USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=11 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 85 GLN : amide:sc=-0.00833 K(o=1.2,f=0.69) USER MOD Set 1.2: A 89 SER OG : rot 67:sc= 1.24 USER MOD Set 2.1: A 64 LYS NZ :NH3+ 134:sc= 0.452 (180deg=-0.193) USER MOD Set 2.2: A 65 ASN : amide:sc= 1.3 K(o=1.8,f=-6.4) USER MOD Set 3.1: A 44 ASN : amide:sc= 0.0571 K(o=0.14,f=-5.5!) USER MOD Set 3.2: A 47 GLN : amide:sc= 0.0799 K(o=0.14,f=-5.5) USER MOD Set 4.1: A 40 HIS : no HD1:sc= -2.17 K(o=-2.6,f=-6.4!) USER MOD Set 4.2: A 43 SER OG : rot 180:sc= -0.398 USER MOD Set 5.1: A 35 THR OG1 : rot -67:sc= 0.213 USER MOD Set 5.2: A 38 GLN : amide:sc= -0.201 K(o=0.012,f=-2.5) USER MOD Set 6.1: A 17 HIS : no HD1:sc= 0.96 K(o=2.3,f=-6.9!) USER MOD Set 6.2: A 67 TYR OH : rot 46:sc= 1.33 USER MOD Set 6.3: A 87 MET CE :methyl 168:sc= -0.03 (180deg=-0.287) USER MOD Single : A 21 TYR OH : rot -157:sc= 2.06 USER MOD Single : A 22 GLN : amide:sc= 0.875 K(o=0.88,f=-1.3) USER MOD Single : A 23 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.69) USER MOD Single : A 30 GLN : amide:sc= -0.218 K(o=-0.22,f=-3.3!) USER MOD Single : A 33 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.04) USER MOD Single : A 37 GLN : amide:sc= -0.564 K(o=-0.56,f=-1.6) USER MOD Single : A 56 MET CE :methyl 151:sc= -0.777 (180deg=-2.89!) USER MOD Single : A 60 HIS : no HD1:sc= -0.181 K(o=-0.18,f=-3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.365 USER MOD Single : A 84 ASN : amide:sc= 0.475 K(o=0.47,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -3.170 -5.033 -1.813 1.00 73.14 N ATOM 52 CA HIS A 17 -3.828 -5.379 -0.527 1.00 13.54 C ATOM 53 C HIS A 17 -3.148 -6.586 0.021 1.00 1.51 C ATOM 54 O HIS A 17 -3.136 -6.841 1.207 1.00 13.11 O ATOM 55 CB HIS A 17 -5.329 -5.591 -0.680 1.00 14.30 C ATOM 56 CG HIS A 17 -6.116 -5.193 0.538 1.00 33.22 C ATOM 57 ND1 HIS A 17 -6.285 -5.970 1.661 1.00 74.13 N ATOM 58 CD2 HIS A 17 -6.795 -4.049 0.778 1.00 71.11 C ATOM 59 CE1 HIS A 17 -7.050 -5.291 2.523 1.00 50.23 C ATOM 60 NE2 HIS A 17 -7.385 -4.115 2.031 1.00 12.22 N ATOM 0 HA HIS A 17 -3.728 -4.546 0.169 1.00 13.54 H new ATOM 0 HB2 HIS A 17 -5.684 -5.017 -1.536 1.00 14.30 H new ATOM 0 HB3 HIS A 17 -5.520 -6.642 -0.899 1.00 14.30 H new ATOM 0 HD2 HIS A 17 -6.867 -3.213 0.099 1.00 71.11 H new ATOM 0 HE1 HIS A 17 -7.353 -5.657 3.493 1.00 50.23 H new ATOM 0 HE2 HIS A 17 -7.959 -3.401 2.479 1.00 12.22 H new ATOM 68 N ALA A 18 -2.515 -7.283 -0.869 1.00 23.33 N ATOM 69 CA ALA A 18 -1.697 -8.377 -0.536 1.00 14.42 C ATOM 70 C ALA A 18 -0.451 -7.886 0.201 1.00 43.25 C ATOM 71 O ALA A 18 0.265 -8.650 0.718 1.00 22.00 O ATOM 72 CB ALA A 18 -1.392 -9.233 -1.725 1.00 51.31 C ATOM 0 H ALA A 18 -2.562 -7.092 -1.870 1.00 23.33 H new ATOM 0 HA ALA A 18 -2.240 -9.032 0.146 1.00 14.42 H new ATOM 0 HB1 ALA A 18 -0.758 -10.066 -1.421 1.00 51.31 H new ATOM 0 HB2 ALA A 18 -2.322 -9.619 -2.144 1.00 51.31 H new ATOM 0 HB3 ALA A 18 -0.874 -8.639 -2.478 1.00 51.31 H new ATOM 78 N ALA A 19 -0.159 -6.572 0.166 1.00 33.21 N ATOM 79 CA ALA A 19 0.960 -6.019 0.958 1.00 45.22 C ATOM 80 C ALA A 19 0.775 -6.312 2.451 1.00 53.20 C ATOM 81 O ALA A 19 1.730 -6.297 3.201 1.00 72.11 O ATOM 82 CB ALA A 19 1.126 -4.528 0.748 1.00 4.32 C ATOM 0 H ALA A 19 -0.669 -5.885 -0.389 1.00 33.21 H new ATOM 0 HA ALA A 19 1.865 -6.513 0.605 1.00 45.22 H new ATOM 0 HB1 ALA A 19 1.960 -4.166 1.350 1.00 4.32 H new ATOM 0 HB2 ALA A 19 1.325 -4.329 -0.305 1.00 4.32 H new ATOM 0 HB3 ALA A 19 0.213 -4.014 1.048 1.00 4.32 H new ATOM 88 N ASP A 20 -0.460 -6.578 2.859 1.00 31.32 N ATOM 89 CA ASP A 20 -0.770 -7.002 4.233 1.00 42.33 C ATOM 90 C ASP A 20 -0.120 -8.381 4.474 1.00 72.40 C ATOM 91 O ASP A 20 0.375 -8.689 5.564 1.00 74.21 O ATOM 92 CB ASP A 20 -2.303 -7.047 4.410 1.00 73.13 C ATOM 93 CG ASP A 20 -2.787 -7.475 5.785 1.00 33.55 C ATOM 94 OD1 ASP A 20 -2.301 -6.940 6.793 1.00 75.00 O ATOM 95 OD2 ASP A 20 -3.688 -8.350 5.851 1.00 2.43 O ATOM 0 H ASP A 20 -1.278 -6.508 2.254 1.00 31.32 H new ATOM 0 HA ASP A 20 -0.371 -6.301 4.966 1.00 42.33 H new ATOM 0 HB2 ASP A 20 -2.706 -6.058 4.193 1.00 73.13 H new ATOM 0 HB3 ASP A 20 -2.718 -7.730 3.668 1.00 73.13 H new ATOM 100 N TYR A 21 -0.007 -9.159 3.373 1.00 63.20 N ATOM 101 CA TYR A 21 0.655 -10.510 3.391 1.00 14.44 C ATOM 102 C TYR A 21 2.112 -10.393 3.778 1.00 33.34 C ATOM 103 O TYR A 21 2.705 -11.357 4.241 1.00 32.41 O ATOM 104 CB TYR A 21 0.540 -11.261 2.014 1.00 44.34 C ATOM 105 CG TYR A 21 1.873 -11.540 1.258 1.00 14.55 C ATOM 106 CD1 TYR A 21 2.478 -10.569 0.462 1.00 40.41 C ATOM 107 CD2 TYR A 21 2.494 -12.782 1.333 1.00 72.45 C ATOM 108 CE1 TYR A 21 3.648 -10.824 -0.219 1.00 11.31 C ATOM 109 CE2 TYR A 21 3.656 -13.048 0.654 1.00 44.02 C ATOM 110 CZ TYR A 21 4.233 -12.062 -0.125 1.00 72.44 C ATOM 111 OH TYR A 21 5.417 -12.309 -0.796 1.00 41.45 O ATOM 0 H TYR A 21 -0.361 -8.886 2.456 1.00 63.20 H new ATOM 0 HA TYR A 21 0.122 -11.099 4.138 1.00 14.44 H new ATOM 0 HB2 TYR A 21 0.040 -12.214 2.187 1.00 44.34 H new ATOM 0 HB3 TYR A 21 -0.107 -10.676 1.360 1.00 44.34 H new ATOM 0 HD1 TYR A 21 2.019 -9.595 0.377 1.00 40.41 H new ATOM 0 HD2 TYR A 21 2.050 -13.557 1.941 1.00 72.45 H new ATOM 0 HE1 TYR A 21 4.103 -10.053 -0.824 1.00 11.31 H new ATOM 0 HE2 TYR A 21 4.117 -14.022 0.727 1.00 44.02 H new ATOM 0 HH TYR A 21 5.515 -13.273 -0.942 1.00 41.45 H new ATOM 121 N GLN A 22 2.679 -9.206 3.582 1.00 30.13 N ATOM 122 CA GLN A 22 4.080 -8.956 3.869 1.00 71.11 C ATOM 123 C GLN A 22 4.357 -9.282 5.319 1.00 72.32 C ATOM 124 O GLN A 22 5.281 -10.025 5.647 1.00 51.13 O ATOM 125 CB GLN A 22 4.410 -7.490 3.659 1.00 23.40 C ATOM 126 CG GLN A 22 5.875 -7.215 3.758 1.00 3.11 C ATOM 127 CD GLN A 22 6.590 -7.488 2.449 1.00 13.53 C ATOM 128 OE1 GLN A 22 6.028 -7.266 1.345 1.00 35.04 O ATOM 129 NE2 GLN A 22 7.751 -8.036 2.525 1.00 23.10 N ATOM 0 H GLN A 22 2.178 -8.395 3.220 1.00 30.13 H new ATOM 0 HA GLN A 22 4.683 -9.574 3.203 1.00 71.11 H new ATOM 0 HB2 GLN A 22 4.050 -7.176 2.679 1.00 23.40 H new ATOM 0 HB3 GLN A 22 3.880 -6.892 4.400 1.00 23.40 H new ATOM 0 HG2 GLN A 22 6.031 -6.176 4.047 1.00 3.11 H new ATOM 0 HG3 GLN A 22 6.308 -7.833 4.544 1.00 3.11 H new ATOM 0 HE21 GLN A 22 8.178 -8.202 3.436 1.00 23.10 H new ATOM 0 HE22 GLN A 22 8.245 -8.305 1.674 1.00 23.10 H new ATOM 138 N GLN A 23 3.500 -8.757 6.173 1.00 5.04 N ATOM 139 CA GLN A 23 3.651 -8.929 7.596 1.00 54.54 C ATOM 140 C GLN A 23 3.416 -10.386 7.974 1.00 63.52 C ATOM 141 O GLN A 23 4.096 -10.934 8.838 1.00 23.50 O ATOM 142 CB GLN A 23 2.689 -8.016 8.360 1.00 4.00 C ATOM 143 CG GLN A 23 2.942 -6.527 8.159 1.00 34.22 C ATOM 144 CD GLN A 23 4.328 -6.093 8.617 1.00 32.21 C ATOM 145 OE1 GLN A 23 4.902 -6.661 9.530 1.00 70.44 O ATOM 146 NE2 GLN A 23 4.866 -5.078 7.989 1.00 44.44 N ATOM 0 H GLN A 23 2.688 -8.205 5.899 1.00 5.04 H new ATOM 0 HA GLN A 23 4.669 -8.653 7.871 1.00 54.54 H new ATOM 0 HB2 GLN A 23 1.669 -8.244 8.051 1.00 4.00 H new ATOM 0 HB3 GLN A 23 2.759 -8.244 9.424 1.00 4.00 H new ATOM 0 HG2 GLN A 23 2.821 -6.282 7.104 1.00 34.22 H new ATOM 0 HG3 GLN A 23 2.190 -5.959 8.706 1.00 34.22 H new ATOM 0 HE21 GLN A 23 4.361 -4.623 7.229 1.00 44.44 H new ATOM 0 HE22 GLN A 23 5.790 -4.742 8.260 1.00 44.44 H new ATOM 155 N LEU A 24 2.447 -10.999 7.307 1.00 42.43 N ATOM 156 CA LEU A 24 2.143 -12.414 7.477 1.00 72.51 C ATOM 157 C LEU A 24 3.366 -13.246 7.185 1.00 13.32 C ATOM 158 O LEU A 24 3.773 -14.067 7.997 1.00 32.33 O ATOM 159 CB LEU A 24 1.030 -12.839 6.516 1.00 71.22 C ATOM 160 CG LEU A 24 0.744 -14.336 6.477 1.00 71.31 C ATOM 161 CD1 LEU A 24 0.095 -14.813 7.743 1.00 12.24 C ATOM 162 CD2 LEU A 24 -0.067 -14.724 5.278 1.00 45.34 C ATOM 0 H LEU A 24 1.847 -10.527 6.630 1.00 42.43 H new ATOM 0 HA LEU A 24 1.822 -12.569 8.507 1.00 72.51 H new ATOM 0 HB2 LEU A 24 0.114 -12.317 6.793 1.00 71.22 H new ATOM 0 HB3 LEU A 24 1.294 -12.509 5.511 1.00 71.22 H new ATOM 0 HG LEU A 24 1.710 -14.834 6.392 1.00 71.31 H new ATOM 0 HD11 LEU A 24 -0.092 -15.885 7.675 1.00 12.24 H new ATOM 0 HD12 LEU A 24 0.754 -14.613 8.588 1.00 12.24 H new ATOM 0 HD13 LEU A 24 -0.849 -14.288 7.888 1.00 12.24 H new ATOM 0 HD21 LEU A 24 -0.246 -15.799 5.292 1.00 45.34 H new ATOM 0 HD22 LEU A 24 -1.021 -14.197 5.298 1.00 45.34 H new ATOM 0 HD23 LEU A 24 0.475 -14.459 4.371 1.00 45.34 H new ATOM 174 N ARG A 25 3.945 -12.989 6.041 1.00 65.21 N ATOM 175 CA ARG A 25 5.059 -13.712 5.522 1.00 21.21 C ATOM 176 C ARG A 25 6.228 -13.663 6.481 1.00 1.00 C ATOM 177 O ARG A 25 6.698 -14.707 6.953 1.00 21.55 O ATOM 178 CB ARG A 25 5.442 -13.113 4.192 1.00 13.43 C ATOM 179 CG ARG A 25 6.299 -13.997 3.352 1.00 2.13 C ATOM 180 CD ARG A 25 6.673 -13.302 2.085 1.00 73.25 C ATOM 181 NE ARG A 25 7.586 -12.197 2.346 1.00 32.31 N ATOM 182 CZ ARG A 25 8.240 -11.501 1.442 1.00 2.30 C ATOM 183 NH1 ARG A 25 7.918 -11.595 0.142 1.00 4.03 N ATOM 184 NH2 ARG A 25 9.156 -10.629 1.853 