USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot 1:sc= -3.89! USER MOD Set 1.2: A 87 MET CE :methyl 146:sc= -1.24 (180deg=-4.5!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -114:sc= 0.25 (180deg=0.0448) USER MOD Set 2.2: A 65 ASN : amide:sc= 0.93 K(o=1.2,f=-8.5!) USER MOD Set 3.1: A 40 HIS : no HD1:sc= 0.652 K(o=-0.38,f=-4.1) USER MOD Set 3.2: A 43 SER OG : rot 54:sc= -1.03! USER MOD Single : A 17 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.5!) USER MOD Single : A 21 TYR OH : rot 28:sc= 0.655 USER MOD Single : A 22 GLN : amide:sc= -0.0571 X(o=-0.057,f=-0.53) USER MOD Single : A 23 GLN :FLIP amide:sc= -3.24! C(o=-4!,f=-3.2!) USER MOD Single : A 30 GLN : amide:sc= 1.61 K(o=1.6,f=-5.1!) USER MOD Single : A 33 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.026) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 37 GLN : amide:sc= 0.841 K(o=0.84,f=-7.1!) USER MOD Single : A 38 GLN : amide:sc= -0.0238 X(o=-0.024,f=-0.49) USER MOD Single : A 44 ASN : amide:sc= 0.0256 K(o=0.026,f=-9.3!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.185 F(o=-0.91,f=-0.19) USER MOD Single : A 56 MET CE :methyl -154:sc= -0.592 (180deg=-1.79!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot -15:sc= 0 USER MOD Single : A 79 THR OG1 : rot 123:sc= 1.11 USER MOD Single : A 84 ASN : amide:sc= -0.812 K(o=-0.81,f=-2.2!) USER MOD Single : A 85 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.73) USER MOD Single : A 89 SER OG : rot 85:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -4.223 -5.361 -0.194 1.00 33.32 N ATOM 52 CA HIS A 17 -4.076 -6.040 1.082 1.00 61.20 C ATOM 53 C HIS A 17 -3.063 -7.133 1.029 1.00 12.04 C ATOM 54 O HIS A 17 -2.584 -7.588 2.034 1.00 73.41 O ATOM 55 CB HIS A 17 -5.381 -6.454 1.722 1.00 64.11 C ATOM 56 CG HIS A 17 -5.942 -5.402 2.620 1.00 3.24 C ATOM 57 ND1 HIS A 17 -5.496 -5.192 3.909 1.00 22.12 N ATOM 58 CD2 HIS A 17 -6.916 -4.488 2.408 1.00 42.14 C ATOM 59 CE1 HIS A 17 -6.197 -4.190 4.430 1.00 4.30 C ATOM 60 NE2 HIS A 17 -7.078 -3.720 3.559 1.00 74.12 N ATOM 0 HA HIS A 17 -3.679 -5.289 1.765 1.00 61.20 H new ATOM 0 HB2 HIS A 17 -6.106 -6.684 0.942 1.00 64.11 H new ATOM 0 HB3 HIS A 17 -5.226 -7.369 2.294 1.00 64.11 H new ATOM 0 HD1 HIS A 17 -4.757 -5.715 4.380 1.00 22.12 H new ATOM 0 HD2 HIS A 17 -7.478 -4.372 1.493 1.00 42.14 H new ATOM 0 HE1 HIS A 17 -6.066 -3.809 5.432 1.00 4.30 H new ATOM 68 N ALA A 18 -2.749 -7.571 -0.172 1.00 14.44 N ATOM 69 CA ALA A 18 -1.666 -8.522 -0.395 1.00 22.21 C ATOM 70 C ALA A 18 -0.333 -7.990 0.185 1.00 53.20 C ATOM 71 O ALA A 18 0.614 -8.718 0.330 1.00 3.20 O ATOM 72 CB ALA A 18 -1.534 -8.863 -1.855 1.00 55.33 C ATOM 0 H ALA A 18 -3.232 -7.282 -1.023 1.00 14.44 H new ATOM 0 HA ALA A 18 -1.913 -9.442 0.134 1.00 22.21 H new ATOM 0 HB1 ALA A 18 -0.719 -9.574 -1.990 1.00 55.33 H new ATOM 0 HB2 ALA A 18 -2.464 -9.306 -2.211 1.00 55.33 H new ATOM 0 HB3 ALA A 18 -1.323 -7.957 -2.423 1.00 55.33 H new ATOM 78 N ALA A 19 -0.265 -6.692 0.458 1.00 32.32 N ATOM 79 CA ALA A 19 0.863 -6.104 1.151 1.00 3.30 C ATOM 80 C ALA A 19 0.988 -6.707 2.572 1.00 60.01 C ATOM 81 O ALA A 19 2.081 -6.797 3.121 1.00 61.22 O ATOM 82 CB ALA A 19 0.709 -4.594 1.214 1.00 32.23 C ATOM 0 H ALA A 19 -0.992 -6.023 0.203 1.00 32.32 H new ATOM 0 HA ALA A 19 1.777 -6.331 0.602 1.00 3.30 H new ATOM 0 HB1 ALA A 19 1.563 -4.163 1.737 1.00 32.23 H new ATOM 0 HB2 ALA A 19 0.662 -4.191 0.203 1.00 32.23 H new ATOM 0 HB3 ALA A 19 -0.208 -4.344 1.748 1.00 32.23 H new ATOM 88 N ASP A 20 -0.145 -7.169 3.130 1.00 30.23 N ATOM 89 CA ASP A 20 -0.177 -7.837 4.447 1.00 14.05 C ATOM 90 C ASP A 20 0.499 -9.176 4.386 1.00 24.01 C ATOM 91 O ASP A 20 0.862 -9.745 5.411 1.00 1.10 O ATOM 92 CB ASP A 20 -1.596 -8.008 5.025 1.00 34.24 C ATOM 93 CG ASP A 20 -2.214 -6.724 5.511 1.00 63.15 C ATOM 94 OD1 ASP A 20 -1.579 -6.048 6.357 1.00 63.00 O ATOM 95 OD2 ASP A 20 -3.343 -6.389 5.056 1.00 32.53 O ATOM 0 H ASP A 20 -1.060 -7.092 2.686 1.00 30.23 H new ATOM 0 HA ASP A 20 0.364 -7.172 5.120 1.00 14.05 H new ATOM 0 HB2 ASP A 20 -2.239 -8.443 4.260 1.00 34.24 H new ATOM 0 HB3 ASP A 20 -1.558 -8.718 5.852 1.00 34.24 H new ATOM 100 N TYR A 21 0.664 -9.690 3.170 1.00 34.23 N ATOM 101 CA TYR A 21 1.372 -10.951 2.928 1.00 50.35 C ATOM 102 C TYR A 21 2.798 -10.832 3.426 1.00 63.14 C ATOM 103 O TYR A 21 3.401 -11.812 3.877 1.00 63.43 O ATOM 104 CB TYR A 21 1.287 -11.334 1.423 1.00 1.31 C ATOM 105 CG TYR A 21 2.585 -11.729 0.724 1.00 24.43 C ATOM 106 CD1 TYR A 21 2.992 -13.038 0.687 1.00 12.32 C ATOM 107 CD2 TYR A 21 3.373 -10.782 0.078 1.00 74.33 C ATOM 108 CE1 TYR A 21 4.139 -13.429 0.043 1.00 14.22 C ATOM 109 CE2 TYR A 21 4.531 -11.150 -0.574 1.00 41.23 C ATOM 110 CZ TYR A 21 4.914 -12.474 -0.592 1.00 20.44 C ATOM 111 OH TYR A 21 6.077 -12.829 -1.236 1.00 21.53 O ATOM 0 H TYR A 21 0.312 -9.246 2.322 1.00 34.23 H new ATOM 0 HA TYR A 21 0.899 -11.761 3.483 1.00 50.35 H new ATOM 0 HB2 TYR A 21 0.586 -12.163 1.326 1.00 1.31 H new ATOM 0 HB3 TYR A 21 0.858 -10.489 0.884 1.00 1.31 H new ATOM 0 HD1 TYR A 21 2.390 -13.786 1.181 1.00 12.32 H new ATOM 0 HD2 TYR A 21 3.074 -9.744 0.087 1.00 74.33 H new ATOM 0 HE1 TYR A 21 4.433 -14.468 0.032 1.00 14.22 H new ATOM 0 HE2 TYR A 21 5.135 -10.404 -1.068 1.00 41.23 H new ATOM 0 HH TYR A 21 6.009 -13.756 -1.546 1.00 21.53 H new ATOM 121 N GLN A 22 3.311 -9.619 3.378 1.00 61.24 N ATOM 122 CA GLN A 22 4.611 -9.328 3.892 1.00 21.23 C ATOM 123 C GLN A 22 4.614 -9.495 5.413 1.00 54.44 C ATOM 124 O GLN A 22 5.426 -10.248 5.944 1.00 60.44 O ATOM 125 CB GLN A 22 5.065 -7.926 3.466 1.00 31.32 C ATOM 126 CG GLN A 22 6.380 -7.487 4.094 1.00 74.33 C ATOM 127 CD GLN A 22 7.532 -8.464 3.849 1.00 44.20 C ATOM 128 OE1 GLN A 22 7.592 -9.146 2.834 1.00 42.40 O ATOM 129 NE2 GLN A 22 8.428 -8.556 4.799 1.00 61.41 N ATOM 0 H GLN A 22 2.828 -8.814 2.979 1.00 61.24 H new ATOM 0 HA GLN A 22 5.330 -10.033 3.474 1.00 21.23 H new ATOM 0 HB2 GLN A 22 5.166 -7.901 2.381 1.00 31.32 H new ATOM 0 HB3 GLN A 22 4.289 -7.207 3.731 1.00 31.32 H new ATOM 0 HG2 GLN A 22 6.654 -6.509 3.698 1.00 74.33 H new ATOM 0 HG3 GLN A 22 6.238 -7.368 5.168 1.00 74.33 H new ATOM 0 HE21 GLN A 22 8.349 -7.973 5.632 1.00 61.41 H new ATOM 0 HE22 GLN A 22 9.205 -9.210 4.706 1.00 61.41 H new ATOM 138 N GLN A 23 3.666 -8.834 6.094 1.00 31.21 N ATOM 139 CA GLN A 23 3.531 -8.937 7.561 1.00 33.13 C ATOM 140 C GLN A 23 3.328 -10.394 7.966 1.00 0.31 C ATOM 141 O GLN A 23 3.924 -10.877 8.937 1.00 64.45 O ATOM 142 CB GLN A 23 2.349 -8.085 8.126 1.00 72.34 C ATOM 143 CG GLN A 23 2.492 -6.554 8.031 1.00 73.42 C ATOM 144 CD GLN A 23 2.514 -6.010 6.615 1.00 35.11 C ATOM 145 OE1 GLN A 23 1.363 -5.679 6.083 1.00 23.33 O flip ATOM 146 NE2 GLN A 23 3.568 -5.885 6.005 1.00 73.50 N flip ATOM 0 H GLN A 23 2.979 -8.221 5.655 1.00 31.21 H new ATOM 0 HA GLN A 23 4.455 -8.543 7.985 1.00 33.13 H new ATOM 0 HB2 GLN A 23 1.439 -8.375 7.601 1.00 72.34 H new ATOM 0 HB3 GLN A 23 2.210 -8.349 9.174 1.00 72.34 H new ATOM 0 HG2 GLN A 23 1.667 -6.091 8.572 1.00 73.42 H new ATOM 0 HG3 GLN A 23 3.411 -6.256 8.535 1.00 73.42 H new ATOM 0 HE21 GLN A 23 4.448 -6.152 6.447 1.00 73.50 H new ATOM 0 HE22 GLN A 23 3.566 -5.514 5.055 1.00 73.50 H new ATOM 155 N LEU A 24 2.491 -11.082 7.199 1.00 3.32 N ATOM 156 CA LEU A 24 2.201 -12.485 7.408 1.00 52.24 C ATOM 157 C LEU A 24 3.464 -13.317 7.359 1.00 40.53 C ATOM 158 O LEU A 24 3.824 -13.975 8.330 1.00 61.34 O ATOM 159 CB LEU A 24 1.266 -13.019 6.321 1.00 21.42 C ATOM 160 CG LEU A 24 0.935 -14.507 6.447 1.00 41.21 C ATOM 161 CD1 LEU A 24 -0.102 -14.774 7.510 1.00 21.41 C ATOM 162 CD2 LEU A 24 0.568 -15.127 5.124 1.00 2.43 C ATOM 0 H LEU A 24 1.993 -10.673 6.409 1.00 3.32 H new ATOM 0 HA LEU A 24 1.732 -12.563 8.389 1.00 52.24 H new ATOM 0 HB2 LEU A 24 0.337 -12.449 6.346 1.00 21.42 H new ATOM 0 HB3 LEU A 24 1.722 -12.842 5.347 1.00 21.42 H new ATOM 0 HG LEU A 24 1.850 -14.999 6.775 1.00 41.21 H new ATOM 0 HD11 LEU A 24 -0.303 -15.844 7.561 1.00 21.41 H new ATOM 0 HD12 LEU A 24 0.268 -14.428 8.475 1.00 21.41 H new ATOM 0 HD13 LEU A 24 -1.021 -14.243 7.263 1.00 21.41 H new ATOM 0 HD21 LEU A 24 0.342 -16.184 5.268 1.00 2.43 H new ATOM 0 HD22 LEU A 24 -0.307 -14.621 4.715 1.00 2.43 H new ATOM 0 HD23 LEU A 24 1.403 -15.026 4.431 1.00 2.43 H new ATOM 174 N ARG A 25 4.144 -13.258 6.231 1.00 24.40 N ATOM 175 CA ARG A 25 5.245 -14.112 5.973 1.00 53.11 C ATOM 176 C ARG A 25 6.455 -13.787 6.836 1.00 71.13 C ATOM 177 O ARG A 25 7.204 -14.689 7.199 1.00 42.03 O ATOM 178 CB ARG A 25 5.560 -14.116 4.490 1.00 65.44 C ATOM 179 CG ARG A 25 6.373 -15.293 4.085 1.00 34.12 C ATOM 180 CD ARG A 25 6.428 -15.460 2.585 1.00 53.51 C ATOM 181 NE ARG A 25 7.220 -14.455 1.888 1.00 73.45 N ATOM 182 CZ ARG A 25 7.975 -14.776 0.830 1.00 44.01 C ATOM 183 NH1 ARG A 25 8.449 -16.007 0.697 1.00 52.11 N ATOM 184 NH2 ARG A 25 8.344 -13.866 -0.043 1.00 24.21 N ATOM 0 H ARG A 