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 17 HIS : no HE2:sc= 1.25 K(o=-0.11,f=-5.7!) USER MOD Set 1.2: A 67 TYR OH : rot 19:sc= 0.304 USER MOD Set 1.3: A 87 MET CE :methyl 154:sc= -1.66 (180deg=-4.37!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ 143:sc= 0.844 (180deg=-0.0819) USER MOD Set 2.2: A 65 ASN : amide:sc= 1.65 K(o=2.5,f=-8.2!) USER MOD Set 3.1: A 44 ASN : amide:sc= -0.726 K(o=-0.73,f=-5.6!) USER MOD Set 3.2: A 47 GLN : amide:sc= 0 K(o=-0.73,f=-2.5) USER MOD Set 4.1: A 40 HIS : no HE2:sc= -0.775! C(o=0.32!,f=-4.7!) USER MOD Set 4.2: A 43 SER OG : rot 110:sc= 1.09 USER MOD Single : A 21 TYR OH : rot 66:sc= 2.17 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0.417 K(o=0.42,f=-0.087) USER MOD Single : A 30 GLN : amide:sc= 1.73 K(o=1.7,f=-5.6!) USER MOD Single : A 33 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.049) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.468 USER MOD Single : A 37 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.11) USER MOD Single : A 38 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.68) USER MOD Single : A 56 MET CE :methyl 152:sc= -0.551 (180deg=-2.64!) USER MOD Single : A 60 HIS : no HE2:sc= 0.858 K(o=0.86,f=-3.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.389 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 77:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -3.635 -4.605 0.014 1.00 54.20 N ATOM 52 CA HIS A 17 -3.917 -5.408 1.224 1.00 3.34 C ATOM 53 C HIS A 17 -2.963 -6.579 1.331 1.00 4.34 C ATOM 54 O HIS A 17 -2.692 -7.068 2.403 1.00 0.31 O ATOM 55 CB HIS A 17 -5.367 -5.870 1.304 1.00 51.04 C ATOM 56 CG HIS A 17 -6.153 -5.201 2.399 1.00 45.21 C ATOM 57 ND1 HIS A 17 -5.950 -5.435 3.751 1.00 33.15 N ATOM 58 CD2 HIS A 17 -7.170 -4.306 2.328 1.00 74.04 C ATOM 59 CE1 HIS A 17 -6.831 -4.706 4.435 1.00 14.44 C ATOM 60 NE2 HIS A 17 -7.601 -3.997 3.620 1.00 73.13 N ATOM 0 HA HIS A 17 -3.756 -4.751 2.079 1.00 3.34 H new ATOM 0 HB2 HIS A 17 -5.854 -5.677 0.348 1.00 51.04 H new ATOM 0 HB3 HIS A 17 -5.388 -6.949 1.460 1.00 51.04 H new ATOM 0 HD1 HIS A 17 -5.248 -6.057 4.152 1.00 33.15 H new ATOM 0 HD2 HIS A 17 -7.581 -3.897 1.417 1.00 74.04 H new ATOM 0 HE1 HIS A 17 -6.908 -4.694 5.512 1.00 14.44 H new ATOM 68 N ALA A 18 -2.378 -6.965 0.206 1.00 61.25 N ATOM 69 CA ALA A 18 -1.295 -7.937 0.177 1.00 73.23 C ATOM 70 C ALA A 18 -0.125 -7.467 1.097 1.00 1.53 C ATOM 71 O ALA A 18 0.786 -8.206 1.397 1.00 25.02 O ATOM 72 CB ALA A 18 -0.853 -8.230 -1.239 1.00 53.05 C ATOM 0 H ALA A 18 -2.642 -6.612 -0.714 1.00 61.25 H new ATOM 0 HA ALA A 18 -1.659 -8.884 0.577 1.00 73.23 H new ATOM 0 HB1 ALA A 18 -0.043 -8.959 -1.224 1.00 53.05 H new ATOM 0 HB2 ALA A 18 -1.693 -8.632 -1.806 1.00 53.05 H new ATOM 0 HB3 ALA A 18 -0.504 -7.310 -1.709 1.00 53.05 H new ATOM 78 N ALA A 19 -0.147 -6.185 1.466 1.00 52.40 N ATOM 79 CA ALA A 19 0.714 -5.613 2.482 1.00 12.54 C ATOM 80 C ALA A 19 0.627 -6.427 3.796 1.00 61.21 C ATOM 81 O ALA A 19 1.608 -6.531 4.525 1.00 14.42 O ATOM 82 CB ALA A 19 0.311 -4.160 2.741 1.00 1.42 C ATOM 0 H ALA A 19 -0.784 -5.505 1.051 1.00 52.40 H new ATOM 0 HA ALA A 19 1.743 -5.646 2.125 1.00 12.54 H new ATOM 0 HB1 ALA A 19 0.960 -3.733 3.505 1.00 1.42 H new ATOM 0 HB2 ALA A 19 0.409 -3.586 1.820 1.00 1.42 H new ATOM 0 HB3 ALA A 19 -0.723 -4.125 3.083 1.00 1.42 H new ATOM 88 N ASP A 20 -0.556 -7.007 4.078 1.00 4.43 N ATOM 89 CA ASP A 20 -0.737 -7.895 5.242 1.00 1.42 C ATOM 90 C ASP A 20 0.138 -9.124 5.066 1.00 43.33 C ATOM 91 O ASP A 20 0.733 -9.613 6.014 1.00 63.14 O ATOM 92 CB ASP A 20 -2.203 -8.367 5.430 1.00 11.22 C ATOM 93 CG ASP A 20 -3.195 -7.317 5.887 1.00 63.11 C ATOM 94 OD1 ASP A 20 -3.262 -7.040 7.097 1.00 43.42 O ATOM 95 OD2 ASP A 20 -3.963 -6.812 5.033 1.00 21.21 O ATOM 0 H ASP A 20 -1.398 -6.877 3.517 1.00 4.43 H new ATOM 0 HA ASP A 20 -0.460 -7.319 6.125 1.00 1.42 H new ATOM 0 HB2 ASP A 20 -2.553 -8.779 4.484 1.00 11.22 H new ATOM 0 HB3 ASP A 20 -2.210 -9.182 6.154 1.00 11.22 H new ATOM 100 N TYR A 21 0.248 -9.590 3.814 1.00 14.42 N ATOM 101 CA TYR A 21 1.089 -10.765 3.451 1.00 72.22 C ATOM 102 C TYR A 21 2.526 -10.518 3.823 1.00 52.25 C ATOM 103 O TYR A 21 3.238 -11.420 4.238 1.00 20.30 O ATOM 104 CB TYR A 21 0.938 -11.117 1.940 1.00 14.21 C ATOM 105 CG TYR A 21 2.207 -11.572 1.201 1.00 50.21 C ATOM 106 CD1 TYR A 21 2.693 -12.874 1.291 1.00 22.05 C ATOM 107 CD2 TYR A 21 2.904 -10.681 0.389 1.00 30.43 C ATOM 108 CE1 TYR A 21 3.809 -13.264 0.605 1.00 10.22 C ATOM 109 CE2 TYR A 21 4.027 -11.074 -0.303 1.00 14.24 C ATOM 110 CZ TYR A 21 4.473 -12.369 -0.192 1.00 44.40 C ATOM 111 OH TYR A 21 5.587 -12.771 -0.880 1.00 73.23 O ATOM 0 H TYR A 21 -0.237 -9.173 3.019 1.00 14.42 H new ATOM 0 HA TYR A 21 0.741 -11.628 4.019 1.00 72.22 H new ATOM 0 HB2 TYR A 21 0.191 -11.906 1.849 1.00 14.21 H new ATOM 0 HB3 TYR A 21 0.542 -10.241 1.426 1.00 14.21 H new ATOM 0 HD1 TYR A 21 2.178 -13.589 1.915 1.00 22.05 H new ATOM 0 HD2 TYR A 21 2.557 -9.662 0.301 1.00 30.43 H new ATOM 0 HE1 TYR A 21 4.168 -14.279 0.691 1.00 10.22 H new ATOM 0 HE2 TYR A 21 4.554 -10.369 -0.929 1.00 14.24 H new ATOM 0 HH TYR A 21 5.332 -13.432 -1.558 1.00 73.23 H new ATOM 121 N GLN A 22 2.922 -9.287 3.709 1.00 30.53 N ATOM 122 CA GLN A 22 4.239 -8.858 4.079 1.00 15.45 C ATOM 123 C GLN A 22 4.475 -9.081 5.576 1.00 50.44 C ATOM 124 O GLN A 22 5.519 -9.595 5.965 1.00 10.24 O ATOM 125 CB GLN A 22 4.415 -7.411 3.648 1.00 10.15 C ATOM 126 CG GLN A 22 5.617 -6.687 4.186 1.00 1.44 C ATOM 127 CD GLN A 22 5.798 -5.381 3.439 1.00 43.25 C ATOM 128 OE1 GLN A 22 5.226 -4.337 3.798 1.00 12.02 O ATOM 129 NE2 GLN A 22 6.565 -5.431 2.386 1.00 4.20 N ATOM 0 H GLN A 22 2.330 -8.538 3.350 1.00 30.53 H new ATOM 0 HA GLN A 22 4.998 -9.451 3.569 1.00 15.45 H new ATOM 0 HB2 GLN A 22 4.461 -7.384 2.559 1.00 10.15 H new ATOM 0 HB3 GLN A 22 3.524 -6.857 3.944 1.00 10.15 H new ATOM 0 HG2 GLN A 22 5.492 -6.494 5.251 1.00 1.44 H new ATOM 0 HG3 GLN A 22 6.507 -7.307 4.077 1.00 1.44 H new ATOM 0 HE21 GLN A 22 7.016 -6.308 2.125 1.00 4.20 H new ATOM 0 HE22 GLN A 22 6.714 -4.593 1.823 1.00 4.20 H new ATOM 138 N GLN A 23 3.471 -8.774 6.394 1.00 15.43 N ATOM 139 CA GLN A 23 3.577 -9.005 7.830 1.00 11.02 C ATOM 140 C GLN A 23 3.471 -10.511 8.108 1.00 23.12 C ATOM 141 O GLN A 23 4.182 -11.064 8.955 1.00 43.04 O ATOM 142 CB GLN A 23 2.463 -8.283 8.619 1.00 12.55 C ATOM 143 CG GLN A 23 2.581 -8.439 10.141 1.00 33.21 C ATOM 144 CD GLN A 23 3.918 -7.951 10.698 1.00 31.03 C ATOM 145 OE1 GLN A 23 4.060 -6.792 11.057 1.00 13.45 O ATOM 146 NE2 GLN A 23 4.891 -8.841 10.772 1.00 52.51 N ATOM 0 H GLN A 23 2.585 -8.369 6.091 1.00 15.43 H new ATOM 0 HA GLN A 23 4.539 -8.609 8.156 1.00 11.02 H new ATOM 0 HB2 GLN A 23 2.483 -7.222 8.369 1.00 12.55 H new ATOM 0 HB3 GLN A 23 1.495 -8.668 8.298 1.00 12.55 H new ATOM 0 HG2 GLN A 23 1.773 -7.886 10.619 1.00 33.21 H new ATOM 0 HG3 GLN A 23 2.448 -9.489 10.403 1.00 33.21 H new ATOM 0 HE21 GLN A 23 4.730 -9.799 10.461 1.00 52.51 H new ATOM 0 HE22 GLN A 23 5.803 -8.570 11.140 1.00 52.51 H new ATOM 155 N LEU A 24 2.554 -11.148 7.393 1.00 41.33 N ATOM 156 CA LEU A 24 2.302 -12.579 7.491 1.00 10.32 C ATOM 157 C LEU A 24 3.553 -13.373 7.254 1.00 23.01 C ATOM 158 O LEU A 24 3.942 -14.178 8.084 1.00 15.42 O ATOM 159 CB LEU A 24 1.253 -13.002 6.472 1.00 54.33 C ATOM 160 CG LEU A 24 0.965 -14.496 6.404 1.00 51.14 C ATOM 161 CD1 LEU A 24 0.298 -14.992 7.669 1.00 22.20 C ATOM 162 CD2 LEU A 24 0.140 -14.827 5.197 1.00 3.43 C ATOM 0 H LEU A 24 1.954 -10.676 6.717 1.00 41.33 H new ATOM 0 HA LEU A 24 1.943 -12.777 8.501 1.00 10.32 H new ATOM 0 HB2 LEU A 24 0.323 -12.481 6.698 1.00 54.33 H new ATOM 0 HB3 LEU A 24 1.575 -12.667 5.486 1.00 54.33 H new ATOM 0 HG LEU A 24 1.921 -15.012 6.314 1.00 51.14 H new ATOM 0 HD11 LEU A 24 0.108 -16.062 7.584 1.00 22.20 H new ATOM 0 HD12 LEU A 24 0.951 -14.806 8.522 1.00 22.20 H new ATOM 0 HD13 LEU A 24 -0.646 -14.466 7.813 1.00 22.20 H new ATOM 0 HD21 LEU A 24 -0.052 -15.900 5.171 1.00 3.43 H new ATOM 0 HD22 LEU A 24 -0.807 -14.290 5.245 1.00 3.43 H new ATOM 0 HD23 LEU A 24 0.679 -14.533 4.296 1.00 3.43 H new ATOM 174 N ARG A 25 4.182 -13.126 6.135 1.00 63.43 N ATOM 175 CA ARG A 25 5.334 -13.843 5.730 1.00 32.34 C ATOM 176 C ARG A 25 6.487 -13.625 6.699 1.00 4.42 C ATOM 177 O ARG A 25 7.233 -14.552 6.990 1.00 55.43 O ATOM 178 CB ARG A 25 5.695 -13.461 4.307 1.00 22.25 C ATOM 179 CG ARG A 25 6.746 -14.332 3.736 1.00 33.43 C ATOM 180 CD ARG A 25 6.875 -14.174 2.247 1.00 60.14 C ATOM 181 NE ARG A 25 7.870 -15.139 1.732 1.00 64.01 N ATOM 182 CZ ARG A 25 8.092 -15.425 0.446 1.00 2.22 C ATOM 183 NH1 ARG A 25 7.439 -14.783 -0.504 1.00 1.11 N ATOM 184 NH2 ARG A 25 8.983 -16.368 0.125 1.00 33.33 N ATOM 0 H ARG A 25 3.892 -12.404 5.476 1.00 63.43 H new ATOM 0 HA ARG A 25 5.118 -14.911 5.748 1.00 32.34 H new ATOM 0 HB2 ARG A 25 4.803 -13.515 