USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 694 hydrogens (29 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 56 MET CE :methyl 136:sc= -1.44 (180deg=-3.82) USER MOD Set 1.2: A 75 TYR OH : rot -11:sc= -0.399 USER MOD Set 2.1: A 44 ASN : amide:sc= -2.23! C(o=-2.7!,f=-6.7!) USER MOD Set 2.2: A 47 GLN : amide:sc= -0.444 K(o=-2.7,f=-6.7) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.87 K(o=3.5,f=1.2!) USER MOD Set 3.2: A 64 LYS NZ :NH3+ -174:sc= 2.38 (180deg=1.14) USER MOD Set 3.3: A 65 ASN : amide:sc= 2.02 K(o=3.5,f=-9.7!) USER MOD Single : A 15 ASN : amide:sc= 0.943 K(o=0.94,f=-4.4!) USER MOD Single : A 21 TYR OH : rot 45:sc= 0.351 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0536 F(o=-2!,f=-0.054) USER MOD Single : A 23 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.11) USER MOD Single : A 30 GLN : amide:sc= -1.8! X(o=-1.8!,f=-1.4) USER MOD Single : A 33 ASN : amide:sc= -0.0421 X(o=-0.042,f=-0.14) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 37 GLN : amide:sc= -1.6 K(o=-1.6,f=-6.2!) USER MOD Single : A 38 GLN : amide:sc= 0.158 X(o=0.16,f=-0.093) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 43 SER OG : rot 83:sc= 1.16 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 54:sc= 0.873 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 85 GLN : amide:sc= 0.192 X(o=0.19,f=-0.061) USER MOD Single : A 87 MET CE :methyl -163:sc= -0.51 (180deg=-1.14) USER MOD Single : A 89 SER OG : rot 165:sc= 1.24 USER MOD Single : A 91 SER OG : rot -20:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 9.526 11.978 -5.338 1.00 75.45 N ATOM 2 CA ASP A 14 9.012 10.760 -5.975 1.00 2.54 C ATOM 3 C ASP A 14 9.131 9.604 -5.037 1.00 0.35 C ATOM 4 O ASP A 14 10.078 9.569 -4.270 1.00 21.45 O ATOM 5 CB ASP A 14 9.812 10.439 -7.252 1.00 43.21 C ATOM 6 CG ASP A 14 9.622 8.994 -7.691 1.00 42.31 C ATOM 7 OD1 ASP A 14 8.487 8.584 -7.876 1.00 52.41 O ATOM 8 OD2 ASP A 14 10.607 8.246 -7.751 1.00 63.35 O ATOM 0 HA ASP A 14 7.966 10.928 -6.232 1.00 2.54 H new ATOM 0 HB2 ASP A 14 9.499 11.107 -8.055 1.00 43.21 H new ATOM 0 HB3 ASP A 14 10.871 10.629 -7.075 1.00 43.21 H new ATOM 13 N ASN A 15 8.130 8.714 -5.038 1.00 62.21 N ATOM 14 CA ASN A 15 8.265 7.413 -4.362 1.00 34.41 C ATOM 15 C ASN A 15 7.194 6.459 -4.852 1.00 52.12 C ATOM 16 O ASN A 15 6.861 5.463 -4.247 1.00 44.50 O ATOM 17 CB ASN A 15 8.363 7.505 -2.828 1.00 73.02 C ATOM 18 CG ASN A 15 8.880 6.226 -2.171 1.00 42.33 C ATOM 19 OD1 ASN A 15 9.668 5.485 -2.760 1.00 51.24 O ATOM 20 ND2 ASN A 15 8.461 5.980 -0.956 1.00 23.22 N ATOM 0 H ASN A 15 7.229 8.865 -5.492 1.00 62.21 H new ATOM 0 HA ASN A 15 9.233 6.999 -4.644 1.00 34.41 H new ATOM 0 HB2 ASN A 15 9.022 8.332 -2.563 1.00 73.02 H new ATOM 0 HB3 ASN A 15 7.379 7.740 -2.423 1.00 73.02 H new ATOM 0 HD21 ASN A 15 8.788 5.149 -0.462 1.00 23.22 H new ATOM 0 HD22 ASN A 15 7.808 6.619 -0.503 1.00 23.22 H new ATOM 27 N ARG A 16 6.748 6.760 -6.007 1.00 24.24 N ATOM 28 CA ARG A 16 5.741 5.991 -6.704 1.00 55.15 C ATOM 29 C ARG A 16 6.397 4.867 -7.505 1.00 11.10 C ATOM 30 O ARG A 16 5.733 4.039 -8.111 1.00 62.33 O ATOM 31 CB ARG A 16 4.924 6.939 -7.584 1.00 12.00 C ATOM 32 CG ARG A 16 5.781 7.837 -8.465 1.00 73.13 C ATOM 33 CD ARG A 16 6.263 7.142 -9.747 1.00 0.33 C ATOM 34 NE ARG A 16 5.140 6.671 -10.584 1.00 14.14 N ATOM 35 CZ ARG A 16 5.140 5.534 -11.315 1.00 24.41 C ATOM 36 NH1 ARG A 16 6.193 4.704 -11.279 1.00 62.22 N ATOM 37 NH2 ARG A 16 4.073 5.224 -12.066 1.00 53.21 N ATOM 0 H ARG A 16 7.071 7.573 -6.531 1.00 24.24 H new ATOM 0 HA ARG A 16 5.063 5.514 -5.996 1.00 55.15 H new ATOM 0 HB2 ARG A 16 4.258 6.352 -8.216 1.00 12.00 H new ATOM 0 HB3 ARG A 16 4.294 7.561 -6.948 1.00 12.00 H new ATOM 0 HG2 ARG A 16 5.209 8.725 -8.734 1.00 73.13 H new ATOM 0 HG3 ARG A 16 6.646 8.176 -7.895 1.00 73.13 H new ATOM 0 HD2 ARG A 16 6.878 7.833 -10.323 1.00 0.33 H new ATOM 0 HD3 ARG A 16 6.897 6.295 -9.483 1.00 0.33 H new ATOM 0 HE ARG A 16 4.300 7.249 -10.612 1.00 14.14 H new ATOM 0 HH11 ARG A 16 7.000 4.929 -10.698 1.00 62.22 H new ATOM 0 HH12 ARG A 16 6.187 3.848 -11.833 1.00 62.22 H new ATOM 0 HH21 ARG A 16 3.264 5.846 -12.085 1.00 53.21 H new ATOM 0 HH22 ARG A 16 4.070 4.367 -12.619 1.00 53.21 H new ATOM 51 N HIS A 17 7.715 4.899 -7.535 1.00 1.44 N ATOM 52 CA HIS A 17 8.500 4.006 -8.322 1.00 24.32 C ATOM 53 C HIS A 17 8.648 2.684 -7.626 1.00 31.20 C ATOM 54 O HIS A 17 8.850 1.743 -8.288 1.00 53.41 O ATOM 55 CB HIS A 17 9.875 4.628 -8.662 1.00 43.21 C ATOM 56 CG HIS A 17 10.698 3.890 -9.721 1.00 60.23 C ATOM 57 ND1 HIS A 17 11.991 3.465 -9.530 1.00 0.30 N ATOM 58 CD2 HIS A 17 10.421 3.616 -11.025 1.00 20.13 C ATOM 59 CE1 HIS A 17 12.461 2.992 -10.679 1.00 31.02 C ATOM 60 NE2 HIS A 17 11.552 3.059 -11.631 1.00 24.34 N ATOM 0 H HIS A 17 8.269 5.565 -6.997 1.00 1.44 H new ATOM 0 HA HIS A 17 7.982 3.831 -9.265 1.00 24.32 H new ATOM 0 HB2 HIS A 17 9.715 5.651 -9.002 1.00 43.21 H new ATOM 0 HB3 HIS A 17 10.463 4.684 -7.746 1.00 43.21 H new ATOM 0 HD2 HIS A 17 9.476 3.800 -11.515 1.00 20.13 H new ATOM 0 HE1 HIS A 17 13.459 2.603 -10.815 1.00 31.02 H new ATOM 0 HE2 HIS A 17 11.652 2.767 -12.603 1.00 24.34 H new ATOM 68 N ALA A 18 8.418 2.653 -6.276 1.00 1.52 N ATOM 69 CA ALA A 18 8.633 1.462 -5.355 1.00 35.13 C ATOM 70 C ALA A 18 8.106 0.102 -5.873 1.00 23.55 C ATOM 71 O ALA A 18 8.447 -0.956 -5.335 1.00 41.01 O ATOM 72 CB ALA A 18 8.092 1.755 -3.971 1.00 33.45 C ATOM 0 H ALA A 18 8.069 3.470 -5.775 1.00 1.52 H new ATOM 0 HA ALA A 18 9.715 1.336 -5.321 1.00 35.13 H new ATOM 0 HB1 ALA A 18 8.255 0.891 -3.326 1.00 33.45 H new ATOM 0 HB2 ALA A 18 8.607 2.621 -3.555 1.00 33.45 H new ATOM 0 HB3 ALA A 18 7.024 1.964 -4.035 1.00 33.45 H new ATOM 78 N ALA A 19 7.252 0.131 -6.880 1.00 51.04 N ATOM 79 CA ALA A 19 6.837 -1.076 -7.577 1.00 32.30 C ATOM 80 C ALA A 19 8.062 -1.679 -8.311 1.00 61.42 C ATOM 81 O ALA A 19 8.076 -2.867 -8.680 1.00 61.53 O ATOM 82 CB ALA A 19 5.725 -0.758 -8.566 1.00 13.05 C ATOM 0 H ALA A 19 6.827 0.987 -7.238 1.00 51.04 H new ATOM 0 HA ALA A 19 6.453 -1.800 -6.859 1.00 32.30 H new ATOM 0 HB1 ALA A 19 5.424 -1.670 -9.081 1.00 13.05 H new ATOM 0 HB2 ALA A 19 4.870 -0.344 -8.031 1.00 13.05 H new ATOM 0 HB3 ALA A 19 6.083 -0.031 -9.295 1.00 13.05 H new ATOM 88 N ASP A 20 9.072 -0.827 -8.513 1.00 50.02 N ATOM 89 CA ASP A 20 10.354 -1.162 -9.123 1.00 74.44 C ATOM 90 C ASP A 20 11.006 -2.339 -8.398 1.00 2.42 C ATOM 91 O ASP A 20 11.514 -3.252 -9.020 1.00 71.30 O ATOM 92 CB ASP A 20 11.321 0.071 -9.150 1.00 21.34 C ATOM 93 CG ASP A 20 11.668 0.691 -7.785 1.00 14.53 C ATOM 94 OD1 ASP A 20 11.050 0.336 -6.782 1.00 21.24 O ATOM 95 OD2 ASP A 20 12.545 1.588 -7.727 1.00 0.01 O ATOM 0 H ASP A 20 9.012 0.155 -8.243 1.00 50.02 H new ATOM 0 HA ASP A 20 10.160 -1.453 -10.155 1.00 74.44 H new ATOM 0 HB2 ASP A 20 12.249 -0.232 -9.635 1.00 21.34 H new ATOM 0 HB3 ASP A 20 10.873 0.844 -9.774 1.00 21.34 H new ATOM 100 N TYR A 21 10.944 -2.310 -7.079 1.00 23.32 N ATOM 101 CA TYR A 21 11.420 -3.376 -6.198 1.00 41.34 C ATOM 102 C TYR A 21 10.833 -4.736 -6.593 1.00 23.44 C ATOM 103 O TYR A 21 11.534 -5.748 -6.582 1.00 45.42 O ATOM 104 CB TYR A 21 11.046 -3.019 -4.759 1.00 31.03 C ATOM 105 CG TYR A 21 11.433 -4.058 -3.760 1.00 71.44 C ATOM 106 CD1 TYR A 21 12.761 -4.337 -3.520 1.00 41.53 C ATOM 107 CD2 TYR A 21 10.468 -4.776 -3.071 1.00 61.25 C ATOM 108 CE1 TYR A 21 13.125 -5.297 -2.624 1.00 71.42 C ATOM 109 CE2 TYR A 21 10.822 -5.742 -2.167 1.00 20.31 C ATOM 110 CZ TYR A 21 12.150 -6.001 -1.945 1.00 74.20 C ATOM 111 OH TYR A 21 12.506 -6.956 -1.045 1.00 35.30 O ATOM 0 H TYR A 21 10.549 -1.520 -6.569 1.00 23.32 H new ATOM 0 HA TYR A 21 12.503 -3.461 -6.290 1.00 41.34 H new ATOM 0 HB2 TYR A 21 11.524 -2.076 -4.493 1.00 31.03 H new ATOM 0 HB3 TYR A 21 9.969 -2.858 -4.703 1.00 31.03 H new ATOM 0 HD1 TYR A 21 13.524 -3.787 -4.050 1.00 41.53 H new ATOM 0 HD2 TYR A 21 9.423 -4.571 -3.249 1.00 61.25 H new ATOM 0 HE1 TYR A 21 14.170 -5.506 -2.446 1.00 71.42 H new ATOM 0 HE2 TYR A 21 10.062 -6.295 -1.634 1.00 20.31 H new ATOM 0 HH TYR A 21 13.223 -6.614 -0.472 1.00 35.30 H new ATOM 121 N GLN A 22 9.573 -4.754 -6.972 1.00 25.43 N ATOM 122 CA GLN A 22 8.931 -5.989 -7.413 1.00 11.32 C ATOM 123 C GLN A 22 9.496 -6.434 -8.747 1.00 55.21 C ATOM 124 O GLN A 22 9.775 -7.596 -8.944 1.00 63.15 O ATOM 125 CB GLN A 22 7.409 -5.836 -7.469 1.00 74.32 C ATOM 126 CG GLN A 22 6.765 -5.760 -6.093 1.00 74.25 C ATOM 127 CD GLN A 22 6.546 -7.129 -5.422 1.00 62.43 C ATOM 128 OE1 GLN A 22 7.261 -8.162 -5.834 1.00 14.23 O flip ATOM 129 NE2 GLN A 22 5.659 -7.268 -4.597 1.00 15.03 N flip ATOM 0 H GLN A 22 8.968 -3.933 -6.986 1.00 25.43 H new ATOM 0 HA GLN A 22 9.148 -6.766 -6.680 1.00 11.32 H new ATOM 0 HB2 GLN A 22 7.161 -4.935 -8.030 1.00 74.32 H new ATOM 0 HB3 GLN A 22 6.985 -6.678 -8.016 1.00 74.32 H new ATOM 0 HG2 GLN A 22 7.390 -5.146 -5.445 1.00 74.25 H new ATOM 0 HG3 GLN A 22 5.804 -5.253 -6.181 1.00 74.25 H new ATOM 0 HE21 GLN A 22 5.117 -6.460 -4.290 1.00 15.03 H new ATOM 0 HE22 GLN A 22 5.459 -8.192 -4.214 1.00 15.03 H new ATOM 138 N GLN A 23 9.724 -5.484 -9.631 1.00 41.54 N ATOM 139 CA GLN A 23 10.298 -5.787 -10.937 1.00 72.02 C ATOM 140 C GLN A 23 11.742 -6.255 -10.776 1.00 52.23 C ATOM 141 O GLN A 23 12.209 -7.112 -11.511 1.00 50.42 O ATOM 142 CB GLN A 23 10.223 -4.572 -11.860 1.00 55.43 C ATOM 143 CG GLN A 23 8.804 -4.101 -12.153 1.00 61.22 C ATOM 144 CD GLN A 23 7.958 -5.175 -12.815 1.00 51.42 C ATOM 145 OE1 GLN A 23 7.924 -5.290 -14.025 1.00 62.01 O ATOM 146 NE2 GLN A 23 7.266 -5.961 -12.023 1.00 1.02 N ATOM 0 H GLN A 23 9.523 -4.496 -9.475 1.00 41.54 H new ATOM 0 HA GLN A 23 9.718 -6.589 -11.394 1.00 72.02 H new ATOM 0 HB2 GLN A 23 10.781 -3.751 -11.409 1.00 55.43 H new ATOM 0 HB3 GLN A 23 10.716 -4.813 -12.802 1.00 55.43 H new ATOM 0 HG2 GLN A 23 8.328 -3.791 -11.222 1.00 61.22 H new ATOM 0 HG3 GLN A 23 8.842 -3.224 -12.799 1.00 61.22 H new ATOM 0 HE21 GLN A 23 7.316 -5.838 -11.012 1.00 