25 3.933 -12.607 5.475 1.00 24.40 H new ATOM 0 HA ARG A 25 4.963 -15.126 6.258 1.00 53.11 H new ATOM 0 HB2 ARG A 25 4.629 -14.109 3.924 1.00 65.44 H new ATOM 0 HB3 ARG A 25 6.096 -13.202 4.233 1.00 65.44 H new ATOM 0 HG2 ARG A 25 7.385 -15.184 4.474 1.00 34.12 H new ATOM 0 HG3 ARG A 25 5.954 -16.194 4.534 1.00 34.12 H new ATOM 0 HD2 ARG A 25 6.835 -16.445 2.358 1.00 53.51 H new ATOM 0 HD3 ARG A 25 5.411 -15.437 2.193 1.00 53.51 H new ATOM 0 HE ARG A 25 7.199 -13.488 2.212 1.00 73.45 H new ATOM 0 HH11 ARG A 25 8.239 -16.713 1.402 1.00 52.11 H new ATOM 0 HH12 ARG A 25 9.024 -16.248 -0.110 1.00 52.11 H new ATOM 0 HH21 ARG A 25 8.055 -12.895 0.079 1.00 24.21 H new ATOM 0 HH22 ARG A 25 8.919 -14.130 -0.843 1.00 24.21 H new ATOM 198 N GLU A 26 6.618 -12.519 7.187 1.00 42.43 N ATOM 199 CA GLU A 26 7.694 -12.096 8.068 1.00 65.44 C ATOM 200 C GLU A 26 7.492 -12.753 9.429 1.00 32.13 C ATOM 201 O GLU A 26 8.378 -13.446 9.938 1.00 31.23 O ATOM 202 CB GLU A 26 7.692 -10.577 8.165 1.00 13.04 C ATOM 203 CG GLU A 26 8.973 -9.978 8.717 1.00 4.05 C ATOM 204 CD GLU A 26 9.137 -10.122 10.211 1.00 72.30 C ATOM 205 OE1 GLU A 26 8.404 -9.454 10.957 1.00 24.32 O ATOM 206 OE2 GLU A 26 9.982 -10.928 10.648 1.00 21.31 O ATOM 0 H GLU A 26 6.013 -11.761 6.871 1.00 42.43 H new ATOM 0 HA GLU A 26 8.665 -12.403 7.679 1.00 65.44 H new ATOM 0 HB2 GLU A 26 7.510 -10.163 7.173 1.00 13.04 H new ATOM 0 HB3 GLU A 26 6.860 -10.267 8.797 1.00 13.04 H new ATOM 0 HG2 GLU A 26 9.822 -10.450 8.224 1.00 4.05 H new ATOM 0 HG3 GLU A 26 9.004 -8.919 8.461 1.00 4.05 H new ATOM 213 N ARG A 27 6.280 -12.631 9.969 1.00 22.41 N ATOM 214 CA ARG A 27 5.976 -13.238 11.211 1.00 62.51 C ATOM 215 C ARG A 27 6.020 -14.760 11.113 1.00 53.32 C ATOM 216 O ARG A 27 6.393 -15.414 12.053 1.00 65.25 O ATOM 217 CB ARG A 27 4.651 -12.752 11.744 1.00 4.14 C ATOM 218 CG ARG A 27 4.250 -13.436 13.027 1.00 23.02 C ATOM 219 CD ARG A 27 5.317 -13.392 14.130 1.00 61.32 C ATOM 220 NE ARG A 27 5.057 -14.432 15.141 1.00 2.05 N ATOM 221 CZ ARG A 27 5.820 -14.717 16.196 1.00 50.11 C ATOM 222 NH1 ARG A 27 6.932 -14.016 16.452 1.00 70.21 N ATOM 223 NH2 ARG A 27 5.478 -15.743 16.970 1.00 53.03 N ATOM 0 H ARG A 27 5.510 -12.112 9.546 1.00 22.41 H new ATOM 0 HA ARG A 27 6.745 -12.939 11.924 1.00 62.51 H new ATOM 0 HB2 ARG A 27 4.705 -11.676 11.913 1.00 4.14 H new ATOM 0 HB3 ARG A 27 3.879 -12.918 10.992 1.00 4.14 H new ATOM 0 HG2 ARG A 27 3.338 -12.972 13.402 1.00 23.02 H new ATOM 0 HG3 ARG A 27 4.012 -14.477 12.810 1.00 23.02 H new ATOM 0 HD2 ARG A 27 6.305 -13.539 13.694 1.00 61.32 H new ATOM 0 HD3 ARG A 27 5.320 -12.410 14.602 1.00 61.32 H new ATOM 0 HE ARG A 27 4.210 -14.988 15.022 1.00 2.05 H new ATOM 0 HH11 ARG A 27 7.206 -13.251 15.835 1.00 70.21 H new ATOM 0 HH12 ARG A 27 7.505 -14.247 17.264 1.00 70.21 H new ATOM 0 HH21 ARG A 27 4.647 -16.293 16.751 1.00 53.03 H new ATOM 0 HH22 ARG A 27 6.046 -15.980 17.783 1.00 53.03 H new ATOM 237 N LEU A 28 5.684 -15.308 9.960 1.00 21.52 N ATOM 238 CA LEU A 28 5.723 -16.757 9.762 1.00 2.43 C ATOM 239 C LEU A 28 7.124 -17.287 9.875 1.00 43.33 C ATOM 240 O LEU A 28 7.334 -18.346 10.425 1.00 2.03 O ATOM 241 CB LEU A 28 5.101 -17.169 8.446 1.00 41.15 C ATOM 242 CG LEU A 28 3.588 -17.164 8.401 1.00 53.31 C ATOM 243 CD1 LEU A 28 3.124 -17.348 6.998 1.00 32.14 C ATOM 244 CD2 LEU A 28 3.045 -18.290 9.239 1.00 3.15 C ATOM 0 H LEU A 28 5.380 -14.778 9.143 1.00 21.52 H new ATOM 0 HA LEU A 28 5.125 -17.199 10.559 1.00 2.43 H new ATOM 0 HB2 LEU A 28 5.471 -16.503 7.667 1.00 41.15 H new ATOM 0 HB3 LEU A 28 5.449 -18.172 8.199 1.00 41.15 H new ATOM 0 HG LEU A 28 3.231 -16.210 8.789 1.00 53.31 H new ATOM 0 HD11 LEU A 28 2.034 -17.344 6.972 1.00 32.14 H new ATOM 0 HD12 LEU A 28 3.505 -16.536 6.379 1.00 32.14 H new ATOM 0 HD13 LEU A 28 3.492 -18.300 6.615 1.00 32.14 H new ATOM 0 HD21 LEU A 28 1.956 -18.279 9.201 1.00 3.15 H new ATOM 0 HD22 LEU A 28 3.412 -19.241 8.853 1.00 3.15 H new ATOM 0 HD23 LEU A 28 3.373 -18.167 10.271 1.00 3.15 H new ATOM 256 N ILE A 29 8.065 -16.529 9.372 1.00 74.30 N ATOM 257 CA ILE A 29 9.477 -16.831 9.501 1.00 14.03 C ATOM 258 C ILE A 29 9.821 -17.033 10.989 1.00 41.02 C ATOM 259 O ILE A 29 10.367 -18.059 11.380 1.00 11.51 O ATOM 260 CB ILE A 29 10.289 -15.652 8.895 1.00 62.14 C ATOM 261 CG1 ILE A 29 10.241 -15.703 7.360 1.00 72.30 C ATOM 262 CG2 ILE A 29 11.704 -15.584 9.428 1.00 72.25 C ATOM 263 CD1 ILE A 29 10.872 -14.510 6.679 1.00 35.12 C ATOM 0 H ILE A 29 7.874 -15.672 8.853 1.00 74.30 H new ATOM 0 HA ILE A 29 9.727 -17.747 8.967 1.00 14.03 H new ATOM 0 HB ILE A 29 9.815 -14.724 9.214 1.00 62.14 H new ATOM 0 HG12 ILE A 29 10.745 -16.608 7.022 1.00 72.30 H new ATOM 0 HG13 ILE A 29 9.201 -15.780 7.043 1.00 72.30 H new ATOM 0 HG21 ILE A 29 12.225 -14.743 8.971 1.00 72.25 H new ATOM 0 HG22 ILE A 29 11.679 -15.452 10.510 1.00 72.25 H new ATOM 0 HG23 ILE A 29 12.228 -16.509 9.188 1.00 72.25 H new ATOM 0 HD11 ILE A 29 10.795 -14.626 5.598 1.00 35.12 H new ATOM 0 HD12 ILE A 29 10.354 -13.601 6.984 1.00 35.12 H new ATOM 0 HD13 ILE A 29 11.922 -14.442 6.963 1.00 35.12 H new ATOM 275 N GLN A 30 9.414 -16.084 11.798 1.00 14.24 N ATOM 276 CA GLN A 30 9.628 -16.127 13.237 1.00 31.44 C ATOM 277 C GLN A 30 8.801 -17.264 13.882 1.00 73.44 C ATOM 278 O GLN A 30 9.294 -18.035 14.689 1.00 14.25 O ATOM 279 CB GLN A 30 9.151 -14.821 13.840 1.00 60.13 C ATOM 280 CG GLN A 30 9.802 -13.556 13.319 1.00 52.13 C ATOM 281 CD GLN A 30 9.126 -12.324 13.897 1.00 55.13 C ATOM 282 OE1 GLN A 30 8.591 -12.358 15.026 1.00 61.05 O ATOM 283 NE2 GLN A 30 9.100 -11.267 13.159 1.00 44.12 N ATOM 0 H GLN A 30 8.920 -15.250 11.480 1.00 14.24 H new ATOM 0 HA GLN A 30 10.689 -16.293 13.422 1.00 31.44 H new ATOM 0 HB2 GLN A 30 8.076 -14.743 13.677 1.00 60.13 H new ATOM 0 HB3 GLN A 30 9.308 -14.866 14.918 1.00 60.13 H new ATOM 0 HG2 GLN A 30 10.860 -13.552 13.580 1.00 52.13 H new ATOM 0 HG3 GLN A 30 9.742 -13.532 12.231 1.00 52.13 H new ATOM 0 HE21 GLN A 30 9.547 -11.274 12.242 1.00 44.12 H new ATOM 0 HE22 GLN A 30 8.632 -10.424 13.492 1.00 44.12 H new ATOM 292 N GLU A 31 7.540 -17.323 13.491 1.00 35.22 N ATOM 293 CA GLU A 31 6.518 -18.229 14.026 1.00 5.23 C ATOM 294 C GLU A 31 6.895 -19.697 13.823 1.00 21.24 C ATOM 295 O GLU A 31 6.731 -20.519 14.723 1.00 71.30 O ATOM 296 CB GLU A 31 5.202 -17.943 13.291 1.00 60.34 C ATOM 297 CG GLU A 31 3.953 -18.569 13.875 1.00 33.03 C ATOM 298 CD GLU A 31 3.573 -17.985 15.212 1.00 24.03 C ATOM 299 OE1 GLU A 31 3.444 -16.740 15.319 1.00 43.01 O ATOM 300 OE2 GLU A 31 3.347 -18.743 16.163 1.00 50.43 O ATOM 0 H GLU A 31 7.176 -16.715 12.758 1.00 35.22 H new ATOM 0 HA GLU A 31 6.424 -18.058 15.098 1.00 5.23 H new ATOM 0 HB2 GLU A 31 5.058 -16.863 13.256 1.00 60.34 H new ATOM 0 HB3 GLU A 31 5.305 -18.284 12.261 1.00 60.34 H new ATOM 0 HG2 GLU A 31 3.126 -18.435 13.178 1.00 33.03 H new ATOM 0 HG3 GLU A 31 4.108 -19.642 13.984 1.00 33.03 H new ATOM 307 N LEU A 32 7.390 -20.006 12.639 1.00 64.10 N ATOM 308 CA LEU A 32 7.724 -21.370 12.267 1.00 42.12 C ATOM 309 C LEU A 32 9.164 -21.696 12.637 1.00 5.23 C ATOM 310 O LEU A 32 9.599 -22.835 12.482 1.00 20.13 O ATOM 311 CB LEU A 32 7.555 -21.557 10.755 1.00 61.41 C ATOM 312 CG LEU A 32 6.213 -21.140 10.131 1.00 22.11 C ATOM 313 CD1 LEU A 32 6.247 -21.373 8.646 1.00 12.22 C ATOM 314 CD2 LEU A 32 5.045 -21.875 10.745 1.00 65.04 C ATOM 0 H LEU A 32 7.572 -19.319 11.907 1.00 64.10 H new ATOM 0 HA LEU A 32 7.053 -22.038 12.807 1.00 42.12 H new ATOM 0 HB2 LEU A 32 8.346 -20.996 10.257 1.00 61.41 H new ATOM 0 HB3 LEU A 32 7.719 -22.610 10.526 1.00 61.41 H new ATOM 0 HG LEU A 32 6.071 -20.079 10.335 1.00 22.11 H new ATOM 0 HD11 LEU A 32 5.294 -21.076 8.209 1.00 12.22 H new ATOM 0 HD12 LEU A 32 7.049 -20.782 8.203 1.00 12.22 H new ATOM 0 HD13 LEU A 32 6.423 -22.430 8.448 1.00 12.22 H new ATOM 0 HD21 LEU A 32 4.119 -21.547 10.272 1.00 65.04 H new ATOM 0 HD22 LEU A 32 5.170 -22.947 10.594 1.00 65.04 H new ATOM 0 HD23 LEU A 32 5.002 -21.662 11.813 1.00 65.04 H new ATOM 326 N ASN A 33 9.894 -20.676 13.127 1.00 25.24 N ATOM 327 CA ASN A 33 11.329 -20.787 13.473 1.00 54.22 C ATOM 328 C ASN A 33 12.105 -21.133 12.185 1.00 60.51 C ATOM 329 O ASN A 33 12.971 -22.017 12.138 1.00 75.21 O ATOM 330 CB ASN A 33 11.542 -21.855 14.586 1.00 3.31 C ATOM 331 CG ASN A 33 12.936 -21.827 15.229 1.00 45.11 C ATOM 332 OD1 ASN A 33 13.160 -21.149 16.224 1.00 55.20 O ATOM 333 ND2 ASN A 33 13.869 -22.554 14.674 1.00 21.13 N ATOM 0 H ASN A 33 9.506 -19.748 13.296 1.00 25.24 H new ATOM 0 HA ASN A 33 11.701 -19.844 13.873 1.00 54.22 H new ATOM 0 HB2 ASN A 33 10.793 -21.707 15.364 1.00 3.31 H new ATOM 0 HB3 ASN A 33 11.370 -22.844 14.162 1.00 3.31 H new ATOM 0 HD21 ASN A 33 14.809 -22.565 15.069 1.00 21.13 H new ATOM 0 HD22 ASN A 33 13.657 -23.110 13.846 1.00 21.13 H new ATOM 340 N LEU A 34 11.784 -20.404 11.145 1.00 13.42 N ATOM 341 CA LEU A 34 12.339 -20.625 