3.682 1.00 22.25 H new ATOM 0 HB3 ARG A 25 6.035 -12.426 4.287 1.00 22.25 H new ATOM 0 HG2 ARG A 25 7.701 -14.101 4.207 1.00 33.43 H new ATOM 0 HG3 ARG A 25 6.519 -15.372 3.970 1.00 33.43 H new ATOM 0 HD2 ARG A 25 5.910 -14.340 1.768 1.00 60.14 H new ATOM 0 HD3 ARG A 25 7.180 -13.156 2.004 1.00 60.14 H new ATOM 0 HE ARG A 25 8.439 -15.631 2.421 1.00 64.01 H new ATOM 0 HH11 ARG A 25 6.759 -14.063 -0.259 1.00 1.11 H new ATOM 0 HH12 ARG A 25 7.614 -15.007 -1.484 1.00 1.11 H new ATOM 0 HH21 ARG A 25 9.488 -16.864 0.860 1.00 33.33 H new ATOM 0 HH22 ARG A 25 9.158 -16.592 -0.855 1.00 33.33 H new ATOM 198 N GLU A 26 6.576 -12.416 7.223 1.00 60.01 N ATOM 199 CA GLU A 26 7.567 -12.055 8.212 1.00 5.53 C ATOM 200 C GLU A 26 7.367 -12.921 9.470 1.00 74.22 C ATOM 201 O GLU A 26 8.283 -13.617 9.915 1.00 11.10 O ATOM 202 CB GLU A 26 7.409 -10.568 8.500 1.00 3.51 C ATOM 203 CG GLU A 26 8.546 -9.941 9.268 1.00 71.22 C ATOM 204 CD GLU A 26 8.535 -10.255 10.736 1.00 53.23 C ATOM 205 OE1 GLU A 26 7.566 -9.861 11.428 1.00 51.11 O ATOM 206 OE2 GLU A 26 9.466 -10.935 11.204 1.00 64.31 O ATOM 0 H GLU A 26 5.953 -11.650 6.968 1.00 60.01 H new ATOM 0 HA GLU A 26 8.581 -12.237 7.857 1.00 5.53 H new ATOM 0 HB2 GLU A 26 7.296 -10.040 7.553 1.00 3.51 H new ATOM 0 HB3 GLU A 26 6.486 -10.418 9.060 1.00 3.51 H new ATOM 0 HG2 GLU A 26 9.490 -10.280 8.841 1.00 71.22 H new ATOM 0 HG3 GLU A 26 8.507 -8.860 9.137 1.00 71.22 H new ATOM 213 N ARG A 27 6.139 -12.953 9.984 1.00 73.21 N ATOM 214 CA ARG A 27 5.844 -13.738 11.134 1.00 74.33 C ATOM 215 C ARG A 27 5.942 -15.238 10.850 1.00 62.24 C ATOM 216 O ARG A 27 6.316 -15.994 11.718 1.00 32.35 O ATOM 217 CB ARG A 27 4.500 -13.372 11.711 1.00 51.04 C ATOM 218 CG ARG A 27 4.128 -14.209 12.916 1.00 30.42 C ATOM 219 CD ARG A 27 5.179 -14.212 14.037 1.00 1.51 C ATOM 220 NE ARG A 27 4.930 -15.310 15.001 1.00 1.43 N ATOM 221 CZ ARG A 27 5.683 -15.601 16.072 1.00 13.51 C ATOM 222 NH1 ARG A 27 6.733 -14.844 16.399 1.00 62.21 N ATOM 223 NH2 ARG A 27 5.391 -16.681 16.796 1.00 0.15 N ATOM 0 H ARG A 27 5.345 -12.436 9.606 1.00 73.21 H new ATOM 0 HA ARG A 27 6.603 -13.510 11.882 1.00 74.33 H new ATOM 0 HB2 ARG A 27 4.506 -12.319 11.994 1.00 51.04 H new ATOM 0 HB3 ARG A 27 3.736 -13.491 10.943 1.00 51.04 H new ATOM 0 HG2 ARG A 27 3.185 -13.842 13.320 1.00 30.42 H new ATOM 0 HG3 ARG A 27 3.958 -15.236 12.591 1.00 30.42 H new ATOM 0 HD2 ARG A 27 6.174 -14.321 13.606 1.00 1.51 H new ATOM 0 HD3 ARG A 27 5.161 -13.255 14.559 1.00 1.51 H new ATOM 0 HE ARG A 27 4.113 -15.897 14.835 1.00 1.43 H new ATOM 0 HH11 ARG A 27 6.972 -14.031 15.831 1.00 62.21 H new ATOM 0 HH12 ARG A 27 7.296 -15.078 17.217 1.00 62.21 H new ATOM 0 HH21 ARG A 27 4.604 -17.274 16.533 1.00 0.15 H new ATOM 0 HH22 ARG A 27 5.955 -16.915 17.613 1.00 0.15 H new ATOM 237 N LEU A 28 5.640 -15.662 9.633 1.00 25.15 N ATOM 238 CA LEU A 28 5.740 -17.083 9.279 1.00 45.50 C ATOM 239 C LEU A 28 7.179 -17.538 9.323 1.00 33.32 C ATOM 240 O LEU A 28 7.466 -18.668 9.673 1.00 40.34 O ATOM 241 CB LEU A 28 5.090 -17.399 7.927 1.00 23.32 C ATOM 242 CG LEU A 28 3.559 -17.292 7.882 1.00 12.31 C ATOM 243 CD1 LEU A 28 3.044 -17.564 6.497 1.00 5.35 C ATOM 244 CD2 LEU A 28 2.922 -18.256 8.853 1.00 0.23 C ATOM 0 H LEU A 28 5.326 -15.055 8.875 1.00 25.15 H new ATOM 0 HA LEU A 28 5.178 -17.645 10.025 1.00 45.50 H new ATOM 0 HB2 LEU A 28 5.505 -16.724 7.179 1.00 23.32 H new ATOM 0 HB3 LEU A 28 5.374 -18.410 7.636 1.00 23.32 H new ATOM 0 HG LEU A 28 3.293 -16.274 8.167 1.00 12.31 H new ATOM 0 HD11 LEU A 28 1.957 -17.482 6.490 1.00 5.35 H new ATOM 0 HD12 LEU A 28 3.467 -16.838 5.803 1.00 5.35 H new ATOM 0 HD13 LEU A 28 3.334 -18.569 6.192 1.00 5.35 H new ATOM 0 HD21 LEU A 28 1.837 -18.160 8.802 1.00 0.23 H new ATOM 0 HD22 LEU A 28 3.209 -19.275 8.595 1.00 0.23 H new ATOM 0 HD23 LEU A 28 3.259 -18.029 9.865 1.00 0.23 H new ATOM 256 N ILE A 29 8.066 -16.637 8.994 1.00 13.41 N ATOM 257 CA ILE A 29 9.483 -16.861 9.123 1.00 14.15 C ATOM 258 C ILE A 29 9.811 -17.185 10.594 1.00 63.42 C ATOM 259 O ILE A 29 10.354 -18.241 10.898 1.00 72.33 O ATOM 260 CB ILE A 29 10.245 -15.597 8.631 1.00 34.01 C ATOM 261 CG1 ILE A 29 10.231 -15.529 7.096 1.00 4.10 C ATOM 262 CG2 ILE A 29 11.647 -15.502 9.199 1.00 44.43 C ATOM 263 CD1 ILE A 29 10.818 -14.260 6.522 1.00 41.43 C ATOM 0 H ILE A 29 7.824 -15.717 8.625 1.00 13.41 H new ATOM 0 HA ILE A 29 9.797 -17.707 8.511 1.00 14.15 H new ATOM 0 HB ILE A 29 9.717 -14.723 9.013 1.00 34.01 H new ATOM 0 HG12 ILE A 29 10.784 -16.382 6.702 1.00 4.10 H new ATOM 0 HG13 ILE A 29 9.202 -15.628 6.749 1.00 4.10 H new ATOM 0 HG21 ILE A 29 12.132 -14.601 8.822 1.00 44.43 H new ATOM 0 HG22 ILE A 29 11.597 -15.459 10.287 1.00 44.43 H new ATOM 0 HG23 ILE A 29 12.222 -16.377 8.897 1.00 44.43 H new ATOM 0 HD11 ILE A 29 10.768 -14.296 5.434 1.00 41.43 H new ATOM 0 HD12 ILE A 29 10.252 -13.401 6.883 1.00 41.43 H new ATOM 0 HD13 ILE A 29 11.858 -14.166 6.835 1.00 41.43 H new ATOM 275 N GLN A 30 9.395 -16.305 11.484 1.00 71.21 N ATOM 276 CA GLN A 30 9.621 -16.465 12.921 1.00 54.43 C ATOM 277 C GLN A 30 8.903 -17.720 13.473 1.00 62.10 C ATOM 278 O GLN A 30 9.489 -18.530 14.174 1.00 32.55 O ATOM 279 CB GLN A 30 9.050 -15.271 13.665 1.00 44.14 C ATOM 280 CG GLN A 30 9.613 -13.904 13.331 1.00 13.21 C ATOM 281 CD GLN A 30 8.912 -12.824 14.151 1.00 72.41 C ATOM 282 OE1 GLN A 30 8.459 -13.077 15.279 1.00 41.22 O ATOM 283 NE2 GLN A 30 8.775 -11.664 13.616 1.00 33.21 N ATOM 0 H GLN A 30 8.889 -15.454 11.238 1.00 71.21 H new ATOM 0 HA GLN A 30 10.697 -16.557 13.067 1.00 54.43 H new ATOM 0 HB2 GLN A 30 7.975 -15.245 13.485 1.00 44.14 H new ATOM 0 HB3 GLN A 30 9.191 -15.441 14.732 1.00 44.14 H new ATOM 0 HG2 GLN A 30 10.684 -13.885 13.534 1.00 13.21 H new ATOM 0 HG3 GLN A 30 9.486 -13.702 12.267 1.00 13.21 H new ATOM 0 HE21 GLN A 30 9.157 -11.482 12.688 1.00 33.21 H new ATOM 0 HE22 GLN A 30 8.285 -10.925 14.120 1.00 33.21 H new ATOM 292 N GLU A 31 7.629 -17.835 13.131 1.00 23.53 N ATOM 293 CA GLU A 31 6.703 -18.854 13.647 1.00 10.12 C ATOM 294 C GLU A 31 7.184 -20.277 13.334 1.00 34.01 C ATOM 295 O GLU A 31 7.108 -21.168 14.176 1.00 33.23 O ATOM 296 CB GLU A 31 5.330 -18.627 12.998 1.00 11.13 C ATOM 297 CG GLU A 31 4.166 -19.339 13.653 1.00 52.14 C ATOM 298 CD GLU A 31 3.829 -18.764 15.006 1.00 5.24 C ATOM 299 OE1 GLU A 31 3.276 -17.640 15.062 1.00 11.45 O ATOM 300 OE2 GLU A 31 4.088 -19.400 16.026 1.00 34.15 O ATOM 0 H GLU A 31 7.187 -17.203 12.463 1.00 23.53 H new ATOM 0 HA GLU A 31 6.649 -18.758 14.731 1.00 10.12 H new ATOM 0 HB2 GLU A 31 5.122 -17.557 12.996 1.00 11.13 H new ATOM 0 HB3 GLU A 31 5.385 -18.943 11.956 1.00 11.13 H new ATOM 0 HG2 GLU A 31 3.292 -19.273 13.005 1.00 52.14 H new ATOM 0 HG3 GLU A 31 4.404 -20.397 13.760 1.00 52.14 H new ATOM 307 N LEU A 32 7.661 -20.464 12.119 1.00 73.53 N ATOM 308 CA LEU A 32 8.115 -21.760 11.640 1.00 33.24 C ATOM 309 C LEU A 32 9.588 -21.998 11.958 1.00 71.24 C ATOM 310 O LEU A 32 10.131 -23.049 11.620 1.00 52.25 O ATOM 311 CB LEU A 32 7.910 -21.859 10.120 1.00 12.01 C ATOM 312 CG LEU A 32 6.477 -22.073 9.563 1.00 63.01 C ATOM 313 CD1 LEU A 32 5.482 -21.015 10.008 1.00 54.22 C ATOM 314 CD2 LEU A 32 6.541 -22.105 8.063 1.00 14.41 C ATOM 0 H LEU A 32 7.746 -19.717 11.430 1.00 73.53 H new ATOM 0 HA LEU A 32 7.525 -22.521 12.152 1.00 33.24 H new ATOM 0 HB2 LEU A 32 8.302 -20.944 9.676 1.00 12.01 H new ATOM 0 HB3 LEU A 32 8.529 -22.680 9.758 1.00 12.01 H new ATOM 0 HG LEU A 32 6.116 -23.019 9.967 1.00 63.01 H new ATOM 0 HD11 LEU A 32 4.504 -21.232 9.579 1.00 54.22 H new ATOM 0 HD12 LEU A 32 5.410 -21.018 11.096 1.00 54.22 H new ATOM 0 HD13 LEU A 32 5.817 -20.035 9.669 1.00 54.22 H new ATOM 0 HD21 LEU A 32 5.540 -22.255 7.659 1.00 14.41 H new ATOM 0 HD22 LEU A 32 6.943 -21.161 7.696 1.00 14.41 H new ATOM 0 HD23 LEU A 32 7.187 -22.923 7.744 1.00 14.41 H new ATOM 326 N ASN A 33 10.230 -21.005 12.602 1.00 43.41 N ATOM 327 CA ASN A 33 11.674 -21.048 12.941 1.00 54.53 C ATOM 328 C ASN A 33 12.482 -21.139 11.625 1.00 23.53 C ATOM 329 O ASN A 33 13.538 -21.776 11.525 1.00 12.55 O ATOM 330 CB ASN A 33 11.975 -22.249 13.892 1.00 52.50 C ATOM 331 CG ASN A 33 13.351 -22.194 14.572 1.00 4.32 C ATOM 332 OD1 ASN A 33 13.496 -21.651 15.661 1.00 51.23 O ATOM 333 ND2 ASN A 33 14.354 -22.754 13.950 1.00 1.13 N ATOM 0 H ASN A 33 9.766 -20.148 12.904 1.00 43.41 H new ATOM 0 HA ASN A 33 11.966 -20.143 13.473 1.00 54.53 H new ATOM 0 HB2 ASN A 33 11.205 -22.288 14.662 1.00 52.50 H new ATOM 0 HB3 ASN A 33 11.903 -23.175 13.321 1.00 52.50 H new ATOM 0 HD21 ASN A 33 15.283 -22.746 14.370 1.00 1.13 H new ATOM 0 HD22 ASN A 33 14.208 -23.200 13.044 1.00 1.13 H new ATOM 340 N LEU A 34 11.982 -20.457 10.629 1.00 4.31 N ATOM 341 CA LEU A 34 12.570 -20.456 9.325 1.00 3.25 C ATOM 342 C LEU A 34 13.228 -19.128 9.027 1.00 11.13 C ATOM 343 O LEU A 34 13.223 -18.223 9.845 1.00 