1.02 H new ATOM 0 HE22 GLN A 23 6.678 -6.694 -12.419 1.00 1.02 H new ATOM 155 N LEU A 24 12.420 -5.675 -9.799 1.00 64.32 N ATOM 156 CA LEU A 24 13.781 -6.025 -9.436 1.00 62.45 C ATOM 157 C LEU A 24 13.805 -7.510 -9.038 1.00 5.13 C ATOM 158 O LEU A 24 14.564 -8.302 -9.613 1.00 44.40 O ATOM 159 CB LEU A 24 14.218 -5.113 -8.246 1.00 31.41 C ATOM 160 CG LEU A 24 15.721 -4.998 -7.879 1.00 12.21 C ATOM 161 CD1 LEU A 24 15.889 -4.013 -6.740 1.00 5.10 C ATOM 162 CD2 LEU A 24 16.330 -6.329 -7.477 1.00 54.02 C ATOM 0 H LEU A 24 12.028 -4.930 -9.223 1.00 64.32 H new ATOM 0 HA LEU A 24 14.472 -5.874 -10.265 1.00 62.45 H new ATOM 0 HB2 LEU A 24 13.856 -4.107 -8.457 1.00 31.41 H new ATOM 0 HB3 LEU A 24 13.691 -5.462 -7.358 1.00 31.41 H new ATOM 0 HG LEU A 24 16.244 -4.654 -8.771 1.00 12.21 H new ATOM 0 HD11 LEU A 24 16.945 -3.932 -6.482 1.00 5.10 H new ATOM 0 HD12 LEU A 24 15.514 -3.036 -7.045 1.00 5.10 H new ATOM 0 HD13 LEU A 24 15.329 -4.361 -5.872 1.00 5.10 H new ATOM 0 HD21 LEU A 24 17.383 -6.188 -7.231 1.00 54.02 H new ATOM 0 HD22 LEU A 24 15.804 -6.722 -6.607 1.00 54.02 H new ATOM 0 HD23 LEU A 24 16.242 -7.034 -8.304 1.00 54.02 H new ATOM 174 N ARG A 25 12.936 -7.868 -8.082 1.00 72.40 N ATOM 175 CA ARG A 25 12.827 -9.243 -7.580 1.00 44.54 C ATOM 176 C ARG A 25 12.518 -10.206 -8.719 1.00 54.24 C ATOM 177 O ARG A 25 13.342 -11.056 -9.076 1.00 12.32 O ATOM 178 CB ARG A 25 11.701 -9.374 -6.540 1.00 64.24 C ATOM 179 CG ARG A 25 11.860 -8.576 -5.255 1.00 3.14 C ATOM 180 CD ARG A 25 10.686 -8.805 -4.306 1.00 72.24 C ATOM 181 NE ARG A 25 10.644 -10.181 -3.785 1.00 5.33 N ATOM 182 CZ ARG A 25 9.889 -11.174 -4.266 1.00 72.24 C ATOM 183 NH1 ARG A 25 9.195 -11.006 -5.377 1.00 70.12 N ATOM 184 NH2 ARG A 25 9.887 -12.345 -3.673 1.00 61.10 N ATOM 0 H ARG A 25 12.292 -7.214 -7.637 1.00 72.40 H new ATOM 0 HA ARG A 25 13.784 -9.487 -7.120 1.00 44.54 H new ATOM 0 HB2 ARG A 25 10.765 -9.075 -7.012 1.00 64.24 H new ATOM 0 HB3 ARG A 25 11.603 -10.427 -6.276 1.00 64.24 H new ATOM 0 HG2 ARG A 25 12.789 -8.860 -4.761 1.00 3.14 H new ATOM 0 HG3 ARG A 25 11.937 -7.515 -5.491 1.00 3.14 H new ATOM 0 HD2 ARG A 25 10.755 -8.106 -3.472 1.00 72.24 H new ATOM 0 HD3 ARG A 25 9.754 -8.588 -4.827 1.00 72.24 H new ATOM 0 HE ARG A 25 11.243 -10.396 -2.988 1.00 5.33 H new ATOM 0 HH11 ARG A 25 9.233 -10.115 -5.873 1.00 70.12 H new ATOM 0 HH12 ARG A 25 8.621 -11.767 -5.740 1.00 70.12 H new ATOM 0 HH21 ARG A 25 10.462 -12.498 -2.844 1.00 61.10 H new ATOM 0 HH22 ARG A 25 9.311 -13.102 -4.041 1.00 61.10 H new ATOM 198 N GLU A 26 11.352 -10.018 -9.313 1.00 24.05 N ATOM 199 CA GLU A 26 10.832 -10.873 -10.361 1.00 63.04 C ATOM 200 C GLU A 26 11.723 -10.975 -11.605 1.00 12.52 C ATOM 201 O GLU A 26 11.669 -11.975 -12.316 1.00 12.40 O ATOM 202 CB GLU A 26 9.417 -10.468 -10.724 1.00 12.31 C ATOM 203 CG GLU A 26 8.337 -11.140 -9.873 1.00 2.13 C ATOM 204 CD GLU A 26 8.540 -11.050 -8.365 1.00 11.41 C ATOM 205 OE1 GLU A 26 8.533 -9.917 -7.792 1.00 4.53 O ATOM 206 OE2 GLU A 26 8.677 -12.117 -7.717 1.00 23.01 O ATOM 0 H GLU A 26 10.728 -9.248 -9.073 1.00 24.05 H new ATOM 0 HA GLU A 26 10.824 -11.880 -9.944 1.00 63.04 H new ATOM 0 HB2 GLU A 26 9.323 -9.387 -10.624 1.00 12.31 H new ATOM 0 HB3 GLU A 26 9.240 -10.707 -11.772 1.00 12.31 H new ATOM 0 HG2 GLU A 26 7.374 -10.693 -10.120 1.00 2.13 H new ATOM 0 HG3 GLU A 26 8.281 -12.192 -10.152 1.00 2.13 H new ATOM 213 N ARG A 27 12.531 -9.957 -11.896 1.00 51.31 N ATOM 214 CA ARG A 27 13.446 -10.062 -12.993 1.00 63.31 C ATOM 215 C ARG A 27 14.618 -10.940 -12.636 1.00 24.44 C ATOM 216 O ARG A 27 15.108 -11.708 -13.467 1.00 72.40 O ATOM 217 CB ARG A 27 13.936 -8.716 -13.494 1.00 61.05 C ATOM 218 CG ARG A 27 15.029 -8.921 -14.485 1.00 44.00 C ATOM 219 CD ARG A 27 15.406 -7.714 -15.238 1.00 12.53 C ATOM 220 NE ARG A 27 16.563 -8.019 -16.092 1.00 75.23 N ATOM 221 CZ ARG A 27 16.844 -7.452 -17.263 1.00 34.12 C ATOM 222 NH1 ARG A 27 16.084 -6.452 -17.730 1.00 14.03 N ATOM 223 NH2 ARG A 27 17.886 -7.889 -17.971 1.00 52.42 N ATOM 0 H ARG A 27 12.560 -9.072 -11.389 1.00 51.31 H new ATOM 0 HA ARG A 27 12.886 -10.520 -13.808 1.00 63.31 H new ATOM 0 HB2 ARG A 27 13.114 -8.166 -13.952 1.00 61.05 H new ATOM 0 HB3 ARG A 27 14.296 -8.115 -12.659 1.00 61.05 H new ATOM 0 HG2 ARG A 27 15.909 -9.298 -13.963 1.00 44.00 H new ATOM 0 HG3 ARG A 27 14.722 -9.693 -15.191 1.00 44.00 H new ATOM 0 HD2 ARG A 27 14.568 -7.375 -15.847 1.00 12.53 H new ATOM 0 HD3 ARG A 27 15.649 -6.903 -14.551 1.00 12.53 H new ATOM 0 HE ARG A 27 17.211 -8.732 -15.756 1.00 75.23 H new ATOM 0 HH11 ARG A 27 15.286 -6.122 -17.187 1.00 14.03 H new ATOM 0 HH12 ARG A 27 16.304 -6.021 -18.628 1.00 14.03 H new ATOM 0 HH21 ARG A 27 18.461 -8.652 -17.614 1.00 52.42 H new ATOM 0 HH22 ARG A 27 18.108 -7.460 -18.869 1.00 52.42 H new ATOM 237 N LEU A 28 15.035 -10.890 -11.399 1.00 51.13 N ATOM 238 CA LEU A 28 16.177 -11.651 -11.008 1.00 21.04 C ATOM 239 C LEU A 28 15.865 -13.095 -11.026 1.00 1.33 C ATOM 240 O LEU A 28 16.667 -13.867 -11.397 1.00 73.42 O ATOM 241 CB LEU A 28 16.783 -11.178 -9.690 1.00 61.30 C ATOM 242 CG LEU A 28 17.497 -9.831 -9.780 1.00 30.42 C ATOM 243 CD1 LEU A 28 18.060 -9.402 -8.440 1.00 55.14 C ATOM 244 CD2 LEU A 28 18.597 -9.894 -10.836 1.00 10.10 C ATOM 0 H LEU A 28 14.604 -10.337 -10.658 1.00 51.13 H new ATOM 0 HA LEU A 28 16.961 -11.480 -11.745 1.00 21.04 H new ATOM 0 HB2 LEU A 28 15.992 -11.109 -8.943 1.00 61.30 H new ATOM 0 HB3 LEU A 28 17.490 -11.929 -9.337 1.00 61.30 H new ATOM 0 HG LEU A 28 16.764 -9.080 -10.075 1.00 30.42 H new ATOM 0 HD11 LEU A 28 18.560 -8.439 -8.547 1.00 55.14 H new ATOM 0 HD12 LEU A 28 17.249 -9.312 -7.717 1.00 55.14 H new ATOM 0 HD13 LEU A 28 18.776 -10.146 -8.091 1.00 55.14 H new ATOM 0 HD21 LEU A 28 19.101 -8.929 -10.894 1.00 10.10 H new ATOM 0 HD22 LEU A 28 19.318 -10.665 -10.565 1.00 10.10 H new ATOM 0 HD23 LEU A 28 18.158 -10.133 -11.805 1.00 10.10 H new ATOM 256 N ILE A 29 14.638 -13.413 -10.751 1.00 55.22 N ATOM 257 CA ILE A 29 14.133 -14.787 -10.771 1.00 54.30 C ATOM 258 C ILE A 29 14.357 -15.432 -12.150 1.00 72.11 C ATOM 259 O ILE A 29 14.630 -16.623 -12.265 1.00 53.10 O ATOM 260 CB ILE A 29 12.620 -14.770 -10.427 1.00 74.31 C ATOM 261 CG1 ILE A 29 12.418 -14.048 -9.109 1.00 51.42 C ATOM 262 CG2 ILE A 29 12.042 -16.157 -10.344 1.00 43.41 C ATOM 263 CD1 ILE A 29 13.294 -14.579 -8.002 1.00 71.51 C ATOM 0 H ILE A 29 13.930 -12.724 -10.499 1.00 55.22 H new ATOM 0 HA ILE A 29 14.674 -15.379 -10.033 1.00 54.30 H new ATOM 0 HB ILE A 29 12.097 -14.249 -11.229 1.00 74.31 H new ATOM 0 HG12 ILE A 29 12.623 -12.986 -9.248 1.00 51.42 H new ATOM 0 HG13 ILE A 29 11.373 -14.135 -8.811 1.00 51.42 H new ATOM 0 HG21 ILE A 29 10.981 -16.095 -10.101 1.00 43.41 H new ATOM 0 HG22 ILE A 29 12.166 -16.661 -11.303 1.00 43.41 H new ATOM 0 HG23 ILE A 29 12.560 -16.721 -9.568 1.00 43.41 H new ATOM 0 HD11 ILE A 29 13.101 -14.020 -7.086 1.00 71.51 H new ATOM 0 HD12 ILE A 29 13.073 -15.634 -7.837 1.00 71.51 H new ATOM 0 HD13 ILE A 29 14.342 -14.467 -8.282 1.00 71.51 H new ATOM 275 N GLN A 30 14.324 -14.606 -13.162 1.00 63.55 N ATOM 276 CA GLN A 30 14.481 -15.033 -14.535 1.00 54.35 C ATOM 277 C GLN A 30 15.951 -15.328 -14.807 1.00 65.14 C ATOM 278 O GLN A 30 16.293 -16.311 -15.458 1.00 0.32 O ATOM 279 CB GLN A 30 13.998 -13.911 -15.447 1.00 14.11 C ATOM 280 CG GLN A 30 12.670 -13.343 -14.999 1.00 21.33 C ATOM 281 CD GLN A 30 12.159 -12.212 -15.861 1.00 3.32 C ATOM 282 OE1 GLN A 30 12.432 -12.132 -17.047 1.00 63.02 O ATOM 283 NE2 GLN A 30 11.403 -11.329 -15.261 1.00 3.32 N ATOM 0 H GLN A 30 14.185 -13.601 -13.058 1.00 63.55 H new ATOM 0 HA GLN A 30 13.900 -15.936 -14.721 1.00 54.35 H new ATOM 0 HB2 GLN A 30 14.743 -13.116 -15.468 1.00 14.11 H new ATOM 0 HB3 GLN A 30 13.905 -14.287 -16.466 1.00 14.11 H new ATOM 0 HG2 GLN A 30 11.929 -14.143 -14.991 1.00 21.33 H new ATOM 0 HG3 GLN A 30 12.767 -12.988 -13.973 1.00 21.33 H new ATOM 0 HE21 GLN A 30 11.195 -11.427 -14.267 1.00 3.32 H new ATOM 0 HE22 GLN A 30 11.022 -10.543 -15.787 1.00 3.32 H new ATOM 292 N GLU A 31 16.809 -14.486 -14.263 1.00 73.31 N ATOM 293 CA GLU A 31 18.250 -14.602 -14.460 1.00 51.20 C ATOM 294 C GLU A 31 18.870 -15.587 -13.474 1.00 14.31 C ATOM 295 O GLU A 31 19.916 -16.164 -13.740 1.00 22.33 O ATOM 296 CB GLU A 31 18.914 -13.217 -14.355 1.00 23.20 C ATOM 297 CG GLU A 31 18.331 -12.240 -15.356 1.00 43.10 C ATOM 298 CD GLU A 31 18.958 -10.860 -15.355 1.00 55.33 C ATOM 299 OE1 GLU A 31 20.128 -10.696 -15.780 1.00 34.31 O ATOM 300 OE2 GLU A 31 18.282 -9.886 -14.984 1.00 34.32 O ATOM 0 H GLU A 31 16.532 -13.702 -13.672 1.00 73.31 H new ATOM 0 HA GLU A 31 18.427 -14.995 -15.461 1.00 51.20 H new ATOM 0 HB2 GLU A 31 18.783 -12.826 -13.346 1.00 23.20 H new ATOM 0 HB3 GLU A 31 19.987 -13.314 -14.523 1.00 23.20 H new ATOM 0 HG2 GLU A 31 18.431 -12.666 -16.355 1.00 43.10 H new ATOM 0 HG3 GLU A 31 17.264 -12.136 -15.159 1.00 43.10 H new ATOM 307 N LEU A 32 18.216 -15.768 -12.336 1.00 11.15 N ATOM 308 CA LEU A 32 18.685 -16.674 -11.327 1.00 32.43 C ATOM 309 C LEU A 32 18.215 -18.087 -11.627 1.00 13.35 C ATOM 310 O LEU A 32 18.770 -19.055 -11.120 1.00 1.22 O ATOM 311 CB LEU A 32 18.198 -16.225 -9.937 1.00 4.22 C ATOM 312 CG LEU A 32 18.592 -14.818 -9.526 1.00 40.11 C ATOM 313 CD1 LEU A 32 18.218 -14.509 -8.098 1.00 1.31 C ATOM 314 CD2 LEU A 32 20.037 -14.493 -9.822 1.00 11.43 C ATOM 0 H LEU A 32 17.349 -15.287 -12.097 1.00 11.15 H new ATOM 0 HA LEU A 32 19.775 -16.666 -11.329 1.00 32.43 H new ATOM 0 HB2 LEU A 32 17.111 -16.301 -9.911 1.00 4.22 H new ATOM 0 HB3 LEU A 32 18.584 -16.923 -9.194 1.00 4.22 H new ATOM 0 HG LEU A 32 18.002 -14.152 -10.156 1.00 40.11 H new ATOM 0 HD11 LEU A 32 18.522 -13.491 -7.855 1.00 1.31 H new ATOM 0 HD12 LEU A 32 17.139 -14.605 -7.976 1.00 1.31 H new ATOM 0 HD13 LEU A 32 18.722 -15.208 -7.430 1.00 1.31 H new ATOM 0 HD21 LEU A 32 20.253 -13.473 -9.504 1.00 11.43 H new ATOM 0 HD22 LEU A 32 20.683 -15.186 -9.283 1.00 11.43 H new ATOM 0 