USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 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 84 ASN : amide:sc= 0.27 X(o=0.37,f=0.34) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.103 X(o=0.37,f=0.34) USER MOD Set 2.1: A 67 TYR OH : rot 167:sc= -1.11 USER MOD Set 2.2: A 87 MET CE :methyl 177:sc= -0.0943 (180deg=-0.11) USER MOD Set 3.1: A 64 LYS NZ :NH3+ -178:sc= 1.37 (180deg=0.0384) USER MOD Set 3.2: A 65 ASN : amide:sc= 1.69 K(o=3.1,f=-13!) USER MOD Set 4.1: A 44 ASN : amide:sc= -0.768 K(o=-0.77,f=-8.3!) USER MOD Set 4.2: A 47 GLN : amide:sc= 0 K(o=-0.77,f=-1.9) USER MOD Set 5.1: A 35 THR OG1 : rot -27:sc= 1.24 USER MOD Set 5.2: A 38 GLN : amide:sc= 1.73 K(o=3,f=-3.7!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 21 TYR OH : rot -72:sc= 0.184 USER MOD Single : A 22 GLN : amide:sc= 1.19 K(o=1.2,f=-0.43) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.202 F(o=-1.1,f=-0.2) USER MOD Single : A 30 GLN : amide:sc= 0.844 K(o=0.84,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.186 F(o=-0.97,f=-0.19) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 HIS : no HE2:sc= 0.0405 K(o=0.041,f=-2.7!) USER MOD Single : A 43 SER OG : rot -149:sc= 1.54 USER MOD Single : A 56 MET CE :methyl 148:sc= -0.531 (180deg=-2.54!) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.269 F(o=-1,f=-0.27) USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.832 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 89 SER OG : rot 84:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -4.294 -4.925 -0.047 1.00 50.23 N ATOM 52 CA HIS A 17 -4.353 -5.599 1.256 1.00 55.35 C ATOM 53 C HIS A 17 -3.317 -6.691 1.297 1.00 3.42 C ATOM 54 O HIS A 17 -2.927 -7.181 2.349 1.00 3.30 O ATOM 55 CB HIS A 17 -5.768 -6.096 1.595 1.00 52.20 C ATOM 56 CG HIS A 17 -6.797 -5.011 1.814 1.00 53.15 C ATOM 57 ND1 HIS A 17 -7.427 -4.774 3.020 1.00 64.53 N ATOM 58 CD2 HIS A 17 -7.330 -4.121 0.941 1.00 51.13 C ATOM 59 CE1 HIS A 17 -8.297 -3.776 2.843 1.00 45.33 C ATOM 60 NE2 HIS A 17 -8.278 -3.345 1.596 1.00 42.10 N ATOM 0 HA HIS A 17 -4.118 -4.878 2.039 1.00 55.35 H new ATOM 0 HB2 HIS A 17 -6.112 -6.742 0.787 1.00 52.20 H new ATOM 0 HB3 HIS A 17 -5.714 -6.710 2.494 1.00 52.20 H new ATOM 0 HD2 HIS A 17 -7.060 -4.030 -0.101 1.00 51.13 H new ATOM 0 HE1 HIS A 17 -8.932 -3.375 3.619 1.00 45.33 H new ATOM 0 HE2 HIS A 17 -8.843 -2.596 1.195 1.00 42.10 H new ATOM 68 N ALA A 18 -2.887 -7.072 0.118 1.00 74.52 N ATOM 69 CA ALA A 18 -1.810 -8.007 -0.079 1.00 34.23 C ATOM 70 C ALA A 18 -0.492 -7.491 0.529 1.00 74.42 C ATOM 71 O ALA A 18 0.439 -8.231 0.658 1.00 25.51 O ATOM 72 CB ALA A 18 -1.657 -8.351 -1.540 1.00 44.14 C ATOM 0 H ALA A 18 -3.289 -6.729 -0.754 1.00 74.52 H new ATOM 0 HA ALA A 18 -2.064 -8.925 0.451 1.00 34.23 H new ATOM 0 HB1 ALA A 18 -0.837 -9.059 -1.663 1.00 44.14 H new ATOM 0 HB2 ALA A 18 -2.581 -8.798 -1.907 1.00 44.14 H new ATOM 0 HB3 ALA A 18 -1.442 -7.445 -2.107 1.00 44.14 H new ATOM 78 N ALA A 19 -0.403 -6.202 0.827 1.00 13.32 N ATOM 79 CA ALA A 19 0.766 -5.654 1.522 1.00 14.40 C ATOM 80 C ALA A 19 0.876 -6.239 2.931 1.00 24.13 C ATOM 81 O ALA A 19 1.964 -6.372 3.469 1.00 55.12 O ATOM 82 CB ALA A 19 0.704 -4.135 1.564 1.00 24.31 C ATOM 0 H ALA A 19 -1.121 -5.514 0.601 1.00 13.32 H new ATOM 0 HA ALA A 19 1.661 -5.937 0.968 1.00 14.40 H new ATOM 0 HB1 ALA A 19 1.581 -3.749 2.084 1.00 24.31 H new ATOM 0 HB2 ALA A 19 0.684 -3.743 0.547 1.00 24.31 H new ATOM 0 HB3 ALA A 19 -0.197 -3.822 2.091 1.00 24.31 H new ATOM 88 N ASP A 20 -0.255 -6.656 3.485 1.00 43.43 N ATOM 89 CA ASP A 20 -0.299 -7.265 4.822 1.00 72.03 C ATOM 90 C ASP A 20 0.350 -8.667 4.768 1.00 50.31 C ATOM 91 O ASP A 20 0.778 -9.218 5.780 1.00 74.13 O ATOM 92 CB ASP A 20 -1.749 -7.307 5.325 1.00 4.22 C ATOM 93 CG ASP A 20 -1.915 -7.744 6.766 1.00 31.34 C ATOM 94 OD1 ASP A 20 -1.493 -7.020 7.694 1.00 75.51 O ATOM 95 OD2 ASP A 20 -2.580 -8.756 7.007 1.00 2.12 O ATOM 0 H ASP A 20 -1.165 -6.586 3.030 1.00 43.43 H new ATOM 0 HA ASP A 20 0.271 -6.666 5.533 1.00 72.03 H new ATOM 0 HB2 ASP A 20 -2.187 -6.315 5.209 1.00 4.22 H new ATOM 0 HB3 ASP A 20 -2.319 -7.983 4.688 1.00 4.22 H new ATOM 100 N TYR A 21 0.464 -9.206 3.532 1.00 4.31 N ATOM 101 CA TYR A 21 1.196 -10.485 3.252 1.00 71.41 C ATOM 102 C TYR A 21 2.625 -10.381 3.772 1.00 23.43 C ATOM 103 O TYR A 21 3.204 -11.371 4.233 1.00 31.41 O ATOM 104 CB TYR A 21 1.225 -10.770 1.717 1.00 64.15 C ATOM 105 CG TYR A 21 2.133 -11.908 1.207 1.00 44.23 C ATOM 106 CD1 TYR A 21 3.531 -11.772 1.169 1.00 64.13 C ATOM 107 CD2 TYR A 21 1.598 -13.096 0.744 1.00 41.13 C ATOM 108 CE1 TYR A 21 4.333 -12.766 0.705 1.00 23.01 C ATOM 109 CE2 TYR A 21 2.419 -14.106 0.269 1.00 11.23 C ATOM 110 CZ TYR A 21 3.787 -13.924 0.253 1.00 32.34 C ATOM 111 OH TYR A 21 4.616 -14.924 -0.166 1.00 22.14 O ATOM 0 H TYR A 21 0.058 -8.778 2.700 1.00 4.31 H new ATOM 0 HA TYR A 21 0.678 -11.302 3.755 1.00 71.41 H new ATOM 0 HB2 TYR A 21 0.206 -10.989 1.399 1.00 64.15 H new ATOM 0 HB3 TYR A 21 1.526 -9.852 1.213 1.00 64.15 H new ATOM 0 HD1 TYR A 21 3.980 -10.854 1.518 1.00 64.13 H new ATOM 0 HD2 TYR A 21 0.527 -13.238 0.753 1.00 41.13 H new ATOM 0 HE1 TYR A 21 5.405 -12.635 0.696 1.00 23.01 H new ATOM 0 HE2 TYR A 21 1.991 -15.031 -0.087 1.00 11.23 H new ATOM 0 HH TYR A 21 5.028 -14.672 -1.019 1.00 22.14 H new ATOM 121 N GLN A 22 3.189 -9.182 3.675 1.00 74.32 N ATOM 122 CA GLN A 22 4.544 -8.923 4.145 1.00 24.30 C ATOM 123 C GLN A 22 4.647 -9.281 5.615 1.00 10.33 C ATOM 124 O GLN A 22 5.511 -10.064 6.018 1.00 71.32 O ATOM 125 CB GLN A 22 4.920 -7.449 3.908 1.00 52.30 C ATOM 126 CG GLN A 22 6.280 -7.027 4.465 1.00 61.21 C ATOM 127 CD GLN A 22 7.443 -7.834 3.913 1.00 32.23 C ATOM 128 OE1 GLN A 22 7.411 -8.322 2.775 1.00 64.52 O ATOM 129 NE2 GLN A 22 8.462 -7.996 4.707 1.00 74.41 N ATOM 0 H GLN A 22 2.724 -8.369 3.272 1.00 74.32 H new ATOM 0 HA GLN A 22 5.246 -9.541 3.585 1.00 24.30 H new ATOM 0 HB2 GLN A 22 4.909 -7.256 2.835 1.00 52.30 H new ATOM 0 HB3 GLN A 22 4.151 -6.818 4.354 1.00 52.30 H new ATOM 0 HG2 GLN A 22 6.443 -5.973 4.242 1.00 61.21 H new ATOM 0 HG3 GLN A 22 6.264 -7.125 5.551 1.00 61.21 H new ATOM 0 HE21 GLN A 22 8.454 -7.580 5.638 1.00 74.41 H new ATOM 0 HE22 GLN A 22 9.268 -8.539 4.398 1.00 74.41 H new ATOM 138 N GLN A 23 3.688 -8.802 6.379 1.00 60.22 N ATOM 139 CA GLN A 23 3.682 -9.029 7.818 1.00 24.53 C ATOM 140 C GLN A 23 3.413 -10.507 8.134 1.00 42.10 C ATOM 141 O GLN A 23 3.899 -11.050 9.145 1.00 62.41 O ATOM 142 CB GLN A 23 2.655 -8.127 8.526 1.00 54.12 C ATOM 143 CG GLN A 23 2.720 -6.641 8.131 1.00 61.23 C ATOM 144 CD GLN A 23 4.126 -6.029 8.168 1.00 24.12 C ATOM 145 OE1 GLN A 23 4.982 -6.516 9.032 1.00 34.00 O flip ATOM 146 NE2 GLN A 23 4.416 -5.113 7.411 1.00 3.01 N flip ATOM 0 H GLN A 23 2.901 -8.253 6.033 1.00 60.22 H new ATOM 0 HA GLN A 23 4.670 -8.769 8.198 1.00 24.53 H new ATOM 0 HB2 GLN A 23 1.654 -8.502 8.311 1.00 54.12 H new ATOM 0 HB3 GLN A 23 2.802 -8.209 9.603 1.00 54.12 H new ATOM 0 HG2 GLN A 23 2.316 -6.528 7.125 1.00 61.23 H new ATOM 0 HG3 GLN A 23 2.073 -6.073 8.800 1.00 61.23 H new ATOM 0 HE21 GLN A 23 3.724 -4.759 6.751 1.00 3.01 H new ATOM 0 HE22 GLN A 23 5.350 -4.704 7.440 1.00 3.01 H new ATOM 155 N LEU A 24 2.641 -11.154 7.257 1.00 43.50 N ATOM 156 CA LEU A 24 2.347 -12.586 7.356 1.00 31.44 C ATOM 157 C LEU A 24 3.653 -13.338 7.260 1.00 65.53 C ATOM 158 O LEU A 24 3.989 -14.155 8.126 1.00 43.10 O ATOM 159 CB LEU A 24 1.407 -13.015 6.194 1.00 1.33 C ATOM 160 CG LEU A 24 0.551 -14.298 6.373 1.00 43.12 C ATOM 161 CD1 LEU A 24 -0.284 -14.550 5.165 1.00 25.01 C ATOM 162 CD2 LEU A 24 1.367 -15.530 6.657 1.00 51.00 C ATOM 0 H LEU A 24 2.201 -10.699 6.457 1.00 43.50 H new ATOM 0 HA LEU A 24 1.851 -12.805 8.301 1.00 31.44 H new ATOM 0 HB2 LEU A 24 0.727 -12.187 5.994 1.00 1.33 H new ATOM 0 HB3 LEU A 24 2.020 -13.146 5.302 1.00 1.33 H new ATOM 0 HG LEU A 24 -0.078 -14.107 7.243 1.00 43.12 H new ATOM 0 HD11 LEU A 24 -0.875 -15.454 5.313 1.00 25.01 H new ATOM 0 HD12 LEU A 24 -0.951 -13.703 5.000 1.00 25.01 H new ATOM 0 HD13 LEU A 24 0.362 -14.677 4.296 1.00 25.01 H new ATOM 0 HD21 LEU A 24 0.704 -16.388 6.770 1.00 51.00 H new ATOM 0 HD22 LEU A 24 2.054 -15.710 5.830 1.00 51.00 H new ATOM 0 HD23 LEU A 24 1.935 -15.386 7.576 1.00 51.00 H new ATOM 174 N ARG A 25 4.401 -13.007 6.244 1.00 20.04 N ATOM 175 CA ARG A 25 5.621 -13.664 5.938 1.00 22.25 C ATOM 176 C ARG A 25 6.648 -13.466 7.056 1.00 5.43 C ATOM 177 O ARG A 25 7.291 -14.429 7.485 1.00 22.43 O ATOM 178 CB ARG A 25 6.135 -13.153 4.609 1.00 72.31 C ATOM 179 CG ARG A 25 7.111 -14.078 3.969 1.00 11.53 C ATOM 180 CD ARG A 25 7.529 -13.589 2.603 1.00 44.24 C ATOM 181 NE ARG A 25 8.290 -14.625 1.892 1.00 25.25 N ATOM 182 CZ ARG A 