1.00 61.21 N ATOM 0 H ARG A 25 3.634 -12.237 5.426 1.00 65.21 H new ATOM 0 HA ARG A 25 4.785 -14.759 5.392 1.00 21.21 H new ATOM 0 HB2 ARG A 25 4.534 -12.872 3.639 1.00 13.43 H new ATOM 0 HB3 ARG A 25 5.967 -12.174 4.366 1.00 13.43 H new ATOM 0 HG2 ARG A 25 7.198 -14.273 3.903 1.00 2.13 H new ATOM 0 HG3 ARG A 25 5.768 -14.921 3.125 1.00 2.13 H new ATOM 0 HD2 ARG A 25 7.140 -14.011 1.401 1.00 73.25 H new ATOM 0 HD3 ARG A 25 5.775 -12.928 1.592 1.00 73.25 H new ATOM 0 HE ARG A 25 7.732 -11.939 3.322 1.00 32.31 H new ATOM 0 HH11 ARG A 25 7.160 -12.211 -0.152 1.00 4.03 H new ATOM 0 HH12 ARG A 25 8.432 -11.051 -0.551 1.00 4.03 H new ATOM 0 HH21 ARG A 25 9.338 -10.512 2.850 1.00 61.21 H new ATOM 0 HH22 ARG A 25 9.677 -10.077 1.171 1.00 61.21 H new ATOM 198 N GLU A 26 6.640 -12.460 6.812 1.00 54.05 N ATOM 199 CA GLU A 26 7.740 -12.244 7.709 1.00 73.40 C ATOM 200 C GLU A 26 7.502 -12.813 9.108 1.00 44.44 C ATOM 201 O GLU A 26 8.433 -13.301 9.762 1.00 24.21 O ATOM 202 CB GLU A 26 8.141 -10.777 7.744 1.00 34.23 C ATOM 203 CG GLU A 26 9.203 -10.418 6.688 1.00 12.43 C ATOM 204 CD GLU A 26 8.773 -10.543 5.221 1.00 23.14 C ATOM 205 OE1 GLU A 26 8.536 -11.662 4.745 1.00 43.23 O ATOM 206 OE2 GLU A 26 8.751 -9.522 4.500 1.00 24.04 O ATOM 0 H GLU A 26 6.215 -11.602 6.461 1.00 54.05 H new ATOM 0 HA GLU A 26 8.582 -12.809 7.308 1.00 73.40 H new ATOM 0 HB2 GLU A 26 7.256 -10.160 7.586 1.00 34.23 H new ATOM 0 HB3 GLU A 26 8.525 -10.535 8.735 1.00 34.23 H new ATOM 0 HG2 GLU A 26 9.526 -9.392 6.863 1.00 12.43 H new ATOM 0 HG3 GLU A 26 10.072 -11.057 6.845 1.00 12.43 H new ATOM 213 N ARG A 27 6.253 -12.813 9.559 1.00 41.23 N ATOM 214 CA ARG A 27 5.950 -13.345 10.844 1.00 14.23 C ATOM 215 C ARG A 27 5.915 -14.881 10.786 1.00 2.33 C ATOM 216 O ARG A 27 6.255 -15.549 11.758 1.00 11.14 O ATOM 217 CB ARG A 27 4.648 -12.736 11.372 1.00 41.13 C ATOM 218 CG ARG A 27 4.468 -12.921 12.862 1.00 23.14 C ATOM 219 CD ARG A 27 3.823 -14.234 13.205 1.00 72.23 C ATOM 220 NE ARG A 27 3.934 -14.575 14.620 1.00 65.11 N ATOM 221 CZ ARG A 27 3.610 -15.779 15.095 1.00 51.31 C ATOM 222 NH1 ARG A 27 2.853 -16.582 14.372 1.00 31.32 N ATOM 223 NH2 ARG A 27 3.982 -16.162 16.313 1.00 42.01 N ATOM 0 H ARG A 27 5.452 -12.449 9.044 1.00 41.23 H new ATOM 0 HA ARG A 27 6.734 -13.075 11.551 1.00 14.23 H new ATOM 0 HB2 ARG A 27 4.631 -11.671 11.140 1.00 41.13 H new ATOM 0 HB3 ARG A 27 3.805 -13.189 10.851 1.00 41.13 H new ATOM 0 HG2 ARG A 27 5.439 -12.858 13.353 1.00 23.14 H new ATOM 0 HG3 ARG A 27 3.859 -12.107 13.255 1.00 23.14 H new ATOM 0 HD2 ARG A 27 2.769 -14.198 12.928 1.00 72.23 H new ATOM 0 HD3 ARG A 27 4.282 -15.024 12.610 1.00 72.23 H new ATOM 0 HE ARG A 27 4.272 -13.866 15.270 1.00 65.11 H new ATOM 0 HH11 ARG A 27 2.519 -16.281 13.456 1.00 31.32 H new ATOM 0 HH12 ARG A 27 2.601 -17.504 14.729 1.00 31.32 H new ATOM 0 HH21 ARG A 27 4.525 -15.531 16.902 1.00 42.01 H new ATOM 0 HH22 ARG A 27 3.724 -17.087 16.658 1.00 42.01 H new ATOM 237 N LEU A 28 5.540 -15.427 9.635 1.00 43.13 N ATOM 238 CA LEU A 28 5.507 -16.878 9.431 1.00 74.25 C ATOM 239 C LEU A 28 6.901 -17.433 9.416 1.00 21.30 C ATOM 240 O LEU A 28 7.158 -18.457 10.012 1.00 4.44 O ATOM 241 CB LEU A 28 4.764 -17.256 8.145 1.00 24.21 C ATOM 242 CG LEU A 28 3.243 -17.135 8.196 1.00 14.32 C ATOM 243 CD1 LEU A 28 2.648 -17.327 6.838 1.00 72.42 C ATOM 244 CD2 LEU A 28 2.671 -18.169 9.111 1.00 11.13 C ATOM 0 H LEU A 28 5.252 -14.885 8.820 1.00 43.13 H new ATOM 0 HA LEU A 28 4.959 -17.317 10.265 1.00 74.25 H new ATOM 0 HB2 LEU A 28 5.133 -16.625 7.336 1.00 24.21 H new ATOM 0 HB3 LEU A 28 5.019 -18.284 7.889 1.00 24.21 H new ATOM 0 HG LEU A 28 3.004 -16.136 8.562 1.00 14.32 H new ATOM 0 HD11 LEU A 28 1.564 -17.236 6.900 1.00 72.42 H new ATOM 0 HD12 LEU A 28 3.038 -16.568 6.159 1.00 72.42 H new ATOM 0 HD13 LEU A 28 2.909 -18.317 6.463 1.00 72.42 H new ATOM 0 HD21 LEU A 28 1.586 -18.071 9.138 1.00 11.13 H new ATOM 0 HD22 LEU A 28 2.937 -19.162 8.749 1.00 11.13 H new ATOM 0 HD23 LEU A 28 3.073 -18.029 10.115 1.00 11.13 H new ATOM 256 N ILE A 29 7.786 -16.728 8.746 1.00 4.33 N ATOM 257 CA ILE A 29 9.212 -17.046 8.702 1.00 4.12 C ATOM 258 C ILE A 29 9.752 -17.245 10.125 1.00 70.44 C ATOM 259 O ILE A 29 10.334 -18.279 10.438 1.00 60.41 O ATOM 260 CB ILE A 29 9.956 -15.879 7.988 1.00 51.20 C ATOM 261 CG1 ILE A 29 9.649 -15.900 6.479 1.00 71.30 C ATOM 262 CG2 ILE A 29 11.447 -15.886 8.268 1.00 14.23 C ATOM 263 CD1 ILE A 29 10.234 -14.741 5.703 1.00 13.13 C ATOM 0 H ILE A 29 7.538 -15.900 8.204 1.00 4.33 H new ATOM 0 HA ILE A 29 9.374 -17.972 8.150 1.00 4.12 H new ATOM 0 HB ILE A 29 9.583 -14.941 8.399 1.00 51.20 H new ATOM 0 HG12 ILE A 29 10.028 -16.831 6.057 1.00 71.30 H new ATOM 0 HG13 ILE A 29 8.568 -15.904 6.341 1.00 71.30 H new ATOM 0 HG21 ILE A 29 11.919 -15.053 7.747 1.00 14.23 H new ATOM 0 HG22 ILE A 29 11.616 -15.787 9.340 1.00 14.23 H new ATOM 0 HG23 ILE A 29 11.879 -16.824 7.918 1.00 14.23 H new ATOM 0 HD11 ILE A 29 9.968 -14.837 4.650 1.00 13.13 H new ATOM 0 HD12 ILE A 29 9.837 -13.804 6.094 1.00 13.13 H new ATOM 0 HD13 ILE A 29 11.319 -14.746 5.805 1.00 13.13 H new ATOM 275 N GLN A 30 9.471 -16.290 10.985 1.00 73.31 N ATOM 276 CA GLN A 30 9.927 -16.342 12.357 1.00 24.24 C ATOM 277 C GLN A 30 9.196 -17.422 13.176 1.00 53.13 C ATOM 278 O GLN A 30 9.797 -18.077 14.013 1.00 1.22 O ATOM 279 CB GLN A 30 9.779 -14.978 13.008 1.00 74.45 C ATOM 280 CG GLN A 30 10.632 -13.895 12.364 1.00 13.31 C ATOM 281 CD GLN A 30 12.111 -14.237 12.340 1.00 61.21 C ATOM 282 OE1 GLN A 30 12.609 -14.820 11.399 1.00 30.43 O ATOM 283 NE2 GLN A 30 12.819 -13.880 13.381 1.00 64.41 N ATOM 0 H GLN A 30 8.924 -15.461 10.755 1.00 73.31 H new ATOM 0 HA GLN A 30 10.981 -16.619 12.343 1.00 24.24 H new ATOM 0 HB2 GLN A 30 8.732 -14.677 12.965 1.00 74.45 H new ATOM 0 HB3 GLN A 30 10.045 -15.058 14.062 1.00 74.45 H new ATOM 0 HG2 GLN A 30 10.287 -13.728 11.344 1.00 13.31 H new ATOM 0 HG3 GLN A 30 10.490 -12.960 12.905 1.00 13.31 H new ATOM 0 HE21 GLN A 30 12.373 -13.391 14.157 1.00 64.41 H new ATOM 0 HE22 GLN A 30 13.816 -14.091 13.416 1.00 64.41 H new ATOM 292 N GLU A 31 7.904 -17.603 12.908 1.00 22.43 N ATOM 293 CA GLU A 31 7.067 -18.606 13.600 1.00 51.22 C ATOM 294 C GLU A 31 7.559 -20.028 13.302 1.00 2.44 C ATOM 295 O GLU A 31 7.609 -20.886 14.179 1.00 41.10 O ATOM 296 CB GLU A 31 5.608 -18.468 13.125 1.00 43.12 C ATOM 297 CG GLU A 31 4.635 -19.500 13.695 1.00 14.20 C ATOM 298 CD GLU A 31 4.315 -19.316 15.168 1.00 31.05 C ATOM 299 OE1 GLU A 31 5.134 -19.619 16.024 1.00 74.10 O ATOM 300 OE2 GLU A 31 3.171 -18.903 15.477 1.00 0.12 O ATOM 0 H GLU A 31 7.399 -17.062 12.206 1.00 22.43 H new ATOM 0 HA GLU A 31 7.134 -18.430 14.674 1.00 51.22 H new ATOM 0 HB2 GLU A 31 5.251 -17.472 13.387 1.00 43.12 H new ATOM 0 HB3 GLU A 31 5.589 -18.537 12.037 1.00 43.12 H new ATOM 0 HG2 GLU A 31 3.706 -19.458 13.126 1.00 14.20 H new ATOM 0 HG3 GLU A 31 5.054 -20.496 13.549 1.00 14.20 H new ATOM 307 N LEU A 32 7.929 -20.256 12.060 1.00 42.33 N ATOM 308 CA LEU A 32 8.364 -21.567 11.613 1.00 35.12 C ATOM 309 C LEU A 32 9.843 -21.786 11.933 1.00 41.33 C ATOM 310 O LEU A 32 10.386 -22.856 11.656 1.00 64.25 O ATOM 311 CB LEU A 32 8.152 -21.697 10.105 1.00 64.20 C ATOM 312 CG LEU A 32 6.744 -21.405 9.560 1.00 11.42 C ATOM 313 CD1 LEU A 32 6.756 -21.497 8.066 1.00 14.42 C ATOM 314 CD2 LEU A 32 5.691 -22.347 10.128 1.00 42.23 C ATOM 0 H LEU A 32 7.938 -19.542 11.332 1.00 42.33 H new ATOM 0 HA LEU A 32 7.774 -22.319 12.137 1.00 35.12 H new ATOM 0 HB2 LEU A 32 8.852 -21.025 9.607 1.00 64.20 H new ATOM 0 HB3 LEU A 32 8.422 -22.712 9.813 1.00 64.20 H new ATOM 0 HG LEU A 32 6.475 -20.396 9.874 1.00 11.42 H new ATOM 0 HD11 LEU A 32 5.758 -21.290 7.681 1.00 14.42 H new ATOM 0 HD12 LEU A 32 7.459 -20.769 7.662 1.00 14.42 H new ATOM 0 HD13 LEU A 32 7.060 -22.500 7.766 1.00 14.42 H new ATOM 0 HD21 LEU A 32 4.716 -22.097 9.710 1.00 42.23 H new ATOM 0 HD22 LEU A 32 5.944 -23.375 9.868 1.00 42.23 H new ATOM 0 HD23 LEU A 32 5.658 -22.244 11.213 1.00 42.23 H new ATOM 326 N ASN A 33 10.482 -20.750 12.517 1.00 24.24 N ATOM 327 CA ASN A 33 11.924 -20.753 12.854 1.00 55.30 C ATOM 328 C ASN A 33 12.722 -20.947 11.550 1.00 70.50 C ATOM 329 O ASN A 33 13.711 -21.690 11.471 1.00 62.22 O ATOM 330 CB ASN A 33 12.238 -21.868 13.893 1.00 5.31 C ATOM 331 CG ASN A 33 13.618 -21.744 14.559 1.00 52.14 C ATOM 332 OD1 ASN A 33 13.765 -21.118 15.601 1.00 41.34 O ATOM 333 ND2 ASN A 33 14.626 -22.331 13.969 1.00 73.42 N ATOM 0 H ASN A 33 10.010 -19.882 12.770 1.00 24.24 H new ATOM 0 HA ASN A 33 12.210 -19.806 13.312 1.00 55.30 H new ATOM 0 HB2 ASN A 33 11.471 -21.852 14.668 1.00 5.31 H new ATOM 0 HB3 ASN A 33 12.172 -22.837 13.399 1.00 5.31 H new ATOM 0 HD21 ASN A 33 15.559 -22.273 14.376 1.00 73.42 H new ATOM 0 HD22 ASN A 33 14.479 -22.847 13.101 1.00 73.42 H new ATOM 340 N LEU A 34 12.286 -20.246 10.538 1.00 54.53 N ATOM 341 