USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 690 hydrogens (25 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 67 TYR OH : rot 160:sc= -1.6! USER MOD Set 1.2: A 87 MET CE :methyl 163:sc= -0.0162 (180deg=-0.687) USER MOD Single : A 15 ASN : amide:sc= 1.25 K(o=1.3,f=-0.37) USER MOD Single : A 17 HIS : no HE2:sc= -0.38! C(o=-0.38!,f=-6!) USER MOD Single : A 21 TYR OH : rot -85:sc= -0.306 USER MOD Single : A 22 GLN : amide:sc= 0.913 K(o=0.91,f=-0.3) USER MOD Single : A 23 GLN : amide:sc= -0.797 X(o=-0.8,f=-0.35) USER MOD Single : A 30 GLN : amide:sc= 0.862 K(o=0.86,f=-5.3!) USER MOD Single : A 33 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.033) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.0217 F(o=-0.73,f=-0.022) USER MOD Single : A 40 HIS : no HE2:sc= 0.13! C(o=0.13!,f=-5.9!) USER MOD Single : A 43 SER OG : rot 12:sc= 0.308 USER MOD Single : A 44 ASN : amide:sc= -0.938 K(o=-0.94,f=-7.9!) USER MOD Single : A 47 GLN : amide:sc= -0.0539 X(o=-0.054,f=-0.08) USER MOD Single : A 56 MET CE :methyl -157:sc= -0.493 (180deg=-1.52!) USER MOD Single : A 60 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.08) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 0.342 (180deg=0.3) USER MOD Single : A 65 ASN : amide:sc= 0.726 K(o=0.73,f=-0.72) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0469 USER MOD Single : A 75 TYR OH : rot 118:sc= 0.186 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0439 USER MOD Single : A 84 ASN : amide:sc= -0.559 K(o=-0.56,f=-2.6!) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 89 SER OG : rot 83:sc= 0 USER MOD Single : A 91 SER OG : rot 107:sc= 2.32 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 3.333 -1.509 -5.026 1.00 4.00 N ATOM 2 CA ASP A 14 3.202 -2.721 -5.855 1.00 0.02 C ATOM 3 C ASP A 14 1.931 -3.487 -5.475 1.00 64.43 C ATOM 4 O ASP A 14 0.897 -3.294 -6.107 1.00 33.41 O ATOM 5 CB ASP A 14 4.470 -3.585 -5.719 1.00 62.14 C ATOM 6 CG ASP A 14 4.838 -3.758 -4.273 1.00 33.30 C ATOM 7 OD1 ASP A 14 5.258 -2.769 -3.673 1.00 15.12 O ATOM 8 OD2 ASP A 14 4.557 -4.821 -3.718 1.00 12.54 O ATOM 0 HA ASP A 14 3.106 -2.442 -6.904 1.00 0.02 H new ATOM 0 HB2 ASP A 14 4.303 -4.560 -6.177 1.00 62.14 H new ATOM 0 HB3 ASP A 14 5.295 -3.117 -6.257 1.00 62.14 H new ATOM 13 N ASN A 15 1.992 -4.298 -4.439 1.00 31.41 N ATOM 14 CA ASN A 15 0.843 -5.019 -3.933 1.00 53.53 C ATOM 15 C ASN A 15 -0.098 -4.046 -3.247 1.00 11.35 C ATOM 16 O ASN A 15 0.330 -2.982 -2.789 1.00 63.21 O ATOM 17 CB ASN A 15 1.284 -6.121 -2.951 1.00 13.04 C ATOM 18 CG ASN A 15 2.001 -7.292 -3.620 1.00 51.03 C ATOM 19 OD1 ASN A 15 1.376 -8.267 -4.017 1.00 62.22 O ATOM 20 ND2 ASN A 15 3.302 -7.203 -3.770 1.00 62.13 N ATOM 0 H ASN A 15 2.851 -4.477 -3.919 1.00 31.41 H new ATOM 0 HA ASN A 15 0.326 -5.496 -4.766 1.00 53.53 H new ATOM 0 HB2 ASN A 15 1.943 -5.684 -2.201 1.00 13.04 H new ATOM 0 HB3 ASN A 15 0.407 -6.497 -2.424 1.00 13.04 H new ATOM 0 HD21 ASN A 15 3.816 -7.957 -4.226 1.00 62.13 H new ATOM 0 HD22 ASN A 15 3.799 -6.380 -3.430 1.00 62.13 H new ATOM 27 N ARG A 16 -1.368 -4.374 -3.211 1.00 53.35 N ATOM 28 CA ARG A 16 -2.354 -3.501 -2.603 1.00 25.42 C ATOM 29 C ARG A 16 -2.835 -4.055 -1.263 1.00 1.01 C ATOM 30 O ARG A 16 -2.175 -3.849 -0.255 1.00 22.22 O ATOM 31 CB ARG A 16 -3.490 -3.231 -3.556 1.00 22.31 C ATOM 32 CG ARG A 16 -3.110 -2.404 -4.772 1.00 22.14 C ATOM 33 CD ARG A 16 -4.273 -2.311 -5.734 1.00 0.15 C ATOM 34 NE ARG A 16 -5.492 -1.904 -5.044 1.00 42.34 N ATOM 35 CZ ARG A 16 -6.622 -1.514 -5.609 1.00 52.34 C ATOM 36 NH1 ARG A 16 -6.719 -1.361 -6.926 1.00 62.42 N ATOM 37 NH2 ARG A 16 -7.681 -1.311 -4.856 1.00 42.03 N ATOM 0 H ARG A 16 -1.747 -5.240 -3.595 1.00 53.35 H new ATOM 0 HA ARG A 16 -1.880 -2.543 -2.390 1.00 25.42 H new ATOM 0 HB2 ARG A 16 -3.898 -4.184 -3.894 1.00 22.31 H new ATOM 0 HB3 ARG A 16 -4.285 -2.716 -3.017 1.00 22.31 H new ATOM 0 HG2 ARG A 16 -2.808 -1.404 -4.459 1.00 22.14 H new ATOM 0 HG3 ARG A 16 -2.252 -2.854 -5.272 1.00 22.14 H new ATOM 0 HD2 ARG A 16 -4.041 -1.595 -6.522 1.00 0.15 H new ATOM 0 HD3 ARG A 16 -4.429 -3.276 -6.216 1.00 0.15 H new ATOM 0 HE ARG A 16 -5.471 -1.922 -4.024 1.00 42.34 H new ATOM 0 HH11 ARG A 16 -5.912 -1.545 -7.522 1.00 62.42 H new ATOM 0 HH12 ARG A 16 -7.601 -1.059 -7.341 1.00 62.42 H new ATOM 0 HH21 ARG A 16 -7.625 -1.455 -3.848 1.00 42.03 H new ATOM 0 HH22 ARG A 16 -8.558 -1.010 -5.280 1.00 42.03 H new ATOM 51 N HIS A 17 -3.937 -4.811 -1.243 1.00 11.33 N ATOM 52 CA HIS A 17 -4.362 -5.483 0.009 1.00 24.10 C ATOM 53 C HIS A 17 -3.383 -6.579 0.310 1.00 14.01 C ATOM 54 O HIS A 17 -3.089 -6.898 1.455 1.00 75.24 O ATOM 55 CB HIS A 17 -5.806 -6.017 -0.070 1.00 54.32 C ATOM 56 CG HIS A 17 -6.881 -4.990 0.197 1.00 22.23 C ATOM 57 ND1 HIS A 17 -7.472 -4.201 -0.763 1.00 53.22 N ATOM 58 CD2 HIS A 17 -7.493 -4.665 1.363 1.00 2.43 C ATOM 59 CE1 HIS A 17 -8.397 -3.448 -0.177 1.00 0.34 C ATOM 60 NE2 HIS A 17 -8.455 -3.687 1.118 1.00 75.23 N ATOM 0 H HIS A 17 -4.541 -4.976 -2.048 1.00 11.33 H new ATOM 0 HA HIS A 17 -4.365 -4.755 0.820 1.00 24.10 H new ATOM 0 HB2 HIS A 17 -5.967 -6.441 -1.061 1.00 54.32 H new ATOM 0 HB3 HIS A 17 -5.916 -6.831 0.646 1.00 54.32 H new ATOM 0 HD1 HIS A 17 -7.240 -4.195 -1.756 1.00 53.22 H new ATOM 0 HD2 HIS A 17 -7.270 -5.096 2.328 1.00 2.43 H new ATOM 0 HE1 HIS A 17 -9.020 -2.733 -0.694 1.00 0.34 H new ATOM 68 N ALA A 18 -2.810 -7.073 -0.741 1.00 3.20 N ATOM 69 CA ALA A 18 -1.764 -8.049 -0.696 1.00 34.34 C ATOM 70 C ALA A 18 -0.496 -7.516 0.022 1.00 41.42 C ATOM 71 O ALA A 18 0.390 -8.258 0.318 1.00 52.22 O ATOM 72 CB ALA A 18 -1.492 -8.605 -2.067 1.00 54.35 C ATOM 0 H ALA A 18 -3.066 -6.799 -1.690 1.00 3.20 H new ATOM 0 HA ALA A 18 -2.104 -8.884 -0.084 1.00 34.34 H new ATOM 0 HB1 ALA A 18 -0.694 -9.345 -2.008 1.00 54.35 H new ATOM 0 HB2 ALA A 18 -2.395 -9.076 -2.454 1.00 54.35 H new ATOM 0 HB3 ALA A 18 -1.190 -7.797 -2.734 1.00 54.35 H new ATOM 78 N ALA A 19 -0.385 -6.204 0.226 1.00 60.31 N ATOM 79 CA ALA A 19 0.750 -5.666 0.996 1.00 2.03 C ATOM 80 C ALA A 19 0.665 -6.104 2.470 1.00 40.32 C ATOM 81 O ALA A 19 1.679 -6.178 3.162 1.00 74.43 O ATOM 82 CB ALA A 19 0.829 -4.155 0.891 1.00 43.03 C ATOM 0 H ALA A 19 -1.044 -5.506 -0.118 1.00 60.31 H new ATOM 0 HA ALA A 19 1.663 -6.075 0.565 1.00 2.03 H new ATOM 0 HB1 ALA A 19 1.678 -3.794 1.471 1.00 43.03 H new ATOM 0 HB2 ALA A 19 0.955 -3.869 -0.153 1.00 43.03 H new ATOM 0 HB3 ALA A 19 -0.089 -3.715 1.279 1.00 43.03 H new ATOM 88 N ASP A 20 -0.548 -6.430 2.925 1.00 40.24 N ATOM 89 CA ASP A 20 -0.783 -6.933 4.302 1.00 14.41 C ATOM 90 C ASP A 20 -0.106 -8.301 4.446 1.00 40.14 C ATOM 91 O ASP A 20 0.429 -8.668 5.501 1.00 14.11 O ATOM 92 CB ASP A 20 -2.300 -7.029 4.557 1.00 23.41 C ATOM 93 CG ASP A 20 -2.677 -7.529 5.938 1.00 42.13 C ATOM 94 OD1 ASP A 20 -2.143 -7.011 6.931 1.00 43.33 O ATOM 95 OD2 ASP A 20 -3.569 -8.408 6.027 1.00 33.43 O ATOM 0 H ASP A 20 -1.396 -6.357 2.362 1.00 40.24 H new ATOM 0 HA ASP A 20 -0.358 -6.253 5.040 1.00 14.41 H new ATOM 0 HB2 ASP A 20 -2.743 -6.044 4.408 1.00 23.41 H new ATOM 0 HB3 ASP A 20 -2.739 -7.693 3.812 1.00 23.41 H new ATOM 100 N TYR A 21 -0.048 -8.995 3.314 1.00 31.33 N ATOM 101 CA TYR A 21 0.626 -10.300 3.166 1.00 23.34 C ATOM 102 C TYR A 21 2.091 -10.239 3.607 1.00 45.03 C ATOM 103 O TYR A 21 2.635 -11.228 4.104 1.00 64.12 O ATOM 104 CB TYR A 21 0.521 -10.747 1.698 1.00 3.11 C ATOM 105 CG TYR A 21 1.465 -11.825 1.230 1.00 13.34 C ATOM 106 CD1 TYR A 21 2.750 -11.507 0.777 1.00 23.10 C ATOM 107 CD2 TYR A 21 1.077 -13.138 1.196 1.00 75.12 C ATOM 108 CE1 TYR A 21 3.592 -12.464 0.325 1.00 32.44 C ATOM 109 CE2 TYR A 21 1.934 -14.106 0.741 1.00 13.01 C ATOM 110 CZ TYR A 21 3.187 -13.765 0.309 1.00 71.43 C ATOM 111 OH TYR A 21 4.045 -14.727 -0.147 1.00 12.24 O ATOM 0 H TYR A 21 -0.475 -8.666 2.448 1.00 31.33 H new ATOM 0 HA TYR A 21 0.132 -11.024 3.814 1.00 23.34 H new ATOM 0 HB2 TYR A 21 -0.498 -11.093 1.524 1.00 3.11 H new ATOM 0 HB3 TYR A 21 0.672 -9.871 1.068 1.00 3.11 H new ATOM 0 HD1 TYR A 21 3.076 -10.477 0.788 1.00 23.10 H new ATOM 0 HD2 TYR A 21 0.088 -13.413 1.530 1.00 75.12 H new ATOM 0 HE1 TYR A 21 4.580 -12.199 -0.021 1.00 32.44 H new ATOM 0 HE2 TYR A 21 1.620 -15.139 0.723 1.00 13.01 H new ATOM 0 HH TYR A 21 3.982 -14.786 -1.123 1.00 12.24 H new ATOM 121 N GLN A 22 2.725 -9.086 3.425 1.00 1.15 N ATOM 122 CA GLN A 22 4.120 -8.902 3.810 1.00 52.23 C ATOM 123 C GLN A 22 4.299 -9.154 5.303 1.00 20.20 C ATOM 124 O GLN A 22 5.226 -9.855 5.722 1.00 4.05 O ATOM 125 CB GLN A 22 4.609 -7.501 3.413 1.00 51.01 C ATOM 126 CG GLN A 22 5.996 -7.132 3.931 1.00 34.31 C ATOM 127 CD GLN A 22 7.091 -8.106 3.519 1.00 21.34 C ATOM 128 OE1 GLN A 22 7.035 -8.738 2.462 1.00 15.35 O ATOM 129 NE2 GLN A 22 8.066 -8.257 4.366 1.00 25.41 N ATOM 0 H GLN A 22 2.292 -8.260 3.011 1.00 1.15 H new ATOM 0 HA GLN A 22 4.730 -9.629 3.275 1.00 52.23 H new ATOM 0 HB2 GLN A 22 4.612 -7.428 2.325 1.00 51.01 H new ATOM 0 HB3 GLN A 22 3.893 -6.765 3.779 1.00 51.01 H new ATOM 0 HG2 GLN A 22 6.255 -6.137 3.569 1.00 34.31 H new ATOM 0 HG3 GLN A 22 5.963 -7.077 5.019 1.00 34.31 H new ATOM 0 HE21 GLN A 22 8.079 -7.716 5.231 1.00 25.41 H new ATOM 0 HE22 GLN A 22 8.818 -8.916 4.166 1.00 25.41 H new ATOM 138 N GLN A 23 3.368 -8.653 6.089 1.00 63.43 N ATOM 139 CA GLN A 23 3.427 -8.841 7.529 1.00 63.53 C ATOM 140 C GLN A 23 3.232 -10.302 7.912 1.00 42.04 C ATOM 141 O GLN A 23 3.823 -10.785 8.883 1.00 20.50 O ATOM 142 CB GLN A 23 2.452 -7.924 8.260 1.00 51.44 C ATOM 143 CG GLN A 23 2.858 -6.456 8.219 1.00 74.55 C ATOM 144 CD GLN A 23 4.230 -6.232 8.844 1.00 41.13 C ATOM 145 OE1 GLN A 23 4.343 -6.015 10.040 1.00 11.41 O ATOM 146 NE2 GLN A 23 5.268 -6.295 8.046 1.00 14.40 N ATOM 0 H GLN A 23 2.566 -8.116 5.761 1.00 63.43 H new ATOM 0 HA GLN A 23 4.429 -8.557 7.851 1.00 63.53 H new ATOM 0 HB2 GLN A 23 1.462 -8.032 7.818 1.00 51.44 H new ATOM 0 HB3 GLN A 23 2.374 -8.243 9.299 1.00 51.44 H new ATOM 0 HG2 