USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=14 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 15 ASN : amide:sc= 1.47 K(o=2.9,f=-2.9!) USER MOD Set 1.2: A 67 TYR OH : rot -99:sc= 1.42 USER MOD Set 2.1: A 56 MET CE :methyl -164:sc= 0 (180deg=-0.183) USER MOD Set 2.2: A 75 TYR OH : rot -69:sc= 0.0867 USER MOD Set 3.1: A 40 HIS : no HE2:sc= 1.22 K(o=2.4,f=-3.1!) USER MOD Set 3.2: A 43 SER OG : rot 80:sc= 1.22 USER MOD Set 4.1: A 17 HIS : no HE2:sc= 0.24 K(o=1.1,f=-9.2!) USER MOD Set 4.2: A 64 LYS NZ :NH3+ -141:sc= 1.04 (180deg=-0.0269) USER MOD Set 4.3: A 65 ASN : amide:sc= -0.194 K(o=1.1,f=-1.3) USER MOD Single : A 21 TYR OH : rot 41:sc= 0.966 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 1.14 K(o=1.1,f=-0.096) USER MOD Single : A 30 GLN : amide:sc= 0.0792 K(o=0.079,f=-2.5) USER MOD Single : A 33 ASN : amide:sc= -0.905 K(o=-0.91,f=-0.21) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.665 USER MOD Single : A 37 GLN : amide:sc= -0.449 K(o=-0.45,f=-5.1!) USER MOD Single : A 38 GLN : amide:sc= -0.0626 X(o=-0.063,f=-0.52) USER MOD Single : A 44 ASN : amide:sc= -1.02 K(o=-1,f=-7.1!) USER MOD Single : A 47 GLN : amide:sc= -0.751 K(o=-0.75,f=-1.7) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 70 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.431 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 87 MET CE :methyl 170:sc= -0.651 (180deg=-0.891) USER MOD Single : A 89 SER OG : rot 86:sc= 1.11 USER MOD Single : A 91 SER OG : rot 136:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 10.286 7.778 2.543 1.00 13.02 N ATOM 2 CA ASP A 14 9.026 7.458 1.885 1.00 60.14 C ATOM 3 C ASP A 14 9.341 7.241 0.443 1.00 63.31 C ATOM 4 O ASP A 14 10.256 7.876 -0.072 1.00 11.15 O ATOM 5 CB ASP A 14 8.029 8.612 2.021 1.00 64.53 C ATOM 6 CG ASP A 14 6.641 8.237 1.539 1.00 42.44 C ATOM 7 OD1 ASP A 14 6.390 8.199 0.320 1.00 31.15 O ATOM 8 OD2 ASP A 14 5.783 7.966 2.380 1.00 74.02 O ATOM 0 HA ASP A 14 8.574 6.576 2.339 1.00 60.14 H new ATOM 0 HB2 ASP A 14 7.977 8.922 3.065 1.00 64.53 H new ATOM 0 HB3 ASP A 14 8.389 9.469 1.451 1.00 64.53 H new ATOM 13 N ASN A 15 8.644 6.343 -0.198 1.00 34.53 N ATOM 14 CA ASN A 15 8.897 6.052 -1.581 1.00 44.24 C ATOM 15 C ASN A 15 7.705 5.382 -2.202 1.00 63.12 C ATOM 16 O ASN A 15 7.383 4.244 -1.893 1.00 15.41 O ATOM 17 CB ASN A 15 10.127 5.182 -1.741 1.00 61.53 C ATOM 18 CG ASN A 15 10.404 4.844 -3.177 1.00 21.24 C ATOM 19 OD1 ASN A 15 10.066 5.602 -4.087 1.00 3.20 O ATOM 20 ND2 ASN A 15 10.997 3.721 -3.393 1.00 74.25 N ATOM 0 H ASN A 15 7.891 5.797 0.220 1.00 34.53 H new ATOM 0 HA ASN A 15 9.080 6.996 -2.094 1.00 44.24 H new ATOM 0 HB2 ASN A 15 10.990 5.696 -1.318 1.00 61.53 H new ATOM 0 HB3 ASN A 15 9.994 4.261 -1.173 1.00 61.53 H new ATOM 0 HD21 ASN A 15 11.204 3.429 -4.348 1.00 74.25 H new ATOM 0 HD22 ASN A 15 11.259 3.124 -2.609 1.00 74.25 H new ATOM 27 N ARG A 16 7.043 6.104 -3.048 1.00 23.32 N ATOM 28 CA ARG A 16 5.857 5.622 -3.730 1.00 74.24 C ATOM 29 C ARG A 16 6.214 4.856 -5.015 1.00 0.31 C ATOM 30 O ARG A 16 5.363 4.245 -5.637 1.00 24.22 O ATOM 31 CB ARG A 16 4.907 6.796 -3.990 1.00 2.12 C ATOM 32 CG ARG A 16 4.603 7.583 -2.710 1.00 21.33 C ATOM 33 CD ARG A 16 3.877 6.727 -1.678 1.00 23.45 C ATOM 34 NE ARG A 16 3.951 7.299 -0.330 1.00 42.52 N ATOM 35 CZ ARG A 16 2.989 7.265 0.594 1.00 72.21 C ATOM 36 NH1 ARG A 16 1.748 6.871 0.270 1.00 2.42 N ATOM 37 NH2 ARG A 16 3.264 7.628 1.836 1.00 41.41 N ATOM 0 H ARG A 16 7.304 7.058 -3.297 1.00 23.32 H new ATOM 0 HA ARG A 16 5.343 4.904 -3.090 1.00 74.24 H new ATOM 0 HB2 ARG A 16 5.349 7.463 -4.730 1.00 2.12 H new ATOM 0 HB3 ARG A 16 3.976 6.422 -4.415 1.00 2.12 H new ATOM 0 HG2 ARG A 16 5.534 7.956 -2.283 1.00 21.33 H new ATOM 0 HG3 ARG A 16 3.993 8.453 -2.954 1.00 21.33 H new ATOM 0 HD2 ARG A 16 2.832 6.620 -1.968 1.00 23.45 H new ATOM 0 HD3 ARG A 16 4.309 5.726 -1.670 1.00 23.45 H new ATOM 0 HE ARG A 16 4.820 7.767 -0.074 1.00 42.52 H new ATOM 0 HH11 ARG A 16 1.535 6.595 -0.688 1.00 2.42 H new ATOM 0 HH12 ARG A 16 1.018 6.848 0.982 1.00 2.42 H new ATOM 0 HH21 ARG A 16 4.206 7.931 2.082 1.00 41.41 H new ATOM 0 HH22 ARG A 16 2.534 7.605 2.548 1.00 41.41 H new ATOM 51 N HIS A 17 7.490 4.889 -5.375 1.00 20.01 N ATOM 52 CA HIS A 17 8.006 4.271 -6.573 1.00 53.25 C ATOM 53 C HIS A 17 8.337 2.826 -6.260 1.00 52.21 C ATOM 54 O HIS A 17 8.519 2.032 -7.156 1.00 43.22 O ATOM 55 CB HIS A 17 9.235 5.019 -7.103 1.00 24.13 C ATOM 56 CG HIS A 17 9.465 4.873 -8.592 1.00 13.44 C ATOM 57 ND1 HIS A 17 9.553 5.946 -9.449 1.00 72.44 N ATOM 58 CD2 HIS A 17 9.649 3.777 -9.361 1.00 73.03 C ATOM 59 CE1 HIS A 17 9.774 5.496 -10.674 1.00 12.14 C ATOM 60 NE2 HIS A 17 9.850 4.178 -10.687 1.00 43.24 N ATOM 0 H HIS A 17 8.207 5.360 -4.823 1.00 20.01 H new ATOM 0 HA HIS A 17 7.252 4.314 -7.359 1.00 53.25 H new ATOM 0 HB2 HIS A 17 9.130 6.078 -6.867 1.00 24.13 H new ATOM 0 HB3 HIS A 17 10.119 4.660 -6.575 1.00 24.13 H new ATOM 0 HD1 HIS A 17 9.463 6.927 -9.184 1.00 72.44 H new ATOM 0 HD2 HIS A 17 9.642 2.756 -9.009 1.00 73.03 H new ATOM 0 HE1 HIS A 17 9.878 6.124 -11.547 1.00 12.14 H new ATOM 68 N ALA A 18 8.412 2.530 -4.932 1.00 63.04 N ATOM 69 CA ALA A 18 8.817 1.229 -4.311 1.00 43.03 C ATOM 70 C ALA A 18 8.203 -0.008 -4.973 1.00 40.35 C ATOM 71 O ALA A 18 8.629 -1.128 -4.717 1.00 33.21 O ATOM 72 CB ALA A 18 8.462 1.237 -2.832 1.00 21.22 C ATOM 0 H ALA A 18 8.180 3.228 -4.225 1.00 63.04 H new ATOM 0 HA ALA A 18 9.894 1.150 -4.460 1.00 43.03 H new ATOM 0 HB1 ALA A 18 8.757 0.289 -2.382 1.00 21.22 H new ATOM 0 HB2 ALA A 18 8.987 2.054 -2.336 1.00 21.22 H new ATOM 0 HB3 ALA A 18 7.387 1.374 -2.717 1.00 21.22 H new ATOM 78 N ALA A 19 7.177 0.188 -5.776 1.00 52.24 N ATOM 79 CA ALA A 19 6.624 -0.864 -6.591 1.00 24.25 C ATOM 80 C ALA A 19 7.712 -1.415 -7.548 1.00 24.11 C ATOM 81 O ALA A 19 7.608 -2.543 -8.026 1.00 32.32 O ATOM 82 CB ALA A 19 5.431 -0.346 -7.381 1.00 21.34 C ATOM 0 H ALA A 19 6.705 1.086 -5.879 1.00 52.24 H new ATOM 0 HA ALA A 19 6.283 -1.673 -5.945 1.00 24.25 H new ATOM 0 HB1 ALA A 19 5.023 -1.151 -7.993 1.00 21.34 H new ATOM 0 HB2 ALA A 19 4.665 0.011 -6.692 1.00 21.34 H new ATOM 0 HB3 ALA A 19 5.749 0.474 -8.025 1.00 21.34 H new ATOM 88 N ASP A 20 8.771 -0.618 -7.803 1.00 11.33 N ATOM 89 CA ASP A 20 9.894 -1.093 -8.634 1.00 51.21 C ATOM 90 C ASP A 20 10.632 -2.254 -7.961 1.00 21.35 C ATOM 91 O ASP A 20 11.051 -3.195 -8.621 1.00 21.14 O ATOM 92 CB ASP A 20 10.867 0.037 -9.108 1.00 5.34 C ATOM 93 CG ASP A 20 11.546 0.865 -8.022 1.00 74.02 C ATOM 94 OD1 ASP A 20 11.221 0.728 -6.841 1.00 4.42 O ATOM 95 OD2 ASP A 20 12.413 1.716 -8.382 1.00 13.53 O ATOM 0 H ASP A 20 8.871 0.335 -7.454 1.00 11.33 H new ATOM 0 HA ASP A 20 9.444 -1.469 -9.553 1.00 51.21 H new ATOM 0 HB2 ASP A 20 11.644 -0.420 -9.721 1.00 5.34 H new ATOM 0 HB3 ASP A 20 10.309 0.716 -9.753 1.00 5.34 H new ATOM 100 N TYR A 21 10.713 -2.207 -6.643 1.00 33.13 N ATOM 101 CA TYR A 21 11.267 -3.296 -5.802 1.00 1.31 C ATOM 102 C TYR A 21 10.511 -4.616 -6.035 1.00 41.12 C ATOM 103 O TYR A 21 11.089 -5.715 -5.914 1.00 51.03 O ATOM 104 CB TYR A 21 11.148 -2.868 -4.333 1.00 51.41 C ATOM 105 CG TYR A 21 11.539 -3.914 -3.347 1.00 63.25 C ATOM 106 CD1 TYR A 21 12.865 -4.193 -3.102 1.00 21.23 C ATOM 107 CD2 TYR A 21 10.572 -4.629 -2.659 1.00 61.01 C ATOM 108 CE1 TYR A 21 13.222 -5.153 -2.200 1.00 64.13 C ATOM 109 CE2 TYR A 21 10.917 -5.592 -1.757 1.00 60.41 C ATOM 110 CZ TYR A 21 12.241 -5.852 -1.527 1.00 41.15 C ATOM 111 OH TYR A 21 12.588 -6.811 -0.616 1.00 72.14 O ATOM 0 H TYR A 21 10.394 -1.404 -6.101 1.00 33.13 H new ATOM 0 HA TYR A 21 12.310 -3.468 -6.066 1.00 1.31 H new ATOM 0 HB2 TYR A 21 11.770 -1.987 -4.174 1.00 51.41 H new ATOM 0 HB3 TYR A 21 10.118 -2.570 -4.138 1.00 51.41 H new ATOM 0 HD1 TYR A 21 13.632 -3.646 -3.630 1.00 21.23 H new ATOM 0 HD2 TYR A 21 9.528 -4.420 -2.840 1.00 61.01 H new ATOM 0 HE1 TYR A 21 14.265 -5.364 -2.014 1.00 64.13 H new ATOM 0 HE2 TYR A 21 10.153 -6.144 -1.229 1.00 60.41 H new ATOM 0 HH TYR A 21 13.350 -6.498 -0.085 1.00 72.14 H new ATOM 121 N GLN A 22 9.245 -4.513 -6.396 1.00 12.10 N ATOM 122 CA GLN A 22 8.431 -5.680 -6.649 1.00 21.43 C ATOM 123 C GLN A 22 8.927 -6.395 -7.906 1.00 14.25 C ATOM 124 O GLN A 22 9.189 -7.602 -7.874 1.00 53.24 O ATOM 125 CB GLN A 22 6.953 -5.301 -6.776 1.00 22.24 C ATOM 126 CG GLN A 22 6.015 -6.481 -6.981 1.00 31.51 C ATOM 127 CD GLN A 22 4.573 -6.048 -7.131 1.00 52.40 C ATOM 128 OE1 GLN A 22 4.103 -5.794 -8.223 1.00 4.43 O ATOM 129 NE2 GLN A 22 3.864 -5.959 -6.034 1.00 22.24 N ATOM 0 H GLN A 22 8.759 -3.625 -6.520 1.00 12.10 H new ATOM 0 HA GLN A 22 8.521 -6.361 -5.803 1.00 21.43 H new ATOM 0 HB2 GLN A 22 6.650 -4.764 -5.877 1.00 22.24 H new ATOM 0 HB3 GLN A 22 6.838 -4.612 -7.613 1.00 22.24 H new ATOM 0 HG2 GLN A 22 6.320 -7.035 -7.869 1.00 31.51 H new ATOM 0 HG3 GLN A 22 6.101 -7.162 -6.135 1.00 31.51 H new ATOM 0 HE21 GLN A 22 4.289 -6.179 -5.133 1.00 22.24 H new ATOM 0 HE22 GLN A 22 2.887 -5.669 -6.080 1.00 22.24 H new ATOM 138 N GLN A 23 9.121 -5.648 -8.989 1.00 5.33 N ATOM 139 CA GLN A 23 9.589 -6.264 -10.216 1.00 1.04 C ATOM 140 C GLN A 23 11.102 -6.491 -10.173 1.00 71.25 C ATOM 141 O GLN A 23 11.637 -7.286 -10.931 1.00 43.41 O ATOM 142 CB GLN A 23 9.139 -5.542 -11.495 1.00 20.25 C ATOM 143 CG GLN A 23 9.449 -6.376 -12.737 1.00 42.15 C ATOM 144 CD GLN A 23 8.877 -5.866 -14.028 1.00 42.02 C ATOM 145 OE1 GLN A 23 8.705 -4.668 -14.236 1.00 34.20 O ATOM 146 NE2 GLN A 23 8.574 -6.789 -14.907 1.00 51.22 N ATOM 0 H GLN A 23 8.965 -4.641 -9.039 1.00 5.33 H new ATOM 0 HA GLN A 23 9.102 -7.238 -10.270 1.00 1.04 H new ATOM 0 HB2 GLN A 23 8.069 -5.342 -11.446 1.00 20.25 H new ATOM 0 HB3 GLN A 23 9.641 -4.577 -11.567 1.00 20.25 H new ATOM 0 HG2 GLN A 23 10.532 -6.445 -12.844 1.00 42.15 H new ATOM 0 HG3 GLN A 23 9.080 -7.388 -12.573 1.00 42.15 H new ATOM 0 HE21 GLN A 23 8.735 -7.773 -14.690 1.00 51.22 H new ATOM 0 HE22 GLN A 23 8.177 -6.524 -15.809 1.00 51.22 H