CA LEU A 34 12.844 -20.346 9.224 1.00 30.14 C ATOM 342 C LEU A 34 13.458 -19.032 8.785 1.00 54.14 C ATOM 343 O LEU A 34 13.431 -18.055 9.517 1.00 1.01 O ATOM 344 CB LEU A 34 11.770 -20.823 8.234 1.00 33.24 C ATOM 345 CG LEU A 34 11.362 -22.303 8.350 1.00 71.23 C ATOM 346 CD1 LEU A 34 10.371 -22.682 7.275 1.00 22.32 C ATOM 347 CD2 LEU A 34 12.577 -23.218 8.300 1.00 53.42 C ATOM 0 H LEU A 34 11.518 -19.578 10.609 1.00 54.53 H new ATOM 0 HA LEU A 34 13.647 -21.082 9.243 1.00 30.14 H new ATOM 0 HB2 LEU A 34 10.880 -20.209 8.369 1.00 33.24 H new ATOM 0 HB3 LEU A 34 12.131 -20.643 7.221 1.00 33.24 H new ATOM 0 HG LEU A 34 10.881 -22.432 9.319 1.00 71.23 H new ATOM 0 HD11 LEU A 34 10.102 -23.733 7.383 1.00 22.32 H new ATOM 0 HD12 LEU A 34 9.477 -22.066 7.371 1.00 22.32 H new ATOM 0 HD13 LEU A 34 10.819 -22.521 6.294 1.00 22.32 H new ATOM 0 HD21 LEU A 34 12.255 -24.256 8.384 1.00 53.42 H new ATOM 0 HD22 LEU A 34 13.100 -23.076 7.354 1.00 53.42 H new ATOM 0 HD23 LEU A 34 13.247 -22.978 9.125 1.00 53.42 H new ATOM 359 N THR A 35 14.032 -19.018 7.605 1.00 60.42 N ATOM 360 CA THR A 35 14.650 -17.831 7.079 1.00 45.54 C ATOM 361 C THR A 35 13.969 -17.439 5.748 1.00 41.23 C ATOM 362 O THR A 35 13.422 -18.305 5.071 1.00 32.04 O ATOM 363 CB THR A 35 16.174 -18.055 6.888 1.00 15.34 C ATOM 364 OG1 THR A 35 16.392 -19.195 6.062 1.00 50.10 O ATOM 365 CG2 THR A 35 16.860 -18.277 8.228 1.00 1.34 C ATOM 0 H THR A 35 14.082 -19.828 6.987 1.00 60.42 H new ATOM 0 HA THR A 35 14.522 -17.012 7.786 1.00 45.54 H new ATOM 0 HB THR A 35 16.593 -17.166 6.418 1.00 15.34 H new ATOM 0 HG1 THR A 35 16.101 -20.002 6.535 1.00 50.10 H new ATOM 0 HG21 THR A 35 17.927 -18.432 8.069 1.00 1.34 H new ATOM 0 HG22 THR A 35 16.710 -17.403 8.862 1.00 1.34 H new ATOM 0 HG23 THR A 35 16.434 -19.155 8.714 1.00 1.34 H new ATOM 373 N PRO A 36 14.004 -16.137 5.350 1.00 41.14 N ATOM 374 CA PRO A 36 13.294 -15.618 4.134 1.00 0.54 C ATOM 375 C PRO A 36 13.675 -16.287 2.796 1.00 13.50 C ATOM 376 O PRO A 36 12.955 -16.164 1.820 1.00 62.03 O ATOM 377 CB PRO A 36 13.684 -14.134 4.102 1.00 30.34 C ATOM 378 CG PRO A 36 14.067 -13.805 5.501 1.00 3.22 C ATOM 379 CD PRO A 36 14.700 -15.044 6.063 1.00 11.23 C ATOM 0 HA PRO A 36 12.227 -15.824 4.219 1.00 0.54 H new ATOM 0 HB2 PRO A 36 14.512 -13.958 3.415 1.00 30.34 H new ATOM 0 HB3 PRO A 36 12.853 -13.515 3.765 1.00 30.34 H new ATOM 0 HG2 PRO A 36 14.762 -12.966 5.527 1.00 3.22 H new ATOM 0 HG3 PRO A 36 13.194 -13.514 6.086 1.00 3.22 H new ATOM 0 HD2 PRO A 36 15.774 -15.065 5.880 1.00 11.23 H new ATOM 0 HD3 PRO A 36 14.559 -15.114 7.142 1.00 11.23 H new ATOM 387 N GLN A 37 14.804 -16.950 2.750 1.00 22.43 N ATOM 388 CA GLN A 37 15.236 -17.608 1.519 1.00 45.03 C ATOM 389 C GLN A 37 14.883 -19.086 1.558 1.00 3.31 C ATOM 390 O GLN A 37 14.631 -19.709 0.531 1.00 42.31 O ATOM 391 CB GLN A 37 16.751 -17.337 1.281 1.00 34.42 C ATOM 392 CG GLN A 37 17.386 -18.004 0.050 1.00 45.30 C ATOM 393 CD GLN A 37 17.757 -19.468 0.271 1.00 14.14 C ATOM 394 OE1 GLN A 37 18.093 -19.874 1.374 1.00 61.12 O ATOM 395 NE2 GLN A 37 17.678 -20.260 -0.762 1.00 32.11 N ATOM 0 H GLN A 37 15.443 -17.054 3.538 1.00 22.43 H new ATOM 0 HA GLN A 37 14.704 -17.192 0.664 1.00 45.03 H new ATOM 0 HB2 GLN A 37 16.895 -16.260 1.197 1.00 34.42 H new ATOM 0 HB3 GLN A 37 17.298 -17.664 2.165 1.00 34.42 H new ATOM 0 HG2 GLN A 37 16.692 -17.936 -0.788 1.00 45.30 H new ATOM 0 HG3 GLN A 37 18.281 -17.450 -0.232 1.00 45.30 H new ATOM 0 HE21 GLN A 37 17.394 -19.889 -1.669 1.00 32.11 H new ATOM 0 HE22 GLN A 37 17.900 -21.251 -0.663 1.00 32.11 H new ATOM 404 N GLN A 38 14.829 -19.611 2.747 1.00 3.32 N ATOM 405 CA GLN A 38 14.536 -20.987 2.972 1.00 14.14 C ATOM 406 C GLN A 38 13.030 -21.192 2.926 1.00 3.22 C ATOM 407 O GLN A 38 12.536 -22.224 2.482 1.00 72.30 O ATOM 408 CB GLN A 38 15.092 -21.332 4.329 1.00 1.31 C ATOM 409 CG GLN A 38 14.873 -22.725 4.807 1.00 14.50 C ATOM 410 CD GLN A 38 15.465 -22.914 6.181 1.00 31.11 C ATOM 411 OE1 GLN A 38 15.539 -21.965 6.974 1.00 52.12 O ATOM 412 NE2 GLN A 38 15.894 -24.110 6.482 1.00 0.31 N ATOM 0 H GLN A 38 14.992 -19.079 3.602 1.00 3.32 H new ATOM 0 HA GLN A 38 14.980 -21.630 2.211 1.00 14.14 H new ATOM 0 HB2 GLN A 38 16.165 -21.142 4.315 1.00 1.31 H new ATOM 0 HB3 GLN A 38 14.656 -20.649 5.059 1.00 1.31 H new ATOM 0 HG2 GLN A 38 13.805 -22.943 4.832 1.00 14.50 H new ATOM 0 HG3 GLN A 38 15.326 -23.430 4.110 1.00 14.50 H new ATOM 0 HE21 GLN A 38 15.816 -24.866 5.802 1.00 0.31 H new ATOM 0 HE22 GLN A 38 16.307 -24.288 7.397 1.00 0.31 H new ATOM 421 N LEU A 39 12.313 -20.200 3.385 1.00 45.21 N ATOM 422 CA LEU A 39 10.895 -20.243 3.378 1.00 13.14 C ATOM 423 C LEU A 39 10.386 -19.409 2.224 1.00 41.14 C ATOM 424 O LEU A 39 10.244 -18.190 2.326 1.00 32.02 O ATOM 425 CB LEU A 39 10.320 -19.786 4.757 1.00 14.10 C ATOM 426 CG LEU A 39 8.799 -19.931 5.034 1.00 62.54 C ATOM 427 CD1 LEU A 39 7.987 -18.848 4.369 1.00 54.32 C ATOM 428 CD2 LEU A 39 8.308 -21.290 4.598 1.00 44.54 C ATOM 0 H LEU A 39 12.707 -19.343 3.773 1.00 45.21 H new ATOM 0 HA LEU A 39 10.550 -21.267 3.232 1.00 13.14 H new ATOM 0 HB2 LEU A 39 10.848 -20.342 5.532 1.00 14.10 H new ATOM 0 HB3 LEU A 39 10.577 -18.735 4.887 1.00 14.10 H new ATOM 0 HG LEU A 39 8.662 -19.826 6.110 1.00 62.54 H new ATOM 0 HD11 LEU A 39 6.931 -18.995 4.594 1.00 54.32 H new ATOM 0 HD12 LEU A 39 8.305 -17.874 4.741 1.00 54.32 H new ATOM 0 HD13 LEU A 39 8.138 -18.891 3.290 1.00 54.32 H new ATOM 0 HD21 LEU A 39 7.240 -21.373 4.800 1.00 44.54 H new ATOM 0 HD22 LEU A 39 8.486 -21.416 3.530 1.00 44.54 H new ATOM 0 HD23 LEU A 39 8.843 -22.064 5.149 1.00 44.54 H new ATOM 440 N HIS A 40 10.243 -20.054 1.107 1.00 13.12 N ATOM 441 CA HIS A 40 9.613 -19.453 -0.038 1.00 45.35 C ATOM 442 C HIS A 40 8.110 -19.570 0.141 1.00 14.34 C ATOM 443 O HIS A 40 7.643 -20.413 0.920 1.00 24.53 O ATOM 444 CB HIS A 40 10.122 -20.058 -1.381 1.00 53.21 C ATOM 445 CG HIS A 40 9.947 -21.546 -1.592 1.00 10.44 C ATOM 446 ND1 HIS A 40 9.320 -22.087 -2.681 1.00 72.32 N ATOM 447 CD2 HIS A 40 10.383 -22.597 -0.863 1.00 14.22 C ATOM 448 CE1 HIS A 40 9.374 -23.409 -2.591 1.00 41.52 C ATOM 449 NE2 HIS A 40 10.012 -23.781 -1.499 1.00 3.22 N ATOM 0 H HIS A 40 10.558 -21.013 0.959 1.00 13.12 H new ATOM 0 HA HIS A 40 9.882 -18.399 -0.100 1.00 45.35 H new ATOM 0 HB2 HIS A 40 9.614 -19.542 -2.196 1.00 53.21 H new ATOM 0 HB3 HIS A 40 11.184 -19.829 -1.471 1.00 53.21 H new ATOM 0 HD2 HIS A 40 10.932 -22.530 0.065 1.00 14.22 H new ATOM 0 HE1 HIS A 40 8.952 -24.090 -3.315 1.00 41.52 H new ATOM 0 HE2 HIS A 40 10.196 -24.734 -1.185 1.00 3.22 H new ATOM 457 N GLU A 41 7.344 -18.781 -0.555 1.00 2.33 N ATOM 458 CA GLU A 41 5.929 -18.738 -0.283 1.00 62.32 C ATOM 459 C GLU A 41 5.170 -19.953 -0.810 1.00 23.35 C ATOM 460 O GLU A 41 4.056 -20.251 -0.362 1.00 14.34 O ATOM 461 CB GLU A 41 5.289 -17.387 -0.661 1.00 43.32 C ATOM 462 CG GLU A 41 5.483 -16.908 -2.083 1.00 23.21 C ATOM 463 CD GLU A 41 4.849 -15.545 -2.280 1.00 22.12 C ATOM 464 OE1 GLU A 41 3.648 -15.472 -2.624 1.00 34.21 O ATOM 465 OE2 GLU A 41 5.534 -14.533 -2.044 1.00 12.24 O ATOM 0 H GLU A 41 7.664 -18.167 -1.304 1.00 2.33 H new ATOM 0 HA GLU A 41 5.833 -18.808 0.800 1.00 62.32 H new ATOM 0 HB2 GLU A 41 4.218 -17.454 -0.470 1.00 43.32 H new ATOM 0 HB3 GLU A 41 5.685 -16.625 0.010 1.00 43.32 H new ATOM 0 HG2 GLU A 41 6.547 -16.856 -2.313 1.00 23.21 H new ATOM 0 HG3 GLU A 41 5.042 -17.624 -2.777 1.00 23.21 H new ATOM 472 N GLU A 42 5.788 -20.685 -1.692 1.00 35.41 N ATOM 473 CA GLU A 42 5.184 -21.872 -2.251 1.00 33.33 C ATOM 474 C GLU A 42 5.336 -23.056 -1.285 1.00 22.34 C ATOM 475 O GLU A 42 4.746 -24.113 -1.504 1.00 44.15 O ATOM 476 CB GLU A 42 5.791 -22.244 -3.624 1.00 23.24 C ATOM 477 CG GLU A 42 6.046 -21.073 -4.585 1.00 71.23 C ATOM 478 CD GLU A 42 7.354 -20.366 -4.281 1.00 54.22 C ATOM 479 OE1 GLU A 42 8.382 -20.786 -4.825 1.00 54.42 O ATOM 480 OE2 GLU A 42 7.384 -19.470 -3.423 1.00 14.10 O ATOM 0 H GLU A 42 6.722 -20.481 -2.047 1.00 35.41 H new ATOM 0 HA GLU A 42 4.127 -21.652 -2.400 1.00 33.33 H new ATOM 0 HB2 GLU A 42 6.735 -22.761 -3.454 1.00 23.24 H new ATOM 0 HB3 GLU A 42 5.124 -22.952 -4.115 1.00 23.24 H new ATOM 0 HG2 GLU A 42 6.063 -21.442 -5.611 1.00 71.23 H new ATOM 0 HG3 GLU A 42 5.224 -20.361 -4.516 1.00 71.23 H new ATOM 487 N SER A 43 6.147 -22.891 -0.232 1.00 73.31 N ATOM 488 CA SER A 43 6.263 -23.928 0.789 1.00 13.54 C ATOM 489 C SER A 43 4.920 -24.177 1.500 1.00 12.50 C ATOM 490 O SER A 43 4.169 -23.229 1.801 1.00 22.21 O ATOM 491 CB SER A 43 7.296 -23.543 1.839 1.00 52.53 C ATOM 492 OG SER A 43 8.569 -23.375 1.276 1.00 71.11 O ATOM 0 H SER A 43 6.721 -22.064 -0.070 1.00 73.31 H new ATOM 0 HA SER A 43 6.573 -24.838 0.276 1.00 13.54 H new ATOM 0 HB2 SER A 43 6.990 -22.619 2.329 1.00 52.53 H new ATOM 0 HB3 SER A 43 7.337 -24.314 2.609 1.00 52.53 H new ATOM 0 HG SER A 43 9.207 -23.127 1.977 1.00 71.11 H new