9.841 1.00 22.31 C ATOM 342 C LEU A 34 13.118 -19.423 9.358 1.00 42.21 C ATOM 343 O LEU A 34 13.232 -18.422 10.049 1.00 15.53 O ATOM 344 CB LEU A 34 11.234 -20.980 8.834 1.00 4.15 C ATOM 345 CG LEU A 34 10.575 -22.354 8.991 1.00 10.52 C ATOM 346 CD1 LEU A 34 9.648 -22.633 7.827 1.00 52.01 C ATOM 347 CD2 LEU A 34 11.615 -23.458 9.132 1.00 25.24 C ATOM 0 H LEU A 34 11.120 -19.631 11.185 1.00 13.42 H new ATOM 0 HA LEU A 34 13.030 -21.465 9.918 1.00 22.31 H new ATOM 0 HB2 LEU A 34 10.456 -20.220 8.901 1.00 4.15 H new ATOM 0 HB3 LEU A 34 11.655 -20.917 7.831 1.00 4.15 H new ATOM 0 HG LEU A 34 9.986 -22.340 9.908 1.00 10.52 H new ATOM 0 HD11 LEU A 34 9.188 -23.613 7.955 1.00 52.01 H new ATOM 0 HD12 LEU A 34 8.871 -21.870 7.790 1.00 52.01 H new ATOM 0 HD13 LEU A 34 10.217 -22.617 6.897 1.00 52.01 H new ATOM 0 HD21 LEU A 34 11.113 -24.419 9.241 1.00 25.24 H new ATOM 0 HD22 LEU A 34 12.247 -23.478 8.244 1.00 25.24 H new ATOM 0 HD23 LEU A 34 12.230 -23.268 10.011 1.00 25.24 H new ATOM 359 N THR A 35 13.662 -19.538 8.177 1.00 31.45 N ATOM 360 CA THR A 35 14.406 -18.485 7.569 1.00 54.04 C ATOM 361 C THR A 35 13.660 -18.033 6.306 1.00 52.20 C ATOM 362 O THR A 35 12.826 -18.793 5.786 1.00 2.12 O ATOM 363 CB THR A 35 15.834 -18.979 7.215 1.00 14.44 C ATOM 364 OG1 THR A 35 15.746 -20.157 6.406 1.00 72.34 O ATOM 365 CG2 THR A 35 16.621 -19.303 8.477 1.00 64.34 C ATOM 0 H THR A 35 13.596 -20.381 7.607 1.00 31.45 H new ATOM 0 HA THR A 35 14.503 -17.645 8.257 1.00 54.04 H new ATOM 0 HB THR A 35 16.347 -18.186 6.671 1.00 14.44 H new ATOM 0 HG1 THR A 35 16.648 -20.468 6.181 1.00 72.34 H new ATOM 0 HG21 THR A 35 17.619 -19.647 8.205 1.00 64.34 H new ATOM 0 HG22 THR A 35 16.702 -18.409 9.095 1.00 64.34 H new ATOM 0 HG23 THR A 35 16.107 -20.085 9.036 1.00 64.34 H new ATOM 373 N PRO A 36 13.920 -16.804 5.800 1.00 53.20 N ATOM 374 CA PRO A 36 13.245 -16.276 4.598 1.00 52.20 C ATOM 375 C PRO A 36 13.378 -17.196 3.376 1.00 44.54 C ATOM 376 O PRO A 36 12.438 -17.370 2.621 1.00 40.12 O ATOM 377 CB PRO A 36 13.967 -14.950 4.329 1.00 63.15 C ATOM 378 CG PRO A 36 14.544 -14.547 5.640 1.00 0.03 C ATOM 379 CD PRO A 36 14.863 -15.817 6.375 1.00 45.24 C ATOM 0 HA PRO A 36 12.172 -16.178 4.764 1.00 52.20 H new ATOM 0 HB2 PRO A 36 14.746 -15.071 3.577 1.00 63.15 H new ATOM 0 HB3 PRO A 36 13.276 -14.195 3.954 1.00 63.15 H new ATOM 0 HG2 PRO A 36 15.441 -13.944 5.500 1.00 0.03 H new ATOM 0 HG3 PRO A 36 13.837 -13.939 6.205 1.00 0.03 H new ATOM 0 HD2 PRO A 36 15.899 -16.118 6.222 1.00 45.24 H new ATOM 0 HD3 PRO A 36 14.719 -15.705 7.450 1.00 45.24 H new ATOM 387 N GLN A 37 14.546 -17.793 3.219 1.00 12.24 N ATOM 388 CA GLN A 37 14.837 -18.649 2.077 1.00 63.34 C ATOM 389 C GLN A 37 14.191 -20.017 2.227 1.00 63.05 C ATOM 390 O GLN A 37 13.973 -20.715 1.245 1.00 44.20 O ATOM 391 CB GLN A 37 16.360 -18.817 1.848 1.00 11.04 C ATOM 392 CG GLN A 37 17.165 -17.517 1.675 1.00 65.03 C ATOM 393 CD GLN A 37 17.606 -16.858 2.991 1.00 21.15 C ATOM 394 OE1 GLN A 37 16.963 -16.973 4.031 1.00 22.13 O ATOM 395 NE2 GLN A 37 18.711 -16.161 2.944 1.00 24.03 N ATOM 0 H GLN A 37 15.320 -17.700 3.877 1.00 12.24 H new ATOM 0 HA GLN A 37 14.412 -18.150 1.206 1.00 63.34 H new ATOM 0 HB2 GLN A 37 16.775 -19.368 2.692 1.00 11.04 H new ATOM 0 HB3 GLN A 37 16.508 -19.433 0.961 1.00 11.04 H new ATOM 0 HG2 GLN A 37 18.050 -17.730 1.076 1.00 65.03 H new ATOM 0 HG3 GLN A 37 16.563 -16.805 1.111 1.00 65.03 H new ATOM 0 HE21 GLN A 37 19.227 -16.081 2.068 1.00 24.03 H new ATOM 0 HE22 GLN A 37 19.058 -15.697 3.784 1.00 24.03 H new ATOM 404 N GLN A 38 13.893 -20.392 3.450 1.00 20.01 N ATOM 405 CA GLN A 38 13.289 -21.654 3.718 1.00 32.43 C ATOM 406 C GLN A 38 11.789 -21.546 3.486 1.00 32.22 C ATOM 407 O GLN A 38 11.126 -22.510 3.075 1.00 32.23 O ATOM 408 CB GLN A 38 13.591 -22.042 5.158 1.00 51.25 C ATOM 409 CG GLN A 38 13.012 -23.356 5.593 1.00 5.13 C ATOM 410 CD GLN A 38 13.544 -24.539 4.814 1.00 71.33 C ATOM 411 OE1 GLN A 38 14.672 -24.541 4.355 1.00 10.32 O ATOM 412 NE2 GLN A 38 12.734 -25.551 4.667 1.00 53.44 N ATOM 0 H GLN A 38 14.067 -19.823 4.279 1.00 20.01 H new ATOM 0 HA GLN A 38 13.687 -22.422 3.055 1.00 32.43 H new ATOM 0 HB2 GLN A 38 14.672 -22.076 5.291 1.00 51.25 H new ATOM 0 HB3 GLN A 38 13.214 -21.260 5.817 1.00 51.25 H new ATOM 0 HG2 GLN A 38 13.223 -23.504 6.652 1.00 5.13 H new ATOM 0 HG3 GLN A 38 11.928 -23.319 5.486 1.00 5.13 H new ATOM 0 HE21 GLN A 38 11.796 -25.515 5.065 1.00 53.44 H new ATOM 0 HE22 GLN A 38 13.039 -26.378 4.154 1.00 53.44 H new ATOM 421 N LEU A 39 11.257 -20.368 3.716 1.00 44.35 N ATOM 422 CA LEU A 39 9.858 -20.156 3.542 1.00 44.21 C ATOM 423 C LEU A 39 9.615 -19.624 2.130 1.00 42.30 C ATOM 424 O LEU A 39 9.419 -18.419 1.909 1.00 60.10 O ATOM 425 CB LEU A 39 9.297 -19.213 4.625 1.00 75.22 C ATOM 426 CG LEU A 39 7.827 -19.405 5.039 1.00 11.32 C ATOM 427 CD1 LEU A 39 7.459 -18.428 6.126 1.00 55.35 C ATOM 428 CD2 LEU A 39 6.881 -19.263 3.871 1.00 24.23 C ATOM 0 H LEU A 39 11.780 -19.548 4.024 1.00 44.35 H new ATOM 0 HA LEU A 39 9.325 -21.100 3.658 1.00 44.21 H new ATOM 0 HB2 LEU A 39 9.915 -19.319 5.517 1.00 75.22 H new ATOM 0 HB3 LEU A 39 9.417 -18.188 4.274 1.00 75.22 H new ATOM 0 HG LEU A 39 7.728 -20.423 5.416 1.00 11.32 H new ATOM 0 HD11 LEU A 39 6.417 -18.575 6.409 1.00 55.35 H new ATOM 0 HD12 LEU A 39 8.098 -18.592 6.994 1.00 55.35 H new ATOM 0 HD13 LEU A 39 7.596 -17.410 5.762 1.00 55.35 H new ATOM 0 HD21 LEU A 39 5.856 -19.407 4.213 1.00 24.23 H new ATOM 0 HD22 LEU A 39 6.983 -18.267 3.439 1.00 24.23 H new ATOM 0 HD23 LEU A 39 7.120 -20.012 3.116 1.00 24.23 H new ATOM 440 N HIS A 40 9.670 -20.532 1.199 1.00 75.34 N ATOM 441 CA HIS A 40 9.449 -20.257 -0.204 1.00 65.35 C ATOM 442 C HIS A 40 7.966 -20.016 -0.457 1.00 12.21 C ATOM 443 O HIS A 40 7.115 -20.598 0.226 1.00 11.01 O ATOM 444 CB HIS A 40 9.971 -21.458 -1.031 1.00 70.12 C ATOM 445 CG HIS A 40 9.546 -21.511 -2.479 1.00 13.32 C ATOM 446 ND1 HIS A 40 8.649 -22.438 -2.962 1.00 74.35 N ATOM 447 CD2 HIS A 40 9.902 -20.749 -3.539 1.00 22.11 C ATOM 448 CE1 HIS A 40 8.487 -22.220 -4.267 1.00 23.12 C ATOM 449 NE2 HIS A 40 9.223 -21.203 -4.670 1.00 43.40 N ATOM 0 H HIS A 40 9.875 -21.512 1.393 1.00 75.34 H new ATOM 0 HA HIS A 40 9.987 -19.358 -0.504 1.00 65.35 H new ATOM 0 HB2 HIS A 40 11.060 -21.450 -0.995 1.00 70.12 H new ATOM 0 HB3 HIS A 40 9.642 -22.376 -0.545 1.00 70.12 H new ATOM 0 HD2 HIS A 40 10.598 -19.924 -3.514 1.00 22.11 H new ATOM 0 HE1 HIS A 40 7.839 -22.799 -4.909 1.00 23.12 H new ATOM 0 HE2 HIS A 40 9.284 -20.825 -5.616 1.00 43.40 H new ATOM 457 N GLU A 41 7.697 -19.164 -1.449 1.00 15.33 N ATOM 458 CA GLU A 41 6.366 -18.699 -1.839 1.00 24.33 C ATOM 459 C GLU A 41 5.310 -19.818 -1.803 1.00 71.24 C ATOM 460 O GLU A 41 4.431 -19.818 -0.963 1.00 42.21 O ATOM 461 CB GLU A 41 6.397 -18.106 -3.264 1.00 65.04 C ATOM 462 CG GLU A 41 7.547 -17.144 -3.563 1.00 50.44 C ATOM 463 CD GLU A 41 7.684 -16.030 -2.560 1.00 2.24 C ATOM 464 OE1 GLU A 41 6.721 -15.248 -2.371 1.00 11.44 O ATOM 465 OE2 GLU A 41 8.758 -15.953 -1.913 1.00 10.24 O ATOM 0 H GLU A 41 8.435 -18.762 -2.027 1.00 15.33 H new ATOM 0 HA GLU A 41 6.085 -17.938 -1.110 1.00 24.33 H new ATOM 0 HB2 GLU A 41 6.442 -18.929 -3.978 1.00 65.04 H new ATOM 0 HB3 GLU A 41 5.457 -17.583 -3.439 1.00 65.04 H new ATOM 0 HG2 GLU A 41 8.480 -17.707 -3.596 1.00 50.44 H new ATOM 0 HG3 GLU A 41 7.399 -16.713 -4.553 1.00 50.44 H new ATOM 472 N GLU A 42 5.437 -20.792 -2.670 1.00 51.21 N ATOM 473 CA GLU A 42 4.402 -21.810 -2.789 1.00 43.14 C ATOM 474 C GLU A 42 4.769 -23.080 -1.989 1.00 5.52 C ATOM 475 O GLU A 42 4.330 -24.181 -2.307 1.00 10.04 O ATOM 476 CB GLU A 42 4.160 -22.132 -4.273 1.00 53.24 C ATOM 477 CG GLU A 42 2.744 -22.634 -4.579 1.00 2.32 C ATOM 478 CD GLU A 42 1.685 -21.554 -4.367 1.00 64.34 C ATOM 479 OE1 GLU A 42 1.318 -21.268 -3.194 1.00 4.45 O ATOM 480 OE2 GLU A 42 1.241 -20.953 -5.353 1.00 23.42 O ATOM 0 H GLU A 42 6.232 -20.908 -3.299 1.00 51.21 H new ATOM 0 HA GLU A 42 3.478 -21.421 -2.362 1.00 43.14 H new ATOM 0 HB2 GLU A 42 4.353 -21.237 -4.865 1.00 53.24 H new ATOM 0 HB3 GLU A 42 4.879 -22.886 -4.592 1.00 53.24 H new ATOM 0 HG2 GLU A 42 2.701 -22.984 -5.610 1.00 2.32 H new ATOM 0 HG3 GLU A 42 2.519 -23.490 -3.942 1.00 2.32 H new ATOM 487 N SER A 43 5.572 -22.935 -0.958 1.00 64.30 N ATOM 488 CA SER A 43 5.856 -24.061 -0.106 1.00 51.42 C ATOM 489 C SER A 43 4.760 -24.233 0.953 1.00 51.31 C ATOM 490 O SER A 43 4.218 -23.248 1.472 1.00 22.42 O ATOM 491 CB SER A 43 7.232 -23.931 0.521 1.00 42.42 C ATOM 492 OG SER A 43 8.231 -23.946 -0.493 1.00 70.41 O ATOM 0 H SER A 43 6.031 -22.063 -0.695 1.00 64.30 H new ATOM 0 HA SER A 43 5.862 -24.963 -0.718 1.00 51.42 H new ATOM 0 HB2 SER A 43 7.295 -23.004 1.092 1.00 42.42 H new ATOM 0 HB3 SER A 43 7.401 -24.749 1.222 1.00 42.42 H new ATOM 0 HG SER A 43 8.031 -23.255 -1.159 1.00 70.41 H new ATOM 498 N ASN A 44 4.418 -25.489 1.224 1.00 1.11 N ATOM 499 CA ASN A 44 3.373 -25.846 2.185 1.00 54.43 C ATOM 500 C ASN A 44 3.800 -25.441 3.591 1.00 75.41 C ATOM 501 O ASN A 44 4.842 -25.871 4.065 1.00 21.34 O ATOM 502 CB ASN A 44 3.116 -27.369 2.139 1.00 42.44 C ATOM 503 CG ASN A 44 1.906 -27.841 2.971 1.00 51.11 C ATOM 504 OD1 ASN A 44 1.581 -27.292 4.015 1.00 11.35 O ATOM 505 ND2 ASN A 44 1.233 -28.863 2.500 1.00 64.32 N ATOM 0 H ASN A 44 4.860 -26.295 0.781 1.00 1.11 H new ATOM 0 HA ASN A 44 2.456 -25.318 1.923 1.00 54.43 H new ATOM 0 HB2 ASN A 44 2.966 -27.668 1.102 1.00 42.44 H new ATOM 0 HB3 ASN A 44 4.008 -27.886 2.494 1.00 42.44 H new ATOM 0 HD21 ASN A 44 0.421 -29.216 3.006 1.00 64.32 H new ATOM 0 HD22 ASN A 44 1.522 -29.305 1.628 1.00 64.32 H new ATOM 512 N LEU A 45 2.974 -24.654 4.254 1.00 41.34 N ATOM 513 CA LEU A 45 3.296 -24.147 5.580 1.00 43.23 C ATOM 514 C LEU A 45 3.127 -25.195 6.638 1.00 53.55 C ATOM 515 O LEU A 45 3.913 -25.269 7.564 1.00 53.14 O ATOM 516 CB LEU A 45 2.437 -22.964 5.944 1.00 10.32 C ATOM 517 CG LEU A 45 2.546 -21.754 5.059 1.00 3.12 C ATOM 518 CD1 LEU A 45 1.700 -20.645 5.636 1.00 75.45 C ATOM 519 CD2 LEU A 45 3.995 -21.313 4.925 1.00 63.43 C ATOM 0 H LEU A 45 2.069 -24.349 3.896 1.00 41.34 H new ATOM 0 HA LEU A 45 4.342 -23.843 5.538 1.00 43.23 H new ATOM 0 HB2 LEU A 45 1.396 -23.288 5.951 1.00 10.32 H new ATOM 0 HB3 LEU A 45 2.684 -22.664 6.962 1.00 10.32 H new ATOM 0 HG LEU A 45 2.184 -22.002 4.061 1.00 3.12 H new ATOM 0 HD11 LEU A 45 1.773 -19.763 5.000 1.00 75.45 H new ATOM 0 HD12 LEU A 45 0.661 -20.970 5.688 1.00 75.45 H new ATOM 0 HD13 LEU A 45 2.054 -20.401 6.637 1.00 75.45 H new ATOM 0 HD21 LEU A 45 4.050 -20.436 4.280 1.00 63.43 H new ATOM 0 HD22 LEU A 45 4.392 -21.065 5.909 1.00 63.43 H new ATOM 0 HD23 LEU A 45 4.582 -22.121 4.489 1.00 63.43 H new ATOM 531 N ILE A 46 2.105 -26.007 6.503 1.00 53.33 N ATOM 532 CA ILE A 46 1.830 -27.060 7.490 1.00 3.53 C ATOM 533 C ILE A 46 2.973 -28.063 7.479 1.00 11.23 C ATOM 534 O ILE A 46 3.467 -28.499 8.511 1.00 51.30 O ATOM 535 CB ILE A 46 0.463 -27.760 7.227 1.00 21.01 C ATOM 536 CG1 ILE A 46 -0.671 -26.715 7.307 1.00 23.22 C ATOM 537 CG2 ILE A 46 0.226 -28.903 8.223 1.00 33.14 C ATOM 538 CD1 ILE A 46 -2.069 -27.281 7.115 1.00 24.35 C ATOM 0 H ILE A 46 1.444 -25.970 5.727 1.00 53.33 H new ATOM 0 HA ILE A 46 1.758 -26.603 8.477 1.00 3.53 H new ATOM 0 HB ILE A 46 0.476 -28.197 6.229 1.00 21.01 H new ATOM 0 HG12 ILE A 46 -0.624 -26.221 8.277 1.00 23.22 H new ATOM 0 HG13 ILE A 46 -0.496 -25.950 6.551 1.00 23.22 H new ATOM 0 HG21 ILE A 46 -0.735 -29.373 8.015 1.00 33.14 H new ATOM 0 HG22 ILE A 46 1.021 -29.643 8.124 1.00 33.14 H new ATOM 0 HG23 ILE A 46 0.224 -28.506 9.238 1.00 33.14 H new ATOM 0 HD11 ILE A 46 -2.800 -26.476 7.187 1.00 24.35 H new ATOM 0 HD12 ILE A 46 -2.140 -27.749 6.133 1.00 24.35 H new ATOM 0 HD13 ILE A 46 -2.270 -28.024 7.887 1.00 24.35 H new ATOM 550 N GLN A 47 3.448 -28.314 6.292 1.00 44.34 N ATOM 551 CA GLN A 47 4.586 -29.179 6.055 1.00 60.51 C ATOM 552 C GLN A 47 5.906 -28.502 6.452 1.00 52.20 C ATOM 553 O GLN A 47 6.954 -29.135 6.461 1.00 70.03 O ATOM 554 CB GLN A 47 4.596 -29.612 4.589 1.00 11.10 C ATOM 555 CG GLN A 47 3.606 -30.717 4.250 1.00 55.20 C ATOM 556 CD GLN A 47 3.830 -32.004 5.041 1.00 21.43 C ATOM 557 OE1 GLN A 47 5.063 -32.287 5.407 1.00 34.24 O flip ATOM 558 NE2 GLN A 47 2.898 -32.735 5.309 1.00 41.54 N flip ATOM 0 H GLN A 47 3.052 -27.918 5.439 1.00 44.34 H new ATOM 0 HA GLN A 47 4.491 -30.064 6.685 1.00 60.51 H new ATOM 0 HB2 GLN A 47 4.380 -28.744 3.966 1.00 11.10 H new ATOM 0 HB3 GLN A 47 5.600 -29.949 4.330 1.00 11.10 H new ATOM 0 HG2 GLN A 47 2.594 -30.357 4.438 1.00 55.20 H new ATOM 0 HG3 GLN A 47 3.673 -30.939 3.185 1.00 55.20 H new ATOM 0 HE21 GLN A 47 1.954 -32.488 5.011 1.00 41.54 H new ATOM 0 HE22 GLN A 47 3.059 -33.596 5.832 1.00 41.54 H new ATOM 567 N ALA A 48 5.837 -27.213 6.747 1.00 52.42 N ATOM 568 CA ALA A 48 6.999 -26.439 7.140 1.00 52.25 C ATOM 569 C ALA A 48 6.980 -26.117 8.642 1.00 32.33 C ATOM 570 O ALA A 48 7.913 -25.509 9.155 1.00 11.04 O ATOM 571 CB ALA A 48 7.084 -25.154 6.319 1.00 4.34 C ATOM 0 H ALA A 48 4.971 -26.675 6.720 1.00 52.42 H new ATOM 0 HA ALA A 48 7.884 -27.043 6.942 1.00 52.25 H new ATOM 0 HB1 ALA A 48 7.961 -24.584 6.625 1.00 4.34 H new ATOM 0 HB2 ALA A 48 7.164 -25.403 5.261 1.00 4.34 H new ATOM 0 HB3 ALA A 48 6.187 -24.557 6.484 1.00 4.34 H new ATOM 577 N GLY A 49 5.916 -26.521 9.341 1.00 61.23 N ATOM 578 CA GLY A 49 5.866 -26.285 10.779 1.00 22.22 C ATOM 579 C GLY A 49 4.624 -25.537 11.264 1.00 72.01 C ATOM 580 O GLY A 49 4.502 -25.244 12.454 1.00 41.30 O ATOM 0 H GLY A 49 5.104 -26.997 8.948 1.00 61.23 H new ATOM 0 HA2 GLY A 49 5.918 -27.245 11.292 1.00 22.22 H new ATOM 0 HA3 GLY A 49 6.751 -25.719 11.071 1.00 22.22 H new ATOM 584 N LEU A 50 3.721 -25.209 10.367 1.00 2.10 N ATOM 585 CA LEU A 50 2.488 -24.521 10.749 1.00 20.33 C ATOM 586 C LEU A 50 1.447 -25.544 11.125 1.00 4.54 C ATOM 587 O LEU A 50 1.104 -26.405 10.330 1.00 54.01 O ATOM 588 CB LEU A 50 1.960 -23.671 9.585 1.00 53.31 C ATOM 589 CG LEU A 50 0.807 -22.720 9.905 1.00 32.41 C ATOM 590 CD1 LEU A 50 1.296 -21.556 10.734 1.00 43.30 C ATOM 591 CD2 LEU A 50 0.140 -22.228 8.642 1.00 13.13 C ATOM 0 H LEU A 50 3.808 -25.403 9.369 1.00 2.10 H new ATOM 0 HA LEU A 50 2.699 -23.867 11.595 1.00 20.33 H new ATOM 0 HB2 LEU A 50 2.788 -23.083 9.189 1.00 53.31 H new ATOM 0 HB3 LEU A 50 1.637 -24.343 8.790 1.00 53.31 H new ATOM 0 HG LEU A 50 0.066 -23.272 10.483 1.00 32.41 H new ATOM 0 HD11 LEU A 50 0.462 -20.889 10.952 1.00 43.30 H new ATOM 0 HD12 LEU A 50 1.719 -21.927 11.668 1.00 43.30 H new ATOM 0 HD13 LEU A 50 2.061 -21.011 10.181 1.00 43.30 H new ATOM 0 HD21 LEU A 50 -0.676 -21.554 8.901 1.00 13.13 H new ATOM 0 HD22 LEU A 50 0.868 -21.698 8.029 1.00 13.13 H new ATOM 0 HD23 LEU A 50 -0.254 -23.077 8.084 1.00 13.13 H new ATOM 603 N ASP A 51 0.975 -25.458 12.328 1.00 71.41 N ATOM 604 CA ASP A 51 -0.048 -26.329 12.815 1.00 4.33 C ATOM 605 C ASP A 51 -1.421 -25.760 12.459 1.00 64.44 C ATOM 606 O ASP A 51 -1.531 -24.743 11.766 1.00 55.43 O ATOM 607 CB ASP A 51 0.099 -26.492 14.329 1.00 63.20 C ATOM 608 CG ASP A 51 0.130 -25.162 15.022 1.00 33.45 C ATOM 609 OD1 ASP A 51 1.225 -24.574 15.125 1.00 63.01 O ATOM 610 OD2 ASP A 51 -0.920 -24.666 15.411 1.00 65.42 O ATOM 0 H ASP A 51 1.294 -24.770 13.010 1.00 71.41 H new ATOM 0 HA ASP A 51 0.049 -27.310 12.349 1.00 4.33 H new ATOM 0 HB2 ASP A 51 -0.730 -27.086 14.715 1.00 63.20 H new ATOM 0 HB3 ASP A 51 1.014 -27.041 14.550 1.00 63.20 H new ATOM 667 N ILE A 53 -3.588 -24.708 14.605 1.00 3.15 N ATOM 668 CA ILE A 53 -3.974 -23.748 15.572 1.00 43.34 C ATOM 669 C ILE A 53 -3.420 -22.417 15.141 1.00 24.14 C ATOM 670 O ILE A 53 -4.102 -21.389 15.203 1.00 13.14 O ATOM 671 CB ILE A 53 -3.519 -24.164 16.981 1.00 22.34 C ATOM 672 CG1 ILE A 53 -4.216 -25.495 17.364 1.00 35.34 C ATOM 673 CG2 ILE A 53 -3.806 -23.063 18.012 1.00 54.32 C ATOM 674 CD1 ILE A 53 -5.742 -25.445 17.352 1.00 41.42 C ATOM 0 HA ILE A 53 -5.060 -23.674 15.634 1.00 43.34 H new ATOM 0 HB ILE A 53 -2.439 -24.314 16.978 1.00 22.34 H new ATOM 0 HG12 ILE A 53 -3.887 -26.273 16.675 1.00 35.34 H new ATOM 0 HG13 ILE A 53 -3.884 -25.789 18.360 1.00 35.34 H new ATOM 0 HG21 ILE A 53 -3.472 -23.390 18.997 1.00 54.32 H new ATOM 0 HG22 ILE A 53 -3.273 -22.154 17.732 1.00 54.32 H new ATOM 0 HG23 ILE A 53 -4.877 -22.862 18.041 1.00 54.32 H new ATOM 0 HD11 ILE A 53 -6.140 -26.420 17.632 1.00 41.42 H new ATOM 0 HD12 ILE A 53 -6.087 -24.694 18.063 1.00 41.42 H new ATOM 0 HD13 ILE A 53 -6.090 -25.185 16.352 1.00 41.42 H new ATOM 686 N ARG A 54 -2.196 -22.442 14.643 1.00 55.00 N ATOM 687 CA ARG A 54 -1.606 -21.297 14.051 1.00 14.05 C ATOM 688 C ARG A 54 -2.310 -20.923 12.767 1.00 53.32 C ATOM 689 O ARG A 54 -2.552 -19.754 12.526 1.00 32.32 O ATOM 690 CB ARG A 54 -0.176 -21.524 13.790 1.00 74.44 C ATOM 691 CG ARG A 54 0.675 -21.448 15.003 1.00 40.22 C ATOM 692 CD ARG A 54 2.065 -21.590 14.563 1.00 1.31 C ATOM 693 NE ARG A 54 3.068 -21.392 15.611 1.00 63.44 N ATOM 694 CZ ARG A 54 3.878 -22.353 16.056 1.00 51.13 C ATOM 695 NH1 ARG A 54 3.530 -23.638 15.934 1.00 52.25 N ATOM 696 NH2 ARG A 54 4.994 -22.024 16.700 1.00 14.32 N ATOM 0 H ARG A 54 -1.598 -23.268 14.647 1.00 55.00 H new ATOM 0 HA ARG A 54 -1.710 -20.471 14.755 1.00 14.05 H new ATOM 0 HB2 ARG A 54 -0.051 -22.505 13.331 1.00 74.44 H new ATOM 0 HB3 ARG A 54 0.173 -20.787 13.066 1.00 74.44 H new ATOM 0 HG2 ARG A 54 0.529 -20.498 15.517 1.00 40.22 H new ATOM 0 HG3 ARG A 54 0.412 -22.236 15.708 1.00 40.22 H new ATOM 0 HD2 ARG A 54 2.196 -22.585 14.139 1.00 1.31 H new ATOM 0 HD3 ARG A 54 2.252 -20.875 13.762 1.00 1.31 H new ATOM 0 HE ARG A 54 3.152 -20.464 16.025 1.00 63.44 H new ATOM 0 HH11 ARG A 54 2.642 -23.887 15.499 1.00 52.25 H new ATOM 0 HH12 ARG A 54 4.153 -24.370 16.276 1.00 52.25 H new ATOM 