new ATOM 155 N LEU A 24 11.792 -5.763 -9.295 1.00 72.45 N ATOM 156 CA LEU A 24 13.219 -5.994 -9.040 1.00 45.42 C ATOM 157 C LEU A 24 13.368 -7.484 -8.719 1.00 34.53 C ATOM 158 O LEU A 24 14.110 -8.190 -9.376 1.00 2.23 O ATOM 159 CB LEU A 24 13.680 -5.117 -7.833 1.00 63.33 C ATOM 160 CG LEU A 24 15.199 -4.866 -7.620 1.00 41.52 C ATOM 161 CD1 LEU A 24 15.395 -3.887 -6.484 1.00 43.32 C ATOM 162 CD2 LEU A 24 15.967 -6.138 -7.312 1.00 11.14 C ATOM 0 H LEU A 24 11.387 -5.005 -8.745 1.00 72.45 H new ATOM 0 HA LEU A 24 13.834 -5.724 -9.898 1.00 45.42 H new ATOM 0 HB2 LEU A 24 13.196 -4.145 -7.929 1.00 63.33 H new ATOM 0 HB3 LEU A 24 13.292 -5.578 -6.924 1.00 63.33 H new ATOM 0 HG LEU A 24 15.590 -4.463 -8.554 1.00 41.52 H new ATOM 0 HD11 LEU A 24 16.460 -3.711 -6.335 1.00 43.32 H new ATOM 0 HD12 LEU A 24 14.902 -2.945 -6.726 1.00 43.32 H new ATOM 0 HD13 LEU A 24 14.964 -4.298 -5.571 1.00 43.32 H new ATOM 0 HD21 LEU A 24 17.022 -5.901 -7.173 1.00 11.14 H new ATOM 0 HD22 LEU A 24 15.573 -6.589 -6.401 1.00 11.14 H new ATOM 0 HD23 LEU A 24 15.858 -6.838 -8.140 1.00 11.14 H new ATOM 174 N ARG A 25 12.556 -7.945 -7.766 1.00 41.14 N ATOM 175 CA ARG A 25 12.519 -9.355 -7.351 1.00 11.05 C ATOM 176 C ARG A 25 12.277 -10.283 -8.534 1.00 11.21 C ATOM 177 O ARG A 25 12.961 -11.289 -8.699 1.00 41.24 O ATOM 178 CB ARG A 25 11.405 -9.572 -6.322 1.00 50.25 C ATOM 179 CG ARG A 25 11.668 -8.937 -4.986 1.00 2.45 C ATOM 180 CD ARG A 25 10.537 -9.174 -4.014 1.00 41.12 C ATOM 181 NE ARG A 25 10.912 -8.811 -2.655 1.00 2.03 N ATOM 182 CZ ARG A 25 10.914 -9.654 -1.604 1.00 33.42 C ATOM 183 NH1 ARG A 25 10.515 -10.916 -1.741 1.00 41.34 N ATOM 184 NH2 ARG A 25 11.319 -9.224 -0.431 1.00 44.40 N ATOM 0 H ARG A 25 11.902 -7.351 -7.256 1.00 41.14 H new ATOM 0 HA ARG A 25 13.490 -9.590 -6.914 1.00 11.05 H new ATOM 0 HB2 ARG A 25 10.473 -9.175 -6.723 1.00 50.25 H new ATOM 0 HB3 ARG A 25 11.260 -10.643 -6.180 1.00 50.25 H new ATOM 0 HG2 ARG A 25 12.593 -9.337 -4.570 1.00 2.45 H new ATOM 0 HG3 ARG A 25 11.815 -7.865 -5.117 1.00 2.45 H new ATOM 0 HD2 ARG A 25 9.667 -8.593 -4.319 1.00 41.12 H new ATOM 0 HD3 ARG A 25 10.246 -10.224 -4.043 1.00 41.12 H new ATOM 0 HE ARG A 25 11.195 -7.846 -2.486 1.00 2.03 H new ATOM 0 HH11 ARG A 25 10.202 -11.256 -2.650 1.00 41.34 H new ATOM 0 HH12 ARG A 25 10.522 -11.543 -0.937 1.00 41.34 H new ATOM 0 HH21 ARG A 25 11.629 -8.258 -0.321 1.00 44.40 H new ATOM 0 HH22 ARG A 25 11.324 -9.856 0.370 1.00 44.40 H new ATOM 198 N GLU A 26 11.320 -9.908 -9.342 1.00 64.53 N ATOM 199 CA GLU A 26 10.878 -10.657 -10.474 1.00 64.44 C ATOM 200 C GLU A 26 11.996 -10.776 -11.519 1.00 12.03 C ATOM 201 O GLU A 26 12.331 -11.886 -11.944 1.00 74.43 O ATOM 202 CB GLU A 26 9.630 -9.946 -11.003 1.00 34.20 C ATOM 203 CG GLU A 26 8.809 -10.686 -12.028 1.00 74.42 C ATOM 204 CD GLU A 26 9.257 -10.489 -13.461 1.00 23.23 C ATOM 205 OE1 GLU A 26 9.128 -9.349 -13.991 1.00 5.54 O ATOM 206 OE2 GLU A 26 9.740 -11.453 -14.071 1.00 45.23 O ATOM 0 H GLU A 26 10.810 -9.034 -9.218 1.00 64.53 H new ATOM 0 HA GLU A 26 10.627 -11.685 -10.211 1.00 64.44 H new ATOM 0 HB2 GLU A 26 8.986 -9.714 -10.155 1.00 34.20 H new ATOM 0 HB3 GLU A 26 9.939 -8.995 -11.437 1.00 34.20 H new ATOM 0 HG2 GLU A 26 8.837 -11.751 -11.796 1.00 74.42 H new ATOM 0 HG3 GLU A 26 7.770 -10.368 -11.940 1.00 74.42 H new ATOM 213 N ARG A 27 12.639 -9.654 -11.854 1.00 64.10 N ATOM 214 CA ARG A 27 13.628 -9.667 -12.863 1.00 50.20 C ATOM 215 C ARG A 27 14.873 -10.513 -12.536 1.00 73.53 C ATOM 216 O ARG A 27 15.441 -11.153 -13.443 1.00 62.34 O ATOM 217 CB ARG A 27 13.988 -8.287 -13.411 1.00 21.21 C ATOM 218 CG ARG A 27 14.981 -8.482 -14.501 1.00 11.10 C ATOM 219 CD ARG A 27 15.081 -7.402 -15.515 1.00 51.50 C ATOM 220 NE ARG A 27 15.952 -7.904 -16.589 1.00 63.12 N ATOM 221 CZ ARG A 27 15.591 -8.105 -17.860 1.00 30.12 C ATOM 222 NH1 ARG A 27 14.432 -7.622 -18.326 1.00 14.25 N ATOM 223 NH2 ARG A 27 16.395 -8.814 -18.652 1.00 33.03 N ATOM 0 H ARG A 27 12.473 -8.743 -11.426 1.00 64.10 H new ATOM 0 HA ARG A 27 13.133 -10.190 -13.681 1.00 50.20 H new ATOM 0 HB2 ARG A 27 13.099 -7.781 -13.788 1.00 21.21 H new ATOM 0 HB3 ARG A 27 14.403 -7.658 -12.623 1.00 21.21 H new ATOM 0 HG2 ARG A 27 15.963 -8.614 -14.047 1.00 11.10 H new ATOM 0 HG3 ARG A 27 14.741 -9.412 -15.017 1.00 11.10 H new ATOM 0 HD2 ARG A 27 14.096 -7.146 -15.905 1.00 51.50 H new ATOM 0 HD3 ARG A 27 15.495 -6.495 -15.074 1.00 51.50 H new ATOM 0 HE ARG A 27 16.918 -8.118 -16.341 1.00 63.12 H new ATOM 0 HH11 ARG A 27 13.814 -7.094 -17.709 1.00 14.25 H new ATOM 0 HH12 ARG A 27 14.167 -7.782 -19.298 1.00 14.25 H new ATOM 0 HH21 ARG A 27 17.268 -9.192 -18.285 1.00 33.03 H new ATOM 0 HH22 ARG A 27 16.137 -8.978 -19.625 1.00 33.03 H new ATOM 237 N LEU A 28 15.305 -10.554 -11.264 1.00 53.24 N ATOM 238 CA LEU A 28 16.443 -11.416 -10.924 1.00 70.03 C ATOM 239 C LEU A 28 16.129 -12.831 -11.297 1.00 65.51 C ATOM 240 O LEU A 28 16.914 -13.494 -11.925 1.00 34.33 O ATOM 241 CB LEU A 28 16.859 -11.355 -9.437 1.00 1.10 C ATOM 242 CG LEU A 28 17.702 -10.153 -8.993 1.00 64.22 C ATOM 243 CD1 LEU A 28 16.940 -8.887 -9.089 1.00 14.44 C ATOM 244 CD2 LEU A 28 18.253 -10.355 -7.596 1.00 74.33 C ATOM 0 H LEU A 28 14.904 -10.026 -10.489 1.00 53.24 H new ATOM 0 HA LEU A 28 17.292 -11.038 -11.494 1.00 70.03 H new ATOM 0 HB2 LEU A 28 15.953 -11.374 -8.832 1.00 1.10 H new ATOM 0 HB3 LEU A 28 17.416 -12.263 -9.205 1.00 1.10 H new ATOM 0 HG LEU A 28 18.547 -10.078 -9.678 1.00 64.22 H new ATOM 0 HD11 LEU A 28 17.570 -8.058 -8.766 1.00 14.44 H new ATOM 0 HD12 LEU A 28 16.630 -8.726 -10.122 1.00 14.44 H new ATOM 0 HD13 LEU A 28 16.059 -8.943 -8.450 1.00 14.44 H new ATOM 0 HD21 LEU A 28 18.846 -9.486 -7.310 1.00 74.33 H new ATOM 0 HD22 LEU A 28 17.428 -10.479 -6.894 1.00 74.33 H new ATOM 0 HD23 LEU A 28 18.882 -11.245 -7.578 1.00 74.33 H new ATOM 256 N ILE A 29 14.927 -13.225 -11.005 1.00 50.14 N ATOM 257 CA ILE A 29 14.456 -14.574 -11.238 1.00 4.40 C ATOM 258 C ILE A 29 14.489 -14.967 -12.717 1.00 71.31 C ATOM 259 O ILE A 29 14.803 -16.108 -13.044 1.00 32.35 O ATOM 260 CB ILE A 29 13.050 -14.781 -10.577 1.00 72.14 C ATOM 261 CG1 ILE A 29 13.198 -15.250 -9.142 1.00 42.30 C ATOM 262 CG2 ILE A 29 12.112 -15.681 -11.353 1.00 55.24 C ATOM 263 CD1 ILE A 29 14.033 -14.347 -8.304 1.00 0.44 C ATOM 0 H ILE A 29 14.225 -12.613 -10.589 1.00 50.14 H new ATOM 0 HA ILE A 29 15.151 -15.260 -10.753 1.00 4.40 H new ATOM 0 HB ILE A 29 12.574 -13.801 -10.592 1.00 72.14 H new ATOM 0 HG12 ILE A 29 12.209 -15.337 -8.693 1.00 42.30 H new ATOM 0 HG13 ILE A 29 13.639 -16.247 -9.138 1.00 42.30 H new ATOM 0 HG21 ILE A 29 11.165 -15.766 -10.820 1.00 55.24 H new ATOM 0 HG22 ILE A 29 11.936 -15.257 -12.341 1.00 55.24 H new ATOM 0 HG23 ILE A 29 12.559 -16.670 -11.457 1.00 55.24 H new ATOM 0 HD11 ILE A 29 14.095 -14.745 -7.291 1.00 0.44 H new ATOM 0 HD12 ILE A 29 15.034 -14.279 -8.729 1.00 0.44 H new ATOM 0 HD13 ILE A 29 13.582 -13.355 -8.277 1.00 0.44 H new ATOM 275 N GLN A 30 14.237 -14.012 -13.590 1.00 73.45 N ATOM 276 CA GLN A 30 14.244 -14.262 -15.032 1.00 0.30 C ATOM 277 C GLN A 30 15.643 -14.661 -15.461 1.00 34.32 C ATOM 278 O GLN A 30 15.839 -15.642 -16.174 1.00 45.33 O ATOM 279 CB GLN A 30 13.891 -13.001 -15.809 1.00 24.02 C ATOM 280 CG GLN A 30 12.750 -12.201 -15.244 1.00 43.04 C ATOM 281 CD GLN A 30 12.466 -10.941 -16.058 1.00 44.31 C ATOM 282 OE1 GLN A 30 13.360 -10.380 -16.716 1.00 71.44 O ATOM 283 NE2 GLN A 30 11.280 -10.447 -15.963 1.00 23.40 N ATOM 0 H GLN A 30 14.023 -13.049 -13.332 1.00 73.45 H new ATOM 0 HA GLN A 30 13.514 -15.045 -15.237 1.00 0.30 H new ATOM 0 HB2 GLN A 30 14.773 -12.363 -15.856 1.00 24.02 H new ATOM 0 HB3 GLN A 30 13.646 -13.281 -16.833 1.00 24.02 H new ATOM 0 HG2 GLN A 30 11.854 -12.821 -15.214 1.00 43.04 H new ATOM 0 HG3 GLN A 30 12.979 -11.922 -14.215 1.00 43.04 H new ATOM 0 HE21 GLN A 30 10.568 -10.931 -15.416 1.00 23.40 H new ATOM 0 HE22 GLN A 30 11.053 -9.572 -16.435 1.00 23.40 H new ATOM 292 N GLU A 31 16.616 -13.906 -14.980 1.00 10.50 N ATOM 293 CA GLU A 31 17.989 -14.092 -15.387 1.00 5.22 C ATOM 294 C GLU A 31 18.663 -15.182 -14.562 1.00 53.52 C ATOM 295 O GLU A 31 19.697 -15.716 -14.958 1.00 54.04 O ATOM 296 CB GLU A 31 18.772 -12.766 -15.294 1.00 4.20 C ATOM 297 CG GLU A 31 18.025 -11.588 -15.916 1.00 70.43 C ATOM 298 CD GLU A 31 18.870 -10.346 -16.171 1.00 52.23 C ATOM 299 OE1 GLU A 31 19.998 -10.222 -15.627 1.00 60.40 O ATOM 300 OE2 GLU A 31 18.420 -9.452 -16.957 1.00 63.21 O ATOM 0 H GLU A 31 16.474 -13.156 -14.304 1.00 10.50 H new ATOM 0 HA GLU A 31 17.990 -14.414 -16.428 1.00 5.22 H new ATOM 0 HB2 GLU A 31 18.980 -12.546 -14.247 1.00 4.20 H new ATOM 0 HB3 GLU A 31 19.734 -12.883 -15.792 1.00 4.20 H new ATOM 0 HG2 GLU A 31 17.590 -11.912 -16.861 1.00 70.43 H new ATOM 0 HG3 GLU A 31 17.197 -11.317 -15.261 1.00 70.43 H new ATOM 307 N LEU A 32 18.086 -15.495 -13.408 1.00 13.33 N ATOM 308 CA LEU A 32 18.616 -16.519 -12.552 1.00 15.41 C ATOM 309 C LEU A 32 18.014 -17.887 -12.865 1.00 32.31 C ATOM 310 O LEU A 32 18.516 -18.910 -12.418 1.00 60.34 O ATOM 311 CB LEU A 32 18.442 -16.146 -11.078 1.00 61.53 C ATOM 312 CG LEU A 32 19.139 -14.869 -10.651 1.00 62.11 C ATOM 313 CD1 LEU A 32 19.125 -14.686 -9.135 1.00 64.42 C ATOM 314 CD2 LEU A 32 20.532 -14.755 -11.245 1.00 52.54 C ATOM 0 H LEU A 32 17.244 -15.043 -13.052 1.00 13.33 H new ATOM 0 HA LEU A 32 19.685 -16.593 -12.750 1.00 15.41 H new ATOM 0 HB2 LEU A 32 17.377 -16.048 -10.867 1.00 61.53 H new ATOM 0 HB3 LEU A 32 18.814 -16.967 -10.465 1.00 61.53 H new ATOM 0 HG LEU A 32 18.564 -14.039 -11.061 1.00 62.11 H new ATOM 0 HD11 LEU A 32 19.635 -13.758 -8.876 1.00 64.42 H new ATOM 0 HD12 LEU A 32 18.094 -14.644 -8.783 1.00 64.42 H new ATOM 0 HD13 LEU A 32 19.635 -15.525 -8.662 1.00 64.42 H new ATOM 0 HD21 LEU A 32 20.994 -13.825 -10.913 1.00 52.54 H new ATOM 0 HD22 LEU A 32 21.138 -15.599 -10.916 1.00 52.54 H new ATOM 0 HD23 LEU A 32 20.465 -14.758 -12.333 1.00 52.54 H