 0 HB2 LEU A 28 -10.557 14.761 -2.809 1.00 2.42 H new ATOM 0 HB3 LEU A 28 -10.706 15.007 -1.080 1.00 2.42 H new ATOM 0 HG LEU A 28 -13.027 14.792 -3.019 1.00 22.41 H new ATOM 0 HD11 LEU A 28 -13.447 12.595 -1.978 1.00 44.32 H new ATOM 0 HD12 LEU A 28 -11.869 12.662 -2.799 1.00 44.32 H new ATOM 0 HD13 LEU A 28 -11.955 12.777 -1.025 1.00 44.32 H new ATOM 0 HD21 LEU A 28 -14.431 14.560 -0.994 1.00 61.43 H new ATOM 0 HD22 LEU A 28 -12.997 14.854 0.018 1.00 61.43 H new ATOM 0 HD23 LEU A 28 -13.602 16.133 -1.061 1.00 61.43 H new ATOM 256 N ILE A 29 -9.672 17.976 -0.812 1.00 52.41 N ATOM 257 CA ILE A 29 -9.300 18.832 0.321 1.00 40.44 C ATOM 258 C ILE A 29 -10.115 20.135 0.219 1.00 4.50 C ATOM 259 O ILE A 29 -10.705 20.602 1.183 1.00 23.33 O ATOM 260 CB ILE A 29 -7.774 19.203 0.293 1.00 70.20 C ATOM 261 CG1 ILE A 29 -6.875 17.956 0.341 1.00 1.25 C ATOM 262 CG2 ILE A 29 -7.419 20.137 1.454 1.00 50.31 C ATOM 263 CD1 ILE A 29 -6.841 17.284 1.681 1.00 53.43 C ATOM 0 H ILE A 29 -8.908 17.774 -1.456 1.00 52.41 H new ATOM 0 HA ILE A 29 -9.504 18.293 1.246 1.00 40.44 H new ATOM 0 HB ILE A 29 -7.592 19.715 -0.652 1.00 70.20 H new ATOM 0 HG12 ILE A 29 -7.222 17.241 -0.405 1.00 1.25 H new ATOM 0 HG13 ILE A 29 -5.860 18.240 0.062 1.00 1.25 H new ATOM 0 HG21 ILE A 29 -6.357 20.380 1.414 1.00 50.31 H new ATOM 0 HG22 ILE A 29 -8.004 21.053 1.376 1.00 50.31 H new ATOM 0 HG23 ILE A 29 -7.643 19.643 2.400 1.00 50.31 H new ATOM 0 HD11 ILE A 29 -6.186 16.414 1.635 1.00 53.43 H new ATOM 0 HD12 ILE A 29 -6.465 17.982 2.429 1.00 53.43 H new ATOM 0 HD13 ILE A 29 -7.847 16.967 1.955 1.00 53.43 H new ATOM 275 N GLN A 30 -10.179 20.662 -0.986 1.00 51.42 N ATOM 276 CA GLN A 30 -10.859 21.919 -1.271 1.00 21.25 C ATOM 277 C GLN A 30 -12.385 21.731 -1.321 1.00 33.11 C ATOM 278 O GLN A 30 -13.134 22.600 -0.891 1.00 23.43 O ATOM 279 CB GLN A 30 -10.350 22.457 -2.611 1.00 52.42 C ATOM 280 CG GLN A 30 -10.982 23.762 -3.064 1.00 52.11 C ATOM 281 CD GLN A 30 -10.486 24.196 -4.427 1.00 25.33 C ATOM 282 OE1 GLN A 30 -10.135 23.376 -5.265 1.00 54.22 O ATOM 283 NE2 GLN A 30 -10.456 25.482 -4.660 1.00 23.22 N ATOM 0 H GLN A 30 -9.757 20.229 -1.808 1.00 51.42 H new ATOM 0 HA GLN A 30 -10.643 22.629 -0.473 1.00 21.25 H new ATOM 0 HB2 GLN A 30 -9.271 22.599 -2.542 1.00 52.42 H new ATOM 0 HB3 GLN A 30 -10.524 21.702 -3.378 1.00 52.42 H new ATOM 0 HG2 GLN A 30 -12.066 23.648 -3.093 1.00 52.11 H new ATOM 0 HG3 GLN A 30 -10.763 24.542 -2.335 1.00 52.11 H new ATOM 0 HE21 GLN A 30 -10.756 26.138 -3.939 1.00 23.22 H new ATOM 0 HE22 GLN A 30 -10.133 25.829 -5.563 1.00 23.22 H new ATOM 292 N GLU A 31 -12.792 20.569 -1.806 1.00 42.41 N ATOM 293 CA GLU A 31 -14.187 20.174 -2.056 1.00 71.22 C ATOM 294 C GLU A 31 -15.141 20.544 -0.907 1.00 0.44 C ATOM 295 O GLU A 31 -16.168 21.208 -1.119 1.00 0.22 O ATOM 296 CB GLU A 31 -14.198 18.659 -2.280 1.00 55.53 C ATOM 297 CG GLU A 31 -15.536 18.050 -2.589 1.00 71.01 C ATOM 298 CD GLU A 31 -16.096 18.520 -3.893 1.00 71.12 C ATOM 299 OE1 GLU A 31 -16.057 17.762 -4.880 1.00 45.04 O ATOM 300 OE2 GLU A 31 -16.665 19.632 -3.942 1.00 52.22 O1- ATOM 0 H GLU A 31 -12.132 19.831 -2.052 1.00 42.41 H new ATOM 0 HA GLU A 31 -14.550 20.718 -2.928 1.00 71.22 H new ATOM 0 HB2 GLU A 31 -13.517 18.428 -3.099 1.00 55.53 H new ATOM 0 HB3 GLU A 31 -13.798 18.177 -1.388 1.00 55.53 H new ATOM 0 HG2 GLU A 31 -15.441 16.964 -2.609 1.00 71.01 H new ATOM 0 HG3 GLU A 31 -16.235 18.294 -1.789 1.00 71.01 H new ATOM 307 N LEU A 32 -14.822 20.123 0.292 1.00 62.20 N ATOM 308 CA LEU A 32 -15.654 20.474 1.430 1.00 43.14 C ATOM 309 C LEU A 32 -14.900 21.380 2.381 1.00 2.22 C ATOM 310 O LEU A 32 -15.353 21.623 3.494 1.00 64.41 O ATOM 311 CB LEU A 32 -16.086 19.215 2.166 1.00 63.20 C ATOM 312 CG LEU A 32 -16.900 18.203 1.381 1.00 43.23 C ATOM 313 CD1 LEU A 32 -17.063 16.949 2.200 1.00 20.13 C ATOM 314 CD2 LEU A 32 -18.260 18.773 1.020 1.00 22.35 C ATOM 0 H LEU A 32 -14.009 19.547 0.510 1.00 62.20 H new ATOM 0 HA LEU A 32 -16.534 21.001 1.062 1.00 43.14 H new ATOM 0 HB2 LEU A 32 -15.191 18.715 2.537 1.00 63.20 H new ATOM 0 HB3 LEU A 32 -16.668 19.515 3.038 1.00 63.20 H new ATOM 0 HG LEU A 32 -16.374 17.967 0.456 1.00 43.23 H new ATOM 0 HD11 LEU A 32 -17.648 16.221 1.638 1.00 20.13 H new ATOM 0 HD12 LEU A 32 -16.082 16.531 2.425 1.00 20.13 H new ATOM 0 HD13 LEU A 32 -17.578 17.187 3.131 1.00 20.13 H new ATOM 0 HD21 LEU A 32 -18.828 18.032 0.458 1.00 22.35 H new ATOM 0 HD22 LEU A 32 -18.801 19.029 1.931 1.00 22.35 H new ATOM 0 HD23 LEU A 32 -18.130 19.668 0.412 1.00 22.35 H new ATOM 326 N ASN A 33 -13.773 21.915 1.901 1.00 50.00 N ATOM 327 CA ASN A 33 -12.839 22.710 2.721 1.00 15.14 C ATOM 328 C ASN A 33 -12.440 21.885 3.947 1.00 2.23 C ATOM 329 O ASN A 33 -12.804 22.175 5.099 1.00 74.13 O ATOM 330 CB ASN A 33 -13.427 24.091 3.113 1.00 72.41 C ATOM 331 CG ASN A 33 -12.426 25.015 3.811 1.00 52.21 C ATOM 332 OD1 ASN A 33 -11.720 25.782 3.167 1.00 22.14 O ATOM 333 ND2 ASN A 33 -12.360 24.951 5.118 1.00 14.42 N ATOM 0 H ASN A 33 -13.477 21.811 0.930 1.00 50.00 H new ATOM 0 HA ASN A 33 -11.949 22.932 2.132 1.00 15.14 H new ATOM 0 HB2 ASN A 33 -13.798 24.585 2.215 1.00 72.41 H new ATOM 0 HB3 ASN A 33 -14.284 23.937 3.769 1.00 72.41 H new ATOM 0 HD21 ASN A 33 -11.708 25.549 5.626 1.00 14.42 H new ATOM 0 HD22 ASN A 33 -12.960 24.303 5.628 1.00 14.42 H new ATOM 340 N LEU A 34 -11.747 20.820 3.675 1.00 0.25 N ATOM 341 CA LEU A 34 -11.394 19.862 4.668 1.00 65.40 C ATOM 342 C LEU A 34 -9.975 20.068 5.109 1.00 24.33 C ATOM 343 O LEU A 34 -9.081 20.253 4.296 1.00 54.03 O ATOM 344 CB LEU A 34 -11.594 18.433 4.115 1.00 54.32 C ATOM 345 CG LEU A 34 -13.019 18.109 3.649 1.00 2.24 C ATOM 346 CD1 LEU A 34 -13.095 16.735 2.983 1.00 1.22 C ATOM 347 CD2 LEU A 34 -13.996 18.190 4.815 1.00 14.22 C ATOM 0 H LEU A 34 -11.408 20.593 2.740 1.00 0.25 H new ATOM 0 HA LEU A 34 -12.042 19.993 5.535 1.00 65.40 H new ATOM 0 HB2 LEU A 34 -10.912 18.286 3.277 1.00 54.32 H new ATOM 0 HB3 LEU A 34 -11.310 17.718 4.887 1.00 54.32 H new ATOM 0 HG LEU A 34 -13.299 18.854 2.904 1.00 2.24 H new ATOM 0 HD11 LEU A 34 -14.120 16.540 2.666 1.00 1.22 H new ATOM 0 HD12 LEU A 34 -12.437 16.715 2.115 1.00 1.22 H new ATOM 0 HD13 LEU A 34 -12.783 15.969 3.693 1.00 1.22 H new ATOM 0 HD21 LEU A 34 -15.001 17.957 4.464 1.00 14.22 H new ATOM 0 HD22 LEU A 34 -13.705 17.474 5.584 1.00 14.22 H new ATOM 0 HD23 LEU A 34 -13.982 19.197 5.232 1.00 14.22 H new ATOM 359 N THR A 35 -9.783 20.074 6.391 1.00 33.21 N ATOM 360 CA THR A 35 -8.484 20.171 6.968 1.00 43.23 C ATOM 361 C THR A 35 -7.801 18.810 6.715 1.00 42.45 C ATOM 362 O THR A 35 -8.496 17.809 6.681 1.00 43.43 O ATOM 363 CB THR A 35 -8.679 20.415 8.479 1.00 44.31 C ATOM 364 OG1 THR A 35 -9.681 21.433 8.638 1.00 13.41 O ATOM 365 CG2 THR A 35 -7.400 20.887 9.152 1.00 33.34 C ATOM 0 H THR A 35 -10.538 20.011 7.074 1.00 33.21 H new ATOM 0 HA THR A 35 -7.879 20.976 6.551 1.00 43.23 H new ATOM 0 HB THR A 35 -8.974 19.475 8.944 1.00 44.31 H new ATOM 0 HG1 THR A 35 -9.824 21.605 9.592 1.00 13.41 H new ATOM 0 HG21 THR A 35 -7.585 21.046 10.214 1.00 33.34 H new ATOM 0 HG22 THR A 35 -6.624 20.132 9.028 1.00 33.34 H new ATOM 0 HG23 THR A 35 -7.073 21.822 8.697 1.00 33.34 H new ATOM 373 N PRO A 36 -6.467 18.747 6.484 1.00 22.53 N ATOM 374 CA PRO A 36 -5.754 17.465 6.234 1.00 2.42 C ATOM 375 C PRO A 36 -6.067 16.373 7.283 1.00 24.31 C ATOM 376 O PRO A 36 -6.057 15.202 6.985 1.00 73.54 O ATOM 377 CB PRO A 36 -4.284 17.870 6.309 1.00 32.23 C ATOM 378 CG PRO A 36 -4.270 19.290 5.865 1.00 2.20 C ATOM 379 CD PRO A 36 -5.548 19.902 6.376 1.00 12.41 C ATOM 0 HA PRO A 36 -6.052 17.019 5.285 1.00 2.42 H new ATOM 0 HB2 PRO A 36 -3.894 17.766 7.322 1.00 32.23 H new ATOM 0 HB3 PRO A 36 -3.666 17.246 5.664 1.00 32.23 H new ATOM 0 HG2 PRO A 36 -3.401 19.814 6.263 1.00 2.20 H new ATOM 0 HG3 PRO A 36 -4.213 19.358 4.779 1.00 2.20 H new ATOM 0 HD2 PRO A 