GLN A 23 2.868 -6.110 7.185 1.00 74.55 H new ATOM 0 HG3 GLN A 23 2.115 -5.858 8.748 1.00 74.55 H new ATOM 0 HE21 GLN A 23 5.136 -6.478 7.051 1.00 14.40 H new ATOM 0 HE22 GLN A 23 6.208 -6.161 8.420 1.00 14.40 H new ATOM 155 N LEU A 24 2.430 -11.000 7.139 1.00 43.54 N ATOM 156 CA LEU A 24 2.231 -12.429 7.315 1.00 63.45 C ATOM 157 C LEU A 24 3.503 -13.182 6.968 1.00 1.43 C ATOM 158 O LEU A 24 3.950 -14.042 7.727 1.00 12.15 O ATOM 159 CB LEU A 24 1.098 -12.923 6.427 1.00 2.00 C ATOM 160 CG LEU A 24 0.901 -14.431 6.403 1.00 13.24 C ATOM 161 CD1 LEU A 24 0.388 -14.951 7.725 1.00 33.45 C ATOM 162 CD2 LEU A 24 0.007 -14.840 5.276 1.00 74.24 C ATOM 0 H LEU A 24 1.895 -10.597 6.369 1.00 43.54 H new ATOM 0 HA LEU A 24 1.974 -12.611 8.358 1.00 63.45 H new ATOM 0 HB2 LEU A 24 0.170 -12.457 6.758 1.00 2.00 H new ATOM 0 HB3 LEU A 24 1.281 -12.581 5.408 1.00 2.00 H new ATOM 0 HG LEU A 24 1.879 -14.883 6.237 1.00 13.24 H new ATOM 0 HD11 LEU A 24 0.261 -16.032 7.666 1.00 33.45 H new ATOM 0 HD12 LEU A 24 1.103 -14.712 8.512 1.00 33.45 H new ATOM 0 HD13 LEU A 24 -0.571 -14.485 7.952 1.00 33.45 H new ATOM 0 HD21 LEU A 24 -0.116 -15.923 5.284 1.00 74.24 H new ATOM 0 HD22 LEU A 24 -0.966 -14.364 5.392 1.00 74.24 H new ATOM 0 HD23 LEU A 24 0.451 -14.532 4.329 1.00 74.24 H new ATOM 174 N ARG A 25 4.081 -12.826 5.832 1.00 20.14 N ATOM 175 CA ARG A 25 5.273 -13.434 5.312 1.00 2.32 C ATOM 176 C ARG A 25 6.392 -13.370 6.348 1.00 74.22 C ATOM 177 O ARG A 25 7.039 -14.376 6.639 1.00 24.42 O ATOM 178 CB ARG A 25 5.653 -12.720 4.013 1.00 14.10 C ATOM 179 CG ARG A 25 6.748 -13.383 3.238 1.00 61.33 C ATOM 180 CD ARG A 25 6.950 -12.715 1.883 1.00 45.25 C ATOM 181 NE ARG A 25 7.944 -13.440 1.054 1.00 65.44 N ATOM 182 CZ ARG A 25 7.718 -13.888 -0.208 1.00 24.20 C ATOM 183 NH1 ARG A 25 6.548 -13.746 -0.763 1.00 45.41 N ATOM 184 NH2 ARG A 25 8.666 -14.514 -0.896 1.00 13.03 N ATOM 0 H ARG A 25 3.715 -12.083 5.236 1.00 20.14 H new ATOM 0 HA ARG A 25 5.102 -14.488 5.095 1.00 2.32 H new ATOM 0 HB2 ARG A 25 4.768 -12.649 3.380 1.00 14.10 H new ATOM 0 HB3 ARG A 25 5.958 -11.701 4.249 1.00 14.10 H new ATOM 0 HG2 ARG A 25 7.676 -13.342 3.808 1.00 61.33 H new ATOM 0 HG3 ARG A 25 6.508 -14.437 3.094 1.00 61.33 H new ATOM 0 HD2 ARG A 25 5.998 -12.671 1.354 1.00 45.25 H new ATOM 0 HD3 ARG A 25 7.280 -11.687 2.030 1.00 45.25 H new ATOM 0 HE ARG A 25 8.863 -13.614 1.461 1.00 65.44 H new ATOM 0 HH11 ARG A 25 5.791 -13.295 -0.249 1.00 45.41 H new ATOM 0 HH12 ARG A 25 6.389 -14.086 -1.711 1.00 45.41 H new ATOM 0 HH21 ARG A 25 9.584 -14.666 -0.478 1.00 13.03 H new ATOM 0 HH22 ARG A 25 8.476 -14.843 -1.843 1.00 13.03 H new ATOM 198 N GLU A 26 6.569 -12.199 6.930 1.00 0.45 N ATOM 199 CA GLU A 26 7.542 -11.999 7.988 1.00 33.30 C ATOM 200 C GLU A 26 7.209 -12.844 9.221 1.00 62.53 C ATOM 201 O GLU A 26 8.067 -13.566 9.732 1.00 4.23 O ATOM 202 CB GLU A 26 7.576 -10.551 8.398 1.00 35.52 C ATOM 203 CG GLU A 26 8.152 -9.597 7.392 1.00 60.32 C ATOM 204 CD GLU A 26 7.978 -8.163 7.835 1.00 40.33 C ATOM 205 OE1 GLU A 26 7.998 -7.902 9.078 1.00 55.23 O ATOM 206 OE2 GLU A 26 7.756 -7.302 6.967 1.00 13.44 O ATOM 0 H GLU A 26 6.043 -11.360 6.683 1.00 0.45 H new ATOM 0 HA GLU A 26 8.513 -12.304 7.597 1.00 33.30 H new ATOM 0 HB2 GLU A 26 6.559 -10.235 8.628 1.00 35.52 H new ATOM 0 HB3 GLU A 26 8.152 -10.468 9.320 1.00 35.52 H new ATOM 0 HG2 GLU A 26 9.211 -9.810 7.250 1.00 60.32 H new ATOM 0 HG3 GLU A 26 7.665 -9.744 6.428 1.00 60.32 H new ATOM 213 N ARG A 27 5.954 -12.762 9.679 1.00 24.14 N ATOM 214 CA ARG A 27 5.517 -13.456 10.877 1.00 2.11 C ATOM 215 C ARG A 27 5.692 -14.954 10.805 1.00 21.42 C ATOM 216 O ARG A 27 6.062 -15.561 11.781 1.00 22.10 O ATOM 217 CB ARG A 27 4.086 -13.134 11.220 1.00 3.31 C ATOM 218 CG ARG A 27 3.914 -12.143 12.375 1.00 1.11 C ATOM 219 CD ARG A 27 4.332 -10.703 12.052 1.00 75.42 C ATOM 220 NE ARG A 27 5.789 -10.491 12.038 1.00 44.31 N ATOM 221 CZ ARG A 27 6.412 -9.510 11.356 1.00 23.22 C ATOM 222 NH1 ARG A 27 5.729 -8.682 10.583 1.00 22.55 N ATOM 223 NH2 ARG A 27 7.717 -9.358 11.451 1.00 53.13 N ATOM 0 H ARG A 27 5.223 -12.213 9.226 1.00 24.14 H new ATOM 0 HA ARG A 27 6.170 -13.088 11.668 1.00 2.11 H new ATOM 0 HB2 ARG A 27 3.597 -12.728 10.335 1.00 3.31 H new ATOM 0 HB3 ARG A 27 3.570 -14.060 11.473 1.00 3.31 H new ATOM 0 HG2 ARG A 27 2.868 -12.143 12.683 1.00 1.11 H new ATOM 0 HG3 ARG A 27 4.497 -12.494 13.227 1.00 1.11 H new ATOM 0 HD2 ARG A 27 3.926 -10.427 11.079 1.00 75.42 H new ATOM 0 HD3 ARG A 27 3.885 -10.032 12.786 1.00 75.42 H new ATOM 0 HE ARG A 27 6.367 -11.131 12.582 1.00 44.31 H new ATOM 0 HH11 ARG A 27 4.717 -8.782 10.497 1.00 22.55 H new ATOM 0 HH12 ARG A 27 6.214 -7.944 10.073 1.00 22.55 H new ATOM 0 HH21 ARG A 27 8.262 -9.985 12.043 1.00 53.13 H new ATOM 0 HH22 ARG A 27 8.183 -8.614 10.932 1.00 53.13 H new ATOM 237 N LEU A 28 5.461 -15.537 9.646 1.00 40.34 N ATOM 238 CA LEU A 28 5.567 -16.985 9.494 1.00 24.24 C ATOM 239 C LEU A 28 7.000 -17.427 9.592 1.00 25.41 C ATOM 240 O LEU A 28 7.317 -18.363 10.311 1.00 12.41 O ATOM 241 CB LEU A 28 4.946 -17.455 8.181 1.00 41.01 C ATOM 242 CG LEU A 28 3.443 -17.256 8.055 1.00 45.33 C ATOM 243 CD1 LEU A 28 2.954 -17.718 6.710 1.00 64.21 C ATOM 244 CD2 LEU A 28 2.728 -18.007 9.140 1.00 4.44 C ATOM 0 H LEU A 28 5.199 -15.038 8.796 1.00 40.34 H new ATOM 0 HA LEU A 28 5.008 -17.445 10.309 1.00 24.24 H new ATOM 0 HB2 LEU A 28 5.434 -16.929 7.361 1.00 41.01 H new ATOM 0 HB3 LEU A 28 5.166 -18.515 8.055 1.00 41.01 H new ATOM 0 HG LEU A 28 3.232 -16.191 8.156 1.00 45.33 H new ATOM 0 HD11 LEU A 28 1.877 -17.566 6.643 1.00 64.21 H new ATOM 0 HD12 LEU A 28 3.451 -17.146 5.926 1.00 64.21 H new ATOM 0 HD13 LEU A 28 3.180 -18.777 6.585 1.00 64.21 H new ATOM 0 HD21 LEU A 28 1.653 -17.857 9.039 1.00 4.44 H new ATOM 0 HD22 LEU A 28 2.955 -19.070 9.057 1.00 4.44 H new ATOM 0 HD23 LEU A 28 3.056 -17.641 10.113 1.00 4.44 H new ATOM 256 N ILE A 29 7.857 -16.729 8.891 1.00 23.33 N ATOM 257 CA ILE A 29 9.291 -16.968 8.924 1.00 75.43 C ATOM 258 C ILE A 29 9.788 -16.931 10.378 1.00 53.34 C ATOM 259 O ILE A 29 10.460 -17.846 10.849 1.00 21.22 O ATOM 260 CB ILE A 29 9.990 -15.873 8.064 1.00 54.11 C ATOM 261 CG1 ILE A 29 9.734 -16.129 6.567 1.00 1.35 C ATOM 262 CG2 ILE A 29 11.467 -15.735 8.376 1.00 24.12 C ATOM 263 CD1 ILE A 29 10.273 -15.053 5.646 1.00 54.02 C ATOM 0 H ILE A 29 7.582 -15.967 8.271 1.00 23.33 H new ATOM 0 HA ILE A 29 9.527 -17.950 8.515 1.00 75.43 H new ATOM 0 HB ILE A 29 9.546 -14.913 8.328 1.00 54.11 H new ATOM 0 HG12 ILE A 29 10.183 -17.083 6.292 1.00 1.35 H new ATOM 0 HG13 ILE A 29 8.660 -16.224 6.406 1.00 1.35 H new ATOM 0 HG21 ILE A 29 11.901 -14.958 7.747 1.00 24.12 H new ATOM 0 HG22 ILE A 29 11.594 -15.466 9.425 1.00 24.12 H new ATOM 0 HG23 ILE A 29 11.970 -16.682 8.181 1.00 24.12 H new ATOM 0 HD11 ILE A 29 10.049 -15.314 4.612 1.00 54.02 H new ATOM 0 HD12 ILE A 29 9.806 -14.099 5.889 1.00 54.02 H new ATOM 0 HD13 ILE A 29 11.352 -14.972 5.774 1.00 54.02 H new ATOM 275 N GLN A 30 9.352 -15.925 11.083 1.00 62.41 N ATOM 276 CA GLN A 30 9.744 -15.694 12.452 1.00 23.20 C ATOM 277 C GLN A 30 9.070 -16.671 13.449 1.00 53.32 C ATOM 278 O GLN A 30 9.663 -17.021 14.457 1.00 72.44 O ATOM 279 CB GLN A 30 9.471 -14.229 12.786 1.00 51.24 C ATOM 280 CG GLN A 30 10.384 -13.280 12.008 1.00 20.32 C ATOM 281 CD GLN A 30 9.880 -11.847 11.924 1.00 34.50 C ATOM 282 OE1 GLN A 30 9.171 -11.347 12.799 1.00 12.05 O ATOM 283 NE2 GLN A 30 10.240 -11.173 10.852 1.00 40.12 N ATOM 0 H GLN A 30 8.702 -15.228 10.719 1.00 62.41 H new ATOM 0 HA GLN A 30 10.810 -15.897 12.557 1.00 23.20 H new ATOM 0 HB2 GLN A 30 8.430 -13.995 12.562 1.00 51.24 H new ATOM 0 HB3 GLN A 30 9.610 -14.070 13.855 1.00 51.24 H new ATOM 0 HG2 GLN A 30 11.369 -13.279 12.476 1.00 20.32 H new ATOM 0 HG3 GLN A 30 10.512 -13.667 10.997 1.00 20.32 H new ATOM 0 HE21 GLN A 30 10.828 -11.615 10.145 1.00 40.12 H new ATOM 0 HE22 GLN A 30 9.931 -10.209 10.728 1.00 40.12 H new ATOM 292 N GLU A 31 7.854 -17.123 13.149 1.00 64.14 N ATOM 293 CA GLU A 31 7.143 -18.046 14.042 1.00 43.12 C ATOM 294 C GLU A 31 7.643 -19.481 13.883 1.00 3.03 C ATOM 295 O GLU A 31 7.813 -20.212 14.865 1.00 64.54 O ATOM 296 CB GLU A 31 5.623 -18.022 13.813 1.00 54.54 C ATOM 297 CG GLU A 31 4.895 -18.956 14.774 1.00 32.40 C ATOM 298 CD GLU A 31 3.403 -18.979 14.644 1.00 23.13 C ATOM 299 OE1 GLU A 31 2.862 -18.746 13.552 1.00 74.11 O ATOM 300 OE2 GLU A 31 2.731 -19.319 15.645 1.00 23.11 O ATOM 0 H GLU A 31 7.342 -16.870 12.304 1.00 64.14 H new ATOM 0 HA GLU A 31 7.351 -17.700 15.054 1.00 43.12 H new ATOM 0 HB2 GLU A 31 5.251 -17.005 13.941 1.00 54.54 H new ATOM 0 HB3 GLU A 31 5.405 -18.314 12.786 1.00 54.54 H new ATOM 0 HG2 GLU A 31 5.271 -19.968 14.624 1.00 32.40 H new ATOM 0 HG3 GLU A 31 5.149 -18.669 15.794 1.00 32.40 H new ATOM 307 N LEU A 32 7.873 -19.879 12.651 1.00 73.45 N ATOM 308 CA LEU A 32 8.312 -21.237 12.351 1.00 32.53 C ATOM 309 C LEU A 32 9.804 -21.420 12.617 1.00 72.12 C ATOM 310 O LEU A 32 10.328 -22.519 12.452 1.00 1.35 O ATOM 311 CB LEU A 32 7.992 -21.629 10.891 1.00 23.30 C ATOM 312 CG LEU A 32 6.527 -21.987 10.507 1.00 23.34 C ATOM 313 CD1 LEU A 32 5.547 -20.847 10.729 1.00 11.12 C ATOM 314 CD2 LEU A 32 6.487 -22.430 9.064 1.00 4.24 C ATOM 0 H LEU A 32 7.764 -19.282 11.831 1.00 73.45 H new ATOM 0 HA LEU A 32 7.757 -21.896 13.019 1.00 32.53 H new ATOM 0 HB2 LEU A 32 8.307 -20.803 10.253 1.00 23.30 H new ATOM 0 HB3 LEU A 32 8.617 -22.485 10.636 1.00 23.30 H new ATOM 0 HG LEU A 32 6.210 -22.794 11.168 1.00 23.34 H new ATOM 0 HD11 LEU A 32 4.546 -21.167 10.440 1.00 11.12 H new ATOM 0 HD12 LEU A 32 5.549 -20.566 11.782 1.00 11.12 H new ATOM 0 HD13 LEU A 32 5.843 -19.990 10.124 1.00 11.12 H new ATOM 0 HD21 LEU A 32 5.463 -22.682 8.789 1.00 4.24 H new ATOM 0 HD22 LEU A 32 6.846 -21.623 8.425 1.00 4.24 H new ATOM 0 HD23 LEU A 32 7.124 -23.305 8.934 1.00 4.24 H new ATOM 326 N ASN A 33 10.474 -20.324 13.032 1.00 2.42 