HD23 LEU A 32 20.219 -14.585 -10.893 1.00 11.43 H new ATOM 326 N ASN A 33 17.162 -18.167 -12.460 1.00 65.02 N ATOM 327 CA ASN A 33 16.559 -19.427 -12.960 1.00 42.23 C ATOM 328 C ASN A 33 15.953 -20.236 -11.798 1.00 25.40 C ATOM 329 O ASN A 33 15.662 -21.417 -11.899 1.00 64.44 O ATOM 330 CB ASN A 33 17.608 -20.236 -13.780 1.00 31.21 C ATOM 331 CG ASN A 33 17.026 -21.386 -14.606 1.00 4.23 C ATOM 332 OD1 ASN A 33 16.969 -22.527 -14.180 1.00 14.51 O ATOM 333 ND2 ASN A 33 16.600 -21.079 -15.812 1.00 14.14 N ATOM 0 H ASN A 33 16.690 -17.336 -12.817 1.00 65.02 H new ATOM 0 HA ASN A 33 15.737 -19.193 -13.637 1.00 42.23 H new ATOM 0 HB2 ASN A 33 18.130 -19.553 -14.450 1.00 31.21 H new ATOM 0 HB3 ASN A 33 18.352 -20.640 -13.094 1.00 31.21 H new ATOM 0 HD21 ASN A 33 16.211 -21.804 -16.415 1.00 14.14 H new ATOM 0 HD22 ASN A 33 16.659 -20.116 -16.144 1.00 14.14 H new ATOM 340 N LEU A 34 15.676 -19.540 -10.735 1.00 13.23 N ATOM 341 CA LEU A 34 15.130 -20.118 -9.562 1.00 55.32 C ATOM 342 C LEU A 34 14.076 -19.206 -8.993 1.00 43.24 C ATOM 343 O LEU A 34 14.138 -18.002 -9.204 1.00 31.33 O ATOM 344 CB LEU A 34 16.250 -20.480 -8.563 1.00 24.12 C ATOM 345 CG LEU A 34 17.302 -19.413 -8.218 1.00 13.51 C ATOM 346 CD1 LEU A 34 16.724 -18.277 -7.408 1.00 72.45 C ATOM 347 CD2 LEU A 34 18.463 -20.052 -7.497 1.00 11.32 C ATOM 0 H LEU A 34 15.830 -18.534 -10.667 1.00 13.23 H new ATOM 0 HA LEU A 34 14.634 -21.059 -9.800 1.00 55.32 H new ATOM 0 HB2 LEU A 34 15.776 -20.790 -7.632 1.00 24.12 H new ATOM 0 HB3 LEU A 34 16.777 -21.349 -8.957 1.00 24.12 H new ATOM 0 HG LEU A 34 17.654 -18.980 -9.154 1.00 13.51 H new ATOM 0 HD11 LEU A 34 17.507 -17.550 -7.190 1.00 72.45 H new ATOM 0 HD12 LEU A 34 15.928 -17.794 -7.975 1.00 72.45 H new ATOM 0 HD13 LEU A 34 16.320 -18.666 -6.473 1.00 72.45 H new ATOM 0 HD21 LEU A 34 19.205 -19.291 -7.255 1.00 11.32 H new ATOM 0 HD22 LEU A 34 18.108 -20.518 -6.578 1.00 11.32 H new ATOM 0 HD23 LEU A 34 18.916 -20.810 -8.136 1.00 11.32 H new ATOM 359 N THR A 35 13.123 -19.760 -8.286 1.00 32.51 N ATOM 360 CA THR A 35 12.017 -19.005 -7.764 1.00 1.25 C ATOM 361 C THR A 35 12.464 -18.157 -6.565 1.00 1.13 C ATOM 362 O THR A 35 13.516 -18.423 -5.995 1.00 34.21 O ATOM 363 CB THR A 35 10.888 -19.976 -7.362 1.00 4.44 C ATOM 364 OG1 THR A 35 11.438 -21.046 -6.575 1.00 33.54 O ATOM 365 CG2 THR A 35 10.202 -20.551 -8.593 1.00 72.25 C ATOM 0 H THR A 35 13.095 -20.753 -8.056 1.00 32.51 H new ATOM 0 HA THR A 35 11.646 -18.325 -8.530 1.00 1.25 H new ATOM 0 HB THR A 35 10.148 -19.427 -6.780 1.00 4.44 H new ATOM 0 HG1 THR A 35 10.722 -21.664 -6.317 1.00 33.54 H new ATOM 0 HG21 THR A 35 9.410 -21.233 -8.283 1.00 72.25 H new ATOM 0 HG22 THR A 35 9.773 -19.741 -9.183 1.00 72.25 H new ATOM 0 HG23 THR A 35 10.931 -21.092 -9.196 1.00 72.25 H new ATOM 373 N PRO A 36 11.662 -17.139 -6.135 1.00 30.50 N ATOM 374 CA PRO A 36 12.016 -16.268 -4.978 1.00 3.11 C ATOM 375 C PRO A 36 12.171 -17.067 -3.657 1.00 74.33 C ATOM 376 O PRO A 36 12.679 -16.591 -2.676 1.00 45.53 O ATOM 377 CB PRO A 36 10.816 -15.322 -4.862 1.00 11.41 C ATOM 378 CG PRO A 36 10.167 -15.339 -6.199 1.00 50.32 C ATOM 379 CD PRO A 36 10.385 -16.714 -6.756 1.00 41.41 C ATOM 0 HA PRO A 36 12.972 -15.768 -5.135 1.00 3.11 H new ATOM 0 HB2 PRO A 36 10.126 -15.656 -4.087 1.00 11.41 H new ATOM 0 HB3 PRO A 36 11.135 -14.315 -4.593 1.00 11.41 H new ATOM 0 HG2 PRO A 36 9.103 -15.117 -6.117 1.00 50.32 H new ATOM 0 HG3 PRO A 36 10.602 -14.582 -6.852 1.00 50.32 H new ATOM 0 HD2 PRO A 36 9.568 -17.387 -6.495 1.00 41.41 H new ATOM 0 HD3 PRO A 36 10.452 -16.701 -7.844 1.00 41.41 H new ATOM 387 N GLN A 37 11.753 -18.296 -3.716 1.00 34.41 N ATOM 388 CA GLN A 37 11.731 -19.226 -2.586 1.00 3.11 C ATOM 389 C GLN A 37 12.956 -20.128 -2.626 1.00 52.50 C ATOM 390 O GLN A 37 13.184 -20.934 -1.734 1.00 12.40 O ATOM 391 CB GLN A 37 10.454 -20.103 -2.579 1.00 13.32 C ATOM 392 CG GLN A 37 9.122 -19.349 -2.454 1.00 0.11 C ATOM 393 CD GLN A 37 8.730 -18.581 -3.708 1.00 53.43 C ATOM 394 OE1 GLN A 37 9.061 -18.974 -4.827 1.00 40.53 O ATOM 395 NE2 GLN A 37 8.047 -17.481 -3.534 1.00 64.44 N ATOM 0 H GLN A 37 11.401 -18.711 -4.579 1.00 34.41 H new ATOM 0 HA GLN A 37 11.736 -18.626 -1.676 1.00 3.11 H new ATOM 0 HB2 GLN A 37 10.433 -20.688 -3.499 1.00 13.32 H new ATOM 0 HB3 GLN A 37 10.527 -20.811 -1.753 1.00 13.32 H new ATOM 0 HG2 GLN A 37 8.333 -20.062 -2.214 1.00 0.11 H new ATOM 0 HG3 GLN A 37 9.187 -18.652 -1.618 1.00 0.11 H new ATOM 0 HE21 GLN A 37 7.789 -17.184 -2.593 1.00 64.44 H new ATOM 0 HE22 GLN A 37 7.772 -16.919 -4.339 1.00 64.44 H new ATOM 404 N GLN A 38 13.685 -20.038 -3.712 1.00 3.21 N ATOM 405 CA GLN A 38 14.954 -20.726 -3.875 1.00 74.42 C ATOM 406 C GLN A 38 16.012 -19.658 -3.977 1.00 14.55 C ATOM 407 O GLN A 38 17.170 -19.897 -4.309 1.00 4.31 O ATOM 408 CB GLN A 38 14.921 -21.595 -5.133 1.00 45.10 C ATOM 409 CG GLN A 38 13.923 -22.740 -5.051 1.00 54.42 C ATOM 410 CD GLN A 38 14.301 -23.775 -4.004 1.00 63.22 C ATOM 411 OE1 GLN A 38 14.977 -24.741 -4.300 1.00 24.55 O ATOM 412 NE2 GLN A 38 13.904 -23.559 -2.773 1.00 44.43 N ATOM 0 H GLN A 38 13.415 -19.479 -4.521 1.00 3.21 H new ATOM 0 HA GLN A 38 15.162 -21.389 -3.035 1.00 74.42 H new ATOM 0 HB2 GLN A 38 14.675 -20.970 -5.991 1.00 45.10 H new ATOM 0 HB3 GLN A 38 15.916 -22.002 -5.310 1.00 45.10 H new ATOM 0 HG2 GLN A 38 12.936 -22.340 -4.820 1.00 54.42 H new ATOM 0 HG3 GLN A 38 13.851 -23.224 -6.025 1.00 54.42 H new ATOM 0 HE21 GLN A 38 13.337 -22.739 -2.556 1.00 44.43 H new ATOM 0 HE22 GLN A 38 14.162 -24.211 -2.032 1.00 44.43 H new ATOM 421 N LEU A 39 15.574 -18.479 -3.660 1.00 70.15 N ATOM 422 CA LEU A 39 16.343 -17.309 -3.691 1.00 23.44 C ATOM 423 C LEU A 39 16.504 -16.786 -2.286 1.00 2.32 C ATOM 424 O LEU A 39 15.558 -16.732 -1.519 1.00 4.44 O ATOM 425 CB LEU A 39 15.669 -16.257 -4.617 1.00 32.14 C ATOM 426 CG LEU A 39 15.990 -14.790 -4.331 1.00 53.52 C ATOM 427 CD1 LEU A 39 17.487 -14.486 -4.428 1.00 20.34 C ATOM 428 CD2 LEU A 39 15.221 -13.837 -5.217 1.00 74.14 C ATOM 0 H LEU A 39 14.614 -18.316 -3.358 1.00 70.15 H new ATOM 0 HA LEU A 39 17.332 -17.521 -4.096 1.00 23.44 H new ATOM 0 HB2 LEU A 39 15.956 -16.475 -5.646 1.00 32.14 H new ATOM 0 HB3 LEU A 39 14.589 -16.388 -4.553 1.00 32.14 H new ATOM 0 HG LEU A 39 15.671 -14.629 -3.301 1.00 53.52 H new ATOM 0 HD11 LEU A 39 17.658 -13.431 -4.216 1.00 20.34 H new ATOM 0 HD12 LEU A 39 18.029 -15.094 -3.704 1.00 20.34 H new ATOM 0 HD13 LEU A 39 17.841 -14.716 -5.433 1.00 20.34 H new ATOM 0 HD21 LEU A 39 15.490 -12.811 -4.968 1.00 74.14 H new ATOM 0 HD22 LEU A 39 15.466 -14.033 -6.261 1.00 74.14 H new ATOM 0 HD23 LEU A 39 14.151 -13.979 -5.062 1.00 74.14 H new ATOM 440 N HIS A 40 17.710 -16.439 -1.976 1.00 31.20 N ATOM 441 CA HIS A 40 18.072 -15.819 -0.761 1.00 31.44 C ATOM 442 C HIS A 40 17.772 -14.335 -0.918 1.00 41.53 C ATOM 443 O HIS A 40 18.652 -13.587 -1.279 1.00 72.22 O ATOM 444 CB HIS A 40 19.597 -15.998 -0.561 1.00 14.05 C ATOM 445 CG HIS A 40 20.081 -17.419 -0.467 1.00 64.13 C ATOM 446 ND1 HIS A 40 20.893 -18.018 -1.415 1.00 41.43 N ATOM 447 CD2 HIS A 40 19.892 -18.350 0.498 1.00 0.10 C ATOM 448 CE1 HIS A 40 21.158 -19.261 -1.005 1.00 11.04 C ATOM 449 NE2 HIS A 40 20.581 -19.514 0.148 1.00 21.23 N ATOM 0 H HIS A 40 18.503 -16.591 -2.600 1.00 31.20 H new ATOM 0 HA HIS A 40 17.533 -16.245 0.086 1.00 31.44 H new ATOM 0 HB2 HIS A 40 20.113 -15.512 -1.389 1.00 14.05 H new ATOM 0 HB3 HIS A 40 19.889 -15.473 0.348 1.00 14.05 H new ATOM 0 HD2 HIS A 40 19.304 -18.215 1.394 1.00 0.10 H new ATOM 0 HE1 HIS A 40 21.767 -19.967 -1.550 1.00 11.04 H new ATOM 0 HE2 HIS A 40 20.627 -20.383 0.679 1.00 21.23 H new ATOM 457 N GLU A 41 16.507 -13.939 -0.823 1.00 0.20 N ATOM 458 CA GLU A 41 16.174 -12.521 -0.957 1.00 21.21 C ATOM 459 C GLU A 41 16.321 -11.814 0.375 1.00 13.54 C ATOM 460 O GLU A 41 16.613 -10.605 0.450 1.00 11.44 O ATOM 461 CB GLU A 41 14.797 -12.270 -1.595 1.00 1.32 C ATOM 462 CG GLU A 41 13.592 -12.717 -0.792 1.00 1.40 C ATOM 463 CD GLU A 41 12.303 -12.333 -1.483 1.00 24.30 C ATOM 464 OE1 GLU A 41 12.068 -11.122 -1.699 1.00 75.52 O ATOM 465 OE2 GLU A 41 11.506 -13.222 -1.832 1.00 62.23 O ATOM 0 H GLU A 41 15.713 -14.558 -0.658 1.00 0.20 H new ATOM 0 HA GLU A 41 16.892 -12.094 -1.657 1.00 21.21 H new ATOM 0 HB2 GLU A 41 14.700 -11.202 -1.791 1.00 1.32 H new ATOM 0 HB3 GLU A 41 14.771 -12.775 -2.561 1.00 1.32 H new ATOM 0 HG2 GLU A 41 13.625 -13.797 -0.652 1.00 1.40 H new ATOM 0 HG3 GLU A 41 13.625 -12.266 0.200 1.00 1.40 H new ATOM 472 N GLU A 42 16.136 -12.574 1.411 1.00 64.54 N ATOM 473 CA GLU A 42 16.301 -12.130 2.766 1.00 54.45 C ATOM 474 C GLU A 42 17.729 -12.404 3.202 1.00 21.31 C ATOM 475 O GLU A 42 18.279 -11.729 4.072 1.00 63.01 O ATOM 476 CB GLU A 42 15.256 -12.800 3.708 1.00 22.50 C ATOM 477 CG GLU A 42 14.794 -14.224 3.300 1.00 62.21 C ATOM 478 CD GLU A 42 15.931 -15.184 3.042 1.00 21.12 C ATOM 479 OE1 GLU A 42 16.440 -15.783 3.985 1.00 61.32 O ATOM 480 OE2 GLU A 42 16.372 -15.269 1.871 1.00 35.52 O ATOM 0 H GLU A 42 15.857 -13.552 1.337 1.00 64.54 H new ATOM 0 HA GLU A 42 16.120 -11.057 2.827 1.00 54.45 H new ATOM 0 HB2 GLU A 42 15.679 -12.849 4.712 1.00 22.50 H new ATOM 0 HB3 GLU A 42 14.379 -12.156 3.763 1.00 22.50 H new ATOM 0 HG2 GLU A 42 14.160 -14.630 4.088 1.00 62.21 H new ATOM 0 HG3 GLU A 42 14.180 -14.153 2.402 1.00 62.21 H new ATOM 487 N SER A 43 18.306 -13.377 2.561 1.00 41.24 N ATOM 488 CA SER A 43 19.643 -13.771 2.751 1.00 31.45 C ATOM 489 C SER A 43 20.527 -13.130 1.676 1.00 32.42 C ATOM 490 O SER A 43 20.025 -12.443 0.792 1.00 60.21 O ATOM 491 CB SER A 43 19.726 -15.292 2.754 1.00 55.11 C ATOM 492 OG SER A 43 19.139 -15.834 3.923 1.00 12.43 O ATOM 0 H SER A 43 17.820 -13.936 1.860 1.00 41.24 H new ATOM 0 HA SER A 43 20.012 -13.424 3.716 1.00 31.45 H new ATOM 0 HB2 SER A 43 19.221 -15.688 1.873 1.00 55.11 H new ATOM 0 HB3 SER A 43 20.769 -15.602 2.690 1.00 55.11 H new ATOM 0 HG SER A 43 18.169 -15.904 3.800 1.00 12.43 H new