25 8.171 -14.899 0.586 1.00 22.03 C ATOM 183 NH1 ARG A 25 7.437 -14.142 -0.201 1.00 32.22 N ATOM 184 NH2 ARG A 25 8.790 -15.932 0.066 1.00 4.25 N ATOM 0 H ARG A 25 4.165 -12.255 5.597 1.00 20.04 H new ATOM 0 HA ARG A 25 5.447 -14.737 5.860 1.00 22.25 H new ATOM 0 HB2 ARG A 25 5.293 -12.999 3.935 1.00 72.31 H new ATOM 0 HB3 ARG A 25 6.607 -12.182 4.757 1.00 72.31 H new ATOM 0 HG2 ARG A 25 7.990 -14.177 4.605 1.00 11.53 H new ATOM 0 HG3 ARG A 25 6.668 -15.070 3.881 1.00 11.53 H new ATOM 0 HD2 ARG A 25 6.647 -13.316 2.023 1.00 44.24 H new ATOM 0 HD3 ARG A 25 8.136 -12.689 2.703 1.00 44.24 H new ATOM 0 HE ARG A 25 8.958 -15.176 2.432 1.00 25.25 H new ATOM 0 HH11 ARG A 25 6.948 -13.332 0.181 1.00 32.22 H new ATOM 0 HH12 ARG A 25 7.357 -14.365 -1.193 1.00 32.22 H new ATOM 0 HH21 ARG A 25 9.366 -16.532 0.657 1.00 4.25 H new ATOM 0 HH22 ARG A 25 8.695 -16.135 -0.929 1.00 4.25 H new ATOM 198 N GLU A 26 6.761 -12.231 7.548 1.00 21.23 N ATOM 199 CA GLU A 26 7.687 -11.900 8.639 1.00 62.51 C ATOM 200 C GLU A 26 7.389 -12.715 9.895 1.00 21.24 C ATOM 201 O GLU A 26 8.310 -13.238 10.543 1.00 73.54 O ATOM 202 CB GLU A 26 7.640 -10.413 8.962 1.00 31.11 C ATOM 203 CG GLU A 26 8.085 -9.524 7.821 1.00 13.23 C ATOM 204 CD GLU A 26 8.002 -8.051 8.152 1.00 74.42 C ATOM 205 OE1 GLU A 26 7.523 -7.705 9.255 1.00 2.51 O ATOM 206 OE2 GLU A 26 8.409 -7.235 7.299 1.00 74.12 O ATOM 0 H GLU A 26 6.220 -11.437 7.207 1.00 21.23 H new ATOM 0 HA GLU A 26 8.690 -12.155 8.297 1.00 62.51 H new ATOM 0 HB2 GLU A 26 6.622 -10.144 9.243 1.00 31.11 H new ATOM 0 HB3 GLU A 26 8.272 -10.219 9.829 1.00 31.11 H new ATOM 0 HG2 GLU A 26 9.112 -9.773 7.553 1.00 13.23 H new ATOM 0 HG3 GLU A 26 7.468 -9.729 6.946 1.00 13.23 H new ATOM 213 N ARG A 27 6.114 -12.832 10.243 1.00 15.53 N ATOM 214 CA ARG A 27 5.731 -13.613 11.383 1.00 32.34 C ATOM 215 C ARG A 27 5.997 -15.098 11.177 1.00 71.52 C ATOM 216 O ARG A 27 6.467 -15.746 12.082 1.00 50.41 O ATOM 217 CB ARG A 27 4.294 -13.385 11.770 1.00 45.14 C ATOM 218 CG ARG A 27 3.846 -14.337 12.860 1.00 71.25 C ATOM 219 CD ARG A 27 2.462 -14.057 13.306 1.00 70.05 C ATOM 220 NE ARG A 27 1.840 -15.271 13.873 1.00 40.35 N ATOM 221 CZ ARG A 27 0.601 -15.703 13.607 1.00 35.41 C ATOM 222 NH1 ARG A 27 -0.341 -14.853 13.170 1.00 3.51 N ATOM 223 NH2 ARG A 27 0.295 -16.984 13.827 1.00 13.03 N ATOM 0 H ARG A 27 5.339 -12.393 9.746 1.00 15.53 H new ATOM 0 HA ARG A 27 6.358 -13.271 12.207 1.00 32.34 H new ATOM 0 HB2 ARG A 27 4.168 -12.357 12.111 1.00 45.14 H new ATOM 0 HB3 ARG A 27 3.658 -13.510 10.894 1.00 45.14 H new ATOM 0 HG2 ARG A 27 3.909 -15.362 12.495 1.00 71.25 H new ATOM 0 HG3 ARG A 27 4.524 -14.260 13.710 1.00 71.25 H new ATOM 0 HD2 ARG A 27 2.469 -13.263 14.053 1.00 70.05 H new ATOM 0 HD3 ARG A 27 1.869 -13.698 12.465 1.00 70.05 H new ATOM 0 HE ARG A 27 2.400 -15.826 14.520 1.00 40.35 H new ATOM 0 HH11 ARG A 27 -0.116 -13.867 13.037 1.00 3.51 H new ATOM 0 HH12 ARG A 27 -1.282 -15.193 12.970 1.00 3.51 H new ATOM 0 HH21 ARG A 27 1.002 -17.621 14.194 1.00 13.03 H new ATOM 0 HH22 ARG A 27 -0.646 -17.325 13.628 1.00 13.03 H new ATOM 237 N LEU A 28 5.747 -15.619 9.967 1.00 32.23 N ATOM 238 CA LEU A 28 5.922 -17.064 9.703 1.00 51.53 C ATOM 239 C LEU A 28 7.349 -17.443 9.945 1.00 5.24 C ATOM 240 O LEU A 28 7.634 -18.389 10.645 1.00 73.32 O ATOM 241 CB LEU A 28 5.610 -17.445 8.258 1.00 70.21 C ATOM 242 CG LEU A 28 4.205 -17.288 7.728 1.00 63.33 C ATOM 243 CD1 LEU A 28 4.215 -17.612 6.262 1.00 25.42 C ATOM 244 CD2 LEU A 28 3.242 -18.218 8.421 1.00 45.22 C ATOM 0 H LEU A 28 5.428 -15.076 9.164 1.00 32.23 H new ATOM 0 HA LEU A 28 5.231 -17.583 10.367 1.00 51.53 H new ATOM 0 HB2 LEU A 28 6.267 -16.857 7.617 1.00 70.21 H new ATOM 0 HB3 LEU A 28 5.891 -18.490 8.129 1.00 70.21 H new ATOM 0 HG LEU A 28 3.879 -16.264 7.909 1.00 63.33 H new ATOM 0 HD11 LEU A 28 3.208 -17.505 5.859 1.00 25.42 H new ATOM 0 HD12 LEU A 28 4.888 -16.930 5.743 1.00 25.42 H new ATOM 0 HD13 LEU A 28 4.556 -18.637 6.118 1.00 25.42 H new ATOM 0 HD21 LEU A 28 2.241 -18.076 8.013 1.00 45.22 H new ATOM 0 HD22 LEU A 28 3.555 -19.250 8.263 1.00 45.22 H new ATOM 0 HD23 LEU A 28 3.232 -18.002 9.489 1.00 45.22 H new ATOM 256 N ILE A 29 8.227 -16.670 9.358 1.00 24.34 N ATOM 257 CA ILE A 29 9.654 -16.853 9.466 1.00 44.41 C ATOM 258 C ILE A 29 10.075 -16.998 10.936 1.00 30.32 C ATOM 259 O ILE A 29 10.704 -17.972 11.320 1.00 1.23 O ATOM 260 CB ILE A 29 10.362 -15.651 8.779 1.00 1.13 C ATOM 261 CG1 ILE A 29 10.176 -15.736 7.254 1.00 3.23 C ATOM 262 CG2 ILE A 29 11.818 -15.548 9.158 1.00 14.02 C ATOM 263 CD1 ILE A 29 10.745 -14.566 6.484 1.00 52.31 C ATOM 0 H ILE A 29 7.963 -15.875 8.776 1.00 24.34 H new ATOM 0 HA ILE A 29 9.951 -17.773 8.963 1.00 44.41 H new ATOM 0 HB ILE A 29 9.893 -14.735 9.138 1.00 1.13 H new ATOM 0 HG12 ILE A 29 10.644 -16.653 6.895 1.00 3.23 H new ATOM 0 HG13 ILE A 29 9.111 -15.815 7.035 1.00 3.23 H new ATOM 0 HG21 ILE A 29 12.266 -14.693 8.652 1.00 14.02 H new ATOM 0 HG22 ILE A 29 11.905 -15.418 10.237 1.00 14.02 H new ATOM 0 HG23 ILE A 29 12.337 -16.459 8.860 1.00 14.02 H new ATOM 0 HD11 ILE A 29 10.568 -14.711 5.418 1.00 52.31 H new ATOM 0 HD12 ILE A 29 10.261 -13.646 6.810 1.00 52.31 H new ATOM 0 HD13 ILE A 29 11.817 -14.496 6.668 1.00 52.31 H new ATOM 275 N GLN A 30 9.617 -16.093 11.748 1.00 21.04 N ATOM 276 CA GLN A 30 9.968 -16.081 13.147 1.00 21.31 C ATOM 277 C GLN A 30 9.200 -17.153 13.954 1.00 43.34 C ATOM 278 O GLN A 30 9.759 -17.778 14.848 1.00 53.01 O ATOM 279 CB GLN A 30 9.724 -14.686 13.702 1.00 15.32 C ATOM 280 CG GLN A 30 10.603 -13.624 13.057 1.00 13.35 C ATOM 281 CD GLN A 30 10.224 -12.219 13.465 1.00 42.03 C ATOM 282 OE1 GLN A 30 10.716 -11.688 14.446 1.00 14.13 O ATOM 283 NE2 GLN A 30 9.356 -11.605 12.700 1.00 44.35 N ATOM 0 H GLN A 30 8.990 -15.340 11.465 1.00 21.04 H new ATOM 0 HA GLN A 30 11.024 -16.334 13.244 1.00 21.31 H new ATOM 0 HB2 GLN A 30 8.677 -14.421 13.555 1.00 15.32 H new ATOM 0 HB3 GLN A 30 9.903 -14.693 14.777 1.00 15.32 H new ATOM 0 HG2 GLN A 30 11.643 -13.807 13.327 1.00 13.35 H new ATOM 0 HG3 GLN A 30 10.535 -13.713 11.973 1.00 13.35 H new ATOM 0 HE21 GLN A 30 8.966 -12.082 11.887 1.00 44.35 H new ATOM 0 HE22 GLN A 30 9.070 -10.650 12.917 1.00 44.35 H new ATOM 292 N GLU A 31 7.945 -17.391 13.598 1.00 1.53 N ATOM 293 CA GLU A 31 7.089 -18.310 14.348 1.00 53.22 C ATOM 294 C GLU A 31 7.414 -19.777 14.029 1.00 1.42 C ATOM 295 O GLU A 31 7.287 -20.650 14.890 1.00 74.53 O ATOM 296 CB GLU A 31 5.603 -18.022 14.069 1.00 14.22 C ATOM 297 CG GLU A 31 4.666 -18.608 15.124 1.00 5.23 C ATOM 298 CD GLU A 31 3.219 -18.213 14.941 1.00 41.02 C ATOM 299 OE1 GLU A 31 2.475 -18.923 14.265 1.00 41.52 O ATOM 300 OE2 GLU A 31 2.785 -17.201 15.516 1.00 61.22 O ATOM 0 H GLU A 31 7.493 -16.960 12.792 1.00 1.53 H new ATOM 0 HA GLU A 31 7.287 -18.146 15.407 1.00 53.22 H new ATOM 0 HB2 GLU A 31 5.452 -16.944 14.018 1.00 14.22 H new ATOM 0 HB3 GLU A 31 5.338 -18.428 13.092 1.00 14.22 H new ATOM 0 HG2 GLU A 31 4.742 -19.695 15.100 1.00 5.23 H new ATOM 0 HG3 GLU A 31 4.999 -18.287 16.111 1.00 5.23 H new ATOM 307 N LEU A 32 7.799 -20.039 12.794 1.00 21.24 N ATOM 308 CA LEU A 32 8.173 -21.381 12.347 1.00 14.54 C ATOM 309 C LEU A 32 9.648 -21.656 12.611 1.00 1.14 C ATOM 310 O LEU A 32 10.104 -22.776 12.426 1.00 72.22 O ATOM 311 CB LEU A 32 7.903 -21.571 10.839 1.00 2.45 C ATOM 312 CG LEU A 32 6.452 -21.806 10.350 1.00 53.51 C ATOM 313 CD1 LEU A 32 5.506 -20.658 10.666 1.00 3.13 C ATOM 314 CD2 LEU A 32 6.469 -22.081 8.865 1.00 15.32 C ATOM 0 H LEU A 32 7.864 -19.329 12.065 1.00 21.24 H new ATOM 0 HA LEU A 32 7.560 -22.081 12.915 1.00 14.54 H new ATOM 0 HB2 LEU A 32 8.282 -20.688 10.325 1.00 2.45 H new ATOM 0 HB3 LEU A 32 8.502 -22.417 10.503 1.00 2.45 H new ATOM 0 HG LEU A 32 6.065 -22.666 10.896 1.00 53.51 H new ATOM 0 HD11 LEU A 32 4.509 -20.895 10.293 1.00 3.13 H new ATOM 0 HD12 LEU A 32 5.464 -20.508 11.745 1.00 3.13 H new ATOM 0 HD13 LEU A 32 5.866 -19.748 10.187 1.00 3.13 H new ATOM 0 HD21 LEU A 32 5.451 -22.247 8.514 1.00 15.32 H new ATOM 0 HD22 LEU A 32 6.898 -21.227 8.342 1.00 15.32 H new ATOM 0 HD23 LEU A 32 7.071 -22.968 8.666 1.00 15.32 H new ATOM 326 N ASN A 33 10.382 -20.608 13.028 1.00 54.44 N ATOM 327 CA ASN A 33 11.844 -20.678 13.299 1.00 3.10 C ATOM 328 C ASN A 33 12.611 -20.909 11.976 1.00 41.33 C ATOM 329 O ASN A 33 13.726 -21.422 11.936 1.00 33.30 O ATOM 330 CB ASN A 33 12.168 -21.766 14.372 1.00 21.13 C ATOM 331 CG ASN A 33 13.628 -21.770 14.866 1.00 65.35 C ATOM 332 OD1 ASN A 33 14.261 -20.614 14.918 1.00 32.35 O flip ATOM 333 ND2 ASN A 33 14.165 -22.810 15.231 1.00 32.50 N flip ATOM 0 H ASN A 33 9.984 -19.683 13.189 1.00 54.44 H new ATOM 0 HA ASN A 33 12.176 -19.727 13.716 1.00 3.10 H