new ATOM 326 N ASN A 33 16.903 -17.860 -13.600 1.00 12.40 N ATOM 327 CA ASN A 33 16.204 -19.050 -14.142 1.00 12.13 C ATOM 328 C ASN A 33 15.630 -19.970 -13.022 1.00 64.10 C ATOM 329 O ASN A 33 15.304 -21.133 -13.250 1.00 61.21 O ATOM 330 CB ASN A 33 17.144 -19.831 -15.109 1.00 23.12 C ATOM 331 CG ASN A 33 16.451 -20.924 -15.945 1.00 75.22 C ATOM 332 OD1 ASN A 33 17.052 -21.939 -16.278 1.00 54.12 O ATOM 333 ND2 ASN A 33 15.208 -20.703 -16.327 1.00 41.43 N ATOM 0 H ASN A 33 16.440 -16.986 -13.849 1.00 12.40 H new ATOM 0 HA ASN A 33 15.342 -18.698 -14.708 1.00 12.13 H new ATOM 0 HB2 ASN A 33 17.616 -19.120 -15.787 1.00 23.12 H new ATOM 0 HB3 ASN A 33 17.941 -20.291 -14.525 1.00 23.12 H new ATOM 0 HD21 ASN A 33 14.726 -21.385 -16.913 1.00 41.43 H new ATOM 0 HD22 ASN A 33 14.729 -19.850 -16.037 1.00 41.43 H new ATOM 340 N LEU A 34 15.433 -19.423 -11.849 1.00 44.01 N ATOM 341 CA LEU A 34 14.867 -20.187 -10.760 1.00 12.01 C ATOM 342 C LEU A 34 13.561 -19.537 -10.351 1.00 64.53 C ATOM 343 O LEU A 34 13.180 -18.539 -10.933 1.00 63.20 O ATOM 344 CB LEU A 34 15.849 -20.300 -9.562 1.00 24.14 C ATOM 345 CG LEU A 34 15.944 -19.144 -8.544 1.00 2.01 C ATOM 346 CD1 LEU A 34 17.014 -19.462 -7.526 1.00 11.32 C ATOM 347 CD2 LEU A 34 16.229 -17.822 -9.203 1.00 62.44 C ATOM 0 H LEU A 34 15.655 -18.454 -11.621 1.00 44.01 H new ATOM 0 HA LEU A 34 14.680 -21.208 -11.092 1.00 12.01 H new ATOM 0 HB2 LEU A 34 15.586 -21.201 -9.009 1.00 24.14 H new ATOM 0 HB3 LEU A 34 16.847 -20.457 -9.972 1.00 24.14 H new ATOM 0 HG LEU A 34 14.975 -19.050 -8.053 1.00 2.01 H new ATOM 0 HD11 LEU A 34 17.084 -18.647 -6.805 1.00 11.32 H new ATOM 0 HD12 LEU A 34 16.759 -20.386 -7.006 1.00 11.32 H new ATOM 0 HD13 LEU A 34 17.972 -19.583 -8.031 1.00 11.32 H new ATOM 0 HD21 LEU A 34 16.286 -17.042 -8.444 1.00 62.44 H new ATOM 0 HD22 LEU A 34 17.177 -17.879 -9.737 1.00 62.44 H new ATOM 0 HD23 LEU A 34 15.430 -17.586 -9.906 1.00 62.44 H new ATOM 359 N THR A 35 12.876 -20.071 -9.384 1.00 45.30 N ATOM 360 CA THR A 35 11.680 -19.446 -8.927 1.00 2.41 C ATOM 361 C THR A 35 12.029 -18.558 -7.737 1.00 51.43 C ATOM 362 O THR A 35 13.046 -18.799 -7.082 1.00 23.02 O ATOM 363 CB THR A 35 10.601 -20.498 -8.581 1.00 42.55 C ATOM 364 OG1 THR A 35 11.197 -21.603 -7.889 1.00 22.44 O ATOM 365 CG2 THR A 35 9.911 -21.001 -9.841 1.00 14.12 C ATOM 0 H THR A 35 13.127 -20.934 -8.901 1.00 45.30 H new ATOM 0 HA THR A 35 11.253 -18.826 -9.715 1.00 2.41 H new ATOM 0 HB THR A 35 9.857 -20.024 -7.940 1.00 42.55 H new ATOM 0 HG1 THR A 35 10.507 -22.264 -7.672 1.00 22.44 H new ATOM 0 HG21 THR A 35 9.156 -21.740 -9.572 1.00 14.12 H new ATOM 0 HG22 THR A 35 9.434 -20.165 -10.353 1.00 14.12 H new ATOM 0 HG23 THR A 35 10.648 -21.459 -10.501 1.00 14.12 H new ATOM 373 N PRO A 36 11.230 -17.509 -7.437 1.00 1.14 N ATOM 374 CA PRO A 36 11.538 -16.567 -6.340 1.00 73.03 C ATOM 375 C PRO A 36 11.660 -17.257 -4.980 1.00 35.25 C ATOM 376 O PRO A 36 12.308 -16.758 -4.079 1.00 22.31 O ATOM 377 CB PRO A 36 10.346 -15.600 -6.337 1.00 21.14 C ATOM 378 CG PRO A 36 9.722 -15.730 -7.685 1.00 12.13 C ATOM 379 CD PRO A 36 9.989 -17.134 -8.149 1.00 42.45 C ATOM 0 HA PRO A 36 12.500 -16.080 -6.498 1.00 73.03 H new ATOM 0 HB2 PRO A 36 9.636 -15.855 -5.550 1.00 21.14 H new ATOM 0 HB3 PRO A 36 10.672 -14.576 -6.153 1.00 21.14 H new ATOM 0 HG2 PRO A 36 8.651 -15.535 -7.636 1.00 12.13 H new ATOM 0 HG3 PRO A 36 10.146 -15.005 -8.380 1.00 12.13 H new ATOM 0 HD2 PRO A 36 9.165 -17.802 -7.897 1.00 42.45 H new ATOM 0 HD3 PRO A 36 10.118 -17.181 -9.230 1.00 42.45 H new ATOM 387 N GLN A 37 11.049 -18.419 -4.872 1.00 44.51 N ATOM 388 CA GLN A 37 11.045 -19.194 -3.648 1.00 73.44 C ATOM 389 C GLN A 37 12.335 -20.003 -3.503 1.00 44.34 C ATOM 390 O GLN A 37 12.562 -20.624 -2.478 1.00 2.52 O ATOM 391 CB GLN A 37 9.832 -20.156 -3.595 1.00 51.31 C ATOM 392 CG GLN A 37 8.439 -19.497 -3.584 1.00 65.24 C ATOM 393 CD GLN A 37 8.067 -18.786 -4.882 1.00 62.12 C ATOM 394 OE1 GLN A 37 8.508 -19.163 -5.971 1.00 30.14 O ATOM 395 NE2 GLN A 37 7.265 -17.757 -4.779 1.00 3.40 N ATOM 0 H GLN A 37 10.537 -18.856 -5.638 1.00 44.51 H new ATOM 0 HA GLN A 37 10.972 -18.485 -2.823 1.00 73.44 H new ATOM 0 HB2 GLN A 37 9.888 -20.825 -4.454 1.00 51.31 H new ATOM 0 HB3 GLN A 37 9.925 -20.775 -2.703 1.00 51.31 H new ATOM 0 HG2 GLN A 37 7.691 -20.262 -3.376 1.00 65.24 H new ATOM 0 HG3 GLN A 37 8.397 -18.778 -2.766 1.00 65.24 H new ATOM 0 HE21 GLN A 37 6.918 -17.471 -3.864 1.00 3.40 H new ATOM 0 HE22 GLN A 37 6.987 -17.241 -5.614 1.00 3.40 H new ATOM 404 N GLN A 38 13.159 -20.013 -4.542 1.00 21.20 N ATOM 405 CA GLN A 38 14.399 -20.767 -4.506 1.00 0.02 C ATOM 406 C GLN A 38 15.596 -19.873 -4.198 1.00 54.35 C ATOM 407 O GLN A 38 16.738 -20.327 -4.223 1.00 62.34 O ATOM 408 CB GLN A 38 14.616 -21.529 -5.818 1.00 23.34 C ATOM 409 CG GLN A 38 13.556 -22.577 -6.104 1.00 74.34 C ATOM 410 CD GLN A 38 13.530 -23.701 -5.086 1.00 72.04 C ATOM 411 OE1 GLN A 38 14.542 -24.072 -4.522 1.00 20.34 O ATOM 412 NE2 GLN A 38 12.365 -24.241 -4.839 1.00 43.04 N ATOM 0 H GLN A 38 12.991 -19.510 -5.413 1.00 21.20 H new ATOM 0 HA GLN A 38 14.313 -21.492 -3.697 1.00 0.02 H new ATOM 0 HB2 GLN A 38 14.639 -20.815 -6.642 1.00 23.34 H new ATOM 0 HB3 GLN A 38 15.592 -22.013 -5.788 1.00 23.34 H new ATOM 0 HG2 GLN A 38 12.578 -22.096 -6.129 1.00 74.34 H new ATOM 0 HG3 GLN A 38 13.730 -22.998 -7.094 1.00 74.34 H new ATOM 0 HE21 GLN A 38 11.534 -23.908 -5.328 1.00 43.04 H new ATOM 0 HE22 GLN A 38 12.287 -24.995 -4.157 1.00 43.04 H new ATOM 421 N LEU A 39 15.354 -18.603 -3.918 1.00 41.23 N ATOM 422 CA LEU A 39 16.441 -17.750 -3.530 1.00 12.51 C ATOM 423 C LEU A 39 16.130 -17.170 -2.174 1.00 3.10 C ATOM 424 O LEU A 39 14.972 -17.123 -1.773 1.00 20.02 O ATOM 425 CB LEU A 39 16.812 -16.646 -4.601 1.00 64.03 C ATOM 426 CG LEU A 39 16.007 -15.315 -4.722 1.00 62.04 C ATOM 427 CD1 LEU A 39 16.240 -14.379 -3.529 1.00 75.42 C ATOM 428 CD2 LEU A 39 16.441 -14.598 -5.979 1.00 34.41 C ATOM 0 H LEU A 39 14.437 -18.158 -3.953 1.00 41.23 H new ATOM 0 HA LEU A 39 17.345 -18.355 -3.471 1.00 12.51 H new ATOM 0 HB2 LEU A 39 17.852 -16.371 -4.423 1.00 64.03 H new ATOM 0 HB3 LEU A 39 16.773 -17.128 -5.578 1.00 64.03 H new ATOM 0 HG LEU A 39 14.948 -15.572 -4.748 1.00 62.04 H new ATOM 0 HD11 LEU A 39 15.657 -13.468 -3.662 1.00 75.42 H new ATOM 0 HD12 LEU A 39 15.930 -14.877 -2.610 1.00 75.42 H new ATOM 0 HD13 LEU A 39 17.299 -14.127 -3.466 1.00 75.42 H new ATOM 0 HD21 LEU A 39 15.886 -13.665 -6.076 1.00 34.41 H new ATOM 0 HD22 LEU A 39 17.508 -14.381 -5.924 1.00 34.41 H new ATOM 0 HD23 LEU A 39 16.243 -15.230 -6.845 1.00 34.41 H new ATOM 440 N HIS A 40 17.135 -16.731 -1.484 1.00 44.55 N ATOM 441 CA HIS A 40 16.957 -16.149 -0.178 1.00 33.33 C ATOM 442 C HIS A 40 16.915 -14.645 -0.255 1.00 15.33 C ATOM 443 O HIS A 40 17.873 -14.024 -0.713 1.00 55.31 O ATOM 444 CB HIS A 40 18.085 -16.532 0.719 1.00 50.30 C ATOM 445 CG HIS A 40 18.126 -17.985 1.101 1.00 14.14 C ATOM 446 ND1 HIS A 40 17.657 -18.452 2.297 1.00 35.30 N ATOM 447 CD2 HIS A 40 18.613 -19.066 0.443 1.00 60.34 C ATOM 448 CE1 HIS A 40 17.859 -19.764 2.346 1.00 60.01 C ATOM 449 NE2 HIS A 40 18.441 -20.197 1.240 1.00 42.14 N ATOM 0 H HIS A 40 18.103 -16.763 -1.803 1.00 44.55 H new ATOM 0 HA HIS A 40 16.012 -16.523 0.217 1.00 33.33 H new ATOM 0 HB2 HIS A 40 19.024 -16.274 0.228 1.00 50.30 H new ATOM 0 HB3 HIS A 40 18.026 -15.934 1.628 1.00 50.30 H new ATOM 0 HD1 HIS A 40 17.225 -17.888 3.029 1.00 35.30 H new ATOM 0 HD2 HIS A 40 19.061 -19.053 -0.539 1.00 60.34 H new ATOM 0 HE1 HIS A 40 17.584 -20.394 3.179 1.00 60.01 H new ATOM 457 N GLU A 41 15.822 -14.060 0.164 1.00 52.34 N ATOM 458 CA GLU A 41 15.699 -12.614 0.154 1.00 4.32 C ATOM 459 C GLU A 41 16.304 -12.010 1.420 1.00 62.14 C ATOM 460 O GLU A 41 16.772 -10.845 1.421 1.00 1.30 O ATOM 461 CB GLU A 41 14.245 -12.170 -0.017 1.00 11.23 C ATOM 462 CG GLU A 41 13.283 -12.691 1.044 1.00 73.33 C ATOM 463 CD GLU A 41 11.935 -12.048 0.919 1.00 40.43 C ATOM 464 OE1 GLU A 41 11.745 -10.946 1.476 1.00 75.41 O ATOM 465 OE2 GLU A 41 11.067 -12.576 0.195 1.00 2.13 O ATOM 0 H GLU A 41 15.003 -14.556 0.517 1.00 52.34 H new ATOM 0 HA GLU A 41 16.257 -12.245 -0.706 1.00 4.32 H new ATOM 0 HB2 GLU A 41 14.211 -11.081 -0.013 1.00 11.23 H new ATOM 0 HB3 GLU A 41 13.894 -12.497 -0.996 1.00 11.23 H new ATOM 0 HG2 GLU A 41 13.183 -13.772 0.948 1.00 73.33 H new ATOM 0 HG3 GLU A 41 13.691 -12.495 2.036 1.00 73.33 H new ATOM 472 N GLU A 42 16.280 -12.798 2.481 1.00 71.04 N ATOM 473 CA GLU A 42 16.777 -12.410 3.784 1.00 12.24 C ATOM 474 C GLU A 42 18.249 -12.795 3.927 1.00 14.35 C ATOM 475 O GLU A 42 18.986 -12.211 4.720 1.00 10.25 O ATOM 476 CB GLU A 42 15.905 -13.063 4.898 1.00 71.42 C ATOM 477 CG GLU A 42 16.093 -14.585 5.150 1.00 15.34 C ATOM 478 CD GLU A 42 16.057 -15.464 3.903 1.00 72.43 C ATOM 479 OE1 GLU A 42 15.259 -15.210 2.995 1.00 20.41 O ATOM 480 OE2 GLU A 42 16.875 -16.393 3.817 1.00 1.31 O ATOM 0 H GLU A 42 15.905 -13.746 2.457 1.00 71.04 H new ATOM 0 HA GLU A 42 16.708 -11.327 3.890 1.00 12.24 H new ATOM 0 HB2 GLU A 42 16.104 -12.539 5.833 1.00 71.42 H new ATOM 0 HB3 GLU A 42 14.858 -12.889 4.652 1.00 71.42 H new ATOM 0 HG2 GLU A 42 17.047 -14.737 5.654 1.00 15.34 H new ATOM 0 HG3 GLU A 42 15.314 -14.922 5.834 1.00 15.34 H new ATOM 487 N SER A 43 18.655 -13.767 3.151 1.00 64.13 N ATOM 488 CA SER A 43 20.013 -14.216 3.129 1.00 13.33 C ATOM 489 C SER A 43 20.773 -13.542 2.013 1.00 11.24 C ATOM 490 O SER A 43 20.196 -12.836 1.176 1.00 32.31 O ATOM 491 CB SER A 43 20.126 -15.720 3.036 1.00 0.55 C ATOM 492 OG SER A 43 19.490 -16.347 4.140 1.00 12.44 O ATOM 0 H SER A 43 18.041 -14.271 2.511 1.00 64.13 H new ATOM 0 HA SER A 43 20.462 -13.932 4.081 1.00 13.33 H new ATOM 0 HB2 SER A 43 19.673 -16.066 2.107 1.00 0.55 H new ATOM 0 HB3 SER A 43 21.177 -16.008 3.005 1.00 0.55 H new ATOM 0 HG SER A 43 18.523 -16.380 3.985 1.00 12.44 H new ATOM 498 N ASN A 44 22.058 -13.735 2.032 1.00 35.15 