ATOM 498 N ASN A 44 21.835 -13.254 1.836 1.00 74.54 N ATOM 499 CA ASN A 44 22.817 -12.680 0.898 1.00 1.14 C ATOM 500 C ASN A 44 22.525 -13.042 -0.565 1.00 1.31 C ATOM 501 O ASN A 44 22.573 -14.210 -0.955 1.00 13.11 O ATOM 502 CB ASN A 44 24.243 -13.116 1.278 1.00 64.31 C ATOM 503 CG ASN A 44 25.313 -12.560 0.345 1.00 75.00 C ATOM 504 OD1 ASN A 44 25.138 -11.521 -0.256 1.00 55.42 O ATOM 505 ND2 ASN A 44 26.428 -13.246 0.227 1.00 33.11 N ATOM 0 H ASN A 44 22.258 -13.754 2.618 1.00 74.54 H new ATOM 0 HA ASN A 44 22.733 -11.596 0.981 1.00 1.14 H new ATOM 0 HB2 ASN A 44 24.455 -12.792 2.297 1.00 64.31 H new ATOM 0 HB3 ASN A 44 24.296 -14.205 1.272 1.00 64.31 H new ATOM 0 HD21 ASN A 44 27.173 -12.908 -0.382 1.00 33.11 H new ATOM 0 HD22 ASN A 44 26.548 -14.117 0.744 1.00 33.11 H new ATOM 512 N LEU A 45 22.265 -12.016 -1.359 1.00 1.42 N ATOM 513 CA LEU A 45 21.970 -12.158 -2.776 1.00 21.45 C ATOM 514 C LEU A 45 23.180 -12.635 -3.550 1.00 2.13 C ATOM 515 O LEU A 45 23.046 -13.244 -4.596 1.00 32.12 O ATOM 516 CB LEU A 45 21.470 -10.846 -3.385 1.00 44.55 C ATOM 517 CG LEU A 45 20.119 -10.324 -2.903 1.00 52.42 C ATOM 518 CD1 LEU A 45 19.812 -9.015 -3.571 1.00 25.21 C ATOM 519 CD2 LEU A 45 19.022 -11.309 -3.223 1.00 31.22 C ATOM 0 H LEU A 45 22.253 -11.049 -1.034 1.00 1.42 H new ATOM 0 HA LEU A 45 21.180 -12.906 -2.852 1.00 21.45 H new ATOM 0 HB2 LEU A 45 22.218 -10.077 -3.192 1.00 44.55 H new ATOM 0 HB3 LEU A 45 21.417 -10.974 -4.466 1.00 44.55 H new ATOM 0 HG LEU A 45 20.171 -10.187 -1.823 1.00 52.42 H new ATOM 0 HD11 LEU A 45 18.847 -8.647 -3.224 1.00 25.21 H new ATOM 0 HD12 LEU A 45 20.587 -8.290 -3.324 1.00 25.21 H new ATOM 0 HD13 LEU A 45 19.779 -9.157 -4.651 1.00 25.21 H new ATOM 0 HD21 LEU A 45 18.068 -10.918 -2.871 1.00 31.22 H new ATOM 0 HD22 LEU A 45 18.975 -11.464 -4.301 1.00 31.22 H new ATOM 0 HD23 LEU A 45 19.229 -12.258 -2.729 1.00 31.22 H new ATOM 531 N ILE A 46 24.362 -12.390 -3.009 1.00 51.51 N ATOM 532 CA ILE A 46 25.601 -12.797 -3.665 1.00 13.10 C ATOM 533 C ILE A 46 25.777 -14.338 -3.504 1.00 21.12 C ATOM 534 O ILE A 46 26.671 -14.945 -4.068 1.00 73.11 O ATOM 535 CB ILE A 46 26.837 -12.020 -3.075 1.00 2.04 C ATOM 536 CG1 ILE A 46 26.583 -10.491 -3.026 1.00 53.24 C ATOM 537 CG2 ILE A 46 28.110 -12.286 -3.879 1.00 75.42 C ATOM 538 CD1 ILE A 46 26.383 -9.813 -4.376 1.00 72.42 C ATOM 0 H ILE A 46 24.493 -11.912 -2.118 1.00 51.51 H new ATOM 0 HA ILE A 46 25.545 -12.550 -4.725 1.00 13.10 H new ATOM 0 HB ILE A 46 26.973 -12.392 -2.060 1.00 2.04 H new ATOM 0 HG12 ILE A 46 25.701 -10.307 -2.413 1.00 53.24 H new ATOM 0 HG13 ILE A 46 27.426 -10.017 -2.523 1.00 53.24 H new ATOM 0 HG21 ILE A 46 28.940 -11.732 -3.440 1.00 75.42 H new ATOM 0 HG22 ILE A 46 28.336 -13.352 -3.861 1.00 75.42 H new ATOM 0 HG23 ILE A 46 27.963 -11.964 -4.910 1.00 75.42 H new ATOM 0 HD11 ILE A 46 26.213 -8.747 -4.226 1.00 72.42 H new ATOM 0 HD12 ILE A 46 27.272 -9.956 -4.990 1.00 72.42 H new ATOM 0 HD13 ILE A 46 25.520 -10.251 -4.879 1.00 72.42 H new ATOM 550 N GLN A 47 24.890 -14.955 -2.712 1.00 72.43 N ATOM 551 CA GLN A 47 24.876 -16.408 -2.577 1.00 30.22 C ATOM 552 C GLN A 47 24.035 -17.021 -3.685 1.00 73.55 C ATOM 553 O GLN A 47 23.944 -18.239 -3.815 1.00 21.04 O ATOM 554 CB GLN A 47 24.328 -16.859 -1.228 1.00 61.22 C ATOM 555 CG GLN A 47 25.104 -16.354 -0.032 1.00 24.33 C ATOM 556 CD GLN A 47 26.565 -16.769 0.000 1.00 20.14 C ATOM 557 OE1 GLN A 47 27.395 -16.042 0.528 1.00 63.03 O ATOM 558 NE2 GLN A 47 26.889 -17.921 -0.540 1.00 60.24 N ATOM 0 H GLN A 47 24.181 -14.471 -2.162 1.00 72.43 H new ATOM 0 HA GLN A 47 25.909 -16.747 -2.650 1.00 30.22 H new ATOM 0 HB2 GLN A 47 23.294 -16.525 -1.141 1.00 61.22 H new ATOM 0 HB3 GLN A 47 24.315 -17.949 -1.202 1.00 61.22 H new ATOM 0 HG2 GLN A 47 25.049 -15.266 -0.014 1.00 24.33 H new ATOM 0 HG3 GLN A 47 24.619 -16.712 0.876 1.00 24.33 H new ATOM 0 HE21 GLN A 47 26.170 -18.502 -0.972 1.00 60.24 H new ATOM 0 HE22 GLN A 47 27.859 -18.235 -0.528 1.00 60.24 H new ATOM 567 N ALA A 48 23.369 -16.167 -4.431 1.00 72.01 N ATOM 568 CA ALA A 48 22.593 -16.583 -5.573 1.00 55.30 C ATOM 569 C ALA A 48 23.452 -16.385 -6.810 1.00 73.10 C ATOM 570 O ALA A 48 24.535 -15.805 -6.715 1.00 2.24 O ATOM 571 CB ALA A 48 21.299 -15.781 -5.671 1.00 65.15 C ATOM 0 H ALA A 48 23.352 -15.162 -4.260 1.00 72.01 H new ATOM 0 HA ALA A 48 22.310 -17.631 -5.477 1.00 55.30 H new ATOM 0 HB1 ALA A 48 20.730 -16.112 -6.540 1.00 65.15 H new ATOM 0 HB2 ALA A 48 20.706 -15.935 -4.769 1.00 65.15 H new ATOM 0 HB3 ALA A 48 21.534 -14.722 -5.774 1.00 65.15 H new ATOM 577 N GLY A 49 22.991 -16.825 -7.959 1.00 71.33 N ATOM 578 CA GLY A 49 23.827 -16.716 -9.124 1.00 63.14 C ATOM 579 C GLY A 49 23.678 -15.386 -9.805 1.00 42.14 C ATOM 580 O GLY A 49 22.886 -15.240 -10.725 1.00 32.43 O ATOM 0 H GLY A 49 22.074 -17.247 -8.107 1.00 71.33 H new ATOM 0 HA2 GLY A 49 24.868 -16.861 -8.837 1.00 63.14 H new ATOM 0 HA3 GLY A 49 23.576 -17.512 -9.825 1.00 63.14 H new ATOM 584 N LEU A 50 24.458 -14.434 -9.373 1.00 65.31 N ATOM 585 CA LEU A 50 24.470 -13.133 -9.958 1.00 40.12 C ATOM 586 C LEU A 50 25.841 -12.536 -9.864 1.00 73.44 C ATOM 587 O LEU A 50 26.715 -13.077 -9.182 1.00 1.13 O ATOM 588 CB LEU A 50 23.358 -12.210 -9.386 1.00 1.12 C ATOM 589 CG LEU A 50 23.285 -11.966 -7.871 1.00 42.44 C ATOM 590 CD1 LEU A 50 24.352 -10.990 -7.378 1.00 0.13 C ATOM 591 CD2 LEU A 50 21.910 -11.466 -7.520 1.00 42.31 C ATOM 0 H LEU A 50 25.109 -14.547 -8.596 1.00 65.31 H new ATOM 0 HA LEU A 50 24.229 -13.234 -11.016 1.00 40.12 H new ATOM 0 HB2 LEU A 50 23.459 -11.238 -9.869 1.00 1.12 H new ATOM 0 HB3 LEU A 50 22.398 -12.623 -9.697 1.00 1.12 H new ATOM 0 HG LEU A 50 23.481 -12.914 -7.369 1.00 42.44 H new ATOM 0 HD11 LEU A 50 24.252 -10.856 -6.301 1.00 0.13 H new ATOM 0 HD12 LEU A 50 25.341 -11.388 -7.604 1.00 0.13 H new ATOM 0 HD13 LEU A 50 24.225 -10.029 -7.877 1.00 0.13 H new ATOM 0 HD21 LEU A 50 21.850 -11.290 -6.446 1.00 42.31 H new ATOM 0 HD22 LEU A 50 21.715 -10.535 -8.052 1.00 42.31 H new ATOM 0 HD23 LEU A 50 21.168 -12.210 -7.808 1.00 42.31 H new ATOM 603 N ASP A 51 26.019 -11.452 -10.531 1.00 25.21 N ATOM 604 CA ASP A 51 27.273 -10.771 -10.609 1.00 11.51 C ATOM 605 C ASP A 51 27.052 -9.319 -10.280 1.00 74.32 C ATOM 606 O ASP A 51 25.961 -8.936 -9.862 1.00 13.10 O ATOM 607 CB ASP A 51 27.860 -10.910 -12.016 1.00 1.23 C ATOM 608 CG ASP A 51 26.873 -10.502 -13.111 1.00 64.14 C ATOM 609 OD1 ASP A 51 26.330 -9.386 -13.071 1.00 52.11 O ATOM 610 OD2 ASP A 51 26.571 -11.328 -13.981 1.00 71.22 O ATOM 0 H ASP A 51 25.274 -10.995 -11.057 1.00 25.21 H new ATOM 0 HA ASP A 51 27.977 -11.207 -9.900 1.00 11.51 H new ATOM 0 HB2 ASP A 51 28.757 -10.295 -12.093 1.00 1.23 H new ATOM 0 HB3 ASP A 51 28.167 -11.943 -12.176 1.00 1.23 H new HETATM 615 N 4HJ A 52 28.016 -8.497 -10.576 1.00 42.21 N HETATM 616 CA 4HJ A 52 27.963 -7.116 -10.175 1.00 2.12 C HETATM 617 CAA 4HJ A 52 29.893 -9.895 -7.728 1.00 4.45 C HETATM 618 C 4HJ A 52 27.392 -6.282 -11.278 1.00 3.41 C HETATM 619 O 4HJ A 52 27.118 -5.089 -11.091 1.00 15.21 O HETATM 620 CB 4HJ A 52 29.319 -6.648 -9.831 1.00 24.43 C HETATM 621 OG 4HJ A 52 30.186 -6.892 -10.920 1.00 72.53 O HETATM 622 CZ1 4HJ A 52 30.883 -9.044 -8.161 1.00 44.14 C HETATM 623 CZ2 4HJ A 52 29.516 -9.908 -6.408 1.00 65.23 C HETATM 624 OZ 4HJ A 52 32.541 -7.396 -7.748 1.00 62.24 O HETATM 625 CJ 4HJ A 52 31.759 -3.911 -10.220 1.00 64.42 C HETATM 626 CK 4HJ A 52 32.013 -3.095 -8.932 1.00 41.42 C HETATM 627 CL1 4HJ A 52 33.089 -3.875 -8.174 1.00 60.33 C HETATM 628 CL2 4HJ A 52 30.724 -3.130 -8.149 1.00 34.23 C HETATM 629 CM 4HJ A 52 32.603 -0.655 -8.073 1.00 60.55 C HETATM 630 OM 4HJ A 52 31.399 -1.083 -10.090 1.00 13.35 O HETATM 631 NN 4HJ A 52 33.817 -0.160 -7.837 1.00 13.44 N HETATM 632 ON 4HJ A 52 31.628 -0.355 -7.382 1.00 3.41 O HETATM 633 P 4HJ A 52 31.637 -6.342 -10.801 1.00 71.24 P HETATM 634 O1P 4HJ A 52 32.054 -5.830 -12.110 1.00 73.43 O HETATM 635 O2P 4HJ A 52 32.510 -7.449 -10.338 1.00 74.20 O HETATM 636 O3P 4HJ A 52 31.617 -5.281 -9.803 1.00 51.13 O HETATM 637 CX 4HJ A 52 31.147 -8.178 -5.887 1.00 41.42 C HETATM 638 CL3 4HJ A 52 32.450 -1.617 -9.310 1.00 25.21 C HETATM 639 CO 4HJ A 52 34.862 -0.747 -6.947 1.00 54.04 C HETATM 640 CP 4HJ A 52 34.297 -1.617 -5.817 1.00 44.13 C HETATM 641 CQ 4HJ A 52 35.246 -2.737 -5.424 1.00 4.00 C HETATM 642 CS 4HJ A 52 34.313 -4.238 -3.703 1.00 74.03 C HETATM 643 CT 4HJ A 52 33.137 -5.205 -3.712 1.00 64.23 C HETATM 644 CV 4HJ A 52 31.743 -7.276 -4.802 1.00 63.04 C HETATM 645 CY1 4HJ A 52 31.543 -8.192 -7.269 1.00 13.25 C HETATM 646 CY2 4HJ A 52 30.137 -9.044 -5.492 1.00 35.40 C HETATM 647 NR 4HJ A 52 34.675 -3.867 -5.063 1.00 51.24 N HETATM 648 OR 4HJ A 52 36.457 -2.589 -5.475 1.00 44.41 O HETATM 649 OW 4HJ A 52 31.279 -7.256 -3.653 1.00 64.43 O HETATM 650 SU 4HJ A 52 33.110 -6.245 -5.204 1.00 51.30 S ATOM 680 N ILE A 53 27.258 -6.856 -12.437 1.00 10.41 N ATOM 681 CA ILE A 53 26.701 -6.137 -13.494 1.00 52.00 C ATOM 682 C ILE A 53 25.217 -6.086 -13.228 1.00 44.22 C ATOM 683 O ILE A 53 24.567 -5.074 -13.459 1.00 1.13 O ATOM 684 CB ILE A 53 27.074 -6.727 -14.902 1.00 1.32 C ATOM 685 CG1 ILE A 53 27.440 -5.598 -15.844 1.00 3.23 C ATOM 686 CG2 ILE A 53 25.967 -7.592 -15.532 1.00 31.31 C ATOM 687 CD1 ILE A 53 26.366 -4.543 -15.976 1.00 72.15 C ATOM 0 H ILE A 53 27.531 -7.815 -12.653 1.00 10.41 H new ATOM 0 HA ILE A 53 27.110 -5.127 -13.539 1.00 52.00 H new ATOM 0 HB ILE A 53 27.923 -7.391 -14.742 1.00 1.32 H new ATOM 0 HG12 ILE A 53 28.358 -5.127 -15.493 1.00 3.23 H new ATOM 0 HG13 ILE A 53 27.652 -6.013 -16.829 1.00 3.23 H new ATOM 0 HG21 ILE A 53 26.301 -7.962 -16.501 1.00 31.31 H new ATOM 0 HG22 ILE A 53 25.748 -8.436 -14.878 1.00 31.31 H new ATOM 0 HG23 ILE A 53 25.067 -6.992 -15.663 1.00 31.31 H new ATOM 0 HD11 ILE A 53 26.700 -3.768 -16.666 1.00 72.15 H new ATOM 0 HD12 ILE A 53 25.453 -4.999 -16.357 1.00 72.15 H new ATOM 0 HD13 ILE A 53 26.170 -4.099 -15.000 1.00 72.15 H new