36 -5.402 20.390 7.340 1.00 12.41 H new ATOM 0 HD3 PRO A 36 -5.933 20.658 5.691 1.00 12.41 H new ATOM 387 N GLN A 37 -6.367 16.793 8.500 1.00 52.41 N ATOM 388 CA GLN A 37 -6.724 15.879 9.588 1.00 41.33 C ATOM 389 C GLN A 37 -8.157 15.333 9.425 1.00 10.31 C ATOM 390 O GLN A 37 -8.544 14.396 10.096 1.00 71.11 O ATOM 391 CB GLN A 37 -6.572 16.564 10.967 1.00 15.33 C ATOM 392 CG GLN A 37 -5.129 16.885 11.409 1.00 31.35 C ATOM 393 CD GLN A 37 -4.396 17.894 10.528 1.00 35.43 C ATOM 394 OE1 GLN A 37 -5.000 18.775 9.919 1.00 53.20 O ATOM 395 NE2 GLN A 37 -3.094 17.771 10.456 1.00 53.33 N ATOM 0 H GLN A 37 -6.372 17.777 8.769 1.00 52.41 H new ATOM 0 HA GLN A 37 -6.031 15.039 9.537 1.00 41.33 H new ATOM 0 HB2 GLN A 37 -7.142 17.493 10.953 1.00 15.33 H new ATOM 0 HB3 GLN A 37 -7.027 15.922 11.721 1.00 15.33 H new ATOM 0 HG2 GLN A 37 -5.154 17.266 12.430 1.00 31.35 H new ATOM 0 HG3 GLN A 37 -4.556 15.958 11.429 1.00 31.35 H new ATOM 0 HE21 GLN A 37 -2.622 17.029 10.974 1.00 53.33 H new ATOM 0 HE22 GLN A 37 -2.552 18.417 9.882 1.00 53.33 H new ATOM 404 N GLN A 38 -8.931 15.954 8.554 1.00 72.21 N ATOM 405 CA GLN A 38 -10.278 15.538 8.266 1.00 10.32 C ATOM 406 C GLN A 38 -10.304 14.836 6.896 1.00 52.23 C ATOM 407 O GLN A 38 -11.297 14.198 6.519 1.00 1.22 O ATOM 408 CB GLN A 38 -11.199 16.781 8.270 1.00 40.20 C ATOM 409 CG GLN A 38 -12.644 16.529 7.870 1.00 10.11 C ATOM 410 CD GLN A 38 -13.396 15.580 8.796 1.00 15.04 C ATOM 411 OE1 GLN A 38 -14.023 16.000 9.758 1.00 70.41 O ATOM 412 NE2 GLN A 38 -13.347 14.307 8.503 1.00 22.40 N ATOM 0 H GLN A 38 -8.631 16.772 8.023 1.00 72.21 H new ATOM 0 HA GLN A 38 -10.634 14.838 9.022 1.00 10.32 H new ATOM 0 HB2 GLN A 38 -11.188 17.216 9.269 1.00 40.20 H new ATOM 0 HB3 GLN A 38 -10.778 17.525 7.594 1.00 40.20 H new ATOM 0 HG2 GLN A 38 -13.172 17.482 7.840 1.00 10.11 H new ATOM 0 HG3 GLN A 38 -12.663 16.122 6.859 1.00 10.11 H new ATOM 0 HE21 GLN A 38 -12.814 13.990 7.693 1.00 22.40 H new ATOM 0 HE22 GLN A 38 -13.841 13.630 9.085 1.00 22.40 H new ATOM 421 N LEU A 39 -9.212 14.943 6.164 1.00 14.33 N ATOM 422 CA LEU A 39 -9.137 14.342 4.866 1.00 3.35 C ATOM 423 C LEU A 39 -7.833 13.570 4.737 1.00 54.14 C ATOM 424 O LEU A 39 -6.865 14.015 4.119 1.00 51.33 O ATOM 425 CB LEU A 39 -9.354 15.398 3.729 1.00 74.41 C ATOM 426 CG LEU A 39 -9.740 14.884 2.309 1.00 23.44 C ATOM 427 CD1 LEU A 39 -8.574 14.285 1.554 1.00 3.44 C ATOM 428 CD2 LEU A 39 -10.861 13.876 2.405 1.00 54.15 C ATOM 0 H LEU A 39 -8.371 15.442 6.454 1.00 14.33 H new ATOM 0 HA LEU A 39 -9.951 13.626 4.749 1.00 3.35 H new ATOM 0 HB2 LEU A 39 -10.134 16.085 4.057 1.00 74.41 H new ATOM 0 HB3 LEU A 39 -8.436 15.979 3.635 1.00 74.41 H new ATOM 0 HG LEU A 39 -10.069 15.756 1.744 1.00 23.44 H new ATOM 0 HD11 LEU A 39 -8.910 13.947 0.574 1.00 3.44 H new ATOM 0 HD12 LEU A 39 -7.795 15.038 1.431 1.00 3.44 H new ATOM 0 HD13 LEU A 39 -8.175 13.438 2.113 1.00 3.44 H new ATOM 0 HD21 LEU A 39 -11.121 13.525 1.406 1.00 54.15 H new ATOM 0 HD22 LEU A 39 -10.540 13.031 3.014 1.00 54.15 H new ATOM 0 HD23 LEU A 39 -11.732 14.343 2.864 1.00 54.15 H new ATOM 440 N HIS A 40 -7.793 12.480 5.431 1.00 35.34 N ATOM 441 CA HIS A 40 -6.722 11.537 5.366 1.00 64.22 C ATOM 442 C HIS A 40 -7.327 10.218 4.865 1.00 44.32 C ATOM 443 O HIS A 40 -8.549 10.088 4.830 1.00 24.22 O ATOM 444 CB HIS A 40 -5.995 11.405 6.739 1.00 22.22 C ATOM 445 CG HIS A 40 -4.894 10.374 6.756 1.00 52.24 C ATOM 446 ND1 HIS A 40 -4.991 9.202 7.435 1.00 0.42 N ATOM 447 CD2 HIS A 40 -3.715 10.318 6.088 1.00 35.42 C ATOM 448 CE1 HIS A 40 -3.941 8.459 7.177 1.00 74.35 C ATOM 449 NE2 HIS A 40 -3.109 9.087 6.355 1.00 63.34 N ATOM 0 H HIS A 40 -8.531 12.211 6.082 1.00 35.34 H new ATOM 0 HA HIS A 40 -5.943 11.863 4.677 1.00 64.22 H new ATOM 0 HB2 HIS A 40 -5.575 12.374 7.010 1.00 22.22 H new ATOM 0 HB3 HIS A 40 -6.729 11.150 7.504 1.00 22.22 H new ATOM 0 HD2 HIS A 40 -3.312 11.095 5.455 1.00 35.42 H new ATOM 0 HE1 HIS A 40 -3.776 7.470 7.579 1.00 74.35 H new ATOM 0 HE2 HIS A 40 -2.218 8.745 5.995 1.00 63.34 H new ATOM 457 N GLU A 41 -6.485 9.287 4.443 1.00 52.33 N ATOM 458 CA GLU A 41 -6.876 8.019 3.809 1.00 61.41 C ATOM 459 C GLU A 41 -8.070 7.309 4.528 1.00 41.03 C ATOM 460 O GLU A 41 -9.010 6.846 3.870 1.00 61.14 O ATOM 461 CB GLU A 41 -5.635 7.093 3.769 1.00 32.33 C ATOM 462 CG GLU A 41 -5.757 5.853 2.882 1.00 33.13 C ATOM 463 CD GLU A 41 -5.893 6.198 1.412 1.00 41.21 C ATOM 464 OE1 GLU A 41 -7.004 6.454 0.959 1.00 33.30 O ATOM 465 OE2 GLU A 41 -4.885 6.244 0.686 1.00 65.01 O1- ATOM 0 H GLU A 41 -5.474 9.389 4.532 1.00 52.33 H new ATOM 0 HA GLU A 41 -7.230 8.240 2.802 1.00 61.41 H new ATOM 0 HB2 GLU A 41 -4.780 7.677 3.428 1.00 32.33 H new ATOM 0 HB3 GLU A 41 -5.414 6.769 4.786 1.00 32.33 H new ATOM 0 HG2 GLU A 41 -4.880 5.222 3.024 1.00 33.13 H new ATOM 0 HG3 GLU A 41 -6.623 5.270 3.196 1.00 33.13 H new ATOM 472 N GLU A 42 -8.080 7.321 5.856 1.00 24.10 N ATOM 473 CA GLU A 42 -9.070 6.554 6.616 1.00 74.45 C ATOM 474 C GLU A 42 -10.284 7.429 7.020 1.00 60.30 C ATOM 475 O GLU A 42 -11.245 6.938 7.620 1.00 21.31 O ATOM 476 CB GLU A 42 -8.409 5.945 7.887 1.00 0.31 C ATOM 477 CG GLU A 42 -8.321 6.876 9.108 1.00 33.34 C ATOM 478 CD GLU A 42 -7.427 8.055 8.894 1.00 42.24 C ATOM 479 OE1 GLU A 42 -7.818 9.000 8.174 1.00 14.10 O ATOM 480 OE2 GLU A 42 -6.314 8.039 9.396 1.00 43.14 O1- ATOM 0 H GLU A 42 -7.421 7.848 6.429 1.00 24.10 H new ATOM 0 HA GLU A 42 -9.435 5.752 5.974 1.00 74.45 H new ATOM 0 HB2 GLU A 42 -8.968 5.054 8.173 1.00 0.31 H new ATOM 0 HB3 GLU A 42 -7.401 5.619 7.629 1.00 0.31 H new ATOM 0 HG2 GLU A 42 -9.321 7.229 9.359 1.00 33.34 H new ATOM 0 HG3 GLU A 42 -7.960 6.306 9.964 1.00 33.34 H new ATOM 487 N SER A 43 -10.228 8.698 6.686 1.00 61.22 N ATOM 488 CA SER A 43 -11.235 9.647 7.092 1.00 60.13 C ATOM 489 C SER A 43 -12.576 9.405 6.380 1.00 3.12 C ATOM 490 O SER A 43 -12.624 9.123 5.165 1.00 45.22 O ATOM 491 CB SER A 43 -10.726 11.052 6.842 1.00 43.23 C ATOM 492 OG SER A 43 -9.445 11.245 7.449 1.00 32.24 O ATOM 0 H SER A 43 -9.479 9.101 6.123 1.00 61.22 H new ATOM 0 HA SER A 43 -11.425 9.516 8.157 1.00 60.13 H new ATOM 0 HB2 SER A 43 -10.656 11.232 5.769 1.00 43.23 H new ATOM 0 HB3 SER A 43 -11.435 11.777 7.241 1.00 43.23 H new ATOM 0 HG SER A 43 -9.097 10.383 7.759 1.00 32.24 H new ATOM 498 N ASN A 44 -13.655 9.517 7.143 1.00 4.11 N ATOM 499 CA ASN A 44 -14.998 9.262 6.646 1.00 60.24 C ATOM 500 C ASN A 44 -15.527 10.465 5.865 1.00 72.11 C ATOM 501 O ASN A 44 -15.673 11.561 6.398 1.00 12.41 O ATOM 502 CB ASN A 44 -15.941 8.870 7.815 1.00 50.31 C ATOM 503 CG ASN A 44 -17.370 8.468 7.395 1.00 24.11 C ATOM 504 OD1 ASN A 44 -17.933 8.961 6.416 1.00 5.33 O ATOM 505 ND2 ASN A 44 -17.962 7.572 8.143 1.00 45.45 N ATOM 0 H ASN A 44 -13.622 9.788 8.126 1.00 4.11 H new ATOM 0 HA ASN A 44 -14.962 8.421 5.954 1.00 60.24 H new ATOM 0 HB2 ASN A 44 -15.492 8.040 8.361 1.00 50.31 H new ATOM 0 HB3 ASN A 44 -16.005 9.710 8.507 1.00 50.31 H new ATOM 0 HD21 ASN A 44 -18.910 7.268 7.921 1.00 45.45 H new ATOM 0 HD22 ASN A 44 -17.476 7.178 8.948 1.00 45.45 H new ATOM 512 N LEU A 45 -15.837 10.230 4.611 1.00 72.42 N ATOM 513 CA LEU A 45 -16.279 11.274 3.695 1.00 51.32 C ATOM 514 C LEU A 45 -17.744 11.674 3.856 1.00 30.21 C ATOM 515 O LEU A 45 -18.100 12.826 3.618 1.00 14.44 O ATOM 516 CB LEU A 45 -15.952 10.897 2.261 1.00 55.23 C ATOM 517 CG LEU A 45 -14.475 11.018 1.880 1.00 64.03 C ATOM 518 CD1 LEU A 45 -14.227 10.394 0.536 1.00 72.52 C ATOM 519 CD2 LEU A 45 -14.062 12.489 1.860 1.00 74.12 C ATOM 0 H LEU A 45 -15.791 9.303 4.187 1.00 72.42 H new ATOM 0 HA LEU A 45 -15.718 12.169 3.963 1.00 51.32 H new ATOM 0 HB2 LEU A 45 -16.273 9.869 2.089 1.00 55.23 H new ATOM 0 HB3 LEU A 45 -16.537 11.529 1.593 1.00 55.23 H new ATOM 0 HG LEU A 45 -13.877 10.490 2.623 1.00 64.03 H new ATOM 0 HD11 LEU A 45 -13.172 10.489 0.280 1.00 72.52 H new ATOM 0 HD12 LEU A 45 -14.499 