70.44 O ATOM 344 CB LEU A 34 11.534 -20.826 8.238 1.00 33.24 C ATOM 345 CG LEU A 34 11.103 -22.291 8.184 1.00 75.45 C ATOM 346 CD1 LEU A 34 10.135 -22.511 7.040 1.00 52.02 C ATOM 347 CD2 LEU A 34 12.314 -23.209 8.043 1.00 30.43 C ATOM 0 H LEU A 34 11.144 -19.881 10.706 1.00 4.31 H new ATOM 0 HA LEU A 34 13.345 -21.222 9.311 1.00 3.25 H new ATOM 0 HB2 LEU A 34 10.645 -20.213 8.390 1.00 33.24 H new ATOM 0 HB3 LEU A 34 11.946 -20.555 7.266 1.00 33.24 H new ATOM 0 HG LEU A 34 10.600 -22.535 9.120 1.00 75.45 H new ATOM 0 HD11 LEU A 34 9.836 -23.559 7.013 1.00 52.02 H new ATOM 0 HD12 LEU A 34 9.254 -21.886 7.184 1.00 52.02 H new ATOM 0 HD13 LEU A 34 10.618 -22.247 6.099 1.00 52.02 H new ATOM 0 HD21 LEU A 34 11.982 -24.247 8.007 1.00 30.43 H new ATOM 0 HD22 LEU A 34 12.849 -22.967 7.125 1.00 30.43 H new ATOM 0 HD23 LEU A 34 12.977 -23.070 8.897 1.00 30.43 H new ATOM 359 N THR A 35 13.819 -19.026 7.873 1.00 42.34 N ATOM 360 CA THR A 35 14.473 -17.824 7.458 1.00 73.24 C ATOM 361 C THR A 35 13.871 -17.396 6.115 1.00 42.31 C ATOM 362 O THR A 35 13.231 -18.222 5.458 1.00 71.04 O ATOM 363 CB THR A 35 16.004 -18.058 7.337 1.00 11.14 C ATOM 364 OG1 THR A 35 16.256 -19.153 6.458 1.00 22.14 O ATOM 365 CG2 THR A 35 16.619 -18.364 8.697 1.00 3.44 C ATOM 0 H THR A 35 13.860 -19.782 7.189 1.00 42.34 H new ATOM 0 HA THR A 35 14.323 -17.034 8.194 1.00 73.24 H new ATOM 0 HB THR A 35 16.455 -17.148 6.943 1.00 11.14 H new ATOM 0 HG1 THR A 35 17.223 -19.296 6.383 1.00 22.14 H new ATOM 0 HG21 THR A 35 17.691 -18.524 8.584 1.00 3.44 H new ATOM 0 HG22 THR A 35 16.446 -17.525 9.371 1.00 3.44 H new ATOM 0 HG23 THR A 35 16.160 -19.262 9.110 1.00 3.44 H new ATOM 373 N PRO A 36 14.069 -16.124 5.676 1.00 4.23 N ATOM 374 CA PRO A 36 13.475 -15.594 4.419 1.00 14.45 C ATOM 375 C PRO A 36 13.725 -16.455 3.157 1.00 34.43 C ATOM 376 O PRO A 36 12.971 -16.379 2.197 1.00 74.23 O ATOM 377 CB PRO A 36 14.154 -14.231 4.257 1.00 51.04 C ATOM 378 CG PRO A 36 14.509 -13.814 5.639 1.00 43.02 C ATOM 379 CD PRO A 36 14.842 -15.074 6.388 1.00 2.23 C ATOM 0 HA PRO A 36 12.388 -15.570 4.501 1.00 14.45 H new ATOM 0 HB2 PRO A 36 15.040 -14.303 3.626 1.00 51.04 H new ATOM 0 HB3 PRO A 36 13.486 -13.510 3.786 1.00 51.04 H new ATOM 0 HG2 PRO A 36 15.357 -13.130 5.633 1.00 43.02 H new ATOM 0 HG3 PRO A 36 13.679 -13.289 6.112 1.00 43.02 H new ATOM 0 HD2 PRO A 36 15.912 -15.281 6.367 1.00 2.23 H new ATOM 0 HD3 PRO A 36 14.552 -15.005 7.436 1.00 2.23 H new ATOM 387 N GLN A 37 14.791 -17.238 3.158 1.00 23.22 N ATOM 388 CA GLN A 37 15.122 -18.072 1.998 1.00 45.43 C ATOM 389 C GLN A 37 14.656 -19.506 2.164 1.00 2.02 C ATOM 390 O GLN A 37 14.563 -20.238 1.201 1.00 20.23 O ATOM 391 CB GLN A 37 16.610 -17.998 1.675 1.00 33.25 C ATOM 392 CG GLN A 37 17.070 -16.611 1.243 1.00 31.35 C ATOM 393 CD GLN A 37 16.459 -16.169 -0.081 1.00 21.04 C ATOM 394 OE1 GLN A 37 17.020 -16.400 -1.134 1.00 11.05 O ATOM 395 NE2 GLN A 37 15.304 -15.547 -0.036 1.00 11.24 N ATOM 0 H GLN A 37 15.442 -17.319 3.939 1.00 23.22 H new ATOM 0 HA GLN A 37 14.574 -17.667 1.147 1.00 45.43 H new ATOM 0 HB2 GLN A 37 17.180 -18.304 2.552 1.00 33.25 H new ATOM 0 HB3 GLN A 37 16.838 -18.711 0.882 1.00 33.25 H new ATOM 0 HG2 GLN A 37 16.808 -15.890 2.017 1.00 31.35 H new ATOM 0 HG3 GLN A 37 18.157 -16.605 1.156 1.00 31.35 H new ATOM 0 HE21 GLN A 37 14.856 -15.367 0.863 1.00 11.24 H new ATOM 0 HE22 GLN A 37 14.854 -15.244 -0.900 1.00 11.24 H new ATOM 404 N GLN A 38 14.365 -19.898 3.386 1.00 21.45 N ATOM 405 CA GLN A 38 13.845 -21.239 3.628 1.00 11.42 C ATOM 406 C GLN A 38 12.346 -21.195 3.501 1.00 63.34 C ATOM 407 O GLN A 38 11.701 -22.151 3.100 1.00 42.31 O ATOM 408 CB GLN A 38 14.231 -21.742 5.022 1.00 60.31 C ATOM 409 CG GLN A 38 15.722 -21.944 5.221 1.00 20.24 C ATOM 410 CD GLN A 38 16.298 -23.026 4.326 1.00 2.11 C ATOM 411 OE1 GLN A 38 15.634 -23.979 3.984 1.00 42.31 O ATOM 412 NE2 GLN A 38 17.537 -22.873 3.939 1.00 1.24 N ATOM 0 H GLN A 38 14.475 -19.322 4.220 1.00 21.45 H new ATOM 0 HA GLN A 38 14.274 -21.925 2.898 1.00 11.42 H new ATOM 0 HB2 GLN A 38 13.870 -21.031 5.765 1.00 60.31 H new ATOM 0 HB3 GLN A 38 13.720 -22.686 5.209 1.00 60.31 H new ATOM 0 HG2 GLN A 38 16.240 -21.005 5.026 1.00 20.24 H new ATOM 0 HG3 GLN A 38 15.912 -22.202 6.263 1.00 20.24 H new ATOM 0 HE21 GLN A 38 18.070 -22.059 4.245 1.00 1.24 H new ATOM 0 HE22 GLN A 38 17.971 -23.568 3.331 1.00 1.24 H new ATOM 421 N LEU A 39 11.799 -20.056 3.825 1.00 14.50 N ATOM 422 CA LEU A 39 10.402 -19.862 3.749 1.00 33.04 C ATOM 423 C LEU A 39 10.051 -19.291 2.372 1.00 44.54 C ATOM 424 O LEU A 39 9.992 -18.063 2.148 1.00 63.23 O ATOM 425 CB LEU A 39 9.921 -19.007 4.955 1.00 64.04 C ATOM 426 CG LEU A 39 8.414 -18.852 5.218 1.00 13.23 C ATOM 427 CD1 LEU A 39 7.802 -17.789 4.353 1.00 24.01 C ATOM 428 CD2 LEU A 39 7.694 -20.167 5.016 1.00 2.21 C ATOM 0 H LEU A 39 12.322 -19.242 4.148 1.00 14.50 H new ATOM 0 HA LEU A 39 9.861 -20.805 3.833 1.00 33.04 H new ATOM 0 HB2 LEU A 39 10.368 -19.430 5.855 1.00 64.04 H new ATOM 0 HB3 LEU A 39 10.336 -18.007 4.833 1.00 64.04 H new ATOM 0 HG LEU A 39 8.300 -18.543 6.257 1.00 13.23 H new ATOM 0 HD11 LEU A 39 6.737 -17.712 4.570 1.00 24.01 H new ATOM 0 HD12 LEU A 39 8.284 -16.833 4.556 1.00 24.01 H new ATOM 0 HD13 LEU A 39 7.940 -18.050 3.304 1.00 24.01 H new ATOM 0 HD21 LEU A 39 6.630 -20.032 5.208 1.00 2.21 H new ATOM 0 HD22 LEU A 39 7.838 -20.507 3.990 1.00 2.21 H new ATOM 0 HD23 LEU A 39 8.095 -20.911 5.704 1.00 2.21 H new ATOM 440 N HIS A 40 9.965 -20.197 1.437 1.00 75.23 N ATOM 441 CA HIS A 40 9.568 -19.908 0.075 1.00 53.52 C ATOM 442 C HIS A 40 8.055 -19.735 -0.015 1.00 15.02 C ATOM 443 O HIS A 40 7.336 -20.057 0.932 1.00 5.24 O ATOM 444 CB HIS A 40 10.151 -20.917 -0.970 1.00 75.01 C ATOM 445 CG HIS A 40 9.754 -22.376 -0.858 1.00 23.52 C ATOM 446 ND1 HIS A 40 9.233 -23.097 -1.904 1.00 10.35 N ATOM 447 CD2 HIS A 40 9.885 -23.258 0.163 1.00 74.31 C ATOM 448 CE1 HIS A 40 9.058 -24.353 -1.506 1.00 53.13 C ATOM 449 NE2 HIS A 40 9.439 -24.511 -0.256 1.00 12.31 N ATOM 0 H HIS A 40 10.173 -21.182 1.599 1.00 75.23 H new ATOM 0 HA HIS A 40 10.018 -18.955 -0.204 1.00 53.52 H new ATOM 0 HB2 HIS A 40 9.865 -20.570 -1.963 1.00 75.01 H new ATOM 0 HB3 HIS A 40 11.238 -20.863 -0.914 1.00 75.01 H new ATOM 0 HD1 HIS A 40 9.017 -22.730 -2.831 1.00 10.35 H new ATOM 0 HD2 HIS A 40 10.273 -23.027 1.144 1.00 74.31 H new ATOM 0 HE1 HIS A 40 8.656 -25.140 -2.127 1.00 53.13 H new ATOM 457 N GLU A 41 7.579 -19.211 -1.109 1.00 72.11 N ATOM 458 CA GLU A 41 6.175 -18.851 -1.245 1.00 73.04 C ATOM 459 C GLU A 41 5.332 -20.145 -1.311 1.00 12.14 C ATOM 460 O GLU A 41 4.249 -20.260 -0.729 1.00 53.11 O ATOM 461 CB GLU A 41 6.011 -18.051 -2.549 1.00 34.14 C ATOM 462 CG GLU A 41 4.752 -17.224 -2.641 1.00 4.40 C ATOM 463 CD GLU A 41 4.802 -16.023 -1.740 1.00 42.31 C ATOM 464 OE1 GLU A 41 4.554 -16.159 -0.546 1.00 72.42 O ATOM 465 OE2 GLU A 41 5.128 -14.923 -2.232 1.00 31.01 O ATOM 0 H GLU A 41 8.143 -19.017 -1.937 1.00 72.11 H new ATOM 0 HA GLU A 41 5.843 -18.251 -0.398 1.00 73.04 H new ATOM 0 HB2 GLU A 41 6.870 -17.390 -2.661 1.00 34.14 H new ATOM 0 HB3 GLU A 41 6.032 -18.746 -3.388 1.00 34.14 H new ATOM 0 HG2 GLU A 41 4.606 -16.899 -3.671 1.00 4.40 H new ATOM 0 HG3 GLU A 41 3.893 -17.840 -2.376 1.00 4.40 H new ATOM 472 N GLU A 42 5.892 -21.122 -1.964 1.00 61.34 N ATOM 473 CA GLU A 42 5.249 -22.398 -2.231 1.00 25.52 C ATOM 474 C GLU A 42 5.337 -23.348 -1.024 1.00 13.32 C ATOM 475 O GLU A 42 4.882 -24.488 -1.110 1.00 71.52 O ATOM 476 CB GLU A 42 5.897 -23.091 -3.461 1.00 23.20 C ATOM 477 CG GLU A 42 6.421 -22.157 -4.575 1.00 23.15 C ATOM 478 CD GLU A 42 7.768 -21.527 -4.216 1.00 52.03 C ATOM 479 OE1 GLU A 42 8.785 -22.191 -4.383 1.00 71.35 O ATOM 480 OE2 GLU A 42 7.797 -20.402 -3.680 1.00 11.11 O ATOM 0 H GLU A 42 6.838 -21.061 -2.341 1.00 61.34 H new ATOM 0 HA GLU A 42 4.199 -22.185 -2.433 1.00 25.52 H new ATOM 0 HB2 GLU A 42 6.727 -23.705 -3.110 1.00 23.20 H new ATOM 0 HB3 GLU A 42 5.163 -23.768 -3.899 1.00 23.20 H new ATOM 0 HG2 GLU A 42 6.522 -22.721 -5.502 1.00 23.15 H new ATOM 0 HG3 GLU A 42 5.691 -21.369 -4.759 1.00 23.15 H new ATOM 487 N SER A 43 5.935 -22.886 0.076 1.00 34.33 N ATOM 488 CA SER A 43 6.049 -23.692 1.294 1.00 41.24 C ATOM 489 C SER A 43 4.697 -24.220 1.757 1.00 62.33 C ATOM 490 O SER A 43 3.761 -23.433 1.990 1.00 5.21 O ATOM 491 CB SER A 43 6.619 -22.864 2.449 1.00 15.50 C ATOM 492 OG SER A 43 7.862 -22.309 2.137 1.00 52.12 O ATOM 0 H SER A 43 6.349 -21.956 0.149 1.00 34.33 H new ATOM 0 HA SER A 43 6.710 -24.521 1.041 1.00 41.24 H new ATOM 0 HB2 SER A 43 5.920 -22.067 2.702 1.00 15.50 H new ATOM 0 HB3 SER A 43 6.716 -23.495 3.333 1.00 15.50 H new ATOM 0 HG SER A 43 7.772 -21.338 2.041 1.00 52.12 H new ATOM 498 N ASN A 44 4.577 -25.536 1.852 1.00 2.22 N ATOM 499 CA ASN A 44 3.430 -26.129 2.506 1.00 63.11 C ATOM 500 C ASN A 