N ATOM 499 CA ASN A 44 22.968 -13.036 1.170 1.00 22.24 C ATOM 500 C ASN A 44 22.761 -13.342 -0.320 1.00 33.32 C ATOM 501 O ASN A 44 22.811 -14.486 -0.750 1.00 63.22 O ATOM 502 CB ASN A 44 24.404 -13.306 1.602 1.00 4.44 C ATOM 503 CG ASN A 44 25.409 -12.391 0.968 1.00 23.34 C ATOM 504 OD1 ASN A 44 25.886 -12.648 -0.102 1.00 44.54 O ATOM 505 ND2 ASN A 44 25.768 -11.338 1.653 1.00 43.21 N ATOM 0 H ASN A 44 22.514 -14.397 2.660 1.00 35.15 H new ATOM 0 HA ASN A 44 22.754 -11.972 1.276 1.00 22.24 H new ATOM 0 HB2 ASN A 44 24.472 -13.210 2.686 1.00 4.44 H new ATOM 0 HB3 ASN A 44 24.660 -14.337 1.357 1.00 4.44 H new ATOM 0 HD21 ASN A 44 26.475 -10.704 1.281 1.00 43.21 H new ATOM 0 HD22 ASN A 44 25.341 -11.150 2.560 1.00 43.21 H new ATOM 512 N LEU A 45 22.569 -12.285 -1.091 1.00 75.20 N ATOM 513 CA LEU A 45 22.336 -12.386 -2.525 1.00 23.41 C ATOM 514 C LEU A 45 23.615 -12.657 -3.316 1.00 30.25 C ATOM 515 O LEU A 45 23.550 -13.036 -4.463 1.00 11.32 O ATOM 516 CB LEU A 45 21.651 -11.127 -3.067 1.00 30.42 C ATOM 517 CG LEU A 45 20.253 -10.816 -2.533 1.00 40.54 C ATOM 518 CD1 LEU A 45 19.748 -9.512 -3.122 1.00 72.12 C ATOM 519 CD2 LEU A 45 19.285 -11.943 -2.859 1.00 1.31 C ATOM 0 H LEU A 45 22.570 -11.327 -0.740 1.00 75.20 H new ATOM 0 HA LEU A 45 21.676 -13.243 -2.661 1.00 23.41 H new ATOM 0 HB2 LEU A 45 22.293 -10.273 -2.854 1.00 30.42 H new ATOM 0 HB3 LEU A 45 21.588 -11.215 -4.152 1.00 30.42 H new ATOM 0 HG LEU A 45 20.315 -10.719 -1.449 1.00 40.54 H new ATOM 0 HD11 LEU A 45 18.751 -9.300 -2.735 1.00 72.12 H new ATOM 0 HD12 LEU A 45 20.424 -8.702 -2.847 1.00 72.12 H new ATOM 0 HD13 LEU A 45 19.705 -9.596 -4.208 1.00 72.12 H new ATOM 0 HD21 LEU A 45 18.297 -11.698 -2.469 1.00 1.31 H new ATOM 0 HD22 LEU A 45 19.227 -12.071 -3.940 1.00 1.31 H new ATOM 0 HD23 LEU A 45 19.637 -12.868 -2.402 1.00 1.31 H new ATOM 531 N ILE A 46 24.771 -12.487 -2.691 1.00 55.54 N ATOM 532 CA ILE A 46 26.052 -12.753 -3.370 1.00 42.13 C ATOM 533 C ILE A 46 26.299 -14.276 -3.301 1.00 0.00 C ATOM 534 O ILE A 46 27.177 -14.829 -3.950 1.00 44.24 O ATOM 535 CB ILE A 46 27.241 -11.960 -2.697 1.00 54.44 C ATOM 536 CG1 ILE A 46 26.897 -10.467 -2.533 1.00 75.45 C ATOM 537 CG2 ILE A 46 28.534 -12.084 -3.501 1.00 31.03 C ATOM 538 CD1 ILE A 46 26.724 -9.701 -3.831 1.00 21.10 C ATOM 0 H ILE A 46 24.859 -12.170 -1.726 1.00 55.54 H new ATOM 0 HA ILE A 46 26.004 -12.415 -4.405 1.00 42.13 H new ATOM 0 HB ILE A 46 27.391 -12.408 -1.715 1.00 54.44 H new ATOM 0 HG12 ILE A 46 25.977 -10.383 -1.954 1.00 75.45 H new ATOM 0 HG13 ILE A 46 27.685 -9.990 -1.950 1.00 75.45 H new ATOM 0 HG21 ILE A 46 29.326 -11.524 -3.004 1.00 31.03 H new ATOM 0 HG22 ILE A 46 28.820 -13.134 -3.571 1.00 31.03 H new ATOM 0 HG23 ILE A 46 28.380 -11.683 -4.503 1.00 31.03 H new ATOM 0 HD11 ILE A 46 26.484 -8.661 -3.610 1.00 21.10 H new ATOM 0 HD12 ILE A 46 27.649 -9.746 -4.406 1.00 21.10 H new ATOM 0 HD13 ILE A 46 25.915 -10.145 -4.410 1.00 21.10 H new ATOM 550 N GLN A 47 25.479 -14.935 -2.483 1.00 55.42 N ATOM 551 CA GLN A 47 25.472 -16.378 -2.360 1.00 74.12 C ATOM 552 C GLN A 47 24.487 -16.963 -3.374 1.00 51.22 C ATOM 553 O GLN A 47 24.378 -18.174 -3.554 1.00 64.43 O ATOM 554 CB GLN A 47 25.112 -16.789 -0.940 1.00 53.13 C ATOM 555 CG GLN A 47 26.151 -16.367 0.088 1.00 33.51 C ATOM 556 CD GLN A 47 25.762 -16.698 1.514 1.00 53.43 C ATOM 557 OE1 GLN A 47 24.594 -16.716 1.872 1.00 62.34 O ATOM 558 NE2 GLN A 47 26.740 -16.963 2.340 1.00 22.11 N ATOM 0 H GLN A 47 24.797 -14.470 -1.884 1.00 55.42 H new ATOM 0 HA GLN A 47 26.467 -16.769 -2.571 1.00 74.12 H new ATOM 0 HB2 GLN A 47 24.150 -16.351 -0.675 1.00 53.13 H new ATOM 0 HB3 GLN A 47 24.991 -17.872 -0.902 1.00 53.13 H new ATOM 0 HG2 GLN A 47 27.098 -16.854 -0.144 1.00 33.51 H new ATOM 0 HG3 GLN A 47 26.316 -15.293 0.005 1.00 33.51 H new ATOM 0 HE21 GLN A 47 27.705 -16.940 2.011 1.00 22.11 H new ATOM 0 HE22 GLN A 47 26.538 -17.193 3.313 1.00 22.11 H new ATOM 567 N ALA A 48 23.768 -16.065 -4.010 1.00 22.23 N ATOM 568 CA ALA A 48 22.813 -16.362 -5.040 1.00 23.43 C ATOM 569 C ALA A 48 23.390 -15.865 -6.344 1.00 41.32 C ATOM 570 O ALA A 48 24.526 -15.385 -6.376 1.00 10.31 O ATOM 571 CB ALA A 48 21.484 -15.669 -4.738 1.00 1.35 C ATOM 0 H ALA A 48 23.840 -15.067 -3.811 1.00 22.23 H new ATOM 0 HA ALA A 48 22.620 -17.433 -5.096 1.00 23.43 H new ATOM 0 HB1 ALA A 48 20.766 -15.900 -5.525 1.00 1.35 H new ATOM 0 HB2 ALA A 48 21.099 -16.021 -3.781 1.00 1.35 H new ATOM 0 HB3 ALA A 48 21.638 -14.591 -4.693 1.00 1.35 H new ATOM 577 N GLY A 49 22.652 -16.006 -7.415 1.00 3.43 N ATOM 578 CA GLY A 49 23.124 -15.532 -8.688 1.00 12.31 C ATOM 579 C GLY A 49 23.093 -14.020 -8.761 1.00 23.41 C ATOM 580 O GLY A 49 22.080 -13.429 -9.089 1.00 54.13 O ATOM 0 H GLY A 49 21.730 -16.441 -7.431 1.00 3.43 H new ATOM 0 HA2 GLY A 49 24.142 -15.885 -8.855 1.00 12.31 H new ATOM 0 HA3 GLY A 49 22.508 -15.949 -9.484 1.00 12.31 H new ATOM 584 N LEU A 50 24.155 -13.402 -8.394 1.00 11.45 N ATOM 585 CA LEU A 50 24.255 -11.997 -8.468 1.00 70.11 C ATOM 586 C LEU A 50 25.694 -11.610 -8.620 1.00 24.03 C ATOM 587 O LEU A 50 26.497 -11.801 -7.719 1.00 20.35 O ATOM 588 CB LEU A 50 23.628 -11.364 -7.229 1.00 24.15 C ATOM 589 CG LEU A 50 23.881 -9.867 -7.046 1.00 31.32 C ATOM 590 CD1 LEU A 50 23.150 -9.040 -8.083 1.00 52.52 C ATOM 591 CD2 LEU A 50 23.548 -9.415 -5.647 1.00 14.32 C ATOM 0 H LEU A 50 24.987 -13.866 -8.030 1.00 11.45 H new ATOM 0 HA LEU A 50 23.709 -11.629 -9.337 1.00 70.11 H new ATOM 0 HB2 LEU A 50 22.551 -11.530 -7.265 1.00 24.15 H new ATOM 0 HB3 LEU A 50 24.002 -11.887 -6.349 1.00 24.15 H new ATOM 0 HG LEU A 50 24.948 -9.704 -7.198 1.00 31.32 H new ATOM 0 HD11 LEU A 50 23.357 -7.983 -7.917 1.00 52.52 H new ATOM 0 HD12 LEU A 50 23.489 -9.324 -9.079 1.00 52.52 H new ATOM 0 HD13 LEU A 50 22.078 -9.217 -8.000 1.00 52.52 H new ATOM 0 HD21 LEU A 50 23.740 -8.346 -5.555 1.00 14.32 H new ATOM 0 HD22 LEU A 50 22.496 -9.614 -5.441 1.00 14.32 H new ATOM 0 HD23 LEU A 50 24.166 -9.958 -4.932 1.00 14.32 H new ATOM 603 N ASP A 51 26.004 -11.147 -9.791 1.00 3.35 N ATOM 604 CA ASP A 51 27.312 -10.656 -10.142 1.00 5.31 C ATOM 605 C ASP A 51 27.319 -9.148 -10.017 1.00 40.53 C ATOM 606 O ASP A 51 26.344 -8.558 -9.520 1.00 12.42 O ATOM 607 CB ASP A 51 27.674 -11.071 -11.562 1.00 54.15 C ATOM 608 CG ASP A 51 26.580 -10.737 -12.559 1.00 1.55 C ATOM 609 OD1 ASP A 51 26.286 -9.562 -12.762 1.00 74.24 O ATOM 610 OD2 ASP A 51 25.970 -11.666 -13.126 1.00 20.02 O ATOM 0 H ASP A 51 25.335 -11.096 -10.559 1.00 3.35 H new ATOM 0 HA ASP A 51 28.054 -11.083 -9.467 1.00 5.31 H new ATOM 0 HB2 ASP A 51 28.597 -10.573 -11.859 1.00 54.15 H new ATOM 0 HB3 ASP A 51 27.869 -12.143 -11.586 1.00 54.15 H new HETATM 615 N 4HJ A 52 28.341 -8.492 -10.514 1.00 71.02 N HETATM 616 CA 4HJ A 52 28.409 -7.083 -10.293 1.00 2.25 C HETATM 617 CAA 4HJ A 52 29.022 -10.328 -7.169 1.00 41.11 C HETATM 618 C 4HJ A 52 27.809 -6.321 -11.445 1.00 43.43 C HETATM 619 O 4HJ A 52 27.543 -5.114 -11.337 1.00 41.32 O HETATM 620 CB 4HJ A 52 29.815 -6.620 -9.929 1.00 62.42 C HETATM 621 OG 4HJ A 52 30.777 -7.048 -10.880 1.00 35.31 O HETATM 622 CZ1 4HJ A 52 29.872 -11.157 -7.862 1.00 20.02 C HETATM 623 CZ2 4HJ A 52 29.386 -9.034 -6.887 1.00 33.01 C HETATM 624 OZ 4HJ A 52 31.967 -11.551 -8.923 1.00 23.04 O HETATM 625 CJ 4HJ A 52 32.320 -3.708 -11.821 1.00 24.13 C HETATM 626 CK 4HJ A 52 32.742 -2.565 -10.868 1.00 54.12 C HETATM 627 CL1 4HJ A 52 33.119 -3.184 -9.511 1.00 70.41 C HETATM 628 CL2 4HJ A 52 31.523 -1.699 -10.677 1.00 21.02 C HETATM 629 CM 4HJ A 52 35.307 -2.352 -11.245 1.00 72.15 C HETATM 630 OM 4HJ A 52 33.930 -0.470 -10.986 1.00 75.01 O HETATM 631 NN 4HJ A 52 35.859 -3.170 -12.119 1.00 74.11 N HETATM 632 ON 4HJ A 52 35.864 -2.046 -10.192 1.00 64.42 O HETATM 633 P 4HJ A 52 31.392 -5.966 -11.867 1.00 3.34 P HETATM 634 O1P 4HJ A 52 30.490 -5.799 -13.012 1.00 75.44 O HETATM 635 O2P 4HJ A 52 32.719 -6.463 -12.292 1.00 72.23 O HETATM 636 O3P 4HJ A 52 31.564 -4.703 -11.131 1.00 51.12 O HETATM 637 CX 4HJ A 52 31.508 -9.378 -7.972 1.00 15.10 C HETATM 638 CL3 4HJ A 52 33.921 -1.760 -11.556 1.00 13.11 C HETATM 639 CO 4HJ A 52 35.657 -4.629 -12.080 1.00 13.10 C HETATM 640 CP 4HJ A 52 36.898 -5.438 -12.421 1.00 24.34 C HETATM 641 CQ 4HJ A 52 36.931 -6.816 -11.731 1.00 45.12 C HETATM 642 CS 4HJ A 52 35.010 -7.212 -10.160 1.00 34.41 C HETATM 643 CT 4HJ A 52 34.668 -6.789 -8.723 1.00 5.20 C HETATM 644 CV 4HJ A 52 32.832 -8.839 -8.378 1.00 42.42 C HETATM 645 CY1 4HJ A 52 31.124 -10.705 -8.258 1.00 64.15 C HETATM 646 CY2 4HJ A 52 30.621 -8.549 -7.290 1.00 43.21 C HETATM 647 NR 4HJ A 52 36.414 -6.879 -10.492 1.00 51.14 N HETATM 648 OR 4HJ A 52 37.431 -7.781 -12.287 1.00 24.12 O HETATM 649 OW 4HJ A 52 33.764 -9.563 -8.776 1.00 74.04 O HETATM 650 SU 4HJ A 52 32.962 -7.083 -8.243 1.00 14.22 S ATOM 680 N ILE A 53 27.590 -6.993 -12.528 1.00 75.53 N ATOM 681 CA ILE A 53 27.027 -6.356 -13.641 1.00 4.13 C ATOM 682 C ILE A 53 25.541 -6.246 -13.391 1.00 61.24 C ATOM 683 O ILE A 53 24.907 -5.280 -13.783 1.00 61.11 O ATOM 684 CB ILE A 53 27.398 -7.074 -14.971 1.00 62.25 C ATOM 685 CG1 ILE A 53 27.670 -6.066 -16.076 1.00 5.21 C ATOM 686 CG2 ILE A 53 26.367 -8.114 -15.435 1.00 1.30 C ATOM 687 CD1 ILE A 53 26.496 -5.170 -16.428 1.00 11.25 C ATOM 0 H ILE A 53 27.798 -7.984 -12.652 1.00 75.53 H new ATOM 0 HA ILE A 53 27.435 -5.353 -13.767 1.00 4.13 H new ATOM 0 HB ILE A 53 28.309 -7.632 -14.754 1.00 62.25 H new ATOM 0 HG12 ILE A 53 28.510 -5.439 -15.777 1.00 5.21 H new ATOM 0 HG13 ILE A 53 27.978 -6.605 -16.972 1.00 5.21 H new ATOM 0 HG21 ILE A 53 26.702 -8.567 -16.368 1.00 1.30 H new ATOM 0 HG22 ILE A 53 26.262 -8.887 -14.674 1.00 1.30 H new ATOM 0 HG23 ILE A 53 25.405 -7.627 -15.593 1.00 1.30 H new ATOM 0 HD11 ILE A 53 26.787 -4.486 -17.225 1.00 11.25 H new ATOM 0 HD12 ILE A 53 25.659 -5.782 -16.763 1.00 11.25 H new ATOM 0 HD13 ILE A 53 26.199 -4.598 -15.549 1.00 11.25 H new ATOM 699 N ARG A 54 24.992 -7.230 -12.689 1.00 0.51 