ATOM 498 N ASN A 44 4.618 -25.448 1.740 1.00 21.40 N ATOM 499 CA ASN A 44 3.445 -25.829 2.513 1.00 11.40 C ATOM 500 C ASN A 44 3.738 -25.464 3.948 1.00 35.42 C ATOM 501 O ASN A 44 4.720 -25.936 4.509 1.00 53.11 O ATOM 502 CB ASN A 44 3.207 -27.347 2.443 1.00 43.42 C ATOM 503 CG ASN A 44 1.896 -27.810 3.125 1.00 1.42 C ATOM 504 OD1 ASN A 44 1.412 -27.210 4.084 1.00 11.51 O ATOM 505 ND2 ASN A 44 1.349 -28.900 2.668 1.00 30.24 N ATOM 0 H ASN A 44 5.174 -26.236 1.407 1.00 21.40 H new ATOM 0 HA ASN A 44 2.562 -25.324 2.122 1.00 11.40 H new ATOM 0 HB2 ASN A 44 3.189 -27.654 1.397 1.00 43.42 H new ATOM 0 HB3 ASN A 44 4.048 -27.858 2.911 1.00 43.42 H new ATOM 0 HD21 ASN A 44 0.505 -29.270 3.106 1.00 30.24 H new ATOM 0 HD22 ASN A 44 1.764 -29.384 1.872 1.00 30.24 H new ATOM 512 N LEU A 45 2.894 -24.672 4.547 1.00 10.42 N ATOM 513 CA LEU A 45 3.156 -24.194 5.887 1.00 30.22 C ATOM 514 C LEU A 45 2.946 -25.270 6.918 1.00 53.12 C ATOM 515 O LEU A 45 3.694 -25.359 7.879 1.00 34.34 O ATOM 516 CB LEU A 45 2.316 -22.983 6.217 1.00 23.14 C ATOM 517 CG LEU A 45 2.464 -21.798 5.282 1.00 73.02 C ATOM 518 CD1 LEU A 45 1.643 -20.643 5.800 1.00 0.21 C ATOM 519 CD2 LEU A 45 3.927 -21.393 5.124 1.00 54.52 C ATOM 0 H LEU A 45 2.021 -24.342 4.136 1.00 10.42 H new ATOM 0 HA LEU A 45 4.206 -23.902 5.914 1.00 30.22 H new ATOM 0 HB2 LEU A 45 1.268 -23.284 6.228 1.00 23.14 H new ATOM 0 HB3 LEU A 45 2.564 -22.657 7.227 1.00 23.14 H new ATOM 0 HG LEU A 45 2.099 -22.085 4.296 1.00 73.02 H new ATOM 0 HD11 LEU A 45 1.749 -19.791 5.128 1.00 0.21 H new ATOM 0 HD12 LEU A 45 0.594 -20.936 5.851 1.00 0.21 H new ATOM 0 HD13 LEU A 45 1.992 -20.366 6.795 1.00 0.21 H new ATOM 0 HD21 LEU A 45 3.998 -20.541 4.448 1.00 54.52 H new ATOM 0 HD22 LEU A 45 4.336 -21.119 6.097 1.00 54.52 H new ATOM 0 HD23 LEU A 45 4.494 -22.229 4.715 1.00 54.52 H new ATOM 531 N ILE A 46 1.961 -26.110 6.698 1.00 54.40 N ATOM 532 CA ILE A 46 1.658 -27.193 7.643 1.00 13.55 C ATOM 533 C ILE A 46 2.824 -28.175 7.671 1.00 42.22 C ATOM 534 O ILE A 46 3.270 -28.621 8.721 1.00 25.22 O ATOM 535 CB ILE A 46 0.331 -27.922 7.283 1.00 34.52 C ATOM 536 CG1 ILE A 46 -0.832 -26.914 7.294 1.00 14.41 C ATOM 537 CG2 ILE A 46 0.058 -29.075 8.259 1.00 15.41 C ATOM 538 CD1 ILE A 46 -2.188 -27.512 6.965 1.00 22.53 C ATOM 0 H ILE A 46 1.351 -26.076 5.881 1.00 54.40 H new ATOM 0 HA ILE A 46 1.521 -26.759 8.633 1.00 13.55 H new ATOM 0 HB ILE A 46 0.423 -28.347 6.284 1.00 34.52 H new ATOM 0 HG12 ILE A 46 -0.884 -26.449 8.279 1.00 14.41 H new ATOM 0 HG13 ILE A 46 -0.615 -26.121 6.578 1.00 14.41 H new ATOM 0 HG21 ILE A 46 -0.875 -29.569 7.987 1.00 15.41 H new ATOM 0 HG22 ILE A 46 0.876 -29.793 8.212 1.00 15.41 H new ATOM 0 HG23 ILE A 46 -0.022 -28.682 9.273 1.00 15.41 H new ATOM 0 HD11 ILE A 46 -2.947 -26.731 6.996 1.00 22.53 H new ATOM 0 HD12 ILE A 46 -2.160 -27.951 5.968 1.00 22.53 H new ATOM 0 HD13 ILE A 46 -2.432 -28.284 7.695 1.00 22.53 H new ATOM 550 N GLN A 47 3.365 -28.417 6.501 1.00 1.01 N ATOM 551 CA GLN A 47 4.525 -29.276 6.333 1.00 11.03 C ATOM 552 C GLN A 47 5.814 -28.579 6.796 1.00 62.32 C ATOM 553 O GLN A 47 6.860 -29.201 6.890 1.00 23.22 O ATOM 554 CB GLN A 47 4.624 -29.745 4.881 1.00 31.34 C ATOM 555 CG GLN A 47 3.693 -30.886 4.517 1.00 15.14 C ATOM 556 CD GLN A 47 3.906 -31.376 3.095 1.00 21.33 C ATOM 557 OE1 GLN A 47 3.286 -30.892 2.155 1.00 65.24 O ATOM 558 NE2 GLN A 47 4.784 -32.330 2.929 1.00 22.11 N ATOM 0 H GLN A 47 3.014 -28.023 5.628 1.00 1.01 H new ATOM 0 HA GLN A 47 4.400 -30.154 6.967 1.00 11.03 H new ATOM 0 HB2 GLN A 47 4.414 -28.900 4.226 1.00 31.34 H new ATOM 0 HB3 GLN A 47 5.650 -30.054 4.683 1.00 31.34 H new ATOM 0 HG2 GLN A 47 3.848 -31.713 5.210 1.00 15.14 H new ATOM 0 HG3 GLN A 47 2.660 -30.560 4.635 1.00 15.14 H new ATOM 0 HE21 GLN A 47 5.282 -32.710 3.734 1.00 22.11 H new ATOM 0 HE22 GLN A 47 4.971 -32.694 1.995 1.00 22.11 H new ATOM 567 N ALA A 48 5.717 -27.288 7.070 1.00 30.44 N ATOM 568 CA ALA A 48 6.844 -26.505 7.544 1.00 14.23 C ATOM 569 C ALA A 48 6.770 -26.300 9.064 1.00 22.30 C ATOM 570 O ALA A 48 7.629 -25.653 9.647 1.00 12.22 O ATOM 571 CB ALA A 48 6.907 -25.159 6.824 1.00 15.51 C ATOM 0 H ALA A 48 4.854 -26.754 6.970 1.00 30.44 H new ATOM 0 HA ALA A 48 7.756 -27.058 7.320 1.00 14.23 H new ATOM 0 HB1 ALA A 48 7.759 -24.588 7.194 1.00 15.51 H new ATOM 0 HB2 ALA A 48 7.019 -25.324 5.752 1.00 15.51 H new ATOM 0 HB3 ALA A 48 5.988 -24.603 7.011 1.00 15.51 H new ATOM 577 N GLY A 49 5.733 -26.844 9.694 1.00 1.51 N ATOM 578 CA GLY A 49 5.635 -26.745 11.140 1.00 32.34 C ATOM 579 C GLY A 49 4.441 -25.945 11.635 1.00 41.11 C ATOM 580 O GLY A 49 4.293 -25.732 12.838 1.00 4.32 O ATOM 0 H GLY A 49 4.970 -27.344 9.238 1.00 1.51 H new ATOM 0 HA2 GLY A 49 5.582 -27.750 11.558 1.00 32.34 H new ATOM 0 HA3 GLY A 49 6.547 -26.288 11.523 1.00 32.34 H new ATOM 584 N LEU A 50 3.601 -25.492 10.733 1.00 55.23 N ATOM 585 CA LEU A 50 2.412 -24.749 11.119 1.00 0.34 C ATOM 586 C LEU A 50 1.304 -25.743 11.395 1.00 65.32 C ATOM 587 O LEU A 50 0.865 -26.450 10.493 1.00 1.33 O ATOM 588 CB LEU A 50 1.972 -23.812 9.981 1.00 50.22 C ATOM 589 CG LEU A 50 0.992 -22.698 10.349 1.00 34.34 C ATOM 590 CD1 LEU A 50 1.720 -21.579 11.069 1.00 73.24 C ATOM 591 CD2 LEU A 50 0.274 -22.172 9.123 1.00 3.20 C ATOM 0 H LEU A 50 3.714 -25.622 9.728 1.00 55.23 H new ATOM 0 HA LEU A 50 2.627 -24.149 12.003 1.00 0.34 H new ATOM 0 HB2 LEU A 50 2.864 -23.353 9.554 1.00 50.22 H new ATOM 0 HB3 LEU A 50 1.519 -24.419 9.197 1.00 50.22 H new ATOM 0 HG LEU A 50 0.239 -23.113 11.019 1.00 34.34 H new ATOM 0 HD11 LEU A 50 1.012 -20.791 11.326 1.00 73.24 H new ATOM 0 HD12 LEU A 50 2.176 -21.968 11.979 1.00 73.24 H new ATOM 0 HD13 LEU A 50 2.495 -21.172 10.420 1.00 73.24 H new ATOM 0 HD21 LEU A 50 -0.416 -21.381 9.417 1.00 3.20 H new ATOM 0 HD22 LEU A 50 1.003 -21.774 8.417 1.00 3.20 H new ATOM 0 HD23 LEU A 50 -0.282 -22.982 8.652 1.00 3.20 H new ATOM 603 N ASP A 51 0.886 -25.813 12.633 1.00 21.34 N ATOM 604 CA ASP A 51 -0.202 -26.667 13.037 1.00 14.42 C ATOM 605 C ASP A 51 -1.510 -26.040 12.590 1.00 55.51 C ATOM 606 O ASP A 51 -1.522 -24.933 12.012 1.00 11.35 O ATOM 607 CB ASP A 51 -0.182 -26.853 14.556 1.00 52.31 C ATOM 608 CG ASP A 51 -0.119 -25.533 15.272 1.00 74.35 C ATOM 609 OD1 ASP A 51 -1.170 -24.961 15.571 1.00 71.02 O ATOM 610 OD2 ASP A 51 1.011 -25.030 15.493 1.00 53.41 O ATOM 0 H ASP A 51 1.295 -25.274 13.396 1.00 21.34 H new ATOM 0 HA ASP A 51 -0.098 -27.648 12.574 1.00 14.42 H new ATOM 0 HB2 ASP A 51 -1.074 -27.396 14.869 1.00 52.31 H new ATOM 0 HB3 ASP A 51 0.677 -27.462 14.838 1.00 52.31 H new ATOM 667 N ILE A 53 -3.892 -25.087 14.470 1.00 75.53 N ATOM 668 CA ILE A 53 -4.341 -24.149 15.434 1.00 74.40 C ATOM 669 C ILE A 53 -3.772 -22.816 15.047 1.00 55.45 C ATOM 670 O ILE A 53 -4.468 -21.803 15.072 1.00 20.51 O ATOM 671 CB ILE A 53 -3.953 -24.556 16.869 1.00 31.21 C ATOM 672 CG1 ILE A 53 -4.668 -25.874 17.246 1.00 60.14 C ATOM 673 CG2 ILE A 53 -4.274 -23.441 17.880 1.00 73.11 C ATOM 674 CD1 ILE A 53 -6.202 -25.832 17.109 1.00 34.00 C ATOM 0 HA ILE A 53 -5.430 -24.106 15.442 1.00 74.40 H new ATOM 0 HB ILE A 53 -2.875 -24.715 16.904 1.00 31.21 H new ATOM 0 HG12 ILE A 53 -4.282 -26.675 16.616 1.00 60.14 H new ATOM 0 HG13 ILE A 53 -4.415 -26.128 18.275 1.00 60.14 H new ATOM 0 HG21 ILE A 53 -3.987 -23.764 18.881 1.00 73.11 H new ATOM 0 HG22 ILE A 53 -3.720 -22.540 17.616 1.00 73.11 H new ATOM 0 HG23 ILE A 53 -5.343 -23.228 17.860 1.00 73.11 H new ATOM 0 HD11 ILE A 53 -6.619 -26.798 17.394 1.00 34.00 H new ATOM 0 HD12 ILE A 53 -6.604 -25.056 17.761 1.00 34.00 H new ATOM 0 HD13 ILE A 53 -6.469 -25.612 16.075 1.00 34.00 H new ATOM 686 N ARG A 54 -2.518 -22.830 14.632 1.00 0.01 N ATOM 687 CA ARG A 54 -1.892 -21.683 14.072 1.00 70.42 C ATOM 688 C ARG A 54 -2.549 -21.285 12.771 1.00 62.34 C ATOM 689 O ARG A 54 -2.840 -20.118 12.563 1.00 62.04 O ATOM 690 CB ARG A 54 -0.466 -21.948 13.840 1.00 32.51 C ATOM 691 CG ARG A 54 0.365 -21.858 15.067 1.00 52.23 C ATOM 692 CD ARG A 54 1.742 -22.100 14.657 1.00 12.50 C ATOM 693 NE ARG A 54 2.754 -21.812 15.661 1.00 61.12 N ATOM 694 CZ ARG A 54 3.659 -22.692 16.074 1.00 5.44 C ATOM 695 NH1 ARG A 54 3.371 -23.998 16.075 1.00 21.44 N ATOM 696 NH2 ARG A 54 4.825 -22.253 16.559 1.00 61.23 N ATOM 0 H ARG A 54 -1.915 -23.651 14.682 1.00 0.01 H new ATOM 0 HA ARG A 54 -2.000 -20.862 14.781 1.00 70.42 H new ATOM 0 HB2 ARG A 54 -0.356 -22.943 13.409 1.00 32.51 H new ATOM 0 HB3 ARG A 54 -0.089 -21.239 13.103 1.00 32.51 H new ATOM 0 HG2 ARG A 54 0.266 -20.877 15.531 1.00 52.23 H new ATOM 0 HG3 ARG A 54 0.046 -22.593 15.806 1.00 52.23 H new ATOM 0 HD2 ARG A 54 1.836 -23.145 14.361 1.00 12.50 H new ATOM 0 HD3 ARG A 54 1.951 -21.498 13.773 1.00 12.50 H new ATOM 0 HE ARG A 54 2.770 -20.879 16.072 1.00 61.12 H new ATOM 0 HH11 ARG A 54 2.456 -24.319 15.758 1.00 21.44 H new ATOM 0 HH12 ARG A 54 4.066 -24.673 16.392 1.00 21.44 