44 3.616 -25.781 3.957 1.00 71.34 C ATOM 501 O ASN A 44 4.520 -26.298 4.593 1.00 42.11 O ATOM 502 CB ASN A 44 3.405 -27.667 2.342 1.00 13.24 C ATOM 503 CG ASN A 44 2.157 -28.328 2.955 1.00 42.24 C ATOM 504 OD1 ASN A 44 1.553 -27.823 3.906 1.00 73.15 O ATOM 505 ND2 ASN A 44 1.802 -29.480 2.451 1.00 74.21 N ATOM 0 H ASN A 44 5.255 -26.205 1.487 1.00 2.22 H new ATOM 0 HA ASN A 44 2.495 -25.762 2.083 1.00 63.11 H new ATOM 0 HB2 ASN A 44 3.453 -27.912 1.281 1.00 13.24 H new ATOM 0 HB3 ASN A 44 4.296 -28.089 2.807 1.00 13.24 H new ATOM 0 HD21 ASN A 44 1.008 -29.985 2.844 1.00 74.21 H new ATOM 0 HD22 ASN A 44 2.319 -29.874 1.665 1.00 74.21 H new ATOM 512 N LEU A 45 2.792 -24.906 4.470 1.00 2.52 N ATOM 513 CA LEU A 45 3.025 -24.352 5.789 1.00 21.42 C ATOM 514 C LEU A 45 2.861 -25.384 6.857 1.00 45.23 C ATOM 515 O LEU A 45 3.633 -25.423 7.809 1.00 74.12 O ATOM 516 CB LEU A 45 2.147 -23.140 6.031 1.00 12.43 C ATOM 517 CG LEU A 45 2.337 -21.994 5.042 1.00 71.41 C ATOM 518 CD1 LEU A 45 1.436 -20.832 5.396 1.00 3.14 C ATOM 519 CD2 LEU A 45 3.794 -21.542 5.001 1.00 32.42 C ATOM 0 H LEU A 45 1.955 -24.559 4.002 1.00 2.52 H new ATOM 0 HA LEU A 45 4.062 -24.018 5.832 1.00 21.42 H new ATOM 0 HB2 LEU A 45 1.104 -23.455 6.002 1.00 12.43 H new ATOM 0 HB3 LEU A 45 2.339 -22.767 7.037 1.00 12.43 H new ATOM 0 HG LEU A 45 2.065 -22.357 4.051 1.00 71.41 H new ATOM 0 HD11 LEU A 45 1.586 -20.024 4.680 1.00 3.14 H new ATOM 0 HD12 LEU A 45 0.396 -21.156 5.366 1.00 3.14 H new ATOM 0 HD13 LEU A 45 1.677 -20.477 6.398 1.00 3.14 H new ATOM 0 HD21 LEU A 45 3.901 -20.724 4.288 1.00 32.42 H new ATOM 0 HD22 LEU A 45 4.098 -21.202 5.991 1.00 32.42 H new ATOM 0 HD23 LEU A 45 4.425 -22.376 4.694 1.00 32.42 H new ATOM 531 N ILE A 46 1.913 -26.257 6.649 1.00 64.33 N ATOM 532 CA ILE A 46 1.647 -27.356 7.570 1.00 4.24 C ATOM 533 C ILE A 46 2.869 -28.248 7.669 1.00 55.23 C ATOM 534 O ILE A 46 3.309 -28.637 8.749 1.00 34.23 O ATOM 535 CB ILE A 46 0.443 -28.194 7.076 1.00 61.21 C ATOM 536 CG1 ILE A 46 -0.838 -27.346 7.118 1.00 11.02 C ATOM 537 CG2 ILE A 46 0.308 -29.515 7.848 1.00 14.33 C ATOM 538 CD1 ILE A 46 -2.098 -28.084 6.701 1.00 61.33 C ATOM 0 H ILE A 46 1.295 -26.236 5.837 1.00 64.33 H new ATOM 0 HA ILE A 46 1.414 -26.940 8.550 1.00 4.24 H new ATOM 0 HB ILE A 46 0.618 -28.479 6.039 1.00 61.21 H new ATOM 0 HG12 ILE A 46 -0.973 -26.966 8.131 1.00 11.02 H new ATOM 0 HG13 ILE A 46 -0.707 -26.481 6.468 1.00 11.02 H new ATOM 0 HG21 ILE A 46 -0.549 -30.072 7.469 1.00 14.33 H new ATOM 0 HG22 ILE A 46 1.213 -30.108 7.716 1.00 14.33 H new ATOM 0 HG23 ILE A 46 0.164 -29.304 8.908 1.00 14.33 H new ATOM 0 HD11 ILE A 46 -2.952 -27.409 6.761 1.00 61.33 H new ATOM 0 HD12 ILE A 46 -1.989 -28.441 5.677 1.00 61.33 H new ATOM 0 HD13 ILE A 46 -2.259 -28.933 7.365 1.00 61.33 H new ATOM 550 N GLN A 47 3.453 -28.476 6.536 1.00 1.14 N ATOM 551 CA GLN A 47 4.562 -29.369 6.406 1.00 31.24 C ATOM 552 C GLN A 47 5.868 -28.664 6.822 1.00 11.33 C ATOM 553 O GLN A 47 6.910 -29.291 6.964 1.00 2.41 O ATOM 554 CB GLN A 47 4.623 -29.816 4.959 1.00 22.51 C ATOM 555 CG GLN A 47 5.403 -31.065 4.726 1.00 62.24 C ATOM 556 CD GLN A 47 5.435 -31.473 3.265 1.00 64.24 C ATOM 557 OE1 GLN A 47 4.505 -31.207 2.506 1.00 14.42 O ATOM 558 NE2 GLN A 47 6.499 -32.114 2.858 1.00 35.25 N ATOM 0 H GLN A 47 3.168 -28.040 5.659 1.00 1.14 H new ATOM 0 HA GLN A 47 4.439 -30.234 7.058 1.00 31.24 H new ATOM 0 HB2 GLN A 47 3.606 -29.966 4.596 1.00 22.51 H new ATOM 0 HB3 GLN A 47 5.060 -29.014 4.363 1.00 22.51 H new ATOM 0 HG2 GLN A 47 6.424 -30.922 5.081 1.00 62.24 H new ATOM 0 HG3 GLN A 47 4.970 -31.874 5.315 1.00 62.24 H new ATOM 0 HE21 GLN A 47 7.253 -32.319 3.514 1.00 35.25 H new ATOM 0 HE22 GLN A 47 6.575 -32.409 1.885 1.00 35.25 H new ATOM 567 N ALA A 48 5.787 -27.359 7.009 1.00 33.23 N ATOM 568 CA ALA A 48 6.934 -26.557 7.371 1.00 12.34 C ATOM 569 C ALA A 48 6.929 -26.198 8.861 1.00 34.35 C ATOM 570 O ALA A 48 7.794 -25.471 9.330 1.00 14.11 O ATOM 571 CB ALA A 48 6.994 -25.302 6.505 1.00 4.33 C ATOM 0 H ALA A 48 4.921 -26.828 6.913 1.00 33.23 H new ATOM 0 HA ALA A 48 7.830 -27.151 7.189 1.00 12.34 H new ATOM 0 HB1 ALA A 48 7.862 -24.706 6.787 1.00 4.33 H new ATOM 0 HB2 ALA A 48 7.075 -25.587 5.456 1.00 4.33 H new ATOM 0 HB3 ALA A 48 6.088 -24.715 6.652 1.00 4.33 H new ATOM 577 N GLY A 49 5.948 -26.701 9.600 1.00 12.34 N ATOM 578 CA GLY A 49 5.938 -26.463 11.035 1.00 72.10 C ATOM 579 C GLY A 49 4.751 -25.657 11.523 1.00 31.31 C ATOM 580 O GLY A 49 4.605 -25.426 12.726 1.00 20.13 O ATOM 0 H GLY A 49 5.172 -27.259 9.243 1.00 12.34 H new ATOM 0 HA2 GLY A 49 5.948 -27.423 11.551 1.00 72.10 H new ATOM 0 HA3 GLY A 49 6.855 -25.943 11.312 1.00 72.10 H new ATOM 584 N LEU A 50 3.914 -25.223 10.619 1.00 31.43 N ATOM 585 CA LEU A 50 2.731 -24.481 10.992 1.00 73.35 C ATOM 586 C LEU A 50 1.606 -25.465 11.190 1.00 63.41 C ATOM 587 O LEU A 50 1.114 -26.051 10.229 1.00 21.23 O ATOM 588 CB LEU A 50 2.346 -23.482 9.886 1.00 35.12 C ATOM 589 CG LEU A 50 1.261 -22.461 10.232 1.00 2.21 C ATOM 590 CD1 LEU A 50 1.813 -21.394 11.148 1.00 72.44 C ATOM 591 CD2 LEU A 50 0.676 -21.840 8.983 1.00 4.14 C ATOM 0 H LEU A 50 4.026 -25.369 9.616 1.00 31.43 H new ATOM 0 HA LEU A 50 2.924 -23.921 11.907 1.00 73.35 H new ATOM 0 HB2 LEU A 50 3.243 -22.938 9.591 1.00 35.12 H new ATOM 0 HB3 LEU A 50 2.015 -24.048 9.015 1.00 35.12 H new ATOM 0 HG LEU A 50 0.459 -22.985 10.752 1.00 2.21 H new ATOM 0 HD11 LEU A 50 1.028 -20.676 11.384 1.00 72.44 H new ATOM 0 HD12 LEU A 50 2.172 -21.855 12.068 1.00 72.44 H new ATOM 0 HD13 LEU A 50 2.638 -20.881 10.653 1.00 72.44 H new ATOM 0 HD21 LEU A 50 -0.092 -21.119 9.261 1.00 4.14 H new ATOM 0 HD22 LEU A 50 1.464 -21.334 8.425 1.00 4.14 H new ATOM 0 HD23 LEU A 50 0.234 -22.619 8.362 1.00 4.14 H new ATOM 603 N ASP A 51 1.236 -25.672 12.428 1.00 51.20 N ATOM 604 CA ASP A 51 0.141 -26.538 12.771 1.00 43.44 C ATOM 605 C ASP A 51 -1.159 -25.859 12.401 1.00 75.43 C ATOM 606 O ASP A 51 -1.172 -24.694 11.950 1.00 54.24 O ATOM 607 CB ASP A 51 0.176 -26.863 14.267 1.00 40.52 C ATOM 608 CG ASP A 51 0.254 -25.617 15.105 1.00 22.02 C ATOM 609 OD1 ASP A 51 -0.786 -25.053 15.448 1.00 41.24 O ATOM 610 OD2 ASP A 51 1.387 -25.161 15.383 1.00 2.45 O ATOM 0 H ASP A 51 1.691 -25.240 13.232 1.00 51.20 H new ATOM 0 HA ASP A 51 0.225 -27.475 12.220 1.00 43.44 H new ATOM 0 HB2 ASP A 51 -0.716 -27.428 14.538 1.00 40.52 H new ATOM 0 HB3 ASP A 51 1.034 -27.500 14.481 1.00 40.52 H new ATOM 667 N ILE A 53 -3.510 -25.070 14.380 1.00 12.50 N ATOM 668 CA ILE A 53 -3.951 -24.202 15.420 1.00 23.11 C ATOM 669 C ILE A 53 -3.388 -22.844 15.102 1.00 60.43 C ATOM 670 O ILE A 53 -4.098 -21.830 15.125 1.00 33.30 O ATOM 671 CB ILE A 53 -3.498 -24.680 16.812 1.00 34.12 C ATOM 672 CG1 ILE A 53 -4.132 -26.052 17.129 1.00 73.14 C ATOM 673 CG2 ILE A 53 -3.847 -23.646 17.893 1.00 4.12 C ATOM 674 CD1 ILE A 53 -5.664 -26.079 17.068 1.00 21.23 C ATOM 0 HA ILE A 53 -5.040 -24.183 15.462 1.00 23.11 H new ATOM 0 HB ILE A 53 -2.414 -24.791 16.806 1.00 34.12 H new ATOM 0 HG12 ILE A 53 -3.741 -26.789 16.427 1.00 73.14 H new ATOM 0 HG13 ILE A 53 -3.816 -26.362 18.125 1.00 73.14 H new ATOM 0 HG21 ILE A 53 -3.515 -24.010 18.865 1.00 4.12 H new ATOM 0 HG22 ILE A 53 -3.348 -22.703 17.669 1.00 4.12 H new ATOM 0 HG23 ILE A 53 -4.926 -23.490 17.913 1.00 4.12 H new ATOM 0 HD11 ILE A 53 -6.020 -27.082 17.304 1.00 21.23 H new ATOM 0 HD12 ILE A 53 -6.069 -25.370 17.790 1.00 21.23 H new ATOM 0 HD13 ILE A 53 -5.993 -25.804 16.066 1.00 21.23 H new ATOM 686 N ARG A 54 -2.116 -22.842 14.731 1.00 65.33 N ATOM 687 CA ARG A 54 -1.456 -21.679 14.253 1.00 24.04 C ATOM 688 C ARG A 54 -2.084 -21.174 12.971 1.00 42.11 C ATOM 689 O ARG A 54 -2.186 -19.962 12.764 1.00 33.33 O ATOM 690 CB ARG A 54 -0.029 -21.966 14.006 1.00 41.32 C ATOM 691 CG ARG A 54 0.830 -21.962 15.224 1.00 73.35 C ATOM 692 CD ARG A 54 2.207 -22.182 14.762 1.00 54.24 C ATOM 693 NE ARG A 54 3.260 -21.982 15.765 1.00 54.42 N ATOM 694 CZ ARG A 54 4.075 -22.941 16.194 1.00 2.41 C ATOM 695 NH1 ARG A 54 3.707 -24.223 16.122 1.00 33.12 N ATOM 696 NH2 ARG A 54 5.227 -22.606 16.767 1.00 24.25 N ATOM 0 H ARG A 54 -1.522 -23.670 14.761 1.00 65.33 H new ATOM 0 HA ARG A 54 -1.554 -20.910 15.019 1.00 24.04 H new ATOM 0 HB2 ARG A 54 0.053 -22.940 13.524 1.00 41.32 H new ATOM 0 HB3 ARG A 54 0.359 -21.229 13.303 1.00 41.32 H new ATOM 0 HG2 ARG A 54 0.746 -21.014 15.755 1.00 73.35 H new ATOM 0 HG3 ARG A 54 0.524 -22.745 15.918 1.00 73.35 H new ATOM 0 HD2 ARG A 54 2.283 -23.201 14.381 1.00 54.24 H new ATOM 0 HD3 ARG A 54 2.399 -21.513 13.923 1.00 54.24 H new ATOM 0 HE ARG A 54 3.374 -21.048 16.158 1.00 54.42 H new ATOM 0 HH11 ARG A 54 2.796 -24.471 15.736 1.00 33.12 H new ATOM 0 HH12 ARG A 54 4.337 -24.954 16.453 1.00 33.12 H new ATOM 0 HH21 ARG A 54 5.477 -21.623 16.873 1.00 24.25 H new ATOM 0 HH22 ARG A 54 5.861 -23.332 17.100 