N ATOM 700 CA ARG A 54 23.651 -7.120 -12.204 1.00 74.42 C ATOM 701 C ARG A 54 23.598 -6.003 -11.211 1.00 43.21 C ATOM 702 O ARG A 54 22.769 -5.128 -11.339 1.00 1.20 O ATOM 703 CB ARG A 54 23.117 -8.410 -11.576 1.00 1.10 C ATOM 704 CG ARG A 54 22.378 -9.329 -12.533 1.00 71.03 C ATOM 705 CD ARG A 54 23.271 -9.892 -13.605 1.00 73.13 C ATOM 706 NE ARG A 54 22.506 -10.706 -14.554 1.00 15.24 N ATOM 707 CZ ARG A 54 22.955 -11.795 -15.171 1.00 32.21 C ATOM 708 NH1 ARG A 54 24.168 -12.286 -14.901 1.00 52.22 N ATOM 709 NH2 ARG A 54 22.162 -12.407 -16.041 1.00 12.43 N ATOM 0 H ARG A 54 25.464 -8.103 -12.452 1.00 0.51 H new ATOM 0 HA ARG A 54 23.007 -6.919 -13.060 1.00 74.42 H new ATOM 0 HB2 ARG A 54 23.953 -8.958 -11.141 1.00 1.10 H new ATOM 0 HB3 ARG A 54 22.447 -8.148 -10.757 1.00 1.10 H new ATOM 0 HG2 ARG A 54 21.931 -10.149 -11.971 1.00 71.03 H new ATOM 0 HG3 ARG A 54 21.560 -8.779 -12.999 1.00 71.03 H new ATOM 0 HD2 ARG A 54 23.766 -9.078 -14.135 1.00 73.13 H new ATOM 0 HD3 ARG A 54 24.054 -10.498 -13.149 1.00 73.13 H new ATOM 0 HE ARG A 54 21.551 -10.413 -14.758 1.00 15.24 H new ATOM 0 HH11 ARG A 54 24.763 -11.825 -14.213 1.00 52.22 H new ATOM 0 HH12 ARG A 54 24.498 -13.122 -15.383 1.00 52.22 H new ATOM 0 HH21 ARG A 54 21.228 -12.041 -16.225 1.00 12.43 H new ATOM 0 HH22 ARG A 54 22.486 -13.244 -16.526 1.00 12.43 H new ATOM 723 N LEU A 55 24.546 -6.005 -10.269 1.00 24.22 N ATOM 724 CA LEU A 55 24.628 -4.982 -9.230 1.00 51.15 C ATOM 725 C LEU A 55 24.596 -3.586 -9.791 1.00 14.20 C ATOM 726 O LEU A 55 23.710 -2.810 -9.456 1.00 72.34 O ATOM 727 CB LEU A 55 25.892 -5.137 -8.389 1.00 55.20 C ATOM 728 CG LEU A 55 25.924 -6.275 -7.386 1.00 61.23 C ATOM 729 CD1 LEU A 55 27.313 -6.430 -6.830 1.00 71.04 C ATOM 730 CD2 LEU A 55 24.961 -5.995 -6.247 1.00 20.00 C ATOM 0 H LEU A 55 25.275 -6.716 -10.208 1.00 24.22 H new ATOM 0 HA LEU A 55 23.747 -5.129 -8.605 1.00 51.15 H new ATOM 0 HB2 LEU A 55 26.736 -5.261 -9.068 1.00 55.20 H new ATOM 0 HB3 LEU A 55 26.053 -4.205 -7.847 1.00 55.20 H new ATOM 0 HG LEU A 55 25.628 -7.193 -7.893 1.00 61.23 H new ATOM 0 HD11 LEU A 55 27.328 -7.249 -6.111 1.00 71.04 H new ATOM 0 HD12 LEU A 55 28.008 -6.647 -7.641 1.00 71.04 H new ATOM 0 HD13 LEU A 55 27.612 -5.506 -6.334 1.00 71.04 H new ATOM 0 HD21 LEU A 55 24.992 -6.818 -5.533 1.00 20.00 H new ATOM 0 HD22 LEU A 55 25.248 -5.070 -5.747 1.00 20.00 H new ATOM 0 HD23 LEU A 55 23.950 -5.895 -6.642 1.00 20.00 H new ATOM 742 N MET A 56 25.505 -3.279 -10.696 1.00 53.12 N ATOM 743 CA MET A 56 25.629 -1.895 -11.149 1.00 21.22 C ATOM 744 C MET A 56 24.496 -1.509 -12.074 1.00 42.32 C ATOM 745 O MET A 56 24.147 -0.332 -12.214 1.00 31.02 O ATOM 746 CB MET A 56 27.009 -1.629 -11.741 1.00 31.23 C ATOM 747 CG MET A 56 28.111 -2.144 -10.825 1.00 11.21 C ATOM 748 SD MET A 56 27.810 -1.730 -9.091 1.00 1.03 S ATOM 749 CE MET A 56 28.979 -2.796 -8.253 1.00 11.14 C ATOM 0 H MET A 56 26.153 -3.940 -11.125 1.00 53.12 H new ATOM 0 HA MET A 56 25.539 -1.243 -10.280 1.00 21.22 H new ATOM 0 HB2 MET A 56 27.088 -2.111 -12.716 1.00 31.23 H new ATOM 0 HB3 MET A 56 27.138 -0.559 -11.903 1.00 31.23 H new ATOM 0 HG2 MET A 56 28.191 -3.226 -10.929 1.00 11.21 H new ATOM 0 HG3 MET A 56 29.066 -1.722 -11.137 1.00 11.21 H new ATOM 0 HE1 MET A 56 28.718 -2.863 -7.197 1.00 11.14 H new ATOM 0 HE2 MET A 56 28.948 -3.791 -8.698 1.00 11.14 H new ATOM 0 HE3 MET A 56 29.983 -2.384 -8.353 1.00 11.14 H new ATOM 759 N ARG A 57 23.892 -2.513 -12.651 1.00 43.44 N ATOM 760 CA ARG A 57 22.726 -2.368 -13.466 1.00 50.41 C ATOM 761 C ARG A 57 21.552 -1.989 -12.589 1.00 64.02 C ATOM 762 O ARG A 57 20.748 -1.157 -12.959 1.00 53.51 O ATOM 763 CB ARG A 57 22.484 -3.673 -14.111 1.00 61.25 C ATOM 764 CG ARG A 57 21.350 -3.752 -15.056 1.00 14.42 C ATOM 765 CD ARG A 57 21.607 -4.951 -15.869 1.00 14.50 C ATOM 766 NE ARG A 57 20.485 -5.370 -16.698 1.00 23.32 N ATOM 767 CZ ARG A 57 20.054 -6.641 -16.763 1.00 3.30 C ATOM 768 NH1 ARG A 57 20.612 -7.583 -15.993 1.00 71.33 N ATOM 769 NH2 ARG A 57 19.078 -6.974 -17.579 1.00 31.04 N ATOM 0 H ARG A 57 24.210 -3.478 -12.562 1.00 43.44 H new ATOM 0 HA ARG A 57 22.857 -1.591 -14.219 1.00 50.41 H new ATOM 0 HB2 ARG A 57 23.390 -3.961 -14.644 1.00 61.25 H new ATOM 0 HB3 ARG A 57 22.325 -4.414 -13.328 1.00 61.25 H new ATOM 0 HG2 ARG A 57 20.401 -3.832 -14.526 1.00 14.42 H new ATOM 0 HG3 ARG A 57 21.293 -2.859 -15.678 1.00 14.42 H new ATOM 0 HD2 ARG A 57 22.467 -4.761 -16.512 1.00 14.50 H new ATOM 0 HD3 ARG A 57 21.880 -5.772 -15.206 1.00 14.50 H new ATOM 0 HE ARG A 57 20.003 -4.665 -17.256 1.00 23.32 H new ATOM 0 HH11 ARG A 57 21.368 -7.337 -15.353 1.00 71.33 H new ATOM 0 HH12 ARG A 57 20.282 -8.547 -16.046 1.00 71.33 H new ATOM 0 HH21 ARG A 57 18.642 -6.265 -18.169 1.00 31.04 H new ATOM 0 HH22 ARG A 57 18.757 -7.941 -17.622 1.00 31.04 H new ATOM 783 N TRP A 58 21.484 -2.612 -11.409 1.00 34.54 N ATOM 784 CA TRP A 58 20.470 -2.299 -10.408 1.00 4.31 C ATOM 785 C TRP A 58 20.548 -0.863 -9.985 1.00 30.44 C ATOM 786 O TRP A 58 19.539 -0.158 -10.050 1.00 10.53 O ATOM 787 CB TRP A 58 20.497 -3.287 -9.226 1.00 22.22 C ATOM 788 CG TRP A 58 20.138 -4.685 -9.657 1.00 1.34 C ATOM 789 CD1 TRP A 58 20.776 -5.835 -9.315 1.00 53.24 C ATOM 790 CD2 TRP A 58 19.063 -5.073 -10.549 1.00 64.32 C ATOM 791 NE1 TRP A 58 20.199 -6.908 -9.954 1.00 13.35 N ATOM 792 CE2 TRP A 58 19.142 -6.462 -10.709 1.00 12.24 C ATOM 793 CE3 TRP A 58 18.043 -4.378 -11.232 1.00 5.05 C ATOM 794 CZ2 TRP A 58 18.258 -7.169 -11.521 1.00 13.21 C ATOM 795 CZ3 TRP A 58 17.169 -5.084 -12.024 1.00 51.22 C ATOM 796 CH2 TRP A 58 17.282 -6.462 -12.165 1.00 71.11 C ATOM 0 H TRP A 58 22.132 -3.347 -11.124 1.00 34.54 H new ATOM 0 HA TRP A 58 19.492 -2.430 -10.872 1.00 4.31 H new ATOM 0 HB2 TRP A 58 21.490 -3.289 -8.777 1.00 22.22 H new ATOM 0 HB3 TRP A 58 19.800 -2.953 -8.457 1.00 22.22 H new ATOM 0 HD1 TRP A 58 21.616 -5.898 -8.639 1.00 53.24 H new ATOM 0 HE1 TRP A 58 20.506 -7.878 -9.879 1.00 13.35 H new ATOM 0 HE3 TRP A 58 17.950 -3.306 -11.134 1.00 5.05 H new ATOM 0 HZ2 TRP A 58 18.341 -8.239 -11.638 1.00 13.21 H new ATOM 0 HZ3 TRP A 58 16.382 -4.559 -12.545 1.00 51.22 H new ATOM 0 HH2 TRP A 58 16.582 -6.986 -12.798 1.00 71.11 H new ATOM 807 N LEU A 59 21.749 -0.396 -9.642 1.00 31.43 N ATOM 808 CA LEU A 59 21.974 1.023 -9.252 1.00 74.43 C ATOM 809 C LEU A 59 21.407 1.953 -10.272 1.00 33.12 C ATOM 810 O LEU A 59 20.694 2.887 -9.946 1.00 31.13 O ATOM 811 CB LEU A 59 23.471 1.356 -9.118 1.00 44.53 C ATOM 812 CG LEU A 59 24.169 0.984 -7.823 1.00 32.11 C ATOM 813 CD1 LEU A 59 23.618 1.791 -6.664 1.00 1.22 C ATOM 814 CD2 LEU A 59 24.043 -0.486 -7.564 1.00 1.44 C ATOM 0 H LEU A 59 22.592 -0.970 -9.622 1.00 31.43 H new ATOM 0 HA LEU A 59 21.479 1.150 -8.289 1.00 74.43 H new ATOM 0 HB2 LEU A 59 23.998 0.863 -9.935 1.00 44.53 H new ATOM 0 HB3 LEU A 59 23.589 2.430 -9.265 1.00 44.53 H new ATOM 0 HG LEU A 59 25.228 1.222 -7.921 1.00 32.11 H new ATOM 0 HD11 LEU A 59 24.133 1.508 -5.746 1.00 1.22 H new ATOM 0 HD12 LEU A 59 23.773 2.853 -6.854 1.00 1.22 H new ATOM 0 HD13 LEU A 59 22.551 1.593 -6.557 1.00 1.22 H new ATOM 0 HD21 LEU A 59 24.549 -0.736 -6.631 1.00 1.44 H new ATOM 0 HD22 LEU A 59 22.989 -0.753 -7.488 1.00 1.44 H new ATOM 0 HD23 LEU A 59 24.499 -1.040 -8.384 1.00 1.44 H new ATOM 826 N HIS A 60 21.713 1.654 -11.493 1.00 14.10 N ATOM 827 CA HIS A 60 21.338 2.433 -12.634 1.00 42.21 C ATOM 828 C HIS A 60 19.816 2.339 -12.892 1.00 42.13 C ATOM 829 O HIS A 60 19.175 3.318 -13.269 1.00 3.43 O ATOM 830 CB HIS A 60 22.124 1.874 -13.808 1.00 21.35 C ATOM 831 CG HIS A 60 22.036 2.665 -15.085 1.00 52.21 C ATOM 832 ND1 HIS A 60 20.939 2.675 -15.923 1.00 54.43 N ATOM 833 CD2 HIS A 60 22.943 3.485 -15.655 1.00 20.22 C ATOM 834 CE1 HIS A 60 21.214 3.482 -16.951 1.00 72.44 C ATOM 835 NE2 HIS A 60 22.420 4.000 -16.837 1.00 42.11 N ATOM 0 H HIS A 60 22.255 0.824 -11.735 1.00 14.10 H new ATOM 0 HA HIS A 60 21.560 3.489 -12.479 1.00 42.21 H new ATOM 0 HB2 HIS A 60 23.172 1.801 -13.518 1.00 21.35 H new ATOM 0 HB3 HIS A 60 21.776 0.860 -14.005 1.00 21.35 H new ATOM 0 HD2 HIS A 60 23.922 3.707 -15.256 1.00 20.22 H new ATOM 0 HE1 HIS A 60 20.537 3.683 -17.768 1.00 72.44 H new ATOM 0 HE2 HIS A 60 22.876 4.645 -17.482 1.00 42.11 H new ATOM 843 N TRP A 61 19.270 1.172 -12.643 1.00 25.01 N ATOM 844 CA TRP A 61 17.877 0.859 -12.891 1.00 4.31 C ATOM 845 C TRP A 61 16.964 1.690 -12.001 1.00 51.15 C ATOM 846 O TRP A 61 16.073 2.363 -12.485 1.00 24.01 O ATOM 847 CB TRP A 61 17.641 -0.642 -12.678 1.00 23.33 C ATOM 848 CG TRP A 61 16.261 -1.102 -13.053 1.00 44.23 C ATOM 849 CD1 TRP A 61 15.720 -1.129 -14.305 1.00 0.24 C ATOM 850 CD2 TRP A 61 15.260 -1.620 -12.176 1.00 72.41 C ATOM 851 NE1 TRP A 61 14.436 -1.611 -14.253 1.00 40.32 N ATOM 852 CE2 TRP A 61 14.132 -1.924 -12.957 1.00 22.43 C ATOM 853 CE3 TRP A 61 15.210 -1.847 -10.810 1.00 42.43 C ATOM 854 CZ2 TRP A 61 12.965 -2.447 -12.409 1.00 32.20 C ATOM 855 CZ3 TRP A 61 14.057 -2.366 -10.264 1.00 11.23 C ATOM 856 CH2 TRP A 61 12.949 -2.660 -11.063 1.00 61.01 C ATOM 0 H TRP A 61 19.795 0.390 -12.251 1.00 25.01 H new ATOM 0 HA TRP A 61 17.637 1.109 -13.925 1.00 4.31 H new ATOM 0 HB2 TRP A 61 18.371 -1.201 -13.264 1.00 23.33 H new ATOM 0 HB3 TRP A 61 17.821 -0.883 -11.630 1.00 23.33 H new ATOM 0 HD1 TRP A 61 16.228 -0.817 -15.206 1.00 0.24 H new ATOM 0 HE1 TRP A 61 13.810 -1.718 -15.051 1.00 40.32 H new ATOM 0 HE3 TRP A 61 16.061 -1.621 -10.184 1.00 42.43 H new ATOM 0 HZ2 TRP A 61 12.107 -2.675 -13.025 1.00 32.20 H new ATOM 0 HZ3 TRP A 61 14.008 -2.549 -9.201 1.00 11.23 H new ATOM 0 HH2 TRP A 61 12.060 -3.065 -10.603 1.00 61.01 H new ATOM 867 N PHE A 62 17.192 1.653 -10.708 1.00 61.45 N ATOM 868 CA PHE A 62 16.414 2.473 -9.792 1.00 4.44 C ATOM 869 C PHE A 62 16.822 3.926 -9.792 1.00 21.32 C ATOM 870 O PHE A 62 15.998 4.790 -9.492 1.00 55.35 O ATOM 871 CB PHE A 62 16.196 1.872 -8.376 1.00 14.34 C ATOM 872 CG PHE A 62 17.177 0.864 -7.926 1.00 44.41 C ATOM 873 CD1 