ATOM 699 N ARG A 54 24.711 -7.171 -12.653 1.00 62.12 N ATOM 700 CA ARG A 54 23.362 -7.229 -12.173 1.00 24.43 C ATOM 701 C ARG A 54 23.126 -6.121 -11.182 1.00 5.10 C ATOM 702 O ARG A 54 22.166 -5.373 -11.337 1.00 42.34 O ATOM 703 CB ARG A 54 23.029 -8.605 -11.583 1.00 3.44 C ATOM 704 CG ARG A 54 22.458 -9.590 -12.602 1.00 74.51 C ATOM 705 CD ARG A 54 23.366 -9.817 -13.809 1.00 2.03 C ATOM 706 NE ARG A 54 22.692 -10.656 -14.810 1.00 32.11 N ATOM 707 CZ ARG A 54 23.272 -11.541 -15.620 1.00 33.33 C ATOM 708 NH1 ARG A 54 24.573 -11.808 -15.537 1.00 11.42 N ATOM 709 NH2 ARG A 54 22.512 -12.184 -16.499 1.00 33.43 N ATOM 0 H ARG A 54 25.239 -8.032 -12.513 1.00 62.12 H new ATOM 0 HA ARG A 54 22.686 -7.085 -13.016 1.00 24.43 H new ATOM 0 HB2 ARG A 54 23.932 -9.031 -11.146 1.00 3.44 H new ATOM 0 HB3 ARG A 54 22.312 -8.479 -10.772 1.00 3.44 H new ATOM 0 HG2 ARG A 54 22.277 -10.545 -12.109 1.00 74.51 H new ATOM 0 HG3 ARG A 54 21.492 -9.222 -12.949 1.00 74.51 H new ATOM 0 HD2 ARG A 54 23.638 -8.859 -14.252 1.00 2.03 H new ATOM 0 HD3 ARG A 54 24.292 -10.295 -13.490 1.00 2.03 H new ATOM 0 HE ARG A 54 21.681 -10.550 -14.893 1.00 32.11 H new ATOM 0 HH11 ARG A 54 25.148 -11.331 -14.843 1.00 11.42 H new ATOM 0 HH12 ARG A 54 24.995 -12.489 -16.168 1.00 11.42 H new ATOM 0 HH21 ARG A 54 21.511 -11.995 -16.542 1.00 33.43 H new ATOM 0 HH22 ARG A 54 22.930 -12.867 -17.131 1.00 33.43 H new ATOM 723 N LEU A 55 24.042 -5.952 -10.221 1.00 2.31 N ATOM 724 CA LEU A 55 23.896 -4.875 -9.247 1.00 43.01 C ATOM 725 C LEU A 55 24.060 -3.504 -9.862 1.00 74.14 C ATOM 726 O LEU A 55 23.293 -2.607 -9.541 1.00 15.54 O ATOM 727 CB LEU A 55 24.796 -4.984 -8.011 1.00 14.51 C ATOM 728 CG LEU A 55 24.505 -6.105 -7.021 1.00 74.04 C ATOM 729 CD1 LEU A 55 25.263 -7.367 -7.367 1.00 12.00 C ATOM 730 CD2 LEU A 55 24.799 -5.646 -5.607 1.00 52.02 C ATOM 0 H LEU A 55 24.871 -6.534 -10.101 1.00 2.31 H new ATOM 0 HA LEU A 55 22.870 -5.001 -8.902 1.00 43.01 H new ATOM 0 HB2 LEU A 55 25.824 -5.098 -8.354 1.00 14.51 H new ATOM 0 HB3 LEU A 55 24.742 -4.038 -7.472 1.00 14.51 H new ATOM 0 HG LEU A 55 23.445 -6.349 -7.086 1.00 74.04 H new ATOM 0 HD11 LEU A 55 25.029 -8.143 -6.638 1.00 12.00 H new ATOM 0 HD12 LEU A 55 24.973 -7.704 -8.362 1.00 12.00 H new ATOM 0 HD13 LEU A 55 26.334 -7.164 -7.350 1.00 12.00 H new ATOM 0 HD21 LEU A 55 24.587 -6.457 -4.910 1.00 52.02 H new ATOM 0 HD22 LEU A 55 25.849 -5.364 -5.527 1.00 52.02 H new ATOM 0 HD23 LEU A 55 24.173 -4.787 -5.366 1.00 52.02 H new ATOM 742 N MET A 56 25.044 -3.324 -10.751 1.00 32.40 N ATOM 743 CA MET A 56 25.260 -1.999 -11.354 1.00 11.13 C ATOM 744 C MET A 56 24.050 -1.548 -12.155 1.00 14.52 C ATOM 745 O MET A 56 23.774 -0.347 -12.250 1.00 73.30 O ATOM 746 CB MET A 56 26.562 -1.882 -12.172 1.00 55.24 C ATOM 747 CG MET A 56 27.893 -2.030 -11.385 1.00 32.42 C ATOM 748 SD MET A 56 28.007 -1.036 -9.875 1.00 3.41 S ATOM 749 CE MET A 56 27.227 -2.119 -8.669 1.00 41.52 C ATOM 0 H MET A 56 25.686 -4.052 -11.063 1.00 32.40 H new ATOM 0 HA MET A 56 25.388 -1.315 -10.515 1.00 11.13 H new ATOM 0 HB2 MET A 56 26.542 -2.641 -12.954 1.00 55.24 H new ATOM 0 HB3 MET A 56 26.566 -0.912 -12.669 1.00 55.24 H new ATOM 0 HG2 MET A 56 28.027 -3.079 -11.122 1.00 32.42 H new ATOM 0 HG3 MET A 56 28.718 -1.759 -12.043 1.00 32.42 H new ATOM 0 HE1 MET A 56 27.816 -2.127 -7.752 1.00 41.52 H new ATOM 0 HE2 MET A 56 26.222 -1.757 -8.451 1.00 41.52 H new ATOM 0 HE3 MET A 56 27.169 -3.130 -9.072 1.00 41.52 H new ATOM 759 N ARG A 57 23.317 -2.520 -12.713 1.00 34.30 N ATOM 760 CA ARG A 57 22.049 -2.245 -13.355 1.00 43.40 C ATOM 761 C ARG A 57 21.105 -1.645 -12.365 1.00 32.42 C ATOM 762 O ARG A 57 20.565 -0.583 -12.595 1.00 14.42 O ATOM 763 CB ARG A 57 21.409 -3.492 -13.829 1.00 3.11 C ATOM 764 CG ARG A 57 22.163 -4.200 -14.888 1.00 35.13 C ATOM 765 CD ARG A 57 21.281 -5.210 -15.476 1.00 43.31 C ATOM 766 NE ARG A 57 20.695 -6.104 -14.455 1.00 73.33 N ATOM 767 CZ ARG A 57 20.274 -7.350 -14.666 1.00 54.13 C ATOM 768 NH1 ARG A 57 20.653 -8.022 -15.755 1.00 24.12 N ATOM 769 NH2 ARG A 57 19.538 -7.958 -13.754 1.00 54.13 N ATOM 0 H ARG A 57 23.591 -3.502 -12.727 1.00 34.30 H new ATOM 0 HA ARG A 57 22.249 -1.574 -14.190 1.00 43.40 H new ATOM 0 HB2 ARG A 57 21.278 -4.164 -12.981 1.00 3.11 H new ATOM 0 HB3 ARG A 57 20.413 -3.255 -14.205 1.00 3.11 H new ATOM 0 HG2 ARG A 57 22.499 -3.497 -15.651 1.00 35.13 H new ATOM 0 HG3 ARG A 57 23.055 -4.669 -14.472 1.00 35.13 H new ATOM 0 HD2 ARG A 57 20.480 -4.715 -16.025 1.00 43.31 H new ATOM 0 HD3 ARG A 57 21.842 -5.804 -16.197 1.00 43.31 H new ATOM 0 HE ARG A 57 20.605 -5.735 -13.508 1.00 73.33 H new ATOM 0 HH11 ARG A 57 21.271 -7.582 -16.436 1.00 24.12 H new ATOM 0 HH12 ARG A 57 20.324 -8.976 -15.906 1.00 24.12 H new ATOM 0 HH21 ARG A 57 19.293 -7.474 -12.890 1.00 54.13 H new ATOM 0 HH22 ARG A 57 19.214 -8.912 -13.913 1.00 54.13 H new ATOM 783 N TRP A 58 20.963 -2.349 -11.225 1.00 30.03 N ATOM 784 CA TRP A 58 20.053 -1.972 -10.151 1.00 51.55 C ATOM 785 C TRP A 58 20.234 -0.552 -9.733 1.00 15.03 C ATOM 786 O TRP A 58 19.287 0.234 -9.826 1.00 32.32 O ATOM 787 CB TRP A 58 20.110 -2.972 -8.980 1.00 71.20 C ATOM 788 CG TRP A 58 19.687 -4.348 -9.428 1.00 51.12 C ATOM 789 CD1 TRP A 58 20.260 -5.537 -9.087 1.00 15.44 C ATOM 790 CD2 TRP A 58 18.607 -4.672 -10.351 1.00 51.53 C ATOM 791 NE1 TRP A 58 19.652 -6.563 -9.761 1.00 1.32 N ATOM 792 CE2 TRP A 58 18.632 -6.054 -10.533 1.00 41.03 C ATOM 793 CE3 TRP A 58 17.624 -3.923 -11.048 1.00 34.24 C ATOM 794 CZ2 TRP A 58 17.744 -6.699 -11.376 1.00 54.21 C ATOM 795 CZ3 TRP A 58 16.745 -4.583 -11.869 1.00 74.24 C ATOM 796 CH2 TRP A 58 16.815 -5.955 -12.031 1.00 63.51 C ATOM 0 H TRP A 58 21.487 -3.203 -11.032 1.00 30.03 H new ATOM 0 HA TRP A 58 19.038 -2.030 -10.544 1.00 51.55 H new ATOM 0 HB2 TRP A 58 21.123 -3.011 -8.579 1.00 71.20 H new ATOM 0 HB3 TRP A 58 19.460 -2.632 -8.174 1.00 71.20 H new ATOM 0 HD1 TRP A 58 21.075 -5.653 -8.387 1.00 15.44 H new ATOM 0 HE1 TRP A 58 19.913 -7.547 -9.701 1.00 1.32 H new ATOM 0 HE3 TRP A 58 17.569 -2.850 -10.934 1.00 34.24 H new ATOM 0 HZ2 TRP A 58 17.789 -7.770 -11.510 1.00 54.21 H new ATOM 0 HZ3 TRP A 58 15.987 -4.023 -12.397 1.00 74.24 H new ATOM 0 HH2 TRP A 58 16.116 -6.445 -12.692 1.00 63.51 H new ATOM 807 N LEU A 59 21.452 -0.191 -9.360 1.00 32.21 N ATOM 808 CA LEU A 59 21.757 1.187 -8.953 1.00 1.51 C ATOM 809 C LEU A 59 21.296 2.189 -9.961 1.00 75.43 C ATOM 810 O LEU A 59 20.437 2.998 -9.676 1.00 44.32 O ATOM 811 CB LEU A 59 23.247 1.410 -8.759 1.00 41.01 C ATOM 812 CG LEU A 59 23.866 0.946 -7.471 1.00 50.35 C ATOM 813 CD1 LEU A 59 23.254 1.641 -6.292 1.00 25.50 C ATOM 814 CD2 LEU A 59 23.821 -0.546 -7.334 1.00 30.44 C ATOM 0 H LEU A 59 22.249 -0.826 -9.328 1.00 32.21 H new ATOM 0 HA LEU A 59 21.226 1.325 -8.011 1.00 1.51 H new ATOM 0 HB2 LEU A 59 23.769 0.915 -9.578 1.00 41.01 H new ATOM 0 HB3 LEU A 59 23.441 2.478 -8.857 1.00 41.01 H new ATOM 0 HG LEU A 59 24.920 1.222 -7.496 1.00 50.35 H new ATOM 0 HD11 LEU A 59 23.723 1.284 -5.375 1.00 25.50 H new ATOM 0 HD12 LEU A 59 23.408 2.716 -6.383 1.00 25.50 H new ATOM 0 HD13 LEU A 59 22.185 1.429 -6.259 1.00 25.50 H new ATOM 0 HD21 LEU A 59 24.279 -0.839 -6.389 1.00 30.44 H new ATOM 0 HD22 LEU A 59 22.784 -0.882 -7.354 1.00 30.44 H new ATOM 0 HD23 LEU A 59 24.367 -1.004 -8.159 1.00 30.44 H new ATOM 826 N HIS A 60 21.830 2.078 -11.141 1.00 54.33 N ATOM 827 CA HIS A 60 21.602 3.019 -12.216 1.00 34.45 C ATOM 828 C HIS A 60 20.104 3.135 -12.543 1.00 23.43 C ATOM 829 O HIS A 60 19.571 4.236 -12.738 1.00 15.21 O ATOM 830 CB HIS A 60 22.419 2.534 -13.411 1.00 70.13 C ATOM 831 CG HIS A 60 22.400 3.431 -14.628 1.00 2.54 C ATOM 832 ND1 HIS A 60 23.393 4.341 -14.933 1.00 33.12 N ATOM 833 CD2 HIS A 60 21.494 3.523 -15.637 1.00 74.21 C ATOM 834 CE1 HIS A 60 23.064 4.940 -16.083 1.00 40.31 C ATOM 835 NE2 HIS A 60 21.924 4.479 -16.551 1.00 14.12 N ATOM 0 H HIS A 60 22.454 1.313 -11.397 1.00 54.33 H new ATOM 0 HA HIS A 60 21.918 4.023 -11.932 1.00 34.45 H new ATOM 0 HB2 HIS A 60 23.454 2.407 -13.092 1.00 70.13 H new ATOM 0 HB3 HIS A 60 22.052 1.550 -13.703 1.00 70.13 H new ATOM 0 HD2 HIS A 60 20.585 2.946 -15.716 1.00 74.21 H new ATOM 0 HE1 HIS A 60 23.657 5.703 -16.565 1.00 40.31 H new ATOM 0 HE2 HIS A 60 21.452 4.764 -17.409 1.00 14.12 H new ATOM 843 N TRP A 61 19.450 2.004 -12.520 1.00 25.50 N ATOM 844 CA TRP A 61 18.048 1.868 -12.806 1.00 53.10 C ATOM 845 C TRP A 61 17.193 2.694 -11.823 1.00 4.32 C ATOM 846 O TRP A 61 16.379 3.533 -12.249 1.00 13.34 O ATOM 847 CB TRP A 61 17.716 0.388 -12.731 1.00 73.51 C ATOM 848 CG TRP A 61 16.352 -0.018 -13.159 1.00 25.51 C ATOM 849 CD1 TRP A 61 15.818 0.056 -14.411 1.00 42.15 C ATOM 850 CD2 TRP A 61 15.379 -0.635 -12.341 1.00 1.24 C ATOM 851 NE1 TRP A 61 14.551 -0.470 -14.407 1.00 32.14 N ATOM 852 CE2 TRP A 61 14.261 -0.908 -13.140 1.00 44.53 C ATOM 853 CE3 TRP A 61 15.349 -0.978 -11.001 1.00 14.14 C ATOM 854 CZ2 TRP A 61 13.123 -1.521 -12.635 1.00 50.23 C ATOM 855 CZ3 TRP A 61 14.226 -1.584 -10.499 1.00 4.34 C ATOM 856 CH2 TRP A 61 13.128 -1.852 -11.317 1.00 14.21 C ATOM 0 H TRP A 61 19.899 1.117 -12.292 1.00 25.50 H new ATOM 0 HA TRP A 61 17.821 2.254 -13.800 1.00 53.10 H new ATOM 0 HB2 TRP A 61 18.438 -0.153 -13.342 1.00 73.51 H new ATOM 0 HB3 TRP A 61 17.860 0.060 -11.702 1.00 73.51 H new ATOM 0 HD1 TRP A 61 16.317 0.467 -15.276 1.00 42.15 H new ATOM 0 HE1 TRP A 61 13.928 -0.526 -15.213 1.00 32.14 H new ATOM 0 HE3 TRP A 61 16.195 -0.772 -10.362 1.00 14.14 H new ATOM 0 HZ2 TRP A 61 12.269 -1.726 -13.263 1.00 50.23 H new ATOM 0 HZ3 TRP A 61 14.191 -1.858 -9.455 1.00 4.34 H new ATOM 0 HH2 TRP A 61 12.260 -2.335 -10.892 1.00 14.21 H new ATOM 867 N PHE A 62 17.357 2.475 -10.528 1.00 22.33 N ATOM 868 CA PHE A 62 16.596 3.246 -9.555 1.00 3.24 C ATOM 869 C PHE A 62 17.171 4.623 -9.191 1.00 44.02 C ATOM 870 O PHE A 62 16.405 5.538 -8.930 1.00 23.53 O ATOM 871 CB PHE A 62 16.070 2.445 -8.337 1.00 14.02 C ATOM 872 CG PHE A 62 16.953 