1.00 24.25 H new ATOM 710 N LEU A 55 -2.511 -22.098 12.113 1.00 61.21 N ATOM 711 CA LEU A 55 -3.137 -21.737 10.849 1.00 45.30 C ATOM 712 C LEU A 55 -4.536 -21.221 11.048 1.00 1.04 C ATOM 713 O LEU A 55 -4.902 -20.209 10.456 1.00 5.45 O ATOM 714 CB LEU A 55 -3.104 -22.892 9.845 1.00 3.42 C ATOM 715 CG LEU A 55 -3.576 -22.570 8.414 1.00 33.52 C ATOM 716 CD1 LEU A 55 -3.011 -23.555 7.475 1.00 35.22 C ATOM 717 CD2 LEU A 55 -5.086 -22.573 8.269 1.00 51.24 C ATOM 0 H LEU A 55 -2.434 -23.102 12.273 1.00 61.21 H new ATOM 0 HA LEU A 55 -2.547 -20.924 10.424 1.00 45.30 H new ATOM 0 HB2 LEU A 55 -2.083 -23.269 9.791 1.00 3.42 H new ATOM 0 HB3 LEU A 55 -3.722 -23.701 10.235 1.00 3.42 H new ATOM 0 HG LEU A 55 -3.226 -21.562 8.190 1.00 33.52 H new ATOM 0 HD11 LEU A 55 -3.345 -23.326 6.463 1.00 35.22 H new ATOM 0 HD12 LEU A 55 -1.923 -23.514 7.516 1.00 35.22 H new ATOM 0 HD13 LEU A 55 -3.347 -24.555 7.751 1.00 35.22 H new ATOM 0 HD21 LEU A 55 -5.353 -22.339 7.238 1.00 51.24 H new ATOM 0 HD22 LEU A 55 -5.475 -23.557 8.530 1.00 51.24 H new ATOM 0 HD23 LEU A 55 -5.517 -21.825 8.934 1.00 51.24 H new ATOM 729 N MET A 56 -5.336 -21.903 11.852 1.00 52.01 N ATOM 730 CA MET A 56 -6.685 -21.424 12.128 1.00 33.24 C ATOM 731 C MET A 56 -6.608 -20.054 12.741 1.00 72.54 C ATOM 732 O MET A 56 -7.428 -19.174 12.458 1.00 54.13 O ATOM 733 CB MET A 56 -7.433 -22.330 13.069 1.00 73.15 C ATOM 734 CG MET A 56 -8.814 -21.797 13.425 1.00 11.14 C ATOM 735 SD MET A 56 -9.377 -22.356 15.014 1.00 44.33 S ATOM 736 CE MET A 56 -7.992 -21.775 15.989 1.00 22.43 C ATOM 0 H MET A 56 -5.083 -22.774 12.318 1.00 52.01 H new ATOM 0 HA MET A 56 -7.224 -21.403 11.181 1.00 33.24 H new ATOM 0 HB2 MET A 56 -7.535 -23.315 12.614 1.00 73.15 H new ATOM 0 HB3 MET A 56 -6.851 -22.459 13.982 1.00 73.15 H new ATOM 0 HG2 MET A 56 -8.792 -20.707 13.415 1.00 11.14 H new ATOM 0 HG3 MET A 56 -9.527 -22.108 12.662 1.00 11.14 H new ATOM 0 HE1 MET A 56 -8.325 -21.566 17.006 1.00 22.43 H new ATOM 0 HE2 MET A 56 -7.216 -22.541 16.012 1.00 22.43 H new ATOM 0 HE3 MET A 56 -7.590 -20.865 15.544 1.00 22.43 H new ATOM 746 N ARG A 57 -5.606 -19.878 13.571 1.00 42.24 N ATOM 747 CA ARG A 57 -5.317 -18.630 14.173 1.00 1.10 C ATOM 748 C ARG A 57 -5.113 -17.541 13.090 1.00 23.32 C ATOM 749 O ARG A 57 -5.498 -16.399 13.275 1.00 31.31 O ATOM 750 CB ARG A 57 -4.061 -18.759 14.916 1.00 51.14 C ATOM 751 CG ARG A 57 -3.669 -17.537 15.671 1.00 0.32 C ATOM 752 CD ARG A 57 -2.336 -17.768 16.233 1.00 2.33 C ATOM 753 NE ARG A 57 -1.330 -17.907 15.156 1.00 75.31 N ATOM 754 CZ ARG A 57 -0.001 -17.895 15.301 1.00 74.13 C ATOM 755 NH1 ARG A 57 0.561 -17.907 16.506 1.00 41.35 N ATOM 756 NH2 ARG A 57 0.770 -17.903 14.230 1.00 64.22 N ATOM 0 H ARG A 57 -4.965 -20.624 13.842 1.00 42.24 H new ATOM 0 HA ARG A 57 -6.145 -18.349 14.824 1.00 1.10 H new ATOM 0 HB2 ARG A 57 -4.149 -19.591 15.615 1.00 51.14 H new ATOM 0 HB3 ARG A 57 -3.263 -19.012 14.218 1.00 51.14 H new ATOM 0 HG2 ARG A 57 -3.661 -16.668 15.014 1.00 0.32 H new ATOM 0 HG3 ARG A 57 -4.388 -17.331 16.464 1.00 0.32 H new ATOM 0 HD2 ARG A 57 -2.063 -16.940 16.887 1.00 2.33 H new ATOM 0 HD3 ARG A 57 -2.346 -18.669 16.847 1.00 2.33 H new ATOM 0 HE ARG A 57 -1.687 -18.024 14.208 1.00 75.31 H new ATOM 0 HH11 ARG A 57 -0.024 -17.926 17.341 1.00 41.35 H new ATOM 0 HH12 ARG A 57 1.577 -17.898 16.595 1.00 41.35 H new ATOM 0 HH21 ARG A 57 0.351 -17.918 13.300 1.00 64.22 H new ATOM 0 HH22 ARG A 57 1.785 -17.894 14.332 1.00 64.22 H new ATOM 770 N TRP A 58 -4.522 -17.934 11.933 1.00 44.44 N ATOM 771 CA TRP A 58 -4.272 -16.994 10.848 1.00 53.31 C ATOM 772 C TRP A 58 -5.548 -16.551 10.180 1.00 44.30 C ATOM 773 O TRP A 58 -5.655 -15.417 9.748 1.00 50.32 O ATOM 774 CB TRP A 58 -3.302 -17.547 9.800 1.00 3.23 C ATOM 775 CG TRP A 58 -1.874 -17.560 10.225 1.00 33.12 C ATOM 776 CD1 TRP A 58 -1.030 -18.622 10.211 1.00 12.04 C ATOM 777 CD2 TRP A 58 -1.119 -16.443 10.715 1.00 35.31 C ATOM 778 NE1 TRP A 58 0.209 -18.240 10.673 1.00 14.12 N ATOM 779 CE2 TRP A 58 0.179 -16.902 10.979 1.00 53.12 C ATOM 780 CE3 TRP A 58 -1.420 -15.095 10.952 1.00 1.20 C ATOM 781 CZ2 TRP A 58 1.181 -16.061 11.468 1.00 70.31 C ATOM 782 CZ3 TRP A 58 -0.430 -14.268 11.434 1.00 72.12 C ATOM 783 CH2 TRP A 58 0.853 -14.751 11.685 1.00 42.52 C ATOM 0 H TRP A 58 -4.218 -18.889 11.743 1.00 44.44 H new ATOM 0 HA TRP A 58 -3.804 -16.127 11.314 1.00 53.31 H new ATOM 0 HB2 TRP A 58 -3.602 -18.564 9.547 1.00 3.23 H new ATOM 0 HB3 TRP A 58 -3.392 -16.953 8.891 1.00 3.23 H new ATOM 0 HD1 TRP A 58 -1.291 -19.618 9.886 1.00 12.04 H new ATOM 0 HE1 TRP A 58 1.019 -18.852 10.772 1.00 14.12 H new ATOM 0 HE3 TRP A 58 -2.411 -14.711 10.760 1.00 1.20 H new ATOM 0 HZ2 TRP A 58 2.176 -16.431 11.667 1.00 70.31 H new ATOM 0 HZ3 TRP A 58 -0.652 -13.228 11.621 1.00 72.12 H new ATOM 0 HH2 TRP A 58 1.607 -14.074 12.060 1.00 42.52 H new ATOM 794 N LEU A 59 -6.533 -17.428 10.123 1.00 75.44 N ATOM 795 CA LEU A 59 -7.801 -17.072 9.505 1.00 44.15 C ATOM 796 C LEU A 59 -8.489 -16.025 10.377 1.00 63.14 C ATOM 797 O LEU A 59 -9.150 -15.109 9.879 1.00 3.34 O ATOM 798 CB LEU A 59 -8.672 -18.331 9.276 1.00 71.12 C ATOM 799 CG LEU A 59 -9.844 -18.218 8.261 1.00 62.30 C ATOM 800 CD1 LEU A 59 -10.995 -17.401 8.783 1.00 32.44 C ATOM 801 CD2 LEU A 59 -9.357 -17.628 6.947 1.00 3.34 C ATOM 0 H LEU A 59 -6.484 -18.378 10.490 1.00 75.44 H new ATOM 0 HA LEU A 59 -7.636 -16.639 8.518 1.00 44.15 H new ATOM 0 HB2 LEU A 59 -8.017 -19.137 8.945 1.00 71.12 H new ATOM 0 HB3 LEU A 59 -9.088 -18.632 10.238 1.00 71.12 H new ATOM 0 HG LEU A 59 -10.210 -19.232 8.101 1.00 62.30 H new ATOM 0 HD11 LEU A 59 -11.782 -17.358 8.030 1.00 32.44 H new ATOM 0 HD12 LEU A 59 -11.386 -17.861 9.691 1.00 32.44 H new ATOM 0 HD13 LEU A 59 -10.652 -16.391 9.007 1.00 32.44 H new ATOM 0 HD21 LEU A 59 -10.191 -17.557 6.249 1.00 3.34 H new ATOM 0 HD22 LEU A 59 -8.946 -16.634 7.125 1.00 3.34 H new ATOM 0 HD23 LEU A 59 -8.584 -18.270 6.524 1.00 3.34 H new ATOM 813 N HIS A 60 -8.247 -16.128 11.673 1.00 22.41 N ATOM 814 CA HIS A 60 -8.741 -15.162 12.650 1.00 35.25 C ATOM 815 C HIS A 60 -8.069 -13.812 12.444 1.00 34.42 C ATOM 816 O HIS A 60 -8.573 -12.793 12.860 1.00 31.04 O ATOM 817 CB HIS A 60 -8.474 -15.645 14.077 1.00 62.54 C ATOM 818 CG HIS A 60 -9.355 -16.753 14.540 1.00 44.14 C ATOM 819 ND1 HIS A 60 -9.122 -18.090 14.329 1.00 42.23 N ATOM 820 CD2 HIS A 60 -10.481 -16.684 15.249 1.00 10.43 C ATOM 821 CE1 HIS A 60 -10.106 -18.772 14.918 1.00 20.05 C ATOM 822 NE2 HIS A 60 -10.960 -17.964 15.492 1.00 5.35 N ATOM 0 H HIS A 60 -7.701 -16.886 12.083 1.00 22.41 H new ATOM 0 HA HIS A 60 -9.817 -15.060 12.506 1.00 35.25 H new ATOM 0 HB2 HIS A 60 -7.437 -15.972 14.146 1.00 62.54 H new ATOM 0 HB3 HIS A 60 -8.588 -14.801 14.758 1.00 62.54 H new ATOM 0 HD1 HIS A 60 -8.337 -18.490 13.814 1.00 42.23 H new ATOM 0 HD2 HIS A 60 -10.950 -15.771 15.584 1.00 10.43 H new ATOM 0 HE1 HIS A 60 -10.187 -19.849 14.921 1.00 20.05 H new ATOM 830 N TRP A 61 -6.919 -13.831 11.826 1.00 12.04 N ATOM 831 CA TRP A 61 -6.200 -12.635 11.497 1.00 1.25 C ATOM 832 C TRP A 61 -6.749 -12.069 10.185 1.00 2.14 C ATOM 833 O TRP A 61 -7.142 -10.909 10.138 1.00 55.53 O ATOM 834 CB TRP A 61 -4.688 -12.942 11.436 1.00 23.24 C ATOM 835 CG TRP A 61 -3.783 -11.820 10.993 1.00 35.25 C ATOM 836 CD1 TRP A 61 -3.403 -10.709 11.704 1.00 13.24 C ATOM 837 CD2 TRP A 61 -3.095 -11.744 9.744 1.00 52.33 C ATOM 838 NE1 TRP A 61 -2.528 -9.948 10.949 1.00 13.43 N ATOM 839 CE2 TRP A 61 -2.331 -10.564 9.753 1.00 13.01 C ATOM 840 CE3 TRP A 61 -3.056 -12.561 8.614 1.00 53.32 C ATOM 841 CZ2 TRP A 61 -1.541 -10.185 8.684 1.00 34.42 C ATOM 842 CZ3 TRP A 61 -2.267 -12.179 7.555 1.00 15.21 C ATOM 843 CH2 TRP A 61 -1.521 -11.002 7.601 1.00 53.02 C ATOM 0 H TRP A 61 -6.451 -14.689 11.534 1.00 12.04 H new ATOM 0 HA TRP A 61 -6.337 -11.873 12.264 1.00 1.25 H new ATOM 0 HB2 TRP A 61 -4.367 -13.266 12.426 1.00 23.24 H new ATOM 0 HB3 TRP A 61 -4.540 -13.785 10.761 1.00 23.24 H new ATOM 0 HD1 TRP A 61 -3.737 -10.466 12.702 1.00 13.24 H new ATOM 0 HE1 TRP A 61 -2.101 -9.069 11.242 1.00 13.43 H new ATOM 0 HE3 TRP A 61 -3.633 -13.473 8.572 1.00 53.32 H new ATOM 0 HZ2 TRP A 61 -0.962 -9.274 8.710 1.00 34.42 H new ATOM 0 HZ3 TRP A 61 -2.224 -12.801 6.673 1.00 15.21 H new ATOM 0 HH2 TRP A 61 -0.911 -10.733 6.751 1.00 53.02 H new ATOM 854 N PHE A 62 -6.846 -12.925 9.157 1.00 14.25 N ATOM 855 CA PHE A 62 -7.368 -12.526 7.839 1.00 33.14 C ATOM 856 C PHE A 62 -8.773 -11.951 7.918 1.00 71.13 C ATOM 857 O PHE A 62 -9.008 -10.808 7.542 1.00 22.10 O ATOM 858 CB PHE A 62 -7.391 -13.696 6.826 1.00 51.34 C ATOM 859 CG PHE A 62 -6.057 -14.165 6.352 1.00 31.10 C ATOM 860 CD1 PHE A 62 -5.306 -13.372 5.521 1.00 65.24 C ATOM 861 CD2 PHE A 62 -5.565 -15.402 6.717 1.00 41.11 C ATOM 862 CE1 PHE A 62 -4.084 -13.803 5.063 1.00 34.30 C ATOM 863 CE2 PHE A 62 -4.347 -15.839 6.261 1.00 