PHE A 62 18.391 1.226 -7.376 1.00 51.41 C ATOM 874 CD2 PHE A 62 16.878 -0.467 -8.080 1.00 0.13 C ATOM 875 CE1 PHE A 62 19.288 0.250 -6.989 1.00 52.32 C ATOM 876 CE2 PHE A 62 17.759 -1.436 -7.719 1.00 0.23 C ATOM 877 CZ PHE A 62 18.962 -1.088 -7.172 1.00 50.35 C ATOM 0 H PHE A 62 17.902 1.071 -10.264 1.00 61.45 H new ATOM 0 HA PHE A 62 15.411 2.454 -10.217 1.00 4.44 H new ATOM 0 HB2 PHE A 62 16.194 2.690 -7.656 1.00 14.34 H new ATOM 0 HB3 PHE A 62 15.205 1.419 -8.347 1.00 14.34 H new ATOM 0 HD1 PHE A 62 18.638 2.270 -7.249 1.00 51.41 H new ATOM 0 HD2 PHE A 62 15.923 -0.750 -8.497 1.00 0.13 H new ATOM 0 HE1 PHE A 62 20.235 0.524 -6.548 1.00 52.32 H new ATOM 0 HE2 PHE A 62 17.510 -2.477 -7.864 1.00 0.23 H new ATOM 0 HZ PHE A 62 19.662 -1.857 -6.881 1.00 50.35 H new ATOM 887 N ARG A 63 18.069 4.202 -10.192 1.00 13.41 N ATOM 888 CA ARG A 63 18.661 5.567 -10.199 1.00 33.31 C ATOM 889 C ARG A 63 17.719 6.609 -10.814 1.00 63.30 C ATOM 890 O ARG A 63 17.732 7.757 -10.402 1.00 31.20 O ATOM 891 CB ARG A 63 19.984 5.590 -10.963 1.00 2.24 C ATOM 892 CG ARG A 63 20.965 6.651 -10.487 1.00 54.11 C ATOM 893 CD ARG A 63 21.391 6.357 -9.053 1.00 21.12 C ATOM 894 NE ARG A 63 22.460 7.239 -8.564 1.00 63.35 N ATOM 895 CZ ARG A 63 23.289 6.914 -7.556 1.00 44.12 C ATOM 896 NH1 ARG A 63 23.161 5.730 -6.951 1.00 45.43 N ATOM 897 NH2 ARG A 63 24.239 7.769 -7.156 1.00 74.22 N ATOM 0 H ARG A 63 18.712 3.484 -10.526 1.00 13.41 H new ATOM 0 HA ARG A 63 18.832 5.827 -9.154 1.00 33.31 H new ATOM 0 HB2 ARG A 63 20.456 4.611 -10.878 1.00 2.24 H new ATOM 0 HB3 ARG A 63 19.776 5.753 -12.021 1.00 2.24 H new ATOM 0 HG2 ARG A 63 21.839 6.670 -11.139 1.00 54.11 H new ATOM 0 HG3 ARG A 63 20.504 7.637 -10.544 1.00 54.11 H new ATOM 0 HD2 ARG A 63 20.525 6.453 -8.399 1.00 21.12 H new ATOM 0 HD3 ARG A 63 21.727 5.322 -8.988 1.00 21.12 H new ATOM 0 HE ARG A 63 22.580 8.147 -9.013 1.00 63.35 H new ATOM 0 HH11 ARG A 63 22.438 5.078 -7.254 1.00 45.43 H new ATOM 0 HH12 ARG A 63 23.787 5.478 -6.186 1.00 45.43 H new ATOM 0 HH21 ARG A 63 24.338 8.674 -7.617 1.00 74.22 H new ATOM 0 HH22 ARG A 63 24.864 7.515 -6.391 1.00 74.22 H new ATOM 911 N LYS A 64 16.887 6.178 -11.771 1.00 13.01 N ATOM 912 CA LYS A 64 15.879 7.057 -12.416 1.00 4.31 C ATOM 913 C LYS A 64 14.904 7.769 -11.435 1.00 63.41 C ATOM 914 O LYS A 64 14.217 8.695 -11.818 1.00 51.20 O ATOM 915 CB LYS A 64 15.108 6.335 -13.567 1.00 3.31 C ATOM 916 CG LYS A 64 14.591 4.921 -13.257 1.00 43.43 C ATOM 917 CD LYS A 64 13.675 4.871 -12.047 1.00 70.12 C ATOM 918 CE LYS A 64 13.285 3.434 -11.686 1.00 64.33 C ATOM 919 NZ LYS A 64 12.587 3.360 -10.382 1.00 41.55 N ATOM 0 H LYS A 64 16.886 5.221 -12.124 1.00 13.01 H new ATOM 0 HA LYS A 64 16.472 7.858 -12.857 1.00 4.31 H new ATOM 0 HB2 LYS A 64 14.258 6.955 -13.851 1.00 3.31 H new ATOM 0 HB3 LYS A 64 15.765 6.277 -14.435 1.00 3.31 H new ATOM 0 HG2 LYS A 64 14.056 4.538 -14.126 1.00 43.43 H new ATOM 0 HG3 LYS A 64 15.441 4.259 -13.089 1.00 43.43 H new ATOM 0 HD2 LYS A 64 14.172 5.337 -11.196 1.00 70.12 H new ATOM 0 HD3 LYS A 64 12.775 5.452 -12.248 1.00 70.12 H new ATOM 0 HE2 LYS A 64 12.641 3.026 -12.465 1.00 64.33 H new ATOM 0 HE3 LYS A 64 14.180 2.813 -11.654 1.00 64.33 H new ATOM 0 HZ1 LYS A 64 12.901 2.512 -9.868 1.00 41.55 H new ATOM 0 HZ2 LYS A 64 12.809 4.207 -9.821 1.00 41.55 H new ATOM 0 HZ3 LYS A 64 11.560 3.309 -10.540 1.00 41.55 H new ATOM 933 N ASN A 65 14.836 7.312 -10.193 1.00 72.15 N ATOM 934 CA ASN A 65 13.946 7.936 -9.206 1.00 43.03 C ATOM 935 C ASN A 65 14.761 8.723 -8.171 1.00 74.23 C ATOM 936 O ASN A 65 14.233 9.280 -7.230 1.00 23.34 O ATOM 937 CB ASN A 65 13.039 6.867 -8.548 1.00 11.25 C ATOM 938 CG ASN A 65 11.982 7.433 -7.580 1.00 23.21 C ATOM 939 OD1 ASN A 65 10.909 7.857 -8.002 1.00 11.52 O ATOM 940 ND2 ASN A 65 12.241 7.372 -6.295 1.00 44.34 N ATOM 0 H ASN A 65 15.376 6.522 -9.841 1.00 72.15 H new ATOM 0 HA ASN A 65 13.294 8.648 -9.711 1.00 43.03 H new ATOM 0 HB2 ASN A 65 12.531 6.307 -9.333 1.00 11.25 H new ATOM 0 HB3 ASN A 65 13.667 6.159 -8.007 1.00 11.25 H new ATOM 0 HD21 ASN A 65 11.543 7.681 -5.619 1.00 44.34 H new ATOM 0 HD22 ASN A 65 13.141 7.015 -5.972 1.00 44.34 H new ATOM 947 N GLY A 66 16.058 8.777 -8.378 1.00 2.14 N ATOM 948 CA GLY A 66 16.909 9.518 -7.475 1.00 54.52 C ATOM 949 C GLY A 66 17.250 8.757 -6.207 1.00 4.11 C ATOM 950 O GLY A 66 17.464 9.362 -5.153 1.00 60.31 O ATOM 0 H GLY A 66 16.541 8.323 -9.153 1.00 2.14 H new ATOM 0 HA2 GLY A 66 17.832 9.781 -7.991 1.00 54.52 H new ATOM 0 HA3 GLY A 66 16.416 10.453 -7.208 1.00 54.52 H new ATOM 954 N TYR A 67 17.294 7.429 -6.300 1.00 52.24 N ATOM 955 CA TYR A 67 17.684 6.611 -5.164 1.00 51.41 C ATOM 956 C TYR A 67 19.144 6.886 -4.805 1.00 1.52 C ATOM 957 O TYR A 67 20.043 6.797 -5.656 1.00 53.25 O ATOM 958 CB TYR A 67 17.466 5.115 -5.434 1.00 33.03 C ATOM 959 CG TYR A 67 16.014 4.657 -5.516 1.00 11.12 C ATOM 960 CD1 TYR A 67 15.306 4.312 -4.381 1.00 13.54 C ATOM 961 CD2 TYR A 67 15.375 4.525 -6.725 1.00 52.35 C ATOM 962 CE1 TYR A 67 14.004 3.849 -4.471 1.00 61.41 C ATOM 963 CE2 TYR A 67 14.078 4.072 -6.821 1.00 11.41 C ATOM 964 CZ TYR A 67 13.399 3.734 -5.703 1.00 41.31 C ATOM 965 OH TYR A 67 12.106 3.260 -5.805 1.00 4.55 O ATOM 0 H TYR A 67 17.066 6.905 -7.145 1.00 52.24 H new ATOM 0 HA TYR A 67 17.048 6.881 -4.321 1.00 51.41 H new ATOM 0 HB2 TYR A 67 17.961 4.859 -6.371 1.00 33.03 H new ATOM 0 HB3 TYR A 67 17.962 4.548 -4.646 1.00 33.03 H new ATOM 0 HD1 TYR A 67 15.774 4.404 -3.412 1.00 13.54 H new ATOM 0 HD2 TYR A 67 15.907 4.785 -7.629 1.00 52.35 H new ATOM 0 HE1 TYR A 67 13.463 3.578 -3.576 1.00 61.41 H new ATOM 0 HE2 TYR A 67 13.605 3.987 -7.788 1.00 11.41 H new ATOM 0 HH TYR A 67 12.124 2.311 -6.047 1.00 4.55 H new ATOM 975 N ARG A 68 19.366 7.231 -3.565 1.00 62.13 N ATOM 976 CA ARG A 68 20.684 7.597 -3.076 1.00 12.05 C ATOM 977 C ARG A 68 21.371 6.359 -2.523 1.00 64.42 C ATOM 978 O ARG A 68 20.969 5.850 -1.479 1.00 22.31 O ATOM 979 CB ARG A 68 20.540 8.592 -1.934 1.00 24.12 C ATOM 980 CG ARG A 68 19.552 9.725 -2.187 1.00 42.43 C ATOM 981 CD ARG A 68 19.317 10.540 -0.924 1.00 44.34 C ATOM 982 NE ARG A 68 18.208 11.506 -1.082 1.00 64.45 N ATOM 983 CZ ARG A 68 17.448 11.962 -0.056 1.00 54.22 C ATOM 984 NH1 ARG A 68 17.709 11.597 1.184 1.00 23.31 N ATOM 985 NH2 ARG A 68 16.424 12.787 -0.291 1.00 75.52 N ATOM 0 H ARG A 68 18.636 7.269 -2.854 1.00 62.13 H new ATOM 0 HA ARG A 68 21.262 8.030 -3.893 1.00 12.05 H new ATOM 0 HB2 ARG A 68 20.230 8.053 -1.039 1.00 24.12 H new ATOM 0 HB3 ARG A 68 21.518 9.024 -1.723 1.00 24.12 H new ATOM 0 HG2 ARG A 68 19.932 10.373 -2.976 1.00 42.43 H new ATOM 0 HG3 ARG A 68 18.606 9.314 -2.540 1.00 42.43 H new ATOM 0 HD2 ARG A 68 19.096 9.867 -0.095 1.00 44.34 H new ATOM 0 HD3 ARG A 68 20.230 11.076 -0.664 1.00 44.34 H new ATOM 0 HE ARG A 68 18.003 11.850 -2.020 1.00 64.45 H new ATOM 0 HH11 ARG A 68 18.488 10.967 1.377 1.00 23.31 H new ATOM 0 HH12 ARG A 68 17.132 11.945 1.950 1.00 23.31 H new ATOM 0 HH21 ARG A 68 16.211 13.076 -1.246 1.00 75.52 H new ATOM 0 HH22 ARG A 68 15.855 13.127 0.484 1.00 75.52 H new ATOM 999 N LEU A 69 22.347 5.847 -3.232 1.00 63.30 N ATOM 1000 CA LEU A 69 23.098 4.680 -2.778 1.00 42.21 C ATOM 1001 C LEU A 69 24.350 4.496 -3.552 1.00 4.13 C ATOM 1002 O LEU A 69 24.389 4.708 -4.777 1.00 4.11 O ATOM 1003 CB LEU A 69 22.248 3.358 -2.672 1.00 54.24 C ATOM 1004 CG LEU A 69 21.593 2.757 -3.937 1.00 2.53 C ATOM 1005 CD1 LEU A 69 20.848 1.485 -3.576 1.00 51.24 C ATOM 1006 CD2 LEU A 69 20.629 3.722 -4.587 1.00 61.24 C ATOM 0 H LEU A 69 22.649 6.216 -4.134 1.00 63.30 H new ATOM 0 HA LEU A 69 23.380 4.901 -1.749 1.00 42.21 H new ATOM 0 HB2 LEU A 69 22.894 2.591 -2.246 1.00 54.24 H new ATOM 0 HB3 LEU A 69 21.452 3.541 -1.951 1.00 54.24 H new ATOM 0 HG LEU A 69 22.392 2.542 -4.646 1.00 2.53 H new ATOM 0 HD11 LEU A 69 20.388 1.066 -4.471 1.00 51.24 H new ATOM 0 HD12 LEU A 69 21.546 0.762 -3.154 1.00 51.24 H new ATOM 0 HD13 LEU A 69 20.074 1.712 -2.843 1.00 51.24 H new ATOM 0 HD21 LEU A 69 20.192 3.259 -5.472 1.00 61.24 H new ATOM 0 HD22 LEU A 69 19.838 3.976 -3.882 1.00 61.24 H new ATOM 0 HD23 LEU A 69 21.161 4.628 -4.877 1.00 61.24 H new ATOM 1018 N THR A 70 25.385 4.203 -2.831 1.00 15.34 N ATOM 1019 CA THR A 70 26.647 3.914 -3.386 1.00 55.14 C ATOM 1020 C THR A 70 26.694 2.393 -3.505 1.00 33.13 C ATOM 1021 O THR A 70 25.798 1.713 -3.028 1.00 44.41 O ATOM 1022 CB THR A 70 27.771 4.415 -2.436 1.00 52.20 C ATOM 1023 OG1 THR A 70 27.337 5.628 -1.818 1.00 40.23 O ATOM 1024 CG2 THR A 70 29.064 4.700 -3.197 1.00 74.30 C ATOM 0 H THR A 70 25.364 4.160 -1.812 1.00 15.34 H new ATOM 0 HA THR A 70 26.795 4.402 -4.350 1.00 55.14 H new ATOM 0 HB THR A 70 27.967 3.637 -1.698 1.00 52.20 H new ATOM 0 HG1 THR A 70 26.750 5.418 -1.062 1.00 40.23 H new ATOM 0 HG21 THR A 70 29.827 5.048 -2.501 1.00 74.30 H new ATOM 0 HG22 THR A 70 29.407 3.788 -3.685 1.00 74.30 H new ATOM 0 HG23 THR A 70 28.882 5.468 -3.949 1.00 74.30 H new ATOM 1032 N LEU A 71 27.733 1.879 -4.057 1.00 23.50 N ATOM 1033 CA LEU A 71 27.832 0.457 -4.357 1.00 42.04 C ATOM 1034 C LEU A 71 28.075 -0.334 -3.083 1.00 14.20 C ATOM 1035 O LEU A 71 27.710 -1.495 -2.956 1.00 65.41 O ATOM 1036 CB LEU A 71 28.949 0.178 -5.382 1.00 1.50 C ATOM 1037 CG LEU A 71 28.896 0.971 -6.714 1.00 13.24 C ATOM 1038 CD1 LEU A 71 27.505 0.981 -7.285 1.00 43.41 C ATOM 1039 CD2 LEU A 71 29.386 2.382 -6.547 1.00 51.32 C ATOM 0 H LEU A 71 28.556 2.419 -4.324 1.00 23.50 H new ATOM 0 HA LEU A 71 26.887 0.139 -4.797 1.00 42.04 H new ATOM 0 HB2 LEU A 71 29.907 0.383 -4.904 1.00 1.50 H new ATOM 0 HB3 LEU A 71 28.933 -0.886 -5.620 1.00 1.50 H new ATOM 0 HG LEU A 71 29.562 0.459 -7.409 1.00 13.24 H new ATOM 0 HD11 LEU A 71 27.499 1.544 -8.218 1.00 43.41 H new ATOM 0 HD12 LEU A 71 27.183 -0.043 -7.477 1.00 43.41 H new ATOM 0 HD13 LEU A 71 26.823 1.449 -6.575 1.00 43.41 H new ATOM 0 HD21 LEU A 71 29.332 2.902 -7.504 1.00 51.32 H new ATOM 0 HD22 LEU A 71 28.763 2.899 -5.817 