9.339 0.569 1.00 72.52 H new ATOM 0 HD13 LEU A 45 -14.830 10.901 -0.217 1.00 72.52 H new ATOM 0 HD21 LEU A 45 -13.009 12.568 1.588 1.00 74.12 H new ATOM 0 HD22 LEU A 45 -14.667 13.027 1.130 1.00 74.12 H new ATOM 0 HD23 LEU A 45 -14.215 12.923 2.848 1.00 74.12 H new ATOM 531 N ILE A 46 -18.588 10.758 4.287 1.00 35.11 N ATOM 532 CA ILE A 46 -19.997 11.098 4.510 1.00 70.30 C ATOM 533 C ILE A 46 -20.089 11.934 5.790 1.00 33.43 C ATOM 534 O ILE A 46 -20.908 12.828 5.917 1.00 34.23 O ATOM 535 CB ILE A 46 -20.906 9.824 4.594 1.00 43.25 C ATOM 536 CG1 ILE A 46 -20.897 9.044 3.258 1.00 4.34 C ATOM 537 CG2 ILE A 46 -22.340 10.165 5.007 1.00 33.45 C ATOM 538 CD1 ILE A 46 -21.429 9.805 2.061 1.00 2.41 C ATOM 0 H ILE A 46 -18.340 9.790 4.489 1.00 35.11 H new ATOM 0 HA ILE A 46 -20.366 11.673 3.661 1.00 70.30 H new ATOM 0 HB ILE A 46 -20.485 9.186 5.371 1.00 43.25 H new ATOM 0 HG12 ILE A 46 -19.874 8.733 3.045 1.00 4.34 H new ATOM 0 HG13 ILE A 46 -21.487 8.136 3.382 1.00 4.34 H new ATOM 0 HG21 ILE A 46 -22.933 9.251 5.052 1.00 33.45 H new ATOM 0 HG22 ILE A 46 -22.333 10.641 5.987 1.00 33.45 H new ATOM 0 HG23 ILE A 46 -22.777 10.845 4.276 1.00 33.45 H new ATOM 0 HD11 ILE A 46 -21.380 9.171 1.176 1.00 2.41 H new ATOM 0 HD12 ILE A 46 -22.464 10.093 2.244 1.00 2.41 H new ATOM 0 HD13 ILE A 46 -20.826 10.699 1.901 1.00 2.41 H new ATOM 550 N GLN A 47 -19.159 11.662 6.688 1.00 54.11 N ATOM 551 CA GLN A 47 -18.998 12.387 7.944 1.00 42.43 C ATOM 552 C GLN A 47 -18.539 13.811 7.658 1.00 51.35 C ATOM 553 O GLN A 47 -18.873 14.742 8.388 1.00 11.22 O ATOM 554 CB GLN A 47 -17.994 11.604 8.824 1.00 75.40 C ATOM 555 CG GLN A 47 -17.539 12.222 10.155 1.00 73.04 C ATOM 556 CD GLN A 47 -16.295 13.118 10.041 1.00 55.03 C ATOM 557 OE1 GLN A 47 -15.169 12.636 10.137 1.00 74.10 O ATOM 558 NE2 GLN A 47 -16.479 14.397 9.864 1.00 63.00 N ATOM 0 H GLN A 47 -18.477 10.914 6.565 1.00 54.11 H new ATOM 0 HA GLN A 47 -19.942 12.463 8.484 1.00 42.43 H new ATOM 0 HB2 GLN A 47 -18.436 10.633 9.045 1.00 75.40 H new ATOM 0 HB3 GLN A 47 -17.103 11.419 8.224 1.00 75.40 H new ATOM 0 HG2 GLN A 47 -18.359 12.809 10.569 1.00 73.04 H new ATOM 0 HG3 GLN A 47 -17.332 11.420 10.863 1.00 73.04 H new ATOM 0 HE21 GLN A 47 -17.425 14.770 9.788 1.00 63.00 H new ATOM 0 HE22 GLN A 47 -15.677 15.024 9.802 1.00 63.00 H new ATOM 567 N ALA A 48 -17.784 13.960 6.587 1.00 25.45 N ATOM 568 CA ALA A 48 -17.286 15.251 6.165 1.00 2.32 C ATOM 569 C ALA A 48 -18.382 16.041 5.442 1.00 4.11 C ATOM 570 O ALA A 48 -18.301 17.255 5.311 1.00 42.12 O ATOM 571 CB ALA A 48 -16.066 15.068 5.276 1.00 53.24 C ATOM 0 H ALA A 48 -17.499 13.187 5.985 1.00 25.45 H new ATOM 0 HA ALA A 48 -16.990 15.823 7.045 1.00 2.32 H new ATOM 0 HB1 ALA A 48 -15.695 16.044 4.961 1.00 53.24 H new ATOM 0 HB2 ALA A 48 -15.287 14.545 5.831 1.00 53.24 H new ATOM 0 HB3 ALA A 48 -16.340 14.484 4.398 1.00 53.24 H new ATOM 577 N GLY A 49 -19.397 15.333 4.974 1.00 44.53 N ATOM 578 CA GLY A 49 -20.519 15.979 4.328 1.00 54.21 C ATOM 579 C GLY A 49 -20.454 15.948 2.812 1.00 4.02 C ATOM 580 O GLY A 49 -20.926 16.869 2.144 1.00 63.35 O ATOM 0 H GLY A 49 -19.464 14.317 5.030 1.00 44.53 H new ATOM 0 HA2 GLY A 49 -21.441 15.496 4.653 1.00 54.21 H new ATOM 0 HA3 GLY A 49 -20.569 17.016 4.659 1.00 54.21 H new ATOM 584 N LEU A 50 -19.858 14.908 2.266 1.00 70.24 N ATOM 585 CA LEU A 50 -19.783 14.728 0.849 1.00 73.45 C ATOM 586 C LEU A 50 -21.142 14.266 0.370 1.00 4.41 C ATOM 587 O LEU A 50 -21.598 13.178 0.737 1.00 50.24 O ATOM 588 CB LEU A 50 -18.742 13.671 0.563 1.00 64.50 C ATOM 589 CG LEU A 50 -17.994 13.841 -0.732 1.00 72.14 C ATOM 590 CD1 LEU A 50 -17.123 15.091 -0.711 1.00 1.23 C ATOM 591 CD2 LEU A 50 -17.160 12.659 -0.999 1.00 4.10 C ATOM 0 H LEU A 50 -19.413 14.165 2.805 1.00 70.24 H new ATOM 0 HA LEU A 50 -19.508 15.652 0.340 1.00 73.45 H new ATOM 0 HB2 LEU A 50 -18.022 13.662 1.381 1.00 64.50 H new ATOM 0 HB3 LEU A 50 -19.230 12.696 0.557 1.00 64.50 H new ATOM 0 HG LEU A 50 -18.731 13.951 -1.528 1.00 72.14 H new ATOM 0 HD11 LEU A 50 -16.597 15.184 -1.661 1.00 1.23 H new ATOM 0 HD12 LEU A 50 -17.750 15.969 -0.556 1.00 1.23 H new ATOM 0 HD13 LEU A 50 -16.398 15.016 0.099 1.00 1.23 H new ATOM 0 HD21 LEU A 50 -16.625 12.796 -1.939 1.00 4.10 H new ATOM 0 HD22 LEU A 50 -16.443 12.529 -0.189 1.00 4.10 H new ATOM 0 HD23 LEU A 50 -17.794 11.775 -1.068 1.00 4.10 H new ATOM 603 N ASP A 51 -21.802 15.088 -0.424 1.00 34.41 N ATOM 604 CA ASP A 51 -23.156 14.766 -0.861 1.00 24.30 C ATOM 605 C ASP A 51 -23.106 13.773 -2.000 1.00 45.15 C ATOM 606 O ASP A 51 -22.031 13.467 -2.520 1.00 25.24 O ATOM 607 CB ASP A 51 -23.937 16.019 -1.275 1.00 74.31 C ATOM 608 CG ASP A 51 -23.311 16.721 -2.441 1.00 41.31 C ATOM 609 OD1 ASP A 51 -23.579 16.328 -3.583 1.00 62.34 O ATOM 610 OD2 ASP A 51 -22.507 17.640 -2.220 1.00 3.10 O1- ATOM 0 H ASP A 51 -21.434 15.971 -0.777 1.00 34.41 H new ATOM 0 HA ASP A 51 -23.683 14.322 -0.017 1.00 24.30 H new ATOM 0 HB2 ASP A 51 -24.960 15.739 -1.529 1.00 74.31 H new ATOM 0 HB3 ASP A 51 -23.994 16.704 -0.429 1.00 74.31 H new ATOM 615 N SER A 52 -24.241 13.269 -2.415 1.00 34.20 N ATOM 616 CA SER A 52 -24.217 12.269 -3.435 1.00 71.21 C ATOM 617 C SER A 52 -24.014 12.809 -4.838 1.00 22.21 C ATOM 618 O SER A 52 -23.657 12.042 -5.736 1.00 61.13 O ATOM 619 CB SER A 52 -25.369 11.327 -3.355 1.00 34.44 C ATOM 620 OG SER A 52 -25.450 10.770 -2.048 1.00 61.23 O ATOM 0 H SER A 52 -25.165 13.529 -2.070 1.00 34.20 H new ATOM 0 HA SER A 52 -23.319 11.689 -3.220 1.00 71.21 H new ATOM 0 HB2 SER A 52 -26.295 11.850 -3.595 1.00 34.44 H new ATOM 0 HB3 SER A 52 -25.252 10.532 -4.092 1.00 34.44 H new ATOM 0 HG SER A 52 -25.362 9.795 -2.102 1.00 61.23 H new ATOM 626 N ILE A 53 -24.196 14.109 -5.049 1.00 54.13 N ATOM 627 CA ILE A 53 -23.890 14.637 -6.348 1.00 11.14 C ATOM 628 C ILE A 53 -22.409 14.720 -6.408 1.00 55.23 C ATOM 629 O ILE A 53 -21.815 14.362 -7.394 1.00 33.20 O ATOM 630 CB ILE A 53 -24.472 16.034 -6.665 1.00 55.42 C ATOM 631 CG1 ILE A 53 -26.009 16.041 -6.499 1.00 60.55 C ATOM 632 CG2 ILE A 53 -24.075 16.433 -8.114 1.00 3.25 C ATOM 633 CD1 ILE A 53 -26.752 15.055 -7.391 1.00 45.11 C ATOM 0 H ILE A 53 -24.539 14.781 -4.363 1.00 54.13 H new ATOM 0 HA ILE A 53 -24.346 13.976 -7.085 1.00 11.14 H new ATOM 0 HB ILE A 53 -24.062 16.761 -5.964 1.00 55.42 H new ATOM 0 HG12 ILE A 53 -26.249 15.821 -5.459 1.00 60.55 H new ATOM 0 HG13 ILE A 53 -26.378 17.046 -6.705 1.00 60.55 H new ATOM 0 HG21 ILE A 53 -24.482 17.417 -8.345 1.00 3.25 H new ATOM 0 HG22 ILE A 53 -22.989 16.460 -8.199 1.00 3.25 H new ATOM 0 HG23 ILE A 53 -24.475 15.701 -8.816 1.00 3.25 H new ATOM 0 HD11 ILE A 53 -27.823 15.132 -7.205 1.00 45.11 H new ATOM 0 HD12 ILE A 53 -26.548 15.285 -8.437 1.00 45.11 H new ATOM 0 HD13 ILE A 53 -26.417 14.041 -7.171 1.00 45.11 H new ATOM 645 N ARG A 54 -21.818 15.140 -5.288 1.00 32.23 N ATOM 646 CA ARG A 54 -20.390 15.217 -5.118 1.00 64.30 C ATOM 647 C ARG A 54 -19.802 13.855 -5.469 1.00 41.51 C ATOM 648 O ARG A 54 -18.907 13.740 -6.307 1.00 33.33 O ATOM 649 CB ARG A 54 -20.095 15.509 -3.662 1.00 40.03 C ATOM 650 CG ARG A 54 -18.901 16.351 -3.448 1.00 25.34 C ATOM 651 CD ARG A 54 -19.206 17.777 -3.811 1.00 34.30 C ATOM 652 NE ARG A 54 -20.119 18.402 -2.881 1.00 0.15 N ATOM 653 CZ ARG A 54 -19.859 19.481 -2.157 1.00 33.12 C ATOM 654 NH1 ARG A 54 -18.687 20.135 -2.276 1.00 44.44 N1+ ATOM 655 NH2 ARG A 54 -20.793 19.915 -1.321 1.00 1.41 N ATOM 0 H ARG A 54 -22.341 15.439 -4.465 1.00 32.23 H new ATOM 0 HA ARG A 54 -19.965 15.996 -5.752 1.00 64.30 H new ATOM 0 HB2 ARG A 54 -20.960 16.003 -3.219 1.00 40.03 H new ATOM 0 HB3 ARG A 54 -19.961 14.566 -3.133 1.00 40.03 H new ATOM 0 HG2 ARG A 54 -18.586 16.292 -2.406 1.00 25.34 H new ATOM 0 HG3 ARG A 54 -18.073 15.982 -4.053 1.00 25.34 H new ATOM 0 HD2 ARG A 54 -18.277 18.347 -3.842 1.00 34.30 H new ATOM 0 HD3 ARG A 54 -19.634 17.810 -4.813 1.00 34.30 H new