1.378 -7.815 1.00 74.41 C ATOM 873 CD1 PHE A 62 18.126 1.662 -7.138 1.00 72.02 C ATOM 874 CD2 PHE A 62 16.607 0.068 -8.034 1.00 42.25 C ATOM 875 CE1 PHE A 62 18.931 0.632 -6.693 1.00 51.44 C ATOM 876 CE2 PHE A 62 17.398 -0.951 -7.611 1.00 23.14 C ATOM 877 CZ PHE A 62 18.556 -0.682 -6.942 1.00 1.40 C ATOM 0 H PHE A 62 17.995 1.786 -10.131 1.00 22.33 H new ATOM 0 HA PHE A 62 15.699 3.487 -10.126 1.00 3.24 H new ATOM 0 HB2 PHE A 62 15.869 3.147 -7.528 1.00 14.02 H new ATOM 0 HB3 PHE A 62 15.116 1.994 -8.612 1.00 14.02 H new ATOM 0 HD1 PHE A 62 18.412 2.688 -6.958 1.00 72.02 H new ATOM 0 HD2 PHE A 62 15.687 -0.157 -8.553 1.00 42.25 H new ATOM 0 HE1 PHE A 62 19.844 0.846 -6.156 1.00 51.44 H new ATOM 0 HE2 PHE A 62 17.111 -1.974 -7.804 1.00 23.14 H new ATOM 0 HZ PHE A 62 19.184 -1.494 -6.605 1.00 1.40 H new ATOM 887 N ARG A 63 18.507 4.798 -9.241 1.00 22.41 N ATOM 888 CA ARG A 63 19.171 6.102 -8.884 1.00 14.54 C ATOM 889 C ARG A 63 18.511 7.303 -9.547 1.00 2.05 C ATOM 890 O ARG A 63 18.363 8.350 -8.919 1.00 63.41 O ATOM 891 CB ARG A 63 20.678 6.122 -9.232 1.00 50.52 C ATOM 892 CG ARG A 63 21.611 5.374 -8.273 1.00 55.03 C ATOM 893 CD ARG A 63 21.695 6.037 -6.902 1.00 12.33 C ATOM 894 NE ARG A 63 22.130 7.452 -6.991 1.00 15.12 N ATOM 895 CZ ARG A 63 23.202 7.989 -6.368 1.00 33.44 C ATOM 896 NH1 ARG A 63 24.024 7.225 -5.641 1.00 62.51 N ATOM 897 NH2 ARG A 63 23.453 9.299 -6.488 1.00 74.21 N ATOM 0 H ARG A 63 19.159 4.066 -9.522 1.00 22.41 H new ATOM 0 HA ARG A 63 19.051 6.179 -7.803 1.00 14.54 H new ATOM 0 HB2 ARG A 63 20.804 5.700 -10.229 1.00 50.52 H new ATOM 0 HB3 ARG A 63 21.003 7.161 -9.283 1.00 50.52 H new ATOM 0 HG2 ARG A 63 21.260 4.349 -8.156 1.00 55.03 H new ATOM 0 HG3 ARG A 63 22.609 5.322 -8.709 1.00 55.03 H new ATOM 0 HD2 ARG A 63 20.721 5.988 -6.416 1.00 12.33 H new ATOM 0 HD3 ARG A 63 22.393 5.483 -6.274 1.00 12.33 H new ATOM 0 HE ARG A 63 21.571 8.075 -7.574 1.00 15.12 H new ATOM 0 HH11 ARG A 63 23.845 6.225 -5.552 1.00 62.51 H new ATOM 0 HH12 ARG A 63 24.830 7.642 -5.176 1.00 62.51 H new ATOM 0 HH21 ARG A 63 22.836 9.887 -7.048 1.00 74.21 H new ATOM 0 HH22 ARG A 63 24.261 9.708 -6.019 1.00 74.21 H new ATOM 911 N LYS A 64 18.069 7.122 -10.785 1.00 33.11 N ATOM 912 CA LYS A 64 17.449 8.189 -11.568 1.00 11.22 C ATOM 913 C LYS A 64 16.077 8.655 -11.016 1.00 55.43 C ATOM 914 O LYS A 64 15.522 9.631 -11.481 1.00 75.11 O ATOM 915 CB LYS A 64 17.446 7.833 -13.082 1.00 12.03 C ATOM 916 CG LYS A 64 16.611 6.631 -13.504 1.00 24.42 C ATOM 917 CD LYS A 64 15.156 7.009 -13.634 1.00 53.31 C ATOM 918 CE LYS A 64 14.282 5.839 -14.101 1.00 34.24 C ATOM 919 NZ LYS A 64 14.160 4.772 -13.077 1.00 42.02 N ATOM 0 H LYS A 64 18.129 6.231 -11.277 1.00 33.11 H new ATOM 0 HA LYS A 64 18.072 9.076 -11.458 1.00 11.22 H new ATOM 0 HB2 LYS A 64 17.092 8.703 -13.635 1.00 12.03 H new ATOM 0 HB3 LYS A 64 18.476 7.656 -13.391 1.00 12.03 H new ATOM 0 HG2 LYS A 64 16.977 6.244 -14.455 1.00 24.42 H new ATOM 0 HG3 LYS A 64 16.720 5.832 -12.771 1.00 24.42 H new ATOM 0 HD2 LYS A 64 14.791 7.369 -12.672 1.00 53.31 H new ATOM 0 HD3 LYS A 64 15.060 7.834 -14.340 1.00 53.31 H new ATOM 0 HE2 LYS A 64 13.289 6.211 -14.353 1.00 34.24 H new ATOM 0 HE3 LYS A 64 14.705 5.416 -15.012 1.00 34.24 H new ATOM 0 HZ1 LYS A 64 13.646 3.962 -13.479 1.00 42.02 H new ATOM 0 HZ2 LYS A 64 15.108 4.466 -12.779 1.00 42.02 H new ATOM 0 HZ3 LYS A 64 13.640 5.138 -12.254 1.00 42.02 H new ATOM 933 N ASN A 65 15.544 7.932 -10.036 1.00 20.00 N ATOM 934 CA ASN A 65 14.277 8.308 -9.382 1.00 10.21 C ATOM 935 C ASN A 65 14.501 8.954 -8.034 1.00 73.40 C ATOM 936 O ASN A 65 13.546 9.326 -7.344 1.00 74.32 O ATOM 937 CB ASN A 65 13.336 7.114 -9.229 1.00 50.14 C ATOM 938 CG ASN A 65 12.431 6.936 -10.414 1.00 63.15 C ATOM 939 OD1 ASN A 65 12.786 6.283 -11.386 1.00 4.14 O ATOM 940 ND2 ASN A 65 11.238 7.456 -10.321 1.00 44.31 N ATOM 0 H ASN A 65 15.965 7.078 -9.670 1.00 20.00 H new ATOM 0 HA ASN A 65 13.807 9.039 -10.040 1.00 10.21 H new ATOM 0 HB2 ASN A 65 13.925 6.208 -9.087 1.00 50.14 H new ATOM 0 HB3 ASN A 65 12.732 7.245 -8.331 1.00 50.14 H new ATOM 0 HD21 ASN A 65 10.564 7.324 -11.075 1.00 44.31 H new ATOM 0 HD22 ASN A 65 10.979 7.994 -9.494 1.00 44.31 H new ATOM 947 N GLY A 66 15.745 9.094 -7.646 1.00 31.33 N ATOM 948 CA GLY A 66 16.033 9.717 -6.379 1.00 62.33 C ATOM 949 C GLY A 66 16.227 8.720 -5.252 1.00 54.53 C ATOM 950 O GLY A 66 15.705 8.904 -4.148 1.00 24.24 O ATOM 0 H GLY A 66 16.561 8.791 -8.178 1.00 31.33 H new ATOM 0 HA2 GLY A 66 16.933 10.325 -6.477 1.00 62.33 H new ATOM 0 HA3 GLY A 66 15.218 10.393 -6.121 1.00 62.33 H new ATOM 954 N TYR A 67 16.910 7.645 -5.544 1.00 64.31 N ATOM 955 CA TYR A 67 17.309 6.693 -4.528 1.00 40.12 C ATOM 956 C TYR A 67 18.744 7.026 -4.151 1.00 65.22 C ATOM 957 O TYR A 67 19.541 7.391 -5.024 1.00 75.41 O ATOM 958 CB TYR A 67 17.173 5.247 -5.037 1.00 33.42 C ATOM 959 CG TYR A 67 15.734 4.773 -5.238 1.00 22.44 C ATOM 960 CD1 TYR A 67 15.079 4.937 -6.445 1.00 42.31 C ATOM 961 CD2 TYR A 67 15.045 4.146 -4.219 1.00 62.03 C ATOM 962 CE1 TYR A 67 13.788 4.495 -6.633 1.00 54.41 C ATOM 963 CE2 TYR A 67 13.749 3.699 -4.408 1.00 64.44 C ATOM 964 CZ TYR A 67 13.129 3.879 -5.611 1.00 61.43 C ATOM 965 OH TYR A 67 11.846 3.422 -5.798 1.00 34.13 O ATOM 0 H TYR A 67 17.207 7.400 -6.489 1.00 64.31 H new ATOM 0 HA TYR A 67 16.662 6.764 -3.653 1.00 40.12 H new ATOM 0 HB2 TYR A 67 17.706 5.158 -5.984 1.00 33.42 H new ATOM 0 HB3 TYR A 67 17.666 4.580 -4.330 1.00 33.42 H new ATOM 0 HD1 TYR A 67 15.593 5.424 -7.261 1.00 42.31 H new ATOM 0 HD2 TYR A 67 15.524 4.002 -3.262 1.00 62.03 H new ATOM 0 HE1 TYR A 67 13.300 4.636 -7.586 1.00 54.41 H new ATOM 0 HE2 TYR A 67 13.226 3.206 -3.601 1.00 64.44 H new ATOM 0 HH TYR A 67 11.821 2.828 -6.577 1.00 34.13 H new ATOM 975 N ARG A 68 19.085 6.932 -2.886 1.00 41.21 N ATOM 976 CA ARG A 68 20.390 7.393 -2.426 1.00 55.41 C ATOM 977 C ARG A 68 21.248 6.243 -1.956 1.00 74.41 C ATOM 978 O ARG A 68 21.155 5.827 -0.817 1.00 40.34 O ATOM 979 CB ARG A 68 20.222 8.391 -1.295 1.00 53.52 C ATOM 980 CG ARG A 68 19.455 9.650 -1.668 1.00 33.23 C ATOM 981 CD ARG A 68 19.212 10.527 -0.449 1.00 62.33 C ATOM 982 NE ARG A 68 18.327 9.878 0.539 1.00 54.33 N ATOM 983 CZ ARG A 68 18.222 10.219 1.835 1.00 73.21 C ATOM 984 NH1 ARG A 68 19.025 11.158 2.355 1.00 71.33 N ATOM 985 NH2 ARG A 68 17.328 9.610 2.604 1.00 61.51 N ATOM 0 H ARG A 68 18.487 6.545 -2.156 1.00 41.21 H new ATOM 0 HA ARG A 68 20.888 7.871 -3.270 1.00 55.41 H new ATOM 0 HB2 ARG A 68 19.708 7.900 -0.469 1.00 53.52 H new ATOM 0 HB3 ARG A 68 21.209 8.677 -0.931 1.00 53.52 H new ATOM 0 HG2 ARG A 68 20.014 10.211 -2.417 1.00 33.23 H new ATOM 0 HG3 ARG A 68 18.501 9.378 -2.119 1.00 33.23 H new ATOM 0 HD2 ARG A 68 20.166 10.764 0.021 1.00 62.33 H new ATOM 0 HD3 ARG A 68 18.769 11.471 -0.766 1.00 62.33 H new ATOM 0 HE ARG A 68 17.747 9.106 0.210 1.00 54.33 H new ATOM 0 HH11 ARG A 68 19.720 11.618 1.767 1.00 71.33 H new ATOM 0 HH12 ARG A 68 18.941 11.413 3.339 1.00 71.33 H new ATOM 0 HH21 ARG A 68 16.725 8.887 2.211 1.00 61.51 H new ATOM 0 HH22 ARG A 68 17.244 9.865 3.588 1.00 61.51 H new ATOM 999 N LEU A 69 22.062 5.726 -2.841 1.00 2.12 N ATOM 1000 CA LEU A 69 22.903 4.591 -2.523 1.00 45.13 C ATOM 1001 C LEU A 69 24.058 4.475 -3.465 1.00 3.13 C ATOM 1002 O LEU A 69 23.925 4.707 -4.684 1.00 31.12 O ATOM 1003 CB LEU A 69 22.087 3.256 -2.378 1.00 52.23 C ATOM 1004 CG LEU A 69 21.270 2.708 -3.590 1.00 22.32 C ATOM 1005 CD1 LEU A 69 20.548 1.441 -3.191 1.00 45.30 C ATOM 1006 CD2 LEU A 69 20.244 3.702 -4.101 1.00 5.45 C ATOM 0 H LEU A 69 22.163 6.073 -3.795 1.00 2.12 H new ATOM 0 HA LEU A 69 23.329 4.778 -1.537 1.00 45.13 H new ATOM 0 HB2 LEU A 69 22.789 2.477 -2.081 1.00 52.23 H new ATOM 0 HB3 LEU A 69 21.390 3.390 -1.551 1.00 52.23 H new ATOM 0 HG LEU A 69 21.986 2.517 -4.389 1.00 22.32 H new ATOM 0 HD11 LEU A 69 19.980 1.063 -4.041 1.00 45.30 H new ATOM 0 HD12 LEU A 69 21.275 0.691 -2.878 1.00 45.30 H new ATOM 0 HD13 LEU A 69 19.868 1.654 -2.366 1.00 45.30 H new ATOM 0 HD21 LEU A 69 19.705 3.268 -4.944 1.00 5.45 H new ATOM 0 HD22 LEU A 69 19.540 3.940 -3.304 1.00 5.45 H new ATOM 0 HD23 LEU A 69 20.749 4.613 -4.423 1.00 5.45 H new ATOM 1018 N THR A 70 25.196 4.213 -2.884 1.00 72.34 N ATOM 1019 CA THR A 70 26.416 4.001 -3.583 1.00 12.51 C ATOM 1020 C THR A 70 26.533 2.473 -3.718 1.00 23.31 C ATOM 1021 O THR A 70 25.651 1.779 -3.264 1.00 40.30 O ATOM 1022 CB THR A 70 27.584 4.626 -2.764 1.00 24.43 C ATOM 1023 OG1 THR A 70 27.174 5.932 -2.314 1.00 40.34 O ATOM 1024 CG2 THR A 70 28.847 4.796 -3.608 1.00 74.41 C ATOM 0 H THR A 70 25.294 4.140 -1.871 1.00 72.34 H new ATOM 0 HA THR A 70 26.450 4.470 -4.567 1.00 12.51 H new ATOM 0 HB THR A 70 27.810 3.957 -1.933 1.00 24.43 H new ATOM 0 HG1 THR A 70 27.897 6.341 -1.794 1.00 40.34 H new ATOM 0 HG21 THR A 70 29.636 5.235 -2.998 1.00 74.41 H new ATOM 0 HG22 THR A 70 29.172 3.823 -3.976 1.00 74.41 H new ATOM 0 HG23 THR A 70 28.635 5.451 -4.453 1.00 74.41 H new ATOM 1032 N LEU A 71 27.578 1.954 -4.294 1.00 23.41 N ATOM 1033 CA LEU A 71 27.597 0.537 -4.630 1.00 61.21 C ATOM 1034 C LEU A 71 27.881 -0.373 -3.452 1.00 51.00 C ATOM 1035 O LEU A 71 27.264 -1.424 -3.298 1.00 20.11 O ATOM 1036 CB LEU A 71 28.574 0.205 -5.758 1.00 53.14 C ATOM 1037 CG LEU A 71 28.466 1.027 -7.049 1.00 55.35 C ATOM 1038 CD1 LEU A 71 27.038 1.245 -7.418 1.00 43.45 C ATOM 1039 CD2 LEU A 71 29.158 2.334 -6.928 1.00 45.43 C ATOM 0 H LEU A 71 28.422 2.470 -4.543 1.00 23.41 H new ATOM 0 HA LEU A 71 26.579 0.343 -4.968 1.00 61.21 H new ATOM 0 HB2 LEU A 71 29.587 0.317 -5.371 1.00 53.14 H new ATOM 0 HB3 LEU A 71 28.446 -0.846 -6.016 1.00 53.14 H new ATOM 0 HG LEU A 71 28.957 0.454 -7.836 1.00 55.35 H new ATOM 0 HD11 LEU A 71 26.985 1.830 -8.336 1.00 43.45 H new ATOM 0 HD12 LEU A 71 26.551 0.282 -7.572 1.00 43.45 H new ATOM 0 HD13 LEU A 71 26.533 1.783 -6.616 1.00 43.45 H new ATOM 0 HD21 LEU A 71 29.059 2.886 -7.863 1.00 45.43 H new ATOM 0 