0 HH21 ARG A 54 5.225 -21.042 16.851 1.00 14.32 H new ATOM 0 HH22 ARG A 54 5.619 -22.754 17.043 1.00 14.32 H new ATOM 710 N LEU A 55 -2.656 -21.931 11.962 1.00 1.45 N ATOM 711 CA LEU A 55 -3.384 -21.741 10.688 1.00 32.23 C ATOM 712 C LEU A 55 -4.676 -20.976 10.966 1.00 25.33 C ATOM 713 O LEU A 55 -4.918 -19.911 10.388 1.00 21.12 O ATOM 714 CB LEU A 55 -3.718 -23.140 10.096 1.00 54.30 C ATOM 715 CG LEU A 55 -4.284 -23.279 8.645 1.00 14.12 C ATOM 716 CD1 LEU A 55 -5.504 -22.443 8.350 1.00 63.24 C ATOM 717 CD2 LEU A 55 -3.240 -23.101 7.605 1.00 21.04 C ATOM 0 H LEU A 55 -2.442 -22.907 12.169 1.00 1.45 H new ATOM 0 HA LEU A 55 -2.776 -21.178 9.980 1.00 32.23 H new ATOM 0 HB2 LEU A 55 -2.805 -23.734 10.142 1.00 54.30 H new ATOM 0 HB3 LEU A 55 -4.438 -23.609 10.767 1.00 54.30 H new ATOM 0 HG LEU A 55 -4.631 -24.311 8.602 1.00 14.12 H new ATOM 0 HD11 LEU A 55 -5.819 -22.610 7.320 1.00 63.24 H new ATOM 0 HD12 LEU A 55 -6.311 -22.725 9.026 1.00 63.24 H new ATOM 0 HD13 LEU A 55 -5.265 -21.389 8.490 1.00 63.24 H new ATOM 0 HD21 LEU A 55 -3.688 -23.208 6.617 1.00 21.04 H new ATOM 0 HD22 LEU A 55 -2.799 -22.108 7.698 1.00 21.04 H new ATOM 0 HD23 LEU A 55 -2.465 -23.856 7.735 1.00 21.04 H new ATOM 729 N MET A 56 -5.499 -21.519 11.849 1.00 23.14 N ATOM 730 CA MET A 56 -6.763 -20.895 12.186 1.00 33.02 C ATOM 731 C MET A 56 -6.540 -19.534 12.798 1.00 21.32 C ATOM 732 O MET A 56 -7.277 -18.606 12.507 1.00 14.23 O ATOM 733 CB MET A 56 -7.606 -21.809 13.085 1.00 35.11 C ATOM 734 CG MET A 56 -9.011 -21.286 13.480 1.00 5.44 C ATOM 735 SD MET A 56 -9.026 -19.978 14.717 1.00 12.11 S ATOM 736 CE MET A 56 -7.956 -20.718 15.916 1.00 2.53 C ATOM 0 H MET A 56 -5.312 -22.391 12.344 1.00 23.14 H new ATOM 0 HA MET A 56 -7.332 -20.745 11.268 1.00 33.02 H new ATOM 0 HB2 MET A 56 -7.728 -22.767 12.579 1.00 35.11 H new ATOM 0 HB3 MET A 56 -7.044 -22.001 13.999 1.00 35.11 H new ATOM 0 HG2 MET A 56 -9.510 -20.920 12.583 1.00 5.44 H new ATOM 0 HG3 MET A 56 -9.600 -22.123 13.854 1.00 5.44 H new ATOM 0 HE1 MET A 56 -8.188 -20.322 16.905 1.00 2.53 H new ATOM 0 HE2 MET A 56 -8.101 -21.798 15.915 1.00 2.53 H new ATOM 0 HE3 MET A 56 -6.919 -20.490 15.668 1.00 2.53 H new ATOM 746 N ARG A 57 -5.488 -19.409 13.607 1.00 23.12 N ATOM 747 CA ARG A 57 -5.143 -18.154 14.224 1.00 13.25 C ATOM 748 C ARG A 57 -4.888 -17.089 13.142 1.00 3.01 C ATOM 749 O ARG A 57 -5.233 -15.916 13.296 1.00 11.23 O ATOM 750 CB ARG A 57 -3.891 -18.302 14.991 1.00 41.03 C ATOM 751 CG ARG A 57 -3.691 -17.200 15.981 1.00 63.21 C ATOM 752 CD ARG A 57 -2.354 -17.324 16.584 1.00 1.42 C ATOM 753 NE ARG A 57 -1.301 -16.861 15.655 1.00 63.45 N ATOM 754 CZ ARG A 57 0.027 -17.074 15.762 1.00 22.34 C ATOM 755 NH1 ARG A 57 0.526 -17.936 16.661 1.00 61.25 N ATOM 756 NH2 ARG A 57 0.848 -16.445 14.935 1.00 43.14 N ATOM 0 H ARG A 57 -4.861 -20.178 13.844 1.00 23.12 H new ATOM 0 HA ARG A 57 -5.966 -17.857 14.874 1.00 13.25 H new ATOM 0 HB2 ARG A 57 -3.900 -19.258 15.514 1.00 41.03 H new ATOM 0 HB3 ARG A 57 -3.047 -18.324 14.302 1.00 41.03 H new ATOM 0 HG2 ARG A 57 -3.793 -16.232 15.490 1.00 63.21 H new ATOM 0 HG3 ARG A 57 -4.457 -17.247 16.755 1.00 63.21 H new ATOM 0 HD2 ARG A 57 -2.312 -16.741 17.504 1.00 1.42 H new ATOM 0 HD3 ARG A 57 -2.170 -18.363 16.856 1.00 1.42 H new ATOM 0 HE ARG A 57 -1.612 -16.323 14.846 1.00 63.45 H new ATOM 0 HH11 ARG A 57 -0.102 -18.446 17.282 1.00 61.25 H new ATOM 0 HH12 ARG A 57 1.534 -18.081 16.724 1.00 61.25 H new ATOM 0 HH21 ARG A 57 0.474 -15.810 14.230 1.00 43.14 H new ATOM 0 HH22 ARG A 57 1.855 -16.595 15.003 1.00 43.14 H new ATOM 770 N TRP A 58 -4.257 -17.531 12.054 1.00 65.24 N ATOM 771 CA TRP A 58 -3.974 -16.698 10.898 1.00 23.24 C ATOM 772 C TRP A 58 -5.234 -16.348 10.153 1.00 55.35 C ATOM 773 O TRP A 58 -5.429 -15.201 9.774 1.00 52.44 O ATOM 774 CB TRP A 58 -2.972 -17.368 9.954 1.00 43.10 C ATOM 775 CG TRP A 58 -1.565 -17.332 10.436 1.00 54.15 C ATOM 776 CD1 TRP A 58 -0.731 -18.389 10.583 1.00 13.15 C ATOM 777 CD2 TRP A 58 -0.824 -16.166 10.835 1.00 73.33 C ATOM 778 NE1 TRP A 58 0.486 -17.962 11.061 1.00 13.42 N ATOM 779 CE2 TRP A 58 0.457 -16.596 11.209 1.00 31.21 C ATOM 780 CE3 TRP A 58 -1.123 -14.797 10.905 1.00 24.34 C ATOM 781 CZ2 TRP A 58 1.444 -15.706 11.647 1.00 3.41 C ATOM 782 CZ3 TRP A 58 -0.150 -13.925 11.337 1.00 35.13 C ATOM 783 CH2 TRP A 58 1.117 -14.380 11.699 1.00 55.40 C ATOM 0 H TRP A 58 -3.926 -18.491 11.955 1.00 65.24 H new ATOM 0 HA TRP A 58 -3.527 -15.777 11.272 1.00 23.24 H new ATOM 0 HB2 TRP A 58 -3.267 -18.407 9.806 1.00 43.10 H new ATOM 0 HB3 TRP A 58 -3.024 -16.880 8.981 1.00 43.10 H new ATOM 0 HD1 TRP A 58 -0.984 -19.415 10.358 1.00 13.15 H new ATOM 0 HE1 TRP A 58 1.283 -18.563 11.272 1.00 13.42 H new ATOM 0 HE3 TRP A 58 -2.101 -14.434 10.624 1.00 24.34 H new ATOM 0 HZ2 TRP A 58 2.426 -16.053 11.933 1.00 3.41 H new ATOM 0 HZ3 TRP A 58 -0.372 -12.870 11.397 1.00 35.13 H new ATOM 0 HH2 TRP A 58 1.858 -13.667 12.029 1.00 55.40 H new ATOM 794 N LEU A 59 -6.095 -17.337 9.956 1.00 53.31 N ATOM 795 CA LEU A 59 -7.378 -17.125 9.295 1.00 50.01 C ATOM 796 C LEU A 59 -8.162 -16.111 10.086 1.00 24.41 C ATOM 797 O LEU A 59 -8.784 -15.225 9.525 1.00 23.05 O ATOM 798 CB LEU A 59 -8.148 -18.457 9.177 1.00 20.41 C ATOM 799 CG LEU A 59 -9.466 -18.485 8.341 1.00 62.30 C ATOM 800 CD1 LEU A 59 -10.640 -17.780 9.016 1.00 63.52 C ATOM 801 CD2 LEU A 59 -9.237 -17.931 6.947 1.00 5.32 C ATOM 0 H LEU A 59 -5.928 -18.300 10.246 1.00 53.31 H new ATOM 0 HA LEU A 59 -7.221 -16.749 8.284 1.00 50.01 H new ATOM 0 HB2 LEU A 59 -7.469 -19.195 8.750 1.00 20.41 H new ATOM 0 HB3 LEU A 59 -8.389 -18.791 10.186 1.00 20.41 H new ATOM 0 HG LEU A 59 -9.747 -19.536 8.268 1.00 62.30 H new ATOM 0 HD11 LEU A 59 -11.519 -17.842 8.375 1.00 63.52 H new ATOM 0 HD12 LEU A 59 -10.853 -18.261 9.971 1.00 63.52 H new ATOM 0 HD13 LEU A 59 -10.387 -16.733 9.185 1.00 63.52 H new ATOM 0 HD21 LEU A 59 -10.171 -17.962 6.385 1.00 5.32 H new ATOM 0 HD22 LEU A 59 -8.890 -16.900 7.018 1.00 5.32 H new ATOM 0 HD23 LEU A 59 -8.486 -18.533 6.435 1.00 5.32 H new ATOM 813 N HIS A 60 -8.107 -16.256 11.386 1.00 10.23 N ATOM 814 CA HIS A 60 -8.730 -15.351 12.318 1.00 34.02 C ATOM 815 C HIS A 60 -8.195 -13.934 12.088 1.00 3.12 C ATOM 816 O HIS A 60 -8.960 -12.999 11.984 1.00 65.12 O ATOM 817 CB HIS A 60 -8.423 -15.820 13.751 1.00 64.50 C ATOM 818 CG HIS A 60 -8.976 -14.962 14.835 1.00 62.33 C ATOM 819 ND1 HIS A 60 -8.251 -14.006 15.514 1.00 3.20 N ATOM 820 CD2 HIS A 60 -10.200 -14.938 15.353 1.00 42.24 C ATOM 821 CE1 HIS A 60 -9.065 -13.443 16.412 1.00 72.13 C ATOM 822 NE2 HIS A 60 -10.265 -13.972 16.354 1.00 61.13 N ATOM 0 H HIS A 60 -7.615 -17.027 11.837 1.00 10.23 H new ATOM 0 HA HIS A 60 -9.810 -15.342 12.170 1.00 34.02 H new ATOM 0 HB2 HIS A 60 -8.812 -16.830 13.876 1.00 64.50 H new ATOM 0 HB3 HIS A 60 -7.341 -15.878 13.873 1.00 64.50 H new ATOM 0 HD2 HIS A 60 -11.019 -15.571 15.045 1.00 42.24 H new ATOM 0 HE1 HIS A 60 -8.774 -12.658 17.094 1.00 72.13 H new ATOM 0 HE2 HIS A 60 -11.075 -13.727 16.923 1.00 61.13 H new ATOM 830 N TRP A 61 -6.875 -13.814 11.989 1.00 41.21 N ATOM 831 CA TRP A 61 -6.201 -12.543 11.727 1.00 51.10 C ATOM 832 C TRP A 61 -6.723 -11.929 10.425 1.00 13.32 C ATOM 833 O TRP A 61 -7.081 -10.753 10.395 1.00 30.22 O ATOM 834 CB TRP A 61 -4.670 -12.771 11.690 1.00 31.33 C ATOM 835 CG TRP A 61 -3.818 -11.579 11.318 1.00 64.23 C ATOM 836 CD1 TRP A 61 -3.546 -10.478 12.084 1.00 33.24 C ATOM 837 CD2 TRP A 61 -3.081 -11.403 10.096 1.00 21.21 C ATOM 838 NE1 TRP A 61 -2.700 -9.630 11.400 1.00 1.13 N ATOM 839 CE2 TRP A 61 -2.404 -10.174 10.186 1.00 73.00 C ATOM 840 CE3 TRP A 61 -2.936 -12.162 8.936 1.00 15.22 C ATOM 841 CZ2 TRP A 61 -1.592 -9.689 9.164 1.00 24.30 C ATOM 842 CZ3 TRP A 61 -2.128 -11.677 7.923 1.00 62.55 C ATOM 843 CH2 TRP A 61 -1.468 -10.455 8.044 1.00 45.30 C ATOM 0 H TRP A 61 -6.235 -14.602 12.089 1.00 41.21 H new ATOM 0 HA TRP A 61 -6.416 -11.835 12.527 1.00 51.10 H new ATOM 0 HB2 TRP A 61 -4.354 -13.123 12.672 1.00 31.33 H new ATOM 0 HB3 TRP A 61 -4.462 -13.573 10.982 1.00 31.33 H new ATOM 0 HD1 TRP A 61 -3.935 -10.300 13.075 1.00 33.24 H new ATOM 0 HE1 TRP A 61 -2.351 -8.737 11.748 1.00 1.13 H new ATOM 0 HE3 TRP A 61 -3.444 -13.109 8.830 1.00 15.22 H new ATOM 0 HZ2 TRP A 61 -1.080 -8.742 9.256 1.00 24.30 H new ATOM 0 HZ3 TRP A 61 -2.006 -12.257 7.020 1.00 62.55 H new ATOM 0 HH2 TRP A 61 -0.845 -10.108 7.233 1.00 45.30 H new ATOM 854 N PHE A 62 -6.808 -12.747 9.382 1.00 2.34 N ATOM 855 CA PHE A 62 -7.355 -12.320 8.101 1.00 41.32 C ATOM 856 C PHE A 62 -8.820 -11.901 8.239 1.00 55.23 C ATOM 857 O PHE A 62 -9.201 -10.799 7.851 1.00 41.31 O ATOM 858 CB PHE A 62 -7.258 -13.436 7.042 1.00 24.01 C ATOM 859 CG PHE A 62 -5.874 -13.765 6.561 1.00 23.14 C ATOM 860 CD1 PHE A 62 -5.130 -12.825 5.887 1.00 44.11 C ATOM 861 CD2 PHE A 62 -5.338 -15.026 6.746 1.00 64.21 C ATOM 862 CE1 PHE A 62 -3.874 -13.135 