ATOM 0 HE ARG A 54 -21.040 17.977 -2.773 1.00 0.15 H new ATOM 0 HH11 ARG A 54 -17.981 19.801 -2.932 1.00 44.44 H new ATOM 0 HH12 ARG A 54 -18.506 20.964 -1.710 1.00 44.44 H new ATOM 0 HH21 ARG A 54 -21.682 19.421 -1.249 1.00 1.41 H new ATOM 0 HH22 ARG A 54 -20.622 20.743 -0.750 1.00 1.41 H new ATOM 669 N LEU A 55 -20.387 12.842 -4.853 1.00 3.01 N ATOM 670 CA LEU A 55 -20.065 11.444 -5.068 1.00 40.44 C ATOM 671 C LEU A 55 -20.134 11.058 -6.561 1.00 22.01 C ATOM 672 O LEU A 55 -19.170 10.534 -7.118 1.00 41.13 O ATOM 673 CB LEU A 55 -21.018 10.575 -4.201 1.00 43.34 C ATOM 674 CG LEU A 55 -20.750 10.599 -2.680 1.00 62.52 C ATOM 675 CD1 LEU A 55 -21.764 9.773 -1.910 1.00 75.42 C ATOM 676 CD2 LEU A 55 -19.361 10.093 -2.373 1.00 73.24 C ATOM 0 H LEU A 55 -21.127 12.977 -4.164 1.00 3.01 H new ATOM 0 HA LEU A 55 -19.035 11.263 -4.762 1.00 40.44 H new ATOM 0 HB2 LEU A 55 -22.042 10.906 -4.376 1.00 43.34 H new ATOM 0 HB3 LEU A 55 -20.953 9.543 -4.546 1.00 43.34 H new ATOM 0 HG LEU A 55 -20.841 11.638 -2.362 1.00 62.52 H new ATOM 0 HD11 LEU A 55 -21.537 9.819 -0.845 1.00 75.42 H new ATOM 0 HD12 LEU A 55 -22.764 10.169 -2.085 1.00 75.42 H new ATOM 0 HD13 LEU A 55 -21.720 8.737 -2.246 1.00 75.42 H new ATOM 0 HD21 LEU A 55 -19.194 10.119 -1.296 1.00 73.24 H new ATOM 0 HD22 LEU A 55 -19.259 9.069 -2.732 1.00 73.24 H new ATOM 0 HD23 LEU A 55 -18.625 10.726 -2.869 1.00 73.24 H new ATOM 688 N MET A 56 -21.235 11.370 -7.223 1.00 35.23 N ATOM 689 CA MET A 56 -21.381 10.987 -8.627 1.00 41.32 C ATOM 690 C MET A 56 -20.611 11.892 -9.578 1.00 12.14 C ATOM 691 O MET A 56 -20.372 11.515 -10.738 1.00 44.11 O ATOM 692 CB MET A 56 -22.837 10.802 -9.058 1.00 64.51 C ATOM 693 CG MET A 56 -23.694 12.036 -8.958 1.00 4.34 C ATOM 694 SD MET A 56 -25.429 11.699 -9.302 1.00 12.03 S ATOM 695 CE MET A 56 -25.798 10.515 -8.002 1.00 12.02 C ATOM 0 H MET A 56 -22.027 11.876 -6.827 1.00 35.23 H new ATOM 0 HA MET A 56 -20.918 10.003 -8.698 1.00 41.32 H new ATOM 0 HB2 MET A 56 -22.852 10.450 -10.090 1.00 64.51 H new ATOM 0 HB3 MET A 56 -23.284 10.018 -8.447 1.00 64.51 H new ATOM 0 HG2 MET A 56 -23.601 12.459 -7.958 1.00 4.34 H new ATOM 0 HG3 MET A 56 -23.327 12.787 -9.658 1.00 4.34 H new ATOM 0 HE1 MET A 56 -26.767 10.749 -7.561 1.00 12.02 H new ATOM 0 HE2 MET A 56 -25.824 9.510 -8.422 1.00 12.02 H new ATOM 0 HE3 MET A 56 -25.027 10.567 -7.233 1.00 12.02 H new ATOM 705 N ARG A 57 -20.226 13.092 -9.118 1.00 70.15 N ATOM 706 CA ARG A 57 -19.365 13.929 -9.922 1.00 53.42 C ATOM 707 C ARG A 57 -18.042 13.202 -10.067 1.00 74.43 C ATOM 708 O ARG A 57 -17.498 13.062 -11.161 1.00 24.11 O ATOM 709 CB ARG A 57 -19.084 15.321 -9.315 1.00 52.14 C ATOM 710 CG ARG A 57 -20.298 16.206 -9.147 1.00 41.42 C ATOM 711 CD ARG A 57 -19.911 17.666 -8.928 1.00 42.42 C ATOM 712 NE ARG A 57 -18.929 17.869 -7.844 1.00 20.52 N ATOM 713 CZ ARG A 57 -18.562 19.073 -7.364 1.00 65.53 C ATOM 714 NH1 ARG A 57 -19.180 20.185 -7.781 1.00 22.34 N1+ ATOM 715 NH2 ARG A 57 -17.607 19.164 -6.468 1.00 72.42 N ATOM 0 H ARG A 57 -20.496 13.485 -8.216 1.00 70.15 H new ATOM 0 HA ARG A 57 -19.874 14.104 -10.870 1.00 53.42 H new ATOM 0 HB2 ARG A 57 -18.614 15.187 -8.341 1.00 52.14 H new ATOM 0 HB3 ARG A 57 -18.363 15.837 -9.948 1.00 52.14 H new ATOM 0 HG2 ARG A 57 -20.930 16.127 -10.031 1.00 41.42 H new ATOM 0 HG3 ARG A 57 -20.888 15.856 -8.300 1.00 41.42 H new ATOM 0 HD2 ARG A 57 -19.501 18.066 -9.856 1.00 42.42 H new ATOM 0 HD3 ARG A 57 -20.810 18.240 -8.703 1.00 42.42 H new ATOM 0 HE ARG A 57 -18.499 17.041 -7.431 1.00 20.52 H new ATOM 0 HH11 ARG A 57 -19.933 20.123 -8.466 1.00 22.34 H new ATOM 0 HH12 ARG A 57 -18.898 21.094 -7.414 1.00 22.34 H new ATOM 0 HH21 ARG A 57 -17.140 18.321 -6.133 1.00 72.42 H new ATOM 0 HH22 ARG A 57 -17.332 20.077 -6.107 1.00 72.42 H new ATOM 729 N TRP A 58 -17.577 12.673 -8.930 1.00 40.02 N ATOM 730 CA TRP A 58 -16.340 11.921 -8.857 1.00 22.44 C ATOM 731 C TRP A 58 -16.401 10.631 -9.662 1.00 72.43 C ATOM 732 O TRP A 58 -15.386 10.183 -10.185 1.00 22.51 O ATOM 733 CB TRP A 58 -15.946 11.617 -7.416 1.00 34.13 C ATOM 734 CG TRP A 58 -15.466 12.797 -6.615 1.00 33.23 C ATOM 735 CD1 TRP A 58 -15.909 13.191 -5.382 1.00 60.34 C ATOM 736 CD2 TRP A 58 -14.441 13.733 -6.990 1.00 4.44 C ATOM 737 NE1 TRP A 58 -15.197 14.269 -4.949 1.00 62.01 N ATOM 738 CE2 TRP A 58 -14.288 14.630 -5.925 1.00 15.44 C ATOM 739 CE3 TRP A 58 -13.629 13.888 -8.120 1.00 33.32 C ATOM 740 CZ2 TRP A 58 -13.345 15.663 -5.961 1.00 30.40 C ATOM 741 CZ3 TRP A 58 -12.710 14.913 -8.149 1.00 0.33 C ATOM 742 CH2 TRP A 58 -12.573 15.783 -7.076 1.00 24.33 C ATOM 0 H TRP A 58 -18.058 12.760 -8.035 1.00 40.02 H new ATOM 0 HA TRP A 58 -15.574 12.558 -9.298 1.00 22.44 H new ATOM 0 HB2 TRP A 58 -16.805 11.179 -6.907 1.00 34.13 H new ATOM 0 HB3 TRP A 58 -15.161 10.861 -7.424 1.00 34.13 H new ATOM 0 HD1 TRP A 58 -16.708 12.716 -4.831 1.00 60.34 H new ATOM 0 HE1 TRP A 58 -15.316 14.735 -4.049 1.00 62.01 H new ATOM 0 HE3 TRP A 58 -13.722 13.213 -8.958 1.00 33.32 H new ATOM 0 HZ2 TRP A 58 -13.233 16.344 -5.130 1.00 30.40 H new ATOM 0 HZ3 TRP A 58 -12.086 15.042 -9.021 1.00 0.33 H new ATOM 0 HH2 TRP A 58 -11.838 16.572 -7.127 1.00 24.33 H new ATOM 753 N LEU A 59 -17.591 10.046 -9.776 1.00 10.43 N ATOM 754 CA LEU A 59 -17.788 8.828 -10.572 1.00 13.35 C ATOM 755 C LEU A 59 -17.335 9.045 -12.018 1.00 74.01 C ATOM 756 O LEU A 59 -16.725 8.170 -12.650 1.00 33.12 O ATOM 757 CB LEU A 59 -19.256 8.372 -10.530 1.00 60.22 C ATOM 758 CG LEU A 59 -19.621 7.151 -11.392 1.00 64.25 C ATOM 759 CD1 LEU A 59 -18.795 5.925 -11.012 1.00 31.51 C ATOM 760 CD2 LEU A 59 -21.106 6.850 -11.284 1.00 41.21 C ATOM 0 H LEU A 59 -18.438 10.394 -9.327 1.00 10.43 H new ATOM 0 HA LEU A 59 -17.175 8.040 -10.134 1.00 13.35 H new ATOM 0 HB2 LEU A 59 -19.514 8.148 -9.495 1.00 60.22 H new ATOM 0 HB3 LEU A 59 -19.882 9.208 -10.841 1.00 60.22 H new ATOM 0 HG LEU A 59 -19.387 7.396 -12.428 1.00 64.25 H new ATOM 0 HD11 LEU A 59 -19.082 5.083 -11.643 1.00 31.51 H new ATOM 0 HD12 LEU A 59 -17.736 6.141 -11.154 1.00 31.51 H new ATOM 0 HD13 LEU A 59 -18.977 5.674 -9.967 1.00 31.51 H new ATOM 0 HD21 LEU A 59 -21.347 5.984 -11.900 1.00 41.21 H new ATOM 0 HD22 LEU A 59 -21.360 6.639 -10.245 1.00 41.21 H new ATOM 0 HD23 LEU A 59 -21.678 7.711 -11.629 1.00 41.21 H new ATOM 772 N HIS A 60 -17.584 10.230 -12.509 1.00 42.32 N ATOM 773 CA HIS A 60 -17.217 10.593 -13.856 1.00 23.42 C ATOM 774 C HIS A 60 -15.741 10.933 -13.935 1.00 42.04 C ATOM 775 O HIS A 60 -15.115 10.794 -14.981 1.00 75.50 O ATOM 776 CB HIS A 60 -18.093 11.749 -14.354 1.00 24.52 C ATOM 777 CG HIS A 60 -19.520 11.341 -14.576 1.00 65.25 C ATOM 778 ND1 HIS A 60 -20.498 11.322 -13.597 1.00 53.30 N ATOM 779 CD2 HIS A 60 -20.110 10.879 -15.696 1.00 41.11 C ATOM 780 CE1 HIS A 60 -21.621 10.852 -14.145 1.00 20.14 C ATOM 781 NE2 HIS A 60 -21.435 10.561 -15.428 1.00 61.31 N ATOM 0 H HIS A 60 -18.048 10.974 -11.987 1.00 42.32 H new ATOM 0 HA HIS A 60 -17.390 9.739 -14.511 1.00 23.42 H new ATOM 0 HB2 HIS A 60 -18.061 12.562 -13.629 1.00 24.52 H new ATOM 0 HB3 HIS A 60 -17.681 12.136 -15.286 1.00 24.52 H new ATOM 0 HD1 HIS A 60 -20.381 11.616 -12.627 1.00 53.30 H new ATOM 0 HD2 HIS A 60 -19.626 10.772 -16.656 1.00 41.11 H new ATOM 0 HE1 HIS A 60 -22.554 10.725 -13.617 1.00 20.14 H new ATOM 789 N TRP A 61 -15.181 11.307 -12.807 1.00 61.51 N ATOM 790 CA TRP A 61 -13.789 11.672 -12.724 1.00 2.15 C ATOM 791 C TRP A 61 -12.926 10.397 -12.730 1.00 5.32 C ATOM 792 O TRP A 61 -11.784 10.405 -13.209 1.00 10.21 O ATOM 793 CB TRP A 61 -13.540 12.500 -11.459 1.00 31.25 C ATOM 794 CG TRP A 61 -12.258 13.271 -11.486 1.00 53.13 C ATOM 795 CD1 TRP A 61 -12.108 14.561 -11.870 1.00 24.42 C ATOM 796 CD2 TRP A 61 -10.961 12.812 -11.120 1.00 41.54 C ATOM 797 NE1 TRP A 61 -10.799 14.934 -11.788 1.00 51.22 N ATOM 798 CE2 TRP A 61 -10.072 13.880 -11.325 1.00 64.44 C ATOM 799 CE3 TRP A 61 -10.464 