HD22 LEU A 71 28.710 2.909 -6.117 1.00 45.43 H new ATOM 0 HD23 LEU A 71 30.214 2.168 -6.715 1.00 45.43 H new ATOM 1051 N ARG A 72 28.780 0.069 -2.607 1.00 11.42 N ATOM 1052 CA ARG A 72 29.327 -0.730 -1.515 1.00 43.50 C ATOM 1053 C ARG A 72 28.244 -1.091 -0.498 1.00 42.14 C ATOM 1054 O ARG A 72 28.315 -2.128 0.132 1.00 11.34 O ATOM 1055 CB ARG A 72 30.462 0.043 -0.829 1.00 40.42 C ATOM 1056 CG ARG A 72 29.969 1.304 -0.179 1.00 21.32 C ATOM 1057 CD ARG A 72 30.979 2.059 0.630 1.00 72.45 C ATOM 1058 NE ARG A 72 30.283 3.155 1.306 1.00 55.31 N ATOM 1059 CZ ARG A 72 30.812 4.138 2.014 1.00 4.33 C ATOM 1060 NH1 ARG A 72 32.140 4.241 2.159 1.00 5.22 N ATOM 1061 NH2 ARG A 72 29.997 5.024 2.580 1.00 1.02 N ATOM 0 H ARG A 72 29.166 1.012 -2.652 1.00 11.42 H new ATOM 0 HA ARG A 72 29.719 -1.659 -1.930 1.00 43.50 H new ATOM 0 HB2 ARG A 72 30.932 -0.592 -0.078 1.00 40.42 H new ATOM 0 HB3 ARG A 72 31.229 0.289 -1.563 1.00 40.42 H new ATOM 0 HG2 ARG A 72 29.586 1.965 -0.956 1.00 21.32 H new ATOM 0 HG3 ARG A 72 29.128 1.052 0.468 1.00 21.32 H new ATOM 0 HD2 ARG A 72 31.454 1.401 1.358 1.00 72.45 H new ATOM 0 HD3 ARG A 72 31.770 2.447 -0.012 1.00 72.45 H new ATOM 0 HE ARG A 72 29.267 3.161 1.220 1.00 55.31 H new ATOM 0 HH11 ARG A 72 32.756 3.556 1.720 1.00 5.22 H new ATOM 0 HH12 ARG A 72 32.535 5.004 2.708 1.00 5.22 H new ATOM 0 HH21 ARG A 72 28.988 4.936 2.463 1.00 1.02 H new ATOM 0 HH22 ARG A 72 30.382 5.791 3.131 1.00 1.02 H new ATOM 1075 N GLU A 73 27.259 -0.216 -0.362 1.00 55.31 N ATOM 1076 CA GLU A 73 26.112 -0.392 0.513 1.00 43.22 C ATOM 1077 C GLU A 73 25.432 -1.718 0.202 1.00 32.54 C ATOM 1078 O GLU A 73 25.227 -2.570 1.077 1.00 62.51 O ATOM 1079 CB GLU A 73 25.117 0.746 0.245 1.00 72.21 C ATOM 1080 CG GLU A 73 25.514 2.157 0.723 1.00 53.14 C ATOM 1081 CD GLU A 73 26.907 2.631 0.347 1.00 52.30 C ATOM 1082 OE1 GLU A 73 27.295 2.473 -0.817 1.00 21.13 O ATOM 1083 OE2 GLU A 73 27.634 3.185 1.214 1.00 32.55 O ATOM 0 H GLU A 73 27.236 0.665 -0.875 1.00 55.31 H new ATOM 0 HA GLU A 73 26.436 -0.383 1.554 1.00 43.22 H new ATOM 0 HB2 GLU A 73 24.937 0.791 -0.829 1.00 72.21 H new ATOM 0 HB3 GLU A 73 24.170 0.484 0.716 1.00 72.21 H new ATOM 0 HG2 GLU A 73 24.792 2.869 0.323 1.00 53.14 H new ATOM 0 HG3 GLU A 73 25.424 2.188 1.809 1.00 53.14 H new ATOM 1090 N LEU A 74 25.164 -1.901 -1.067 1.00 1.44 N ATOM 1091 CA LEU A 74 24.476 -3.091 -1.571 1.00 75.52 C ATOM 1092 C LEU A 74 25.368 -4.329 -1.539 1.00 40.43 C ATOM 1093 O LEU A 74 24.900 -5.424 -1.762 1.00 12.42 O ATOM 1094 CB LEU A 74 23.925 -2.898 -3.001 1.00 14.31 C ATOM 1095 CG LEU A 74 23.004 -1.702 -3.237 1.00 44.50 C ATOM 1096 CD1 LEU A 74 23.803 -0.464 -3.506 1.00 11.20 C ATOM 1097 CD2 LEU A 74 22.019 -1.956 -4.357 1.00 45.12 C ATOM 0 H LEU A 74 25.414 -1.231 -1.794 1.00 1.44 H new ATOM 0 HA LEU A 74 23.635 -3.244 -0.895 1.00 75.52 H new ATOM 0 HB2 LEU A 74 24.772 -2.812 -3.681 1.00 14.31 H new ATOM 0 HB3 LEU A 74 23.383 -3.802 -3.280 1.00 14.31 H new ATOM 0 HG LEU A 74 22.426 -1.554 -2.325 1.00 44.50 H new ATOM 0 HD11 LEU A 74 23.128 0.376 -3.671 1.00 11.20 H new ATOM 0 HD12 LEU A 74 24.444 -0.252 -2.650 1.00 11.20 H new ATOM 0 HD13 LEU A 74 24.419 -0.614 -4.392 1.00 11.20 H new ATOM 0 HD21 LEU A 74 21.385 -1.079 -4.490 1.00 45.12 H new ATOM 0 HD22 LEU A 74 22.562 -2.154 -5.281 1.00 45.12 H new ATOM 0 HD23 LEU A 74 21.400 -2.818 -4.108 1.00 45.12 H new ATOM 1109 N TYR A 75 26.639 -4.141 -1.287 1.00 70.32 N ATOM 1110 CA TYR A 75 27.578 -5.253 -1.191 1.00 2.23 C ATOM 1111 C TYR A 75 27.849 -5.617 0.227 1.00 31.21 C ATOM 1112 O TYR A 75 28.187 -6.754 0.528 1.00 31.13 O ATOM 1113 CB TYR A 75 28.873 -4.929 -1.907 1.00 1.31 C ATOM 1114 CG TYR A 75 28.709 -4.974 -3.375 1.00 32.41 C ATOM 1115 CD1 TYR A 75 28.300 -6.140 -3.991 1.00 12.30 C ATOM 1116 CD2 TYR A 75 28.917 -3.861 -4.141 1.00 40.03 C ATOM 1117 CE1 TYR A 75 28.115 -6.190 -5.345 1.00 70.32 C ATOM 1118 CE2 TYR A 75 28.725 -3.894 -5.497 1.00 74.03 C ATOM 1119 CZ TYR A 75 28.327 -5.065 -6.095 1.00 53.03 C ATOM 1120 OH TYR A 75 28.111 -5.098 -7.443 1.00 74.44 O ATOM 0 H TYR A 75 27.059 -3.223 -1.142 1.00 70.32 H new ATOM 0 HA TYR A 75 27.116 -6.112 -1.677 1.00 2.23 H new ATOM 0 HB2 TYR A 75 29.216 -3.938 -1.609 1.00 1.31 H new ATOM 0 HB3 TYR A 75 29.644 -5.638 -1.605 1.00 1.31 H new ATOM 0 HD1 TYR A 75 28.124 -7.024 -3.396 1.00 12.30 H new ATOM 0 HD2 TYR A 75 29.237 -2.943 -3.671 1.00 40.03 H new ATOM 0 HE1 TYR A 75 27.804 -7.110 -5.819 1.00 70.32 H new ATOM 0 HE2 TYR A 75 28.885 -3.006 -6.091 1.00 74.03 H new ATOM 0 HH TYR A 75 27.984 -6.026 -7.731 1.00 74.44 H new ATOM 1130 N ALA A 76 27.711 -4.657 1.103 1.00 73.42 N ATOM 1131 CA ALA A 76 27.923 -4.912 2.490 1.00 24.21 C ATOM 1132 C ALA A 76 26.708 -5.623 3.067 1.00 44.23 C ATOM 1133 O ALA A 76 26.820 -6.461 3.955 1.00 43.53 O ATOM 1134 CB ALA A 76 28.233 -3.630 3.248 1.00 2.41 C ATOM 0 H ALA A 76 27.453 -3.697 0.875 1.00 73.42 H new ATOM 0 HA ALA A 76 28.792 -5.560 2.601 1.00 24.21 H new ATOM 0 HB1 ALA A 76 28.389 -3.859 4.302 1.00 2.41 H new ATOM 0 HB2 ALA A 76 29.134 -3.174 2.838 1.00 2.41 H new ATOM 0 HB3 ALA A 76 27.398 -2.937 3.147 1.00 2.41 H new ATOM 1140 N ALA A 77 25.549 -5.275 2.548 1.00 12.43 N ATOM 1141 CA ALA A 77 24.326 -5.928 2.924 1.00 63.24 C ATOM 1142 C ALA A 77 23.483 -6.195 1.681 1.00 72.02 C ATOM 1143 O ALA A 77 22.574 -5.426 1.355 1.00 41.54 O ATOM 1144 CB ALA A 77 23.548 -5.108 3.953 1.00 73.20 C ATOM 0 H ALA A 77 25.435 -4.534 1.857 1.00 12.43 H new ATOM 0 HA ALA A 77 24.571 -6.880 3.395 1.00 63.24 H new ATOM 0 HB1 ALA A 77 22.628 -5.631 4.215 1.00 73.20 H new ATOM 0 HB2 ALA A 77 24.157 -4.974 4.847 1.00 73.20 H new ATOM 0 HB3 ALA A 77 23.303 -4.133 3.531 1.00 73.20 H new ATOM 1150 N PRO A 78 23.811 -7.239 0.915 1.00 23.10 N ATOM 1151 CA PRO A 78 23.085 -7.575 -0.285 1.00 10.11 C ATOM 1152 C PRO A 78 21.894 -8.456 0.011 1.00 52.45 C ATOM 1153 O PRO A 78 22.004 -9.677 0.019 1.00 63.42 O ATOM 1154 CB PRO A 78 24.118 -8.345 -1.136 1.00 40.32 C ATOM 1155 CG PRO A 78 25.360 -8.420 -0.290 1.00 51.13 C ATOM 1156 CD PRO A 78 24.929 -8.155 1.119 1.00 53.43 C ATOM 0 HA PRO A 78 22.685 -6.691 -0.782 1.00 10.11 H new ATOM 0 HB2 PRO A 78 23.754 -9.341 -1.388 1.00 40.32 H new ATOM 0 HB3 PRO A 78 24.314 -7.830 -2.076 1.00 40.32 H new ATOM 0 HG2 PRO A 78 25.829 -9.400 -0.375 1.00 51.13 H new ATOM 0 HG3 PRO A 78 26.096 -7.685 -0.615 1.00 51.13 H new ATOM 0 HD2 PRO A 78 24.624 -9.067 1.633 1.00 53.43 H new ATOM 0 HD3 PRO A 78 25.724 -7.705 1.713 1.00 53.43 H new ATOM 1164 N THR A 79 20.780 -7.837 0.304 1.00 1.22 N ATOM 1165 CA THR A 79 19.545 -8.528 0.582 1.00 72.40 C ATOM 1166 C THR A 79 18.422 -7.638 0.095 1.00 31.50 C ATOM 1167 O THR A 79 18.458 -6.433 0.332 1.00 15.31 O ATOM 1168 CB THR A 79 19.348 -8.773 2.124 1.00 32.23 C ATOM 1169 OG1 THR A 79 19.416 -7.528 2.827 1.00 64.35 O ATOM 1170 CG2 THR A 79 20.392 -9.714 2.706 1.00 3.40 C ATOM 0 H THR A 79 20.703 -6.821 0.357 1.00 1.22 H new ATOM 0 HA THR A 79 19.557 -9.499 0.086 1.00 72.40 H new ATOM 0 HB THR A 79 18.369 -9.237 2.245 1.00 32.23 H new ATOM 0 HG1 THR A 79 19.291 -7.687 3.786 1.00 64.35 H new ATOM 0 HG21 THR A 79 20.208 -9.847 3.772 1.00 3.40 H new ATOM 0 HG22 THR A 79 20.332 -10.680 2.204 1.00 3.40 H new ATOM 0 HG23 THR A 79 21.386 -9.290 2.559 1.00 3.40 H new ATOM 1178 N LEU A 80 17.424 -8.191 -0.560 1.00 43.55 N ATOM 1179 CA LEU A 80 16.300 -7.377 -1.014 1.00 0.21 C ATOM 1180 C LEU A 80 15.515 -6.921 0.163 1.00 35.12 C ATOM 1181 O LEU A 80 14.824 -5.916 0.114 1.00 1.24 O ATOM 1182 CB LEU A 80 15.422 -8.122 -1.990 1.00 21.04 C ATOM 1183 CG LEU A 80 16.110 -8.492 -3.273 1.00 41.23 C ATOM 1184 CD1 LEU A 80 15.159 -9.183 -4.199 1.00 61.14 C ATOM 1185 CD2 LEU A 80 16.666 -7.262 -3.965 1.00 30.25 C ATOM 0 H LEU A 80 17.360 -9.183 -0.791 1.00 43.55 H new ATOM 0 HA LEU A 80 16.696 -6.511 -1.545 1.00 0.21 H new ATOM 0 HB2 LEU A 80 15.055 -9.030 -1.512 1.00 21.04 H new ATOM 0 HB3 LEU A 80 14.551 -7.508 -2.221 1.00 21.04 H new ATOM 0 HG LEU A 80 16.931 -9.164 -3.024 1.00 41.23 H new ATOM 0 HD11 LEU A 80 15.675 -9.443 -5.123 1.00 61.14 H new ATOM 0 HD12 LEU A 80 14.784 -10.090 -3.725 1.00 61.14 H new ATOM 0 HD13 LEU A 80 14.324 -8.520 -4.425 1.00 61.14 H new ATOM 0 HD21 LEU A 80 17.159 -7.557 -4.891 1.00 30.25 H new ATOM 0 HD22 LEU A 80 15.852 -6.573 -4.191 1.00 30.25 H new ATOM 0 HD23 LEU A 80 17.387 -6.771 -3.311 1.00 30.25 H new ATOM 1197 N ALA A 81 15.636 -7.676 1.216 1.00 4.41 N ATOM 1198 CA ALA A 81 15.053 -7.331 2.501 1.00 71.01 C ATOM 1199 C ALA A 81 15.544 -5.941 2.961 1.00 32.33 C ATOM 1200 O ALA A 81 14.739 -5.046 3.202 1.00 65.42 O ATOM 1201 CB ALA A 81 15.394 -8.390 3.539 1.00 63.01 C ATOM 0 H ALA A 81 16.145 -8.560 1.217 1.00 4.41 H new ATOM 0 HA ALA A 81 13.969 -7.293 2.391 1.00 71.01 H new ATOM 0 HB1 ALA A 81 14.950 -8.117 4.496 1.00 63.01 H new ATOM 0 HB2 ALA A 81 15.000 -9.354 3.218 1.00 63.01 H new ATOM 0 HB3 ALA A 81 16.476 -8.458 3.647 1.00 63.01 H new ATOM 1207 N ALA A 82 16.865 -5.754 3.028 1.00 21.02 N ATOM 1208 CA ALA A 82 17.425 -4.470 3.458 1.00 42.32 C ATOM 1209 C ALA A 82 17.324 -3.430 2.358 1.00 13.04 C ATOM 1210 O ALA A 82 17.059 -2.265 2.627 1.00 2.52 O ATOM 1211 CB ALA A 82 18.866 -4.621 3.920 1.00 5.13 C ATOM 0 H ALA A 82 17.558 -6.464 2.794 1.00 21.02 H new ATOM 0 HA ALA A 82 16.833 -4.126 4.306 1.00 42.32 H new ATOM 0 HB1 ALA A 82 19.252 -3.650 4.232 1.00 5.13 H new ATOM 0 HB2 ALA A 82 18.908 -5.315 4.759 1.00 5.13 H new ATOM 0 HB3 ALA A 82 19.473 -5.006 3.100 1.00 5.13 H new ATOM 1217 N TRP A 83 17.502 -3.856 1.106 1.00 44.10 N ATOM 1218 CA TRP A 83 17.404 -2.924 -0.022 1.00 42.20 C ATOM 1219 C TRP A 83 16.015 -2.332 -0.095 1.00 25.13 C ATOM 1220 O TRP A 83 15.871 -1.217 -0.460 1.00 43.23 O ATOM 1221 CB TRP A 83 17.747 -3.574 -1.373 1.00 42.32 C ATOM 1222 CG TRP A 83 19.156 -4.089 -1.513 1.00 32.51 C ATOM 1223 CD1 TRP A 83 20.145 -4.090 -0.570 1.00 10.52 C ATOM 1224 CD2 TRP A 83 19.723 -4.684 -2.684 1.00 71.32 C ATOM 1225 NE1 