new ATOM 0 HB2 ASN A 33 11.510 -21.620 15.228 1.00 21.13 H new ATOM 0 HB3 ASN A 33 11.937 -22.747 13.956 1.00 21.13 H new ATOM 0 HD21 ASN A 33 13.655 -23.692 15.181 1.00 32.50 H new ATOM 0 HD22 ASN A 33 15.122 -22.793 15.584 1.00 32.50 H new ATOM 340 N LEU A 34 12.015 -20.435 10.912 1.00 2.21 N ATOM 341 CA LEU A 34 12.570 -20.554 9.589 1.00 51.35 C ATOM 342 C LEU A 34 13.264 -19.268 9.185 1.00 72.12 C ATOM 343 O LEU A 34 13.302 -18.301 9.937 1.00 10.01 O ATOM 344 CB LEU A 34 11.470 -20.897 8.558 1.00 15.34 C ATOM 345 CG LEU A 34 10.919 -22.313 8.573 1.00 12.42 C ATOM 346 CD1 LEU A 34 9.867 -22.447 7.503 1.00 72.21 C ATOM 347 CD2 LEU A 34 12.024 -23.319 8.325 1.00 11.33 C ATOM 0 H LEU A 34 11.119 -19.949 10.941 1.00 2.21 H new ATOM 0 HA LEU A 34 13.300 -21.363 9.605 1.00 51.35 H new ATOM 0 HB2 LEU A 34 10.638 -20.210 8.711 1.00 15.34 H new ATOM 0 HB3 LEU A 34 11.867 -20.700 7.562 1.00 15.34 H new ATOM 0 HG LEU A 34 10.483 -22.511 9.552 1.00 12.42 H new ATOM 0 HD11 LEU A 34 9.468 -23.461 7.510 1.00 72.21 H new ATOM 0 HD12 LEU A 34 9.061 -21.739 7.695 1.00 72.21 H new ATOM 0 HD13 LEU A 34 10.310 -22.237 6.529 1.00 72.21 H new ATOM 0 HD21 LEU A 34 11.609 -24.327 8.340 1.00 11.33 H new ATOM 0 HD22 LEU A 34 12.478 -23.128 7.353 1.00 11.33 H new ATOM 0 HD23 LEU A 34 12.781 -23.227 9.104 1.00 11.33 H new ATOM 359 N THR A 35 13.825 -19.266 8.011 1.00 54.30 N ATOM 360 CA THR A 35 14.426 -18.090 7.466 1.00 3.10 C ATOM 361 C THR A 35 13.660 -17.791 6.172 1.00 31.02 C ATOM 362 O THR A 35 12.850 -18.640 5.738 1.00 63.33 O ATOM 363 CB THR A 35 15.955 -18.300 7.175 1.00 32.22 C ATOM 364 OG1 THR A 35 16.143 -19.265 6.138 1.00 33.13 O ATOM 365 CG2 THR A 35 16.691 -18.765 8.426 1.00 52.12 C ATOM 0 H THR A 35 13.877 -20.084 7.405 1.00 54.30 H new ATOM 0 HA THR A 35 14.368 -17.261 8.171 1.00 3.10 H new ATOM 0 HB THR A 35 16.362 -17.340 6.857 1.00 32.22 H new ATOM 0 HG1 THR A 35 15.385 -19.887 6.128 1.00 33.13 H new ATOM 0 HG21 THR A 35 17.748 -18.903 8.196 1.00 52.12 H new ATOM 0 HG22 THR A 35 16.585 -18.016 9.210 1.00 52.12 H new ATOM 0 HG23 THR A 35 16.268 -19.710 8.767 1.00 52.12 H new ATOM 373 N PRO A 36 13.882 -16.636 5.506 1.00 3.02 N ATOM 374 CA PRO A 36 13.161 -16.299 4.269 1.00 1.31 C ATOM 375 C PRO A 36 13.442 -17.280 3.109 1.00 75.21 C ATOM 376 O PRO A 36 12.776 -17.241 2.090 1.00 54.31 O ATOM 377 CB PRO A 36 13.686 -14.899 3.903 1.00 23.50 C ATOM 378 CG PRO A 36 14.304 -14.368 5.150 1.00 45.34 C ATOM 379 CD PRO A 36 14.813 -15.557 5.903 1.00 32.44 C ATOM 0 HA PRO A 36 12.083 -16.347 4.426 1.00 1.31 H new ATOM 0 HB2 PRO A 36 14.416 -14.952 3.095 1.00 23.50 H new ATOM 0 HB3 PRO A 36 12.877 -14.254 3.560 1.00 23.50 H new ATOM 0 HG2 PRO A 36 15.115 -13.677 4.919 1.00 45.34 H new ATOM 0 HG3 PRO A 36 13.574 -13.816 5.742 1.00 45.34 H new ATOM 0 HD2 PRO A 36 15.842 -15.794 5.633 1.00 32.44 H new ATOM 0 HD3 PRO A 36 14.797 -15.388 6.980 1.00 32.44 H new ATOM 387 N GLN A 37 14.415 -18.160 3.294 1.00 75.53 N ATOM 388 CA GLN A 37 14.824 -19.089 2.250 1.00 32.15 C ATOM 389 C GLN A 37 14.032 -20.386 2.270 1.00 54.23 C ATOM 390 O GLN A 37 13.957 -21.070 1.262 1.00 23.12 O ATOM 391 CB GLN A 37 16.317 -19.372 2.340 1.00 53.21 C ATOM 392 CG GLN A 37 17.188 -18.137 2.202 1.00 40.02 C ATOM 393 CD GLN A 37 18.658 -18.449 2.357 1.00 54.02 C ATOM 394 OE1 GLN A 37 19.195 -18.414 3.447 1.00 72.44 O ATOM 395 NE2 GLN A 37 19.315 -18.755 1.269 1.00 74.35 N ATOM 0 H GLN A 37 14.940 -18.251 4.164 1.00 75.53 H new ATOM 0 HA GLN A 37 14.608 -18.605 1.298 1.00 32.15 H new ATOM 0 HB2 GLN A 37 16.529 -19.849 3.297 1.00 53.21 H new ATOM 0 HB3 GLN A 37 16.589 -20.085 1.562 1.00 53.21 H new ATOM 0 HG2 GLN A 37 17.017 -17.682 1.226 1.00 40.02 H new ATOM 0 HG3 GLN A 37 16.894 -17.403 2.952 1.00 40.02 H new ATOM 0 HE21 GLN A 37 18.833 -18.775 0.370 1.00 74.35 H new ATOM 0 HE22 GLN A 37 20.310 -18.974 1.319 1.00 74.35 H new ATOM 404 N GLN A 38 13.446 -20.744 3.401 1.00 52.20 N ATOM 405 CA GLN A 38 12.649 -21.972 3.417 1.00 75.50 C ATOM 406 C GLN A 38 11.233 -21.625 3.115 1.00 71.52 C ATOM 407 O GLN A 38 10.439 -22.459 2.676 1.00 74.54 O ATOM 408 CB GLN A 38 12.713 -22.762 4.737 1.00 43.31 C ATOM 409 CG GLN A 38 14.085 -23.309 5.110 1.00 74.24 C ATOM 410 CD GLN A 38 15.001 -22.247 5.635 1.00 13.15 C ATOM 411 OE1 GLN A 38 14.551 -21.299 6.261 1.00 13.43 O ATOM 412 NE2 GLN A 38 16.275 -22.369 5.371 1.00 72.33 N ATOM 0 H GLN A 38 13.498 -20.235 4.283 1.00 52.20 H new ATOM 0 HA GLN A 38 13.078 -22.629 2.660 1.00 75.50 H new ATOM 0 HB2 GLN A 38 12.368 -22.116 5.544 1.00 43.31 H new ATOM 0 HB3 GLN A 38 12.014 -23.596 4.675 1.00 43.31 H new ATOM 0 HG2 GLN A 38 13.969 -24.089 5.862 1.00 74.24 H new ATOM 0 HG3 GLN A 38 14.538 -23.775 4.234 1.00 74.24 H new ATOM 0 HE21 GLN A 38 16.612 -23.176 4.845 1.00 72.33 H new ATOM 0 HE22 GLN A 38 16.932 -21.658 5.691 1.00 72.33 H new ATOM 421 N LEU A 39 10.920 -20.385 3.333 1.00 3.02 N ATOM 422 CA LEU A 39 9.618 -19.905 3.105 1.00 61.43 C ATOM 423 C LEU A 39 9.512 -19.174 1.781 1.00 23.21 C ATOM 424 O LEU A 39 9.602 -17.944 1.704 1.00 13.15 O ATOM 425 CB LEU A 39 9.107 -19.085 4.282 1.00 22.44 C ATOM 426 CG LEU A 39 8.728 -19.868 5.518 1.00 32.44 C ATOM 427 CD1 LEU A 39 8.336 -18.930 6.628 1.00 75.54 C ATOM 428 CD2 LEU A 39 7.595 -20.825 5.213 1.00 61.33 C ATOM 0 H LEU A 39 11.575 -19.683 3.677 1.00 3.02 H new ATOM 0 HA LEU A 39 8.957 -20.768 3.027 1.00 61.43 H new ATOM 0 HB2 LEU A 39 9.874 -18.361 4.556 1.00 22.44 H new ATOM 0 HB3 LEU A 39 8.236 -18.518 3.954 1.00 22.44 H new ATOM 0 HG LEU A 39 9.593 -20.449 5.839 1.00 32.44 H new ATOM 0 HD11 LEU A 39 8.065 -19.506 7.513 1.00 75.54 H new ATOM 0 HD12 LEU A 39 9.175 -18.275 6.864 1.00 75.54 H new ATOM 0 HD13 LEU A 39 7.484 -18.328 6.312 1.00 75.54 H new ATOM 0 HD21 LEU A 39 7.335 -21.380 6.114 1.00 61.33 H new ATOM 0 HD22 LEU A 39 6.726 -20.263 4.870 1.00 61.33 H new ATOM 0 HD23 LEU A 39 7.907 -21.522 4.435 1.00 61.33 H new ATOM 440 N HIS A 40 9.441 -19.971 0.752 1.00 44.21 N ATOM 441 CA HIS A 40 9.212 -19.557 -0.617 1.00 73.40 C ATOM 442 C HIS A 40 7.685 -19.472 -0.775 1.00 41.22 C ATOM 443 O HIS A 40 6.962 -19.971 0.102 1.00 4.31 O ATOM 444 CB HIS A 40 9.797 -20.641 -1.551 1.00 13.53 C ATOM 445 CG HIS A 40 10.004 -20.244 -2.990 1.00 72.30 C ATOM 446 ND1 HIS A 40 9.122 -20.514 -4.013 1.00 23.12 N ATOM 447 CD2 HIS A 40 11.074 -19.656 -3.581 1.00 2.12 C ATOM 448 CE1 HIS A 40 9.660 -20.116 -5.150 1.00 71.21 C ATOM 449 NE2 HIS A 40 10.852 -19.579 -4.953 1.00 35.14 N ATOM 0 H HIS A 40 9.546 -20.981 0.843 1.00 44.21 H new ATOM 0 HA HIS A 40 9.680 -18.603 -0.861 1.00 73.40 H new ATOM 0 HB2 HIS A 40 10.756 -20.962 -1.144 1.00 13.53 H new ATOM 0 HB3 HIS A 40 9.135 -21.506 -1.527 1.00 13.53 H new ATOM 0 HD1 HIS A 40 8.205 -20.949 -3.909 1.00 23.12 H new ATOM 0 HD2 HIS A 40 11.957 -19.304 -3.069 1.00 2.12 H new ATOM 0 HE1 HIS A 40 9.188 -20.216 -6.116 1.00 71.21 H new ATOM 457 N GLU A 41 7.192 -18.845 -1.832 1.00 75.02 N ATOM 458 CA GLU A 41 5.737 -18.663 -2.024 1.00 63.51 C ATOM 459 C GLU A 41 5.007 -20.036 -1.971 1.00 51.33 C ATOM 460 O GLU A 41 3.991 -20.216 -1.273 1.00 23.13 O ATOM 461 CB GLU A 41 5.429 -18.008 -3.392 1.00 23.21 C ATOM 462 CG GLU A 41 6.395 -16.919 -3.869 1.00 62.31 C ATOM 463 CD GLU A 41 6.673 -15.851 -2.855 1.00 23.14 C ATOM 464 OE1 GLU A 41 5.774 -15.052 -2.522 1.00 74.22 O ATOM 465 OE2 GLU A 41 7.810 -15.811 -2.347 1.00 15.34 O ATOM 0 H GLU A 41 7.766 -18.449 -2.576 1.00 75.02 H new ATOM 0 HA GLU A 41 5.385 -18.014 -1.222 1.00 63.51 H new ATOM 0 HB2 GLU A 41 5.403 -18.794 -4.147 1.00 23.21 H new ATOM 0 HB3 GLU A 41 4.428 -17.578 -3.345 1.00 23.21 H new ATOM 0 HG2 GLU A 41 7.338 -17.386 -4.155 1.00 62.31 H new ATOM 0 HG3 GLU A 41 5.985 -16.454 -4.766 1.00 62.31 H new ATOM 472 N GLU A 42 5.576 -20.988 -2.675 1.00 32.44 N ATOM 473 CA GLU A 42 5.047 -22.343 -2.847 1.00 10.22 C ATOM 474 C GLU A 42 5.348 -23.270 -1.659 1.00 22.40 C ATOM 475 O GLU A 42 5.057 -24.468 -1.718 1.00 43.01 O ATOM 476 CB GLU A 42 5.635 -22.974 -4.139 1.00 51.31 C ATOM 477 CG GLU A 42 5.173 -22.360 -5.462 1.00 72.53 C ATOM 478 CD GLU A 42 5.583 -20.927 -5.602 1.00 2.53 C ATOM 479 OE1 GLU A 42 6.694 -20.594 -5.133 1.00 35.34 O ATOM 480 OE2 GLU A 42 4.789 -20.127 -6.091 1.00 2.32 O ATOM 0 H GLU A 42 6.457 -20.844 -3.168 1.00 32.44 H new ATOM 0 HA GLU A 42 3.964 -22.245 -2.915 1.00 10.22 H new ATOM 0 HB2 GLU A 42 6.722 -22.904 -4.090 1.00 51.31 H new ATOM 0 HB3 GLU A 42 5.383 -24.035 -4.147 1.00 51.31 H new ATOM 0 HG2 GLU A 42 5.586 -22.936 -6.290 1.00 72.53 H new ATOM 0 HG3 GLU A 42 4.088 -22.433 -5.534 1.00 72.53 H new ATOM 487 N SER A 43 5.912 -22.745 -0.598 1.00 32.34 N ATOM 488 CA SER A 43 6.190 -23.563 0.554 1.00 41.34 C ATOM 489 C SER A 43 4.906 -23.869 1.323 1.00 22.31 C ATOM 490 O SER A 43 4.195 -22.952 1.768 1.00 64.11 O ATOM 491 CB SER A 43 7.218 -22.893 1.466 1.00 64.24 C ATOM 492 OG SER A 43 8.456 -22.702 0.790 1.00 31.41 O ATOM 0 H SER A 43 6.184 -21.766 -0.510 1.00 32.34 H new ATOM 0 HA SER A 43 6.612 -24.505 0.204 1.00 41.34 H new ATOM 0 HB2 SER A 43 6.834 -21.931 1.807 1.00 64.24 H new ATOM 0 HB3 SER A 43 7.376 -23.506 2.353 1.00 64.24 H new ATOM 0 HG SER A 43 9.192 -22.755 1.435 1.00 31.41 H new ATOM 498 N ASN A 44 4.580 -25.155 1.412 1.00 13.33 N ATOM 499 CA ASN A 44 3.453 -25.612 2.211 1.00 51.42 C ATOM 500 C ASN A 44 3.786 -25.311 3.653 1.00 0.34 C ATOM 501 O ASN A 44 4.767 -25.824 4.175 1.00 33.33 O ATOM 502 CB ASN A 44 3.228 -27.134 2.031 1.00 30.04 C ATOM 503 CG ASN A 44 1.980 -27.676 2.754 1.00 1.42 C ATOM 504 OD1 ASN A 44 1.528 -27.142 3.768 1.00 20.03 O ATOM 505 ND2 ASN A 44 1.456 -28.771 2.266 1.00 32.14 N ATOM 0 H ASN A 44 5.086 -25.902 0.936 1.00 13.33 H new ATOM 0 HA ASN A 44 2.539 -25.107 1.899 1.00 51.42 H new ATOM 0 HB2 ASN A 44 3.142 -27.354 0.967 1.00 30.04 H new ATOM 0 HB3 ASN A 44 4.106 -27.666 2.397 1.00 30.04 H new ATOM 0 HD21 ASN A 44 0.655 -29.202 2.727 1.00 32.14 H new ATOM 0 HD22 ASN A 44 1.849 -29.194 1.425 1.00 32.14 H new ATOM 512 N LEU A 45 2.974 -24.507 4.297 1.00 5.12 N ATOM 513 CA LEU A 45 3.285 -24.049 5.633 1.00 5.32 C ATOM 514 C LEU A 45 3.141 -25.147 6.628 1.00 60.32 C ATOM 515 O LEU A 45 3.945 -25.273 7.534 1.00 1.31 O ATOM 516 CB LEU A 45 2.433 -22.859 6.024 1.00 65.13 C ATOM 517 CG LEU A 45 2.579 -21.630 5.146 1.00 42.33 C ATOM 518 CD1 LEU A 45 1.738 -20.494 5.694 1.00 53.15 C ATOM 519 CD2 LEU A 45 4.039 -21.216 5.038 1.00 53.13 C ATOM 0 H LEU A 45 2.094 -24.156 3.920 1.00 5.12 H new ATOM 0 HA LEU A 45 4.327 -23.729 5.630 1.00 5.32 H new ATOM 0 HB2 LEU A 45 1.387 -23.166 6.017 1.00 65.13 H new ATOM 0 HB3 LEU A 45 2.677 -22.582 7.050 1.00 65.13 H new ATOM 0 HG LEU A 45 2.223 -21.874 4.145 1.00 42.33 H new ATOM 0 HD11 LEU A 45 1.851 -19.617 5.056 1.00 53.15 H new ATOM 0 HD12 LEU A 45 0.691 -20.795 5.716 1.00 53.15 H new ATOM 0 HD13 LEU A 45 2.067 -20.252 6.704 1.00 53.15 H new ATOM 0 HD21 LEU A 45 4.121 -20.333 4.404 1.00 53.13 H new ATOM 0 HD22 LEU A 45 4.427 -20.987 6.031 1.00 53.13 H new ATOM 0 HD23 LEU A 45 4.617 -22.031 4.602 1.00 53.13 H new ATOM 531 N ILE A 46 2.147 -25.967 6.425 1.00 24.02 N ATOM 532 CA ILE A 46 1.881 -27.100 7.302 1.00 4.12 C ATOM 533 C ILE A 46 3.040 -28.069 7.252 1.00 61.33 C ATOM 534 O ILE A 46 3.480 -28.601 8.266 1.00 2.31 O ATOM 535 CB ILE A 46 0.572 -27.817 6.887 1.00 3.13 C ATOM 536 CG1 ILE A 46 -0.625 -26.883 7.135 1.00 14.31 C ATOM 537 CG2 ILE A 46 0.418 -29.181 7.576 1.00 31.43 C ATOM 538 CD1 ILE A 46 -1.985 -27.498 6.844 1.00 44.31 C ATOM 0 H ILE A 46 1.491 -25.878 5.649 1.00 24.02 H new ATOM 0 HA ILE A 46 1.763 -26.732 8.321 1.00 4.12 H new ATOM 0 HB ILE A 46 0.613 -28.038 5.820 1.00 3.13 H new ATOM 0 HG12 ILE A 46 -0.604 -26.557 8.175 1.00 14.31 H new ATOM 0 HG13 ILE A 46 -0.506 -25.991 6.519 1.00 14.31 H new ATOM 0 HG21 ILE A 46 -0.514 -29.647 7.255 1.00 31.43 H new ATOM 0 HG22 ILE A 46 1.257 -29.822 7.305 1.00 31.43 H new ATOM 0 HG23 ILE A 46 0.401 -29.043 8.657 1.00 31.43 H new ATOM 0 HD11 ILE A 46 -2.766 -26.766 7.048 1.00 44.31 H new ATOM 0 HD12 ILE A 46 -2.032 -27.798 5.797 1.00 44.31 H new ATOM 0 HD13 ILE A 46 -2.132 -28.372 7.478 1.00 44.31 H new ATOM 550 N GLN A 47 3.577 -28.202 6.077 1.00 74.33 N ATOM 551 CA GLN A 47 4.635 -29.129 5.814 1.00 11.54 C ATOM 552 C GLN A 47 5.990 -28.515 6.222 1.00 35.20 C ATOM 553 O GLN A 47 7.012 -29.189 6.238 1.00 11.13 O ATOM 554 CB GLN A 47 4.606 -29.455 4.337 1.00 52.01 C ATOM 555 CG GLN A 47 5.229 -30.761 3.975 1.00 31.55 C ATOM 556 CD GLN A 47 5.141 -31.053 2.490 1.00 61.41 C ATOM 557 OE1 GLN A 47 4.206 -30.629 1.809 1.00 44.24 O ATOM 558 NE2 GLN A 47 6.106 -31.768 1.972 1.00 72.32 N ATOM 0 H GLN A 47 3.288 -27.661 5.262 1.00 74.33 H new ATOM 0 HA GLN A 47 4.503 -30.042 6.395 1.00 11.54 H new ATOM 0 HB2 GLN A 47 3.570 -29.456 3.999 1.00 52.01 H new ATOM 0 HB3 GLN A 47 5.117 -28.661 3.793 1.00 52.01 H new ATOM 0 HG2 GLN A 47 6.275 -30.758 4.280 1.00 31.55 H new ATOM 0 HG3 GLN A 47 4.738 -31.561 4.529 1.00 31.55 H new ATOM 0 HE21 GLN A 47 6.866 -32.104 2.564 1.00 72.32 H new ATOM 0 HE22 GLN A 47 6.099 -31.990 0.976 1.00 72.32 H new ATOM 567 N ALA A 48 5.970 -27.227 6.521 1.00 54.21 N ATOM 568 CA ALA A 48 7.148 -26.505 6.950 1.00 41.30 C ATOM 569 C ALA A 48 7.193 -26.433 8.478 1.00 22.41 C ATOM 570 O ALA A 48 8.242 -26.601 9.087 1.00 13.31 O ATOM 571 CB ALA A 48 7.157 -25.101 6.341 1.00 44.32 C ATOM 0 H ALA A 48 5.129 -26.652 6.471 1.00 54.21 H new ATOM 0 HA ALA A 48 8.035 -27.035 6.604 1.00 41.30 H new ATOM 0 HB1 ALA A 48 8.048 -24.567 6.671 1.00 44.32 H new ATOM 0 HB2 ALA A 48 7.161 -25.176 5.254 1.00 44.32 H new ATOM 0 HB3 ALA A 48 6.269 -24.559 6.664 1.00 44.32 H new ATOM 577 N GLY A 49 6.045 -26.183 9.081 1.00 42.21 N ATOM 578 CA GLY A 49 5.959 -26.117 10.519 1.00 42.40 C ATOM 579 C GLY A 49 4.774 -25.297 10.973 1.00 12.11 C ATOM 580 O GLY A 49 4.919 -24.340 11.739 1.00 4.32 O ATOM 0 H GLY A 49 5.163 -26.023 8.594 1.00 42.21 H new ATOM 0 HA2 GLY A 49 5.880 -27.125 10.925 1.00 42.40 H new ATOM 0 HA3 GLY A 49 6.876 -25.683 10.918 1.00 42.40 H new ATOM 584 N LEU A 50 3.601 -25.666 10.514 1.00 51.31 N ATOM 585 CA LEU A 50 2.400 -24.939 10.852 1.00 61.52 C ATOM 586 C LEU A 50 1.344 -25.935 11.262 1.00 74.42 C ATOM 587 O LEU A 50 0.981 -26.811 10.479 1.00 62.43 O ATOM 588 CB LEU A 50 1.885 -24.157 9.633 1.00 55.40 C ATOM 589 CG LEU A 50 0.952 -22.983 9.909 1.00 21.44 C ATOM 590 CD1 LEU A 50 1.759 -21.744 10.242 1.00 44.32 C ATOM 591 CD2 LEU A 50 0.035 -22.726 8.732 1.00 71.34 C ATOM 0 H LEU A 50 3.453 -26.469 9.903 1.00 51.31 H new ATOM 0 HA LEU A 50 2.617 -24.239 11.659 1.00 61.52 H new ATOM 0 HB2 LEU A 50 2.747 -23.782 9.082 1.00 55.40 H new ATOM 0 HB3 LEU A 50 1.366 -24.856 8.977 1.00 55.40 H new ATOM 0 HG LEU A 50 0.327 -23.235 10.766 1.00 21.44 H new ATOM 0 HD11 LEU A 50 1.083 -20.911 10.437 1.00 44.32 H new ATOM 0 HD12 LEU A 50 2.367 -21.933 11.126 1.00 44.32 H new ATOM 0 HD13 LEU A 50 2.408 -21.496 9.402 1.00 44.32 H new ATOM 0 HD21 LEU A 50 -0.619 -21.884 8.957 1.00 71.34 H new ATOM 0 HD22 LEU A 50 0.632 -22.496 7.849 1.00 71.34 H new ATOM 0 HD23 LEU A 50 -0.569 -23.613 8.541 1.00 71.34 H new ATOM 603 N ASP A 51 0.901 -25.827 12.483 1.00 23.50 N ATOM 604 CA ASP A 51 -0.183 -26.628 12.999 1.00 62.32 C ATOM 605 C ASP A 51 -1.484 -25.978 12.574 1.00 33.12 C ATOM 606 O ASP A 51 -1.475 -24.912 11.925 1.00 21.11 O ATOM 607 CB ASP A 51 -0.091 -26.708 14.529 1.00 74.04 C ATOM 608 CG ASP A 51 0.046 -25.341 15.154 1.00 31.14 C ATOM 609 OD1 ASP A 51 1.193 -24.844 15.244 1.00 4.40 O ATOM 610 OD2 ASP A 51 -0.962 -24.726 15.506 1.00 22.40 O ATOM 0 H ASP A 51 1.286 -25.171 13.162 1.00 23.50 H new ATOM 0 HA ASP A 51 -0.131 -27.644 12.608 1.00 62.32 H new ATOM 0 HB2 ASP A 51 -0.981 -27.200 14.922 1.00 74.04 H new ATOM 0 HB3 ASP A 51 0.763 -27.324 14.810 1.00 74.04 H new ATOM 667 N ILE A 53 -3.726 -24.796 14.530 1.00 72.50 N ATOM 668 CA ILE A 53 -4.081 -23.755 15.432 1.00 72.34 C ATOM 669 C ILE A 53 -3.465 -22.493 14.886 1.00 25.04 C ATOM 670 O ILE A 53 -4.112 -21.441 14.835 1.00 75.44 O ATOM 671 CB ILE A 53 -3.618 -24.021 16.872 1.00 72.04 C ATOM 672 CG1 ILE A 53 -4.287 -25.307 17.405 1.00 32.21 C ATOM 673 CG2 ILE A 53 -3.934 -22.813 17.774 1.00 53.14 C ATOM 674 CD1 ILE A 53 -5.814 -25.287 17.387 1.00 73.15 C ATOM 0 HA ILE A 53 -5.166 -23.679 15.499 1.00 72.34 H new ATOM 0 HB ILE A 53 -2.538 -24.164 16.880 1.00 72.04 H new ATOM 0 HG12 ILE A 53 -3.941 -26.153 16.811 1.00 32.21 H new ATOM 0 HG13 ILE A 53 -3.952 -25.478 18.428 1.00 32.21 H new ATOM 0 HG21 ILE A 53 -3.599 -23.020 18.790 1.00 53.14 H new ATOM 0 HG22 ILE A 53 -3.418 -21.931 17.395 1.00 53.14 H new ATOM 0 HG23 ILE A 53 -5.009 -22.632 17.776 1.00 53.14 H new ATOM 0 HD11 ILE A 53 -6.195 -26.230 17.779 1.00 73.15 H new ATOM 0 HD12 ILE A 53 -6.174 -24.465 18.006 1.00 73.15 H new ATOM 0 HD13 ILE A 53 -6.164 -25.151 16.364 1.00 73.15 H new ATOM 686 N ARG A 54 -2.211 -22.621 14.437 1.00 23.42 N ATOM 687 CA ARG A 54 -1.527 -21.583 13.724 1.00 11.21 C ATOM 688 C ARG A 54 -2.301 -21.157 12.512 1.00 13.22 C ATOM 689 O ARG A 54 -2.517 -19.968 12.308 1.00 0.21 O ATOM 690 CB ARG A 54 -0.173 -22.024 13.301 1.00 11.31 C ATOM 691 CG ARG A 54 0.864 -21.876 14.356 1.00 54.51 C ATOM 692 CD ARG A 54 2.169 -22.172 13.746 1.00 54.40 C ATOM 693 NE ARG A 54 3.340 -21.871 14.584 1.00 50.41 N ATOM 694 CZ ARG A 54 4.135 -22.810 15.134 1.00 41.04 C ATOM 695 NH1 ARG A 54 3.648 -24.020 15.411 1.00 62.41 N ATOM 696 NH2 ARG A 54 5.386 -22.510 15.493 