H new ATOM 0 HH21 ARG A 54 5.012 -21.252 16.609 1.00 61.23 H new ATOM 0 HH22 ARG A 54 5.528 -22.920 16.879 1.00 61.23 H new ATOM 710 N LEU A 55 -2.806 -22.278 11.915 1.00 14.35 N ATOM 711 CA LEU A 55 -3.480 -22.088 10.610 1.00 75.11 C ATOM 712 C LEU A 55 -4.813 -21.368 10.854 1.00 42.21 C ATOM 713 O LEU A 55 -5.093 -20.322 10.265 1.00 42.24 O ATOM 714 CB LEU A 55 -3.739 -23.493 9.992 1.00 73.11 C ATOM 715 CG LEU A 55 -4.136 -23.645 8.492 1.00 13.34 C ATOM 716 CD1 LEU A 55 -5.306 -22.796 8.057 1.00 72.03 C ATOM 717 CD2 LEU A 55 -2.967 -23.491 7.569 1.00 12.24 C ATOM 0 H LEU A 55 -2.553 -23.248 12.102 1.00 14.35 H new ATOM 0 HA LEU A 55 -2.868 -21.495 9.931 1.00 75.11 H new ATOM 0 HB2 LEU A 55 -2.834 -24.082 10.145 1.00 73.11 H new ATOM 0 HB3 LEU A 55 -4.528 -23.961 10.581 1.00 73.11 H new ATOM 0 HG LEU A 55 -4.487 -24.674 8.414 1.00 13.34 H new ATOM 0 HD11 LEU A 55 -5.508 -22.969 7.000 1.00 72.03 H new ATOM 0 HD12 LEU A 55 -6.186 -23.062 8.643 1.00 72.03 H new ATOM 0 HD13 LEU A 55 -5.070 -21.743 8.214 1.00 72.03 H new ATOM 0 HD21 LEU A 55 -3.300 -23.606 6.538 1.00 12.24 H new ATOM 0 HD22 LEU A 55 -2.528 -22.502 7.700 1.00 12.24 H new ATOM 0 HD23 LEU A 55 -2.221 -24.253 7.796 1.00 12.24 H new ATOM 729 N MET A 56 -5.619 -21.920 11.736 1.00 14.13 N ATOM 730 CA MET A 56 -6.900 -21.330 12.050 1.00 44.31 C ATOM 731 C MET A 56 -6.741 -19.997 12.754 1.00 65.33 C ATOM 732 O MET A 56 -7.555 -19.086 12.571 1.00 34.30 O ATOM 733 CB MET A 56 -7.735 -22.245 12.903 1.00 1.53 C ATOM 734 CG MET A 56 -9.078 -21.641 13.284 1.00 22.22 C ATOM 735 SD MET A 56 -9.670 -22.235 14.853 1.00 25.34 S ATOM 736 CE MET A 56 -8.253 -21.789 15.842 1.00 24.34 C ATOM 0 H MET A 56 -5.408 -22.777 12.248 1.00 14.13 H new ATOM 0 HA MET A 56 -7.409 -21.170 11.100 1.00 44.31 H new ATOM 0 HB2 MET A 56 -7.902 -23.180 12.368 1.00 1.53 H new ATOM 0 HB3 MET A 56 -7.183 -22.491 13.810 1.00 1.53 H new ATOM 0 HG2 MET A 56 -8.987 -20.555 13.321 1.00 22.22 H new ATOM 0 HG3 MET A 56 -9.810 -21.874 12.511 1.00 22.22 H new ATOM 0 HE1 MET A 56 -8.572 -21.588 16.865 1.00 24.34 H new ATOM 0 HE2 MET A 56 -7.535 -22.609 15.840 1.00 24.34 H new ATOM 0 HE3 MET A 56 -7.785 -20.897 15.426 1.00 24.34 H new ATOM 746 N ARG A 57 -5.711 -19.864 13.560 1.00 20.31 N ATOM 747 CA ARG A 57 -5.481 -18.626 14.250 1.00 65.45 C ATOM 748 C ARG A 57 -5.159 -17.527 13.227 1.00 44.25 C ATOM 749 O ARG A 57 -5.465 -16.364 13.436 1.00 12.14 O ATOM 750 CB ARG A 57 -4.367 -18.751 15.276 1.00 60.21 C ATOM 751 CG ARG A 57 -4.195 -17.551 16.181 1.00 0.24 C ATOM 752 CD ARG A 57 -5.448 -17.347 16.975 1.00 71.42 C ATOM 753 NE ARG A 57 -5.373 -16.196 17.891 1.00 71.04 N ATOM 754 CZ ARG A 57 -6.438 -15.525 18.383 1.00 43.13 C ATOM 755 NH1 ARG A 57 -7.684 -15.854 17.996 1.00 12.41 N ATOM 756 NH2 ARG A 57 -6.254 -14.516 19.249 1.00 32.23 N ATOM 0 H ARG A 57 -5.026 -20.596 13.749 1.00 20.31 H new ATOM 0 HA ARG A 57 -6.387 -18.361 14.796 1.00 65.45 H new ATOM 0 HB2 ARG A 57 -4.559 -19.629 15.893 1.00 60.21 H new ATOM 0 HB3 ARG A 57 -3.428 -18.929 14.751 1.00 60.21 H new ATOM 0 HG2 ARG A 57 -3.348 -17.704 16.850 1.00 0.24 H new ATOM 0 HG3 ARG A 57 -3.977 -16.662 15.589 1.00 0.24 H new ATOM 0 HD2 ARG A 57 -6.285 -17.205 16.291 1.00 71.42 H new ATOM 0 HD3 ARG A 57 -5.656 -18.249 17.551 1.00 71.42 H new ATOM 0 HE ARG A 57 -4.446 -15.881 18.176 1.00 71.04 H new ATOM 0 HH11 ARG A 57 -7.827 -16.612 17.329 1.00 12.41 H new ATOM 0 HH12 ARG A 57 -8.485 -15.345 18.370 1.00 12.41 H new ATOM 0 HH21 ARG A 57 -5.310 -14.256 19.536 1.00 32.23 H new ATOM 0 HH22 ARG A 57 -7.058 -14.010 19.620 1.00 32.23 H new ATOM 770 N TRP A 58 -4.571 -17.938 12.114 1.00 70.15 N ATOM 771 CA TRP A 58 -4.292 -17.057 11.003 1.00 3.55 C ATOM 772 C TRP A 58 -5.558 -16.583 10.311 1.00 20.11 C ATOM 773 O TRP A 58 -5.616 -15.459 9.826 1.00 63.52 O ATOM 774 CB TRP A 58 -3.310 -17.687 10.018 1.00 44.41 C ATOM 775 CG TRP A 58 -1.891 -17.559 10.451 1.00 22.22 C ATOM 776 CD1 TRP A 58 -0.992 -18.560 10.629 1.00 21.12 C ATOM 777 CD2 TRP A 58 -1.212 -16.334 10.773 1.00 25.34 C ATOM 778 NE1 TRP A 58 0.218 -18.035 11.041 1.00 22.31 N ATOM 779 CE2 TRP A 58 0.105 -16.660 11.124 1.00 33.13 C ATOM 780 CE3 TRP A 58 -1.600 -14.988 10.784 1.00 24.40 C ATOM 781 CZ2 TRP A 58 1.047 -15.675 11.484 1.00 52.14 C ATOM 782 CZ3 TRP A 58 -0.680 -14.027 11.140 1.00 24.42 C ATOM 783 CH2 TRP A 58 0.626 -14.371 11.479 1.00 63.04 C ATOM 0 H TRP A 58 -4.274 -18.902 11.960 1.00 70.15 H new ATOM 0 HA TRP A 58 -3.813 -16.170 11.418 1.00 3.55 H new ATOM 0 HB2 TRP A 58 -3.553 -18.742 9.895 1.00 44.41 H new ATOM 0 HB3 TRP A 58 -3.430 -17.217 9.042 1.00 44.41 H new ATOM 0 HD1 TRP A 58 -1.192 -19.610 10.472 1.00 21.12 H new ATOM 0 HE1 TRP A 58 1.058 -18.575 11.250 1.00 22.31 H new ATOM 0 HE3 TRP A 58 -2.608 -14.707 10.517 1.00 24.40 H new ATOM 0 HZ2 TRP A 58 2.060 -15.937 11.753 1.00 52.14 H new ATOM 0 HZ3 TRP A 58 -0.977 -12.989 11.157 1.00 24.42 H new ATOM 0 HH2 TRP A 58 1.324 -13.591 11.744 1.00 63.04 H new ATOM 794 N LEU A 59 -6.598 -17.412 10.300 1.00 4.21 N ATOM 795 CA LEU A 59 -7.879 -16.981 9.744 1.00 73.22 C ATOM 796 C LEU A 59 -8.461 -15.878 10.601 1.00 75.02 C ATOM 797 O LEU A 59 -9.170 -14.988 10.121 1.00 2.41 O ATOM 798 CB LEU A 59 -8.875 -18.113 9.641 1.00 43.21 C ATOM 799 CG LEU A 59 -10.198 -17.709 8.994 1.00 64.55 C ATOM 800 CD1 LEU A 59 -9.979 -17.188 7.586 1.00 74.53 C ATOM 801 CD2 LEU A 59 -11.105 -18.860 8.954 1.00 64.30 C ATOM 0 H LEU A 59 -6.583 -18.366 10.661 1.00 4.21 H new ATOM 0 HA LEU A 59 -7.687 -16.619 8.734 1.00 73.22 H new ATOM 0 HB2 LEU A 59 -8.431 -18.924 9.064 1.00 43.21 H new ATOM 0 HB3 LEU A 59 -9.073 -18.503 10.639 1.00 43.21 H new ATOM 0 HG LEU A 59 -10.640 -16.913 9.593 1.00 64.55 H new ATOM 0 HD11 LEU A 59 -10.937 -16.908 7.149 1.00 74.53 H new ATOM 0 HD12 LEU A 59 -9.326 -16.316 7.618 1.00 74.53 H new ATOM 0 HD13 LEU A 59 -9.516 -17.966 6.978 1.00 74.53 H new ATOM 0 HD21 LEU A 59 -12.047 -18.565 8.491 1.00 64.30 H new ATOM 0 HD22 LEU A 59 -10.650 -19.662 8.372 1.00 64.30 H new ATOM 0 HD23 LEU A 59 -11.293 -19.210 9.969 1.00 64.30 H new ATOM 813 N HIS A 60 -8.111 -15.922 11.864 1.00 24.15 N ATOM 814 CA HIS A 60 -8.517 -14.920 12.822 1.00 22.30 C ATOM 815 C HIS A 60 -7.798 -13.618 12.568 1.00 60.21 C ATOM 816 O HIS A 60 -8.187 -12.583 13.069 1.00 61.15 O ATOM 817 CB HIS A 60 -8.286 -15.400 14.245 1.00 34.00 C ATOM 818 CG HIS A 60 -9.235 -16.462 14.659 1.00 4.54 C ATOM 819 ND1 HIS A 60 -8.945 -17.808 14.717 1.00 74.30 N ATOM 820 CD2 HIS A 60 -10.491 -16.335 15.071 1.00 31.04 C ATOM 821 CE1 HIS A 60 -10.030 -18.436 15.175 1.00 73.31 C ATOM 822 NE2 HIS A 60 -10.999 -17.583 15.405 1.00 35.44 N ATOM 0 H HIS A 60 -7.531 -16.661 12.260 1.00 24.15 H new ATOM 0 HA HIS A 60 -9.586 -14.748 12.699 1.00 22.30 H new ATOM 0 HB2 HIS A 60 -7.267 -15.776 14.335 1.00 34.00 H new ATOM 0 HB3 HIS A 60 -8.375 -14.554 14.927 1.00 34.00 H new ATOM 0 HD2 HIS A 60 -11.034 -15.404 15.136 1.00 31.04 H new ATOM 0 HE1 HIS A 60 -10.100 -19.502 15.334 1.00 73.31 H new ATOM 0 HE2 HIS A 60 -11.933 -17.793 15.757 1.00 35.44 H new ATOM 830 N TRP A 61 -6.723 -13.689 11.836 1.00 70.24 N ATOM 831 CA TRP A 61 -6.035 -12.522 11.403 1.00 31.42 C ATOM 832 C TRP A 61 -6.718 -12.016 10.135 1.00 4.41 C ATOM 833 O TRP A 61 -7.171 -10.883 10.092 1.00 53.21 O ATOM 834 CB TRP A 61 -4.549 -12.829 11.187 1.00 1.43 C ATOM 835 CG TRP A 61 -3.698 -11.656 10.797 1.00 23.12 C ATOM 836 CD1 TRP A 61 -3.337 -10.599 11.588 1.00 41.21 C ATOM 837 CD2 TRP A 61 -3.058 -11.447 9.534 1.00 43.25 C ATOM 838 NE1 TRP A 61 -2.529 -9.742 10.883 1.00 61.55 N ATOM 839 CE2 TRP A 61 -2.340 -10.242 9.624 1.00 62.24 C ATOM 840 CE3 TRP A 61 -3.026 -12.159 8.336 1.00 31.34 C ATOM 841 CZ2 TRP A 61 -1.600 -9.735 8.565 1.00 24.51 C ATOM 842 CZ3 TRP A 61 -2.287 -11.654 7.287 1.00 33.31 C ATOM 843 CH2 TRP A 61 -1.584 -10.452 7.410 1.00 20.41 C ATOM 0 H TRP A 61 -6.303 -14.565 11.525 1.00 70.24 H new ATOM 0 HA TRP A 61 -6.079 -11.739 12.160 1.00 31.42 H new ATOM 0 HB2 TRP A 61 -4.147 -13.258 12.105 1.00 1.43 H new ATOM 0 HB3 TRP A 61 -4.462 -13.592 10.414 1.00 1.43 H new ATOM 0 HD1 TRP A 61 -3.643 -10.460 12.614 1.00 41.21 H new ATOM 0 HE1 TRP A 61 -2.133 -8.872 11.240 1.00 61.55 H new ATOM 0 HE3 TRP A 61 -3.569 -13.087 8.232 1.00 31.34 H new ATOM 0 HZ2 TRP A 61 -1.057 -8.806 8.655 1.00 24.51 H new ATOM 0 HZ3 TRP A 61 -2.251 -12.197 6.354 1.00 33.31 H new ATOM 0 HH2 TRP A 61 -1.015 -10.085 6.569 1.00 20.41 H new ATOM 854 N PHE A 62 -6.866 -12.915 9.149 1.00 10.34 N ATOM 855 CA PHE A 62 -7.490 -12.596 7.848 1.00 52.14 C ATOM 856 C PHE A 62 -8.888 -11.991 7.980 1.00 43.42 C ATOM 857 O PHE A 62 -9.120 -10.870 7.538 1.00 60.54 O ATOM 858 CB PHE A 62 -7.557 -13.826 6.928 1.00 22.14 C ATOM 859 CG PHE A 62 -6.230 -14.328 6.452 1.00 11.33 C ATOM 860 CD1 PHE A 62 -5.404 -13.515 5.704 1.00 61.41 C ATOM 861 CD2 PHE A 62 -5.805 -15.606 6.752 1.00 65.23 C ATOM 862 