N ATOM 327 CA ASN A 33 11.934 -20.302 13.300 1.00 0.24 C ATOM 328 C ASN A 33 12.656 -20.648 11.988 1.00 23.34 C ATOM 329 O ASN A 33 13.693 -21.322 11.943 1.00 60.43 O ATOM 330 CB ASN A 33 12.298 -21.299 14.442 1.00 23.44 C ATOM 331 CG ASN A 33 13.710 -21.111 15.024 1.00 25.33 C ATOM 332 OD1 ASN A 33 13.906 -20.371 15.979 1.00 12.31 O ATOM 333 ND2 ASN A 33 14.688 -21.772 14.460 1.00 2.41 N ATOM 0 H ASN A 33 10.019 -19.425 13.192 1.00 2.42 H new ATOM 0 HA ASN A 33 12.249 -19.315 13.639 1.00 0.24 H new ATOM 0 HB2 ASN A 33 11.570 -21.193 15.246 1.00 23.44 H new ATOM 0 HB3 ASN A 33 12.207 -22.317 14.062 1.00 23.44 H new ATOM 0 HD21 ASN A 33 15.639 -21.677 14.815 1.00 2.41 H new ATOM 0 HD22 ASN A 33 14.499 -22.383 13.665 1.00 2.41 H new ATOM 340 N LEU A 34 12.104 -20.142 10.922 1.00 45.13 N ATOM 341 CA LEU A 34 12.588 -20.404 9.613 1.00 0.04 C ATOM 342 C LEU A 34 13.204 -19.164 9.006 1.00 21.24 C ATOM 343 O LEU A 34 13.157 -18.092 9.585 1.00 52.54 O ATOM 344 CB LEU A 34 11.475 -21.007 8.722 1.00 44.03 C ATOM 345 CG LEU A 34 11.098 -22.467 9.022 1.00 32.44 C ATOM 346 CD1 LEU A 34 10.091 -22.986 8.015 1.00 2.42 C ATOM 347 CD2 LEU A 34 12.332 -23.360 9.054 1.00 0.32 C ATOM 0 H LEU A 34 11.291 -19.526 10.948 1.00 45.13 H new ATOM 0 HA LEU A 34 13.380 -21.150 9.680 1.00 0.04 H new ATOM 0 HB2 LEU A 34 10.581 -20.392 8.824 1.00 44.03 H new ATOM 0 HB3 LEU A 34 11.792 -20.939 7.681 1.00 44.03 H new ATOM 0 HG LEU A 34 10.638 -22.492 10.010 1.00 32.44 H new ATOM 0 HD11 LEU A 34 9.842 -24.021 8.250 1.00 2.42 H new ATOM 0 HD12 LEU A 34 9.188 -22.377 8.056 1.00 2.42 H new ATOM 0 HD13 LEU A 34 10.518 -22.934 7.014 1.00 2.42 H new ATOM 0 HD21 LEU A 34 12.033 -24.386 9.268 1.00 0.32 H new ATOM 0 HD22 LEU A 34 12.833 -23.323 8.087 1.00 0.32 H new ATOM 0 HD23 LEU A 34 13.014 -23.011 9.830 1.00 0.32 H new ATOM 359 N THR A 35 13.813 -19.316 7.870 1.00 3.43 N ATOM 360 CA THR A 35 14.445 -18.220 7.204 1.00 71.45 C ATOM 361 C THR A 35 13.782 -18.024 5.838 1.00 3.13 C ATOM 362 O THR A 35 13.157 -18.956 5.337 1.00 73.23 O ATOM 363 CB THR A 35 15.964 -18.495 7.055 1.00 55.05 C ATOM 364 OG1 THR A 35 16.164 -19.764 6.419 1.00 42.34 O ATOM 365 CG2 THR A 35 16.647 -18.510 8.415 1.00 35.24 C ATOM 0 H THR A 35 13.886 -20.206 7.378 1.00 3.43 H new ATOM 0 HA THR A 35 14.328 -17.307 7.788 1.00 71.45 H new ATOM 0 HB THR A 35 16.398 -17.699 6.450 1.00 55.05 H new ATOM 0 HG1 THR A 35 17.124 -19.935 6.324 1.00 42.34 H new ATOM 0 HG21 THR A 35 17.712 -18.705 8.285 1.00 35.24 H new ATOM 0 HG22 THR A 35 16.511 -17.544 8.901 1.00 35.24 H new ATOM 0 HG23 THR A 35 16.208 -19.292 9.034 1.00 35.24 H new ATOM 373 N PRO A 36 13.906 -16.832 5.206 1.00 1.01 N ATOM 374 CA PRO A 36 13.255 -16.537 3.900 1.00 72.25 C ATOM 375 C PRO A 36 13.694 -17.471 2.758 1.00 61.32 C ATOM 376 O PRO A 36 13.027 -17.569 1.745 1.00 14.52 O ATOM 377 CB PRO A 36 13.697 -15.099 3.593 1.00 42.21 C ATOM 378 CG PRO A 36 14.101 -14.522 4.905 1.00 24.33 C ATOM 379 CD PRO A 36 14.649 -15.660 5.714 1.00 74.34 C ATOM 0 HA PRO A 36 12.176 -16.678 3.969 1.00 72.25 H new ATOM 0 HB2 PRO A 36 14.526 -15.085 2.886 1.00 42.21 H new ATOM 0 HB3 PRO A 36 12.886 -14.526 3.145 1.00 42.21 H new ATOM 0 HG2 PRO A 36 14.851 -13.742 4.773 1.00 24.33 H new ATOM 0 HG3 PRO A 36 13.249 -14.063 5.407 1.00 24.33 H new ATOM 0 HD2 PRO A 36 15.724 -15.773 5.571 1.00 74.34 H new ATOM 0 HD3 PRO A 36 14.483 -15.511 6.781 1.00 74.34 H new ATOM 387 N GLN A 37 14.830 -18.121 2.927 1.00 13.42 N ATOM 388 CA GLN A 37 15.346 -19.036 1.911 1.00 53.02 C ATOM 389 C GLN A 37 15.013 -20.484 2.254 1.00 72.25 C ATOM 390 O GLN A 37 15.369 -21.401 1.532 1.00 14.10 O ATOM 391 CB GLN A 37 16.853 -18.850 1.728 1.00 63.11 C ATOM 392 CG GLN A 37 17.247 -17.469 1.216 1.00 25.34 C ATOM 393 CD GLN A 37 18.750 -17.291 1.091 1.00 51.35 C ATOM 394 OE1 GLN A 37 19.482 -18.231 0.855 1.00 4.11 O ATOM 395 NE2 GLN A 37 19.214 -16.075 1.241 1.00 65.34 N ATOM 0 H GLN A 37 15.418 -18.036 3.756 1.00 13.42 H new ATOM 0 HA GLN A 37 14.858 -18.798 0.966 1.00 53.02 H new ATOM 0 HB2 GLN A 37 17.350 -19.029 2.682 1.00 63.11 H new ATOM 0 HB3 GLN A 37 17.220 -19.604 1.031 1.00 63.11 H new ATOM 0 HG2 GLN A 37 16.784 -17.302 0.243 1.00 25.34 H new ATOM 0 HG3 GLN A 37 16.851 -16.710 1.891 1.00 25.34 H new ATOM 0 HE21 GLN A 37 18.574 -15.306 1.439 1.00 65.34 H new ATOM 0 HE22 GLN A 37 20.215 -15.898 1.160 1.00 65.34 H new ATOM 404 N GLN A 38 14.355 -20.676 3.369 1.00 14.03 N ATOM 405 CA GLN A 38 13.950 -21.969 3.790 1.00 21.25 C ATOM 406 C GLN A 38 12.436 -22.042 3.706 1.00 73.21 C ATOM 407 O GLN A 38 11.874 -23.009 3.224 1.00 3.12 O ATOM 408 CB GLN A 38 14.442 -22.194 5.211 1.00 40.32 C ATOM 409 CG GLN A 38 14.067 -23.520 5.805 1.00 45.24 C ATOM 410 CD GLN A 38 14.625 -24.728 5.054 1.00 20.21 C ATOM 411 OE1 GLN A 38 15.769 -24.580 4.424 1.00 23.34 O flip ATOM 412 NE2 GLN A 38 14.031 -25.785 5.052 1.00 23.34 N flip ATOM 0 H GLN A 38 14.089 -19.926 4.007 1.00 14.03 H new ATOM 0 HA GLN A 38 14.373 -22.748 3.156 1.00 21.25 H new ATOM 0 HB2 GLN A 38 15.528 -22.100 5.223 1.00 40.32 H new ATOM 0 HB3 GLN A 38 14.046 -21.402 5.847 1.00 40.32 H new ATOM 0 HG2 GLN A 38 14.418 -23.555 6.836 1.00 45.24 H new ATOM 0 HG3 GLN A 38 12.980 -23.597 5.835 1.00 45.24 H new ATOM 0 HE21 GLN A 38 13.145 -25.873 5.549 1.00 23.34 H new ATOM 0 HE22 GLN A 38 14.418 -26.586 4.553 1.00 23.34 H new ATOM 421 N LEU A 39 11.789 -20.997 4.166 1.00 43.14 N ATOM 422 CA LEU A 39 10.371 -20.902 4.072 1.00 32.21 C ATOM 423 C LEU A 39 10.076 -20.081 2.838 1.00 31.31 C ATOM 424 O LEU A 39 10.051 -18.842 2.885 1.00 61.31 O ATOM 425 CB LEU A 39 9.772 -20.241 5.346 1.00 44.04 C ATOM 426 CG LEU A 39 8.253 -20.397 5.624 1.00 15.20 C ATOM 427 CD1 LEU A 39 7.915 -19.794 6.965 1.00 4.25 C ATOM 428 CD2 LEU A 39 7.404 -19.739 4.564 1.00 65.24 C ATOM 0 H LEU A 39 12.238 -20.197 4.612 1.00 43.14 H new ATOM 0 HA LEU A 39 9.916 -21.890 3.997 1.00 32.21 H new ATOM 0 HB2 LEU A 39 10.308 -20.639 6.208 1.00 44.04 H new ATOM 0 HB3 LEU A 39 9.991 -19.174 5.299 1.00 44.04 H new ATOM 0 HG LEU A 39 8.034 -21.465 5.616 1.00 15.20 H new ATOM 0 HD11 LEU A 39 6.848 -19.906 7.156 1.00 4.25 H new ATOM 0 HD12 LEU A 39 8.479 -20.304 7.746 1.00 4.25 H new ATOM 0 HD13 LEU A 39 8.174 -18.735 6.964 1.00 4.25 H new ATOM 0 HD21 LEU A 39 6.350 -19.877 4.805 1.00 65.24 H new ATOM 0 HD22 LEU A 39 7.631 -18.674 4.525 1.00 65.24 H new ATOM 0 HD23 LEU A 39 7.617 -20.191 3.595 1.00 65.24 H new ATOM 440 N HIS A 40 9.982 -20.753 1.734 1.00 20.24 N ATOM 441 CA HIS A 40 9.613 -20.125 0.511 1.00 4.01 C ATOM 442 C HIS A 40 8.077 -20.079 0.474 1.00 32.42 C ATOM 443 O HIS A 40 7.417 -20.784 1.239 1.00 71.24 O ATOM 444 CB HIS A 40 10.223 -20.882 -0.676 1.00 42.42 C ATOM 445 CG HIS A 40 10.067 -20.191 -1.993 1.00 40.13 C ATOM 446 ND1 HIS A 40 9.362 -20.710 -3.027 1.00 41.15 N ATOM 447 CD2 HIS A 40 10.551 -19.002 -2.426 1.00 5.22 C ATOM 448 CE1 HIS A 40 9.417 -19.860 -4.049 1.00 62.11 C ATOM 449 NE2 HIS A 40 10.132 -18.796 -3.735 1.00 11.20 N ATOM 0 H HIS A 40 10.160 -21.755 1.658 1.00 20.24 H new ATOM 0 HA HIS A 40 9.998 -19.108 0.442 1.00 4.01 H new ATOM 0 HB2 HIS A 40 11.285 -21.039 -0.485 1.00 42.42 H new ATOM 0 HB3 HIS A 40 9.761 -21.867 -0.739 1.00 42.42 H new ATOM 0 HD1 HIS A 40 8.871 -21.604 -3.023 1.00 41.15 H new ATOM 0 HD2 HIS A 40 11.163 -18.325 -1.848 1.00 5.22 H new ATOM 0 HE1 HIS A 40 8.941 -20.019 -5.005 1.00 62.11 H new ATOM 457 N GLU A 41 7.505 -19.282 -0.389 1.00 60.21 N ATOM 458 CA GLU A 41 6.081 -19.042 -0.318 1.00 33.43 C ATOM 459 C GLU A 41 5.189 -20.173 -0.847 1.00 24.34 C ATOM 460 O GLU A 41 4.022 -20.264 -0.462 1.00 60.12 O ATOM 461 CB GLU A 41 5.710 -17.681 -0.884 1.00 1.45 C ATOM 462 CG GLU A 41 6.065 -17.446 -2.334 1.00 4.23 C ATOM 463 CD GLU A 41 5.758 -16.028 -2.719 1.00 65.11 C ATOM 464 OE1 GLU A 41 4.567 -15.662 -2.750 1.00 65.33 O ATOM 465 OE2 GLU A 41 6.718 -15.239 -2.917 1.00 63.31 O ATOM 0 H GLU A 41 7.991 -18.792 -1.140 1.00 60.21 H new ATOM 0 HA GLU A 41 5.859 -19.031 0.749 1.00 33.43 H new ATOM 0 HB2 GLU A 41 4.635 -17.542 -0.767 1.00 1.45 H new ATOM 0 HB3 GLU A 41 6.198 -16.914 -0.282 1.00 1.45 H new ATOM 0 HG2 GLU A 41 7.123 -17.654 -2.495 1.00 4.23 H new ATOM 0 HG3 GLU A 41 5.505 -18.132 -2.969 1.00 4.23 H new ATOM 472 N GLU A 42 5.706 -21.038 -1.682 1.00 64.33 N ATOM 473 CA GLU A 42 4.889 -22.142 -2.190 1.00 1.32 C ATOM 474 C GLU A 42 5.038 -23.389 -1.333 1.00 54.43 C ATOM 475 O GLU A 42 4.347 -24.388 -1.533 1.00 32.41 O ATOM 476 CB GLU A 42 5.131 -22.424 -3.693 1.00 54.01 C ATOM 477 CG GLU A 42 6.588 -22.417 -4.148 1.00 34.34 C ATOM 478 CD GLU A 42 7.482 -23.350 -3.369 1.00 53.45 C ATOM 479 OE1 GLU A 42 8.035 -22.894 -2.336 1.00 63.13 O ATOM 480 OE2 GLU A 42 7.648 -24.487 -3.766 1.00 3.43 O ATOM 0 H GLU A 42 6.666 -21.013 -2.026 1.00 64.33 H new ATOM 0 HA GLU A 42 3.849 -21.824 -2.113 1.00 1.32 H new ATOM 0 HB2 GLU A 42 4.700 -23.396 -3.934 1.00 54.01 H new ATOM 0 HB3 GLU A 42 4.586 -21.681 -4.274 1.00 54.01 H new ATOM 0 HG2 GLU A 42 6.629 -22.688 -5.203 1.00 34.34 H new ATOM 0 HG3 GLU A 42 6.979 -21.403 -4.064 1.00 34.34 H new ATOM 487 N SER A 43 5.924 -23.302 -0.375 1.00 21.14 N ATOM 488 CA SER A 43 6.180 -24.369 0.520 1.00 2.14 C ATOM 489 C SER A 43 4.985 -24.538 1.471 1.00 61.31 C ATOM 490 O SER A 43 4.428 -23.548 1.982 1.00 25.43 O ATOM 491 CB SER A 43 7.463 -24.062 1.275 1.00 4.21 C ATOM 492 OG SER A 43 8.519 -23.746 0.361 1.00 54.12 O ATOM 0 H SER A 43 6.489 -22.470 -0.203 1.00 21.14 H new ATOM 0 HA SER A 43 6.307 -25.309 -0.017 1.00 2.14 H new ATOM 0 HB2 SER A 43 7.300 -23.226 1.955 1.00 4.21 H new ATOM 0 HB3 SER A 43 7.747 -24.919 1.886 1.00 4.21 H new ATOM 0 HG SER A 43 8.146 -23.605 -0.534 1.00 54.12 H new ATOM 498 N ASN A 44 4.564 -25.782 1.662 1.00 14.21 N ATOM 499 CA ASN A 44 3.418 -26.089 2.513 1.00 0.50 C ATOM 500 C ASN A 44 3.761 -25.736 3.947 1.00 52.22 C ATOM 501 O ASN A 44 4.763 -26.209 4.469 1.00 52.25 O ATOM 502 CB ASN A 44 3.090 -27.574 2.478 1.00 62.54 C ATOM 503 CG ASN A 44 1.714 -27.878 3.043 1.00 25.21 C ATOM 504 OD1 ASN A 44 1.561 -28.061 4.236 1.00 2.22 O ATOM 505 ND2 ASN A 44 0.716 -27.952 2.193 1.00 21.44 N ATOM 0 H ASN A 44 5.001 -26.600 1.237 1.00 14.21 H new ATOM 0 HA ASN A 44 2.565 -25.517 2.148 1.00 0.50 H new ATOM 0 HB2 ASN A 44 3.144 -27.931 1.449 1.00 62.54 H new ATOM 0 HB3 ASN A 44 3.842 -28.123 3.046 1.00 62.54 H new ATOM 0 HD21 ASN A 44 -0.223 -28.169 2.527 1.00 21.44 H new ATOM 0 HD22 ASN A 44 0.880 -27.793 1.199 1.00 21.44 H new ATOM 512 N LEU A 45 2.929 -24.949 4.586 1.00 12.11 N ATOM 513 CA LEU A 45 3.213 -24.501 5.939 1.00 52.01 C ATOM 514 C LEU A 45 3.042 -25.609 6.946 1.00 60.32 C ATOM 515 O LEU A 45 3.786 -25.681 7.912 1.00 34.50 O ATOM 516 CB LEU A 45 2.359 -23.306 6.313 1.00 43.15 C ATOM 517 CG LEU A 45 2.499 -22.100 5.404 1.00 22.40 C ATOM 518 CD1 LEU A 45 1.629 -20.969 5.903 1.00 53.23 C ATOM 519 CD2 LEU A 45 3.956 -21.653 5.304 1.00 24.43 C ATOM 0 H LEU A 45 2.051 -24.604 4.197 1.00 12.11 H new ATOM 0 HA LEU A 45 4.259 -24.195 5.958 1.00 52.01 H new ATOM 0 HB2 LEU A 45 1.314 -23.615 6.321 1.00 43.15 H new ATOM 0 HB3 LEU A 45 2.610 -23.005 7.330 1.00 43.15 H new ATOM 0 HG LEU A 45 2.168 -22.384 4.405 1.00 22.40 H new ATOM 0 HD11 LEU A 45 1.737 -20.108 5.243 1.00 53.23 H new ATOM 0 HD12 LEU A 45 0.587 -21.289 5.914 1.00 53.23 H new ATOM 0 HD13 LEU A 45 1.934 -20.693 6.912 1.00 53.23 H new ATOM 0 HD21 LEU A 45 4.027 -20.787 4.646 1.00 24.43 H new ATOM 0 HD22 LEU A 45 4.324 -21.387 6.295 1.00 24.43 H new ATOM 0 HD23 LEU A 45 4.559 -22.466 4.899 1.00 24.43 H new ATOM 531 N ILE A 46 2.095 -26.487 6.699 1.00 5.33 N ATOM 532 CA ILE A 46 1.852 -27.618 7.603 1.00 5.13 C ATOM 533 C ILE A 46 3.067 -28.535 7.592 1.00 52.02 C ATOM 534 O ILE A 46 3.570 -28.951 8.635 1.00 32.30 O ATOM 535 CB ILE A 46 0.564 -28.410 7.226 1.00 33.43 C ATOM 536 CG1 ILE A 46 -0.657 -27.469 7.244 1.00 3.35 C ATOM 537 CG2 ILE A 46 0.352 -29.588 8.185 1.00 44.31 C ATOM 538 CD1 ILE A 46 -1.975 -28.143 6.899 1.00 23.51 C ATOM 0 H ILE A 46 1.478 -26.451 5.888 1.00 5.33 H new ATOM 0 HA ILE A 46 1.693 -27.223 8.606 1.00 5.13 H new ATOM 0 HB ILE A 46 0.683 -28.811 6.220 1.00 33.43 H new ATOM 0 HG12 ILE A 46 -0.740 -27.021 8.234 1.00 3.35 H new ATOM 0 HG13 ILE A 46 -0.484 -26.655 6.540 1.00 3.35 H new ATOM 0 HG21 ILE A 46 -0.552 -30.128 7.904 1.00 44.31 H new ATOM 0 HG22 ILE A 46 1.208 -30.261 8.130 1.00 44.31 H new ATOM 0 HG23 ILE A 46 0.250 -29.214 9.204 1.00 44.31 H new ATOM 0 HD11 ILE A 46 -2.780 -27.409 6.936 1.00 23.51 H new ATOM 0 HD12 ILE A 46 -1.916 -28.567 5.896 1.00 23.51 H new ATOM 0 HD13 ILE A 46 -2.176 -28.938 7.617 1.00 23.51 H new ATOM 550 N GLN A 47 3.589 -28.742 6.400 1.00 64.25 N ATOM 551 CA GLN A 47 4.784 -29.553 6.180 1.00 75.34 C ATOM 552 C GLN A 47 6.041 -28.836 6.709 1.00 72.43 C ATOM 553 O GLN A 47 7.114 -29.420 6.780 1.00 23.20 O ATOM 554 CB GLN A 47 4.933 -29.852 4.678 1.00 32.32 C ATOM 555 CG GLN A 47 3.793 -30.676 4.084 1.00 44.42 C ATOM 556 CD GLN A 47 3.617 -32.023 4.761 1.00 12.30 C ATOM 557 OE1 GLN A 47 2.871 -32.156 5.711 1.00 74.53 O ATOM 558 NE2 GLN A 47 4.307 -33.023 4.276 1.00 52.34 N ATOM 0 H GLN A 47 3.196 -28.351 5.544 1.00 64.25 H new ATOM 0 HA GLN A 47 4.677 -30.490 6.727 1.00 75.34 H new ATOM 0 HB2 GLN A 47 5.003 -28.908 4.137 1.00 32.32 H new ATOM 0 HB3 GLN A 47 5.871 -30.383 4.517 1.00 32.32 H new ATOM 0 HG2 GLN A 47 2.864 -30.111 4.165 1.00 44.42 H new ATOM 0 HG3 GLN A 47 3.980 -30.832 3.022 1.00 44.42 H new ATOM 0 HE21 GLN A 47 4.924 -32.877 3.477 1.00 52.34 H new ATOM 0 HE22 GLN A 47 4.228 -33.949 4.697 1.00 52.34 H new ATOM 567 N ALA A 48 5.887 -27.569 7.061 1.00 0.21 N ATOM 568 CA ALA A 48 6.975 -26.763 7.577 1.00 1.43 C ATOM 569 C ALA A 48 6.844 -26.567 9.095 1.00 3.51 C ATOM 570 O ALA A 48 7.641 -25.867 9.706 1.00 13.21 O ATOM 571 CB ALA A 48 7.026 -25.417 6.858 1.00 14.21 C ATOM 0 H ALA A 48 4.999 -27.072 6.995 1.00 0.21 H new ATOM 0 HA ALA A 48 7.910 -27.291 7.389 1.00 1.43 H new ATOM 0 HB1 ALA A 48 7.848 -24.823 7.256 1.00 14.21 H new ATOM 0 HB2 ALA A 48 7.180 -25.580 5.791 1.00 14.21 H new ATOM 0 HB3 ALA A 48 6.087 -24.886 7.012 1.00 14.21 H new ATOM 577 N GLY A 49 5.829 -27.179 9.695 1.00 44.15 N ATOM 578 CA GLY A 49 5.683 -27.097 11.139 1.00 35.50 C ATOM 579 C GLY A 49 4.527 -26.225 11.609 1.00 41.14 C ATOM 580 O GLY A 49 4.365 -26.002 12.813 1.00 23.10 O ATOM 0 H GLY A 49 5.112 -27.724 9.216 1.00 44.15 H new ATOM 0 HA2 GLY A 49 5.547 -28.103 11.535 1.00 35.50 H new ATOM 0 HA3 GLY A 49 6.609 -26.710 11.564 1.00 35.50 H new ATOM 584 N LEU A 50 3.741 -25.723 10.689 1.00 33.24 N ATOM 585 CA LEU A 50 2.585 -24.924 11.037 1.00 61.53 C ATOM 586 C LEU A 50 1.352 -25.799 11.054 1.00 74.22 C ATOM 587 O LEU A 50 0.879 -26.263 10.027 1.00 42.41 O ATOM 588 CB LEU A 50 2.461 -23.695 10.100 1.00 1.31 C ATOM 589 CG LEU A 50 1.299 -22.708 10.349 1.00 71.51 C ATOM 590 CD1 LEU A 50 1.681 -21.337 9.857 1.00 44.33 C ATOM 591 CD2 LEU A 50 0.043 -23.142 9.614 1.00 64.33 C ATOM 0 H LEU A 50 3.879 -25.853 9.687 1.00 33.24 H new ATOM 0 HA LEU A 50 2.702 -24.517 12.041 1.00 61.53 H new ATOM 0 HB2 LEU A 50 3.394 -23.134 10.159 1.00 1.31 H new ATOM 0 HB3 LEU A 50 2.374 -24.062 9.077 1.00 1.31 H new ATOM 0 HG LEU A 50 1.102 -22.692 11.421 1.00 71.51 H new ATOM 0 HD11 LEU A 50 0.858 -20.644 10.035 1.00 44.33 H new ATOM 0 HD12 LEU A 50 2.567 -20.993 10.391 1.00 44.33 H new ATOM 0 HD13 LEU A 50 1.895 -21.380 8.789 1.00 44.33 H new ATOM 0 HD21 LEU A 50 -0.757 -22.428 9.808 1.00 64.33 H new ATOM 0 HD22 LEU A 50 0.243 -23.180 8.543 1.00 64.33 H new ATOM 0 HD23 LEU A 50 -0.259 -24.130 9.962 1.00 64.33 H new ATOM 603 N ASP A 51 0.895 -26.033 12.241 1.00 20.32 N ATOM 604 CA ASP A 51 -0.257 -26.853 12.563 1.00 32.41 C ATOM 605 C ASP A 51 -1.574 -26.221 12.091 1.00 22.14 C ATOM 606 O ASP A 51 -1.599 -25.134 11.502 1.00 54.22 O ATOM 607 CB ASP A 51 -0.276 -27.052 14.077 1.00 35.24 C ATOM 608 CG ASP A 51 -0.114 -25.732 14.794 1.00 64.43 C ATOM 609 OD1 ASP A 51 1.061 -25.281 14.962 1.00 0.13 O ATOM 610 OD2 ASP A 51 -1.117 -25.104 15.130 1.00 15.13 O ATOM 0 H ASP A 51 1.334 -25.638 13.072 1.00 20.32 H new ATOM 0 HA ASP A 51 -0.171 -27.807 12.043 1.00 32.41 H new ATOM 0 HB2 ASP A 51 -1.214 -27.520 14.375 1.00 35.24 H new ATOM 0 HB3 ASP A 51 0.526 -27.730 14.369 1.00 35.24 H new HETATM 615 O 4HH A 52 -5.653 -24.863 12.678 1.00 31.55 O HETATM 616 C 4HH A 52 -4.587 -25.451 12.918 1.00 0.14 C HETATM 617 CA 4HH A 52 -3.972 -26.430 11.926 1.00 65.44 C HETATM 618 N 4HH A 52 -2.674 -26.844 12.438 1.00 42.52 N HETATM 619 CB 4HH A 52 -4.859 -27.646 11.754 1.00 20.14 C HETATM 620 OG 4HH A 52 -5.046 -28.245 13.029 1.00 14.12 O HETATM 621 CJ 4HH A 52 -7.731 -27.457 13.405 1.00 35.50 C HETATM 622 CK 4HH A 52 -9.203 -27.048 13.235 1.00 12.53 C HETATM 623 CL1 4HH A 52 -9.658 -27.382 11.805 1.00 11.04 C HETATM 624 CL2 4HH A 52 -9.219 -25.539 13.403 1.00 32.33 C HETATM 625 CL3 4HH A 52 -11.584 -27.697 14.249 1.00 42.01 C HETATM 626 CM 4HH A 52 -10.035 -27.850 14.295 1.00 22.51 C HETATM 627 OM 4HH A 52 -9.582 -27.552 15.617 1.00 1.42 O HETATM 628 NN 4HH A 52 -12.141 -26.647 13.665 1.00 2.42 N HETATM 629 ON 4HH A 52 -12.266 -28.550 14.779 1.00 51.34 O HETATM 630 P 4HH A 52 -6.153 -29.376 13.218 1.00 23.21 P HETATM 631 O1P 4HH A 52 -6.088 -29.804 14.623 1.00 52.33 O HETATM 632 O2P 4HH A 52 -5.825 -30.483 12.313 1.00 23.14 O HETATM 633 O3P 4HH A 52 -7.489 -28.796 12.929 1.00 34.13 O HETATM 634 CO 4HH A 52 -12.431 -25.381 14.395 1.00 32.35 C HETATM 635 CP 4HH A 52 -12.724 -24.196 13.475 1.00 1.22 C HETATM 636 CQ 4HH A 52 -13.044 -22.922 14.250 1.00 23.22 C HETATM 637 CS 4HH A 52 -13.556 -21.038 12.782 1.00 75.33 C HETATM 638 CT 4HH A 52 -12.764 -20.109 11.874 1.00 25.23 C HETATM 639 NR 4HH A 52 -12.693 -21.791 13.673 1.00 21.13 N HETATM 640 OR 4HH A 52 -13.590 -22.968 15.336 1.00 24.43 O HETATM 641 SU 4HH A 52 -13.815 -19.210 10.709 1.00 12.42 S ATOM 667 N ILE A 53 -3.928 -25.322 14.043 1.00 34.12 N ATOM 668 CA ILE A 53 -4.345 -24.419 15.071 1.00 72.25 C ATOM 669 C ILE A 53 -3.828 -23.059 14.699 1.00 34.53 C ATOM 670 O ILE A 53 -4.577 -22.076 14.692 1.00 53.14 O ATOM 671 CB ILE A 53 -3.831 -24.845 16.471 1.00 13.21 C ATOM 672 CG1 ILE A 53 -4.352 -26.250 16.827 1.00 74.25 C ATOM 673 CG2 ILE A 53 -4.228 -23.829 17.547 1.00 4.41 C ATOM 674 CD1 ILE A 53 -5.870 -26.386 16.840 1.00 5.33 C ATOM 0 H ILE A 53 -3.082 -25.847 14.266 1.00 34.12 H new ATOM 0 HA ILE A 53 -5.433 -24.419 15.143 1.00 72.25 H new ATOM 0 HB ILE A 53 -2.742 -24.875 16.435 1.00 13.21 H new ATOM 0 HG12 ILE A 53 -3.944 -26.965 16.113 1.00 74.25 H new ATOM 0 HG13 ILE A 53 -3.968 -26.526 17.809 1.00 74.25 H new ATOM 0 HG21 ILE A 53 -3.852 -24.159 18.515 1.00 4.41 H new ATOM 0 HG22 ILE A 53 -3.801 -22.856 17.304 1.00 4.41 H new ATOM 0 HG23 ILE A 53 -5.314 -23.748 17.588 1.00 4.41 H new ATOM 0 HD11 ILE A 53 -6.141 -27.409 17.101 1.00 5.33 H new ATOM 0 HD12 ILE A 53 -6.290 -25.700 17.576 1.00 5.33 H new ATOM 0 HD13 ILE A 53 -6.265 -26.146 15.853 1.00 5.33 H new ATOM 686 N ARG A 54 -2.548 -23.013 14.335 1.00 45.12 N ATOM 687 CA ARG A 54 -1.931 -21.832 13.805 1.00 61.13 C ATOM 688 C ARG A 54 -2.630 -21.367 12.564 1.00 55.24 C ATOM 689 O ARG A 54 -2.874 -20.181 12.397 1.00 12.15 O ATOM 690 CB ARG A 54 -0.515 -22.095 13.477 1.00 51.14 C ATOM 691 CG ARG A 54 0.381 -22.068 14.655 1.00 4.14 C ATOM 692 CD ARG A 54 1.746 -22.235 14.161 1.00 11.11 C ATOM 693 NE ARG A 54 2.788 -22.011 15.162 1.00 65.32 N ATOM 694 CZ ARG A 54 3.723 -22.905 15.462 1.00 51.12 C ATOM 695 NH1 ARG A 54 3.460 -24.207 15.331 1.00 14.05 N ATOM 696 NH2 ARG A 54 4.875 -22.502 16.014 1.00 51.14 N ATOM 0 H ARG A 54 -1.917 -23.811 14.406 1.00 45.12 H new ATOM 0 HA ARG A 54 -2.000 -21.057 14.568 1.00 61.13 H new ATOM 0 HB2 ARG A 54 -0.437 -23.069 12.994 1.00 51.14 H new ATOM 0 HB3 ARG A 54 -0.174 -21.353 12.755 1.00 51.14 H new ATOM 0 HG2 ARG A 54 0.279 -21.126 15.195 