1.00 0.33 N ATOM 0 H ARG A 54 -1.653 -23.465 14.570 1.00 23.42 H new ATOM 0 HA ARG A 54 -1.433 -20.738 14.406 1.00 11.21 H new ATOM 0 HB2 ARG A 54 -0.221 -23.069 12.996 1.00 11.31 H new ATOM 0 HB3 ARG A 54 0.129 -21.450 12.425 1.00 11.31 H new ATOM 0 HG2 ARG A 54 0.853 -20.865 14.764 1.00 54.51 H new ATOM 0 HG3 ARG A 54 0.666 -22.556 15.185 1.00 54.51 H new ATOM 0 HD2 ARG A 54 2.196 -23.229 13.480 1.00 54.40 H new ATOM 0 HD3 ARG A 54 2.253 -21.608 12.817 1.00 54.40 H new ATOM 0 HE ARG A 54 3.564 -20.892 14.760 1.00 50.41 H new ATOM 0 HH11 ARG A 54 2.672 -24.236 15.207 1.00 62.41 H new ATOM 0 HH12 ARG A 54 4.251 -24.729 15.827 1.00 62.41 H new ATOM 0 HH21 ARG A 54 5.745 -21.566 15.351 1.00 0.33 H new ATOM 0 HH22 ARG A 54 5.983 -23.225 15.909 1.00 0.33 H new ATOM 710 N LEU A 55 -2.751 -22.136 11.740 1.00 4.34 N ATOM 711 CA LEU A 55 -3.523 -21.906 10.517 1.00 14.43 C ATOM 712 C LEU A 55 -4.758 -21.052 10.839 1.00 12.53 C ATOM 713 O LEU A 55 -4.970 -20.007 10.229 1.00 33.14 O ATOM 714 CB LEU A 55 -3.948 -23.269 9.929 1.00 13.34 C ATOM 715 CG LEU A 55 -4.447 -23.350 8.453 1.00 33.12 C ATOM 716 CD1 LEU A 55 -5.599 -22.423 8.124 1.00 63.54 C ATOM 717 CD2 LEU A 55 -3.323 -23.196 7.481 1.00 20.05 C ATOM 0 H LEU A 55 -2.592 -23.123 11.943 1.00 4.34 H new ATOM 0 HA LEU A 55 -2.915 -21.373 9.786 1.00 14.43 H new ATOM 0 HB2 LEU A 55 -3.097 -23.944 10.023 1.00 13.34 H new ATOM 0 HB3 LEU A 55 -4.741 -23.665 10.563 1.00 13.34 H new ATOM 0 HG LEU A 55 -4.856 -24.355 8.350 1.00 33.12 H new ATOM 0 HD11 LEU A 55 -5.879 -22.547 7.078 1.00 63.54 H new ATOM 0 HD12 LEU A 55 -6.452 -22.663 8.759 1.00 63.54 H new ATOM 0 HD13 LEU A 55 -5.296 -21.390 8.298 1.00 63.54 H new ATOM 0 HD21 LEU A 55 -3.710 -23.258 6.464 1.00 20.05 H new ATOM 0 HD22 LEU A 55 -2.844 -22.228 7.629 1.00 20.05 H new ATOM 0 HD23 LEU A 55 -2.593 -23.990 7.640 1.00 20.05 H new ATOM 729 N MET A 56 -5.561 -21.478 11.800 1.00 45.31 N ATOM 730 CA MET A 56 -6.758 -20.722 12.132 1.00 40.02 C ATOM 731 C MET A 56 -6.433 -19.360 12.722 1.00 2.13 C ATOM 732 O MET A 56 -7.151 -18.387 12.471 1.00 11.21 O ATOM 733 CB MET A 56 -7.657 -21.434 13.084 1.00 54.12 C ATOM 734 CG MET A 56 -8.917 -20.622 13.384 1.00 13.21 C ATOM 735 SD MET A 56 -9.634 -21.022 14.960 1.00 25.25 S ATOM 736 CE MET A 56 -8.226 -20.590 15.955 1.00 34.34 C ATOM 0 H MET A 56 -5.412 -22.322 12.353 1.00 45.31 H new ATOM 0 HA MET A 56 -7.275 -20.601 11.180 1.00 40.02 H new ATOM 0 HB2 MET A 56 -7.938 -22.401 12.666 1.00 54.12 H new ATOM 0 HB3 MET A 56 -7.121 -21.631 14.012 1.00 54.12 H new ATOM 0 HG2 MET A 56 -8.674 -19.560 13.360 1.00 13.21 H new ATOM 0 HG3 MET A 56 -9.653 -20.799 12.600 1.00 13.21 H new ATOM 0 HE1 MET A 56 -8.564 -20.216 16.921 1.00 34.34 H new ATOM 0 HE2 MET A 56 -7.602 -21.471 16.105 1.00 34.34 H new ATOM 0 HE3 MET A 56 -7.647 -19.817 15.450 1.00 34.34 H new ATOM 746 N ARG A 57 -5.380 -19.264 13.525 1.00 22.22 N ATOM 747 CA ARG A 57 -5.035 -17.977 14.030 1.00 52.23 C ATOM 748 C ARG A 57 -4.564 -17.032 12.917 1.00 2.11 C ATOM 749 O ARG A 57 -4.543 -15.834 13.067 1.00 54.44 O ATOM 750 CB ARG A 57 -4.149 -17.979 15.236 1.00 14.43 C ATOM 751 CG ARG A 57 -2.883 -18.702 15.167 1.00 35.14 C ATOM 752 CD ARG A 57 -2.329 -18.666 16.534 1.00 61.41 C ATOM 753 NE ARG A 57 -1.155 -19.538 16.714 1.00 34.21 N ATOM 754 CZ ARG A 57 0.122 -19.119 16.797 1.00 43.12 C ATOM 755 NH1 ARG A 57 0.416 -17.822 16.705 1.00 52.11 N ATOM 756 NH2 ARG A 57 1.101 -20.002 16.991 1.00 63.00 N ATOM 0 H ARG A 57 -4.783 -20.037 13.821 1.00 22.22 H new ATOM 0 HA ARG A 57 -5.967 -17.567 14.419 1.00 52.23 H new ATOM 0 HB2 ARG A 57 -3.926 -16.942 15.485 1.00 14.43 H new ATOM 0 HB3 ARG A 57 -4.721 -18.390 16.067 1.00 14.43 H new ATOM 0 HG2 ARG A 57 -3.036 -19.728 14.833 1.00 35.14 H new ATOM 0 HG3 ARG A 57 -2.203 -18.233 14.456 1.00 35.14 H new ATOM 0 HD2 ARG A 57 -2.051 -17.641 16.778 1.00 61.41 H new ATOM 0 HD3 ARG A 57 -3.104 -18.963 17.240 1.00 61.41 H new ATOM 0 HE ARG A 57 -1.324 -20.542 16.781 1.00 34.21 H new ATOM 0 HH11 ARG A 57 -0.329 -17.138 16.571 1.00 52.11 H new ATOM 0 HH12 ARG A 57 1.386 -17.513 16.769 1.00 52.11 H new ATOM 0 HH21 ARG A 57 0.883 -20.995 17.077 1.00 63.00 H new ATOM 0 HH22 ARG A 57 2.068 -19.685 17.054 1.00 63.00 H new ATOM 770 N TRP A 58 -4.122 -17.616 11.816 1.00 41.32 N ATOM 771 CA TRP A 58 -3.868 -16.859 10.602 1.00 11.31 C ATOM 772 C TRP A 58 -5.191 -16.448 9.965 1.00 42.12 C ATOM 773 O TRP A 58 -5.357 -15.322 9.526 1.00 4.54 O ATOM 774 CB TRP A 58 -3.020 -17.655 9.600 1.00 4.30 C ATOM 775 CG TRP A 58 -1.571 -17.640 9.913 1.00 13.13 C ATOM 776 CD1 TRP A 58 -0.768 -18.690 10.239 1.00 65.43 C ATOM 777 CD2 TRP A 58 -0.754 -16.487 9.928 1.00 33.13 C ATOM 778 NE1 TRP A 58 0.509 -18.244 10.464 1.00 54.51 N ATOM 779 CE2 TRP A 58 0.538 -16.889 10.267 1.00 54.11 C ATOM 780 CE3 TRP A 58 -1.000 -15.146 9.679 1.00 64.54 C ATOM 781 CZ2 TRP A 58 1.584 -15.983 10.363 1.00 23.54 C ATOM 782 CZ3 TRP A 58 0.029 -14.257 9.774 1.00 2.33 C ATOM 783 CH2 TRP A 58 1.300 -14.673 10.109 1.00 74.51 C ATOM 0 H TRP A 58 -3.931 -18.615 11.738 1.00 41.32 H new ATOM 0 HA TRP A 58 -3.301 -15.969 10.874 1.00 11.31 H new ATOM 0 HB2 TRP A 58 -3.369 -18.687 9.579 1.00 4.30 H new ATOM 0 HB3 TRP A 58 -3.173 -17.247 8.601 1.00 4.30 H new ATOM 0 HD1 TRP A 58 -1.088 -19.719 10.310 1.00 65.43 H new ATOM 0 HE1 TRP A 58 1.304 -18.824 10.733 1.00 54.51 H new ATOM 0 HE3 TRP A 58 -1.992 -14.811 9.414 1.00 64.54 H new ATOM 0 HZ2 TRP A 58 2.581 -16.301 10.628 1.00 23.54 H new ATOM 0 HZ3 TRP A 58 -0.154 -13.210 9.584 1.00 2.33 H new ATOM 0 HH2 TRP A 58 2.092 -13.942 10.172 1.00 74.51 H new ATOM 794 N LEU A 59 -6.135 -17.365 9.964 1.00 3.55 N ATOM 795 CA LEU A 59 -7.461 -17.142 9.408 1.00 71.01 C ATOM 796 C LEU A 59 -8.175 -15.980 10.116 1.00 40.00 C ATOM 797 O LEU A 59 -8.779 -15.113 9.455 1.00 60.24 O ATOM 798 CB LEU A 59 -8.285 -18.462 9.461 1.00 61.21 C ATOM 799 CG LEU A 59 -9.686 -18.500 8.791 1.00 71.51 C ATOM 800 CD1 LEU A 59 -10.741 -17.770 9.605 1.00 64.22 C ATOM 801 CD2 LEU A 59 -9.623 -17.951 7.371 1.00 2.24 C ATOM 0 H LEU A 59 -6.006 -18.299 10.353 1.00 3.55 H new ATOM 0 HA LEU A 59 -7.363 -16.850 8.362 1.00 71.01 H new ATOM 0 HB2 LEU A 59 -7.681 -19.246 9.005 1.00 61.21 H new ATOM 0 HB3 LEU A 59 -8.414 -18.728 10.510 1.00 61.21 H new ATOM 0 HG LEU A 59 -9.987 -19.547 8.749 1.00 71.51 H new ATOM 0 HD11 LEU A 59 -11.701 -17.827 9.092 1.00 64.22 H new ATOM 0 HD12 LEU A 59 -10.827 -18.233 10.588 1.00 64.22 H new ATOM 0 HD13 LEU A 59 -10.453 -16.725 9.720 1.00 64.22 H new ATOM 0 HD21 LEU A 59 -10.616 -17.988 6.922 1.00 2.24 H new ATOM 0 HD22 LEU A 59 -9.274 -16.919 7.395 1.00 2.24 H new ATOM 0 HD23 LEU A 59 -8.934 -18.553 6.778 1.00 2.24 H new ATOM 813 N HIS A 60 -8.106 -15.937 11.439 1.00 53.22 N ATOM 814 CA HIS A 60 -8.762 -14.859 12.164 1.00 65.21 C ATOM 815 C HIS A 60 -7.972 -13.546 12.028 1.00 61.41 C ATOM 816 O HIS A 60 -8.513 -12.457 12.168 1.00 1.40 O ATOM 817 CB HIS A 60 -9.134 -15.228 13.642 1.00 22.42 C ATOM 818 CG HIS A 60 -8.017 -15.420 14.639 1.00 13.41 C ATOM 819 ND1 HIS A 60 -6.802 -14.858 14.714 1.00 5.51 N flip ATOM 820 CD2 HIS A 60 -8.138 -16.204 15.769 1.00 50.24 C flip ATOM 821 CE1 HIS A 60 -6.166 -15.279 15.882 1.00 45.01 C flip ATOM 822 NE2 HIS A 60 -7.017 -16.085 16.478 1.00 4.34 N flip ATOM 0 H HIS A 60 -7.616 -16.617 12.020 1.00 53.22 H new ATOM 0 HA HIS A 60 -9.730 -14.696 11.690 1.00 65.21 H new ATOM 0 HB2 HIS A 60 -9.789 -14.445 14.024 1.00 22.42 H new ATOM 0 HB3 HIS A 60 -9.718 -16.148 13.617 1.00 22.42 H new ATOM 0 HD2 HIS A 60 -8.993 -16.809 16.032 1.00 50.24 H new ATOM 0 HE1 HIS A 60 -5.180 -15.001 16.225 1.00 45.01 H new ATOM 0 HE2 HIS A 60 -6.842 -16.556 17.365 1.00 4.34 H new ATOM 830 N TRP A 61 -6.709 -13.682 11.679 1.00 51.24 N ATOM 831 CA TRP A 61 -5.824 -12.560 11.415 1.00 21.45 C ATOM 832 C TRP A 61 -6.213 -11.943 10.060 1.00 71.02 C ATOM 833 O TRP A 61 -5.982 -10.769 9.802 1.00 50.40 O ATOM 834 CB TRP A 61 -4.374 -13.076 11.435 1.00 44.11 C ATOM 835 CG TRP A 61 -3.289 -12.088 11.142 1.00 42.33 C ATOM 836 CD1 TRP A 61 -2.681 -11.238 12.020 1.00 64.32 C ATOM 837 CD2 TRP A 61 -2.644 -11.897 9.884 1.00 64.31 C ATOM 838 NE1 TRP A 61 -1.697 -10.524 11.375 1.00 1.02 N ATOM 839 CE2 TRP A 61 -1.657 -10.914 10.060 1.00 21.31 C ATOM 840 CE3 TRP A 61 -2.811 -12.466 8.622 1.00 14.35 C ATOM 841 CZ2 TRP A 61 -0.839 -10.493 9.020 1.00 73.41 C ATOM 842 CZ3 TRP A 61 -1.999 -12.046 7.597 1.00 64.33 C ATOM 843 CH2 TRP A 61 -1.025 -11.072 7.803 1.00 64.12 C ATOM 0 H TRP A 61 -6.258 -14.590 11.568 1.00 51.24 H new ATOM 0 HA TRP A 61 -5.913 -11.781 12.172 1.00 21.45 H new ATOM 0 HB2 TRP A 61 -4.182 -13.505 12.418 1.00 44.11 H new ATOM 0 HB3 TRP A 61 -4.295 -13.888 10.712 1.00 44.11 