CE1 PHE A 62 -4.185 -13.971 5.267 1.00 13.03 C ATOM 863 CE2 PHE A 62 -4.586 -16.065 6.316 1.00 60.54 C ATOM 864 CZ PHE A 62 -3.776 -15.244 5.572 1.00 33.21 C ATOM 0 H PHE A 62 -6.558 -13.884 9.228 1.00 10.34 H new ATOM 0 HA PHE A 62 -6.840 -11.844 7.401 1.00 52.14 H new ATOM 0 HB2 PHE A 62 -8.065 -14.631 7.458 1.00 22.14 H new ATOM 0 HB3 PHE A 62 -8.169 -13.580 6.060 1.00 22.14 H new ATOM 0 HD1 PHE A 62 -5.719 -12.511 5.460 1.00 61.41 H new ATOM 0 HD2 PHE A 62 -6.440 -16.254 7.338 1.00 65.23 H new ATOM 0 HE1 PHE A 62 -3.547 -13.326 4.682 1.00 13.03 H new ATOM 0 HE2 PHE A 62 -4.266 -17.068 6.558 1.00 60.54 H new ATOM 0 HZ PHE A 62 -2.817 -15.600 5.227 1.00 33.21 H new ATOM 874 N ARG A 63 -9.806 -12.711 8.614 1.00 73.43 N ATOM 875 CA ARG A 63 -11.193 -12.252 8.745 1.00 12.42 C ATOM 876 C ARG A 63 -11.313 -10.969 9.534 1.00 61.41 C ATOM 877 O ARG A 63 -12.213 -10.172 9.318 1.00 64.55 O ATOM 878 CB ARG A 63 -12.062 -13.314 9.353 1.00 34.30 C ATOM 879 CG ARG A 63 -12.314 -14.458 8.409 1.00 53.44 C ATOM 880 CD ARG A 63 -13.435 -15.284 8.920 1.00 72.23 C ATOM 881 NE ARG A 63 -13.846 -16.344 7.978 1.00 1.31 N ATOM 882 CZ ARG A 63 -14.674 -17.363 8.259 1.00 34.11 C ATOM 883 NH1 ARG A 63 -15.016 -17.627 9.527 1.00 63.05 N ATOM 884 NH2 ARG A 63 -15.123 -18.148 7.273 1.00 11.44 N ATOM 0 H ARG A 63 -9.620 -13.616 9.047 1.00 73.43 H new ATOM 0 HA ARG A 63 -11.540 -12.045 7.733 1.00 12.42 H new ATOM 0 HB2 ARG A 63 -11.589 -13.692 10.259 1.00 34.30 H new ATOM 0 HB3 ARG A 63 -13.014 -12.875 9.650 1.00 34.30 H new ATOM 0 HG2 ARG A 63 -12.552 -14.078 7.416 1.00 53.44 H new ATOM 0 HG3 ARG A 63 -11.415 -15.067 8.311 1.00 53.44 H new ATOM 0 HD2 ARG A 63 -13.142 -15.740 9.866 1.00 72.23 H new ATOM 0 HD3 ARG A 63 -14.289 -14.639 9.128 1.00 72.23 H new ATOM 0 HE ARG A 63 -13.468 -16.298 7.032 1.00 1.31 H new ATOM 0 HH11 ARG A 63 -14.647 -17.053 10.285 1.00 63.05 H new ATOM 0 HH12 ARG A 63 -15.645 -18.402 9.735 1.00 63.05 H new ATOM 0 HH21 ARG A 63 -14.836 -17.972 6.310 1.00 11.44 H new ATOM 0 HH22 ARG A 63 -15.752 -18.923 7.484 1.00 11.44 H new ATOM 898 N LYS A 64 -10.358 -10.759 10.395 1.00 61.33 N ATOM 899 CA LYS A 64 -10.309 -9.606 11.259 1.00 12.54 C ATOM 900 C LYS A 64 -9.701 -8.409 10.505 1.00 34.10 C ATOM 901 O LYS A 64 -9.782 -7.270 10.944 1.00 45.30 O ATOM 902 CB LYS A 64 -9.433 -9.965 12.425 1.00 73.32 C ATOM 903 CG LYS A 64 -9.337 -8.939 13.522 1.00 51.51 C ATOM 904 CD LYS A 64 -8.287 -9.346 14.536 1.00 12.14 C ATOM 905 CE LYS A 64 -6.909 -9.531 13.870 1.00 41.42 C ATOM 906 NZ LYS A 64 -6.544 -8.402 12.947 1.00 74.11 N ATOM 0 H LYS A 64 -9.572 -11.397 10.521 1.00 61.33 H new ATOM 0 HA LYS A 64 -11.310 -9.329 11.590 1.00 12.54 H new ATOM 0 HB2 LYS A 64 -9.801 -10.896 12.857 1.00 73.32 H new ATOM 0 HB3 LYS A 64 -8.428 -10.163 12.051 1.00 73.32 H new ATOM 0 HG2 LYS A 64 -9.085 -7.967 13.098 1.00 51.51 H new ATOM 0 HG3 LYS A 64 -10.304 -8.831 14.014 1.00 51.51 H new ATOM 0 HD2 LYS A 64 -8.218 -8.588 15.316 1.00 12.14 H new ATOM 0 HD3 LYS A 64 -8.587 -10.275 15.021 1.00 12.14 H new ATOM 0 HE2 LYS A 64 -6.147 -9.620 14.644 1.00 41.42 H new ATOM 0 HE3 LYS A 64 -6.905 -10.466 13.310 1.00 41.42 H new ATOM 0 HZ1 LYS A 64 -5.563 -8.108 13.129 1.00 74.11 H new ATOM 0 HZ2 LYS A 64 -6.633 -8.718 11.960 1.00 74.11 H new ATOM 0 HZ3 LYS A 64 -7.183 -7.598 13.112 1.00 74.11 H new ATOM 920 N ASN A 65 -9.053 -8.701 9.402 1.00 12.11 N ATOM 921 CA ASN A 65 -8.455 -7.685 8.542 1.00 3.54 C ATOM 922 C ASN A 65 -9.397 -7.374 7.391 1.00 34.22 C ATOM 923 O ASN A 65 -9.073 -6.617 6.490 1.00 32.43 O ATOM 924 CB ASN A 65 -7.075 -8.140 8.004 1.00 23.43 C ATOM 925 CG ASN A 65 -5.925 -8.035 9.012 1.00 63.24 C ATOM 926 OD1 ASN A 65 -6.125 -8.088 10.256 1.00 0.24 O ATOM 927 ND2 ASN A 65 -4.717 -7.933 8.507 1.00 34.22 N ATOM 0 H ASN A 65 -8.920 -9.655 9.066 1.00 12.11 H new ATOM 0 HA ASN A 65 -8.295 -6.784 9.134 1.00 3.54 H new ATOM 0 HB2 ASN A 65 -7.154 -9.175 7.671 1.00 23.43 H new ATOM 0 HB3 ASN A 65 -6.827 -7.541 7.128 1.00 23.43 H new ATOM 0 HD21 ASN A 65 -3.907 -7.894 9.126 1.00 34.22 H new ATOM 0 HD22 ASN A 65 -4.589 -7.892 7.496 1.00 34.22 H new ATOM 934 N GLY A 66 -10.578 -7.978 7.435 1.00 22.44 N ATOM 935 CA GLY A 66 -11.584 -7.720 6.432 1.00 63.30 C ATOM 936 C GLY A 66 -11.676 -8.807 5.383 1.00 0.41 C ATOM 937 O GLY A 66 -12.563 -8.780 4.529 1.00 4.35 O ATOM 0 H GLY A 66 -10.855 -8.646 8.154 1.00 22.44 H new ATOM 0 HA2 GLY A 66 -12.553 -7.612 6.919 1.00 63.30 H new ATOM 0 HA3 GLY A 66 -11.365 -6.771 5.943 1.00 63.30 H new ATOM 941 N TYR A 67 -10.795 -9.784 5.454 1.00 71.32 N ATOM 942 CA TYR A 67 -10.775 -10.842 4.464 1.00 22.22 C ATOM 943 C TYR A 67 -11.883 -11.827 4.684 1.00 14.42 C ATOM 944 O TYR A 67 -11.800 -12.714 5.543 1.00 31.25 O ATOM 945 CB TYR A 67 -9.435 -11.559 4.419 1.00 64.12 C ATOM 946 CG TYR A 67 -8.311 -10.675 4.002 1.00 3.33 C ATOM 947 CD1 TYR A 67 -8.039 -10.475 2.672 1.00 52.00 C ATOM 948 CD2 TYR A 67 -7.534 -10.026 4.937 1.00 51.01 C ATOM 949 CE1 TYR A 67 -7.022 -9.657 2.277 1.00 63.31 C ATOM 950 CE2 TYR A 67 -6.514 -9.201 4.558 1.00 64.11 C ATOM 951 CZ TYR A 67 -6.259 -9.016 3.230 1.00 25.41 C ATOM 952 OH TYR A 67 -5.233 -8.201 2.851 1.00 61.23 O ATOM 0 H TYR A 67 -10.087 -9.868 6.183 1.00 71.32 H new ATOM 0 HA TYR A 67 -10.930 -10.361 3.498 1.00 22.22 H new ATOM 0 HB2 TYR A 67 -9.218 -11.972 5.404 1.00 64.12 H new ATOM 0 HB3 TYR A 67 -9.503 -12.400 3.729 1.00 64.12 H new ATOM 0 HD1 TYR A 67 -8.640 -10.974 1.926 1.00 52.00 H new ATOM 0 HD2 TYR A 67 -7.735 -10.172 5.988 1.00 51.01 H new ATOM 0 HE1 TYR A 67 -6.816 -9.512 1.227 1.00 63.31 H new ATOM 0 HE2 TYR A 67 -5.914 -8.699 5.303 1.00 64.11 H new ATOM 0 HH TYR A 67 -5.534 -7.611 2.128 1.00 61.23 H new ATOM 962 N ARG A 68 -12.933 -11.660 3.935 1.00 42.33 N ATOM 963 CA ARG A 68 -14.040 -12.556 4.008 1.00 2.33 C ATOM 964 C ARG A 68 -13.771 -13.784 3.152 1.00 23.33 C ATOM 965 O ARG A 68 -14.156 -13.850 1.986 1.00 0.51 O ATOM 966 CB ARG A 68 -15.358 -11.864 3.631 1.00 24.54 C ATOM 967 CG ARG A 68 -15.662 -10.653 4.490 1.00 50.30 C ATOM 968 CD ARG A 68 -16.990 -10.006 4.128 1.00 50.14 C ATOM 969 NE ARG A 68 -17.052 -9.584 2.724 1.00 64.42 N ATOM 970 CZ ARG A 68 -17.173 -8.312 2.294 1.00 54.35 C ATOM 971 NH1 ARG A 68 -17.046 -7.284 3.135 1.00 34.22 N ATOM 972 NH2 ARG A 68 -17.341 -8.072 1.031 1.00 21.14 N ATOM 0 H ARG A 68 -13.042 -10.902 3.261 1.00 42.33 H new ATOM 0 HA ARG A 68 -14.154 -12.883 5.042 1.00 2.33 H new ATOM 0 HB2 ARG A 68 -15.315 -11.559 2.586 1.00 24.54 H new ATOM 0 HB3 ARG A 68 -16.175 -12.580 3.720 1.00 24.54 H new ATOM 0 HG2 ARG A 68 -15.679 -10.950 5.539 1.00 50.30 H new ATOM 0 HG3 ARG A 68 -14.862 -9.921 4.379 1.00 50.30 H new ATOM 0 HD2 ARG A 68 -17.798 -10.710 4.327 1.00 50.14 H new ATOM 0 HD3 ARG A 68 -17.155 -9.141 4.770 1.00 50.14 H new ATOM 0 HE ARG A 68 -16.999 -10.314 2.014 1.00 64.42 H new ATOM 0 HH11 ARG A 68 -16.854 -7.454 4.122 1.00 34.22 H new ATOM 0 HH12 ARG A 68 -17.141 -6.329 2.791 1.00 34.22 H new ATOM 0 HH21 ARG A 68 -17.381 -8.844 0.366 1.00 21.14 H new ATOM 0 HH22 ARG A 68 -17.433 -7.111 0.702 1.00 21.14 H new ATOM 986 N LEU A 69 -12.995 -14.675 3.717 1.00 2.33 N ATOM 987 CA LEU A 69 -12.660 -15.950 3.136 1.00 52.54 C ATOM 988 C LEU A 69 -12.771 -16.993 4.238 1.00 44.10 C ATOM 989 O LEU A 69 -13.021 -16.619 5.400 1.00 65.31 O ATOM 990 CB LEU A 69 -11.266 -15.905 2.413 1.00 31.14 C ATOM 991 CG LEU A 69 -10.021 -15.416 3.204 1.00 14.34 C ATOM 992 CD1 LEU A 69 -9.466 -16.483 4.120 1.00 31.13 C ATOM 993 CD2 LEU A 69 -8.938 -14.933 2.257 1.00 40.01 C ATOM 0 H LEU A 69 -12.563 -14.526 4.629 1.00 2.33 H new ATOM 0 HA LEU A 69 -13.354 -16.222 2.340 1.00 52.54 H new ATOM 0 HB2 LEU A 69 -11.051 -16.910 2.050 1.00 31.14 H new ATOM 0 HB3 LEU A 69 -11.371 -15.266 1.537 1.00 31.14 H new ATOM 0 HG LEU A 69 -10.352 -14.585 3.828 1.00 14.34 H new ATOM 0 HD11 LEU A 69 -8.597 -16.092 4.650 1.00 31.13 H new ATOM 0 HD12 LEU A 69 -10.229 -16.777 4.841 1.00 31.13 H new ATOM 0 HD13 LEU A 69 -9.171 -17.351 3.531 1.00 31.13 H new ATOM 0 HD21 LEU A 69 -8.076 -14.595 2.832 1.00 40.01 H new ATOM 0 HD22 LEU A 69 -8.639 -15.749 1.600 1.00 40.01 H new ATOM 0 HD23 LEU A 69 -9.321 -14.107 1.658 1.00 40.01 H new ATOM 1005 N THR A 70 -12.609 -18.249 3.933 1.00 22.35 N ATOM 1006 CA THR A 70 -12.855 -19.276 4.912 1.00 11.25 C ATOM 1007 C THR A 70 -11.591 -20.153 5.179 1.00 31.41 C ATOM 1008 O THR A 70 -10.597 -20.079 4.455 1.00 42.33 O ATOM 1009 CB THR A 70 -14.138 -20.083 4.495 1.00 64.30 C ATOM 1010 OG1 THR A 70 -15.227 -19.150 4.370 1.00 24.34 O ATOM 1011 CG2 THR A 70 -14.551 -21.144 5.517 1.00 13.14 C ATOM 0 H THR A 70 -12.309 -18.588 3.019 1.00 22.35 H new ATOM 0 HA THR A 70 -13.061 -18.823 5.882 1.00 11.25 H new ATOM 0 HB THR A 70 -13.906 -20.598 3.563 1.00 64.30 H new ATOM 0 HG1 THR A 70 -16.040 -19.630 4.108 1.00 24.34 H new ATOM 0 HG21 THR A 70 -15.443 -21.661 5.164 1.00 13.14 H new ATOM 