54.14 C ATOM 864 CZ PHE A 62 -3.604 -15.038 5.433 1.00 52.13 C ATOM 0 H PHE A 62 -6.568 -13.905 9.213 1.00 14.25 H new ATOM 0 HA PHE A 62 -6.676 -11.758 7.493 1.00 33.14 H new ATOM 0 HB2 PHE A 62 -7.911 -14.538 7.283 1.00 51.34 H new ATOM 0 HB3 PHE A 62 -7.978 -13.391 5.960 1.00 51.34 H new ATOM 0 HD1 PHE A 62 -5.678 -12.402 5.225 1.00 65.24 H new ATOM 0 HD2 PHE A 62 -6.147 -16.035 7.371 1.00 41.11 H new ATOM 0 HE1 PHE A 62 -3.499 -13.171 4.411 1.00 34.30 H new ATOM 0 HE2 PHE A 62 -3.975 -16.810 6.553 1.00 54.14 H new ATOM 0 HZ PHE A 62 -2.644 -15.376 5.072 1.00 52.13 H new ATOM 874 N ARG A 63 -9.691 -12.728 8.442 1.00 2.54 N ATOM 875 CA ARG A 63 -11.102 -12.371 8.445 1.00 31.24 C ATOM 876 C ARG A 63 -11.375 -11.142 9.310 1.00 43.34 C ATOM 877 O ARG A 63 -12.317 -10.397 9.081 1.00 52.42 O ATOM 878 CB ARG A 63 -11.900 -13.561 8.905 1.00 31.02 C ATOM 879 CG ARG A 63 -13.382 -13.434 8.691 1.00 71.20 C ATOM 880 CD ARG A 63 -13.962 -14.803 8.626 1.00 43.10 C ATOM 881 NE ARG A 63 -15.418 -14.817 8.377 1.00 53.52 N ATOM 882 CZ ARG A 63 -16.037 -15.645 7.503 1.00 23.42 C ATOM 883 NH1 ARG A 63 -15.317 -16.376 6.649 1.00 24.33 N ATOM 884 NH2 ARG A 63 -17.374 -15.690 7.449 1.00 42.33 N ATOM 0 H ARG A 63 -9.488 -13.627 8.880 1.00 2.54 H new ATOM 0 HA ARG A 63 -11.405 -12.102 7.433 1.00 31.24 H new ATOM 0 HB2 ARG A 63 -11.544 -14.447 8.380 1.00 31.02 H new ATOM 0 HB3 ARG A 63 -11.711 -13.722 9.966 1.00 31.02 H new ATOM 0 HG2 ARG A 63 -13.836 -12.867 9.504 1.00 71.20 H new ATOM 0 HG3 ARG A 63 -13.588 -12.890 7.769 1.00 71.20 H new ATOM 0 HD2 ARG A 63 -13.461 -15.364 7.837 1.00 43.10 H new ATOM 0 HD3 ARG A 63 -13.757 -15.320 9.563 1.00 43.10 H new ATOM 0 HE ARG A 63 -15.996 -14.158 8.899 1.00 53.52 H new ATOM 0 HH11 ARG A 63 -14.299 -16.311 6.654 1.00 24.33 H new ATOM 0 HH12 ARG A 63 -15.785 -16.999 5.991 1.00 24.33 H new ATOM 0 HH21 ARG A 63 -17.930 -15.099 8.068 1.00 42.33 H new ATOM 0 HH22 ARG A 63 -17.837 -16.315 6.789 1.00 42.33 H new ATOM 898 N LYS A 64 -10.494 -10.918 10.253 1.00 24.53 N ATOM 899 CA LYS A 64 -10.576 -9.800 11.168 1.00 74.43 C ATOM 900 C LYS A 64 -10.038 -8.527 10.499 1.00 50.43 C ATOM 901 O LYS A 64 -10.303 -7.417 10.939 1.00 52.02 O ATOM 902 CB LYS A 64 -9.732 -10.136 12.372 1.00 23.24 C ATOM 903 CG LYS A 64 -9.734 -9.125 13.489 1.00 5.43 C ATOM 904 CD LYS A 64 -8.791 -9.549 14.602 1.00 43.31 C ATOM 905 CE LYS A 64 -7.359 -9.771 14.083 1.00 71.42 C ATOM 906 NZ LYS A 64 -6.849 -8.625 13.270 1.00 21.44 N ATOM 0 H LYS A 64 -9.684 -11.517 10.412 1.00 24.53 H new ATOM 0 HA LYS A 64 -11.612 -9.622 11.457 1.00 74.43 H new ATOM 0 HB2 LYS A 64 -10.072 -11.091 12.773 1.00 23.24 H new ATOM 0 HB3 LYS A 64 -8.703 -10.278 12.040 1.00 23.24 H new ATOM 0 HG2 LYS A 64 -9.434 -8.150 13.104 1.00 5.43 H new ATOM 0 HG3 LYS A 64 -10.744 -9.015 13.884 1.00 5.43 H new ATOM 0 HD2 LYS A 64 -8.781 -8.786 15.381 1.00 43.31 H new ATOM 0 HD3 LYS A 64 -9.158 -10.467 15.060 1.00 43.31 H new ATOM 0 HE2 LYS A 64 -6.692 -9.934 14.930 1.00 71.42 H new ATOM 0 HE3 LYS A 64 -7.334 -10.678 13.479 1.00 71.42 H new ATOM 0 HZ1 LYS A 64 -5.837 -8.485 13.464 1.00 21.44 H new ATOM 0 HZ2 LYS A 64 -6.983 -8.830 12.259 1.00 21.44 H new ATOM 0 HZ3 LYS A 64 -7.372 -7.762 13.521 1.00 21.44 H new ATOM 920 N ASN A 65 -9.264 -8.710 9.452 1.00 44.43 N ATOM 921 CA ASN A 65 -8.693 -7.592 8.700 1.00 11.53 C ATOM 922 C ASN A 65 -9.551 -7.294 7.482 1.00 51.34 C ATOM 923 O ASN A 65 -9.200 -6.483 6.638 1.00 73.12 O ATOM 924 CB ASN A 65 -7.220 -7.866 8.293 1.00 44.31 C ATOM 925 CG ASN A 65 -6.221 -7.781 9.458 1.00 12.01 C ATOM 926 OD1 ASN A 65 -6.565 -8.021 10.642 1.00 34.02 O ATOM 927 ND2 ASN A 65 -4.983 -7.463 9.156 1.00 20.52 N ATOM 0 H ASN A 65 -9.008 -9.629 9.092 1.00 44.43 H new ATOM 0 HA ASN A 65 -8.686 -6.715 9.348 1.00 11.53 H new ATOM 0 HB2 ASN A 65 -7.156 -8.858 7.846 1.00 44.31 H new ATOM 0 HB3 ASN A 65 -6.927 -7.150 7.525 1.00 44.31 H new ATOM 0 HD21 ASN A 65 -4.277 -7.407 9.890 1.00 20.52 H new ATOM 0 HD22 ASN A 65 -4.727 -7.272 8.187 1.00 20.52 H new ATOM 934 N GLY A 66 -10.695 -7.960 7.407 1.00 11.51 N ATOM 935 CA GLY A 66 -11.626 -7.710 6.338 1.00 54.23 C ATOM 936 C GLY A 66 -11.527 -8.710 5.212 1.00 4.42 C ATOM 937 O GLY A 66 -12.185 -8.557 4.179 1.00 40.42 O ATOM 0 H GLY A 66 -10.991 -8.672 8.074 1.00 11.51 H new ATOM 0 HA2 GLY A 66 -12.640 -7.724 6.738 1.00 54.23 H new ATOM 0 HA3 GLY A 66 -11.453 -6.709 5.942 1.00 54.23 H new ATOM 941 N TYR A 67 -10.721 -9.728 5.384 1.00 62.33 N ATOM 942 CA TYR A 67 -10.571 -10.734 4.363 1.00 70.34 C ATOM 943 C TYR A 67 -11.741 -11.665 4.329 1.00 42.35 C ATOM 944 O TYR A 67 -12.072 -12.323 5.316 1.00 54.43 O ATOM 945 CB TYR A 67 -9.277 -11.508 4.513 1.00 32.20 C ATOM 946 CG TYR A 67 -8.068 -10.701 4.166 1.00 52.44 C ATOM 947 CD1 TYR A 67 -7.654 -9.644 4.963 1.00 43.20 C ATOM 948 CD2 TYR A 67 -7.360 -10.969 3.021 1.00 42.21 C ATOM 949 CE1 TYR A 67 -6.569 -8.895 4.625 1.00 22.54 C ATOM 950 CE2 TYR A 67 -6.281 -10.219 2.679 1.00 53.22 C ATOM 951 CZ TYR A 67 -5.888 -9.190 3.483 1.00 11.13 C ATOM 952 OH TYR A 67 -4.843 -8.449 3.117 1.00 61.34 O ATOM 0 H TYR A 67 -10.159 -9.882 6.221 1.00 62.33 H new ATOM 0 HA TYR A 67 -10.532 -10.206 3.410 1.00 70.34 H new ATOM 0 HB2 TYR A 67 -9.189 -11.861 5.541 1.00 32.20 H new ATOM 0 HB3 TYR A 67 -9.313 -12.391 3.875 1.00 32.20 H new ATOM 0 HD1 TYR A 67 -8.201 -9.412 5.865 1.00 43.20 H new ATOM 0 HD2 TYR A 67 -7.665 -11.786 2.384 1.00 42.21 H new ATOM 0 HE1 TYR A 67 -6.252 -8.077 5.255 1.00 22.54 H new ATOM 0 HE2 TYR A 67 -5.735 -10.437 1.773 1.00 53.22 H new ATOM 0 HH TYR A 67 -4.511 -7.947 3.890 1.00 61.34 H new ATOM 962 N ARG A 68 -12.365 -11.725 3.182 1.00 35.41 N ATOM 963 CA ARG A 68 -13.503 -12.579 2.979 1.00 23.13 C ATOM 964 C ARG A 68 -13.020 -13.978 2.654 1.00 15.34 C ATOM 965 O ARG A 68 -13.040 -14.423 1.500 1.00 73.11 O ATOM 966 CB ARG A 68 -14.443 -12.028 1.897 1.00 41.52 C ATOM 967 CG ARG A 68 -14.910 -10.619 2.164 1.00 61.42 C ATOM 968 CD ARG A 68 -14.041 -9.628 1.422 1.00 41.31 C ATOM 969 NE ARG A 68 -14.280 -8.231 1.831 1.00 24.14 N ATOM 970 CZ ARG A 68 -13.439 -7.194 1.584 1.00 1.12 C ATOM 971 NH1 ARG A 68 -12.458 -7.316 0.694 1.00 45.51 N ATOM 972 NH2 ARG A 68 -13.633 -6.017 2.186 1.00 50.11 N ATOM 0 H ARG A 68 -12.097 -11.182 2.361 1.00 35.41 H new ATOM 0 HA ARG A 68 -14.091 -12.614 3.896 1.00 23.13 H new ATOM 0 HB2 ARG A 68 -13.932 -12.056 0.935 1.00 41.52 H new ATOM 0 HB3 ARG A 68 -15.312 -12.681 1.816 1.00 41.52 H new ATOM 0 HG2 ARG A 68 -15.948 -10.508 1.852 1.00 61.42 H new ATOM 0 HG3 ARG A 68 -14.875 -10.414 3.234 1.00 61.42 H new ATOM 0 HD2 ARG A 68 -12.993 -9.875 1.590 1.00 41.31 H new ATOM 0 HD3 ARG A 68 -14.223 -9.724 0.352 1.00 41.31 H new ATOM 0 HE ARG A 68 -15.142 -8.029 2.338 1.00 24.14 H new ATOM 0 HH11 ARG A 68 -12.333 -8.194 0.190 1.00 45.51 H new ATOM 0 HH12 ARG A 68 -11.831 -6.531 0.515 1.00 45.51 H new ATOM 0 HH21 ARG A 68 -14.413 -5.897 2.832 1.00 50.11 H new ATOM 0 HH22 ARG A 68 -13.001 -5.239 2.000 1.00 50.11 H new ATOM 986 N LEU A 69 -12.499 -14.592 3.664 1.00 74.31 N ATOM 987 CA LEU A 69 -11.906 -15.912 3.617 1.00 72.13 C ATOM 988 C LEU A 69 -12.428 -16.720 4.770 1.00 71.13 C ATOM 989 O LEU A 69 -12.755 -16.164 5.831 1.00 43.45 O ATOM 990 CB LEU A 69 -10.371 -15.821 3.749 1.00 74.03 C ATOM 991 CG LEU A 69 -9.606 -15.160 2.602 1.00 41.53 C ATOM 992 CD1 LEU A 69 -8.139 -15.000 2.972 1.00 1.11 C ATOM 993 CD2 LEU A 69 -9.722 -16.002 1.350 1.00 52.33 C ATOM 0 H LEU A 69 -12.468 -14.177 4.595 1.00 74.31 H new ATOM 0 HA LEU A 69 -12.161 -16.377 2.665 1.00 72.13 H new ATOM 0 HB2 LEU A 69 -10.143 -15.276 4.665 1.00 74.03 H new ATOM 0 HB3 LEU A 69 -9.983 -16.832 3.875 1.00 74.03 H new ATOM 0 HG LEU A 69 -10.037 -14.176 2.417 1.00 41.53 H new ATOM 0 HD11 LEU A 69 -7.605 -14.528 2.147 1.00 1.11 H new ATOM 0 HD12 LEU A 69 -8.054 -14.377 3.863 1.00 1.11 H new ATOM 0 HD13 LEU A 69 -7.705 -15.980 3.172 1.00 1.11 H new ATOM 0 HD21 LEU A 69 -9.174 -15.524 0.538 1.00 52.33 H new ATOM 0 HD22 LEU A 69 -9.304 -16.991 1.537 1.00 52.33 H new ATOM 0 HD23 LEU A 69 -10.772 -16.098 1.072 1.00 52.33 H new ATOM 1005 N THR A 70 -12.522 -17.994 4.582 1.00 2.55 N ATOM 1006 CA THR A 70 -12.949 -18.872 5.612 1.00 43.04 C ATOM 1007 C THR A 70 -11.835 -19.928 5.815 1.00 25.44 C ATOM 1008 O THR A 70 -10.915 -20.026 4.998 1.00 54.01 O ATOM 1009 CB THR A 70 -14.308 -19.509 5.239 1.00 72.41 C ATOM 1010 OG1 THR A 70 -15.198 -18.486 4.746 1.00 74.13 O ATOM 1011 CG2 THR A 70 -14.961 -20.173 6.430 1.00 71.31 C ATOM 0 H THR A 70 -12.302 -18.456 3.700 1.00 2.55 H new ATOM 0 HA THR A 70 -13.108 -18.339 6.549 1.00 43.04 H new ATOM 0 HB THR A 70 -14.119 -20.265 4.477 1.00 72.41 H new ATOM 0 HG1 THR A 70 -16.059 -18.889 4.508 1.00 74.13 H new ATOM 0 HG21 THR A 70 -15.913 -20.608 6.127 1.00 71.31 H new ATOM 0 HG22 THR A 70 -14.308 -20.958 6.812 1.00 71.31 H new ATOM 0 HG23 