11.604 -10.645 1.00 12.41 C ATOM 800 CZ2 TRP A 61 -8.721 13.774 -11.074 1.00 32.21 C ATOM 801 CZ3 TRP A 61 -9.127 11.504 -10.396 1.00 72.22 C ATOM 802 CH2 TRP A 61 -8.271 12.582 -10.611 1.00 51.43 C ATOM 0 H TRP A 61 -15.681 11.366 -11.920 1.00 61.51 H new ATOM 0 HA TRP A 61 -13.516 12.282 -13.585 1.00 2.15 H new ATOM 0 HB2 TRP A 61 -14.368 13.195 -11.322 1.00 31.25 H new ATOM 0 HB3 TRP A 61 -13.535 11.835 -10.595 1.00 31.25 H new ATOM 0 HD1 TRP A 61 -12.912 15.204 -12.196 1.00 24.42 H new ATOM 0 HE1 TRP A 61 -10.426 15.851 -12.033 1.00 51.22 H new ATOM 0 HE3 TRP A 61 -11.122 10.764 -10.477 1.00 12.41 H new ATOM 0 HZ2 TRP A 61 -8.050 14.604 -11.239 1.00 32.21 H new ATOM 0 HZ3 TRP A 61 -8.725 10.573 -10.026 1.00 72.22 H new ATOM 0 HH2 TRP A 61 -7.218 12.465 -10.403 1.00 51.43 H new ATOM 813 N PHE A 62 -13.467 9.309 -12.193 1.00 42.53 N ATOM 814 CA PHE A 62 -12.786 8.015 -12.247 1.00 23.52 C ATOM 815 C PHE A 62 -12.793 7.530 -13.664 1.00 33.40 C ATOM 816 O PHE A 62 -11.748 7.263 -14.276 1.00 53.12 O ATOM 817 CB PHE A 62 -13.515 6.952 -11.417 1.00 52.21 C ATOM 818 CG PHE A 62 -13.623 7.234 -9.978 1.00 11.34 C ATOM 819 CD1 PHE A 62 -12.510 7.495 -9.237 1.00 32.15 C ATOM 820 CD2 PHE A 62 -14.844 7.203 -9.364 1.00 41.45 C ATOM 821 CE1 PHE A 62 -12.615 7.729 -7.883 1.00 42.24 C ATOM 822 CE2 PHE A 62 -14.968 7.441 -8.023 1.00 4.11 C ATOM 823 CZ PHE A 62 -13.853 7.704 -7.280 1.00 74.33 C ATOM 0 H PHE A 62 -14.369 9.294 -11.718 1.00 42.53 H new ATOM 0 HA PHE A 62 -11.779 8.157 -11.855 1.00 23.52 H new ATOM 0 HB2 PHE A 62 -14.520 6.827 -11.821 1.00 52.21 H new ATOM 0 HB3 PHE A 62 -12.999 6.000 -11.545 1.00 52.21 H new ATOM 0 HD1 PHE A 62 -11.541 7.519 -9.713 1.00 32.15 H new ATOM 0 HD2 PHE A 62 -15.726 6.987 -9.948 1.00 41.45 H new ATOM 0 HE1 PHE A 62 -11.730 7.931 -7.297 1.00 42.24 H new ATOM 0 HE2 PHE A 62 -15.941 7.421 -7.555 1.00 4.11 H new ATOM 0 HZ PHE A 62 -13.942 7.892 -6.220 1.00 74.33 H new ATOM 833 N ARG A 63 -13.989 7.498 -14.199 1.00 43.54 N ATOM 834 CA ARG A 63 -14.284 6.962 -15.505 1.00 4.24 C ATOM 835 C ARG A 63 -13.550 7.758 -16.619 1.00 12.12 C ATOM 836 O ARG A 63 -13.456 7.310 -17.746 1.00 5.23 O ATOM 837 CB ARG A 63 -15.796 6.962 -15.682 1.00 13.32 C ATOM 838 CG ARG A 63 -16.360 5.718 -16.333 1.00 44.42 C ATOM 839 CD ARG A 63 -17.865 5.847 -16.514 1.00 22.42 C ATOM 840 NE ARG A 63 -18.224 6.981 -17.389 1.00 64.24 N ATOM 841 CZ ARG A 63 -19.289 7.793 -17.218 1.00 71.41 C ATOM 842 NH1 ARG A 63 -20.102 7.639 -16.165 1.00 22.12 N1+ ATOM 843 NH2 ARG A 63 -19.532 8.770 -18.101 1.00 21.22 N ATOM 0 H ARG A 63 -14.814 7.858 -13.719 1.00 43.54 H new ATOM 0 HA ARG A 63 -13.918 5.939 -15.589 1.00 4.24 H new ATOM 0 HB2 ARG A 63 -16.262 7.086 -14.704 1.00 13.32 H new ATOM 0 HB3 ARG A 63 -16.077 7.828 -16.281 1.00 13.32 H new ATOM 0 HG2 ARG A 63 -15.884 5.559 -17.300 1.00 44.42 H new ATOM 0 HG3 ARG A 63 -16.135 4.846 -15.720 1.00 44.42 H new ATOM 0 HD2 ARG A 63 -18.259 4.923 -16.938 1.00 22.42 H new ATOM 0 HD3 ARG A 63 -18.337 5.977 -15.540 1.00 22.42 H new ATOM 0 HE ARG A 63 -17.618 7.166 -18.188 1.00 64.24 H new ATOM 0 HH11 ARG A 63 -19.919 6.903 -15.483 1.00 22.12 H new ATOM 0 HH12 ARG A 63 -20.904 8.258 -16.045 1.00 22.12 H new ATOM 0 HH21 ARG A 63 -18.913 8.900 -18.901 1.00 21.22 H new ATOM 0 HH22 ARG A 63 -20.336 9.384 -17.973 1.00 21.22 H new ATOM 857 N LYS A 64 -13.045 8.936 -16.238 1.00 2.11 N ATOM 858 CA LYS A 64 -12.191 9.822 -17.053 1.00 55.32 C ATOM 859 C LYS A 64 -11.005 9.048 -17.651 1.00 2.11 C ATOM 860 O LYS A 64 -10.669 9.213 -18.810 1.00 71.33 O ATOM 861 CB LYS A 64 -11.657 10.926 -16.115 1.00 1.12 C ATOM 862 CG LYS A 64 -10.707 11.969 -16.706 1.00 55.53 C ATOM 863 CD LYS A 64 -10.217 12.969 -15.621 1.00 4.43 C ATOM 864 CE LYS A 64 -9.002 12.480 -14.758 1.00 73.01 C ATOM 865 NZ LYS A 64 -9.192 11.163 -14.087 1.00 32.11 N1+ ATOM 0 H LYS A 64 -13.226 9.320 -15.311 1.00 2.11 H new ATOM 0 HA LYS A 64 -12.768 10.238 -17.879 1.00 55.32 H new ATOM 0 HB2 LYS A 64 -12.514 11.453 -15.697 1.00 1.12 H new ATOM 0 HB3 LYS A 64 -11.145 10.440 -15.284 1.00 1.12 H new ATOM 0 HG2 LYS A 64 -9.849 11.469 -17.156 1.00 55.53 H new ATOM 0 HG3 LYS A 64 -11.213 12.514 -17.503 1.00 55.53 H new ATOM 0 HD2 LYS A 64 -9.941 13.904 -16.110 1.00 4.43 H new ATOM 0 HD3 LYS A 64 -11.049 13.192 -14.953 1.00 4.43 H new ATOM 0 HE2 LYS A 64 -8.122 12.420 -15.399 1.00 73.01 H new ATOM 0 HE3 LYS A 64 -8.792 13.231 -13.997 1.00 73.01 H new ATOM 0 HZ1 LYS A 64 -8.510 11.069 -13.308 1.00 32.11 H new ATOM 0 HZ2 LYS A 64 -10.159 11.102 -13.710 1.00 32.11 H new ATOM 0 HZ3 LYS A 64 -9.040 10.398 -14.775 1.00 32.11 H new ATOM 879 N ASN A 65 -10.388 8.198 -16.840 1.00 74.35 N ATOM 880 CA ASN A 65 -9.206 7.432 -17.288 1.00 51.21 C ATOM 881 C ASN A 65 -9.573 5.990 -17.445 1.00 33.24 C ATOM 882 O ASN A 65 -8.716 5.139 -17.646 1.00 1.53 O ATOM 883 CB ASN A 65 -8.043 7.518 -16.282 1.00 43.23 C ATOM 884 CG ASN A 65 -7.469 8.903 -16.078 1.00 25.23 C ATOM 885 OD1 ASN A 65 -8.149 9.902 -16.246 1.00 14.45 O ATOM 886 ND2 ASN A 65 -6.230 8.969 -15.668 1.00 12.13 N ATOM 0 H ASN A 65 -10.673 8.015 -15.878 1.00 74.35 H new ATOM 0 HA ASN A 65 -8.884 7.865 -18.235 1.00 51.21 H new ATOM 0 HB2 ASN A 65 -8.387 7.139 -15.320 1.00 43.23 H new ATOM 0 HB3 ASN A 65 -7.244 6.857 -16.617 1.00 43.23 H new ATOM 0 HD21 ASN A 65 -5.803 9.876 -15.478 1.00 12.13 H new ATOM 0 HD22 ASN A 65 -5.690 8.114 -15.538 1.00 12.13 H new ATOM 893 N GLY A 66 -10.845 5.718 -17.346 1.00 20.44 N ATOM 894 CA GLY A 66 -11.306 4.367 -17.432 1.00 75.02 C ATOM 895 C GLY A 66 -11.382 3.691 -16.083 1.00 4.02 C ATOM 896 O GLY A 66 -11.611 2.492 -16.017 1.00 21.12 O ATOM 0 H GLY A 66 -11.577 6.415 -17.206 1.00 20.44 H new ATOM 0 HA2 GLY A 66 -12.292 4.352 -17.897 1.00 75.02 H new ATOM 0 HA3 GLY A 66 -10.639 3.800 -18.081 1.00 75.02 H new ATOM 900 N TYR A 67 -11.201 4.458 -14.992 1.00 52.23 N ATOM 901 CA TYR A 67 -11.300 3.874 -13.660 1.00 3.12 C ATOM 902 C TYR A 67 -12.698 3.458 -13.415 1.00 54.33 C ATOM 903 O TYR A 67 -13.652 4.081 -13.918 1.00 1.11 O ATOM 904 CB TYR A 67 -10.827 4.793 -12.540 1.00 23.21 C ATOM 905 CG TYR A 67 -9.404 5.168 -12.660 1.00 41.22 C ATOM 906 CD1 TYR A 67 -9.039 6.480 -12.844 1.00 23.53 C ATOM 907 CD2 TYR A 67 -8.424 4.204 -12.642 1.00 71.41 C ATOM 908 CE1 TYR A 67 -7.727 6.822 -13.016 1.00 64.33 C ATOM 909 CE2 TYR A 67 -7.113 4.533 -12.793 1.00 54.41 C ATOM 910 CZ TYR A 67 -6.765 5.846 -12.986 1.00 62.12 C ATOM 911 OH TYR A 67 -5.462 6.175 -13.196 1.00 54.43 O ATOM 0 H TYR A 67 -10.991 5.456 -15.012 1.00 52.23 H new ATOM 0 HA TYR A 67 -10.627 3.017 -13.644 1.00 3.12 H new ATOM 0 HB2 TYR A 67 -11.436 5.697 -12.539 1.00 23.21 H new ATOM 0 HB3 TYR A 67 -10.987 4.300 -11.581 1.00 23.21 H new ATOM 0 HD1 TYR A 67 -9.797 7.249 -12.853 1.00 23.53 H new ATOM 0 HD2 TYR A 67 -8.700 3.169 -12.506 1.00 71.41 H new ATOM 0 HE1 TYR A 67 -7.450 7.854 -13.174 1.00 64.33 H new ATOM 0 HE2 TYR A 67 -6.352 3.767 -12.761 1.00 54.41 H new ATOM 0 HH TYR A 67 -5.020 6.327 -12.335 1.00 54.43 H new ATOM 921 N ARG A 68 -12.845 2.477 -12.616 1.00 64.32 N ATOM 922 CA ARG A 68 -14.123 1.842 -12.491 1.00 11.44 C ATOM 923 C ARG A 68 -14.432 1.397 -11.108 1.00 62.51 C ATOM 924 O ARG A 68 -13.625 0.732 -10.435 1.00 50.35 O ATOM 925 CB ARG A 68 -14.293 0.663 -13.462 1.00 2.42 C ATOM 926 CG ARG A 68 -14.490 1.040 -14.935 1.00 31.24 C ATOM 927 CD ARG A 68 -14.828 -0.192 -15.755 1.00 3.55 C ATOM 928 NE ARG A 68 -15.987 -0.897 -15.162 1.00 22.40 N ATOM 929 CZ ARG A 68 -15.967 -2.197 -14.855 1.00 24.02 C ATOM 930 NH1 ARG A 68 -15.113 -2.986 -15.415 1.00 24.25 N1+ ATOM 931 NH2 ARG A 68 -16.866 -2.723 -14.031 1.00 63.40 N ATOM 0 H ARG A 68 -12.106 2.085 -12.032 1.00 64.32 H new ATOM 0 HA ARG A 68 -14.839 2.620 -12.756 1.00 11.44 H new ATOM 0 HB2 ARG A 68 -13.415 0.022 -13.384 1.00 2.42 H new ATOM 0 HB3 ARG A 68 -15.149 0.071 -13.140 1.00 2.42 H new ATOM 0 