TRP A 83 21.270 -4.684 -1.070 1.00 1.30 N ATOM 1226 CE2 TRP A 83 21.042 -5.048 -2.372 1.00 25.51 C ATOM 1227 CE3 TRP A 83 19.234 -4.950 -3.966 1.00 72.13 C ATOM 1228 CZ2 TRP A 83 21.878 -5.668 -3.296 1.00 72.04 C ATOM 1229 CZ3 TRP A 83 20.065 -5.559 -4.882 1.00 24.32 C ATOM 1230 CH2 TRP A 83 21.373 -5.913 -4.542 1.00 12.34 C ATOM 0 H TRP A 83 17.711 -4.821 0.849 1.00 44.10 H new ATOM 0 HA TRP A 83 18.141 -2.143 0.163 1.00 42.20 H new ATOM 0 HB2 TRP A 83 17.059 -4.402 -1.542 1.00 42.32 H new ATOM 0 HB3 TRP A 83 17.567 -2.844 -2.162 1.00 42.32 H new ATOM 0 HD1 TRP A 83 20.051 -3.681 0.425 1.00 10.52 H new ATOM 0 HE1 TRP A 83 22.139 -4.833 -0.557 1.00 1.30 H new ATOM 0 HE3 TRP A 83 18.223 -4.683 -4.234 1.00 72.13 H new ATOM 0 HZ2 TRP A 83 22.889 -5.945 -3.038 1.00 72.04 H new ATOM 0 HZ3 TRP A 83 19.699 -5.765 -5.877 1.00 24.32 H new ATOM 0 HH2 TRP A 83 21.999 -6.391 -5.281 1.00 12.34 H new ATOM 1241 N ASN A 84 15.000 -3.096 0.297 1.00 53.33 N ATOM 1242 CA ASN A 84 13.598 -2.621 0.290 1.00 4.14 C ATOM 1243 C ASN A 84 13.458 -1.361 1.159 1.00 32.33 C ATOM 1244 O ASN A 84 12.755 -0.414 0.796 1.00 72.11 O ATOM 1245 CB ASN A 84 12.667 -3.703 0.839 1.00 2.13 C ATOM 1246 CG ASN A 84 11.202 -3.335 0.730 1.00 12.14 C ATOM 1247 OD1 ASN A 84 10.788 -2.672 -0.203 1.00 42.04 O ATOM 1248 ND2 ASN A 84 10.419 -3.747 1.691 1.00 71.14 N ATOM 0 H ASN A 84 15.112 -4.054 0.628 1.00 53.33 H new ATOM 0 HA ASN A 84 13.324 -2.390 -0.739 1.00 4.14 H new ATOM 0 HB2 ASN A 84 12.843 -4.634 0.300 1.00 2.13 H new ATOM 0 HB3 ASN A 84 12.912 -3.889 1.885 1.00 2.13 H new ATOM 0 HD21 ASN A 84 9.426 -3.515 1.675 1.00 71.14 H new ATOM 0 HD22 ASN A 84 10.801 -4.301 2.458 1.00 71.14 H new ATOM 1255 N GLN A 85 14.172 -1.349 2.276 1.00 14.41 N ATOM 1256 CA GLN A 85 14.181 -0.208 3.190 1.00 73.34 C ATOM 1257 C GLN A 85 14.846 0.970 2.472 1.00 1.30 C ATOM 1258 O GLN A 85 14.318 2.087 2.424 1.00 15.55 O ATOM 1259 CB GLN A 85 14.936 -0.587 4.474 1.00 50.41 C ATOM 1260 CG GLN A 85 14.366 -1.827 5.168 1.00 20.05 C ATOM 1261 CD GLN A 85 12.911 -1.675 5.616 1.00 33.01 C ATOM 1262 OE1 GLN A 85 12.150 -2.649 5.609 1.00 0.22 O ATOM 1263 NE2 GLN A 85 12.533 -0.507 6.068 1.00 13.10 N ATOM 0 H GLN A 85 14.761 -2.126 2.576 1.00 14.41 H new ATOM 0 HA GLN A 85 13.168 0.076 3.475 1.00 73.34 H new ATOM 0 HB2 GLN A 85 15.984 -0.764 4.232 1.00 50.41 H new ATOM 0 HB3 GLN A 85 14.906 0.254 5.166 1.00 50.41 H new ATOM 0 HG2 GLN A 85 14.440 -2.677 4.489 1.00 20.05 H new ATOM 0 HG3 GLN A 85 14.981 -2.059 6.038 1.00 20.05 H new ATOM 0 HE21 GLN A 85 13.184 0.278 6.061 1.00 13.10 H new ATOM 0 HE22 GLN A 85 11.587 -0.381 6.428 1.00 13.10 H new ATOM 1272 N LEU A 86 15.968 0.674 1.837 1.00 4.45 N ATOM 1273 CA LEU A 86 16.674 1.615 0.970 1.00 22.34 C ATOM 1274 C LEU A 86 15.759 2.173 -0.126 1.00 24.21 C ATOM 1275 O LEU A 86 15.875 3.342 -0.513 1.00 44.22 O ATOM 1276 CB LEU A 86 17.859 0.909 0.311 1.00 41.11 C ATOM 1277 CG LEU A 86 19.192 1.016 1.015 1.00 72.13 C ATOM 1278 CD1 LEU A 86 20.123 -0.073 0.525 1.00 3.22 C ATOM 1279 CD2 LEU A 86 19.789 2.347 0.669 1.00 72.11 C ATOM 0 H LEU A 86 16.423 -0.236 1.907 1.00 4.45 H new ATOM 0 HA LEU A 86 17.015 2.445 1.589 1.00 22.34 H new ATOM 0 HB2 LEU A 86 17.612 -0.148 0.210 1.00 41.11 H new ATOM 0 HB3 LEU A 86 17.974 1.307 -0.697 1.00 41.11 H new ATOM 0 HG LEU A 86 19.054 0.913 2.091 1.00 72.13 H new ATOM 0 HD11 LEU A 86 21.082 0.010 1.037 1.00 3.22 H new ATOM 0 HD12 LEU A 86 19.684 -1.048 0.734 1.00 3.22 H new ATOM 0 HD13 LEU A 86 20.275 0.034 -0.549 1.00 3.22 H new ATOM 0 HD21 LEU A 86 20.754 2.453 1.164 1.00 72.11 H new ATOM 0 HD22 LEU A 86 19.926 2.415 -0.410 1.00 72.11 H new ATOM 0 HD23 LEU A 86 19.122 3.142 1.001 1.00 72.11 H new ATOM 1291 N MET A 87 14.839 1.343 -0.586 1.00 3.30 N ATOM 1292 CA MET A 87 13.956 1.688 -1.680 1.00 42.35 C ATOM 1293 C MET A 87 12.802 2.579 -1.233 1.00 63.31 C ATOM 1294 O MET A 87 12.779 3.772 -1.522 1.00 10.43 O ATOM 1295 CB MET A 87 13.343 0.407 -2.288 1.00 22.11 C ATOM 1296 CG MET A 87 14.340 -0.606 -2.819 1.00 74.04 C ATOM 1297 SD MET A 87 15.221 -0.067 -4.264 1.00 65.42 S ATOM 1298 CE MET A 87 13.851 -0.076 -5.385 1.00 44.34 C ATOM 0 H MET A 87 14.685 0.408 -0.208 1.00 3.30 H new ATOM 0 HA MET A 87 14.561 2.226 -2.410 1.00 42.35 H new ATOM 0 HB2 MET A 87 12.729 -0.077 -1.528 1.00 22.11 H new ATOM 0 HB3 MET A 87 12.676 0.695 -3.101 1.00 22.11 H new ATOM 0 HG2 MET A 87 15.059 -0.838 -2.034 1.00 74.04 H new ATOM 0 HG3 MET A 87 13.813 -1.531 -3.052 1.00 74.04 H new ATOM 0 HE1 MET A 87 14.220 -0.062 -6.411 1.00 44.34 H new ATOM 0 HE2 MET A 87 13.256 -0.975 -5.225 1.00 44.34 H new ATOM 0 HE3 MET A 87 13.232 0.804 -5.210 1.00 44.34 H new ATOM 1308 N LEU A 88 11.924 2.048 -0.419 1.00 13.53 N ATOM 1309 CA LEU A 88 10.697 2.752 -0.140 1.00 51.32 C ATOM 1310 C LEU A 88 10.698 3.692 1.023 1.00 21.22 C ATOM 1311 O LEU A 88 9.824 4.548 1.128 1.00 44.42 O ATOM 1312 CB LEU A 88 9.486 1.881 -0.249 1.00 24.13 C ATOM 1313 CG LEU A 88 9.553 0.523 0.359 1.00 33.32 C ATOM 1314 CD1 LEU A 88 9.497 0.598 1.864 1.00 52.32 C ATOM 1315 CD2 LEU A 88 8.450 -0.289 -0.230 1.00 50.42 C ATOM 0 H LEU A 88 12.031 1.150 0.053 1.00 13.53 H new ATOM 0 HA LEU A 88 10.629 3.463 -0.963 1.00 51.32 H new ATOM 0 HB2 LEU A 88 8.649 2.411 0.206 1.00 24.13 H new ATOM 0 HB3 LEU A 88 9.251 1.764 -1.307 1.00 24.13 H new ATOM 0 HG LEU A 88 10.504 0.041 0.134 1.00 33.32 H new ATOM 0 HD11 LEU A 88 9.548 -0.408 2.281 1.00 52.32 H new ATOM 0 HD12 LEU A 88 10.339 1.185 2.231 1.00 52.32 H new ATOM 0 HD13 LEU A 88 8.564 1.071 2.170 1.00 52.32 H new ATOM 0 HD21 LEU A 88 8.470 -1.293 0.195 1.00 50.42 H new ATOM 0 HD22 LEU A 88 7.492 0.181 -0.006 1.00 50.42 H new ATOM 0 HD23 LEU A 88 8.580 -0.350 -1.311 1.00 50.42 H new ATOM 1327 N SER A 89 11.666 3.558 1.878 1.00 20.02 N ATOM 1328 CA SER A 89 11.850 4.523 2.942 1.00 42.15 C ATOM 1329 C SER A 89 12.714 5.672 2.391 1.00 23.04 C ATOM 1330 O SER A 89 12.896 6.710 3.022 1.00 45.30 O ATOM 1331 CB SER A 89 12.544 3.864 4.121 1.00 1.14 C ATOM 1332 OG SER A 89 11.900 2.662 4.502 1.00 35.54 O ATOM 0 H SER A 89 12.344 2.796 1.868 1.00 20.02 H new ATOM 0 HA SER A 89 10.888 4.905 3.283 1.00 42.15 H new ATOM 0 HB2 SER A 89 13.582 3.655 3.862 1.00 1.14 H new ATOM 0 HB3 SER A 89 12.559 4.553 4.966 1.00 1.14 H new ATOM 0 HG SER A 89 12.492 2.144 5.086 1.00 35.54 H new ATOM 1338 N ARG A 90 13.232 5.442 1.183 1.00 73.53 N ATOM 1339 CA ARG A 90 14.080 6.365 0.454 1.00 52.53 C ATOM 1340 C ARG A 90 15.415 6.609 1.076 1.00 4.12 C ATOM 1341 O ARG A 90 15.837 7.749 1.331 1.00 13.34 O ATOM 1342 CB ARG A 90 13.371 7.618 -0.027 1.00 72.33 C ATOM 1343 CG ARG A 90 12.408 7.319 -1.148 1.00 11.11 C ATOM 1344 CD ARG A 90 13.146 6.876 -2.413 1.00 0.14 C ATOM 1345 NE ARG A 90 12.213 6.545 -3.497 1.00 12.25 N ATOM 1346 CZ ARG A 90 12.174 7.134 -4.703 1.00 43.43 C ATOM 1347 NH1 ARG A 90 13.009 8.122 -4.992 1.00 14.24 N ATOM 1348 NH2 ARG A 90 11.324 6.699 -5.628 1.00 5.54 N ATOM 0 H ARG A 90 13.062 4.575 0.674 1.00 73.53 H new ATOM 0 HA ARG A 90 14.320 5.828 -0.464 1.00 52.53 H new ATOM 0 HB2 ARG A 90 12.832 8.073 0.804 1.00 72.33 H new ATOM 0 HB3 ARG A 90 14.108 8.346 -0.365 1.00 72.33 H new ATOM 0 HG2 ARG A 90 11.715 6.537 -0.836 1.00 11.11 H new ATOM 0 HG3 ARG A 90 11.812 8.206 -1.364 1.00 11.11 H new ATOM 0 HD2 ARG A 90 13.817 7.670 -2.740 1.00 0.14 H new ATOM 0 HD3 ARG A 90 13.765 6.008 -2.188 1.00 0.14 H new ATOM 0 HE ARG A 90 11.536 5.803 -3.319 1.00 12.25 H new ATOM 0 HH11 ARG A 90 13.685 8.438 -4.297 1.00 14.24 H new ATOM 0 HH12 ARG A 90 12.975 8.566 -5.910 1.00 14.24 H new ATOM 0 HH21 ARG A 90 10.701 5.918 -5.422 1.00 5.54 H new ATOM 0 HH22 ARG A 90 11.294 7.146 -6.544 1.00 5.54 H new ATOM 1362 N SER A 91 16.045 5.505 1.338 1.00 23.34 N ATOM 1363 CA SER A 91 17.432 5.407 1.769 1.00 74.33 C ATOM 1364 C SER A 91 17.772 6.133 3.121 1.00 53.31 C ATOM 1365 O SER A 91 18.702 6.939 3.163 1.00 51.21 O ATOM 1366 CB SER A 91 18.305 5.947 0.636 1.00 3.32 C ATOM 1367 OG SER A 91 17.849 5.455 -0.643 1.00 55.21 O ATOM 0 H SER A 91 15.594 4.594 1.257 1.00 23.34 H new ATOM 0 HA SER A 91 17.629 4.356 1.980 1.00 74.33 H new ATOM 0 HB2 SER A 91 18.281 7.037 0.641 1.00 3.32 H new ATOM 0 HB3 SER A 91 19.341 5.650 0.796 1.00 3.32 H new ATOM 0 HG SER A 91 17.300 4.654 -0.509 1.00 55.21 H new ATOM 1373 N PRO A 92 17.004 5.925 4.222 1.00 52.14 N ATOM 1374 CA PRO A 92 17.402 6.403 5.536 1.00 54.32 C ATOM 1375 C PRO A 92 17.879 5.228 6.407 1.00 61.42 C ATOM 1376 O PRO A 92 18.113 5.378 7.608 1.00 31.43 O ATOM 1377 CB PRO A 92 16.083 6.953 6.073 1.00 33.42 C ATOM 1378 CG PRO A 92 15.018 6.081 5.456 1.00 32.15 C ATOM 1379 CD PRO A 92 15.665 5.313 4.308 1.00 61.10 C ATOM 0 HA PRO A 92 18.218 7.125 5.522 1.00 54.32 H new ATOM 0 HB2 PRO A 92 16.050 6.907 7.162 1.00 33.42 H new ATOM 0 HB3 PRO A 92 15.948 7.998 5.794 1.00 33.42 H new ATOM 0 HG2 PRO A 92 14.609 5.393 6.196 1.00 32.15 H new ATOM 0 HG3 PRO A 92 14.188 6.688 5.093 1.00 32.15 H new ATOM 0 HD2 PRO A 92 15.721 4.245 4.516 1.00 61.10 H new ATOM 0 HD3 PRO A 92 15.107 5.428 3.379 1.00 61.10 H new ATOM 1387 N GLU A 93 18.013 4.090 5.760 1.00 51.21 N ATOM 1388 CA GLU A 93 18.327 2.827 6.339 1.00 41.12 C ATOM 1389 C GLU A 93 19.264 2.178 5.350 1.00 35.55 C ATOM 1390 O GLU A 93 20.417 1.906 5.699 1.00 14.03 O ATOM 1391 CB GLU A 93 17.040 1.969 6.450 1.00 31.12 C ATOM 1392 CG GLU A 93 15.890 2.615 7.228 1.00 3.53 C ATOM 1393 CD GLU A 93 14.613 1.797 7.186 1.00 4.31 C ATOM 1394 OE1 GLU A 93 13.849 1.903 6.179 1.00 2.41 O ATOM 1395 OE2 GLU A 93 14.350 1.044 8.127 1.00 32.02 O ATOM 1396 OXT GLU A 93 18.844 2.067 4.164 1.00 37.28 O ATOM 0 H GLU A 93 17.895 4.033 4.748 1.00 51.21 H new ATOM 0 HA GLU A 93 18.759 2.924 7.335 1.00 41.12 H new ATOM 0 HB2 GLU A 93 16.691 1.735 5.444 1.00 31.12 H new ATOM 0 HB3 GLU A 93 17.294 1.023 6.927 1.00 31.12 H new ATOM 0 HG2 GLU A 93 16.193 2.753 8.266 1.00 3.53 H new ATOM 0 HG3 GLU A 93 15.694 3.606 6.819 1.00 3.53 H new TER 1403 GLU A 93