1.00 51.32 H new ATOM 0 HD23 LEU A 71 30.419 2.370 -6.199 1.00 51.32 H new ATOM 1051 N ARG A 72 28.640 0.369 -2.137 1.00 75.20 N ATOM 1052 CA ARG A 72 29.002 -0.127 -0.810 1.00 71.24 C ATOM 1053 C ARG A 72 27.761 -0.629 -0.087 1.00 55.32 C ATOM 1054 O ARG A 72 27.793 -1.652 0.556 1.00 54.22 O ATOM 1055 CB ARG A 72 29.618 1.042 -0.046 1.00 1.04 C ATOM 1056 CG ARG A 72 29.878 0.826 1.437 1.00 42.21 C ATOM 1057 CD ARG A 72 30.204 2.163 2.091 1.00 32.22 C ATOM 1058 NE ARG A 72 29.129 3.132 1.820 1.00 44.20 N ATOM 1059 CZ ARG A 72 29.236 4.452 1.708 1.00 72.35 C ATOM 1060 NH1 ARG A 72 30.382 5.075 2.016 1.00 10.12 N ATOM 1061 NH2 ARG A 72 28.180 5.147 1.293 1.00 22.54 N ATOM 0 H ARG A 72 28.877 1.353 -2.265 1.00 75.20 H new ATOM 0 HA ARG A 72 29.707 -0.955 -0.883 1.00 71.24 H new ATOM 0 HB2 ARG A 72 30.563 1.300 -0.523 1.00 1.04 H new ATOM 0 HB3 ARG A 72 28.960 1.904 -0.154 1.00 1.04 H new ATOM 0 HG2 ARG A 72 29.003 0.380 1.910 1.00 42.21 H new ATOM 0 HG3 ARG A 72 30.705 0.129 1.575 1.00 42.21 H new ATOM 0 HD2 ARG A 72 30.324 2.031 3.166 1.00 32.22 H new ATOM 0 HD3 ARG A 72 31.152 2.543 1.709 1.00 32.22 H new ATOM 0 HE ARG A 72 28.192 2.745 1.705 1.00 44.20 H new ATOM 0 HH11 ARG A 72 31.185 4.535 2.341 1.00 10.12 H new ATOM 0 HH12 ARG A 72 30.452 6.089 1.926 1.00 10.12 H new ATOM 0 HH21 ARG A 72 27.309 4.666 1.068 1.00 22.54 H new ATOM 0 HH22 ARG A 72 28.241 6.161 1.200 1.00 22.54 H new ATOM 1075 N GLU A 73 26.692 0.114 -0.236 1.00 63.05 N ATOM 1076 CA GLU A 73 25.393 -0.168 0.348 1.00 10.12 C ATOM 1077 C GLU A 73 24.923 -1.569 -0.018 1.00 22.42 C ATOM 1078 O GLU A 73 24.582 -2.386 0.843 1.00 1.34 O ATOM 1079 CB GLU A 73 24.403 0.849 -0.209 1.00 70.42 C ATOM 1080 CG GLU A 73 24.452 2.272 0.368 1.00 31.32 C ATOM 1081 CD GLU A 73 25.800 2.965 0.454 1.00 75.23 C ATOM 1082 OE1 GLU A 73 26.685 2.509 1.170 1.00 24.14 O ATOM 1083 OE2 GLU A 73 25.964 4.031 -0.165 1.00 11.31 O ATOM 0 H GLU A 73 26.698 0.970 -0.791 1.00 63.05 H new ATOM 0 HA GLU A 73 25.461 -0.104 1.434 1.00 10.12 H new ATOM 0 HB2 GLU A 73 24.559 0.916 -1.286 1.00 70.42 H new ATOM 0 HB3 GLU A 73 23.397 0.458 -0.057 1.00 70.42 H new ATOM 0 HG2 GLU A 73 23.793 2.898 -0.234 1.00 31.32 H new ATOM 0 HG3 GLU A 73 24.030 2.239 1.372 1.00 31.32 H new ATOM 1090 N LEU A 74 24.943 -1.824 -1.305 1.00 0.53 N ATOM 1091 CA LEU A 74 24.515 -3.102 -1.881 1.00 11.24 C ATOM 1092 C LEU A 74 25.401 -4.239 -1.403 1.00 0.54 C ATOM 1093 O LEU A 74 24.936 -5.345 -1.196 1.00 10.11 O ATOM 1094 CB LEU A 74 24.541 -3.075 -3.431 1.00 42.42 C ATOM 1095 CG LEU A 74 23.621 -2.076 -4.168 1.00 50.41 C ATOM 1096 CD1 LEU A 74 22.174 -2.225 -3.760 1.00 31.32 C ATOM 1097 CD2 LEU A 74 24.083 -0.655 -3.991 1.00 62.21 C ATOM 0 H LEU A 74 25.259 -1.149 -2.001 1.00 0.53 H new ATOM 0 HA LEU A 74 23.490 -3.264 -1.546 1.00 11.24 H new ATOM 0 HB2 LEU A 74 25.566 -2.872 -3.742 1.00 42.42 H new ATOM 0 HB3 LEU A 74 24.293 -4.076 -3.784 1.00 42.42 H new ATOM 0 HG LEU A 74 23.689 -2.320 -5.228 1.00 50.41 H new ATOM 0 HD11 LEU A 74 21.566 -1.502 -4.304 1.00 31.32 H new ATOM 0 HD12 LEU A 74 21.833 -3.234 -3.992 1.00 31.32 H new ATOM 0 HD13 LEU A 74 22.078 -2.047 -2.689 1.00 31.32 H new ATOM 0 HD21 LEU A 74 23.409 0.016 -4.524 1.00 62.21 H new ATOM 0 HD22 LEU A 74 24.083 -0.402 -2.931 1.00 62.21 H new ATOM 0 HD23 LEU A 74 25.092 -0.548 -4.389 1.00 62.21 H new ATOM 1109 N TYR A 75 26.672 -3.941 -1.237 1.00 22.25 N ATOM 1110 CA TYR A 75 27.671 -4.913 -0.812 1.00 34.23 C ATOM 1111 C TYR A 75 27.632 -5.201 0.669 1.00 51.14 C ATOM 1112 O TYR A 75 27.876 -6.331 1.084 1.00 62.10 O ATOM 1113 CB TYR A 75 29.064 -4.429 -1.186 1.00 74.34 C ATOM 1114 CG TYR A 75 29.420 -4.668 -2.612 1.00 24.30 C ATOM 1115 CD1 TYR A 75 29.293 -5.931 -3.154 1.00 60.10 C ATOM 1116 CD2 TYR A 75 29.894 -3.649 -3.414 1.00 64.35 C ATOM 1117 CE1 TYR A 75 29.626 -6.179 -4.458 1.00 72.32 C ATOM 1118 CE2 TYR A 75 30.239 -3.882 -4.723 1.00 71.41 C ATOM 1119 CZ TYR A 75 30.104 -5.145 -5.243 1.00 53.33 C ATOM 1120 OH TYR A 75 30.454 -5.380 -6.546 1.00 63.24 O ATOM 0 H TYR A 75 27.051 -3.007 -1.394 1.00 22.25 H new ATOM 0 HA TYR A 75 27.432 -5.841 -1.331 1.00 34.23 H new ATOM 0 HB2 TYR A 75 29.136 -3.362 -0.977 1.00 74.34 H new ATOM 0 HB3 TYR A 75 29.795 -4.928 -0.550 1.00 74.34 H new ATOM 0 HD1 TYR A 75 28.924 -6.738 -2.538 1.00 60.10 H new ATOM 0 HD2 TYR A 75 29.995 -2.654 -3.006 1.00 64.35 H new ATOM 0 HE1 TYR A 75 29.517 -7.171 -4.870 1.00 72.32 H new ATOM 0 HE2 TYR A 75 30.614 -3.077 -5.338 1.00 71.41 H new ATOM 0 HH TYR A 75 31.264 -5.931 -6.573 1.00 63.24 H new ATOM 1130 N ALA A 76 27.346 -4.187 1.457 1.00 42.44 N ATOM 1131 CA ALA A 76 27.359 -4.320 2.896 1.00 63.34 C ATOM 1132 C ALA A 76 26.274 -5.269 3.371 1.00 2.54 C ATOM 1133 O ALA A 76 26.505 -6.120 4.227 1.00 5.25 O ATOM 1134 CB ALA A 76 27.237 -2.963 3.574 1.00 21.41 C ATOM 0 H ALA A 76 27.100 -3.256 1.121 1.00 42.44 H new ATOM 0 HA ALA A 76 28.320 -4.749 3.180 1.00 63.34 H new ATOM 0 HB1 ALA A 76 27.250 -3.094 4.656 1.00 21.41 H new ATOM 0 HB2 ALA A 76 28.073 -2.331 3.276 1.00 21.41 H new ATOM 0 HB3 ALA A 76 26.301 -2.491 3.277 1.00 21.41 H new ATOM 1140 N ALA A 77 25.103 -5.128 2.810 1.00 64.32 N ATOM 1141 CA ALA A 77 24.019 -6.004 3.140 1.00 74.43 C ATOM 1142 C ALA A 77 23.251 -6.378 1.886 1.00 3.40 C ATOM 1143 O ALA A 77 22.218 -5.782 1.577 1.00 72.24 O ATOM 1144 CB ALA A 77 23.104 -5.390 4.194 1.00 10.33 C ATOM 0 H ALA A 77 24.878 -4.411 2.120 1.00 64.32 H new ATOM 0 HA ALA A 77 24.433 -6.914 3.574 1.00 74.43 H new ATOM 0 HB1 ALA A 77 22.293 -6.082 4.420 1.00 10.33 H new ATOM 0 HB2 ALA A 77 23.675 -5.192 5.101 1.00 10.33 H new ATOM 0 HB3 ALA A 77 22.689 -4.456 3.816 1.00 10.33 H new ATOM 1150 N PRO A 78 23.767 -7.334 1.101 1.00 34.12 N ATOM 1151 CA PRO A 78 23.121 -7.759 -0.117 1.00 31.01 C ATOM 1152 C PRO A 78 21.972 -8.688 0.177 1.00 3.22 C ATOM 1153 O PRO A 78 22.145 -9.907 0.254 1.00 72.42 O ATOM 1154 CB PRO A 78 24.221 -8.497 -0.900 1.00 24.22 C ATOM 1155 CG PRO A 78 25.462 -8.376 -0.068 1.00 3.14 C ATOM 1156 CD PRO A 78 25.015 -8.054 1.326 1.00 73.24 C ATOM 0 HA PRO A 78 22.702 -6.920 -0.672 1.00 31.01 H new ATOM 0 HB2 PRO A 78 23.955 -9.542 -1.057 1.00 24.22 H new ATOM 0 HB3 PRO A 78 24.365 -8.053 -1.885 1.00 24.22 H new ATOM 0 HG2 PRO A 78 26.033 -9.304 -0.087 1.00 3.14 H new ATOM 0 HG3 PRO A 78 26.114 -7.593 -0.456 1.00 3.14 H new ATOM 0 HD2 PRO A 78 24.862 -8.954 1.921 1.00 73.24 H new ATOM 0 HD3 PRO A 78 25.746 -7.443 1.855 1.00 73.24 H new ATOM 1164 N THR A 79 20.830 -8.097 0.396 1.00 43.51 N ATOM 1165 CA THR A 79 19.594 -8.774 0.683 1.00 70.03 C ATOM 1166 C THR A 79 18.503 -7.850 0.202 1.00 51.24 C ATOM 1167 O THR A 79 18.660 -6.632 0.303 1.00 74.44 O ATOM 1168 CB THR A 79 19.395 -8.980 2.225 1.00 11.41 C ATOM 1169 OG1 THR A 79 19.521 -7.721 2.901 1.00 32.21 O ATOM 1170 CG2 THR A 79 20.389 -9.963 2.824 1.00 54.32 C ATOM 0 H THR A 79 20.730 -7.082 0.379 1.00 43.51 H new ATOM 0 HA THR A 79 19.584 -9.753 0.205 1.00 70.03 H new ATOM 0 HB THR A 79 18.397 -9.397 2.361 1.00 11.41 H new ATOM 0 HG1 THR A 79 19.394 -7.853 3.864 1.00 32.21 H new ATOM 0 HG21 THR A 79 20.202 -10.064 3.893 1.00 54.32 H new ATOM 0 HG22 THR A 79 20.276 -10.934 2.342 1.00 54.32 H new ATOM 0 HG23 THR A 79 21.403 -9.596 2.667 1.00 54.32 H new ATOM 1178 N LEU A 80 17.407 -8.371 -0.305 1.00 32.12 N ATOM 1179 CA LEU A 80 16.320 -7.487 -0.719 1.00 74.41 C ATOM 1180 C LEU A 80 15.670 -6.901 0.478 1.00 0.03 C ATOM 1181 O LEU A 80 15.014 -5.879 0.408 1.00 1.01 O ATOM 1182 CB LEU A 80 15.311 -8.180 -1.590 1.00 2.42 C ATOM 1183 CG LEU A 80 15.844 -8.598 -2.926 1.00 71.45 C ATOM 1184 CD1 LEU A 80 14.768 -9.272 -3.712 1.00 12.54 C ATOM 1185 CD2 LEU A 80 16.341 -7.405 -3.721 1.00 0.20 C ATOM 0 H LEU A 80 17.239 -9.368 -0.441 1.00 32.12 H new ATOM 0 HA LEU A 80 16.754 -6.691 -1.325 1.00 74.41 H new ATOM 0 HB2 LEU A 80 14.939 -9.061 -1.067 1.00 2.42 H new ATOM 0 HB3 LEU A 80 14.460 -7.516 -1.741 1.00 2.42 H new ATOM 0 HG LEU A 80 16.676 -9.280 -2.750 1.00 71.45 H new ATOM 0 HD11 LEU A 80 15.161 -9.574 -4.683 1.00 12.54 H new ATOM 0 HD12 LEU A 80 14.420 -10.152 -3.172 1.00 12.54 H new ATOM 0 HD13 LEU A 80 13.936 -8.582 -3.856 1.00 12.54 H new ATOM 0 HD21 LEU A 80 16.721 -7.743 -4.685 1.00 0.20 H new ATOM 0 HD22 LEU A 80 15.520 -6.706 -3.880 1.00 0.20 H new ATOM 0 HD23 LEU A 80 17.140 -6.908 -3.170 1.00 0.20 H new ATOM 1197 N ALA A 81 15.856 -7.575 1.565 1.00 52.41 N ATOM 1198 CA ALA A 81 15.413 -7.105 2.868 1.00 34.32 C ATOM 1199 C ALA A 81 16.033 -5.721 3.177 1.00 44.52 C ATOM 1200 O ALA A 81 15.313 -4.743 3.412 1.00 71.32 O ATOM 1201 CB ALA A 81 15.786 -8.115 3.947 1.00 54.01 C ATOM 0 H ALA A 81 16.324 -8.481 1.590 1.00 52.41 H new ATOM 0 HA ALA A 81 14.328 -7.000 2.855 1.00 34.32 H new ATOM 0 HB1 ALA A 81 15.449 -7.752 4.918 1.00 54.01 H new ATOM 0 HB2 ALA A 81 15.308 -9.071 3.732 1.00 54.01 H new ATOM 0 HB3 ALA A 81 16.868 -8.246 3.964 1.00 54.01 H new ATOM 1207 N ALA A 82 17.363 -5.634 3.115 1.00 25.12 N ATOM 1208 CA ALA A 82 18.059 -4.380 3.392 1.00 74.32 C ATOM 1209 C ALA A 82 17.941 -3.403 2.230 1.00 23.24 C ATOM 1210 O ALA A 82 17.830 -2.191 2.439 1.00 35.35 O ATOM 1211 CB ALA A 82 19.517 -4.628 3.730 1.00 24.54 C ATOM 0 H ALA A 82 17.976 -6.414 2.876 1.00 25.12 H new ATOM 0 HA ALA A 82 17.576 -3.929 4.258 1.00 74.32 H new ATOM 0 HB1 ALA A 82 20.011 -3.677 3.932 1.00 24.54 H new ATOM 0 HB2 ALA A 82 19.583 -5.265 4.612 1.00 24.54 H new ATOM 0 HB3 ALA A 82 20.007 -5.120 2.890 1.00 24.54 H new ATOM 1217 N TRP A 83 17.941 -3.919 1.003 1.00 44.42 N ATOM 1218 CA TRP A 83 17.811 -3.059 -0.176 1.00 14.12 C ATOM 1219 C TRP A 83 16.461 -2.359 -0.180 1.00 71.01 C ATOM 1220 O TRP A 83 16.356 -1.219 -0.593 1.00 42.45 O ATOM 1221 CB TRP A 83 18.039 -3.820 -1.494 1.00 74.04 C ATOM 1222 CG TRP A 83 19.439 -4.372 -1.683 1.00 25.01 C ATOM 1223 CD1 TRP A 83 20.477 -4.352 -0.788 1.00 13.03 C ATOM 1224 CD2 TRP A 83 19.941 -5.026 -2.854 1.00 44.02 C ATOM 1225 NE1 TRP A 83 21.577 -4.970 -1.323 1.00 53.54 N ATOM 1226 CE2 TRP A 83 21.277 -5.390 -2.593 1.00 54.13 C ATOM 1227 CE3 TRP A 83 19.387 -5.342 -4.095 1.00 61.41 C ATOM 1228 CZ2 TRP A 83 22.064 -6.056 -3.531 1.00 74.21 C ATOM 1229 CZ3 TRP A 83 20.167 -6.000 -5.024 1.00 45.04 C ATOM 1230 CH2 TRP A 83 21.490 -6.351 -4.738 1.00 24.00 C ATOM 0 H TRP A 83 18.028 -4.914 0.798 1.00 44.42 H new ATOM 0 HA TRP A 83 18.598 -2.308 -0.110 1.00 14.12 H new ATOM 0 HB2 TRP A 83 17.329 -4.646 -1.546 1.00 74.04 H new ATOM 0 HB3 TRP A 83 17.813 -3.152 -2.325 1.00 74.04 H new ATOM 0 HD1 TRP A 83 20.434 -3.912 0.197 1.00 13.03 H new ATOM 0 HE1 TRP A 83 22.473 -5.097 -0.853 1.00 53.54 H new ATOM 0 HE3 TRP A 83 18.366 -5.076 -4.325 1.00 61.41 H new ATOM 0 HZ2 TRP A 83 23.086 -6.328 -3.314 1.00 74.21 H new ATOM 0 HZ3 TRP A 83 19.749 -6.248 -5.988 1.00 45.04 H new ATOM 0 HH2 TRP A 83 22.072 -6.867 -5.487 1.00 24.00 H new ATOM 1241 N ASN A 84 15.442 -3.043 0.334 1.00 53.14 N ATOM 1242 CA ASN A 84 14.098 -2.471 0.479 1.00 63.30 C ATOM 1243 C ASN A 84 14.160 -1.224 1.349 1.00 64.02 C ATOM 1244 O ASN A 84 13.552 -0.205 1.032 1.00 73.30 O ATOM 1245 CB ASN A 84 13.147 -3.504 1.108 1.00 0.20 C ATOM 1246 CG ASN A 84 11.747 -2.977 1.362 1.00 63.10 C ATOM 1247 OD1 ASN A 84 10.899 -3.019 0.494 1.00 72.24 O ATOM 1248 ND2 ASN A 84 11.483 -2.532 2.571 1.00 11.12 N ATOM 0 H ASN A 84 15.520 -4.006 0.662 1.00 53.14 H new ATOM 0 HA ASN A 84 13.720 -2.201 -0.507 1.00 63.30 H new ATOM 0 HB2 ASN A 84 13.084 -4.372 0.452 1.00 0.20 H new ATOM 0 HB3 ASN A 84 13.572 -3.847 2.051 1.00 0.20 H new ATOM 0 HD21 ASN A 84 10.543 -2.209 2.802 1.00 11.12 H new ATOM 0 HD22 ASN A 84 12.218 -2.510 3.278 1.00 11.12 H new ATOM 1255 N GLN A 85 14.941 -1.302 2.422 1.00 64.03 N ATOM 1256 CA GLN A 85 15.128 -0.180 3.322 1.00 72.20 C ATOM 1257 C GLN A 85 15.805 0.962 2.577 1.00 44.41 C ATOM 1258 O GLN A 85 15.354 2.105 2.647 1.00 52.10 O ATOM 1259 CB GLN A 85 15.966 -0.589 4.532 1.00 4.21 C ATOM 1260 CG GLN A 85 16.245 0.555 5.494 1.00 61.41 C ATOM 1261 CD GLN A 85 17.142 0.159 6.641 1.00 24.32 C ATOM 1262 OE1 GLN A 85 17.983 -0.715 6.515 1.00 41.33 O ATOM 1263 NE2 GLN A 85 16.982 0.811 7.761 1.00 71.12 N ATOM 0 H GLN A 85 15.457 -2.141 2.687 1.00 64.03 H new ATOM 0 HA GLN A 85 14.153 0.149 3.681 1.00 72.20 H new ATOM 0 HB2 GLN A 85 15.450 -1.386 5.068 1.00 4.21 H new ATOM 0 HB3 GLN A 85 16.914 -1.000 4.185 1.00 4.21 H new ATOM 0 HG2 GLN A 85 16.706 1.377 4.947 1.00 61.41 H new ATOM 0 HG3 GLN A 85 15.300 0.926 5.891 1.00 61.41 H new ATOM 0 HE21 GLN A 85 16.268 1.536 7.831 1.00 71.12 H new ATOM 0 HE22 GLN A 85 17.571 0.595 8.565 1.00 71.12 H new ATOM 1272 N LEU A 86 16.860 0.625 1.834 1.00 22.32 N ATOM 1273 CA LEU A 86 17.608 1.590 1.025 1.00 10.14 C ATOM 1274 C LEU A 86 16.704 2.275 0.008 1.00 3.33 C ATOM 1275 O LEU A 86 16.898 3.420 -0.342 1.00 4.24 O ATOM 1276 CB LEU A 86 18.737 0.888 0.270 1.00 23.25 C ATOM 1277 CG LEU A 86 19.839 0.268 1.120 1.00 62.21 C ATOM 1278 CD1 LEU A 86 20.787 -0.504 0.238 1.00 33.10 C ATOM 1279 CD2 LEU A 86 20.613 1.341 1.863 1.00 15.31 C ATOM 0 H LEU A 86 17.221 -0.327 1.776 1.00 22.32 H new ATOM 0 HA LEU A 86 18.017 2.337 1.706 1.00 10.14 H new ATOM 0 HB2 LEU A 86 18.299 0.103 -0.347 1.00 23.25 H new ATOM 0 HB3 LEU A 86 19.194 1.609 -0.408 1.00 23.25 H new ATOM 0 HG LEU A 86 19.377 -0.401 1.846 1.00 62.21 H new ATOM 0 HD11 LEU A 86 21.574 -0.946 0.849 1.00 33.10 H new ATOM 0 HD12 LEU A 86 20.242 -1.294 -0.279 1.00 33.10 H new ATOM 0 HD13 LEU A 86 21.232 0.169 -0.495 1.00 33.10 H new ATOM 0 HD21 LEU A 86 21.395 0.876 2.464 1.00 15.31 H new ATOM 0 HD22 LEU A 86 21.066 2.026 1.146 1.00 15.31 H new ATOM 0 HD23 LEU A 86 19.936 1.893 2.514 1.00 15.31 H new ATOM 1291 N MET A 87 15.745 1.540 -0.480 1.00 70.03 N ATOM 1292 CA MET A 87 14.835 2.032 -1.481 1.00 11.10 C ATOM 1293 C MET A 87 13.675 2.862 -0.916 1.00 53.23 C ATOM 1294 O MET A 87 13.426 3.960 -1.383 1.00 14.22 O ATOM 1295 CB MET A 87 14.329 0.887 -2.364 1.00 13.42 C ATOM 1296 CG MET A 87 15.435 0.230 -3.190 1.00 3.33 C ATOM 1297 SD MET A 87 14.873 -1.185 -4.154 1.00 42.04 S ATOM 1298 CE MET A 87 13.655 -0.407 -5.205 1.00 62.53 C ATOM 0 H MET A 87 15.570 0.577 -0.194 1.00 70.03 H new ATOM 0 HA MET A 87 15.409 2.725 -2.097 1.00 11.10 H new ATOM 0 HB2 MET A 87 13.857 0.132 -1.735 1.00 13.42 H new ATOM 0 HB3 MET A 87 13.560 1.268 -3.036 1.00 13.42 H new ATOM 0 HG2 MET A 87 15.862 0.972 -3.865 1.00 3.33 H new ATOM 0 HG3 MET A 87 16.234 -0.091 -2.522 1.00 3.33 H new ATOM 0 HE1 MET A 87 13.342 -1.107 -5.979 1.00 62.53 H new ATOM 0 HE2 MET A 87 12.791 -0.117 -4.607 1.00 62.53 H new ATOM 0 HE3 MET A 87 14.088 0.478 -5.670 1.00 62.53 H new ATOM 1308 N LEU A 88 12.972 2.362 0.081 1.00 73.31 N ATOM 1309 CA LEU A 88 11.777 3.063 0.521 1.00 72.14 C ATOM 1310 C LEU A 88 11.882 4.033 1.684 1.00 60.45 C ATOM 1311 O LEU A 88 11.000 4.892 1.864 1.00 42.44 O ATOM 1312 CB LEU A 88 10.564 2.189 0.569 1.00 55.31 C ATOM 1313 CG LEU A 88 10.657 0.886 1.284 1.00 23.24 C ATOM 1314 CD1 LEU A 88 10.747 1.092 2.778 1.00 12.41 C ATOM 1315 CD2 LEU A 88 9.472 0.079 0.889 1.00 2.55 C ATOM 0 H LEU A 88 13.194 1.505 0.588 1.00 73.31 H new ATOM 0 HA LEU A 88 11.644 3.770 -0.298 1.00 72.14 H new ATOM 0 HB2 LEU A 88 9.759 2.763 1.029 1.00 55.31 H new ATOM 0 HB3 LEU A 88 10.262 1.983 -0.458 1.00 55.31 H new ATOM 0 HG LEU A 88 11.567 0.353 1.007 1.00 23.24 H new ATOM 0 HD11 LEU A 88 10.814 0.124 3.275 1.00 12.41 H new ATOM 0 HD12 LEU A 88 11.633 1.682 3.011 1.00 12.41 H new ATOM 0 HD13 LEU A 88 9.859 1.619 3.127 1.00 12.41 H new ATOM 0 HD21 LEU A 88 9.504 -0.886 1.394 1.00 2.55 H new ATOM 0 HD22 LEU A 88 8.561 0.607 1.173 1.00 2.55 H new ATOM 0 HD23 LEU A 88 9.480 -0.076 -0.190 1.00 2.55 H new ATOM 1327 N SER A 89 12.911 3.925 2.470 1.00 34.25 N ATOM 1328 CA SER A 89 13.093 4.891 3.556 1.00 53.44 C ATOM 1329 C SER A 89 13.531 6.168 2.971 1.00 42.52 C ATOM 1330 O SER A 89 12.936 7.205 3.286 1.00 51.01 O ATOM 1331 CB SER A 89 14.178 4.456 4.500 1.00 34.42 C ATOM 1332 OG SER A 89 14.026 3.084 4.849 1.00 3.15 O ATOM 0 H SER A 89 13.630 3.205 2.399 1.00 34.25 H new ATOM 0 HA SER A 89 12.149 4.976 4.094 1.00 53.44 H new ATOM 0 HB2 SER A 89 15.153 4.612 4.037 1.00 34.42 H new ATOM 0 HB3 SER A 89 14.150 5.070 5.400 1.00 34.42 H new ATOM 0 HG SER A 89 14.461 2.524 4.172 1.00 3.15 H new ATOM 1338 N ARG A 90 14.442 6.014 1.981 1.00 12.12 N ATOM 1339 CA ARG A 90 15.245 7.013 1.348 1.00 42.32 C ATOM 1340 C ARG A 90 14.613 8.381 1.317 1.00 33.15 C ATOM 1341 O ARG A 90 13.968 8.791 0.339 1.00 1.02 O ATOM 1342 CB ARG A 90 15.609 6.557 -0.047 1.00 53.23 C ATOM 1343 CG ARG A 90 16.899 7.130 -0.539 1.00 45.11 C ATOM 1344 CD ARG A 90 18.106 6.229 -0.216 1.00 21.34 C ATOM 1345 NE ARG A 90 18.340 5.975 1.209 1.00 52.00 N ATOM 1346 CZ ARG A 90 19.275 5.160 1.697 1.00 72.44 C ATOM 1347 NH1 ARG A 90 20.291 4.753 0.924 1.00 11.34 N ATOM 1348 NH2 ARG A 90 19.244 4.819 2.968 1.00 64.12 N ATOM 0 H ARG A 90 14.628 5.090 1.590 1.00 12.12 H new ATOM 0 HA ARG A 90 16.143 7.126 1.955 1.00 42.32 H new ATOM 0 HB2 ARG A 90 15.674 5.469 -0.061 1.00 53.23 H new ATOM 0 HB3 ARG A 90 14.810 6.837 -0.733 1.00 53.23 H new ATOM 0 HG2 ARG A 90 16.839 7.279 -1.617 1.00 45.11 H new ATOM 0 HG3 ARG A 90 17.052 8.111 -0.090 1.00 45.11 H new ATOM 0 HD2 ARG A 90 17.968 5.272 -0.720 1.00 21.34 H new ATOM 0 HD3 ARG A 90 19.001 6.686 -0.638 1.00 21.34 H new ATOM 0 HE ARG A 90 17.741 6.459 1.878 1.00 52.00 H new ATOM 0 HH11 ARG A 90 20.352 5.067 -0.045 1.00 11.34 H new ATOM 0 HH12 ARG A 90 21.003 4.129 1.304 1.00 11.34 H new ATOM 0 HH21 ARG A 90 18.507 5.178 3.575 1.00 64.12 H new ATOM 0 HH22 ARG A 90 19.957 4.196 3.346 1.00 64.12 H new ATOM 1362 N SER A 91 14.691 9.021 2.424 1.00 63.10 N ATOM 1363 CA SER A 91 14.226 10.377 2.560 1.00 43.34 C ATOM 1364 C SER A 91 15.089 11.146 3.564 1.00 0.51 C ATOM 1365 O SER A 91 15.730 12.135 3.166 1.00 41.23 O ATOM 1366 CB SER A 91 12.706 10.460 2.869 1.00 64.24 C ATOM 1367 OG SER A 91 11.933 9.815 1.856 1.00 44.33 O ATOM 0 H SER A 91 15.082 8.626 3.279 1.00 63.10 H new ATOM 0 HA SER A 91 14.343 10.868 1.594 1.00 43.34 H new ATOM 0 HB2 SER A 91 12.503 9.996 3.834 1.00 64.24 H new ATOM 0 HB3 SER A 91 12.406 11.505 2.948 1.00 64.24 H new ATOM 0 HG SER A 91 11.238 9.266 2.275 1.00 44.33 H new ATOM 1373 N PRO A 92 15.147 10.735 4.881 1.00 74.12 N ATOM 1374 CA PRO A 92 16.076 11.367 5.828 1.00 72.43 C ATOM 1375 C PRO A 92 17.526 10.978 5.511 1.00 32.30 C ATOM 1376 O PRO A 92 18.472 11.648 5.924 1.00 50.40 O ATOM 1377 CB PRO A 92 15.647 10.811 7.196 1.00 72.13 C ATOM 1378 CG PRO A 92 14.957 9.521 6.903 1.00 21.54 C ATOM 1379 CD PRO A 92 14.309 9.679 5.557 1.00 12.12 C ATOM 0 HA PRO A 92 16.041 12.456 5.788 1.00 72.43 H new ATOM 0 HB2 PRO A 92 16.509 10.656 7.845 1.00 72.13 H new ATOM 0 HB3 PRO A 92 14.981 11.504 7.710 1.00 72.13 H new ATOM 0 HG2 PRO A 92 15.667 8.694 6.897 1.00 21.54 H new ATOM 0 HG3 PRO A 92 14.213 9.297 7.668 1.00 21.54 H new ATOM 0 HD2 PRO A 92 14.315 8.744 4.997 1.00 12.12 H new ATOM 0 HD3 PRO A 92 13.268 9.990 5.647 1.00 12.12 H new ATOM 1387 N GLU A 93 17.658 9.895 4.788 1.00 1.33 N ATOM 1388 CA GLU A 93 18.906 9.368 4.334 1.00 4.14 C ATOM 1389 C GLU A 93 18.896 9.270 2.813 1.00 32.14 C ATOM 1390 O GLU A 93 19.607 10.053 2.152 1.00 55.10 O ATOM 1391 CB GLU A 93 19.238 8.017 5.028 1.00 35.35 C ATOM 1392 CG GLU A 93 18.035 7.245 5.629 1.00 74.14 C ATOM 1393 CD GLU A 93 16.983 6.810 4.625 1.00 53.52 C ATOM 1394 OE1 GLU A 93 16.023 7.569 4.379 1.00 72.14 O ATOM 1395 OE2 GLU A 93 17.096 5.687 4.099 1.00 60.44 O ATOM 1396 OXT GLU A 93 18.086 8.517 2.270 1.00 37.69 O ATOM 0 H GLU A 93 16.858 9.336 4.490 1.00 1.33 H new ATOM 0 HA GLU A 93 19.710 10.048 4.616 1.00 4.14 H new ATOM 0 HB2 GLU A 93 19.732 7.371 4.302 1.00 35.35 H new ATOM 0 HB3 GLU A 93 19.956 8.208 5.826 1.00 35.35 H new ATOM 0 HG2 GLU A 93 18.411 6.361 6.144 1.00 74.14 H new ATOM 0 HG3 GLU A 93 17.559 7.874 6.381 1.00 74.14 H new TER 1403 GLU A 93