THR A 70 -15.133 -19.432 7.211 1.00 71.31 H new ATOM 1019 N LEU A 71 -11.909 -20.683 6.888 1.00 33.13 N ATOM 1020 CA LEU A 71 -10.847 -21.593 7.285 1.00 74.15 C ATOM 1021 C LEU A 71 -10.636 -22.788 6.335 1.00 14.31 C ATOM 1022 O LEU A 71 -9.518 -23.292 6.225 1.00 10.40 O ATOM 1023 CB LEU A 71 -11.112 -22.086 8.697 1.00 24.34 C ATOM 1024 CG LEU A 71 -10.000 -22.897 9.329 1.00 61.33 C ATOM 1025 CD1 LEU A 71 -8.774 -22.050 9.570 1.00 12.02 C ATOM 1026 CD2 LEU A 71 -10.464 -23.527 10.604 1.00 53.41 C ATOM 0 H LEU A 71 -12.712 -20.686 7.517 1.00 33.13 H new ATOM 0 HA LEU A 71 -9.920 -21.021 7.237 1.00 74.15 H new ATOM 0 HB2 LEU A 71 -11.313 -21.223 9.332 1.00 24.34 H new ATOM 0 HB3 LEU A 71 -12.018 -22.692 8.687 1.00 24.34 H new ATOM 0 HG LEU A 71 -9.728 -23.689 8.632 1.00 61.33 H new ATOM 0 HD11 LEU A 71 -7.994 -22.660 10.024 1.00 12.02 H new ATOM 0 HD12 LEU A 71 -8.416 -21.650 8.621 1.00 12.02 H new ATOM 0 HD13 LEU A 71 -9.026 -21.227 10.239 1.00 12.02 H new ATOM 0 HD21 LEU A 71 -9.650 -24.105 11.042 1.00 53.41 H new ATOM 0 HD22 LEU A 71 -10.773 -22.749 11.302 1.00 53.41 H new ATOM 0 HD23 LEU A 71 -11.307 -24.186 10.398 1.00 53.41 H new ATOM 1038 N ARG A 72 -11.679 -23.209 5.621 1.00 73.30 N ATOM 1039 CA ARG A 72 -11.558 -24.411 4.764 1.00 52.25 C ATOM 1040 C ARG A 72 -10.621 -24.087 3.626 1.00 1.24 C ATOM 1041 O ARG A 72 -9.770 -24.876 3.247 1.00 63.43 O ATOM 1042 CB ARG A 72 -12.890 -24.875 4.121 1.00 43.01 C ATOM 1043 CG ARG A 72 -14.066 -25.209 5.002 1.00 72.25 C ATOM 1044 CD ARG A 72 -14.658 -23.982 5.556 1.00 70.52 C ATOM 1045 NE ARG A 72 -15.015 -23.003 4.502 1.00 62.33 N ATOM 1046 CZ ARG A 72 -16.240 -22.589 4.159 1.00 73.04 C ATOM 1047 NH1 ARG A 72 -17.328 -23.134 4.723 1.00 43.40 N ATOM 1048 NH2 ARG A 72 -16.368 -21.620 3.248 1.00 41.54 N ATOM 0 H ARG A 72 -12.595 -22.760 5.610 1.00 73.30 H new ATOM 0 HA ARG A 72 -11.205 -25.212 5.414 1.00 52.25 H new ATOM 0 HB2 ARG A 72 -13.210 -24.092 3.433 1.00 43.01 H new ATOM 0 HB3 ARG A 72 -12.672 -25.758 3.520 1.00 43.01 H new ATOM 0 HG2 ARG A 72 -14.815 -25.754 4.428 1.00 72.25 H new ATOM 0 HG3 ARG A 72 -13.747 -25.864 5.813 1.00 72.25 H new ATOM 0 HD2 ARG A 72 -15.550 -24.238 6.128 1.00 70.52 H new ATOM 0 HD3 ARG A 72 -13.954 -23.524 6.251 1.00 70.52 H new ATOM 0 HE ARG A 72 -14.238 -22.599 3.979 1.00 62.33 H new ATOM 0 HH11 ARG A 72 -17.226 -23.871 5.420 1.00 43.40 H new ATOM 0 HH12 ARG A 72 -18.258 -22.811 4.455 1.00 43.40 H new ATOM 0 HH21 ARG A 72 -15.538 -21.206 2.824 1.00 41.54 H new ATOM 0 HH22 ARG A 72 -17.296 -21.294 2.977 1.00 41.54 H new ATOM 1062 N GLU A 73 -10.806 -22.893 3.131 1.00 52.45 N ATOM 1063 CA GLU A 73 -10.097 -22.317 2.040 1.00 33.01 C ATOM 1064 C GLU A 73 -8.585 -22.313 2.286 1.00 22.32 C ATOM 1065 O GLU A 73 -7.804 -22.567 1.370 1.00 10.41 O ATOM 1066 CB GLU A 73 -10.623 -20.879 1.762 1.00 30.33 C ATOM 1067 CG GLU A 73 -12.127 -20.763 1.347 1.00 2.22 C ATOM 1068 CD GLU A 73 -13.186 -20.888 2.463 1.00 52.44 C ATOM 1069 OE1 GLU A 73 -13.034 -21.679 3.417 1.00 73.42 O ATOM 1070 OE2 GLU A 73 -14.225 -20.204 2.386 1.00 32.34 O ATOM 0 H GLU A 73 -11.508 -22.259 3.513 1.00 52.45 H new ATOM 0 HA GLU A 73 -10.275 -22.932 1.158 1.00 33.01 H new ATOM 0 HB2 GLU A 73 -10.467 -20.278 2.658 1.00 30.33 H new ATOM 0 HB3 GLU A 73 -10.015 -20.438 0.972 1.00 30.33 H new ATOM 0 HG2 GLU A 73 -12.267 -19.800 0.857 1.00 2.22 H new ATOM 0 HG3 GLU A 73 -12.331 -21.532 0.602 1.00 2.22 H new ATOM 1077 N LEU A 74 -8.173 -22.071 3.527 1.00 61.41 N ATOM 1078 CA LEU A 74 -6.751 -22.056 3.822 1.00 61.44 C ATOM 1079 C LEU A 74 -6.210 -23.470 3.930 1.00 62.32 C ATOM 1080 O LEU A 74 -5.066 -23.719 3.584 1.00 61.42 O ATOM 1081 CB LEU A 74 -6.396 -21.327 5.118 1.00 73.51 C ATOM 1082 CG LEU A 74 -6.829 -19.882 5.298 1.00 63.13 C ATOM 1083 CD1 LEU A 74 -6.053 -19.264 6.435 1.00 23.33 C ATOM 1084 CD2 LEU A 74 -6.653 -19.064 4.047 1.00 33.34 C ATOM 0 H LEU A 74 -8.786 -21.888 4.321 1.00 61.41 H new ATOM 0 HA LEU A 74 -6.298 -21.516 2.991 1.00 61.44 H new ATOM 0 HB2 LEU A 74 -6.817 -21.901 5.943 1.00 73.51 H new ATOM 0 HB3 LEU A 74 -5.312 -21.361 5.227 1.00 73.51 H new ATOM 0 HG LEU A 74 -7.895 -19.884 5.526 1.00 63.13 H new ATOM 0 HD11 LEU A 74 -6.363 -18.227 6.565 1.00 23.33 H new ATOM 0 HD12 LEU A 74 -6.248 -19.819 7.353 1.00 23.33 H new ATOM 0 HD13 LEU A 74 -4.987 -19.299 6.209 1.00 23.33 H new ATOM 0 HD21 LEU A 74 -6.978 -18.040 4.233 1.00 33.34 H new ATOM 0 HD22 LEU A 74 -5.602 -19.064 3.757 1.00 33.34 H new ATOM 0 HD23 LEU A 74 -7.251 -19.494 3.244 1.00 33.34 H new ATOM 1096 N TYR A 75 -7.037 -24.392 4.430 1.00 71.11 N ATOM 1097 CA TYR A 75 -6.616 -25.788 4.590 1.00 2.24 C ATOM 1098 C TYR A 75 -6.562 -26.508 3.283 1.00 52.12 C ATOM 1099 O TYR A 75 -5.845 -27.493 3.145 1.00 44.44 O ATOM 1100 CB TYR A 75 -7.490 -26.577 5.587 1.00 32.01 C ATOM 1101 CG TYR A 75 -7.289 -26.219 6.974 1.00 64.32 C ATOM 1102 CD1 TYR A 75 -6.029 -26.143 7.497 1.00 24.32 C ATOM 1103 CD2 TYR A 75 -8.361 -25.983 7.777 1.00 20.14 C ATOM 1104 CE1 TYR A 75 -5.841 -25.823 8.804 1.00 52.14 C ATOM 1105 CE2 TYR A 75 -8.195 -25.666 9.079 1.00 14.53 C ATOM 1106 CZ TYR A 75 -6.934 -25.580 9.594 1.00 2.31 C ATOM 1107 OH TYR A 75 -6.763 -25.251 10.889 1.00 30.33 O ATOM 0 H TYR A 75 -7.993 -24.201 4.729 1.00 71.11 H new ATOM 0 HA TYR A 75 -5.610 -25.736 5.006 1.00 2.24 H new ATOM 0 HB2 TYR A 75 -8.539 -26.422 5.333 1.00 32.01 H new ATOM 0 HB3 TYR A 75 -7.287 -27.641 5.466 1.00 32.01 H new ATOM 0 HD1 TYR A 75 -5.175 -26.339 6.866 1.00 24.32 H new ATOM 0 HD2 TYR A 75 -9.358 -26.050 7.368 1.00 20.14 H new ATOM 0 HE1 TYR A 75 -4.844 -25.761 9.215 1.00 52.14 H new ATOM 0 HE2 TYR A 75 -9.053 -25.482 9.708 1.00 14.53 H new ATOM 0 HH TYR A 75 -7.637 -25.110 11.309 1.00 30.33 H new ATOM 1117 N ALA A 76 -7.313 -26.024 2.329 1.00 1.33 N ATOM 1118 CA ALA A 76 -7.344 -26.643 1.038 1.00 43.05 C ATOM 1119 C ALA A 76 -6.032 -26.403 0.289 1.00 63.34 C ATOM 1120 O ALA A 76 -5.593 -27.234 -0.502 1.00 33.23 O ATOM 1121 CB ALA A 76 -8.542 -26.171 0.230 1.00 4.04 C ATOM 0 H ALA A 76 -7.910 -25.203 2.425 1.00 1.33 H new ATOM 0 HA ALA A 76 -7.453 -27.718 1.181 1.00 43.05 H new ATOM 0 HB1 ALA A 76 -8.538 -26.658 -0.745 1.00 4.04 H new ATOM 0 HB2 ALA A 76 -9.461 -26.425 0.759 1.00 4.04 H new ATOM 0 HB3 ALA A 76 -8.488 -25.091 0.096 1.00 4.04 H new ATOM 1127 N ALA A 77 -5.414 -25.268 0.552 1.00 70.51 N ATOM 1128 CA ALA A 77 -4.146 -24.936 -0.050 1.00 23.23 C ATOM 1129 C ALA A 77 -3.302 -24.112 0.918 1.00 12.31 C ATOM 1130 O ALA A 77 -3.262 -22.880 0.832 1.00 74.03 O ATOM 1131 CB ALA A 77 -4.339 -24.190 -1.370 1.00 12.21 C ATOM 0 H ALA A 77 -5.778 -24.556 1.186 1.00 70.51 H new ATOM 0 HA ALA A 77 -3.619 -25.865 -0.269 1.00 23.23 H new ATOM 0 HB1 ALA A 77 -3.366 -23.953 -1.800 1.00 12.21 H new ATOM 0 HB2 ALA A 77 -4.899 -24.817 -2.064 1.00 12.21 H new ATOM 0 HB3 ALA A 77 -4.890 -23.267 -1.189 1.00 12.21 H new ATOM 1137 N PRO A 78 -2.644 -24.755 1.891 1.00 43.45 N ATOM 1138 CA PRO A 78 -1.862 -24.044 2.864 1.00 32.30 C ATOM 1139 C PRO A 78 -0.453 -23.780 2.371 1.00 35.20 C ATOM 1140 O PRO A 78 0.483 -24.554 2.628 1.00 13.41 O ATOM 1141 CB PRO A 78 -1.849 -24.980 4.084 1.00 14.15 C ATOM 1142 CG PRO A 78 -2.451 -26.283 3.617 1.00 73.44 C ATOM 1143 CD PRO A 78 -2.618 -26.194 2.125 1.00 10.32 C ATOM 0 HA PRO A 78 -2.278 -23.061 3.085 1.00 32.30 H new ATOM 0 HB2 PRO A 78 -0.833 -25.129 4.450 1.00 14.15 H new ATOM 0 HB3 PRO A 78 -2.426 -24.557 4.906 1.00 14.15 H new ATOM 0 HG2 PRO A 78 -1.805 -27.120 3.881 1.00 73.44 H new ATOM 0 HG3 PRO A 78 -3.412 -26.457 4.101 1.00 73.44 H new ATOM 0 HD2 PRO A 78 -1.796 -26.676 1.596 1.00 10.32 H new ATOM 0 HD3 PRO A 78 -3.537 -26.675 1.791 1.00 10.32 H new ATOM 1151 N THR A 79 -0.318 -22.689 1.670 1.00 31.31 N ATOM 1152 CA THR A 79 0.926 -22.230 1.115 1.00 45.54 C ATOM 1153 C THR A 79 0.838 -20.743 1.073 1.00 54.13 C ATOM 1154 O THR A 79 -0.264 -20.208 0.946 1.00 61.53 O ATOM 1155 CB THR A 79 1.142 -22.733 -0.346 1.00 30.11 C ATOM 1156 OG1 THR A 79 0.011 -22.387 -1.155 1.00 60.10 O ATOM 1157 CG2 THR A 79 1.357 -24.225 -0.412 1.00 11.03 C ATOM 0 H THR A 79 -1.102 -22.071 1.461 1.00 31.31 H new ATOM 0 HA THR A 79 1.751 -22.604 1.722 1.00 45.54 H new ATOM 0 HB THR A 79 2.042 -22.246 -0.722 1.00 30.11 H new ATOM 0 HG1 THR A 79 0.155 -22.704 -2.071 1.00 60.10 H new ATOM 0 HG21 THR A 79 1.503 -24.526 -1.449 1.00 11.03 H new ATOM 0 HG22 THR A 79 2.239 -24.492 0.170 1.00 11.03 H new ATOM 0 HG23 THR A 79 0.485 -24.737 -0.005 1.00 11.03 H new ATOM 1165 N LEU A 80 1.939 -20.072 1.158 1.00 44.34 N ATOM 1166 CA LEU A 80 1.920 -18.639 1.113 1.00 41.45 C ATOM 1167 C LEU A 80 1.545 -18.143 -0.274 1.00 33.34 C ATOM 1168 O LEU A 80 0.876 -17.144 -0.404 1.00 32.30 O ATOM 1169 CB LEU A 80 3.231 -18.068 1.595 1.00 71.05 C ATOM 1170 CG LEU A 80 3.141 -17.276 2.888 1.00 70.10 C ATOM 1171 CD1 LEU A 80 4.502 -16.905 