H new ATOM 0 HD1 TRP A 61 -2.934 -11.140 13.065 1.00 64.32 H new ATOM 0 HE1 TRP A 61 -1.096 -9.820 11.804 1.00 1.02 H new ATOM 0 HE3 TRP A 61 -3.564 -13.222 8.454 1.00 14.35 H new ATOM 0 HZ2 TRP A 61 -0.084 -9.735 9.171 1.00 73.41 H new ATOM 0 HZ3 TRP A 61 -2.118 -12.478 6.614 1.00 64.33 H new ATOM 0 HH2 TRP A 61 -0.401 -10.769 6.975 1.00 64.12 H new ATOM 854 N PHE A 62 -6.834 -12.744 9.209 1.00 1.34 N ATOM 855 CA PHE A 62 -7.371 -12.244 7.964 1.00 32.33 C ATOM 856 C PHE A 62 -8.696 -11.511 8.202 1.00 3.42 C ATOM 857 O PHE A 62 -9.087 -10.647 7.416 1.00 54.23 O ATOM 858 CB PHE A 62 -7.515 -13.347 6.904 1.00 3.44 C ATOM 859 CG PHE A 62 -6.205 -13.855 6.363 1.00 71.43 C ATOM 860 CD1 PHE A 62 -5.342 -13.003 5.703 1.00 11.33 C ATOM 861 CD2 PHE A 62 -5.841 -15.173 6.510 1.00 33.33 C ATOM 862 CE1 PHE A 62 -4.146 -13.461 5.203 1.00 34.31 C ATOM 863 CE2 PHE A 62 -4.645 -15.636 6.013 1.00 34.33 C ATOM 864 CZ PHE A 62 -3.799 -14.780 5.359 1.00 14.34 C ATOM 0 H PHE A 62 -6.976 -13.742 9.362 1.00 1.34 H new ATOM 0 HA PHE A 62 -6.653 -11.528 7.564 1.00 32.33 H new ATOM 0 HB2 PHE A 62 -8.065 -14.182 7.337 1.00 3.44 H new ATOM 0 HB3 PHE A 62 -8.114 -12.965 6.077 1.00 3.44 H new ATOM 0 HD1 PHE A 62 -5.610 -11.964 5.578 1.00 11.33 H new ATOM 0 HD2 PHE A 62 -6.504 -15.854 7.023 1.00 33.33 H new ATOM 0 HE1 PHE A 62 -3.480 -12.784 4.688 1.00 34.31 H new ATOM 0 HE2 PHE A 62 -4.373 -16.674 6.138 1.00 34.33 H new ATOM 0 HZ PHE A 62 -2.860 -15.142 4.967 1.00 14.34 H new ATOM 874 N ARG A 63 -9.370 -11.832 9.316 1.00 71.10 N ATOM 875 CA ARG A 63 -10.609 -11.122 9.716 1.00 55.44 C ATOM 876 C ARG A 63 -10.281 -9.703 10.092 1.00 33.12 C ATOM 877 O ARG A 63 -11.076 -8.802 9.902 1.00 22.33 O ATOM 878 CB ARG A 63 -11.334 -11.814 10.882 1.00 3.51 C ATOM 879 CG ARG A 63 -12.480 -12.713 10.470 1.00 62.22 C ATOM 880 CD ARG A 63 -12.030 -13.820 9.559 1.00 12.25 C ATOM 881 NE ARG A 63 -13.158 -14.618 9.087 1.00 23.31 N ATOM 882 CZ ARG A 63 -13.110 -15.426 8.035 1.00 21.13 C ATOM 883 NH1 ARG A 63 -11.983 -15.553 7.348 1.00 31.44 N ATOM 884 NH2 ARG A 63 -14.187 -16.111 7.661 1.00 64.34 N ATOM 0 H ARG A 63 -9.086 -12.573 9.957 1.00 71.10 H new ATOM 0 HA ARG A 63 -11.284 -11.139 8.860 1.00 55.44 H new ATOM 0 HB2 ARG A 63 -10.610 -12.405 11.443 1.00 3.51 H new ATOM 0 HB3 ARG A 63 -11.715 -11.050 11.560 1.00 3.51 H new ATOM 0 HG2 ARG A 63 -12.942 -13.141 11.359 1.00 62.22 H new ATOM 0 HG3 ARG A 63 -13.244 -12.119 9.968 1.00 62.22 H new ATOM 0 HD2 ARG A 63 -11.500 -13.397 8.706 1.00 12.25 H new ATOM 0 HD3 ARG A 63 -11.324 -14.462 10.086 1.00 12.25 H new ATOM 0 HE ARG A 63 -14.038 -14.550 9.598 1.00 23.31 H new ATOM 0 HH11 ARG A 63 -11.153 -15.030 7.628 1.00 31.44 H new ATOM 0 HH12 ARG A 63 -11.946 -16.174 6.540 1.00 31.44 H new ATOM 0 HH21 ARG A 63 -15.058 -16.017 8.184 1.00 64.34 H new ATOM 0 HH22 ARG A 63 -14.142 -16.730 6.851 1.00 64.34 H new ATOM 898 N LYS A 64 -9.074 -9.531 10.579 1.00 70.25 N ATOM 899 CA LYS A 64 -8.513 -8.241 10.939 1.00 0.23 C ATOM 900 C LYS A 64 -8.435 -7.311 9.707 1.00 30.40 C ATOM 901 O LYS A 64 -8.450 -6.095 9.829 1.00 65.54 O ATOM 902 CB LYS A 64 -7.127 -8.502 11.562 1.00 11.40 C ATOM 903 CG LYS A 64 -5.967 -7.694 11.002 1.00 54.41 C ATOM 904 CD LYS A 64 -4.648 -8.215 11.534 1.00 21.44 C ATOM 905 CE LYS A 64 -3.457 -7.509 10.873 1.00 55.24 C ATOM 906 NZ LYS A 64 -3.416 -7.713 9.403 1.00 12.51 N ATOM 0 H LYS A 64 -8.432 -10.307 10.742 1.00 70.25 H new ATOM 0 HA LYS A 64 -9.147 -7.727 11.661 1.00 0.23 H new ATOM 0 HB2 LYS A 64 -7.192 -8.308 12.633 1.00 11.40 H new ATOM 0 HB3 LYS A 64 -6.894 -9.560 11.444 1.00 11.40 H new ATOM 0 HG2 LYS A 64 -5.972 -7.747 9.913 1.00 54.41 H new ATOM 0 HG3 LYS A 64 -6.085 -6.644 11.271 1.00 54.41 H new ATOM 0 HD2 LYS A 64 -4.606 -8.068 12.613 1.00 21.44 H new ATOM 0 HD3 LYS A 64 -4.581 -9.288 11.356 1.00 21.44 H new ATOM 0 HE2 LYS A 64 -3.508 -6.441 11.087 1.00 55.24 H new ATOM 0 HE3 LYS A 64 -2.531 -7.878 11.313 1.00 55.24 H new ATOM 0 HZ1 LYS A 64 -2.575 -7.244 9.011 1.00 12.51 H new ATOM 0 HZ2 LYS A 64 -3.374 -8.731 9.195 1.00 12.51 H new ATOM 0 HZ3 LYS A 64 -4.271 -7.307 8.972 1.00 12.51 H new ATOM 920 N ASN A 65 -8.381 -7.912 8.529 1.00 53.44 N ATOM 921 CA ASN A 65 -8.299 -7.158 7.283 1.00 34.21 C ATOM 922 C ASN A 65 -9.633 -7.196 6.572 1.00 62.41 C ATOM 923 O ASN A 65 -9.763 -6.715 5.444 1.00 53.01 O ATOM 924 CB ASN A 65 -7.256 -7.761 6.348 1.00 24.52 C ATOM 925 CG ASN A 65 -5.858 -7.820 6.908 1.00 13.10 C ATOM 926 OD1 ASN A 65 -5.446 -6.989 7.715 1.00 40.54 O ATOM 927 ND2 ASN A 65 -5.129 -8.820 6.505 1.00 41.00 N ATOM 0 H ASN A 65 -8.392 -8.925 8.407 1.00 53.44 H new ATOM 0 HA ASN A 65 -8.021 -6.134 7.533 1.00 34.21 H new ATOM 0 HB2 ASN A 65 -7.568 -8.771 6.083 1.00 24.52 H new ATOM 0 HB3 ASN A 65 -7.238 -7.181 5.426 1.00 24.52 H new ATOM 0 HD21 ASN A 65 -4.180 -8.935 6.860 1.00 41.00 H new ATOM 0 HD22 ASN A 65 -5.507 -9.489 5.834 1.00 41.00 H new ATOM 934 N GLY A 66 -10.616 -7.793 7.225 1.00 61.25 N ATOM 935 CA GLY A 66 -11.933 -7.939 6.639 1.00 21.23 C ATOM 936 C GLY A 66 -11.957 -8.918 5.468 1.00 10.02 C ATOM 937 O GLY A 66 -12.740 -8.757 4.521 1.00 11.01 O ATOM 0 H GLY A 66 -10.524 -8.184 8.163 1.00 61.25 H new ATOM 0 HA2 GLY A 66 -12.630 -8.279 7.405 1.00 21.23 H new ATOM 0 HA3 GLY A 66 -12.284 -6.965 6.299 1.00 21.23 H new ATOM 941 N TYR A 67 -11.106 -9.923 5.507 1.00 23.21 N ATOM 942 CA TYR A 67 -11.060 -10.909 4.444 1.00 31.25 C ATOM 943 C TYR A 67 -12.152 -11.939 4.547 1.00 61.03 C ATOM 944 O TYR A 67 -12.366 -12.554 5.599 1.00 64.31 O ATOM 945 CB TYR A 67 -9.737 -11.629 4.376 1.00 51.32 C ATOM 946 CG TYR A 67 -8.633 -10.899 3.679 1.00 13.03 C ATOM 947 CD1 TYR A 67 -8.757 -10.534 2.351 1.00 33.44 C ATOM 948 CD2 TYR A 67 -7.452 -10.615 4.325 1.00 35.43 C ATOM 949 CE1 TYR A 67 -7.734 -9.900 1.699 1.00 11.14 C ATOM 950 CE2 TYR A 67 -6.419 -9.992 3.668 1.00 64.34 C ATOM 951 CZ TYR A 67 -6.569 -9.638 2.362 1.00 52.10 C ATOM 952 OH TYR A 67 -5.536 -9.046 1.702 1.00 43.50 O ATOM 0 H TYR A 67 -10.438 -10.079 6.261 1.00 23.21 H new ATOM 0 HA TYR A 67 -11.205 -10.328 3.533 1.00 31.25 H new ATOM 0 HB2 TYR A 67 -9.414 -11.853 5.393 1.00 51.32 H new ATOM 0 HB3 TYR A 67 -9.890 -12.584 3.873 1.00 51.32 H new ATOM 0 HD1 TYR A 67 -9.673 -10.752 1.821 1.00 33.44 H new ATOM 0 HD2 TYR A 67 -7.335 -10.886 5.364 1.00 35.43 H new ATOM 0 HE1 TYR A 67 -7.847 -9.608 0.665 1.00 11.14 H new ATOM 0 HE2 TYR A 67 -5.493 -9.784 4.184 1.00 64.34 H new ATOM 0 HH TYR A 67 -4.870 -8.734 2.350 1.00 43.50 H new ATOM 962 N ARG A 68 -12.817 -12.146 3.443 1.00 11.43 N ATOM 963 CA ARG A 68 -13.816 -13.161 3.333 1.00 50.20 C ATOM 964 C ARG A 68 -13.158 -14.433 2.807 1.00 12.51 C ATOM 965 O ARG A 68 -13.062 -14.653 1.598 1.00 71.45 O ATOM 966 CB ARG A 68 -14.980 -12.724 2.423 1.00 40.21 C ATOM 967 CG ARG A 68 -15.816 -11.559 2.944 1.00 31.45 C ATOM 968 CD ARG A 68 -15.602 -10.307 2.113 1.00 15.34 C ATOM 969 NE ARG A 68 -14.283 -9.675 2.332 1.00 55.44 N ATOM 970 CZ ARG A 68 -13.423 -9.292 1.373 1.00 50.41 C ATOM 971 NH1 ARG A 68 -13.680 -9.534 0.090 1.00 12.43 N ATOM 972 NH2 ARG A 68 -12.305 -8.658 1.707 1.00 43.12 N ATOM 0 H ARG A 68 -12.675 -11.607 2.589 1.00 11.43 H new ATOM 0 HA ARG A 68 -14.246 -13.345 4.317 1.00 50.20 H new ATOM 0 HB2 ARG A 68 -14.574 -12.451 1.449 1.00 40.21 H new ATOM 0 HB3 ARG A 68 -15.637 -13.579 2.266 1.00 40.21 H new ATOM 0 HG2 ARG A 68 -16.871 -11.831 2.929 1.00 31.45 H new ATOM 0 HG3 ARG A 68 -15.554 -11.357 3.983 1.00 31.45 H new ATOM 0 HD2 ARG A 68 -15.705 -10.558 1.057 1.00 15.34 H new ATOM 0 HD3 ARG A 68 -16.385 -9.586 2.347 1.00 15.34 H new ATOM 0 HE ARG A 68 -14.000 -9.515 3.299 1.00 55.44 H new ATOM 0 HH11 ARG A 68 -14.539 -10.016 -0.176 1.00 12.43 H new ATOM 0 HH12 ARG A 68 -13.018 -9.238 -0.627 1.00 12.43 H new ATOM 0 HH21 ARG A 68 -12.102 -8.464 2.688 1.00 43.12 H new ATOM 0 HH22 ARG A 68 -11.649 -8.365 0.983 1.00 43.12 H new ATOM 986 N LEU A 69 -12.612 -15.188 3.718 1.00 45.31 N ATOM 987 CA LEU A 69 -11.943 -16.441 3.416 1.00 54.44 C ATOM 988 C LEU A 69 -12.553 -17.516 4.269 1.00 10.34 C ATOM 989 O LEU A 69 -12.907 -17.256 5.431 1.00 4.12 O ATOM 990 CB LEU A 69 -10.441 -16.345 3.754 1.00 12.24 C ATOM 991 CG LEU A 69 -9.608 -15.340 2.957 1.00 73.43 C ATOM 992 CD1 LEU A 69 -8.202 -15.255 3.520 1.00 31.03 C ATOM 993 CD2 LEU A 69 -9.542 -15.745 1.505 1.00 31.33 C ATOM 0 H LEU A 69 -12.614 -14.954 4.711 1.00 45.31 H new ATOM 0 HA LEU A 69 -12.057 -16.664 2.355 1.00 54.44 H new ATOM 0 HB2 LEU A 69 -10.348 -16.098 4.811 1.00 12.24 H new ATOM 0 HB3 LEU A 69 -10.000 -17.333 3.618 1.00 12.24 H new ATOM 0 HG LEU A 69 -10.086 -14.364 3.036 1.00 73.43 H new ATOM 0 HD11 LEU A 69 -7.622 -14.536 2.942 1.00 31.03 H new ATOM 0 HD12 LEU A 69 -8.246 -14.934 4.561 1.00 31.03 H new ATOM 0 HD13 LEU A 69 -7.727 -16.234 3.462 1.00 31.03 H new ATOM 0 HD21 LEU A 69 -8.946 -15.020 0.952 1.00 31.33 H new ATOM 0 HD22 LEU A 69 -9.083 -16.730 1.423 1.00 31.33 H new ATOM 0 HD23 LEU A 69 -10.550 -15.778 1.090 1.00 31.33 H new ATOM 1005 N THR A 70 -12.702 -18.676 3.745 1.00 12.33 N ATOM 1006 CA THR A 70 -13.209 -19.757 4.515 1.00 25.02 C ATOM 1007 C THR A 70 -12.019 -20.449 5.169 1.00 15.20 C ATOM 1008 O THR A 70 -10.958 -20.575 4.559 1.00 34.33 O ATOM 1009 CB THR A 70 -13.950 -20.749 3.625 1.00 74.24 C ATOM 1010 OG1 THR A 70 -14.704 -20.021 2.655 1.00 62.13 O ATOM 1011 CG2 THR A 70 -14.907 -21.603 4.450 1.00 62.10 C ATOM 0 H THR A 70 -12.479 -18.906 2.777 1.00 12.33 H new ATOM 0 HA THR A 70 -13.910 -19.387 5.264 1.00 25.02 H new ATOM 0 HB THR A 70 -13.223 -21.401 3.141 1.00 74.24 H new ATOM 0 HG1 THR A 70 -14.104 -19.694 1.952 1.00 62.13 H new ATOM 0 HG21 THR A 70 -15.425 -22.304 3.796 1.00 62.10 H new ATOM 0 HG22 THR A 70 -14.345 -22.157 5.202 1.00 62.10 H new ATOM 0 HG23 THR A 70 -15.636 -20.960 4.943 1.00 62.10 H new ATOM 1019 N LEU A 71 -12.203 -20.896 6.387 1.00 32.13 N ATOM 1020 CA LEU A 71 -11.134 -21.512 7.169 1.00 0.23 C ATOM 1021 C LEU A 71 -10.554 -22.740 6.463 1.00 73.20 C ATOM 1022 O LEU A 71 -9.346 -22.885 6.355 1.00 52.32 O ATOM 1023 CB LEU A 71 -11.649 -21.829 8.589 1.00 53.50 C ATOM 1024 CG LEU A 71 -10.712 -22.578 9.555 1.00 4.52 C ATOM 1025 CD1 LEU A 71 -9.387 -21.855 9.745 1.00 35.35 C ATOM 1026 CD2 LEU A 71 -11.385 -22.737 10.893 1.00 60.32 C ATOM 0 H LEU A 71 -13.098 -20.847 6.875 1.00 32.13 H new ATOM 0 HA LEU A 71 -10.308 -20.807 7.261 1.00 0.23 H new ATOM 0 HB2 LEU A 71 -11.927 -20.886 9.060 1.00 53.50 H new ATOM 0 HB3 LEU A 71 -12.561 -22.417 8.488 1.00 53.50 H new ATOM 0 HG LEU A 71 -10.502 -23.553 9.115 1.00 4.52 H new ATOM 0 HD11 LEU A 71 -8.760 -22.420 10.434 1.00 35.35 H new ATOM 0 HD12 LEU A 71 -8.881 -21.765 8.784 1.00 35.35 H new ATOM 0 HD13 LEU A 71 -9.570 -20.861 10.153 1.00 35.35 H new ATOM 0 HD21 LEU A 71 -10.720 -23.267 11.574 1.00 60.32 H new ATOM 0 HD22 LEU A 71 -11.616 -21.754 11.303 1.00 60.32 H new ATOM 0 HD23 LEU A 71 -12.307 -23.305 10.771 1.00 60.32 H new ATOM 1038 N ARG A 72 -11.416 -23.572 5.916 1.00 14.50 N ATOM 1039 CA ARG A 72 -10.962 -24.763 5.232 1.00 25.12 C ATOM 1040 C ARG A 72 -10.297 -24.523 3.881 1.00 2.52 C ATOM 1041 O ARG A 72 -9.640 -25.416 3.376 1.00 2.12 O ATOM 1042 CB ARG A 72 -11.966 -25.921 5.243 1.00 51.00 C ATOM 1043 CG ARG A 72 -12.063 -26.639 6.596 1.00 31.12 C ATOM 1044 CD ARG A 72 -10.827 -27.491 6.823 1.00 2.44 C ATOM 1045 NE ARG A 72 -10.613 -27.910 8.248 1.00 14.14 N ATOM 1046 CZ ARG A 72 -9.471 -28.523 8.731 1.00 44.11 C ATOM 1047 NH1 ARG A 72 -8.569 -29.034 7.890 1.00 10.34 N ATOM 1048 NH2 ARG A 72 -9.271 -28.652 10.048 1.00 42.23 N ATOM 0 H ARG A 72 -12.428 -23.446 5.932 1.00 14.50 H new ATOM 0 HA ARG A 72 -10.140 -25.110 5.858 1.00 25.12 H new ATOM 0 HB2 ARG A 72 -12.951 -25.539 4.972 1.00 51.00 H new ATOM 0 HB3 ARG A 72 -11.683 -26.643 4.478 1.00 51.00 H new ATOM 0 HG2 ARG A 72 -12.163 -25.908 7.398 1.00 31.12 H new ATOM 0 HG3 ARG A 72 -12.955 -27.264 6.622 1.00 31.12 H new ATOM 0 HD2 ARG A 72 -10.898 -28.384 6.202 1.00 2.44 H new ATOM 0 HD3 ARG A 72 -9.952 -26.936 6.485 1.00 2.44 H new ATOM 0 HE ARG A 72 -11.367 -27.729 8.911 1.00 14.14 H new ATOM 0 HH11 ARG A 72 -8.719 -28.974 6.883 1.00 10.34 H new ATOM 0 HH12 ARG A 72 -7.730 -29.484 8.254 1.00 10.34 H new ATOM 0 HH21 ARG A 72 -9.964 -28.297 10.706 1.00 42.23 H new ATOM 0 HH22 ARG A 72 -8.425 -29.106 10.393 1.00 42.23 H new ATOM 1062 N GLU A 73 -10.452 -23.322 3.306 1.00 0.30 N ATOM 1063 CA GLU A 73 -9.780 -23.011 2.033 1.00 51.00 C ATOM 1064 C GLU A 73 -8.267 -23.031 2.220 1.00 63.14 C ATOM 1065 O GLU A 73 -7.536 -23.680 1.467 1.00 34.44 O ATOM 1066 CB GLU A 73 -10.200 -21.648 1.459 1.00 14.42 C ATOM 1067 CG GLU A 73 -11.602 -21.594 0.897 1.00 54.51 C ATOM 1068 CD GLU A 73 -11.970 -20.222 0.371 1.00 33.32 C ATOM 1069 OE1 GLU A 73 -12.415 -19.339 1.167 1.00 60.11 O ATOM 1070 OE2 GLU A 73 -11.821 -19.993 -0.826 1.00 21.50 O ATOM 0 H GLU A 73 -11.021 -22.567 3.688 1.00 0.30 H new ATOM 0 HA GLU A 73 -10.085 -23.779 1.322 1.00 51.00 H new ATOM 0 HB2 GLU A 73 -10.111 -20.897 2.244 1.00 14.42 H new ATOM 0 HB3 GLU A 73 -9.499 -21.371 0.672 1.00 14.42 H new ATOM 0 HG2 GLU A 73 -11.695 -22.324 0.092 1.00 54.51 H new ATOM 0 HG3 GLU A 73 -12.311 -21.883 1.673 1.00 54.51 H new ATOM 1077 N LEU A 74 -7.810 -22.362 3.271 1.00 43.14 N ATOM 1078 CA LEU A 74 -6.390 -22.293 3.583 1.00 72.32 C ATOM 1079 C LEU A 74 -5.875 -23.654 4.021 1.00 54.21 C ATOM 1080 O LEU A 74 -4.690 -23.917 3.982 1.00 24.50 O ATOM 1081 CB LEU A 74 -6.080 -21.260 4.684 1.00 10.23 C ATOM 1082 CG LEU A 74 -6.332 -19.779 4.371 1.00 25.03 C ATOM 1083 CD1 LEU A 74 -7.770 -19.475 4.338 1.00 72.22 C ATOM 1084 CD2 LEU A 74 -5.651 -18.889 5.367 1.00 52.00 C ATOM 0 H LEU A 74 -8.408 -21.857 3.925 1.00 43.14 H new ATOM 0 HA LEU A 74 -5.885 -21.977 2.670 1.00 72.32 H new ATOM 0 HB2 LEU A 74 -6.670 -21.521 5.563 1.00 10.23 H new ATOM 0 HB3 LEU A 74 -5.031 -21.370 4.960 1.00 10.23 H new ATOM 0 HG LEU A 74 -5.912 -19.587 3.384 1.00 25.03 H new ATOM 0 HD11 LEU A 74 -7.913 -18.418 4.114 1.00 72.22 H new ATOM 0 HD12 LEU A 74 -8.252 -20.078 3.568 1.00 72.22 H new ATOM 0 HD13 LEU A 74 -8.213 -19.704 5.308 1.00 72.22 H new ATOM 0 HD21 LEU A 74 -5.848 -17.846 5.118 1.00 52.00 H new ATOM 0 HD22 LEU A 74 -6.032 -19.102 6.366 1.00 52.00 H new ATOM 0 HD23 LEU A 74 -4.577 -19.071 5.342 1.00 52.00 H new ATOM 1096 N TYR A 75 -6.792 -24.502 4.444 1.00 32.03 N ATOM 1097 CA TYR A 75 -6.473 -25.856 4.844 1.00 60.12 C ATOM 1098 C TYR A 75 -6.317 -26.776 3.661 1.00 45.33 C ATOM 1099 O TYR A 75 -5.783 -27.871 3.793 1.00 44.23 O ATOM 1100 CB TYR A 75 -7.511 -26.414 5.816 1.00 34.14 C ATOM 1101 CG TYR A 75 -7.289 -26.038 7.188 1.00 55.23 C ATOM 1102 CD1 TYR A 75 -6.166 -26.450 7.823 1.00 63.31 C ATOM 1103 CD2 TYR A 75 -8.214 -25.299 7.874 1.00 44.21 C ATOM 1104 CE1 TYR A 75 -5.961 -26.127 9.108 1.00 24.31 C ATOM 1105 CE2 TYR A 75 -8.020 -24.972 9.154 1.00 51.05 C ATOM 1106 CZ TYR A 75 -6.904 -25.377 9.769 1.00 24.32 C ATOM 1107 OH TYR A 75 -6.712 -25.041 11.026 1.00 51.30 O ATOM 0 H TYR A 75 -7.782 -24.269 4.520 1.00 32.03 H new ATOM 0 HA TYR A 75 -5.512 -25.807 5.357 1.00 60.12 H new ATOM 0 HB2 TYR A 75 -8.500 -26.072 5.512 1.00 34.14 H new ATOM 0 HB3 TYR A 75 -7.514 -27.502 5.744 1.00 34.14 H new ATOM 0 HD1 TYR A 75 -5.433 -27.040 7.293 1.00 63.31 H new ATOM 0 HD2 TYR A 75 -9.114 -24.975 7.373 1.00 44.21 H new ATOM 0 HE1 TYR A 75 -5.066 -26.452 9.617 1.00 24.31 H new ATOM 0 HE2 TYR A 75 -8.756 -24.387 9.686 1.00 51.05 H new ATOM 0 HH TYR A 75 -7.473 -24.511 11.343 1.00 51.30 H new ATOM 1117 N ALA A 76 -6.800 -26.350 2.525 1.00 32.31 N ATOM 1118 CA ALA A 76 -6.677 -27.143 1.335 1.00 41.44 C ATOM 1119 C ALA A 76 -5.396 -26.769 0.609 1.00 50.20 C ATOM 1120 O ALA A 76 -4.718 -27.617 0.036 1.00 33.02 O ATOM 1121 CB ALA A 76 -7.892 -26.962 0.440 1.00 52.04 C ATOM 0 H ALA A 76 -7.281 -25.459 2.400 1.00 32.31 H new ATOM 0 HA ALA A 76 -6.629 -28.197 1.608 1.00 41.44 H new ATOM 0 HB1 ALA A 76 -7.778 -27.572 -0.456 1.00 52.04 H new ATOM 0 HB2 ALA A 76 -8.789 -27.271 0.977 1.00 52.04 H new ATOM 0 HB3 ALA A 76 -7.982 -25.913 0.156 1.00 52.04 H new ATOM 1127 N ALA A 77 -5.064 -25.497 0.651 1.00 40.02 N ATOM 1128 CA ALA A 77 -3.852 -25.013 0.044 1.00 62.34 C ATOM 1129 C ALA A 77 -3.142 -24.041 0.978 1.00 33.10 C ATOM 1130 O ALA A 77 -3.372 -22.832 0.917 1.00 0.33 O ATOM 1131 CB ALA A 77 -4.134 -24.358 -1.307 1.00 30.52 C ATOM 0 H ALA A 77 -5.625 -24.776 1.105 1.00 40.02 H new ATOM 0 HA ALA A 77 -3.197 -25.866 -0.132 1.00 62.34 H new ATOM 0 HB1 ALA A 77 -3.200 -24.002 -1.741 1.00 30.52 H new ATOM 0 HB2 ALA A 77 -4.591 -25.087 -1.976 1.00 30.52 H new ATOM 0 HB3 ALA A 77 -4.813 -23.517 -1.169 1.00 30.52 H new ATOM 1137 N PRO A 78 -2.318 -24.541 1.901 1.00 62.43 N ATOM 1138 CA PRO A 78 -1.598 -23.700 2.817 1.00 31.55 C ATOM 1139 C PRO A 78 -0.224 -23.343 2.279 1.00 74.54 C ATOM 1140 O PRO A 78 0.766 -24.030 2.549 1.00 75.12 O ATOM 1141 CB PRO A 78 -1.474 -24.569 4.078 1.00 63.04 C ATOM 1142 CG PRO A 78 -1.825 -25.977 3.645 1.00 70.32 C ATOM 1143 CD PRO A 78 -2.047 -25.951 2.155 1.00 44.43 C ATOM 0 HA PRO A 78 -2.101 -22.750 2.995 1.00 31.55 H new ATOM 0 HB2 PRO A 78 -0.464 -24.525 4.485 1.00 63.04 H new ATOM 0 HB3 PRO A 78 -2.148 -24.221 4.861 1.00 63.04 H new ATOM 0 HG2 PRO A 78 -1.022 -26.668 3.901 1.00 70.32 H new ATOM 0 HG3 PRO A 78 -2.721 -26.324 4.160 1.00 70.32 H new ATOM 0 HD2 PRO A 78 -1.171 -26.301 1.608 1.00 44.43 H new ATOM 0 HD3 PRO A 78 -2.883 -26.585 1.858 1.00 44.43 H new