5.414 1.00 63.11 C ATOM 863 CE2 PHE A 62 -4.083 -15.340 6.281 1.00 75.03 C ATOM 864 CZ PHE A 62 -3.349 -14.393 5.612 1.00 12.33 C ATOM 0 H PHE A 62 -6.501 -13.720 9.401 1.00 2.34 H new ATOM 0 HA PHE A 62 -6.759 -11.467 7.777 1.00 41.32 H new ATOM 0 HB2 PHE A 62 -7.703 -14.341 7.454 1.00 24.01 H new ATOM 0 HB3 PHE A 62 -7.862 -13.147 6.182 1.00 24.01 H new ATOM 0 HD1 PHE A 62 -5.534 -11.836 5.727 1.00 44.11 H new ATOM 0 HD2 PHE A 62 -5.915 -15.777 7.265 1.00 64.21 H new ATOM 0 HE1 PHE A 62 -3.299 -12.389 4.886 1.00 63.11 H new ATOM 0 HE2 PHE A 62 -3.677 -16.328 6.441 1.00 75.03 H new ATOM 0 HZ PHE A 62 -2.363 -14.633 5.242 1.00 12.33 H new ATOM 874 N ARG A 63 -9.614 -12.777 8.816 1.00 52.42 N ATOM 875 CA ARG A 63 -11.061 -12.601 8.969 1.00 4.44 C ATOM 876 C ARG A 63 -11.351 -11.311 9.738 1.00 73.43 C ATOM 877 O ARG A 63 -12.218 -10.526 9.377 1.00 24.44 O ATOM 878 CB ARG A 63 -11.624 -13.783 9.767 1.00 13.53 C ATOM 879 CG ARG A 63 -13.119 -13.978 9.645 1.00 53.10 C ATOM 880 CD ARG A 63 -13.467 -14.569 8.290 1.00 4.11 C ATOM 881 NE ARG A 63 -14.929 -14.716 8.104 1.00 5.54 N ATOM 882 CZ ARG A 63 -15.538 -15.374 7.088 1.00 50.45 C ATOM 883 NH1 ARG A 63 -14.823 -16.015 6.165 1.00 52.44 N ATOM 884 NH2 ARG A 63 -16.874 -15.392 7.013 1.00 44.01 N ATOM 0 H ARG A 63 -9.273 -13.656 9.205 1.00 52.42 H new ATOM 0 HA ARG A 63 -11.523 -12.550 7.983 1.00 4.44 H new ATOM 0 HB2 ARG A 63 -11.125 -14.695 9.439 1.00 13.53 H new ATOM 0 HB3 ARG A 63 -11.375 -13.644 10.819 1.00 13.53 H new ATOM 0 HG2 ARG A 63 -13.472 -14.637 10.438 1.00 53.10 H new ATOM 0 HG3 ARG A 63 -13.628 -13.023 9.774 1.00 53.10 H new ATOM 0 HD2 ARG A 63 -13.064 -13.931 7.503 1.00 4.11 H new ATOM 0 HD3 ARG A 63 -12.989 -15.543 8.187 1.00 4.11 H new ATOM 0 HE ARG A 63 -15.532 -14.283 8.804 1.00 5.54 H new ATOM 0 HH11 ARG A 63 -13.804 -16.014 6.218 1.00 52.44 H new ATOM 0 HH12 ARG A 63 -15.294 -16.506 5.405 1.00 52.44 H new ATOM 0 HH21 ARG A 63 -17.431 -14.911 7.719 1.00 44.01 H new ATOM 0 HH22 ARG A 63 -17.335 -15.886 6.249 1.00 44.01 H new ATOM 898 N LYS A 64 -10.562 -11.102 10.760 1.00 22.45 N ATOM 899 CA LYS A 64 -10.668 -9.977 11.663 1.00 20.15 C ATOM 900 C LYS A 64 -10.092 -8.689 11.011 1.00 71.55 C ATOM 901 O LYS A 64 -10.077 -7.613 11.625 1.00 22.22 O ATOM 902 CB LYS A 64 -9.863 -10.309 12.902 1.00 44.41 C ATOM 903 CG LYS A 64 -10.028 -9.362 14.063 1.00 11.34 C ATOM 904 CD LYS A 64 -8.815 -9.419 14.963 1.00 73.52 C ATOM 905 CE LYS A 64 -7.545 -9.007 14.180 1.00 35.25 C ATOM 906 NZ LYS A 64 -7.745 -7.740 13.390 1.00 41.24 N ATOM 0 H LYS A 64 -9.797 -11.733 10.998 1.00 22.45 H new ATOM 0 HA LYS A 64 -11.715 -9.796 11.905 1.00 20.15 H new ATOM 0 HB2 LYS A 64 -10.137 -11.311 13.233 1.00 44.41 H new ATOM 0 HB3 LYS A 64 -8.808 -10.340 12.630 1.00 44.41 H new ATOM 0 HG2 LYS A 64 -10.169 -8.346 13.695 1.00 11.34 H new ATOM 0 HG3 LYS A 64 -10.922 -9.623 14.629 1.00 11.34 H new ATOM 0 HD2 LYS A 64 -8.955 -8.756 15.816 1.00 73.52 H new ATOM 0 HD3 LYS A 64 -8.695 -10.427 15.359 1.00 73.52 H new ATOM 0 HE2 LYS A 64 -6.719 -8.870 14.878 1.00 35.25 H new ATOM 0 HE3 LYS A 64 -7.261 -9.813 13.504 1.00 35.25 H new ATOM 0 HZ1 LYS A 64 -7.692 -7.953 12.373 1.00 41.24 H new ATOM 0 HZ2 LYS A 64 -8.678 -7.336 13.612 1.00 41.24 H new ATOM 0 HZ3 LYS A 64 -7.003 -7.055 13.639 1.00 41.24 H new ATOM 920 N ASN A 65 -9.528 -8.830 9.838 1.00 61.13 N ATOM 921 CA ASN A 65 -9.011 -7.696 9.076 1.00 55.13 C ATOM 922 C ASN A 65 -9.906 -7.411 7.889 1.00 55.23 C ATOM 923 O ASN A 65 -9.605 -6.560 7.065 1.00 0.33 O ATOM 924 CB ASN A 65 -7.552 -7.913 8.610 1.00 21.20 C ATOM 925 CG ASN A 65 -6.491 -7.601 9.670 1.00 64.13 C ATOM 926 OD1 ASN A 65 -6.719 -7.708 10.894 1.00 43.11 O ATOM 927 ND2 ASN A 65 -5.321 -7.207 9.218 1.00 22.34 N ATOM 0 H ASN A 65 -9.409 -9.731 9.375 1.00 61.13 H new ATOM 0 HA ASN A 65 -9.009 -6.834 9.743 1.00 55.13 H new ATOM 0 HB2 ASN A 65 -7.436 -8.949 8.293 1.00 21.20 H new ATOM 0 HB3 ASN A 65 -7.367 -7.289 7.735 1.00 21.20 H new ATOM 0 HD21 ASN A 65 -4.572 -6.980 9.872 1.00 22.34 H new ATOM 0 HD22 ASN A 65 -5.162 -7.129 8.213 1.00 22.34 H new ATOM 934 N GLY A 66 -11.010 -8.137 7.804 1.00 12.12 N ATOM 935 CA GLY A 66 -11.969 -7.906 6.749 1.00 41.02 C ATOM 936 C GLY A 66 -11.821 -8.858 5.583 1.00 30.04 C ATOM 937 O GLY A 66 -12.515 -8.718 4.572 1.00 51.33 O ATOM 0 H GLY A 66 -11.258 -8.885 8.451 1.00 12.12 H new ATOM 0 HA2 GLY A 66 -12.976 -7.997 7.157 1.00 41.02 H new ATOM 0 HA3 GLY A 66 -11.862 -6.883 6.389 1.00 41.02 H new ATOM 941 N TYR A 67 -10.929 -9.821 5.705 1.00 45.41 N ATOM 942 CA TYR A 67 -10.716 -10.783 4.647 1.00 61.10 C ATOM 943 C TYR A 67 -11.854 -11.741 4.492 1.00 33.34 C ATOM 944 O TYR A 67 -12.319 -12.370 5.460 1.00 44.51 O ATOM 945 CB TYR A 67 -9.447 -11.564 4.835 1.00 42.21 C ATOM 946 CG TYR A 67 -8.210 -10.839 4.434 1.00 54.13 C ATOM 947 CD1 TYR A 67 -7.603 -9.917 5.271 1.00 22.11 C ATOM 948 CD2 TYR A 67 -7.637 -11.099 3.216 1.00 2.14 C ATOM 949 CE1 TYR A 67 -6.453 -9.278 4.892 1.00 31.41 C ATOM 950 CE2 TYR A 67 -6.501 -10.471 2.826 1.00 52.23 C ATOM 951 CZ TYR A 67 -5.906 -9.557 3.668 1.00 32.51 C ATOM 952 OH TYR A 67 -4.763 -8.944 3.289 1.00 72.54 O ATOM 0 H TYR A 67 -10.341 -9.956 6.527 1.00 45.41 H new ATOM 0 HA TYR A 67 -10.640 -10.186 3.738 1.00 61.10 H new ATOM 0 HB2 TYR A 67 -9.362 -11.848 5.884 1.00 42.21 H new ATOM 0 HB3 TYR A 67 -9.515 -12.487 4.259 1.00 42.21 H new ATOM 0 HD1 TYR A 67 -8.042 -9.700 6.234 1.00 22.11 H new ATOM 0 HD2 TYR A 67 -8.099 -11.817 2.555 1.00 2.14 H new ATOM 0 HE1 TYR A 67 -5.983 -8.563 5.550 1.00 31.41 H new ATOM 0 HE2 TYR A 67 -6.065 -10.686 1.862 1.00 52.23 H new ATOM 0 HH TYR A 67 -4.459 -8.348 4.005 1.00 72.54 H new ATOM 962 N ARG A 68 -12.260 -11.901 3.271 1.00 64.24 N ATOM 963 CA ARG A 68 -13.323 -12.803 2.923 1.00 73.41 C ATOM 964 C ARG A 68 -12.709 -14.186 2.627 1.00 55.50 C ATOM 965 O ARG A 68 -12.903 -14.759 1.564 1.00 23.42 O ATOM 966 CB ARG A 68 -14.053 -12.229 1.695 1.00 61.51 C ATOM 967 CG ARG A 68 -14.632 -10.842 1.938 1.00 52.12 C ATOM 968 CD ARG A 68 -15.111 -10.179 0.652 1.00 40.51 C ATOM 969 NE ARG A 68 -15.740 -8.864 0.912 1.00 14.12 N ATOM 970 CZ ARG A 68 -15.606 -7.757 0.137 1.00 2.53 C ATOM 971 NH1 ARG A 68 -14.733 -7.728 -0.864 1.00 64.35 N ATOM 972 NH2 ARG A 68 -16.315 -6.655 0.411 1.00 15.31 N ATOM 0 H ARG A 68 -11.860 -11.404 2.475 1.00 64.24 H new ATOM 0 HA ARG A 68 -14.043 -12.915 3.734 1.00 73.41 H new ATOM 0 HB2 ARG A 68 -13.359 -12.184 0.855 1.00 61.51 H new ATOM 0 HB3 ARG A 68 -14.857 -12.907 1.408 1.00 61.51 H new ATOM 0 HG2 ARG A 68 -15.465 -10.916 2.637 1.00 52.12 H new ATOM 0 HG3 ARG A 68 -13.876 -10.213 2.408 1.00 52.12 H new ATOM 0 HD2 ARG A 68 -14.268 -10.051 -0.027 1.00 40.51 H new ATOM 0 HD3 ARG A 68 -15.826 -10.831 0.151 1.00 40.51 H new ATOM 0 HE ARG A 68 -16.324 -8.783 1.744 1.00 14.12 H new ATOM 0 HH11 ARG A 68 -14.153 -8.544 -1.059 1.00 64.35 H new ATOM 0 HH12 ARG A 68 -14.643 -6.890 -1.438 1.00 64.35 H new ATOM 0 HH21 ARG A 68 -16.957 -6.646 1.203 1.00 15.31 H new ATOM 0 HH22 ARG A 68 -16.213 -5.825 -0.172 1.00 15.31 H new ATOM 986 N LEU A 69 -11.995 -14.709 3.605 1.00 13.35 N ATOM 987 CA LEU A 69 -11.316 -15.991 3.491 1.00 53.13 C ATOM 988 C LEU A 69 -11.966 -17.004 4.386 1.00 65.12 C ATOM 989 O LEU A 69 -12.320 -16.690 5.537 1.00 23.42 O ATOM 990 CB LEU A 69 -9.833 -15.863 3.875 1.00 33.51 C ATOM 991 CG LEU A 69 -8.955 -15.028 2.953 1.00 51.44 C ATOM 992 CD1 LEU A 69 -7.537 -14.955 3.486 1.00 54.40 C ATOM 993 CD2 LEU A 69 -8.948 -15.628 1.575 1.00 51.44 C ATOM 0 H LEU A 69 -11.867 -14.255 4.509 1.00 13.35 H new ATOM 0 HA LEU A 69 -11.389 -16.315 2.453 1.00 53.13 H new ATOM 0 HB2 LEU A 69 -9.777 -15.436 4.876 1.00 33.51 H new ATOM 0 HB3 LEU A 69 -9.409 -16.866 3.932 1.00 33.51 H new ATOM 0 HG LEU A 69 -9.363 -14.018 2.908 1.00 51.44 H new ATOM 0 HD11 LEU A 69 -6.926 -14.354 2.813 1.00 54.40 H new ATOM 0 HD12 LEU A 69 -7.543 -14.498 4.476 1.00 54.40 H new ATOM 0 HD13 LEU A 69 -7.121 -15.960 3.553 1.00 54.40 H new ATOM 0 HD21 LEU A 69 -8.318 -15.027 0.919 1.00 51.44 H new ATOM 0 HD22 LEU A 69 -8.556 -16.644 1.623 1.00 51.44 H new ATOM 0 HD23 LEU A 69 -9.965 -15.649 1.182 1.00 51.44 H new ATOM 1005 N THR A 70 -12.140 -18.187 3.888 1.00 44.13 N ATOM 1006 CA THR A 70 -12.720 -19.238 4.647 1.00 42.21 C ATOM 1007 C THR A 70 -11.605 -20.156 5.157 1.00 32.43 C ATOM 1008 O THR A 70 -10.607 -20.391 4.474 1.00 72.14 O ATOM 1009 CB THR A 70 -13.709 -20.028 3.789 1.00 44.40 C ATOM 1010 OG1 THR A 70 -14.535 -19.105 3.077 1.00 55.12 O ATOM 1011 CG2 THR A 70 -14.602 -20.914 4.654 1.00 13.23 C ATOM 0 H THR A 70 -11.880 -18.448 2.937 1.00 44.13 H new ATOM 0 HA THR A 70 -13.264 -18.820 5.494 1.00 42.21 H new ATOM 0 HB THR A 70 -13.147 -20.662 3.104 1.00 44.40 H new ATOM 0 HG1 THR A 70 -15.173 -19.599 2.521 1.00 55.12 H new ATOM 0 HG21 THR A 70 -15.295 -21.464 4.017 1.00 13.23 H new ATOM 0 HG22 THR A 