0 HG22 THR A 70 -13.741 -21.862 5.643 1.00 13.14 H new ATOM 0 HG23 THR A 70 -14.764 -20.665 6.473 1.00 13.14 H new ATOM 1019 N LEU A 71 -11.646 -20.927 6.257 1.00 51.24 N ATOM 1020 CA LEU A 71 -10.546 -21.739 6.745 1.00 44.44 C ATOM 1021 C LEU A 71 -10.315 -22.973 5.874 1.00 52.44 C ATOM 1022 O LEU A 71 -9.202 -23.490 5.811 1.00 2.12 O ATOM 1023 CB LEU A 71 -10.886 -22.199 8.159 1.00 31.30 C ATOM 1024 CG LEU A 71 -9.776 -22.861 8.948 1.00 74.44 C ATOM 1025 CD1 LEU A 71 -8.662 -21.893 9.256 1.00 4.50 C ATOM 1026 CD2 LEU A 71 -10.317 -23.444 10.212 1.00 52.13 C ATOM 0 H LEU A 71 -12.485 -21.007 6.831 1.00 51.24 H new ATOM 0 HA LEU A 71 -9.638 -21.137 6.722 1.00 44.44 H new ATOM 0 HB2 LEU A 71 -11.234 -21.334 8.723 1.00 31.30 H new ATOM 0 HB3 LEU A 71 -11.721 -22.896 8.098 1.00 31.30 H new ATOM 0 HG LEU A 71 -9.362 -23.661 8.333 1.00 74.44 H new ATOM 0 HD11 LEU A 71 -7.883 -22.403 9.823 1.00 4.50 H new ATOM 0 HD12 LEU A 71 -8.243 -21.513 8.325 1.00 4.50 H new ATOM 0 HD13 LEU A 71 -9.054 -21.063 9.843 1.00 4.50 H new ATOM 0 HD21 LEU A 71 -9.509 -23.917 10.770 1.00 52.13 H new ATOM 0 HD22 LEU A 71 -10.761 -22.653 10.817 1.00 52.13 H new ATOM 0 HD23 LEU A 71 -11.077 -24.188 9.973 1.00 52.13 H new ATOM 1038 N ARG A 72 -11.364 -23.418 5.194 1.00 63.33 N ATOM 1039 CA ARG A 72 -11.319 -24.646 4.397 1.00 15.25 C ATOM 1040 C ARG A 72 -10.303 -24.499 3.307 1.00 72.01 C ATOM 1041 O ARG A 72 -9.459 -25.357 3.082 1.00 35.24 O ATOM 1042 CB ARG A 72 -12.639 -24.866 3.717 1.00 54.34 C ATOM 1043 CG ARG A 72 -13.823 -24.953 4.623 1.00 70.43 C ATOM 1044 CD ARG A 72 -15.072 -24.935 3.793 1.00 12.03 C ATOM 1045 NE ARG A 72 -15.218 -26.134 2.934 1.00 23.04 N ATOM 1046 CZ ARG A 72 -15.263 -26.124 1.576 1.00 33.33 C ATOM 1047 NH1 ARG A 72 -14.893 -25.042 0.882 1.00 2.21 N ATOM 1048 NH2 ARG A 72 -15.606 -27.239 0.915 1.00 0.43 N ATOM 0 H ARG A 72 -12.267 -22.944 5.176 1.00 63.33 H new ATOM 0 HA ARG A 72 -11.077 -25.473 5.064 1.00 15.25 H new ATOM 0 HB2 ARG A 72 -12.804 -24.053 3.010 1.00 54.34 H new ATOM 0 HB3 ARG A 72 -12.580 -25.786 3.136 1.00 54.34 H new ATOM 0 HG2 ARG A 72 -13.778 -25.866 5.216 1.00 70.43 H new ATOM 0 HG3 ARG A 72 -13.824 -24.118 5.324 1.00 70.43 H new ATOM 0 HD2 ARG A 72 -15.937 -24.860 4.452 1.00 12.03 H new ATOM 0 HD3 ARG A 72 -15.071 -24.044 3.165 1.00 12.03 H new ATOM 0 HE ARG A 72 -15.290 -27.039 3.399 1.00 23.04 H new ATOM 0 HH11 ARG A 72 -14.571 -24.207 1.372 1.00 2.21 H new ATOM 0 HH12 ARG A 72 -14.933 -25.052 -0.137 1.00 2.21 H new ATOM 0 HH21 ARG A 72 -15.832 -28.089 1.432 1.00 0.43 H new ATOM 0 HH22 ARG A 72 -15.641 -27.237 -0.104 1.00 0.43 H new ATOM 1062 N GLU A 73 -10.404 -23.374 2.668 1.00 70.23 N ATOM 1063 CA GLU A 73 -9.614 -22.979 1.551 1.00 54.12 C ATOM 1064 C GLU A 73 -8.149 -22.848 1.963 1.00 60.10 C ATOM 1065 O GLU A 73 -7.242 -23.197 1.201 1.00 70.42 O ATOM 1066 CB GLU A 73 -10.158 -21.637 0.996 1.00 74.44 C ATOM 1067 CG GLU A 73 -11.637 -21.653 0.481 1.00 22.12 C ATOM 1068 CD GLU A 73 -12.685 -22.047 1.535 1.00 72.42 C ATOM 1069 OE1 GLU A 73 -12.516 -21.689 2.715 1.00 44.34 O ATOM 1070 OE2 GLU A 73 -13.639 -22.784 1.212 1.00 32.45 O ATOM 0 H GLU A 73 -11.086 -22.664 2.933 1.00 70.23 H new ATOM 0 HA GLU A 73 -9.674 -23.736 0.769 1.00 54.12 H new ATOM 0 HB2 GLU A 73 -10.076 -20.883 1.779 1.00 74.44 H new ATOM 0 HB3 GLU A 73 -9.513 -21.318 0.177 1.00 74.44 H new ATOM 0 HG2 GLU A 73 -11.883 -20.663 0.097 1.00 22.12 H new ATOM 0 HG3 GLU A 73 -11.707 -22.346 -0.357 1.00 22.12 H new ATOM 1077 N LEU A 74 -7.925 -22.399 3.198 1.00 53.24 N ATOM 1078 CA LEU A 74 -6.571 -22.248 3.703 1.00 71.42 C ATOM 1079 C LEU A 74 -5.948 -23.608 3.957 1.00 53.25 C ATOM 1080 O LEU A 74 -4.759 -23.778 3.785 1.00 32.42 O ATOM 1081 CB LEU A 74 -6.493 -21.445 5.004 1.00 64.23 C ATOM 1082 CG LEU A 74 -7.064 -20.039 5.031 1.00 20.15 C ATOM 1083 CD1 LEU A 74 -6.608 -19.327 6.277 1.00 42.14 C ATOM 1084 CD2 LEU A 74 -6.678 -19.247 3.817 1.00 51.32 C ATOM 0 H LEU A 74 -8.658 -22.137 3.857 1.00 53.24 H new ATOM 0 HA LEU A 74 -6.029 -21.700 2.932 1.00 71.42 H new ATOM 0 HB2 LEU A 74 -6.999 -22.022 5.778 1.00 64.23 H new ATOM 0 HB3 LEU A 74 -5.443 -21.380 5.289 1.00 64.23 H new ATOM 0 HG LEU A 74 -8.151 -20.125 5.031 1.00 20.15 H new ATOM 0 HD11 LEU A 74 -7.021 -18.318 6.291 1.00 42.14 H new ATOM 0 HD12 LEU A 74 -6.953 -19.873 7.155 1.00 42.14 H new ATOM 0 HD13 LEU A 74 -5.519 -19.274 6.288 1.00 42.14 H new ATOM 0 HD21 LEU A 74 -7.110 -18.248 3.882 1.00 51.32 H new ATOM 0 HD22 LEU A 74 -5.592 -19.170 3.763 1.00 51.32 H new ATOM 0 HD23 LEU A 74 -7.051 -19.746 2.923 1.00 51.32 H new ATOM 1096 N TYR A 75 -6.762 -24.563 4.403 1.00 52.40 N ATOM 1097 CA TYR A 75 -6.285 -25.924 4.641 1.00 73.40 C ATOM 1098 C TYR A 75 -6.064 -26.662 3.353 1.00 12.41 C ATOM 1099 O TYR A 75 -5.191 -27.520 3.267 1.00 72.04 O ATOM 1100 CB TYR A 75 -7.235 -26.739 5.531 1.00 14.41 C ATOM 1101 CG TYR A 75 -7.168 -26.443 6.937 1.00 2.13 C ATOM 1102 CD1 TYR A 75 -5.993 -26.578 7.610 1.00 34.14 C ATOM 1103 CD2 TYR A 75 -8.281 -26.039 7.605 1.00 44.13 C ATOM 1104 CE1 TYR A 75 -5.927 -26.309 8.935 1.00 21.33 C ATOM 1105 CE2 TYR A 75 -8.231 -25.765 8.919 1.00 22.13 C ATOM 1106 CZ TYR A 75 -7.056 -25.899 9.587 1.00 61.14 C ATOM 1107 OH TYR A 75 -6.996 -25.589 10.890 1.00 3.34 O ATOM 0 H TYR A 75 -7.751 -24.420 4.606 1.00 52.40 H new ATOM 0 HA TYR A 75 -5.336 -25.815 5.166 1.00 73.40 H new ATOM 0 HB2 TYR A 75 -8.257 -26.573 5.190 1.00 14.41 H new ATOM 0 HB3 TYR A 75 -7.020 -27.798 5.389 1.00 14.41 H new ATOM 0 HD1 TYR A 75 -5.107 -26.902 7.084 1.00 34.14 H new ATOM 0 HD2 TYR A 75 -9.216 -25.937 7.073 1.00 44.13 H new ATOM 0 HE1 TYR A 75 -4.995 -26.417 9.470 1.00 21.33 H new ATOM 0 HE2 TYR A 75 -9.119 -25.440 9.441 1.00 22.13 H new ATOM 0 HH TYR A 75 -7.884 -25.315 11.202 1.00 3.34 H new ATOM 1117 N ALA A 76 -6.864 -26.339 2.363 1.00 51.10 N ATOM 1118 CA ALA A 76 -6.762 -26.985 1.082 1.00 60.41 C ATOM 1119 C ALA A 76 -5.482 -26.562 0.370 1.00 2.15 C ATOM 1120 O ALA A 76 -4.835 -27.363 -0.301 1.00 4.32 O ATOM 1121 CB ALA A 76 -7.987 -26.704 0.226 1.00 64.34 C ATOM 0 H ALA A 76 -7.594 -25.629 2.424 1.00 51.10 H new ATOM 0 HA ALA A 76 -6.718 -28.062 1.247 1.00 60.41 H new ATOM 0 HB1 ALA A 76 -7.881 -27.205 -0.736 1.00 64.34 H new ATOM 0 HB2 ALA A 76 -8.878 -27.075 0.733 1.00 64.34 H new ATOM 0 HB3 ALA A 76 -8.081 -25.630 0.067 1.00 64.34 H new ATOM 1127 N ALA A 77 -5.124 -25.307 0.523 1.00 21.11 N ATOM 1128 CA ALA A 77 -3.902 -24.802 -0.042 1.00 52.02 C ATOM 1129 C ALA A 77 -3.144 -23.986 0.998 1.00 1.32 C ATOM 1130 O ALA A 77 -3.223 -22.750 1.014 1.00 74.21 O ATOM 1131 CB ALA A 77 -4.174 -23.979 -1.299 1.00 74.11 C ATOM 0 H ALA A 77 -5.669 -24.616 1.039 1.00 21.11 H new ATOM 0 HA ALA A 77 -3.281 -25.648 -0.337 1.00 52.02 H new ATOM 0 HB1 ALA A 77 -3.231 -23.611 -1.704 1.00 74.11 H new ATOM 0 HB2 ALA A 77 -4.669 -24.604 -2.043 1.00 74.11 H new ATOM 0 HB3 ALA A 77 -4.816 -23.135 -1.049 1.00 74.11 H new ATOM 1137 N PRO A 78 -2.424 -24.645 1.920 1.00 60.35 N ATOM 1138 CA PRO A 78 -1.721 -23.952 2.955 1.00 14.42 C ATOM 1139 C PRO A 78 -0.319 -23.592 2.527 1.00 15.51 C ATOM 1140 O PRO A 78 0.648 -24.327 2.772 1.00 54.40 O ATOM 1141 CB PRO A 78 -1.694 -24.959 4.111 1.00 64.33 C ATOM 1142 CG PRO A 78 -1.994 -26.307 3.497 1.00 35.43 C ATOM 1143 CD PRO A 78 -2.251 -26.095 2.024 1.00 4.42 C ATOM 0 HA PRO A 78 -2.197 -23.008 3.220 1.00 14.42 H new ATOM 0 HB2 PRO A 78 -0.721 -24.962 4.603 1.00 64.33 H new ATOM 0 HB3 PRO A 78 -2.434 -24.702 4.869 1.00 64.33 H new ATOM 0 HG2 PRO A 78 -1.157 -26.989 3.645 1.00 35.43 H new ATOM 0 HG3 PRO A 78 -2.862 -26.760 3.975 1.00 35.43 H new ATOM 0 HD2 PRO A 78 -1.418 -26.446 1.415 1.00 4.42 H new ATOM 0 HD3 PRO A 78 -3.139 -26.632 1.689 1.00 4.42 H new ATOM 1151 N THR A 79 -0.214 -22.467 1.890 1.00 53.24 N ATOM 1152 CA THR A 79 1.024 -21.950 1.398 1.00 13.21 C ATOM 1153 C THR A 79 0.928 -20.465 1.489 1.00 20.13 C ATOM 1154 O THR A 79 -0.174 -19.920 1.442 1.00 3.31 O ATOM 1155 CB THR A 79 1.266 -22.331 -0.096 1.00 52.20 C ATOM 1156 OG1 THR A 79 0.159 -21.901 -0.889 1.00 61.31 O ATOM 1157 CG2 THR A 79 1.444 -23.820 -0.282 1.00 24.42 C ATOM 0 H THR A 79 -1.013 -21.865 1.692 1.00 53.24 H new ATOM 0 HA THR A 79 1.846 -22.363 1.983 1.00 13.21 H new ATOM 0 HB THR A 79 2.184 -21.834 -0.411 1.00 52.20 H new ATOM 0 HG1 THR A 79 0.315 -22.140 -1.826 1.00 61.31 H new ATOM 0 HG21 THR A 79 1.610 -24.038 -1.337 1.00 24.42 H new ATOM 0 HG22 THR A 79 2.303 -24.159 0.298 1.00 24.42 H new ATOM 0 HG23 THR A 79 0.548 -24.339 0.059 1.00 24.42 H new ATOM 1165 N LEU A 80 2.030 -19.814 1.600 1.00 13.32 N ATOM 1166 CA LEU A 80 2.040 -18.387 1.675 1.00 51.41 C ATOM 1167 C LEU A 80 1.675 -17.782 0.331 1.00 63.33 C ATOM 1168 O LEU A 80 1.036 -16.758 0.283 1.00 12.04 O ATOM 1169 CB LEU A 80 3.387 -17.918 2.179 1.00 34.02 C ATOM 1170 CG LEU A 80 3.356 -17.197 3.505 1.00 20.42 C ATOM 1171 CD1 LEU A 