HG2 ARG A 68 -15.289 1.775 -15.025 1.00 31.24 H new ATOM 0 HG3 ARG A 68 -13.584 1.505 -15.322 1.00 31.24 H new ATOM 0 HD2 ARG A 68 -15.054 0.096 -16.782 1.00 3.55 H new ATOM 0 HD3 ARG A 68 -13.967 -0.860 -15.794 1.00 3.55 H new ATOM 0 HE ARG A 68 -16.839 -0.366 -14.980 1.00 22.40 H new ATOM 0 HH11 ARG A 68 -14.449 -2.618 -16.096 1.00 24.25 H new ATOM 0 HH12 ARG A 68 -15.102 -3.978 -15.177 1.00 24.25 H new ATOM 0 HH21 ARG A 68 -17.589 -2.132 -13.620 1.00 63.40 H new ATOM 0 HH22 ARG A 68 -16.834 -3.718 -13.809 1.00 63.40 H new ATOM 945 N LEU A 69 -15.596 1.782 -10.686 1.00 44.30 N ATOM 946 CA LEU A 69 -16.159 1.382 -9.435 1.00 2.34 C ATOM 947 C LEU A 69 -17.613 1.741 -9.454 1.00 41.52 C ATOM 948 O LEU A 69 -18.038 2.515 -10.327 1.00 31.31 O ATOM 949 CB LEU A 69 -15.394 2.030 -8.235 1.00 41.21 C ATOM 950 CG LEU A 69 -15.219 3.561 -8.211 1.00 63.51 C ATOM 951 CD1 LEU A 69 -16.505 4.286 -7.838 1.00 4.20 C ATOM 952 CD2 LEU A 69 -14.081 3.945 -7.278 1.00 13.13 C ATOM 0 H LEU A 69 -16.201 2.405 -11.222 1.00 44.30 H new ATOM 0 HA LEU A 69 -16.058 0.306 -9.296 1.00 2.34 H new ATOM 0 HB2 LEU A 69 -15.910 1.742 -7.319 1.00 41.21 H new ATOM 0 HB3 LEU A 69 -14.401 1.583 -8.196 1.00 41.21 H new ATOM 0 HG LEU A 69 -14.967 3.879 -9.223 1.00 63.51 H new ATOM 0 HD11 LEU A 69 -16.329 5.362 -7.835 1.00 4.20 H new ATOM 0 HD12 LEU A 69 -17.281 4.047 -8.565 1.00 4.20 H new ATOM 0 HD13 LEU A 69 -16.827 3.969 -6.846 1.00 4.20 H new ATOM 0 HD21 LEU A 69 -13.967 5.029 -7.270 1.00 13.13 H new ATOM 0 HD22 LEU A 69 -14.304 3.596 -6.270 1.00 13.13 H new ATOM 0 HD23 LEU A 69 -13.155 3.486 -7.625 1.00 13.13 H new ATOM 964 N THR A 70 -18.378 1.180 -8.580 1.00 33.22 N ATOM 965 CA THR A 70 -19.725 1.577 -8.459 1.00 32.13 C ATOM 966 C THR A 70 -19.798 2.500 -7.266 1.00 10.10 C ATOM 967 O THR A 70 -19.102 2.302 -6.268 1.00 43.24 O ATOM 968 CB THR A 70 -20.715 0.384 -8.315 1.00 32.30 C ATOM 969 OG1 THR A 70 -20.442 -0.367 -7.142 1.00 73.11 O ATOM 970 CG2 THR A 70 -20.645 -0.531 -9.531 1.00 14.15 C ATOM 0 H THR A 70 -18.085 0.442 -7.939 1.00 33.22 H new ATOM 0 HA THR A 70 -20.037 2.079 -9.375 1.00 32.13 H new ATOM 0 HB THR A 70 -21.719 0.802 -8.241 1.00 32.30 H new ATOM 0 HG1 THR A 70 -19.522 -0.703 -7.175 1.00 73.11 H new ATOM 0 HG21 THR A 70 -21.346 -1.356 -9.406 1.00 14.15 H new ATOM 0 HG22 THR A 70 -20.905 0.033 -10.426 1.00 14.15 H new ATOM 0 HG23 THR A 70 -19.634 -0.926 -9.632 1.00 14.15 H new ATOM 978 N LEU A 71 -20.606 3.505 -7.358 1.00 15.24 N ATOM 979 CA LEU A 71 -20.655 4.522 -6.330 1.00 34.11 C ATOM 980 C LEU A 71 -21.197 3.971 -5.023 1.00 70.55 C ATOM 981 O LEU A 71 -20.889 4.477 -3.960 1.00 71.53 O ATOM 982 CB LEU A 71 -21.537 5.629 -6.772 1.00 44.41 C ATOM 983 CG LEU A 71 -21.381 6.944 -6.057 1.00 53.13 C ATOM 984 CD1 LEU A 71 -20.027 7.484 -6.358 1.00 5.13 C ATOM 985 CD2 LEU A 71 -22.464 7.910 -6.499 1.00 4.50 C ATOM 0 H LEU A 71 -21.249 3.654 -8.135 1.00 15.24 H new ATOM 0 HA LEU A 71 -19.637 4.876 -6.166 1.00 34.11 H new ATOM 0 HB2 LEU A 71 -21.365 5.797 -7.835 1.00 44.41 H new ATOM 0 HB3 LEU A 71 -22.572 5.304 -6.664 1.00 44.41 H new ATOM 0 HG LEU A 71 -21.483 6.804 -4.981 1.00 53.13 H new ATOM 0 HD11 LEU A 71 -19.894 8.438 -5.848 1.00 5.13 H new ATOM 0 HD12 LEU A 71 -19.270 6.780 -6.013 1.00 5.13 H new ATOM 0 HD13 LEU A 71 -19.924 7.630 -7.433 1.00 5.13 H new ATOM 0 HD21 LEU A 71 -22.342 8.858 -5.975 1.00 4.50 H new ATOM 0 HD22 LEU A 71 -22.387 8.076 -7.573 1.00 4.50 H new ATOM 0 HD23 LEU A 71 -23.443 7.491 -6.266 1.00 4.50 H new ATOM 997 N ARG A 72 -21.983 2.905 -5.107 1.00 54.35 N ATOM 998 CA ARG A 72 -22.604 2.319 -3.931 1.00 30.14 C ATOM 999 C ARG A 72 -21.553 1.717 -3.005 1.00 62.11 C ATOM 1000 O ARG A 72 -21.786 1.555 -1.813 1.00 62.51 O ATOM 1001 CB ARG A 72 -23.664 1.280 -4.321 1.00 41.43 C ATOM 1002 CG ARG A 72 -24.811 1.822 -5.160 1.00 74.12 C ATOM 1003 CD ARG A 72 -25.511 2.951 -4.447 1.00 64.33 C ATOM 1004 NE ARG A 72 -26.672 3.471 -5.206 1.00 53.11 N ATOM 1005 CZ ARG A 72 -27.126 4.752 -5.174 1.00 62.31 C ATOM 1006 NH1 ARG A 72 -26.480 5.680 -4.462 1.00 4.31 N1+ ATOM 1007 NH2 ARG A 72 -28.221 5.090 -5.868 1.00 33.41 N ATOM 0 H ARG A 72 -22.205 2.429 -5.981 1.00 54.35 H new ATOM 0 HA ARG A 72 -23.112 3.116 -3.388 1.00 30.14 H new ATOM 0 HB2 ARG A 72 -23.178 0.475 -4.872 1.00 41.43 H new ATOM 0 HB3 ARG A 72 -24.074 0.841 -3.411 1.00 41.43 H new ATOM 0 HG2 ARG A 72 -24.431 2.172 -6.120 1.00 74.12 H new ATOM 0 HG3 ARG A 72 -25.522 1.023 -5.371 1.00 74.12 H new ATOM 0 HD2 ARG A 72 -25.846 2.606 -3.469 1.00 64.33 H new ATOM 0 HD3 ARG A 72 -24.803 3.761 -4.274 1.00 64.33 H new ATOM 0 HE ARG A 72 -27.173 2.813 -5.803 1.00 53.11 H new ATOM 0 HH11 ARG A 72 -25.641 5.429 -3.939 1.00 4.31 H new ATOM 0 HH12 ARG A 72 -26.826 6.639 -4.442 1.00 4.31 H new ATOM 0 HH21 ARG A 72 -28.713 4.387 -6.419 1.00 33.41 H new ATOM 0 HH22 ARG A 72 -28.563 6.051 -5.845 1.00 33.41 H new ATOM 1021 N GLU A 73 -20.377 1.475 -3.555 1.00 12.00 N ATOM 1022 CA GLU A 73 -19.256 0.915 -2.783 1.00 10.43 C ATOM 1023 C GLU A 73 -18.652 2.001 -1.917 1.00 3.24 C ATOM 1024 O GLU A 73 -18.166 1.754 -0.810 1.00 40.42 O ATOM 1025 CB GLU A 73 -18.188 0.359 -3.723 1.00 64.52 C ATOM 1026 CG GLU A 73 -18.660 -0.805 -4.556 1.00 71.31 C ATOM 1027 CD GLU A 73 -17.691 -1.181 -5.654 1.00 31.31 C ATOM 1028 OE1 GLU A 73 -17.820 -0.650 -6.773 1.00 15.54 O ATOM 1029 OE2 GLU A 73 -16.784 -1.996 -5.437 1.00 25.14 O1- ATOM 0 H GLU A 73 -20.162 1.654 -4.536 1.00 12.00 H new ATOM 0 HA GLU A 73 -19.627 0.105 -2.155 1.00 10.43 H new ATOM 0 HB2 GLU A 73 -17.850 1.155 -4.386 1.00 64.52 H new ATOM 0 HB3 GLU A 73 -17.325 0.047 -3.134 1.00 64.52 H new ATOM 0 HG2 GLU A 73 -18.818 -1.667 -3.908 1.00 71.31 H new ATOM 0 HG3 GLU A 73 -19.625 -0.559 -5.000 1.00 71.31 H new ATOM 1036 N LEU A 74 -18.758 3.219 -2.406 1.00 0.12 N ATOM 1037 CA LEU A 74 -18.170 4.371 -1.745 1.00 31.44 C ATOM 1038 C LEU A 74 -19.021 4.794 -0.555 1.00 22.32 C ATOM 1039 O LEU A 74 -18.561 5.513 0.321 1.00 2.32 O ATOM 1040 CB LEU A 74 -18.003 5.542 -2.722 1.00 54.33 C ATOM 1041 CG LEU A 74 -17.342 5.223 -4.074 1.00 33.15 C ATOM 1042 CD1 LEU A 74 -17.015 6.498 -4.818 1.00 53.50 C ATOM 1043 CD2 LEU A 74 -16.099 4.370 -3.907 1.00 72.24 C ATOM 0 H LEU A 74 -19.252 3.441 -3.270 1.00 0.12 H new ATOM 0 HA LEU A 74 -17.182 4.084 -1.386 1.00 31.44 H new ATOM 0 HB2 LEU A 74 -18.988 5.967 -2.916 1.00 54.33 H new ATOM 0 HB3 LEU A 74 -17.414 6.315 -2.229 1.00 54.33 H new ATOM 0 HG LEU A 74 -18.057 4.647 -4.661 1.00 33.15 H new ATOM 0 HD11 LEU A 74 -16.548 6.253 -5.772 1.00 53.50 H new ATOM 0 HD12 LEU A 74 -17.931 7.060 -4.996 1.00 53.50 H new ATOM 0 HD13 LEU A 74 -16.329 7.101 -4.223 1.00 53.50 H new ATOM 0 HD21 LEU A 74 -15.663 4.167 -4.885 1.00 72.24 H new ATOM 0 HD22 LEU A 74 -15.374 4.900 -3.289 1.00 72.24 H new ATOM 0 HD23 LEU A 74 -16.366 3.429 -3.427 1.00 72.24 H new ATOM 1055 N TYR A 75 -20.278 4.372 -0.565 1.00 10.13 N ATOM 1056 CA TYR A 75 -21.167 4.599 0.568 1.00 43.33 C ATOM 1057 C TYR A 75 -20.931 3.526 1.617 1.00 70.01 C ATOM 1058 O TYR A 75 -21.000 3.794 2.808 1.00 52.04 O ATOM 1059 CB TYR A 75 -22.634 4.499 0.177 1.00 74.14 C ATOM 1060 CG TYR A 75 -23.216 5.550 -0.717 1.00 14.34 C ATOM 1061 CD1 TYR A 75 -23.045 5.501 -2.080 1.00 74.54 C ATOM 1062 CD2 TYR A 75 -24.033 6.537 -0.192 1.00 60.12 C ATOM 1063 CE1 TYR A 75 -23.666 6.398 -2.905 1.00 34.33 C ATOM 1064 CE2 TYR A 75 -24.644 7.457 -1.005 1.00 45.11 C ATOM 1065 CZ TYR A 75 -24.460 7.377 -2.366 1.00 45.21 C ATOM 1066 OH TYR A 75 -25.118 8.238 -3.197 1.00 61.45 O ATOM 0 H TYR A 75 -20.706 3.871 -1.344 1.00 10.13 H new ATOM 0 HA TYR A 75 -20.952 5.601 0.939 1.00 43.33 H new ATOM 0 HB2 TYR A 75 -22.781 3.534 -0.309 1.00 74.14 H new ATOM 0 HB3 TYR A 75 -23.220 4.486 1.096 1.00 74.14 H new ATOM 0 HD1 TYR A 75 -22.409 4.740 -2.507 1.00 74.54 H new ATOM 0 HD2 TYR A 75 -24.192 6.583 0.875 1.00 60.12 H new ATOM 0 HE1 TYR