1.00 4.14 H new ATOM 0 HG3 ARG A 54 0.124 -22.865 15.353 1.00 4.14 H new ATOM 0 HD2 ARG A 54 1.853 -23.244 13.764 1.00 11.11 H new ATOM 0 HD3 ARG A 54 1.904 -21.547 13.331 1.00 11.11 H new ATOM 0 HE ARG A 54 2.797 -21.119 15.657 1.00 65.32 H new ATOM 0 HH11 ARG A 54 2.544 -24.512 15.002 1.00 14.05 H new ATOM 0 HH12 ARG A 54 4.175 -24.897 15.560 1.00 14.05 H new ATOM 0 HH21 ARG A 54 5.031 -21.512 16.202 1.00 51.14 H new ATOM 0 HH22 ARG A 54 5.596 -23.185 16.246 1.00 51.14 H new ATOM 710 N LEU A 55 -2.973 -22.321 11.713 1.00 24.14 N ATOM 711 CA LEU A 55 -3.667 -22.072 10.450 1.00 51.02 C ATOM 712 C LEU A 55 -4.985 -21.327 10.727 1.00 40.12 C ATOM 713 O LEU A 55 -5.249 -20.273 10.150 1.00 32.34 O ATOM 714 CB LEU A 55 -3.935 -23.443 9.770 1.00 41.05 C ATOM 715 CG LEU A 55 -4.235 -23.493 8.254 1.00 1.31 C ATOM 716 CD1 LEU A 55 -5.484 -22.734 7.865 1.00 44.33 C ATOM 717 CD2 LEU A 55 -3.049 -23.003 7.470 1.00 75.42 C ATOM 0 H LEU A 55 -2.776 -23.308 11.879 1.00 24.14 H new ATOM 0 HA LEU A 55 -3.062 -21.451 9.789 1.00 51.02 H new ATOM 0 HB2 LEU A 55 -3.065 -24.074 9.952 1.00 41.05 H new ATOM 0 HB3 LEU A 55 -4.777 -23.905 10.285 1.00 41.05 H new ATOM 0 HG LEU A 55 -4.426 -24.538 8.009 1.00 1.31 H new ATOM 0 HD11 LEU A 55 -5.635 -22.810 6.788 1.00 44.33 H new ATOM 0 HD12 LEU A 55 -6.344 -23.158 8.383 1.00 44.33 H new ATOM 0 HD13 LEU A 55 -5.374 -21.686 8.143 1.00 44.33 H new ATOM 0 HD21 LEU A 55 -3.275 -23.044 6.404 1.00 75.42 H new ATOM 0 HD22 LEU A 55 -2.825 -21.975 7.754 1.00 75.42 H new ATOM 0 HD23 LEU A 55 -2.186 -23.635 7.682 1.00 75.42 H new ATOM 729 N MET A 56 -5.777 -21.856 11.638 1.00 15.20 N ATOM 730 CA MET A 56 -7.063 -21.253 11.964 1.00 2.22 C ATOM 731 C MET A 56 -6.856 -19.932 12.687 1.00 31.40 C ATOM 732 O MET A 56 -7.571 -18.964 12.450 1.00 32.43 O ATOM 733 CB MET A 56 -7.910 -22.236 12.777 1.00 2.33 C ATOM 734 CG MET A 56 -9.365 -21.821 13.066 1.00 22.31 C ATOM 735 SD MET A 56 -9.567 -20.522 14.287 1.00 52.11 S ATOM 736 CE MET A 56 -8.546 -21.150 15.601 1.00 31.51 C ATOM 0 H MET A 56 -5.558 -22.700 12.167 1.00 15.20 H new ATOM 0 HA MET A 56 -7.609 -21.034 11.046 1.00 2.22 H new ATOM 0 HB2 MET A 56 -7.927 -23.189 12.248 1.00 2.33 H new ATOM 0 HB3 MET A 56 -7.410 -22.409 13.730 1.00 2.33 H new ATOM 0 HG2 MET A 56 -9.824 -21.494 12.133 1.00 22.31 H new ATOM 0 HG3 MET A 56 -9.916 -22.700 13.401 1.00 22.31 H new ATOM 0 HE1 MET A 56 -8.863 -20.714 16.548 1.00 31.51 H new ATOM 0 HE2 MET A 56 -8.643 -22.235 15.651 1.00 31.51 H new ATOM 0 HE3 MET A 56 -7.505 -20.887 15.411 1.00 31.51 H new ATOM 746 N ARG A 57 -5.846 -19.892 13.536 1.00 24.23 N ATOM 747 CA ARG A 57 -5.484 -18.695 14.248 1.00 63.13 C ATOM 748 C ARG A 57 -5.153 -17.568 13.264 1.00 72.34 C ATOM 749 O ARG A 57 -5.418 -16.395 13.519 1.00 63.32 O ATOM 750 CB ARG A 57 -4.280 -18.955 15.031 1.00 13.03 C ATOM 751 CG ARG A 57 -3.918 -17.826 15.935 1.00 44.04 C ATOM 752 CD ARG A 57 -2.560 -18.051 16.398 1.00 12.02 C ATOM 753 NE ARG A 57 -1.629 -17.981 15.259 1.00 33.20 N ATOM 754 CZ ARG A 57 -0.336 -18.312 15.256 1.00 4.34 C ATOM 755 NH1 ARG A 57 0.268 -18.738 16.353 1.00 13.41 N ATOM 756 NH2 ARG A 57 0.347 -18.217 14.135 1.00 5.11 N ATOM 0 H ARG A 57 -5.255 -20.696 13.747 1.00 24.23 H new ATOM 0 HA ARG A 57 -6.320 -18.404 14.884 1.00 63.13 H new ATOM 0 HB2 ARG A 57 -4.428 -19.856 15.626 1.00 13.03 H new ATOM 0 HB3 ARG A 57 -3.449 -19.152 14.354 1.00 13.03 H new ATOM 0 HG2 ARG A 57 -3.990 -16.875 15.407 1.00 44.04 H new ATOM 0 HG3 ARG A 57 -4.606 -17.775 16.779 1.00 44.04 H new ATOM 0 HD2 ARG A 57 -2.292 -17.304 17.146 1.00 12.02 H new ATOM 0 HD3 ARG A 57 -2.487 -19.026 16.881 1.00 12.02 H new ATOM 0 HE ARG A 57 -2.014 -17.643 14.377 1.00 33.20 H new ATOM 0 HH11 ARG A 57 -0.255 -18.819 17.225 1.00 13.41 H new ATOM 0 HH12 ARG A 57 1.257 -18.985 16.327 1.00 13.41 H new ATOM 0 HH21 ARG A 57 -0.113 -17.894 13.284 1.00 5.11 H new ATOM 0 HH22 ARG A 57 1.336 -18.466 14.118 1.00 5.11 H new ATOM 770 N TRP A 58 -4.542 -17.948 12.148 1.00 44.22 N ATOM 771 CA TRP A 58 -4.218 -17.027 11.082 1.00 51.23 C ATOM 772 C TRP A 58 -5.459 -16.503 10.392 1.00 53.22 C ATOM 773 O TRP A 58 -5.479 -15.376 9.917 1.00 20.42 O ATOM 774 CB TRP A 58 -3.212 -17.628 10.090 1.00 61.13 C ATOM 775 CG TRP A 58 -1.790 -17.510 10.553 1.00 22.22 C ATOM 776 CD1 TRP A 58 -0.897 -18.519 10.759 1.00 51.41 C ATOM 777 CD2 TRP A 58 -1.105 -16.289 10.881 1.00 21.12 C ATOM 778 NE1 TRP A 58 0.304 -17.998 11.204 1.00 34.10 N ATOM 779 CE2 TRP A 58 0.199 -16.626 11.271 1.00 44.51 C ATOM 780 CE3 TRP A 58 -1.476 -14.941 10.873 1.00 63.13 C ATOM 781 CZ2 TRP A 58 1.139 -15.657 11.652 1.00 63.22 C ATOM 782 CZ3 TRP A 58 -0.551 -13.991 11.248 1.00 24.42 C ATOM 783 CH2 TRP A 58 0.739 -14.352 11.629 1.00 44.43 C ATOM 0 H TRP A 58 -4.259 -18.910 11.963 1.00 44.22 H new ATOM 0 HA TRP A 58 -3.728 -16.168 11.541 1.00 51.23 H new ATOM 0 HB2 TRP A 58 -3.451 -18.680 9.932 1.00 61.13 H new ATOM 0 HB3 TRP A 58 -3.317 -17.129 9.127 1.00 61.13 H new ATOM 0 HD1 TRP A 58 -1.097 -19.568 10.599 1.00 51.41 H new ATOM 0 HE1 TRP A 58 1.133 -18.541 11.444 1.00 34.10 H new ATOM 0 HE3 TRP A 58 -2.473 -14.649 10.577 1.00 63.13 H new ATOM 0 HZ2 TRP A 58 2.139 -15.932 11.952 1.00 63.22 H new ATOM 0 HZ3 TRP A 58 -0.831 -12.948 11.246 1.00 24.42 H new ATOM 0 HH2 TRP A 58 1.440 -13.581 11.913 1.00 44.43 H new ATOM 794 N LEU A 59 -6.513 -17.285 10.386 1.00 43.42 N ATOM 795 CA LEU A 59 -7.763 -16.828 9.835 1.00 61.14 C ATOM 796 C LEU A 59 -8.376 -15.787 10.770 1.00 22.30 C ATOM 797 O LEU A 59 -9.065 -14.858 10.333 1.00 0.13 O ATOM 798 CB LEU A 59 -8.712 -17.976 9.597 1.00 73.15 C ATOM 799 CG LEU A 59 -10.007 -17.604 8.892 1.00 34.13 C ATOM 800 CD1 LEU A 59 -9.720 -16.903 7.573 1.00 62.12 C ATOM 801 CD2 LEU A 59 -10.782 -18.829 8.631 1.00 12.12 C ATOM 0 H LEU A 59 -6.529 -18.236 10.755 1.00 43.42 H new ATOM 0 HA LEU A 59 -7.574 -16.368 8.865 1.00 61.14 H new ATOM 0 HB2 LEU A 59 -8.199 -18.735 9.006 1.00 73.15 H new ATOM 0 HB3 LEU A 59 -8.956 -18.431 10.557 1.00 73.15 H new ATOM 0 HG LEU A 59 -10.573 -16.926 9.531 1.00 34.13 H new ATOM 0 HD11 LEU A 59 -10.660 -16.646 7.085 1.00 62.12 H new ATOM 0 HD12 LEU A 59 -9.148 -15.994 7.761 1.00 62.12 H new ATOM 0 HD13 LEU A 59 -9.145 -17.566 6.926 1.00 62.12 H new ATOM 0 HD21 LEU A 59 -11.712 -18.570 8.125 1.00 12.12 H new ATOM 0 HD22 LEU A 59 -10.200 -19.500 7.999 1.00 12.12 H new ATOM 0 HD23 LEU A 59 -11.008 -19.325 9.575 1.00 12.12 H new ATOM 813 N HIS A 60 -8.076 -15.928 12.060 1.00 33.34 N ATOM 814 CA HIS A 60 -8.443 -14.935 13.072 1.00 22.34 C ATOM 815 C HIS A 60 -7.684 -13.638 12.867 1.00 71.42 C ATOM 816 O HIS A 60 -7.982 -12.624 13.491 1.00 3.13 O ATOM 817 CB HIS A 60 -8.285 -15.449 14.516 1.00 52.42 C ATOM 818 CG HIS A 60 -9.388 -16.356 14.946 1.00 13.13 C ATOM 819 ND1 HIS A 60 -9.313 -17.241 15.997 1.00 51.23 N ATOM 820 CD2 HIS A 60 -10.639 -16.448 14.472 1.00 32.24 C ATOM 821 CE1 HIS A 60 -10.512 -17.827 16.121 1.00 61.32 C ATOM 822 NE2 HIS A 60 -11.353 -17.376 15.215 1.00 20.34 N ATOM 0 H HIS A 60 -7.572 -16.732 12.434 1.00 33.34 H new ATOM 0 HA HIS A 60 -9.506 -14.740 12.934 1.00 22.34 H new ATOM 0 HB2 HIS A 60 -7.335 -15.977 14.604 1.00 52.42 H new ATOM 0 HB3 HIS A 60 -8.240 -14.597 15.194 1.00 52.42 H new ATOM 0 HD2 HIS A 60 -11.031 -15.885 13.638 1.00 32.24 H new ATOM 0 HE1 HIS A 60 -10.756 -18.570 16.866 1.00 61.32 H new ATOM 0 HE2 HIS A 60 -12.327 -17.651 15.086 1.00 20.34 H new ATOM 830 N TRP A 61 -6.630 -13.707 12.103 1.00 71.24 N ATOM 831 CA TRP A 61 -5.932 -12.537 11.663 1.00 5.42 C ATOM 832 C TRP A 61 -6.653 -12.008 10.415 1.00 63.32 C ATOM 833 O TRP A 61 -7.229 -10.943 10.451 1.00 51.34 O ATOM 834 CB TRP A 61 -4.456 -12.873 11.397 1.00 71.35 C ATOM 835 CG TRP A 61 -3.604 -11.735 10.912 1.00 1.40 C ATOM 836 CD1 TRP A 61 -3.182 -10.653 11.631 1.00 41.02 C ATOM 837 CD2 TRP A 61 -3.030 -11.594 9.605 1.00 42.04 C ATOM 838 NE1 TRP A 61 -2.397 -9.846 10.848 1.00 32.21 N ATOM 839 CE2 TRP A 61 -2.290 -10.401 9.601 1.00 73.35 C ATOM 840 CE3 TRP A 61 -3.079 -12.359 8.437 1.00 20.11 C ATOM 841 CZ2 TRP A 61 -1.600 -9.955 8.478 1.00 3.11 C ATOM 842 CZ3 TRP A 61 -2.394 -11.912 7.324 1.00 33.15 C ATOM 843 CH2 TRP A 61 -1.665 -10.722 7.352 1.00 33.14 C ATOM 0 H TRP A 61 -6.230 -14.583 11.767 1.00 71.24 H new ATOM 0 HA TRP A 61 -5.936 -11.759 12.427 1.00 5.42 H new ATOM 0 HB2 TRP A 61 -4.020 -13.262 12.317 1.00 71.35 H new ATOM 0 HB3 TRP A 61 -4.413 -13.675 10.660 1.00 71.35 H new ATOM 0 HD1 TRP A 61 -3.430 -10.461 12.664 1.00 41.02 H new ATOM 0 HE1 TRP A 61 -1.963 -8.973 11.147 1.00 32.21 H new ATOM 0 HE3 TRP A 61 -3.641 -13.281 8.405 1.00 20.11 H new ATOM 0 HZ2 TRP A 61 -1.034 -9.035 8.497 1.00 3.11 H new ATOM 0 HZ3 TRP A 61 -2.423 -12.494 6.415 1.00 33.15 H new ATOM 0 HH2 TRP A 61 -1.141 -10.402 6.463 1.00 33.14 H new ATOM 854 N PHE A 62 -6.713 -12.844 9.371 1.00 11.40 N ATOM 855 CA PHE A 62 -7.342 -12.494 8.078 1.00 23.43 C ATOM 856 C PHE A 62 -8.750 -11.895 8.190 1.00 32.22 C ATOM 857 O PHE A 62 -8.991 -10.799 7.702 1.00 41.25 O ATOM 858 CB PHE A 62 -7.396 -13.693 7.137 1.00 34.15 C ATOM 859 CG PHE A 62 -6.092 -14.086 6.518 1.00 43.02 C ATOM 860 CD1 PHE A 62 -5.518 -13.295 5.542 1.00 34.22 C ATOM 861 CD2 PHE A 62 -5.456 -15.253 6.884 1.00 75.53 C ATOM 862 CE1 PHE A 62 -4.334 -13.661 4.949 1.00 74.14 C ATOM 863 CE2 PHE A 62 -4.274 -15.626 6.291 1.00 60.32 C ATOM 864 CZ PHE A 62 -3.713 -14.828 5.322 1.00 52.43 C ATOM 0 H PHE A 62 -6.327 -13.788 9.393 1.00 11.40 H new ATOM 0 HA PHE A 62 -6.693 -11.717 7.673 1.00 23.43 H new ATOM 0 HB2 PHE A 62 -7.789 -14.548 7.688 1.00 34.15 H new ATOM 0 HB3 PHE A 62 -8.106 -13.475 6.339 1.00 34.15 H new ATOM 0 HD1 PHE A 62 -6.005 -12.379 5.242 1.00 34.22 H new ATOM 0 HD2 PHE A 62 -5.892 -15.882 7.646 1.00 75.53 H new ATOM 0 HE1 PHE A 62 -3.892 -13.032 4.190 1.00 74.14 H new ATOM 0 HE2 PHE A 62 -3.787 -16.544 6.585 1.00 60.32 H new ATOM 0 HZ PHE A 62 -2.784 -15.119 4.854 1.00 52.43 H new