80 4.736 -17.154 4.109 1.00 10.33 C ATOM 1172 CD2 LEU A 80 2.817 -15.790 3.320 1.00 71.11 C ATOM 0 H LEU A 80 2.952 -20.249 1.642 1.00 13.32 H new ATOM 0 HA LEU A 80 1.286 -18.047 2.384 1.00 51.41 H new ATOM 0 HB2 LEU A 80 4.046 -18.782 2.267 1.00 34.02 H new ATOM 0 HB3 LEU A 80 3.827 -17.256 1.433 1.00 34.02 H new ATOM 0 HG LEU A 80 2.697 -17.738 4.184 1.00 20.42 H new ATOM 0 HD11 LEU A 80 4.699 -16.631 5.065 1.00 10.33 H new ATOM 0 HD12 LEU A 80 5.097 -18.171 4.265 1.00 10.33 H new ATOM 0 HD13 LEU A 80 5.412 -16.629 3.434 1.00 10.33 H new ATOM 0 HD21 LEU A 80 2.799 -15.278 4.282 1.00 71.11 H new ATOM 0 HD22 LEU A 80 3.459 -15.242 2.630 1.00 71.11 H new ATOM 0 HD23 LEU A 80 1.806 -15.838 2.915 1.00 71.11 H new ATOM 1184 N ALA A 81 2.032 -18.480 -0.739 1.00 72.43 N ATOM 1185 CA ALA A 81 1.733 -18.062 -2.105 1.00 74.04 C ATOM 1186 C ALA A 81 0.236 -18.052 -2.360 1.00 13.23 C ATOM 1187 O ALA A 81 -0.311 -17.070 -2.867 1.00 23.22 O ATOM 1188 CB ALA A 81 2.421 -18.982 -3.105 1.00 11.11 C ATOM 0 H ALA A 81 2.542 -19.361 -0.684 1.00 72.43 H new ATOM 0 HA ALA A 81 2.111 -17.048 -2.233 1.00 74.04 H new ATOM 0 HB1 ALA A 81 2.188 -18.657 -4.119 1.00 11.11 H new ATOM 0 HB2 ALA A 81 3.499 -18.945 -2.951 1.00 11.11 H new ATOM 0 HB3 ALA A 81 2.069 -20.004 -2.962 1.00 11.11 H new ATOM 1194 N ALA A 82 -0.445 -19.143 -1.994 1.00 61.30 N ATOM 1195 CA ALA A 82 -1.878 -19.217 -2.205 1.00 34.40 C ATOM 1196 C ALA A 82 -2.586 -18.227 -1.332 1.00 13.12 C ATOM 1197 O ALA A 82 -3.512 -17.590 -1.770 1.00 4.34 O ATOM 1198 CB ALA A 82 -2.431 -20.607 -1.979 1.00 40.22 C ATOM 0 H ALA A 82 -0.030 -19.967 -1.559 1.00 61.30 H new ATOM 0 HA ALA A 82 -2.057 -18.970 -3.252 1.00 34.40 H new ATOM 0 HB1 ALA A 82 -3.507 -20.603 -2.151 1.00 40.22 H new ATOM 0 HB2 ALA A 82 -1.956 -21.304 -2.669 1.00 40.22 H new ATOM 0 HB3 ALA A 82 -2.229 -20.917 -0.954 1.00 40.22 H new ATOM 1204 N TRP A 83 -2.119 -18.079 -0.103 1.00 22.24 N ATOM 1205 CA TRP A 83 -2.708 -17.126 0.822 1.00 73.42 C ATOM 1206 C TRP A 83 -2.532 -15.713 0.308 1.00 2.11 C ATOM 1207 O TRP A 83 -3.484 -14.959 0.260 1.00 74.45 O ATOM 1208 CB TRP A 83 -2.135 -17.284 2.219 1.00 60.43 C ATOM 1209 CG TRP A 83 -2.564 -18.547 2.917 1.00 45.32 C ATOM 1210 CD1 TRP A 83 -3.205 -19.633 2.382 1.00 25.12 C ATOM 1211 CD2 TRP A 83 -2.388 -18.831 4.282 1.00 43.43 C ATOM 1212 NE1 TRP A 83 -3.403 -20.579 3.336 1.00 0.11 N ATOM 1213 CE2 TRP A 83 -2.931 -20.099 4.526 1.00 11.42 C ATOM 1214 CE3 TRP A 83 -1.819 -18.128 5.321 1.00 14.12 C ATOM 1215 CZ2 TRP A 83 -2.927 -20.668 5.774 1.00 52.10 C ATOM 1216 CZ3 TRP A 83 -1.806 -18.691 6.577 1.00 74.33 C ATOM 1217 CH2 TRP A 83 -2.363 -19.951 6.799 1.00 34.42 C ATOM 0 H TRP A 83 -1.333 -18.607 0.277 1.00 22.24 H new ATOM 0 HA TRP A 83 -3.776 -17.332 0.889 1.00 73.42 H new ATOM 0 HB2 TRP A 83 -1.047 -17.266 2.159 1.00 60.43 H new ATOM 0 HB3 TRP A 83 -2.435 -16.427 2.823 1.00 60.43 H new ATOM 0 HD1 TRP A 83 -3.509 -19.724 1.350 1.00 25.12 H new ATOM 0 HE1 TRP A 83 -3.831 -21.493 3.190 1.00 0.11 H new ATOM 0 HE3 TRP A 83 -1.390 -17.151 5.153 1.00 14.12 H new ATOM 0 HZ2 TRP A 83 -3.353 -21.646 5.944 1.00 52.10 H new ATOM 0 HZ3 TRP A 83 -1.360 -18.152 7.400 1.00 74.33 H new ATOM 0 HH2 TRP A 83 -2.350 -20.369 7.795 1.00 34.42 H new ATOM 1228 N ASN A 84 -1.312 -15.389 -0.092 1.00 22.04 N ATOM 1229 CA ASN A 84 -0.976 -14.110 -0.766 1.00 23.22 C ATOM 1230 C ASN A 84 -1.959 -13.853 -1.918 1.00 2.32 C ATOM 1231 O ASN A 84 -2.576 -12.773 -2.009 1.00 35.32 O ATOM 1232 CB ASN A 84 0.495 -14.179 -1.269 1.00 20.11 C ATOM 1233 CG ASN A 84 0.973 -13.013 -2.133 1.00 33.23 C ATOM 1234 OD1 ASN A 84 0.455 -11.892 -2.064 1.00 2.23 O ATOM 1235 ND2 ASN A 84 2.032 -13.246 -2.885 1.00 14.32 N ATOM 0 H ASN A 84 -0.507 -16.002 0.036 1.00 22.04 H new ATOM 0 HA ASN A 84 -1.065 -13.277 -0.068 1.00 23.22 H new ATOM 0 HB2 ASN A 84 1.150 -14.252 -0.401 1.00 20.11 H new ATOM 0 HB3 ASN A 84 0.618 -15.100 -1.839 1.00 20.11 H new ATOM 0 HD21 ASN A 84 2.446 -12.490 -3.431 1.00 14.32 H new ATOM 0 HD22 ASN A 84 2.436 -14.182 -2.921 1.00 14.32 H new ATOM 1242 N GLN A 85 -2.167 -14.877 -2.738 1.00 71.43 N ATOM 1243 CA GLN A 85 -3.118 -14.816 -3.835 1.00 2.43 C ATOM 1244 C GLN A 85 -4.549 -14.588 -3.308 1.00 43.52 C ATOM 1245 O GLN A 85 -5.263 -13.726 -3.810 1.00 20.45 O ATOM 1246 CB GLN A 85 -3.063 -16.099 -4.684 1.00 73.24 C ATOM 1247 CG GLN A 85 -4.022 -16.090 -5.875 1.00 12.04 C ATOM 1248 CD GLN A 85 -3.723 -14.974 -6.867 1.00 72.50 C ATOM 1249 OE1 GLN A 85 -2.588 -14.570 -7.042 1.00 61.14 O ATOM 1250 NE2 GLN A 85 -4.745 -14.439 -7.478 1.00 14.11 N ATOM 0 H GLN A 85 -1.681 -15.770 -2.659 1.00 71.43 H new ATOM 0 HA GLN A 85 -2.842 -13.972 -4.467 1.00 2.43 H new ATOM 0 HB2 GLN A 85 -2.046 -16.239 -5.049 1.00 73.24 H new ATOM 0 HB3 GLN A 85 -3.294 -16.954 -4.049 1.00 73.24 H new ATOM 0 HG2 GLN A 85 -3.966 -17.050 -6.388 1.00 12.04 H new ATOM 0 HG3 GLN A 85 -5.044 -15.982 -5.512 1.00 12.04 H new ATOM 0 HE21 GLN A 85 -5.685 -14.799 -7.311 1.00 14.11 H new ATOM 0 HE22 GLN A 85 -4.604 -13.661 -8.122 1.00 14.11 H new ATOM 1259 N LEU A 86 -4.940 -15.341 -2.280 1.00 21.51 N ATOM 1260 CA LEU A 86 -6.279 -15.251 -1.674 1.00 52.42 C ATOM 1261 C LEU A 86 -6.546 -13.871 -1.086 1.00 72.41 C ATOM 1262 O LEU A 86 -7.675 -13.426 -1.043 1.00 22.32 O ATOM 1263 CB LEU A 86 -6.472 -16.304 -0.565 1.00 74.43 C ATOM 1264 CG LEU A 86 -6.339 -17.776 -0.972 1.00 52.42 C ATOM 1265 CD1 LEU A 86 -6.444 -18.651 0.235 1.00 61.00 C ATOM 1266 CD2 LEU A 86 -7.400 -18.177 -1.975 1.00 11.12 C ATOM 0 H LEU A 86 -4.338 -16.036 -1.838 1.00 21.51 H new ATOM 0 HA LEU A 86 -6.987 -15.439 -2.481 1.00 52.42 H new ATOM 0 HB2 LEU A 86 -5.746 -16.103 0.223 1.00 74.43 H new ATOM 0 HB3 LEU A 86 -7.461 -16.161 -0.130 1.00 74.43 H new ATOM 0 HG LEU A 86 -5.362 -17.901 -1.440 1.00 52.42 H new ATOM 0 HD11 LEU A 86 -6.348 -19.695 -0.063 1.00 61.00 H new ATOM 0 HD12 LEU A 86 -5.649 -18.400 0.937 1.00 61.00 H new ATOM 0 HD13 LEU A 86 -7.412 -18.497 0.713 1.00 61.00 H new ATOM 0 HD21 LEU A 86 -7.273 -19.227 -2.239 1.00 11.12 H new ATOM 0 HD22 LEU A 86 -8.388 -18.030 -1.538 1.00 11.12 H new ATOM 0 HD23 LEU A 86 -7.304 -17.563 -2.871 1.00 11.12 H new ATOM 1278 N MET A 87 -5.494 -13.183 -0.687 1.00 21.42 N ATOM 1279 CA MET A 87 -5.619 -11.886 -0.030 1.00 33.22 C ATOM 1280 C MET A 87 -5.814 -10.831 -1.076 1.00 10.12 C ATOM 1281 O MET A 87 -6.673 -9.944 -0.958 1.00 10.32 O ATOM 1282 CB MET A 87 -4.374 -11.572 0.813 1.00 74.24 C ATOM 1283 CG MET A 87 -4.135 -12.558 1.942 1.00 31.33 C ATOM 1284 SD MET A 87 -2.629 -12.232 2.874 1.00 51.33 S ATOM 1285 CE MET A 87 -3.045 -10.686 3.663 1.00 12.30 C ATOM 0 H MET A 87 -4.532 -13.500 -0.806 1.00 21.42 H new ATOM 0 HA MET A 87 -6.477 -11.908 0.642 1.00 33.22 H new ATOM 0 HB2 MET A 87 -3.500 -11.560 0.162 1.00 74.24 H new ATOM 0 HB3 MET A 87 -4.473 -10.571 1.232 1.00 74.24 H new ATOM 0 HG2 MET A 87 -4.986 -12.533 2.622 1.00 31.33 H new ATOM 0 HG3 MET A 87 -4.087 -13.566 1.529 1.00 31.33 H new ATOM 0 HE1 MET A 87 -2.308 -10.461 4.434 1.00 12.30 H new ATOM 0 HE2 MET A 87 -3.048 -9.888 2.921 1.00 12.30 H new ATOM 0 HE3 MET A 87 -4.033 -10.763 4.117 1.00 12.30 H new ATOM 1295 N LEU A 88 -5.051 -10.968 -2.126 1.00 22.31 N ATOM 1296 CA LEU A 88 -5.104 -10.119 -3.251 1.00 42.13 C ATOM 1297 C LEU A 88 -6.443 -10.290 -3.963 1.00 31.12 C ATOM 1298 O LEU A 88 -7.075 -9.315 -4.363 1.00 15.42 O ATOM 1299 CB LEU A 88 -3.939 -10.494 -4.159 1.00 43.41 C ATOM 1300 CG LEU A 88 -4.138 -10.223 -5.607 1.00 50.21 C ATOM 1301 CD1 LEU A 88 -4.162 -8.715 -5.900 1.00 44.14 C ATOM 1302 CD2 LEU A 88 -3.121 -10.954 -6.458 1.00 43.55 C ATOM 0 H LEU A 88 -4.353 -11.707 -2.210 1.00 22.31 H new ATOM 0 HA LEU A 88 -5.022 -9.071 -2.962 1.00 42.13 H new ATOM 0 HB2 LEU A 88 -3.053 -9.953 -3.825 1.00 43.41 H new ATOM 0 HB3 LEU A 88 -3.731 -11.556 -4.032 1.00 43.41 H new ATOM 0 HG LEU A 88 -5.117 -10.615 -5.881 1.00 50.21 H new ATOM 0 HD11 LEU A 88 -4.309 -8.554 -6.968 1.00 44.14 H new ATOM 0 HD12 LEU A 88 -4.978 -8.250 -5.347 1.00 44.14 H new ATOM 0 HD13 LEU A 88 -3.216 -8.270 -5.593 1.00 44.14 H new ATOM 0 HD21 LEU A 88 -3.299 -10.731 -7.510 1.00 43.55 H new ATOM 0 HD22 LEU A 88 -2.117 -10.631 -6.183 1.00 43.55 H new ATOM 0 HD23 LEU A 88 -3.214 -12.028 -6.294 1.00 43.55 H new ATOM 1314 N SER A 89 -6.900 -11.527 -4.042 1.00 23.44 N ATOM 1315 CA SER A 89 -8.148 -11.843 -4.700 1.00 31.43 C ATOM 1316 C SER A 89 -9.356 -11.446 -3.813 1.00 21.02 C ATOM 1317 O SER A 89 -10.514 -11.787 -4.100 1.00 74.11 O ATOM 1318 CB SER A 89 -8.199 -13.334 -5.048 1.00 1.31 C ATOM 1319 OG SER A 89 -7.062 -13.713 -5.819 1.00 74.22 O ATOM 0 H SER A 89 -6.416 -12.336 -3.652 1.00 23.44 H new ATOM 0 HA SER A 89 -8.207 -11.267 -5.624 1.00 31.43 H new ATOM 0 HB2 SER A 89 -8.237 -13.925 -4.133 1.00 1.31 H new ATOM 0 HB3 SER A 89 -9.110 -13.551 -5.605 1.00 1.31 H new ATOM 0 HG SER A 89 -6.255 -13.647 -5.266 1.00 74.22 H new