A 75 -23.532 6.335 -3.975 1.00 34.33 H new ATOM 0 HE2 TYR A 75 -25.262 8.235 -0.582 1.00 45.11 H new ATOM 0 HH TYR A 75 -25.111 7.881 -4.110 1.00 61.45 H new ATOM 1076 N ALA A 76 -20.690 2.292 1.141 1.00 13.41 N ATOM 1077 CA ALA A 76 -20.487 1.129 2.010 1.00 53.42 C ATOM 1078 C ALA A 76 -19.294 1.344 2.918 1.00 72.11 C ATOM 1079 O ALA A 76 -19.336 1.045 4.110 1.00 61.33 O ATOM 1080 CB ALA A 76 -20.309 -0.133 1.177 1.00 4.44 C ATOM 0 H ALA A 76 -20.631 2.077 0.146 1.00 13.41 H new ATOM 0 HA ALA A 76 -21.372 1.006 2.634 1.00 53.42 H new ATOM 0 HB1 ALA A 76 -20.159 -0.987 1.838 1.00 4.44 H new ATOM 0 HB2 ALA A 76 -21.199 -0.296 0.569 1.00 4.44 H new ATOM 0 HB3 ALA A 76 -19.441 -0.021 0.527 1.00 4.44 H new ATOM 1086 N ALA A 77 -18.238 1.856 2.349 1.00 64.03 N ATOM 1087 CA ALA A 77 -17.086 2.229 3.107 1.00 62.41 C ATOM 1088 C ALA A 77 -16.744 3.662 2.756 1.00 54.33 C ATOM 1089 O ALA A 77 -15.931 3.919 1.860 1.00 60.21 O ATOM 1090 CB ALA A 77 -15.912 1.291 2.839 1.00 15.42 C ATOM 0 H ALA A 77 -18.156 2.025 1.346 1.00 64.03 H new ATOM 0 HA ALA A 77 -17.300 2.149 4.173 1.00 62.41 H new ATOM 0 HB1 ALA A 77 -15.053 1.605 3.432 1.00 15.42 H new ATOM 0 HB2 ALA A 77 -16.190 0.273 3.113 1.00 15.42 H new ATOM 0 HB3 ALA A 77 -15.654 1.325 1.781 1.00 15.42 H new ATOM 1096 N PRO A 78 -17.389 4.633 3.410 1.00 10.53 N ATOM 1097 CA PRO A 78 -17.212 6.011 3.056 1.00 51.34 C ATOM 1098 C PRO A 78 -15.940 6.589 3.628 1.00 14.33 C ATOM 1099 O PRO A 78 -15.924 7.195 4.693 1.00 65.01 O ATOM 1100 CB PRO A 78 -18.444 6.695 3.633 1.00 3.41 C ATOM 1101 CG PRO A 78 -18.882 5.836 4.779 1.00 70.04 C ATOM 1102 CD PRO A 78 -18.321 4.455 4.541 1.00 64.42 C ATOM 0 HA PRO A 78 -17.116 6.149 1.979 1.00 51.34 H new ATOM 0 HB2 PRO A 78 -18.211 7.706 3.968 1.00 3.41 H new ATOM 0 HB3 PRO A 78 -19.231 6.781 2.884 1.00 3.41 H new ATOM 0 HG2 PRO A 78 -18.520 6.241 5.724 1.00 70.04 H new ATOM 0 HG3 PRO A 78 -19.970 5.804 4.842 1.00 70.04 H new ATOM 0 HD2 PRO A 78 -17.807 4.076 5.425 1.00 64.42 H new ATOM 0 HD3 PRO A 78 -19.109 3.741 4.300 1.00 64.42 H new ATOM 1110 N THR A 79 -14.895 6.408 2.893 1.00 23.34 N ATOM 1111 CA THR A 79 -13.573 6.845 3.226 1.00 51.53 C ATOM 1112 C THR A 79 -12.873 7.041 1.933 1.00 11.31 C ATOM 1113 O THR A 79 -13.326 6.500 0.932 1.00 23.53 O ATOM 1114 CB THR A 79 -12.808 5.747 4.010 1.00 5.53 C ATOM 1115 OG1 THR A 79 -12.973 4.477 3.342 1.00 0.34 O ATOM 1116 CG2 THR A 79 -13.276 5.642 5.448 1.00 20.41 C ATOM 0 H THR A 79 -14.938 5.926 1.995 1.00 23.34 H new ATOM 0 HA THR A 79 -13.616 7.746 3.838 1.00 51.53 H new ATOM 0 HB THR A 79 -11.754 6.024 4.032 1.00 5.53 H new ATOM 0 HG1 THR A 79 -12.489 3.782 3.836 1.00 0.34 H new ATOM 0 HG21 THR A 79 -12.713 4.861 5.958 1.00 20.41 H new ATOM 0 HG22 THR A 79 -13.115 6.594 5.953 1.00 20.41 H new ATOM 0 HG23 THR A 79 -14.338 5.396 5.468 1.00 20.41 H new ATOM 1124 N LEU A 80 -11.805 7.790 1.923 1.00 23.14 N ATOM 1125 CA LEU A 80 -11.012 7.938 0.722 1.00 31.24 C ATOM 1126 C LEU A 80 -10.457 6.596 0.309 1.00 54.03 C ATOM 1127 O LEU A 80 -10.496 6.211 -0.872 1.00 24.41 O ATOM 1128 CB LEU A 80 -9.844 8.794 0.998 1.00 24.44 C ATOM 1129 CG LEU A 80 -10.089 10.254 1.233 1.00 51.13 C ATOM 1130 CD1 LEU A 80 -8.866 10.818 1.829 1.00 54.31 C ATOM 1131 CD2 LEU A 80 -10.360 10.968 -0.071 1.00 43.42 C ATOM 0 H LEU A 80 -11.459 8.309 2.730 1.00 23.14 H new ATOM 0 HA LEU A 80 -11.649 8.365 -0.052 1.00 31.24 H new ATOM 0 HB2 LEU A 80 -9.335 8.394 1.875 1.00 24.44 H new ATOM 0 HB3 LEU A 80 -9.154 8.701 0.159 1.00 24.44 H new ATOM 0 HG LEU A 80 -10.953 10.380 1.885 1.00 51.13 H new ATOM 0 HD11 LEU A 80 -9.009 11.883 2.014 1.00 54.31 H new ATOM 0 HD12 LEU A 80 -8.653 10.311 2.770 1.00 54.31 H new ATOM 0 HD13 LEU A 80 -8.030 10.678 1.144 1.00 54.31 H new ATOM 0 HD21 LEU A 80 -10.535 12.026 0.123 1.00 43.42 H new ATOM 0 HD22 LEU A 80 -9.500 10.858 -0.732 1.00 43.42 H new ATOM 0 HD23 LEU A 80 -11.241 10.536 -0.546 1.00 43.42 H new ATOM 1143 N ALA A 81 -9.957 5.899 1.327 1.00 23.31 N ATOM 1144 CA ALA A 81 -9.308 4.588 1.224 1.00 14.23 C ATOM 1145 C ALA A 81 -10.044 3.630 0.333 1.00 61.22 C ATOM 1146 O ALA A 81 -9.430 2.941 -0.474 1.00 13.50 O ATOM 1147 CB ALA A 81 -9.142 3.965 2.603 1.00 3.32 C ATOM 0 H ALA A 81 -9.993 6.244 2.286 1.00 23.31 H new ATOM 0 HA ALA A 81 -8.333 4.770 0.771 1.00 14.23 H new ATOM 0 HB1 ALA A 81 -8.659 2.993 2.507 1.00 3.32 H new ATOM 0 HB2 ALA A 81 -8.527 4.616 3.225 1.00 3.32 H new ATOM 0 HB3 ALA A 81 -10.121 3.840 3.066 1.00 3.32 H new ATOM 1153 N ALA A 82 -11.351 3.574 0.471 1.00 23.31 N ATOM 1154 CA ALA A 82 -12.142 2.662 -0.321 1.00 61.20 C ATOM 1155 C ALA A 82 -12.044 2.984 -1.801 1.00 34.11 C ATOM 1156 O ALA A 82 -11.717 2.113 -2.587 1.00 11.25 O ATOM 1157 CB ALA A 82 -13.586 2.655 0.126 1.00 30.44 C ATOM 0 H ALA A 82 -11.886 4.148 1.123 1.00 23.31 H new ATOM 0 HA ALA A 82 -11.734 1.663 -0.165 1.00 61.20 H new ATOM 0 HB1 ALA A 82 -14.154 1.958 -0.490 1.00 30.44 H new ATOM 0 HB2 ALA A 82 -13.642 2.345 1.170 1.00 30.44 H new ATOM 0 HB3 ALA A 82 -14.004 3.656 0.021 1.00 30.44 H new ATOM 1163 N TRP A 83 -12.236 4.257 -2.150 1.00 42.13 N ATOM 1164 CA TRP A 83 -12.265 4.693 -3.560 1.00 74.24 C ATOM 1165 C TRP A 83 -10.918 4.380 -4.175 1.00 62.03 C ATOM 1166 O TRP A 83 -10.828 3.783 -5.245 1.00 41.55 O ATOM 1167 CB TRP A 83 -12.511 6.225 -3.718 1.00 20.41 C ATOM 1168 CG TRP A 83 -13.622 6.841 -2.926 1.00 44.20 C ATOM 1169 CD1 TRP A 83 -14.237 6.362 -1.823 1.00 61.32 C ATOM 1170 CD2 TRP A 83 -14.216 8.102 -3.189 1.00 34.51 C ATOM 1171 NE1 TRP A 83 -15.220 7.204 -1.424 1.00 2.24 N ATOM 1172 CE2 TRP A 83 -15.224 8.290 -2.244 1.00 31.22 C ATOM 1173 CE3 TRP A 83 -14.003 9.083 -4.153 1.00 61.51 C ATOM 1174 CZ2 TRP A 83 -16.018 9.414 -2.233 1.00 42.32 C ATOM 1175 CZ3 TRP A 83 -14.787 10.199 -4.137 1.00 22.02 C ATOM 1176 CH2 TRP A 83 -15.785 10.358 -3.188 1.00 45.41 C ATOM 0 H TRP A 83 -12.375 5.012 -1.478 1.00 42.13 H new ATOM 0 HA TRP A 83 -13.086 4.169 -4.049 1.00 74.24 H new ATOM 0 HB2 TRP A 83 -11.587 6.741 -3.456 1.00 20.41 H new ATOM 0 HB3 TRP A 83 -12.700 6.426 -4.772 1.00 20.41 H new ATOM 0 HD1 TRP A 83 -13.981 5.437 -1.328 1.00 61.32 H new ATOM 0 HE1 TRP A 83 -15.853 7.050 -0.639 1.00 2.24 H new ATOM 0 HE3 TRP A 83 -13.232 8.963 -4.899 1.00 61.51 H new ATOM 0 HZ2 TRP A 83 -16.796 9.543 -1.495 1.00 42.32 H new ATOM 0 HZ3 TRP A 83 -14.628 10.971 -4.875 1.00 22.02 H new ATOM 0 HH2 TRP A 83 -16.392 11.251 -3.206 1.00 45.41 H new ATOM 1187 N ASN A 84 -9.883 4.739 -3.428 1.00 31.03 N ATOM 1188 CA ASN A 84 -8.491 4.553 -3.818 1.00 35.53 C ATOM 1189 C ASN A 84 -8.206 3.070 -4.099 1.00 33.10 C ATOM 1190 O ASN A 84 -7.825 2.704 -5.212 1.00 22.43 O ATOM 1191 CB ASN A 84 -7.571 5.108 -2.699 1.00 25.33 C ATOM 1192 CG ASN A 84 -6.075 5.017 -2.999 1.00 63.51 C ATOM 1193 OD1 ASN A 84 -5.649 5.035 -4.148 1.00 12.25 O ATOM 1194 ND2 ASN A 84 -5.268 4.995 -1.960 1.00 14.50 N ATOM 0 H ASN A 84 -9.990 5.178 -2.513 1.00 31.03 H new ATOM 0 HA ASN A 84 -8.289 5.101 -4.738 1.00 35.53 H new ATOM 0 HB2 ASN A 84 -7.829 6.152 -2.520 1.00 25.33 H new ATOM 0 HB3 ASN A 84 -7.776 4.566 -1.776 1.00 25.33 H new ATOM 0 HD21 ASN A 84 -4.258 4.993 -2.099 1.00 14.50 H new ATOM 0 HD22 ASN A 84 -5.653 4.980 -1.016 1.00 14.50 H new ATOM 1201 N GLN A 85 -8.490 2.210 -3.119 1.00 65.10 N ATOM 1202 CA GLN A 85 -8.240 0.761 -3.248 1.00 65.54 C ATOM 1203 C GLN A 85 -9.051 0.141 -4.387 1.00 12.02 C ATOM 1204 O GLN A 85 -8.586 -0.793 -5.064 1.00 33.34 O ATOM 1205 CB GLN A 85 -8.530 0.038 -1.937 1.00 43.33 C ATOM 1206 CG GLN A 85 -7.632 0.471 -0.795 1.00 22.11 C ATOM 1207 CD GLN A 85 -7.995 -0.189 0.511 1.00 62.34 C ATOM 1208 OE1 GLN A 85 -7.498 -1.246 0.847 1.00 73.14 O ATOM 1209 NE2 GLN A 85 -8.867 0.438 1.252 1.00 1.44 N ATOM 0 H GLN A 85 -8.894 2.486 -2.224 1.00 65.10 H new ATOM 0 HA GLN A 85 -7.184 0.640 -3.488 1.00 65.54 H new ATOM 0 HB2 GLN A 85 -9.569 0.212 -1.658 1.00 43.33 