70 -13.985 -21.618 5.212 1.00 13.23 H new ATOM 0 HG23 THR A 70 -15.165 -20.293 5.351 1.00 13.23 H new ATOM 1019 N LEU A 71 -11.800 -20.678 6.338 1.00 31.34 N ATOM 1020 CA LEU A 71 -10.804 -21.493 7.033 1.00 3.30 C ATOM 1021 C LEU A 71 -10.483 -22.780 6.270 1.00 1.55 C ATOM 1022 O LEU A 71 -9.342 -23.220 6.239 1.00 52.31 O ATOM 1023 CB LEU A 71 -11.294 -21.784 8.465 1.00 34.13 C ATOM 1024 CG LEU A 71 -10.359 -22.583 9.376 1.00 24.43 C ATOM 1025 CD1 LEU A 71 -9.057 -21.847 9.647 1.00 10.00 C ATOM 1026 CD2 LEU A 71 -11.035 -22.926 10.681 1.00 2.13 C ATOM 0 H LEU A 71 -12.665 -20.555 6.864 1.00 31.34 H new ATOM 0 HA LEU A 71 -9.870 -20.934 7.086 1.00 3.30 H new ATOM 0 HB2 LEU A 71 -11.505 -20.831 8.950 1.00 34.13 H new ATOM 0 HB3 LEU A 71 -12.239 -22.322 8.396 1.00 34.13 H new ATOM 0 HG LEU A 71 -10.120 -23.505 8.846 1.00 24.43 H new ATOM 0 HD11 LEU A 71 -8.426 -22.452 10.298 1.00 10.00 H new ATOM 0 HD12 LEU A 71 -8.539 -21.665 8.705 1.00 10.00 H new ATOM 0 HD13 LEU A 71 -9.271 -20.895 10.133 1.00 10.00 H new ATOM 0 HD21 LEU A 71 -10.348 -23.494 11.309 1.00 2.13 H new ATOM 0 HD22 LEU A 71 -11.322 -22.008 11.195 1.00 2.13 H new ATOM 0 HD23 LEU A 71 -11.925 -23.524 10.484 1.00 2.13 H new ATOM 1038 N ARG A 72 -11.480 -23.331 5.605 1.00 2.01 N ATOM 1039 CA ARG A 72 -11.308 -24.580 4.877 1.00 24.02 C ATOM 1040 C ARG A 72 -10.373 -24.408 3.667 1.00 71.31 C ATOM 1041 O ARG A 72 -9.720 -25.355 3.252 1.00 21.54 O ATOM 1042 CB ARG A 72 -12.665 -25.127 4.425 1.00 65.13 C ATOM 1043 CG ARG A 72 -12.596 -26.506 3.771 1.00 52.40 C ATOM 1044 CD ARG A 72 -13.969 -26.996 3.341 1.00 3.25 C ATOM 1045 NE ARG A 72 -13.902 -28.326 2.704 1.00 62.01 N ATOM 1046 CZ ARG A 72 -14.955 -29.010 2.214 1.00 45.04 C ATOM 1047 NH1 ARG A 72 -16.191 -28.492 2.286 1.00 73.43 N ATOM 1048 NH2 ARG A 72 -14.769 -30.213 1.655 1.00 4.34 N ATOM 0 H ARG A 72 -12.419 -22.936 5.552 1.00 2.01 H new ATOM 0 HA ARG A 72 -10.845 -25.296 5.556 1.00 24.02 H new ATOM 0 HB2 ARG A 72 -13.329 -25.179 5.288 1.00 65.13 H new ATOM 0 HB3 ARG A 72 -13.111 -24.425 3.721 1.00 65.13 H new ATOM 0 HG2 ARG A 72 -11.937 -26.464 2.904 1.00 52.40 H new ATOM 0 HG3 ARG A 72 -12.158 -27.218 4.470 1.00 52.40 H new ATOM 0 HD2 ARG A 72 -14.627 -27.041 4.209 1.00 3.25 H new ATOM 0 HD3 ARG A 72 -14.408 -26.281 2.645 1.00 3.25 H new ATOM 0 HE ARG A 72 -12.984 -28.763 2.628 1.00 62.01 H new ATOM 0 HH11 ARG A 72 -16.336 -27.577 2.713 1.00 73.43 H new ATOM 0 HH12 ARG A 72 -16.985 -29.013 1.914 1.00 73.43 H new ATOM 0 HH21 ARG A 72 -13.831 -30.611 1.600 1.00 4.34 H new ATOM 0 HH22 ARG A 72 -15.565 -30.732 1.284 1.00 4.34 H new ATOM 1062 N GLU A 73 -10.294 -23.189 3.141 1.00 1.30 N ATOM 1063 CA GLU A 73 -9.480 -22.910 1.963 1.00 1.42 C ATOM 1064 C GLU A 73 -8.012 -23.039 2.305 1.00 75.45 C ATOM 1065 O GLU A 73 -7.277 -23.793 1.668 1.00 24.35 O ATOM 1066 CB GLU A 73 -9.781 -21.514 1.425 1.00 20.12 C ATOM 1067 CG GLU A 73 -11.229 -21.338 1.044 1.00 20.23 C ATOM 1068 CD GLU A 73 -11.552 -19.964 0.536 1.00 33.22 C ATOM 1069 OE1 GLU A 73 -11.714 -19.020 1.353 1.00 71.30 O ATOM 1070 OE2 GLU A 73 -11.661 -19.795 -0.678 1.00 70.43 O ATOM 0 H GLU A 73 -10.786 -22.377 3.514 1.00 1.30 H new ATOM 0 HA GLU A 73 -9.725 -23.636 1.188 1.00 1.42 H new ATOM 0 HB2 GLU A 73 -9.515 -20.773 2.179 1.00 20.12 H new ATOM 0 HB3 GLU A 73 -9.154 -21.322 0.554 1.00 20.12 H new ATOM 0 HG2 GLU A 73 -11.486 -22.070 0.278 1.00 20.23 H new ATOM 0 HG3 GLU A 73 -11.853 -21.552 1.912 1.00 20.23 H new ATOM 1077 N LEU A 74 -7.606 -22.324 3.339 1.00 64.51 N ATOM 1078 CA LEU A 74 -6.257 -22.351 3.828 1.00 74.13 C ATOM 1079 C LEU A 74 -5.822 -23.759 4.279 1.00 34.00 C ATOM 1080 O LEU A 74 -4.650 -24.074 4.239 1.00 71.11 O ATOM 1081 CB LEU A 74 -6.071 -21.349 4.976 1.00 61.10 C ATOM 1082 CG LEU A 74 -5.971 -19.864 4.594 1.00 65.14 C ATOM 1083 CD1 LEU A 74 -7.208 -19.339 3.945 1.00 42.13 C ATOM 1084 CD2 LEU A 74 -5.556 -19.003 5.768 1.00 54.03 C ATOM 0 H LEU A 74 -8.221 -21.702 3.864 1.00 64.51 H new ATOM 0 HA LEU A 74 -5.617 -22.062 2.994 1.00 74.13 H new ATOM 0 HB2 LEU A 74 -6.906 -21.466 5.667 1.00 61.10 H new ATOM 0 HB3 LEU A 74 -5.167 -21.621 5.520 1.00 61.10 H new ATOM 0 HG LEU A 74 -5.182 -19.806 3.844 1.00 65.14 H new ATOM 0 HD11 LEU A 74 -7.072 -18.286 3.701 1.00 42.13 H new ATOM 0 HD12 LEU A 74 -7.406 -19.901 3.032 1.00 42.13 H new ATOM 0 HD13 LEU A 74 -8.051 -19.447 4.628 1.00 42.13 H new ATOM 0 HD21 LEU A 74 -5.498 -17.961 5.453 1.00 54.03 H new ATOM 0 HD22 LEU A 74 -6.290 -19.100 6.568 1.00 54.03 H new ATOM 0 HD23 LEU A 74 -4.580 -19.327 6.130 1.00 54.03 H new ATOM 1096 N TYR A 75 -6.772 -24.584 4.726 1.00 22.21 N ATOM 1097 CA TYR A 75 -6.446 -25.967 5.106 1.00 31.11 C ATOM 1098 C TYR A 75 -6.262 -26.859 3.909 1.00 12.33 C ATOM 1099 O TYR A 75 -5.555 -27.858 3.977 1.00 40.22 O ATOM 1100 CB TYR A 75 -7.462 -26.590 6.085 1.00 53.43 C ATOM 1101 CG TYR A 75 -7.293 -26.142 7.457 1.00 61.40 C ATOM 1102 CD1 TYR A 75 -6.092 -26.312 8.088 1.00 35.44 C ATOM 1103 CD2 TYR A 75 -8.322 -25.549 8.129 1.00 75.53 C ATOM 1104 CE1 TYR A 75 -5.912 -25.875 9.360 1.00 62.11 C ATOM 1105 CE2 TYR A 75 -8.159 -25.121 9.403 1.00 43.22 C ATOM 1106 CZ TYR A 75 -6.957 -25.271 10.011 1.00 32.00 C ATOM 1107 OH TYR A 75 -6.786 -24.794 11.255 1.00 10.22 O ATOM 0 H TYR A 75 -7.754 -24.329 4.833 1.00 22.21 H new ATOM 0 HA TYR A 75 -5.494 -25.896 5.633 1.00 31.11 H new ATOM 0 HB2 TYR A 75 -8.471 -26.346 5.753 1.00 53.43 H new ATOM 0 HB3 TYR A 75 -7.369 -27.675 6.051 1.00 53.43 H new ATOM 0 HD1 TYR A 75 -5.279 -26.799 7.569 1.00 35.44 H new ATOM 0 HD2 TYR A 75 -9.276 -25.420 7.640 1.00 75.53 H new ATOM 0 HE1 TYR A 75 -4.959 -26.001 9.853 1.00 62.11 H new ATOM 0 HE2 TYR A 75 -8.982 -24.663 9.932 1.00 43.22 H new ATOM 0 HH TYR A 75 -5.961 -25.161 11.636 1.00 10.22 H new ATOM 1117 N ALA A 76 -6.886 -26.504 2.816 1.00 61.43 N ATOM 1118 CA ALA A 76 -6.776 -27.300 1.628 1.00 10.14 C ATOM 1119 C ALA A 76 -5.501 -26.946 0.876 1.00 41.53 C ATOM 1120 O ALA A 76 -4.829 -27.814 0.319 1.00 70.22 O ATOM 1121 CB ALA A 76 -8.003 -27.137 0.743 1.00 61.45 C ATOM 0 H ALA A 76 -7.472 -25.674 2.727 1.00 61.43 H new ATOM 0 HA ALA A 76 -6.723 -28.349 1.918 1.00 10.14 H new ATOM 0 HB1 ALA A 76 -7.892 -27.752 -0.150 1.00 61.45 H new ATOM 0 HB2 ALA A 76 -8.891 -27.451 1.291 1.00 61.45 H new ATOM 0 HB3 ALA A 76 -8.106 -26.091 0.453 1.00 61.45 H new ATOM 1127 N ALA A 77 -5.174 -25.674 0.869 1.00 54.04 N ATOM 1128 CA ALA A 77 -3.973 -25.208 0.231 1.00 0.14 C ATOM 1129 C ALA A 77 -3.253 -24.222 1.135 1.00 73.55 C ATOM 1130 O ALA A 77 -3.557 -23.025 1.133 1.00 51.22 O ATOM 1131 CB ALA A 77 -4.277 -24.576 -1.124 1.00 74.15 C ATOM 0 H ALA A 77 -5.732 -24.940 1.304 1.00 54.04 H new ATOM 0 HA ALA A 77 -3.323 -26.065 0.056 1.00 0.14 H new ATOM 0 HB1 ALA A 77 -3.349 -24.233 -1.582 1.00 74.15 H new ATOM 0 HB2 ALA A 77 -4.750 -25.314 -1.772 1.00 74.15 H new ATOM 0 HB3 ALA A 77 -4.949 -23.729 -0.988 1.00 74.15 H new ATOM 1137 N PRO A 78 -2.357 -24.705 1.996 1.00 14.22 N ATOM 1138 CA PRO A 78 -1.587 -23.850 2.839 1.00 43.13 C ATOM 1139 C PRO A 78 -0.216 -23.582 2.242 1.00 75.12 C ATOM 1140 O PRO A 78 0.764 -24.285 2.540 1.00 32.21 O ATOM 1141 CB PRO A 78 -1.456 -24.670 4.130 1.00 24.50 C ATOM 1142 CG PRO A 78 -1.749 -26.104 3.733 1.00 53.00 C ATOM 1143 CD PRO A 78 -2.066 -26.108 2.257 1.00 31.42 C ATOM 0 HA PRO A 78 -2.045 -22.872 2.985 1.00 43.13 H new ATOM 0 HB2 PRO A 78 -0.456 -24.577 4.554 1.00 24.50 H new ATOM 0 HB3 PRO A 78 -2.157 -24.322 4.888 1.00 24.50 H new ATOM 0 HG2 PRO A 78 -0.892 -26.743 3.943 1.00 53.00 H new ATOM 0 HG3 PRO A 78 -2.588 -26.497 4.307 1.00 53.00 H new ATOM 0 HD2 PRO A 78 -1.226 -26.466 1.662 1.00 31.42 H new ATOM 0 HD3 PRO A 78 -2.917 -26.749 2.026 1.00 31.42 H new ATOM 1151 N THR A 79 -0.157 -22.590 1.410 1.00 34.13 N ATOM 1152 CA THR A 79 1.043 -22.162 0.752 1.00 20.34 C ATOM 1153 C THR A 79 0.988 -20.649 0.679 1.00 70.51 C ATOM 1154 O THR A 79 -0.097 -20.083 0.554 1.00 13.41 O ATOM 1155 CB THR A 79 1.145 -22.763 -0.669 1.00 65.54 C ATOM 1156 OG1 THR A 79 -0.069 -22.559 -1.378 1.00 74.11 O ATOM 1157 CG2 THR A 79 1.472 -24.243 -0.657 1.00 40.32 C ATOM 0 H THR A 79 -0.974 -22.033 1.159 1.00 34.13 H new ATOM 0 HA THR A 79 1.920 -22.500 1.304 1.00 20.34 H new ATOM 0 HB THR A 79 1.965 -22.246 -1.167 1.00 65.54 H new ATOM 0 HG1 THR A 79 0.114 -22.065 -2.204 1.00 74.11 H new ATOM 0 HG21 THR A 79 1.531 -24.611 -1.681 1.00 40.32 H new ATOM 0 HG22 THR A 79 2.429 -24.400 -0.159 1.00 40.32 H new ATOM 0 HG23 THR A 79 0.691 -24.784 -0.122 1.00 40.32 H new ATOM 1165 N LEU A 80 2.112 -19.992 0.750 1.00 21.31 N ATOM 1166 CA LEU A 80 2.103 -18.552 0.862 1.00 11.33 C ATOM 1167 C LEU A 80 1.728 -17.848 -0.438 1.00 15.42 C ATOM 1168 O LEU A 80 1.072 -16.811 -0.403 1.00 23.40 O ATOM 1169 CB LEU A 80 3.422 -18.028 1.434 1.00 42.42 C ATOM 1170 CG LEU A 80 3.281 -17.061 2.614 1.00 73.12 C ATOM 1171 CD1 LEU A 80 