ATOM 874 N ARG A 63 -9.676 -12.603 8.834 1.00 23.43 N ATOM 875 CA ARG A 63 -11.070 -12.132 8.933 1.00 73.32 C ATOM 876 C ARG A 63 -11.201 -10.846 9.699 1.00 13.03 C ATOM 877 O ARG A 63 -12.105 -10.058 9.467 1.00 52.21 O ATOM 878 CB ARG A 63 -11.970 -13.172 9.545 1.00 23.42 C ATOM 879 CG ARG A 63 -12.269 -14.308 8.610 1.00 2.22 C ATOM 880 CD ARG A 63 -13.500 -15.010 9.064 1.00 0.04 C ATOM 881 NE ARG A 63 -13.961 -16.015 8.095 1.00 60.53 N ATOM 882 CZ ARG A 63 -15.153 -16.627 8.099 1.00 54.24 C ATOM 883 NH1 ARG A 63 -16.010 -16.433 9.112 1.00 13.05 N ATOM 884 NH2 ARG A 63 -15.486 -17.439 7.086 1.00 3.30 N ATOM 0 H ARG A 63 -9.497 -13.496 9.293 1.00 23.43 H new ATOM 0 HA ARG A 63 -11.385 -11.945 7.906 1.00 73.32 H new ATOM 0 HB2 ARG A 63 -11.502 -13.565 10.448 1.00 23.42 H new ATOM 0 HB3 ARG A 63 -12.905 -12.702 9.849 1.00 23.42 H new ATOM 0 HG2 ARG A 63 -12.404 -13.933 7.596 1.00 2.22 H new ATOM 0 HG3 ARG A 63 -11.429 -15.003 8.584 1.00 2.22 H new ATOM 0 HD2 ARG A 63 -13.307 -15.494 10.021 1.00 0.04 H new ATOM 0 HD3 ARG A 63 -14.292 -14.279 9.230 1.00 0.04 H new ATOM 0 HE ARG A 63 -13.313 -16.270 7.350 1.00 60.53 H new ATOM 0 HH11 ARG A 63 -15.756 -15.817 9.884 1.00 13.05 H new ATOM 0 HH12 ARG A 63 -16.916 -16.901 9.110 1.00 13.05 H new ATOM 0 HH21 ARG A 63 -14.833 -17.589 6.317 1.00 3.30 H new ATOM 0 HH22 ARG A 63 -16.392 -17.907 7.084 1.00 3.30 H new ATOM 898 N LYS A 64 -10.262 -10.628 10.558 1.00 14.23 N ATOM 899 CA LYS A 64 -10.234 -9.493 11.438 1.00 71.51 C ATOM 900 C LYS A 64 -9.643 -8.296 10.686 1.00 43.52 C ATOM 901 O LYS A 64 -9.892 -7.147 11.020 1.00 75.35 O ATOM 902 CB LYS A 64 -9.370 -9.901 12.593 1.00 54.34 C ATOM 903 CG LYS A 64 -9.400 -9.050 13.835 1.00 71.13 C ATOM 904 CD LYS A 64 -8.594 -9.762 14.903 1.00 42.01 C ATOM 905 CE LYS A 64 -7.107 -9.797 14.544 1.00 12.10 C ATOM 906 NZ LYS A 64 -6.405 -10.869 15.272 1.00 21.12 N ATOM 0 H LYS A 64 -9.464 -11.252 10.676 1.00 14.23 H new ATOM 0 HA LYS A 64 -11.223 -9.198 11.787 1.00 71.51 H new ATOM 0 HB2 LYS A 64 -9.650 -10.916 12.877 1.00 54.34 H new ATOM 0 HB3 LYS A 64 -8.339 -9.941 12.241 1.00 54.34 H new ATOM 0 HG2 LYS A 64 -8.980 -8.064 13.633 1.00 71.13 H new ATOM 0 HG3 LYS A 64 -10.426 -8.897 14.169 1.00 71.13 H new ATOM 0 HD2 LYS A 64 -8.728 -9.257 15.860 1.00 42.01 H new ATOM 0 HD3 LYS A 64 -8.965 -10.780 15.024 1.00 42.01 H new ATOM 0 HE2 LYS A 64 -6.993 -9.949 13.471 1.00 12.10 H new ATOM 0 HE3 LYS A 64 -6.651 -8.835 14.780 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 -5.379 -10.763 15.141 1.00 21.12 H new ATOM 0 HZ2 LYS A 64 -6.633 -10.808 16.285 1.00 21.12 H new ATOM 0 HZ3 LYS A 64 -6.707 -11.794 14.904 1.00 21.12 H new ATOM 920 N ASN A 65 -8.868 -8.609 9.661 1.00 54.35 N ATOM 921 CA ASN A 65 -8.275 -7.620 8.761 1.00 42.53 C ATOM 922 C ASN A 65 -9.250 -7.318 7.623 1.00 0.05 C ATOM 923 O ASN A 65 -8.955 -6.553 6.713 1.00 21.22 O ATOM 924 CB ASN A 65 -6.930 -8.132 8.179 1.00 3.11 C ATOM 925 CG ASN A 65 -5.767 -8.155 9.175 1.00 73.31 C ATOM 926 OD1 ASN A 65 -5.955 -8.275 10.400 1.00 4.31 O ATOM 927 ND2 ASN A 65 -4.562 -8.088 8.665 1.00 40.22 N ATOM 0 H ASN A 65 -8.626 -9.571 9.423 1.00 54.35 H new ATOM 0 HA ASN A 65 -8.076 -6.711 9.328 1.00 42.53 H new ATOM 0 HB2 ASN A 65 -7.078 -9.140 7.791 1.00 3.11 H new ATOM 0 HB3 ASN A 65 -6.653 -7.503 7.333 1.00 3.11 H new ATOM 0 HD21 ASN A 65 -3.746 -8.134 9.276 1.00 40.22 H new ATOM 0 HD22 ASN A 65 -4.440 -7.990 7.657 1.00 40.22 H new ATOM 934 N GLY A 66 -10.420 -7.944 7.681 1.00 12.40 N ATOM 935 CA GLY A 66 -11.444 -7.706 6.690 1.00 52.41 C ATOM 936 C GLY A 66 -11.437 -8.720 5.561 1.00 11.02 C ATOM 937 O GLY A 66 -12.100 -8.528 4.530 1.00 74.32 O ATOM 0 H GLY A 66 -10.676 -8.617 8.404 1.00 12.40 H new ATOM 0 HA2 GLY A 66 -12.420 -7.721 7.176 1.00 52.41 H new ATOM 0 HA3 GLY A 66 -11.311 -6.708 6.273 1.00 52.41 H new ATOM 941 N TYR A 67 -10.713 -9.794 5.726 1.00 32.40 N ATOM 942 CA TYR A 67 -10.641 -10.815 4.704 1.00 24.30 C ATOM 943 C TYR A 67 -11.725 -11.842 4.831 1.00 43.13 C ATOM 944 O TYR A 67 -11.831 -12.549 5.831 1.00 31.30 O ATOM 945 CB TYR A 67 -9.278 -11.476 4.647 1.00 25.42 C ATOM 946 CG TYR A 67 -8.243 -10.605 4.026 1.00 35.41 C ATOM 947 CD1 TYR A 67 -7.579 -9.635 4.759 1.00 23.22 C ATOM 948 CD2 TYR A 67 -7.946 -10.738 2.690 1.00 55.13 C ATOM 949 CE1 TYR A 67 -6.648 -8.821 4.166 1.00 34.52 C ATOM 950 CE2 TYR A 67 -7.019 -9.941 2.093 1.00 54.54 C ATOM 951 CZ TYR A 67 -6.373 -8.981 2.832 1.00 74.22 C ATOM 952 OH TYR A 67 -5.461 -8.184 2.231 1.00 14.15 O ATOM 0 H TYR A 67 -10.161 -9.989 6.561 1.00 32.40 H new ATOM 0 HA TYR A 67 -10.799 -10.294 3.759 1.00 24.30 H new ATOM 0 HB2 TYR A 67 -8.965 -11.742 5.657 1.00 25.42 H new ATOM 0 HB3 TYR A 67 -9.352 -12.405 4.081 1.00 25.42 H new ATOM 0 HD1 TYR A 67 -7.797 -9.518 5.810 1.00 23.22 H new ATOM 0 HD2 TYR A 67 -8.457 -11.488 2.105 1.00 55.13 H new ATOM 0 HE1 TYR A 67 -6.138 -8.063 4.742 1.00 34.52 H new ATOM 0 HE2 TYR A 67 -6.793 -10.063 1.044 1.00 54.54 H new ATOM 0 HH TYR A 67 -5.151 -8.608 1.403 1.00 14.15 H new ATOM 962 N ARG A 68 -12.523 -11.931 3.802 1.00 33.31 N ATOM 963 CA ARG A 68 -13.592 -12.883 3.748 1.00 32.20 C ATOM 964 C ARG A 68 -13.069 -14.209 3.217 1.00 43.24 C ATOM 965 O ARG A 68 -13.287 -14.583 2.056 1.00 71.31 O ATOM 966 CB ARG A 68 -14.771 -12.364 2.917 1.00 22.14 C ATOM 967 CG ARG A 68 -15.425 -11.106 3.469 1.00 53.12 C ATOM 968 CD ARG A 68 -15.173 -9.915 2.559 1.00 64.41 C ATOM 969 NE ARG A 68 -13.753 -9.479 2.550 1.00 63.44 N ATOM 970 CZ ARG A 68 -12.918 -9.537 1.498 1.00 75.33 C ATOM 971 NH1 ARG A 68 -13.333 -10.054 0.349 1.00 1.02 N ATOM 972 NH2 ARG A 68 -11.673 -9.082 1.622 1.00 33.43 N ATOM 0 H ARG A 68 -12.447 -11.340 2.974 1.00 33.31 H new ATOM 0 HA ARG A 68 -13.972 -13.038 4.758 1.00 32.20 H new ATOM 0 HB2 ARG A 68 -14.424 -12.163 1.903 1.00 22.14 H new ATOM 0 HB3 ARG A 68 -15.524 -13.149 2.847 1.00 22.14 H new ATOM 0 HG2 ARG A 68 -16.498 -11.266 3.575 1.00 53.12 H new ATOM 0 HG3 ARG A 68 -15.034 -10.896 4.465 1.00 53.12 H new ATOM 0 HD2 ARG A 68 -15.475 -10.171 1.543 1.00 64.41 H new ATOM 0 HD3 ARG A 68 -15.800 -9.083 2.878 1.00 64.41 H new ATOM 0 HE ARG A 68 -13.378 -9.102 3.420 1.00 63.44 H new ATOM 0 HH11 ARG A 68 -14.286 -10.408 0.264 1.00 1.02 H new ATOM 0 HH12 ARG A 68 -12.699 -10.098 -0.449 1.00 1.02 H new ATOM 0 HH21 ARG A 68 -11.358 -8.693 2.511 1.00 33.43 H new ATOM 0 HH22 ARG A 68 -11.034 -9.123 0.828 1.00 33.43 H new ATOM 986 N LEU A 69 -12.300 -14.838 4.054 1.00 1.24 N ATOM 987 CA LEU A 69 -11.686 -16.121 3.811 1.00 35.20 C ATOM 988 C LEU A 69 -12.267 -17.101 4.784 1.00 1.14 C ATOM 989 O LEU A 69 -12.636 -16.719 5.894 1.00 32.45 O ATOM 990 CB LEU A 69 -10.169 -16.026 4.053 1.00 40.11 C ATOM 991 CG LEU A 69 -9.340 -15.286 3.007 1.00 63.25 C ATOM 992 CD1 LEU A 69 -7.978 -14.947 3.561 1.00 60.23 C ATOM 993 CD2 LEU A 69 -9.159 -16.160 1.796 1.00 71.13 C ATOM 0 H LEU A 69 -12.069 -14.457 4.971 1.00 1.24 H new ATOM 0 HA LEU A 69 -11.868 -16.434 2.783 1.00 35.20 H new ATOM 0 HB2 LEU A 69 -10.010 -15.539 5.015 1.00 40.11 H new ATOM 0 HB3 LEU A 69 -9.777 -17.039 4.140 1.00 40.11 H new ATOM 0 HG LEU A 69 -9.863 -14.369 2.737 1.00 63.25 H new ATOM 0 HD11 LEU A 69 -7.398 -14.419 2.804 1.00 60.23 H new ATOM 0 HD12 LEU A 69 -8.090 -14.312 4.440 1.00 60.23 H new ATOM 0 HD13 LEU A 69 -7.460 -15.865 3.841 1.00 60.23 H new ATOM 0 HD21 LEU A 69 -8.567 -15.630 1.050 1.00 71.13 H new ATOM 0 HD22 LEU A 69 -8.645 -17.077 2.083 1.00 71.13 H new ATOM 0 HD23 LEU A 69 -10.134 -16.407 1.376 1.00 71.13 H new ATOM 1005 N THR A 70 -12.397 -18.316 4.394 1.00 54.43 N ATOM 1006 CA THR A 70 -12.857 -19.320 5.280 1.00 0.34 C ATOM 1007 C THR A 70 -11.733 -20.351 5.466 1.00 51.51 C ATOM 1008 O THR A 70 -10.827 -20.445 4.623 1.00 0.02 O ATOM 1009 CB THR A 70 -14.159 -19.940 4.745 1.00 42.23 C ATOM 1010 OG1 THR A 70 -15.080 -18.881 4.452 1.00 74.42 O ATOM 1011 CG2 THR A 70 -14.797 -20.865 5.756 1.00 74.24 C ATOM 0 H THR A 70 -12.187 -18.643 3.451 1.00 54.43 H new ATOM 0 HA THR A 70 -13.098 -18.902 6.257 1.00 0.34 H new ATOM 0 HB THR A 70 -13.920 -20.521 3.854 1.00 42.23 H new ATOM 0 HG1 THR A 70 -15.916 -19.260 4.108 1.00 74.42 H new ATOM 0 HG21 THR A 70 -15.714 -21.282 5.340 1.00 74.24 H new ATOM 0 HG22 THR A 70 -14.107 -21.674 5.996 1.00 74.24 H new ATOM 0 HG23 THR A 70 -15.031 -20.307 6.663 1.00 74.24 H new ATOM 1019 N LEU A 71 -11.790 -21.090 6.572 1.00 13.12 N ATOM 1020 CA LEU A 71 -10.728 -21.998 6.993 1.00 62.42 C ATOM 1021 C LEU A 71 -10.349 -22.994 5.923 1.00 1.52 C ATOM 1022 O LEU A 71 -9.184 -23.188 5.682 1.00 33.50 O ATOM 1023 CB LEU A 71 -11.121 -22.743 8.288 1.00 74.42 C ATOM 1024 CG LEU A 71 -10.029 -23.556 8.978 1.00 54.31 C ATOM 1025 CD1 LEU A 71 -8.852 -22.666 9.333 1.00 33.41 C ATOM 1026 CD2 LEU A 71 -10.581 -24.188 10.236 1.00 21.32 C ATOM 0 H LEU A 71 -12.587 -21.074 7.209 1.00 13.12 H new ATOM 0 HA LEU A 71 -9.853 -21.376 7.183 1.00 62.42 H new ATOM 0 HB2 LEU A 71 -11.498 -22.009 9.000 1.00 74.42 H new ATOM 0 HB3 LEU A 71 -11.947 -23.415 8.055 1.00 74.42 H new ATOM 0 HG LEU A 71 -9.690 -24.335 8.296 1.00 54.31 H new ATOM 0 HD11 LEU A 71 -8.082 -23.260 9.824 1.00 33.41 H new ATOM 0 HD12 LEU A 71 -8.444 -22.223 8.425 1.00 33.41 H new ATOM 0 HD13 LEU A 71 -9.184 -21.875 10.005 1.00 33.41 H new ATOM 0 HD21 LEU A 71 -9.798 -24.768 10.726 1.00 21.32 H new ATOM 0 HD22 LEU A 71 -10.931 -23.408 10.912 1.00 21.32 H new ATOM 0 HD23 LEU A 71 -11.412 -24.845 9.979 1.00 21.32 H new ATOM 1038 N ARG A 72 -11.347 -23.547 5.225 1.00 71.24 N ATOM 1039 CA ARG A 72 -11.097 -24.646 4.273 1.00 0.43 C ATOM 1040 C ARG A 72 -10.169 -24.184 3.162 1.00 54.13 C ATOM 1041 O ARG A 72 -9.274 -24.906 2.765 1.00 33.32 O ATOM 1042 CB ARG A 72 -12.355 -25.189 3.558 1.00 13.43 C ATOM 1043 CG ARG A 72 -13.532 -25.661 4.358 1.00 33.52 C ATOM 1044 CD ARG A 72 -14.291 -24.508 4.852 1.00 40.32 C ATOM 1045 NE ARG A 72 -14.608 -23.542 3.770 1.00 21.13 N ATOM 1046 CZ ARG A 72 -15.818 -23.199 3.321 1.00 2.10 C ATOM 1047 NH1 ARG A 72 -16.923 -23.815 3.768 1.00 3.14 N ATOM 1048 NH2 ARG A 72 -15.904 -22.234 2.408 1.00 0.23 N ATOM 0 H ARG A 72 -12.323 -23.260 5.296 1.00 71.24 H new ATOM 0 HA ARG A 72 -10.675 -25.436 4.894 1.00 0.43 H new ATOM 0 HB2 ARG A 72 -12.711 -24.404 2.891 1.00 13.43 H new ATOM 0 HB3 ARG A 72 -12.036 -26.021 2.930 1.00 13.43 H new ATOM 0 HG2 ARG A 72 -14.172 -26.293 3.742 1.00 33.52 H new ATOM 0 HG3 ARG A 72 -13.193 -26.271 5.195 1.00 33.52 H new ATOM 0 HD2 ARG A 72 -15.217 -24.854 5.311 1.00 40.32 H new ATOM 0 HD3 ARG A 72 -13.718 -24.004 5.631 1.00 40.32 H new ATOM 0 HE ARG A 72 -13.813 -23.090 3.319 1.00 21.13 H new ATOM 0 HH11 ARG A 72 -16.847 -24.559 4.462 1.00 3.14 H new ATOM 0 HH12 ARG A 72 -17.839 -23.540 3.414 1.00 3.14 H new ATOM 0 HH21 ARG A 72 -15.058 -21.776 2.068 1.00 0.23 H new ATOM 0 HH22 ARG A 72 -16.816 -21.952 2.048 1.00 0.23 H new ATOM 1062 N GLU A 73 -10.398 -22.965 2.676 1.00 41.24 N ATOM 1063 CA GLU A 73 -9.643 -22.430 1.558 1.00 54.15 C ATOM 1064 C GLU A 73 -8.155 -22.302 1.883 1.00 40.33 C ATOM 1065 O GLU A 73 -7.303 -22.605 1.052 1.00 0.35 O ATOM 1066 CB GLU A 73 -10.207 -21.080 1.071 1.00 32.41 C ATOM 1067 CG GLU A 73 -11.687 -21.102 0.663 1.00 72.43 C ATOM 1068 CD GLU A 73 -12.632 -20.782 1.786 1.00 22.42 C ATOM 1069 OE1 GLU A 73 -13.025 -21.711 2.553 1.00 31.41 O ATOM 1070 OE2 GLU A 73 -13.018 -19.583 1.913 1.00 32.21 O ATOM 0 H GLU A 73 -11.106 -22.331 3.046 1.00 41.24 H new ATOM 0 HA GLU A 73 -9.750 -23.149 0.746 1.00 54.15 H new ATOM 0 HB2 GLU A 73 -10.075 -20.342 1.862 1.00 32.41 H new ATOM 0 HB3 GLU A 73 -9.616 -20.743 0.219 1.00 32.41 H new ATOM 0 HG2 GLU A 73 -11.842 -20.386 -0.144 1.00 72.43 H new ATOM 0 HG3 GLU A 73 -11.930 -22.088 0.266 1.00 72.43 H new ATOM 1077 N LEU A 74 -7.852 -21.889 3.097 1.00 1.21 N ATOM 1078 CA LEU A 74 -6.459 -21.731 3.508 1.00 1.20 C ATOM 1079 C LEU A 74 -5.878 -23.066 3.893 1.00 71.33 C ATOM 1080 O LEU A 74 -4.679 -23.283 3.817 1.00 31.14 O ATOM 1081 CB LEU A 74 -6.331 -20.826 4.728 1.00 12.53 C ATOM 1082 CG LEU A 74 -6.914 -19.436 4.647 1.00 23.53 C ATOM 1083 CD1 LEU A 74 -6.491 -18.648 5.850 1.00 14.42 C ATOM 1084 CD2 LEU A 74 -6.493 -18.732 3.392 1.00 32.22 C ATOM 0 H LEU A 74 -8.539 -21.657 3.815 1.00 1.21 H new ATOM 0 HA LEU A 74 -5.930 -21.293 2.661 1.00 1.20 H new ATOM 0 HB2 LEU A 74 -6.798 -21.335 5.571 1.00 12.53 H new ATOM 0 HB3 LEU A 74 -5.271 -20.730 4.962 1.00 12.53 H new ATOM 0 HG LEU A 74 -8.000 -19.521 4.625 1.00 23.53 H new ATOM 0 HD11 LEU A 74 -6.911 -17.644 5.793 1.00 14.42 H new ATOM 0 HD12 LEU A 74 -6.851 -19.141 6.753 1.00 14.42 H new ATOM 0 HD13 LEU A 74 -5.403 -18.585 5.880 1.00 14.42 H new ATOM 0 HD21 LEU A 74 -6.932 -17.735 3.369 1.00 32.22 H new ATOM 0 HD22 LEU A 74 -5.406 -18.651 3.368 1.00 32.22 H new ATOM 0 HD23 LEU A 74 -6.834 -19.298 2.525 1.00 32.22 H new ATOM 1096 N TYR A 75 -6.750 -23.925 4.318 1.00 51.13 N ATOM 1097 CA TYR A 75 -6.425 -25.220 4.847 1.00 42.14 C ATOM 1098 C TYR A 75 -6.033 -26.164 3.710 1.00 22.10 C ATOM 1099 O TYR A 75 -5.136 -26.986 3.857 1.00 72.14 O ATOM 1100 CB TYR A 75 -7.679 -25.727 5.547 1.00 40.54 C ATOM 1101 CG TYR A 75 -7.519 -26.610 6.680 1.00 32.14 C ATOM 1102 CD1 TYR A 75 -6.378 -27.348 6.918 1.00 22.31 C ATOM 1103 CD2 TYR A 75 -8.546 -26.669 7.557 1.00 20.51 C ATOM 1104 CE1 TYR A 75 -6.290 -28.125 8.035 1.00 60.22 C ATOM 1105 CE2 TYR A 75 -8.499 -27.416 8.643 1.00 64.42 C ATOM 1106 CZ TYR A 75 -7.358 -28.162 8.906 1.00 32.11 C ATOM 1107 OH TYR A 75 -7.269 -28.910 10.027 1.00 40.23 O ATOM 0 H TYR A 75 -7.753 -23.738 4.307 1.00 51.13 H new ATOM 0 HA TYR A 75 -5.584 -25.168 5.539 1.00 42.14 H new ATOM 0 HB2 TYR A 75 -8.249 -24.859 5.879 1.00 40.54 H new ATOM 0 HB3 TYR A 75 -8.288 -26.244 4.806 1.00 40.54 H new ATOM 0 HD1 TYR A 75 -5.555 -27.310 6.220 1.00 22.31 H new ATOM 0 HD2 TYR A 75 -9.434 -26.086 7.362 1.00 20.51 H new ATOM 0 HE1 TYR A 75 -5.399 -28.702 8.234 1.00 60.22 H new ATOM 0 HE2 TYR A 75 -9.339 -27.447 9.321 1.00 64.42 H new ATOM 0 HH TYR A 75 -7.349 -28.331 10.814 1.00 40.23 H new ATOM 1117 N ALA A 76 -6.725 -26.030 2.585 1.00 41.03 N ATOM 1118 CA ALA A 76 -6.472 -26.851 1.411 1.00 54.51 C ATOM 1119 C ALA A 76 -5.114 -26.533 0.808 1.00 44.12 C ATOM 1120 O ALA A 76 -4.382 -27.428 0.386 1.00 43.01 O ATOM 1121 CB ALA A 76 -7.574 -26.653 0.379 1.00 53.02 C ATOM 0 H ALA A 76 -7.475 -25.350 2.463 1.00 41.03 H new ATOM 0 HA ALA A 76 -6.467 -27.896 1.720 1.00 54.51 H new ATOM 0 HB1 ALA A 76 -7.371 -27.274 -0.494 1.00 53.02 H new ATOM 0 HB2 ALA A 76 -8.533 -26.938 0.812 1.00 53.02 H new ATOM 0 HB3 ALA A 76 -7.608 -25.606 0.079 1.00 53.02 H new ATOM 1127 N ALA A 77 -4.772 -25.265 0.779 1.00 71.21 N ATOM 1128 CA ALA A 77 -3.498 -24.857 0.253 1.00 23.52 C ATOM 1129 C ALA A 77 -2.803 -23.899 1.211 1.00 53.14 C ATOM 1130 O ALA A 77 -2.847 -22.678 1.025 1.00 72.13 O ATOM 1131 CB ALA A 77 -3.640 -24.242 -1.138 1.00 33.10 C ATOM 0 H ALA A 77 -5.360 -24.502 1.114 1.00 71.21 H new ATOM 0 HA ALA A 77 -2.876 -25.747 0.153 1.00 23.52 H new ATOM 0 HB1 ALA A 77 -2.658 -23.944 -1.506 1.00 33.10 H new ATOM 0 HB2 ALA A 77 -4.075 -24.975 -1.817 1.00 33.10 H new ATOM 0 HB3 ALA A 77 -4.288 -23.367 -1.085 1.00 33.10 H new ATOM 1137 N PRO A 78 -2.183 -24.420 2.283 1.00 24.32 N ATOM 1138 CA PRO A 78 -1.497 -23.591 3.243 1.00 51.23 C ATOM 1139 C PRO A 78 -0.132 -23.228 2.725 1.00 44.23 C ATOM 1140 O PRO A 78 0.857 -23.940 2.969 1.00 45.02 O ATOM 1141 CB PRO A 78 -1.373 -24.478 4.494 1.00 72.23 C ATOM 1142 CG PRO A 78 -1.997 -25.791 4.132 1.00 14.52 C ATOM 1143 CD PRO A 78 -2.106 -25.831 2.639 1.00 35.45 C ATOM 0 HA PRO A 78 -2.022 -22.658 3.445 1.00 51.23 H new ATOM 0 HB2 PRO A 78 -0.329 -24.607 4.779 1.00 72.23 H new ATOM 0 HB3 PRO A 78 -1.882 -24.026 5.345 1.00 72.23 H new ATOM 0 HG2 PRO A 78 -1.389 -26.619 4.496 1.00 14.52 H new ATOM 0 HG3 PRO A 78 -2.980 -25.890 4.593 1.00 14.52 H new ATOM 0 HD2 PRO A 78 -1.243 -26.317 2.183 1.00 35.45 H new ATOM 0 HD3 PRO A 78 -2.990 -26.379 2.312 1.00 35.45 H new ATOM 1151 N THR A 79 -0.093 -22.159 1.979 1.00 4.44 N ATOM 1152 CA THR A 79 1.096 -21.670 1.345 1.00 32.41 C ATOM 1153 C THR A 79 0.958 -20.175 1.221 1.00 20.21 C ATOM 1154 O THR A 79 -0.134 -19.689 0.928 1.00 0.10 O ATOM 1155 CB THR A 79 1.248 -22.263 -0.094 1.00 64.44 C ATOM 1156 OG1 THR A 79 0.038 -22.048 -0.835 1.00 43.04 O ATOM 1157 CG2 THR A 79 1.554 -23.748 -0.080 1.00 5.30 C ATOM 0 H THR A 79 -0.916 -21.587 1.791 1.00 4.44 H new ATOM 0 HA THR A 79 1.966 -21.957 1.936 1.00 32.41 H new ATOM 0 HB THR A 79 2.088 -21.751 -0.564 1.00 64.44 H new ATOM 0 HG1 THR A 79 0.136 -22.419 -1.737 1.00 43.04 H new ATOM 0 HG21 THR A 79 1.650 -24.109 -1.104 1.00 5.30 H new ATOM 0 HG22 THR A 79 2.488 -23.922 0.455 1.00 5.30 H new ATOM 0 HG23 THR A 79 0.745 -24.282 0.419 1.00 5.30 H new ATOM 1165 N LEU A 80 2.022 -19.456 1.438 1.00 32.42 N ATOM 1166 CA LEU A 80 2.007 -18.017 1.300 1.00 40.13 C ATOM 1167 C LEU A 80 1.666 -17.602 -0.136 1.00 53.04 C ATOM 1168 O LEU A 80 0.919 -16.667 -0.341 1.00 34.31 O ATOM 1169 CB LEU A 80 3.338 -17.423 1.774 1.00 41.23 C ATOM 1170 CG LEU A 80 3.426 -17.057 3.259 1.00 31.35 C ATOM 1171 CD1 LEU A 80 4.864 -16.866 3.684 1.00 64.42 C ATOM 1172 CD2 LEU A 80 2.703 -15.766 3.490 1.00 35.25 C ATOM 0 H LEU A 80 2.924 -19.843 1.715 1.00 32.42 H new ATOM 0 HA LEU A 80 1.220 -17.613 1.937 1.00 40.13 H new ATOM 0 HB2 LEU A 80 4.131 -18.137 1.550 1.00 41.23 H new ATOM 0 HB3 LEU A 80 3.541 -16.527 1.188 1.00 41.23 H new ATOM 0 HG LEU A 80 2.981 -17.868 3.836 1.00 31.35 H new ATOM 0 HD11 LEU A 80 4.899 -16.607 4.742 1.00 64.42 H new ATOM 0 HD12 LEU A 80 5.418 -17.790 3.518 1.00 64.42 H new ATOM 0 HD13 LEU A 80 5.313 -16.063 3.099 1.00 64.42 H new ATOM 0 HD21 LEU A 80 2.762 -15.500 4.545 1.00 35.25 H new ATOM 0 HD22 LEU A 80 3.162 -14.980 2.891 1.00 35.25 H new ATOM 0 HD23 LEU A 80 1.658 -15.878 3.202 1.00 35.25 H new ATOM 1184 N ALA A 81 2.155 -18.363 -1.107 1.00 22.31 N ATOM 1185 CA ALA A 81 1.914 -18.088 -2.527 1.00 53.31 C ATOM 1186 C ALA A 81 0.419 -18.073 -2.858 1.00 60.14 C ATOM 1187 O ALA A 81 -0.091 -17.105 -3.437 1.00 33.13 O ATOM 1188 CB ALA A 81 2.630 -19.111 -3.397 1.00 51.41 C ATOM 0 H ALA A 81 2.730 -19.188 -0.938 1.00 22.31 H new ATOM 0 HA ALA A 81 2.313 -17.096 -2.738 1.00 53.31 H new ATOM 0 HB1 ALA A 81 2.440 -18.892 -4.448 1.00 51.41 H new ATOM 0 HB2 ALA A 81 3.702 -19.066 -3.205 1.00 51.41 H new ATOM 0 HB3 ALA A 81 2.261 -20.110 -3.163 1.00 51.41 H new ATOM 1194 N ALA A 82 -0.291 -19.130 -2.465 1.00 75.21 N ATOM 1195 CA ALA A 82 -1.713 -19.209 -2.748 1.00 23.42 C ATOM 1196 C ALA A 82 -2.481 -18.247 -1.881 1.00 75.41 C ATOM 1197 O ALA A 82 -3.449 -17.653 -2.326 1.00 62.44 O ATOM 1198 CB ALA A 82 -2.248 -20.616 -2.584 1.00 74.11 C ATOM 0 H ALA A 82 0.092 -19.928 -1.958 1.00 75.21 H new ATOM 0 HA ALA A 82 -1.851 -18.929 -3.792 1.00 23.42 H new ATOM 0 HB1 ALA A 82 -3.315 -20.628 -2.806 1.00 74.11 H new ATOM 0 HB2 ALA A 82 -1.728 -21.285 -3.269 1.00 74.11 H new ATOM 0 HB3 ALA A 82 -2.087 -20.949 -1.559 1.00 74.11 H new ATOM 1204 N TRP A 83 -2.032 -18.073 -0.645 1.00 21.24 N ATOM 1205 CA TRP A 83 -2.669 -17.141 0.269 1.00 53.23 C ATOM 1206 C TRP A 83 -2.611 -15.733 -0.257 1.00 53.04 C ATOM 1207 O TRP A 83 -3.583 -15.031 -0.190 1.00 20.23 O ATOM 1208 CB TRP A 83 -2.078 -17.214 1.657 1.00 12.12 C ATOM 1209 CG TRP A 83 -2.512 -18.408 2.450 1.00 71.52 C ATOM 1210 CD1 TRP A 83 -3.160 -19.526 2.014 1.00 3.05 C ATOM 1211 CD2 TRP A 83 -2.333 -18.572 3.828 1.00 24.50 C ATOM 1212 NE1 TRP A 83 -3.366 -20.380 3.052 1.00 32.21 N ATOM 1213 CE2 TRP A 83 -2.881 -19.803 4.187 1.00 31.11 C ATOM 1214 CE3 TRP A 83 -1.757 -17.785 4.785 1.00 44.43 C ATOM 1215 CZ2 TRP A 83 -2.874 -20.259 5.483 1.00 60.13 C ATOM 1216 CZ3 TRP A 83 -1.738 -18.228 6.094 1.00 2.43 C ATOM 1217 CH2 TRP A 83 -2.301 -19.462 6.434 1.00 60.15 C ATOM 0 H TRP A 83 -1.229 -18.566 -0.255 1.00 21.24 H new ATOM 0 HA TRP A 83 -3.715 -17.438 0.341 1.00 53.23 H new ATOM 0 HB2 TRP A 83 -0.991 -17.222 1.576 1.00 12.12 H new ATOM 0 HB3 TRP A 83 -2.351 -16.311 2.203 1.00 12.12 H new ATOM 0 HD1 TRP A 83 -3.465 -19.707 0.994 1.00 3.05 H new ATOM 0 HE1 TRP A 83 -3.809 -21.297 2.991 1.00 32.21 H new ATOM 0 HE3 TRP A 83 -1.323 -16.831 4.523 1.00 44.43 H new ATOM 0 HZ2 TRP A 83 -3.306 -21.214 5.741 1.00 60.13 H new ATOM 0 HZ3 TRP A 83 -1.285 -17.616 6.860 1.00 2.43 H new ATOM 0 HH2 TRP A 83 -2.283 -19.790 7.463 1.00 60.15 H new ATOM 1228 N ASN A 84 -1.462 -15.342 -0.776 1.00 63.25 N ATOM 1229 CA ASN A 84 -1.286 -14.029 -1.444 1.00 40.01 C ATOM 1230 C ASN A 84 -2.378 -13.822 -2.504 1.00 11.43 C ATOM 1231 O ASN A 84 -3.059 -12.782 -2.536 1.00 32.45 O ATOM 1232 CB ASN A 84 0.101 -13.948 -2.108 1.00 44.33 C ATOM 1233 CG ASN A 84 0.399 -12.590 -2.725 1.00 61.55 C ATOM 1234 OD1 ASN A 84 -0.100 -11.569 -2.281 1.00 55.21 O ATOM 1235 ND2 ASN A 84 1.246 -12.569 -3.725 1.00 34.35 N ATOM 0 H ASN A 84 -0.616 -15.911 -0.756 1.00 63.25 H new ATOM 0 HA ASN A 84 -1.366 -13.246 -0.690 1.00 40.01 H new ATOM 0 HB2 ASN A 84 0.865 -14.176 -1.365 1.00 44.33 H new ATOM 0 HB3 ASN A 84 0.170 -14.713 -2.881 1.00 44.33 H new ATOM 0 HD21 ASN A 84 1.505 -11.681 -4.155 1.00 34.35 H new ATOM 0 HD22 ASN A 84 1.646 -13.440 -4.073 1.00 34.35 H new ATOM 1242 N GLN A 85 -2.583 -14.846 -3.328 1.00 2.41 N ATOM 1243 CA GLN A 85 -3.622 -14.825 -4.347 1.00 60.12 C ATOM 1244 C GLN A 85 -4.995 -14.713 -3.674 1.00 55.11 C ATOM 1245 O GLN A 85 -5.810 -13.877 -4.037 1.00 3.12 O ATOM 1246 CB GLN A 85 -3.550 -16.095 -5.204 1.00 71.42 C ATOM 1247 CG GLN A 85 -4.609 -16.167 -6.295 1.00 2.53 C ATOM 1248 CD GLN A 85 -4.536 -17.444 -7.102 1.00 23.23 C ATOM 1249 OE1 GLN A 85 -4.134 -18.485 -6.607 1.00 43.23 O ATOM 1250 NE2 GLN A 85 -4.930 -17.374 -8.347 1.00 3.31 N ATOM 0 H GLN A 85 -2.036 -15.707 -3.307 1.00 2.41 H new ATOM 0 HA GLN A 85 -3.471 -13.963 -4.997 1.00 60.12 H new ATOM 0 HB2 GLN A 85 -2.564 -16.155 -5.665 1.00 71.42 H new ATOM 0 HB3 GLN A 85 -3.652 -16.965 -4.555 1.00 71.42 H new ATOM 0 HG2 GLN A 85 -5.597 -16.086 -5.842 1.00 2.53 H new ATOM 0 HG3 GLN A 85 -4.494 -15.314 -6.963 1.00 2.53 H new ATOM 0 HE21 GLN A 85 -5.260 -16.487 -8.728 1.00 3.31 H new ATOM 0 HE22 GLN A 85 -4.907 -18.206 -8.937 1.00 3.31 H new ATOM 1259 N LEU A 86 -5.202 -15.520 -2.654 1.00 54.42 N ATOM 1260 CA LEU A 86 -6.433 -15.543 -1.874 1.00 1.35 C ATOM 1261 C LEU A 86 -6.690 -14.223 -1.136 1.00 53.22 C ATOM 1262 O LEU A 86 -7.783 -13.974 -0.681 1.00 51.33 O ATOM 1263 CB LEU A 86 -6.424 -16.703 -0.878 1.00 52.23 C ATOM 1264 CG LEU A 86 -6.374 -18.112 -1.479 1.00 2.21 C ATOM 1265 CD1 LEU A 86 -6.307 -19.137 -0.381 1.00 55.43 C ATOM 1266 CD2 LEU A 86 -7.584 -18.377 -2.360 1.00 44.52 C ATOM 0 H LEU A 86 -4.507 -16.195 -2.333 1.00 54.42 H new ATOM 0 HA LEU A 86 -7.247 -15.683 -2.586 1.00 1.35 H new ATOM 0 HB2 LEU A 86 -5.565 -16.581 -0.219 1.00 52.23 H new ATOM 0 HB3 LEU A 86 -7.316 -16.627 -0.256 1.00 52.23 H new ATOM 0 HG LEU A 86 -5.480 -18.184 -2.098 1.00 2.21 H new ATOM 0 HD11 LEU A 86 -6.272 -20.135 -0.817 1.00 55.43 H new ATOM 0 HD12 LEU A 86 -5.412 -18.971 0.218 1.00 55.43 H new ATOM 0 HD13 LEU A 86 -7.189 -19.049 0.253 1.00 55.43 H new ATOM 0 HD21 LEU A 86 -7.520 -19.384 -2.772 1.00 44.52 H new ATOM 0 HD22 LEU A 86 -8.494 -18.285 -1.766 1.00 44.52 H new ATOM 0 HD23 LEU A 86 -7.607 -17.653 -3.174 1.00 44.52 H new ATOM 1278 N MET A 87 -5.682 -13.415 -0.979 1.00 23.32 N ATOM 1279 CA MET A 87 -5.834 -12.161 -0.290 1.00 22.52 C ATOM 1280 C MET A 87 -6.361 -11.125 -1.234 1.00 23.23 C ATOM 1281 O MET A 87 -7.367 -10.469 -0.980 1.00 51.15 O ATOM 1282 CB MET A 87 -4.511 -11.707 0.356 1.00 22.50 C ATOM 1283 CG MET A 87 -4.086 -12.585 1.523 1.00 74.22 C ATOM 1284 SD MET A 87 -2.577 -12.042 2.346 1.00 52.01 S ATOM 1285 CE MET A 87 -3.122 -10.509 3.098 1.00 5.40 C ATOM 0 H MET A 87 -4.739 -13.601 -1.320 1.00 23.32 H new ATOM 0 HA MET A 87 -6.552 -12.296 0.519 1.00 22.52 H new ATOM 0 HB2 MET A 87 -3.725 -11.710 -0.399 1.00 22.50 H new ATOM 0 HB3 MET A 87 -4.616 -10.679 0.702 1.00 22.50 H new ATOM 0 HG2 MET A 87 -4.894 -12.615 2.254 1.00 74.22 H new ATOM 0 HG3 MET A 87 -3.944 -13.604 1.163 1.00 74.22 H new ATOM 0 HE1 MET A 87 -2.416 -10.213 3.874 1.00 5.40 H new ATOM 0 HE2 MET A 87 -3.174 -9.729 2.338 1.00 5.40 H new ATOM 0 HE3 MET A 87 -4.108 -10.651 3.540 1.00 5.40 H new ATOM 1295 N LEU A 88 -5.718 -11.044 -2.341 1.00 51.05 N ATOM 1296 CA LEU A 88 -5.984 -10.064 -3.332 1.00 43.15 C ATOM 1297 C LEU A 88 -7.152 -10.445 -4.267 1.00 33.50 C ATOM 1298 O LEU A 88 -8.098 -9.684 -4.404 1.00 11.10 O ATOM 1299 CB LEU A 88 -4.655 -9.820 -4.067 1.00 21.30 C ATOM 1300 CG LEU A 88 -4.700 -9.475 -5.525 1.00 60.44 C ATOM 1301 CD1 LEU A 88 -5.332 -8.109 -5.776 1.00 55.12 C ATOM 1302 CD2 LEU A 88 -3.327 -9.567 -6.149 1.00 23.25 C ATOM 0 H LEU A 88 -4.963 -11.682 -2.592 1.00 51.05 H new ATOM 0 HA LEU A 88 -6.334 -9.139 -2.875 1.00 43.15 H new ATOM 0 HB2 LEU A 88 -4.133 -9.014 -3.551 1.00 21.30 H new ATOM 0 HB3 LEU A 88 -4.045 -10.717 -3.957 1.00 21.30 H new ATOM 0 HG LEU A 88 -5.341 -10.213 -6.008 1.00 60.44 H new ATOM 0 HD11 LEU A 88 -5.342 -7.904 -6.846 1.00 55.12 H new ATOM 0 HD12 LEU A 88 -6.354 -8.106 -5.396 1.00 55.12 H new ATOM 0 HD13 LEU A 88 -4.752 -7.340 -5.265 1.00 55.12 H new ATOM 0 HD21 LEU A 88 -3.390 -9.311 -7.207 1.00 23.25 H new ATOM 0 HD22 LEU A 88 -2.652 -8.873 -5.648 1.00 23.25 H new ATOM 0 HD23 LEU A 88 -2.947 -10.583 -6.043 1.00 23.25 H new ATOM 1314 N SER A 89 -7.128 -11.641 -4.821 1.00 25.24 N ATOM 1315 CA SER A 89 -8.073 -12.039 -5.872 1.00 13.01 C ATOM 1316 C SER A 89 -9.536 -12.261 -5.393 1.00 33.31 C ATOM 1317 O SER A 89 -10.367 -12.735 -6.153 1.00 11.45 O ATOM 1318 CB SER A 89 -7.539 -13.269 -6.596 1.00 51.24 C ATOM 1319 OG SER A 89 -6.221 -13.016 -7.077 1.00 71.23 O ATOM 0 H SER A 89 -6.461 -12.368 -4.564 1.00 25.24 H new ATOM 0 HA SER A 89 -8.140 -11.193 -6.556 1.00 13.01 H new ATOM 0 HB2 SER A 89 -7.531 -14.124 -5.920 1.00 51.24 H new ATOM 0 HB3 SER A 89 -8.196 -13.526 -7.427 1.00 51.24 H new ATOM 0 HG SER A 89 -5.575 -13.172 -6.357 1.00 71.23 H new ATOM 1325 N ARG A 90 -9.837 -11.927 -4.154 1.00 3.11 N ATOM 1326 CA ARG A 90 -11.205 -12.032 -3.662 1.00 23.45 C ATOM 1327 C ARG A 90 -11.545 -10.821 -2.802 1.00 11.45 C ATOM 1328 O ARG A 90 -12.532 -10.821 -2.066 1.00 3.41 O ATOM 1329 CB ARG A 90 -11.438 -13.362 -2.905 1.00 15.45 C ATOM 1330 CG ARG A 90 -10.582 -13.522 -1.678 1.00 42.15 C ATOM 1331 CD ARG A 90 -10.544 -14.960 -1.165 1.00 53.42 C ATOM 1332 NE ARG A 90 -11.774 -15.439 -0.483 1.00 2.21 N ATOM 1333 CZ ARG A 90 -11.998 -16.740 -0.146 1.00 54.15 C ATOM 1334 NH1 ARG A 90 -11.228 -17.704 -0.652 1.00 64.53 N ATOM 1335 NH2 ARG A 90 -12.990 -17.064 0.682 1.00 35.22 N ATOM 0 H ARG A 90 -9.162 -11.583 -3.471 1.00 3.11 H new ATOM 0 HA ARG A 90 -11.880 -12.041 -4.518 1.00 23.45 H new ATOM 0 HB2 ARG A 90 -12.487 -13.425 -2.615 1.00 15.45 H new ATOM 0 HB3 ARG A 90 -11.244 -14.193 -3.583 1.00 15.45 H new ATOM 0 HG2 ARG A 90 -9.567 -13.195 -1.904 1.00 42.15 H new ATOM 0 HG3 ARG A 90 -10.959 -12.870 -0.890 1.00 42.15 H new ATOM 0 HD2 ARG A 90 -10.339 -15.620 -2.007 1.00 53.42 H new ATOM 0 HD3 ARG A 90 -9.707 -15.056 -0.473 1.00 53.42 H new ATOM 0 HE ARG A 90 -12.493 -14.753 -0.253 1.00 2.21 H new ATOM 0 HH11 ARG A 90 -10.470 -17.468 -1.292 1.00 64.53 H new ATOM 0 HH12 ARG A 90 -11.397 -18.677 -0.399 1.00 64.53 H new ATOM 0 HH21 ARG A 90 -13.589 -16.335 1.069 1.00 35.22 H new ATOM 0 HH22 ARG A 90 -13.150 -18.041 0.929 1.00 35.22 H new ATOM 1349 N SER A 91 -10.734 -9.789 -2.895 1.00 64.44 N ATOM 1350 CA SER A 91 -10.989 -8.561 -2.183 1.00 51.14 C ATOM 1351 C SER A 91 -11.220 -7.437 -3.196 1.00 63.44 C ATOM 1352 O SER A 91 -10.855 -7.595 -4.356 1.00 60.53 O ATOM 1353 CB SER A 91 -9.820 -8.257 -1.244 1.00 12.24 C ATOM 1354 OG SER A 91 -9.683 -9.310 -0.280 1.00 52.34 O ATOM 0 H SER A 91 -9.886 -9.780 -3.462 1.00 64.44 H new ATOM 0 HA SER A 91 -11.885 -8.653 -1.569 1.00 51.14 H new ATOM 0 HB2 SER A 91 -8.899 -8.155 -1.817 1.00 12.24 H new ATOM 0 HB3 SER A 91 -9.987 -7.307 -0.737 1.00 12.24 H new ATOM 0 HG SER A 91 -8.898 -9.854 -0.499 1.00 52.34 H new ATOM 1360 N PRO A 92 -11.892 -6.327 -2.809 1.00 43.45 N ATOM 1361 CA PRO A 92 -12.115 -5.217 -3.727 1.00 15.30 C ATOM 1362 C PRO A 92 -10.823 -4.457 -3.971 1.00 42.32 C ATOM 1363 O PRO A 92 -10.232 -3.899 -3.035 1.00 22.42 O ATOM 1364 CB PRO A 92 -13.134 -4.321 -2.989 1.00 74.12 C ATOM 1365 CG PRO A 92 -13.583 -5.116 -1.804 1.00 20.21 C ATOM 1366 CD PRO A 92 -12.464 -6.058 -1.487 1.00 55.13 C ATOM 0 HA PRO A 92 -12.470 -5.546 -4.704 1.00 15.30 H new ATOM 0 HB2 PRO A 92 -12.678 -3.380 -2.680 1.00 74.12 H new ATOM 0 HB3 PRO A 92 -13.976 -4.070 -3.635 1.00 74.12 H new ATOM 0 HG2 PRO A 92 -13.796 -4.465 -0.956 1.00 20.21 H new ATOM 0 HG3 PRO A 92 -14.500 -5.661 -2.026 1.00 20.21 H new ATOM 0 HD2 PRO A 92 -11.734 -5.609 -0.813 1.00 55.13 H new ATOM 0 HD3 PRO A 92 -12.823 -6.968 -1.007 1.00 55.13 H new ATOM 1374 N GLU A 93 -10.407 -4.440 -5.204 1.00 74.51 N ATOM 1375 CA GLU A 93 -9.192 -3.818 -5.608 1.00 21.52 C ATOM 1376 C GLU A 93 -9.450 -3.000 -6.873 1.00 45.44 C ATOM 1377 O GLU A 93 -9.574 -3.590 -7.943 1.00 74.15 O ATOM 1378 CB GLU A 93 -8.088 -4.883 -5.832 1.00 21.23 C ATOM 1379 CG GLU A 93 -7.628 -5.617 -4.554 1.00 63.23 C ATOM 1380 CD GLU A 93 -6.567 -4.877 -3.733 1.00 53.12 C ATOM 1381 OE1 GLU A 93 -6.798 -3.724 -3.285 1.00 60.25 O ATOM 1382 OE2 GLU A 93 -5.480 -5.467 -3.474 1.00 54.42 O ATOM 1383 OXT GLU A 93 -9.513 -1.734 -6.771 1.00 35.77 O ATOM 0 H GLU A 93 -10.921 -4.871 -5.972 1.00 74.51 H new ATOM 0 HA GLU A 93 -8.839 -3.148 -4.824 1.00 21.52 H new ATOM 0 HB2 GLU A 93 -8.454 -5.621 -6.546 1.00 21.23 H new ATOM 0 HB3 GLU A 93 -7.224 -4.400 -6.288 1.00 21.23 H new ATOM 0 HG2 GLU A 93 -8.498 -5.795 -3.921 1.00 63.23 H new ATOM 0 HG3 GLU A 93 -7.234 -6.593 -4.835 1.00 63.23 H new TER 1390 GLU A 93