H new ATOM 0 HB3 GLN A 85 -8.417 -1.035 -2.091 1.00 43.33 H new ATOM 0 HG2 GLN A 85 -6.597 0.234 -1.042 1.00 22.11 H new ATOM 0 HG3 GLN A 85 -7.693 1.553 -0.680 1.00 22.11 H new ATOM 0 HE21 GLN A 85 -9.262 1.324 0.936 1.00 1.44 H new ATOM 0 HE22 GLN A 85 -9.154 0.043 2.147 1.00 1.44 H new ATOM 1218 N LEU A 86 -10.243 0.670 -4.621 1.00 42.35 N ATOM 1219 CA LEU A 86 -11.090 0.198 -5.701 1.00 0.14 C ATOM 1220 C LEU A 86 -10.460 0.483 -7.066 1.00 12.12 C ATOM 1221 O LEU A 86 -10.654 -0.270 -8.020 1.00 63.24 O ATOM 1222 CB LEU A 86 -12.483 0.810 -5.605 1.00 30.02 C ATOM 1223 CG LEU A 86 -13.290 0.415 -4.361 1.00 13.12 C ATOM 1224 CD1 LEU A 86 -14.615 1.117 -4.350 1.00 23.12 C ATOM 1225 CD2 LEU A 86 -13.488 -1.092 -4.271 1.00 44.31 C ATOM 0 H LEU A 86 -10.645 1.430 -4.073 1.00 42.35 H new ATOM 0 HA LEU A 86 -11.187 -0.883 -5.600 1.00 0.14 H new ATOM 0 HB2 LEU A 86 -12.387 1.896 -5.626 1.00 30.02 H new ATOM 0 HB3 LEU A 86 -13.049 0.523 -6.491 1.00 30.02 H new ATOM 0 HG LEU A 86 -12.717 0.725 -3.487 1.00 13.12 H new ATOM 0 HD11 LEU A 86 -15.174 0.825 -3.461 1.00 23.12 H new ATOM 0 HD12 LEU A 86 -14.455 2.195 -4.341 1.00 23.12 H new ATOM 0 HD13 LEU A 86 -15.180 0.842 -5.240 1.00 23.12 H new ATOM 0 HD21 LEU A 86 -14.064 -1.331 -3.377 1.00 44.31 H new ATOM 0 HD22 LEU A 86 -14.025 -1.442 -5.153 1.00 44.31 H new ATOM 0 HD23 LEU A 86 -12.517 -1.584 -4.219 1.00 44.31 H new ATOM 1237 N MET A 87 -9.662 1.539 -7.138 1.00 63.11 N ATOM 1238 CA MET A 87 -8.987 1.917 -8.377 1.00 42.33 C ATOM 1239 C MET A 87 -7.738 1.070 -8.577 1.00 43.35 C ATOM 1240 O MET A 87 -7.344 0.811 -9.693 1.00 34.24 O ATOM 1241 CB MET A 87 -8.668 3.424 -8.400 1.00 1.52 C ATOM 1242 CG MET A 87 -9.922 4.264 -8.200 1.00 42.21 C ATOM 1243 SD MET A 87 -9.627 6.007 -7.864 1.00 0.31 S ATOM 1244 CE MET A 87 -9.182 6.676 -9.453 1.00 5.33 C ATOM 0 H MET A 87 -9.464 2.154 -6.349 1.00 63.11 H new ATOM 0 HA MET A 87 -9.660 1.723 -9.212 1.00 42.33 H new ATOM 0 HB2 MET A 87 -7.945 3.656 -7.618 1.00 1.52 H new ATOM 0 HB3 MET A 87 -8.203 3.684 -9.351 1.00 1.52 H new ATOM 0 HG2 MET A 87 -10.542 4.182 -9.093 1.00 42.21 H new ATOM 0 HG3 MET A 87 -10.495 3.843 -7.374 1.00 42.21 H new ATOM 0 HE1 MET A 87 -9.067 7.757 -9.373 1.00 5.33 H new ATOM 0 HE2 MET A 87 -8.242 6.235 -9.783 1.00 5.33 H new ATOM 0 HE3 MET A 87 -9.964 6.447 -10.176 1.00 5.33 H new ATOM 1254 N LEU A 88 -7.119 0.608 -7.494 1.00 70.02 N ATOM 1255 CA LEU A 88 -5.984 -0.318 -7.647 1.00 50.32 C ATOM 1256 C LEU A 88 -6.473 -1.685 -8.032 1.00 50.35 C ATOM 1257 O LEU A 88 -5.774 -2.443 -8.724 1.00 34.40 O ATOM 1258 CB LEU A 88 -5.071 -0.460 -6.410 1.00 22.13 C ATOM 1259 CG LEU A 88 -4.154 0.663 -6.031 1.00 11.00 C ATOM 1260 CD1 LEU A 88 -4.902 1.814 -5.443 1.00 51.04 C ATOM 1261 CD2 LEU A 88 -3.099 0.169 -5.089 1.00 54.43 C ATOM 0 H LEU A 88 -7.366 0.844 -6.533 1.00 70.02 H new ATOM 0 HA LEU A 88 -5.374 0.133 -8.430 1.00 50.32 H new ATOM 0 HB2 LEU A 88 -5.713 -0.659 -5.552 1.00 22.13 H new ATOM 0 HB3 LEU A 88 -4.455 -1.347 -6.560 1.00 22.13 H new ATOM 0 HG LEU A 88 -3.672 1.027 -6.939 1.00 11.00 H new ATOM 0 HD11 LEU A 88 -4.202 2.607 -5.181 1.00 51.04 H new ATOM 0 HD12 LEU A 88 -5.621 2.190 -6.170 1.00 51.04 H new ATOM 0 HD13 LEU A 88 -5.429 1.486 -4.547 1.00 51.04 H new ATOM 0 HD21 LEU A 88 -2.438 0.992 -4.819 1.00 54.43 H new ATOM 0 HD22 LEU A 88 -3.571 -0.227 -4.190 1.00 54.43 H new ATOM 0 HD23 LEU A 88 -2.520 -0.618 -5.572 1.00 54.43 H new ATOM 1273 N SER A 89 -7.637 -2.014 -7.584 1.00 74.33 N ATOM 1274 CA SER A 89 -8.194 -3.290 -7.878 1.00 33.31 C ATOM 1275 C SER A 89 -8.771 -3.318 -9.288 1.00 20.34 C ATOM 1276 O SER A 89 -8.495 -4.233 -10.047 1.00 4.23 O ATOM 1277 CB SER A 89 -9.258 -3.626 -6.841 1.00 14.34 C ATOM 1278 OG SER A 89 -8.702 -3.549 -5.536 1.00 72.41 O ATOM 0 H SER A 89 -8.225 -1.411 -7.008 1.00 74.33 H new ATOM 0 HA SER A 89 -7.408 -4.044 -7.834 1.00 33.31 H new ATOM 0 HB2 SER A 89 -10.096 -2.935 -6.930 1.00 14.34 H new ATOM 0 HB3 SER A 89 -9.650 -4.627 -7.020 1.00 14.34 H new ATOM 0 HG SER A 89 -8.631 -2.610 -5.265 1.00 72.41 H new ATOM 1284 N ARG A 90 -9.478 -2.263 -9.664 1.00 31.40 N ATOM 1285 CA ARG A 90 -10.175 -2.251 -10.935 1.00 72.15 C ATOM 1286 C ARG A 90 -9.810 -1.086 -11.794 1.00 73.41 C ATOM 1287 O ARG A 90 -10.680 -0.425 -12.366 1.00 3.13 O ATOM 1288 CB ARG A 90 -11.638 -2.227 -10.708 1.00 11.42 C ATOM 1289 CG ARG A 90 -12.161 -3.415 -9.992 1.00 63.35 C ATOM 1290 CD ARG A 90 -13.613 -3.261 -9.840 1.00 3.44 C ATOM 1291 NE ARG A 90 -13.954 -2.094 -9.009 1.00 60.12 N ATOM 1292 CZ ARG A 90 -14.832 -2.089 -8.000 1.00 52.04 C ATOM 1293 NH1 ARG A 90 -15.528 -3.169 -7.684 1.00 63.45 N1+ ATOM 1294 NH2 ARG A 90 -15.021 -1.002 -7.311 1.00 21.22 N ATOM 0 H ARG A 90 -9.582 -1.412 -9.111 1.00 31.40 H new ATOM 0 HA ARG A 90 -9.873 -3.158 -11.458 1.00 72.15 H new ATOM 0 HB2 ARG A 90 -11.891 -1.333 -10.139 1.00 11.42 H new ATOM 0 HB3 ARG A 90 -12.143 -2.146 -11.671 1.00 11.42 H new ATOM 0 HG2 ARG A 90 -11.932 -4.324 -10.548 1.00 63.35 H new ATOM 0 HG3 ARG A 90 -11.685 -3.510 -9.016 1.00 63.35 H new ATOM 0 HD2 ARG A 90 -14.072 -3.154 -10.823 1.00 3.44 H new ATOM 0 HD3 ARG A 90 -14.029 -4.162 -9.390 1.00 3.44 H new ATOM 0 HE ARG A 90 -13.481 -1.216 -9.221 1.00 60.12 H new ATOM 0 HH11 ARG A 90 -15.401 -4.031 -8.214 1.00 63.45 H new ATOM 0 HH12 ARG A 90 -16.192 -3.140 -6.910 1.00 63.45 H new ATOM 0 HH21 ARG A 90 -14.500 -0.156 -7.541 1.00 21.22 H new ATOM 0 HH22 ARG A 90 -15.690 -0.996 -6.541 1.00 21.22 H new ATOM 1308 N SER A 91 -8.565 -0.773 -11.828 1.00 40.30 N ATOM 1309 CA SER A 91 -8.109 0.173 -12.834 1.00 72.02 C ATOM 1310 C SER A 91 -8.390 -0.390 -14.263 1.00 0.51 C ATOM 1311 O SER A 91 -8.957 0.317 -15.080 1.00 20.14 O ATOM 1312 CB SER A 91 -6.641 0.609 -12.633 1.00 0.33 C ATOM 1313 OG SER A 91 -6.209 1.499 -13.645 1.00 32.32 O ATOM 0 H SER A 91 -7.847 -1.134 -11.200 1.00 40.30 H new ATOM 0 HA SER A 91 -8.685 1.091 -12.716 1.00 72.02 H new ATOM 0 HB2 SER A 91 -6.535 1.088 -11.660 1.00 0.33 H new ATOM 0 HB3 SER A 91 -5.999 -0.272 -12.626 1.00 0.33 H new ATOM 0 HG SER A 91 -5.272 1.315 -13.864 1.00 32.32 H new ATOM 1319 N PRO A 92 -7.964 -1.646 -14.605 1.00 40.15 N ATOM 1320 CA PRO A 92 -8.365 -2.274 -15.839 1.00 13.44 C ATOM 1321 C PRO A 92 -9.357 -3.442 -15.590 1.00 0.22 C ATOM 1322 O PRO A 92 -9.015 -4.445 -14.938 1.00 34.12 O ATOM 1323 CB PRO A 92 -7.019 -2.825 -16.348 1.00 71.15 C ATOM 1324 CG PRO A 92 -6.152 -2.972 -15.109 1.00 44.24 C ATOM 1325 CD PRO A 92 -6.987 -2.494 -13.937 1.00 51.24 C ATOM 0 HA PRO A 92 -8.878 -1.600 -16.525 1.00 13.44 H new ATOM 0 HB2 PRO A 92 -7.151 -3.783 -16.852 1.00 71.15 H new ATOM 0 HB3 PRO A 92 -6.563 -2.146 -17.069 1.00 71.15 H new ATOM 0 HG2 PRO A 92 -5.847 -4.009 -14.970 1.00 44.24 H new ATOM 0 HG3 PRO A 92 -5.240 -2.382 -15.202 1.00 44.24 H new ATOM 0 HD2 PRO A 92 -7.457 -3.320 -13.404 1.00 51.24 H new ATOM 0 HD3 PRO A 92 -6.394 -1.941 -13.209 1.00 51.24 H new ATOM 1333 N GLU A 93 -10.540 -3.309 -16.105 1.00 73.33 N ATOM 1334 CA GLU A 93 -11.551 -4.315 -16.017 1.00 54.32 C ATOM 1335 C GLU A 93 -12.508 -4.015 -17.150 1.00 71.00 C ATOM 1336 O GLU A 93 -12.547 -4.772 -18.117 1.00 2.42 O ATOM 1337 CB GLU A 93 -12.292 -4.267 -14.651 1.00 55.04 C ATOM 1338 CG GLU A 93 -13.254 -5.443 -14.426 1.00 54.13 C ATOM 1339 CD GLU A 93 -14.191 -5.259 -13.230 1.00 5.54 C ATOM 1340 OE1 GLU A 93 -15.396 -4.903 -13.455 1.00 71.24 O ATOM 1341 OE2 GLU A 93 -13.759 -5.443 -12.081 1.00 45.11 O1- ATOM 1342 OXT GLU A 93 -13.141 -2.920 -17.100 1.00 38.05 O1- ATOM 0 H GLU A 93 -10.836 -2.475 -16.612 1.00 73.33 H new ATOM 0 HA GLU A 93 -11.121 -5.314 -16.090 1.00 54.32 H new ATOM 0 HB2 GLU A 93 -11.555 -4.254 -13.848 1.00 55.04 H new ATOM 0 HB3 GLU A 93 -12.852 -3.334 -14.584 1.00 55.04 H new ATOM 0 HG2 GLU A 93 -13.853 -5.587 -15.325 1.00 54.13 H new ATOM 0 HG3 GLU A 93 -12.672 -6.353 -14.282 1.00 54.13 H new TER 1349 GLU A 93