2.526 -15.844 2.242 1.00 1.13 C ATOM 1172 CD2 LEU A 80 2.609 -17.735 3.741 1.00 12.14 C ATOM 0 H LEU A 80 3.038 -20.420 0.733 1.00 21.31 H new ATOM 0 HA LEU A 80 1.311 -18.306 1.570 1.00 11.33 H new ATOM 0 HB2 LEU A 80 4.026 -18.878 1.752 1.00 42.42 H new ATOM 0 HB3 LEU A 80 3.972 -17.527 0.637 1.00 42.42 H new ATOM 0 HG LEU A 80 4.285 -16.756 2.910 1.00 73.12 H new ATOM 0 HD11 LEU A 80 2.449 -15.185 3.107 1.00 1.13 H new ATOM 0 HD12 LEU A 80 3.046 -15.326 1.436 1.00 1.13 H new ATOM 0 HD13 LEU A 80 1.527 -16.124 1.909 1.00 1.13 H new ATOM 0 HD21 LEU A 80 2.513 -17.040 4.575 1.00 12.14 H new ATOM 0 HD22 LEU A 80 1.619 -18.066 3.429 1.00 12.14 H new ATOM 0 HD23 LEU A 80 3.198 -18.597 4.053 1.00 12.14 H new ATOM 1184 N ALA A 81 2.101 -18.402 -1.567 1.00 33.33 N ATOM 1185 CA ALA A 81 1.773 -17.774 -2.827 1.00 1.31 C ATOM 1186 C ALA A 81 0.280 -17.855 -3.089 1.00 73.51 C ATOM 1187 O ALA A 81 -0.336 -16.847 -3.447 1.00 71.50 O ATOM 1188 CB ALA A 81 2.585 -18.330 -3.978 1.00 22.11 C ATOM 0 H ALA A 81 2.625 -19.274 -1.641 1.00 33.33 H new ATOM 0 HA ALA A 81 2.044 -16.721 -2.752 1.00 1.31 H new ATOM 0 HB1 ALA A 81 2.301 -17.825 -4.901 1.00 22.11 H new ATOM 0 HB2 ALA A 81 3.646 -18.167 -3.787 1.00 22.11 H new ATOM 0 HB3 ALA A 81 2.394 -19.399 -4.075 1.00 22.11 H new ATOM 1194 N ALA A 82 -0.303 -19.040 -2.898 1.00 45.13 N ATOM 1195 CA ALA A 82 -1.753 -19.206 -3.006 1.00 15.42 C ATOM 1196 C ALA A 82 -2.470 -18.321 -2.013 1.00 52.41 C ATOM 1197 O ALA A 82 -3.472 -17.713 -2.353 1.00 61.32 O ATOM 1198 CB ALA A 82 -2.189 -20.641 -2.808 1.00 60.33 C ATOM 0 H ALA A 82 0.204 -19.895 -2.669 1.00 45.13 H new ATOM 0 HA ALA A 82 -2.022 -18.912 -4.021 1.00 15.42 H new ATOM 0 HB1 ALA A 82 -3.273 -20.708 -2.898 1.00 60.33 H new ATOM 0 HB2 ALA A 82 -1.722 -21.271 -3.565 1.00 60.33 H new ATOM 0 HB3 ALA A 82 -1.886 -20.980 -1.817 1.00 60.33 H new ATOM 1204 N TRP A 83 -1.958 -18.239 -0.788 1.00 72.40 N ATOM 1205 CA TRP A 83 -2.545 -17.356 0.213 1.00 34.15 C ATOM 1206 C TRP A 83 -2.503 -15.932 -0.238 1.00 70.40 C ATOM 1207 O TRP A 83 -3.488 -15.259 -0.168 1.00 22.23 O ATOM 1208 CB TRP A 83 -1.894 -17.491 1.567 1.00 63.01 C ATOM 1209 CG TRP A 83 -2.283 -18.718 2.317 1.00 72.21 C ATOM 1210 CD1 TRP A 83 -2.917 -19.831 1.845 1.00 73.30 C ATOM 1211 CD2 TRP A 83 -2.073 -18.930 3.686 1.00 20.51 C ATOM 1212 NE1 TRP A 83 -3.070 -20.737 2.846 1.00 61.30 N ATOM 1213 CE2 TRP A 83 -2.567 -20.202 3.996 1.00 63.54 C ATOM 1214 CE3 TRP A 83 -1.503 -18.161 4.680 1.00 31.31 C ATOM 1215 CZ2 TRP A 83 -2.507 -20.720 5.270 1.00 11.33 C ATOM 1216 CZ3 TRP A 83 -1.447 -18.668 5.959 1.00 42.31 C ATOM 1217 CH2 TRP A 83 -1.949 -19.943 6.241 1.00 11.14 C ATOM 0 H TRP A 83 -1.147 -18.767 -0.468 1.00 72.40 H new ATOM 0 HA TRP A 83 -3.584 -17.667 0.322 1.00 34.15 H new ATOM 0 HB2 TRP A 83 -0.812 -17.486 1.438 1.00 63.01 H new ATOM 0 HB3 TRP A 83 -2.147 -16.617 2.167 1.00 63.01 H new ATOM 0 HD1 TRP A 83 -3.248 -19.971 0.827 1.00 73.30 H new ATOM 0 HE1 TRP A 83 -3.490 -21.662 2.753 1.00 61.30 H new ATOM 0 HE3 TRP A 83 -1.108 -17.180 4.459 1.00 31.31 H new ATOM 0 HZ2 TRP A 83 -2.888 -21.706 5.492 1.00 11.33 H new ATOM 0 HZ3 TRP A 83 -1.012 -18.076 6.751 1.00 42.31 H new ATOM 0 HH2 TRP A 83 -1.893 -20.320 7.251 1.00 11.14 H new ATOM 1228 N ASN A 84 -1.355 -15.494 -0.707 1.00 2.25 N ATOM 1229 CA ASN A 84 -1.188 -14.153 -1.297 1.00 72.31 C ATOM 1230 C ASN A 84 -2.270 -13.898 -2.389 1.00 34.54 C ATOM 1231 O ASN A 84 -2.926 -12.842 -2.405 1.00 11.03 O ATOM 1232 CB ASN A 84 0.260 -14.007 -1.845 1.00 12.32 C ATOM 1233 CG ASN A 84 0.528 -12.741 -2.640 1.00 24.51 C ATOM 1234 OD1 ASN A 84 -0.058 -11.701 -2.411 1.00 42.31 O ATOM 1235 ND2 ASN A 84 1.441 -12.832 -3.581 1.00 42.00 N ATOM 0 H ASN A 84 -0.499 -16.048 -0.697 1.00 2.25 H new ATOM 0 HA ASN A 84 -1.333 -13.390 -0.532 1.00 72.31 H new ATOM 0 HB2 ASN A 84 0.954 -14.043 -1.005 1.00 12.32 H new ATOM 0 HB3 ASN A 84 0.480 -14.867 -2.477 1.00 12.32 H new ATOM 0 HD21 ASN A 84 1.676 -12.015 -4.144 1.00 42.00 H new ATOM 0 HD22 ASN A 84 1.915 -13.720 -3.748 1.00 42.00 H new ATOM 1242 N GLN A 85 -2.501 -14.903 -3.243 1.00 52.20 N ATOM 1243 CA GLN A 85 -3.570 -14.863 -4.256 1.00 24.43 C ATOM 1244 C GLN A 85 -4.932 -14.701 -3.555 1.00 5.23 C ATOM 1245 O GLN A 85 -5.725 -13.813 -3.895 1.00 34.21 O ATOM 1246 CB GLN A 85 -3.588 -16.165 -5.076 1.00 53.02 C ATOM 1247 CG GLN A 85 -2.289 -16.498 -5.788 1.00 10.02 C ATOM 1248 CD GLN A 85 -2.340 -17.851 -6.475 1.00 42.41 C ATOM 1249 OE1 GLN A 85 -3.386 -18.285 -6.938 1.00 30.13 O ATOM 1250 NE2 GLN A 85 -1.228 -18.543 -6.497 1.00 43.13 N ATOM 0 H GLN A 85 -1.956 -15.765 -3.254 1.00 52.20 H new ATOM 0 HA GLN A 85 -3.383 -14.022 -4.924 1.00 24.43 H new ATOM 0 HB2 GLN A 85 -3.841 -16.991 -4.411 1.00 53.02 H new ATOM 0 HB3 GLN A 85 -4.384 -16.097 -5.818 1.00 53.02 H new ATOM 0 HG2 GLN A 85 -2.074 -15.726 -6.526 1.00 10.02 H new ATOM 0 HG3 GLN A 85 -1.470 -16.489 -5.069 1.00 10.02 H new ATOM 0 HE21 GLN A 85 -0.374 -18.149 -6.101 1.00 43.13 H new ATOM 0 HE22 GLN A 85 -1.216 -19.476 -6.910 1.00 43.13 H new ATOM 1259 N LEU A 86 -5.166 -15.546 -2.545 1.00 44.45 N ATOM 1260 CA LEU A 86 -6.389 -15.544 -1.734 1.00 71.02 C ATOM 1261 C LEU A 86 -6.567 -14.208 -0.986 1.00 41.04 C ATOM 1262 O LEU A 86 -7.672 -13.801 -0.683 1.00 53.41 O ATOM 1263 CB LEU A 86 -6.347 -16.677 -0.677 1.00 61.32 C ATOM 1264 CG LEU A 86 -6.238 -18.132 -1.173 1.00 31.21 C ATOM 1265 CD1 LEU A 86 -6.154 -19.068 -0.002 1.00 72.32 C ATOM 1266 CD2 LEU A 86 -7.425 -18.533 -2.003 1.00 45.01 C ATOM 0 H LEU A 86 -4.498 -16.264 -2.263 1.00 44.45 H new ATOM 0 HA LEU A 86 -7.222 -15.694 -2.421 1.00 71.02 H new ATOM 0 HB2 LEU A 86 -5.501 -16.486 -0.017 1.00 61.32 H new ATOM 0 HB3 LEU A 86 -7.249 -16.599 -0.069 1.00 61.32 H new ATOM 0 HG LEU A 86 -5.339 -18.192 -1.787 1.00 31.21 H new ATOM 0 HD11 LEU A 86 -6.077 -20.094 -0.361 1.00 72.32 H new ATOM 0 HD12 LEU A 86 -5.275 -18.826 0.595 1.00 72.32 H new ATOM 0 HD13 LEU A 86 -7.049 -18.964 0.612 1.00 72.32 H new ATOM 0 HD21 LEU A 86 -7.307 -19.565 -2.332 1.00 45.01 H new ATOM 0 HD22 LEU A 86 -8.333 -18.444 -1.407 1.00 45.01 H new ATOM 0 HD23 LEU A 86 -7.497 -17.881 -2.874 1.00 45.01 H new ATOM 1278 N MET A 87 -5.481 -13.512 -0.754 1.00 11.13 N ATOM 1279 CA MET A 87 -5.494 -12.321 0.066 1.00 52.34 C ATOM 1280 C MET A 87 -5.940 -11.164 -0.733 1.00 73.24 C ATOM 1281 O MET A 87 -6.845 -10.436 -0.345 1.00 5.41 O ATOM 1282 CB MET A 87 -4.120 -12.033 0.674 1.00 10.12 C ATOM 1283 CG MET A 87 -3.706 -12.992 1.772 1.00 31.54 C ATOM 1284 SD MET A 87 -2.066 -12.635 2.421 1.00 60.15 S ATOM 1285 CE MET A 87 -2.300 -10.948 2.949 1.00 33.01 C ATOM 0 H MET A 87 -4.563 -13.753 -1.127 1.00 11.13 H new ATOM 0 HA MET A 87 -6.191 -12.493 0.886 1.00 52.34 H new ATOM 0 HB2 MET A 87 -3.372 -12.063 -0.119 1.00 10.12 H new ATOM 0 HB3 MET A 87 -4.119 -11.019 1.075 1.00 10.12 H new ATOM 0 HG2 MET A 87 -4.432 -12.944 2.584 1.00 31.54 H new ATOM 0 HG3 MET A 87 -3.726 -14.011 1.386 1.00 31.54 H new ATOM 0 HE1 MET A 87 -1.704 -10.760 3.842 1.00 33.01 H new ATOM 0 HE2 MET A 87 -1.986 -10.271 2.154 1.00 33.01 H new ATOM 0 HE3 MET A 87 -3.353 -10.780 3.173 1.00 33.01 H new ATOM 1295 N LEU A 88 -5.338 -11.016 -1.868 1.00 52.13 N ATOM 1296 CA LEU A 88 -5.654 -9.988 -2.761 1.00 21.05 C ATOM 1297 C LEU A 88 -7.065 -10.183 -3.318 1.00 24.11 C ATOM 1298 O LEU A 88 -7.862 -9.254 -3.337 1.00 40.22 O ATOM 1299 CB LEU A 88 -4.602 -9.981 -3.857 1.00 60.32 C ATOM 1300 CG LEU A 88 -5.043 -9.446 -5.170 1.00 44.30 C ATOM 1301 CD1 LEU A 88 -5.368 -7.943 -5.096 1.00 5.44 C ATOM 1302 CD2 LEU A 88 -4.041 -9.738 -6.249 1.00 40.12 C ATOM 0 H LEU A 88 -4.594 -11.633 -2.194 1.00 52.13 H new ATOM 0 HA LEU A 88 -5.649 -9.021 -2.258 1.00 21.05 H new ATOM 0 HB2 LEU A 88 -3.750 -9.394 -3.514 1.00 60.32 H new ATOM 0 HB3 LEU A 88 -4.248 -11.002 -4.002 1.00 60.32 H new ATOM 0 HG LEU A 88 -5.966 -9.963 -5.432 1.00 44.30 H new ATOM 0 HD11 LEU A 88 -5.687 -7.591 -6.077 1.00 5.44 H new ATOM 0 HD12 LEU A 88 -6.168 -7.779 -4.374 1.00 5.44 H new ATOM 0 HD13 LEU A 88 -4.480 -7.394 -4.784 1.00 5.44 H new ATOM 0 HD21 LEU A 88 -4.397 -9.332 -7.196 1.00 40.12 H new ATOM 0 HD22 LEU A 88 -3.086 -9.278 -5.993 1.00 40.12 H new ATOM 0 HD23 LEU A 88 -3.911 -10.816 -6.343 1.00 40.12 H new ATOM 1314 N SER A 89 -7.385 -11.401 -3.686 1.00 5.41 N ATOM 1315 CA SER A 89 -8.662 -11.686 -4.296 1.00 51.34 C ATOM 1316 C SER A 89 -9.825 -11.618 -3.276 1.00 31.43 C ATOM 1317 O SER A 89 -10.990 -11.716 -3.648 1.00 43.10 O ATOM 1318 CB SER A 89 -8.619 -13.054 -4.971 1.00 44.33 C ATOM 1319 OG SER A 89 -7.515 -13.139 -5.860 1.00 2.13 O ATOM 0 H SER A 89 -6.777 -12.212 -3.573 1.00 5.41 H new ATOM 0 HA SER A 89 -8.852 -10.918 -5.045 1.00 51.34 H new ATOM 0 HB2 SER A 89 -8.545 -13.836 -4.215 1.00 44.33 H new ATOM 0 HB3 SER A 89 -9.547 -13.225 -5.517 1.00 44.33 H new ATOM 0 HG SER A 89 -6.712 -13.396 -5.361 1.00 2.13 H new