3.363 1.00 3.41 C ATOM 1172 CD2 LEU A 80 2.329 -16.030 2.678 1.00 41.11 C ATOM 0 H LEU A 80 2.865 -20.488 1.259 1.00 44.34 H new ATOM 0 HA LEU A 80 1.149 -18.281 1.795 1.00 41.45 H new ATOM 0 HB2 LEU A 80 3.939 -18.885 1.734 1.00 71.05 H new ATOM 0 HB3 LEU A 80 3.639 -17.422 0.817 1.00 71.05 H new ATOM 0 HG LEU A 80 2.657 -17.899 3.640 1.00 70.10 H new ATOM 0 HD11 LEU A 80 4.422 -16.338 4.290 1.00 3.41 H new ATOM 0 HD12 LEU A 80 5.085 -17.809 3.540 1.00 3.41 H new ATOM 0 HD13 LEU A 80 4.998 -16.296 2.607 1.00 3.41 H new ATOM 0 HD21 LEU A 80 2.272 -15.471 3.612 1.00 41.11 H new ATOM 0 HD22 LEU A 80 2.801 -15.412 1.914 1.00 41.11 H new ATOM 0 HD23 LEU A 80 1.324 -16.301 2.355 1.00 41.11 H new ATOM 1184 N ALA A 81 1.928 -18.903 -1.289 1.00 2.04 N ATOM 1185 CA ALA A 81 1.585 -18.601 -2.672 1.00 1.31 C ATOM 1186 C ALA A 81 0.078 -18.538 -2.864 1.00 73.03 C ATOM 1187 O ALA A 81 -0.443 -17.566 -3.424 1.00 52.52 O ATOM 1188 CB ALA A 81 2.195 -19.636 -3.611 1.00 14.20 C ATOM 0 H ALA A 81 2.487 -19.749 -1.177 1.00 2.04 H new ATOM 0 HA ALA A 81 1.997 -17.621 -2.913 1.00 1.31 H new ATOM 0 HB1 ALA A 81 1.929 -19.395 -4.640 1.00 14.20 H new ATOM 0 HB2 ALA A 81 3.280 -19.628 -3.505 1.00 14.20 H new ATOM 0 HB3 ALA A 81 1.813 -20.625 -3.359 1.00 14.20 H new ATOM 1194 N ALA A 82 -0.627 -19.557 -2.381 1.00 51.24 N ATOM 1195 CA ALA A 82 -2.069 -19.582 -2.509 1.00 74.25 C ATOM 1196 C ALA A 82 -2.693 -18.542 -1.621 1.00 10.15 C ATOM 1197 O ALA A 82 -3.602 -17.858 -2.035 1.00 72.43 O ATOM 1198 CB ALA A 82 -2.642 -20.946 -2.205 1.00 2.43 C ATOM 0 H ALA A 82 -0.224 -20.364 -1.904 1.00 51.24 H new ATOM 0 HA ALA A 82 -2.307 -19.353 -3.548 1.00 74.25 H new ATOM 0 HB1 ALA A 82 -3.726 -20.918 -2.314 1.00 2.43 H new ATOM 0 HB2 ALA A 82 -2.227 -21.678 -2.898 1.00 2.43 H new ATOM 0 HB3 ALA A 82 -2.387 -21.228 -1.184 1.00 2.43 H new ATOM 1204 N TRP A 83 -2.174 -18.403 -0.411 1.00 41.44 N ATOM 1205 CA TRP A 83 -2.691 -17.422 0.532 1.00 51.13 C ATOM 1206 C TRP A 83 -2.558 -16.019 -0.002 1.00 40.15 C ATOM 1207 O TRP A 83 -3.524 -15.304 -0.051 1.00 12.33 O ATOM 1208 CB TRP A 83 -2.021 -17.536 1.886 1.00 44.11 C ATOM 1209 CG TRP A 83 -2.431 -18.732 2.690 1.00 55.24 C ATOM 1210 CD1 TRP A 83 -3.061 -19.869 2.264 1.00 70.43 C ATOM 1211 CD2 TRP A 83 -2.233 -18.887 4.071 1.00 50.23 C ATOM 1212 NE1 TRP A 83 -3.233 -20.729 3.303 1.00 22.53 N ATOM 1213 CE2 TRP A 83 -2.746 -20.133 4.438 1.00 63.25 C ATOM 1214 CE3 TRP A 83 -1.663 -18.078 5.032 1.00 14.24 C ATOM 1215 CZ2 TRP A 83 -2.704 -20.582 5.737 1.00 5.14 C ATOM 1216 CZ3 TRP A 83 -1.618 -18.519 6.332 1.00 42.51 C ATOM 1217 CH2 TRP A 83 -2.138 -19.762 6.678 1.00 41.23 C ATOM 0 H TRP A 83 -1.394 -18.958 -0.058 1.00 41.44 H new ATOM 0 HA TRP A 83 -3.751 -17.640 0.662 1.00 51.13 H new ATOM 0 HB2 TRP A 83 -0.941 -17.566 1.740 1.00 44.11 H new ATOM 0 HB3 TRP A 83 -2.240 -16.636 2.461 1.00 44.11 H new ATOM 0 HD1 TRP A 83 -3.376 -20.057 1.248 1.00 70.43 H new ATOM 0 HE1 TRP A 83 -3.652 -21.657 3.248 1.00 22.53 H new ATOM 0 HE3 TRP A 83 -1.258 -17.113 4.766 1.00 14.24 H new ATOM 0 HZ2 TRP A 83 -3.104 -21.548 6.007 1.00 5.14 H new ATOM 0 HZ3 TRP A 83 -1.174 -17.894 7.093 1.00 42.51 H new ATOM 0 HH2 TRP A 83 -2.095 -20.087 7.707 1.00 41.23 H new ATOM 1228 N ASN A 84 -1.359 -15.654 -0.425 1.00 64.25 N ATOM 1229 CA ASN A 84 -1.079 -14.332 -1.018 1.00 34.01 C ATOM 1230 C ASN A 84 -2.016 -14.080 -2.211 1.00 73.51 C ATOM 1231 O ASN A 84 -2.584 -12.985 -2.361 1.00 20.11 O ATOM 1232 CB ASN A 84 0.412 -14.245 -1.428 1.00 2.32 C ATOM 1233 CG ASN A 84 0.826 -12.919 -2.055 1.00 53.55 C ATOM 1234 OD1 ASN A 84 0.231 -11.874 -1.809 1.00 54.13 O ATOM 1235 ND2 ASN A 84 1.894 -12.947 -2.818 1.00 11.55 N ATOM 0 H ASN A 84 -0.541 -16.260 -0.372 1.00 64.25 H new ATOM 0 HA ASN A 84 -1.268 -13.552 -0.281 1.00 34.01 H new ATOM 0 HB2 ASN A 84 1.028 -14.422 -0.546 1.00 2.32 H new ATOM 0 HB3 ASN A 84 0.628 -15.047 -2.133 1.00 2.32 H new ATOM 0 HD21 ASN A 84 2.252 -12.083 -3.226 1.00 11.55 H new ATOM 0 HD22 ASN A 84 2.366 -13.832 -3.003 1.00 11.55 H new ATOM 1242 N GLN A 85 -2.232 -15.123 -3.011 1.00 52.10 N ATOM 1243 CA GLN A 85 -3.180 -15.082 -4.118 1.00 11.12 C ATOM 1244 C GLN A 85 -4.590 -14.784 -3.579 1.00 20.32 C ATOM 1245 O GLN A 85 -5.256 -13.849 -4.032 1.00 3.53 O ATOM 1246 CB GLN A 85 -3.169 -16.422 -4.867 1.00 34.32 C ATOM 1247 CG GLN A 85 -4.150 -16.507 -6.024 1.00 53.21 C ATOM 1248 CD GLN A 85 -4.124 -17.860 -6.696 1.00 31.14 C ATOM 1249 OE1 GLN A 85 -4.845 -18.765 -6.320 1.00 63.24 O ATOM 1250 NE2 GLN A 85 -3.293 -18.007 -7.696 1.00 62.43 N ATOM 0 H GLN A 85 -1.754 -16.018 -2.908 1.00 52.10 H new ATOM 0 HA GLN A 85 -2.891 -14.293 -4.812 1.00 11.12 H new ATOM 0 HB2 GLN A 85 -2.163 -16.603 -5.246 1.00 34.32 H new ATOM 0 HB3 GLN A 85 -3.392 -17.221 -4.159 1.00 34.32 H new ATOM 0 HG2 GLN A 85 -5.157 -16.303 -5.660 1.00 53.21 H new ATOM 0 HG3 GLN A 85 -3.913 -15.735 -6.756 1.00 53.21 H new ATOM 0 HE21 GLN A 85 -2.702 -17.228 -7.987 1.00 62.43 H new ATOM 0 HE22 GLN A 85 -3.236 -18.900 -8.185 1.00 62.43 H new ATOM 1259 N LEU A 86 -4.999 -15.555 -2.574 1.00 52.11 N ATOM 1260 CA LEU A 86 -6.294 -15.412 -1.908 1.00 64.42 C ATOM 1261 C LEU A 86 -6.458 -14.031 -1.267 1.00 11.24 C ATOM 1262 O LEU A 86 -7.561 -13.544 -1.146 1.00 50.33 O ATOM 1263 CB LEU A 86 -6.452 -16.474 -0.803 1.00 61.22 C ATOM 1264 CG LEU A 86 -6.501 -17.946 -1.237 1.00 32.42 C ATOM 1265 CD1 LEU A 86 -6.508 -18.834 -0.024 1.00 4.13 C ATOM 1266 CD2 LEU A 86 -7.737 -18.237 -2.059 1.00 32.12 C ATOM 0 H LEU A 86 -4.430 -16.311 -2.192 1.00 52.11 H new ATOM 0 HA LEU A 86 -7.056 -15.542 -2.676 1.00 64.42 H new ATOM 0 HB2 LEU A 86 -5.625 -16.357 -0.103 1.00 61.22 H new ATOM 0 HB3 LEU A 86 -7.368 -16.254 -0.254 1.00 61.22 H new ATOM 0 HG LEU A 86 -5.619 -18.142 -1.847 1.00 32.42 H new ATOM 0 HD11 LEU A 86 -6.543 -19.877 -0.337 1.00 4.13 H new ATOM 0 HD12 LEU A 86 -5.604 -18.660 0.559 1.00 4.13 H new ATOM 0 HD13 LEU A 86 -7.382 -18.609 0.587 1.00 4.13 H new ATOM 0 HD21 LEU A 86 -7.741 -19.287 -2.350 1.00 32.12 H new ATOM 0 HD22 LEU A 86 -8.627 -18.021 -1.467 1.00 32.12 H new ATOM 0 HD23 LEU A 86 -7.735 -17.613 -2.953 1.00 32.12 H new ATOM 1278 N MET A 87 -5.345 -13.387 -0.936 1.00 20.33 N ATOM 1279 CA MET A 87 -5.338 -12.144 -0.167 1.00 4.24 C ATOM 1280 C MET A 87 -5.599 -10.996 -1.051 1.00 24.21 C ATOM 1281 O MET A 87 -6.523 -10.205 -0.825 1.00 42.13 O ATOM 1282 CB MET A 87 -3.994 -11.937 0.538 1.00 53.42 C ATOM 1283 CG MET A 87 -3.741 -12.901 1.672 1.00 32.25 C ATOM 1284 SD MET A 87 -2.208 -12.578 2.538 1.00 23.23 S ATOM 1285 CE MET A 87 -2.588 -10.978 3.222 1.00 3.33 C ATOM 0 H MET A 87 -4.414 -13.714 -1.195 1.00 20.33 H new ATOM 0 HA MET A 87 -6.123 -12.217 0.585 1.00 4.24 H new ATOM 0 HB2 MET A 87 -3.192 -12.035 -0.194 1.00 53.42 H new ATOM 0 HB3 MET A 87 -3.951 -10.919 0.924 1.00 53.42 H new ATOM 0 HG2 MET A 87 -4.569 -12.847 2.379 1.00 32.25 H new ATOM 0 HG3 MET A 87 -3.723 -13.918 1.280 1.00 32.25 H new ATOM 0 HE1 MET A 87 -1.998 -10.818 4.124 1.00 3.33 H new ATOM 0 HE2 MET A 87 -2.351 -10.204 2.492 1.00 3.33 H new ATOM 0 HE3 MET A 87 -3.649 -10.931 3.469 1.00 3.33 H new ATOM 1295 N LEU A 88 -4.819 -10.932 -2.084 1.00 32.40 N ATOM 1296 CA LEU A 88 -4.915 -9.934 -3.054 1.00 41.53 C ATOM 1297 C LEU A 88 -6.262 -10.037 -3.767 1.00 44.20 C ATOM 1298 O LEU A 88 -6.872 -9.039 -4.124 1.00 72.30 O ATOM 1299 CB LEU A 88 -3.760 -10.133 -4.010 1.00 61.24 C ATOM 1300 CG LEU A 88 -3.968 -9.563 -5.360 1.00 52.25 C ATOM 1301 CD1 LEU A 88 -4.036 -8.026 -5.309 1.00 5.21 C ATOM 1302 CD2 LEU A 88 -2.921 -10.042 -6.337 1.00 12.33 C ATOM 0 H LEU A 88 -4.076 -11.608 -2.264 1.00 32.40 H new ATOM 0 HA LEU A 88 -4.861 -8.938 -2.614 1.00 41.53 H new ATOM 0 HB2 LEU A 88 -2.866 -9.686 -3.576 1.00 61.24 H new ATOM 0 HB3 LEU A 88 -3.567 -11.201 -4.108 1.00 61.24 H new ATOM 0 HG LEU A 88 -4.930 -9.924 -5.723 1.00 52.25 H new ATOM 0 HD11 LEU A 88 -4.189 -7.635 -6.315 1.00 5.21 H new ATOM 0 HD12 LEU A 88 -4.864 -7.719 -4.670 1.00 5.21 H new ATOM 0 HD13 LEU A 88 -3.102 -7.634 -4.906 1.00 5.21 H new ATOM 0 HD21 LEU A 88 -3.108 -9.601 -7.316 1.00 12.33 H new ATOM 0 HD22 LEU A 88 -1.933 -9.742 -5.987 1.00 12.33 H new ATOM 0 HD23 LEU A 88 -2.965 -11.128 -6.414 1.00 12.33 H new ATOM 1314 N SER A 89 -6.748 -11.244 -3.906 1.00 43.44 N ATOM 1315 CA SER A 89 -7.997 -11.455 -4.563 1.00 73.22 C ATOM 1316 C SER A 89 -9.202 -11.160 -3.613 1.00 63.53 C ATOM 1317 O SER A 89 -10.361 -11.480 -3.929 1.00 60.00 O ATOM 1318 CB SER A 89 -8.068 -12.874 -5.120 1.00 43.23 C ATOM 1319 OG SER A 89 -6.967 -13.129 -5.978 1.00 42.12 O ATOM 0 H SER A 89 -6.291 -12.092 -3.570 1.00 43.44 H new ATOM 0 HA SER A 89 -8.065 -10.754 -5.395 1.00 73.22 H new ATOM 0 HB2 SER A 89 -8.071 -13.593 -4.300 1.00 43.23 H new ATOM 0 HB3 SER A 89 -9.001 -13.010 -5.667 1.00 43.23 H new ATOM 0 HG SER A 89 -6.164 -13.293 -5.440 1.00 42.12 H new