ATOM 1151 N THR A 79 -0.177 -22.287 1.513 1.00 13.12 N ATOM 1152 CA THR A 79 1.032 -21.795 0.893 1.00 15.31 C ATOM 1153 C THR A 79 0.901 -20.299 0.795 1.00 11.34 C ATOM 1154 O THR A 79 -0.211 -19.804 0.596 1.00 30.52 O ATOM 1155 CB THR A 79 1.204 -22.364 -0.553 1.00 44.42 C ATOM 1156 OG1 THR A 79 -0.011 -22.168 -1.298 1.00 23.54 O ATOM 1157 CG2 THR A 79 1.561 -23.844 -0.558 1.00 31.42 C ATOM 0 H THR A 79 -1.000 -21.726 1.294 1.00 13.12 H new ATOM 0 HA THR A 79 1.893 -22.102 1.487 1.00 15.31 H new ATOM 0 HB THR A 79 2.029 -21.823 -1.016 1.00 44.42 H new ATOM 0 HG1 THR A 79 0.100 -22.524 -2.204 1.00 23.54 H new ATOM 0 HG21 THR A 79 1.669 -24.189 -1.586 1.00 31.42 H new ATOM 0 HG22 THR A 79 2.500 -23.994 -0.025 1.00 31.42 H new ATOM 0 HG23 THR A 79 0.770 -24.411 -0.066 1.00 31.42 H new ATOM 1165 N LEU A 80 1.990 -19.577 0.922 1.00 54.01 N ATOM 1166 CA LEU A 80 1.940 -18.132 0.811 1.00 24.34 C ATOM 1167 C LEU A 80 1.487 -17.686 -0.580 1.00 44.20 C ATOM 1168 O LEU A 80 0.775 -16.696 -0.708 1.00 60.02 O ATOM 1169 CB LEU A 80 3.264 -17.477 1.221 1.00 73.13 C ATOM 1170 CG LEU A 80 3.409 -17.086 2.705 1.00 62.44 C ATOM 1171 CD1 LEU A 80 4.771 -16.511 2.986 1.00 60.05 C ATOM 1172 CD2 LEU A 80 2.380 -16.057 3.086 1.00 10.03 C ATOM 0 H LEU A 80 2.918 -19.961 1.101 1.00 54.01 H new ATOM 0 HA LEU A 80 1.187 -17.785 1.518 1.00 24.34 H new ATOM 0 HB2 LEU A 80 4.075 -18.160 0.968 1.00 73.13 H new ATOM 0 HB3 LEU A 80 3.402 -16.580 0.617 1.00 73.13 H new ATOM 0 HG LEU A 80 3.267 -17.995 3.290 1.00 62.44 H new ATOM 0 HD11 LEU A 80 4.843 -16.245 4.041 1.00 60.05 H new ATOM 0 HD12 LEU A 80 5.535 -17.250 2.745 1.00 60.05 H new ATOM 0 HD13 LEU A 80 4.923 -15.621 2.376 1.00 60.05 H new ATOM 0 HD21 LEU A 80 2.500 -15.795 4.137 1.00 10.03 H new ATOM 0 HD22 LEU A 80 2.512 -15.166 2.472 1.00 10.03 H new ATOM 0 HD23 LEU A 80 1.382 -16.464 2.925 1.00 10.03 H new ATOM 1184 N ALA A 81 1.858 -18.459 -1.598 1.00 3.41 N ATOM 1185 CA ALA A 81 1.464 -18.195 -2.982 1.00 45.21 C ATOM 1186 C ALA A 81 -0.054 -18.165 -3.129 1.00 64.02 C ATOM 1187 O ALA A 81 -0.628 -17.155 -3.558 1.00 41.11 O ATOM 1188 CB ALA A 81 2.047 -19.249 -3.914 1.00 72.03 C ATOM 0 H ALA A 81 2.442 -19.288 -1.487 1.00 3.41 H new ATOM 0 HA ALA A 81 1.858 -17.216 -3.255 1.00 45.21 H new ATOM 0 HB1 ALA A 81 1.743 -19.036 -4.939 1.00 72.03 H new ATOM 0 HB2 ALA A 81 3.135 -19.232 -3.847 1.00 72.03 H new ATOM 0 HB3 ALA A 81 1.681 -20.234 -3.624 1.00 72.03 H new ATOM 1194 N ALA A 82 -0.713 -19.258 -2.737 1.00 21.01 N ATOM 1195 CA ALA A 82 -2.156 -19.343 -2.872 1.00 54.43 C ATOM 1196 C ALA A 82 -2.849 -18.381 -1.949 1.00 73.40 C ATOM 1197 O ALA A 82 -3.839 -17.784 -2.328 1.00 62.23 O ATOM 1198 CB ALA A 82 -2.674 -20.745 -2.652 1.00 2.12 C ATOM 0 H ALA A 82 -0.271 -20.082 -2.330 1.00 21.01 H new ATOM 0 HA ALA A 82 -2.385 -19.066 -3.901 1.00 54.43 H new ATOM 0 HB1 ALA A 82 -3.758 -20.754 -2.764 1.00 2.12 H new ATOM 0 HB2 ALA A 82 -2.228 -21.417 -3.385 1.00 2.12 H new ATOM 0 HB3 ALA A 82 -2.410 -21.077 -1.648 1.00 2.12 H new ATOM 1204 N TRP A 83 -2.314 -18.216 -0.748 1.00 51.52 N ATOM 1205 CA TRP A 83 -2.887 -17.291 0.216 1.00 4.30 C ATOM 1206 C TRP A 83 -2.871 -15.889 -0.310 1.00 2.45 C ATOM 1207 O TRP A 83 -3.871 -15.216 -0.257 1.00 34.12 O ATOM 1208 CB TRP A 83 -2.191 -17.368 1.555 1.00 54.42 C ATOM 1209 CG TRP A 83 -2.512 -18.603 2.332 1.00 62.13 C ATOM 1210 CD1 TRP A 83 -3.130 -19.737 1.893 1.00 1.15 C ATOM 1211 CD2 TRP A 83 -2.255 -18.798 3.694 1.00 32.11 C ATOM 1212 NE1 TRP A 83 -3.226 -20.637 2.901 1.00 63.54 N ATOM 1213 CE2 TRP A 83 -2.711 -20.077 4.029 1.00 4.25 C ATOM 1214 CE3 TRP A 83 -1.677 -18.009 4.661 1.00 34.54 C ATOM 1215 CZ2 TRP A 83 -2.610 -20.583 5.301 1.00 32.25 C ATOM 1216 CZ3 TRP A 83 -1.580 -18.504 5.944 1.00 4.25 C ATOM 1217 CH2 TRP A 83 -2.052 -19.789 6.248 1.00 33.42 C ATOM 0 H TRP A 83 -1.485 -18.711 -0.419 1.00 51.52 H new ATOM 0 HA TRP A 83 -3.924 -17.589 0.370 1.00 4.30 H new ATOM 0 HB2 TRP A 83 -1.114 -17.319 1.397 1.00 54.42 H new ATOM 0 HB3 TRP A 83 -2.466 -16.496 2.148 1.00 54.42 H new ATOM 0 HD1 TRP A 83 -3.491 -19.895 0.887 1.00 1.15 H new ATOM 0 HE1 TRP A 83 -3.618 -21.576 2.827 1.00 63.54 H new ATOM 0 HE3 TRP A 83 -1.307 -17.023 4.420 1.00 34.54 H new ATOM 0 HZ2 TRP A 83 -2.962 -21.576 5.539 1.00 32.25 H new ATOM 0 HZ3 TRP A 83 -1.137 -17.898 6.721 1.00 4.25 H new ATOM 0 HH2 TRP A 83 -1.969 -20.155 7.261 1.00 33.42 H new ATOM 1228 N ASN A 84 -1.730 -15.469 -0.833 1.00 72.44 N ATOM 1229 CA ASN A 84 -1.587 -14.160 -1.503 1.00 3.21 C ATOM 1230 C ASN A 84 -2.701 -13.958 -2.527 1.00 62.55 C ATOM 1231 O ASN A 84 -3.379 -12.923 -2.537 1.00 2.43 O ATOM 1232 CB ASN A 84 -0.230 -14.065 -2.215 1.00 51.34 C ATOM 1233 CG ASN A 84 -0.054 -12.777 -3.005 1.00 32.24 C ATOM 1234 OD1 ASN A 84 -0.400 -12.704 -4.180 1.00 25.22 O ATOM 1235 ND2 ASN A 84 0.492 -11.765 -2.378 1.00 50.22 N ATOM 0 H ASN A 84 -0.870 -16.016 -0.812 1.00 72.44 H new ATOM 0 HA ASN A 84 -1.651 -13.385 -0.740 1.00 3.21 H new ATOM 0 HB2 ASN A 84 0.567 -14.141 -1.475 1.00 51.34 H new ATOM 0 HB3 ASN A 84 -0.121 -14.914 -2.889 1.00 51.34 H new ATOM 0 HD21 ASN A 84 0.641 -10.882 -2.867 1.00 50.22 H new ATOM 0 HD22 ASN A 84 0.768 -11.859 -1.401 1.00 50.22 H new ATOM 1242 N GLN A 85 -2.911 -14.973 -3.346 1.00 14.02 N ATOM 1243 CA GLN A 85 -3.945 -14.954 -4.366 1.00 22.12 C ATOM 1244 C GLN A 85 -5.336 -14.866 -3.720 1.00 31.21 C ATOM 1245 O GLN A 85 -6.166 -14.070 -4.143 1.00 32.22 O ATOM 1246 CB GLN A 85 -3.838 -16.202 -5.255 1.00 44.32 C ATOM 1247 CG GLN A 85 -2.526 -16.302 -6.029 1.00 74.11 C ATOM 1248 CD GLN A 85 -2.300 -15.133 -6.973 1.00 42.22 C ATOM 1249 OE1 GLN A 85 -2.707 -15.169 -8.121 1.00 2.12 O ATOM 1250 NE2 GLN A 85 -1.640 -14.098 -6.507 1.00 3.33 N ATOM 0 H GLN A 85 -2.368 -15.836 -3.323 1.00 14.02 H new ATOM 0 HA GLN A 85 -3.803 -14.072 -4.990 1.00 22.12 H new ATOM 0 HB2 GLN A 85 -3.949 -17.090 -4.632 1.00 44.32 H new ATOM 0 HB3 GLN A 85 -4.667 -16.203 -5.963 1.00 44.32 H new ATOM 0 HG2 GLN A 85 -1.698 -16.356 -5.323 1.00 74.11 H new ATOM 0 HG3 GLN A 85 -2.518 -17.230 -6.601 1.00 74.11 H new ATOM 0 HE21 GLN A 85 -1.311 -14.095 -5.541 1.00 3.33 H new ATOM 0 HE22 GLN A 85 -1.456 -13.297 -7.111 1.00 3.33 H new ATOM 1259 N LEU A 86 -5.557 -15.653 -2.668 1.00 15.33 N ATOM 1260 CA LEU A 86 -6.822 -15.660 -1.916 1.00 42.55 C ATOM 1261 C LEU A 86 -7.079 -14.301 -1.249 1.00 23.50 C ATOM 1262 O LEU A 86 -8.224 -13.921 -1.010 1.00 31.33 O ATOM 1263 CB LEU A 86 -6.802 -16.745 -0.822 1.00 71.32 C ATOM 1264 CG LEU A 86 -6.667 -18.208 -1.273 1.00 1.20 C ATOM 1265 CD1 LEU A 86 -6.635 -19.117 -0.075 1.00 0.32 C ATOM 1266 CD2 LEU A 86 -7.809 -18.622 -2.177 1.00 71.10 C ATOM 0 H LEU A 86 -4.864 -16.309 -2.308 1.00 15.33 H new ATOM 0 HA LEU A 86 -7.618 -15.870 -2.631 1.00 42.55 H new ATOM 0 HB2 LEU A 86 -5.976 -16.525 -0.145 1.00 71.32 H new ATOM 0 HB3 LEU A 86 -7.721 -16.655 -0.243 1.00 71.32 H new ATOM 0 HG LEU A 86 -5.735 -18.292 -1.832 1.00 1.20 H new ATOM 0 HD11 LEU A 86 -6.539 -20.151 -0.405 1.00 0.32 H new ATOM 0 HD12 LEU A 86 -5.785 -18.857 0.556 1.00 0.32 H new ATOM 0 HD13 LEU A 86 -7.558 -19.002 0.494 1.00 0.32 H new ATOM 0 HD21 LEU A 86 -7.678 -19.662 -2.475 1.00 71.10 H new ATOM 0 HD22 LEU A 86 -8.753 -18.513 -1.643 1.00 71.10 H new ATOM 0 HD23 LEU A 86 -7.819 -17.989 -3.064 1.00 71.10 H new ATOM 1278 N MET A 87 -6.009 -13.567 -0.997 1.00 23.52 N ATOM 1279 CA MET A 87 -6.076 -12.311 -0.292 1.00 45.34 C ATOM 1280 C MET A 87 -6.436 -11.253 -1.268 1.00 33.02 C ATOM 1281 O MET A 87 -7.499 -10.642 -1.204 1.00 61.01 O ATOM 1282 CB MET A 87 -4.710 -11.954 0.366 1.00 52.32 C ATOM 1283 CG MET A 87 -4.287 -12.853 1.523 1.00 11.32 C ATOM 1284 SD MET A 87 -2.598 -12.517 2.124 1.00 74.41 S ATOM 1285 CE MET A 87 -2.752 -10.883 2.845 1.00 21.23 C ATOM 0 H MET A 87 -5.066 -13.833 -1.280 1.00 23.52 H new ATOM 0 HA MET A 87 -6.821 -12.389 0.500 1.00 45.34 H new ATOM 0 HB2 MET A 87 -3.936 -11.989 -0.401 1.00 52.32 H new ATOM 0 HB3 MET A 87 -4.756 -10.926 0.725 1.00 52.32 H new ATOM 0 HG2 MET A 87 -4.989 -12.726 2.347 1.00 11.32 H new ATOM 0 HG3 MET A 87 -4.351 -13.894 1.206 1.00 11.32 H new ATOM 0 HE1 MET A 87 -1.802 -10.591 3.292 1.00 21.23 H new ATOM 0 HE2 MET A 87 -3.023 -10.167 2.069 1.00 21.23 H new ATOM 0 HE3 MET A 87 -3.525 -10.896 3.613 1.00 21.23 H new ATOM 1295 N LEU A 88 -5.581 -11.120 -2.231 1.00 42.42 N ATOM 1296 CA LEU A 88 -5.653 -10.121 -3.182 1.00 51.51 C ATOM 1297 C LEU A 88 -6.884 -10.243 -4.089 1.00 70.43 C ATOM 1298 O LEU A 88 -7.519 -9.246 -4.385 1.00 1.05 O ATOM 1299 CB LEU A 88 -4.374 -10.127 -3.970 1.00 11.31 C ATOM 1300 CG LEU A 88 -4.472 -9.415 -5.252 1.00 11.43 C ATOM 1301 CD1 LEU A 88 -4.725 -7.908 -5.034 1.00 41.32 C ATOM 1302 CD2 LEU A 88 -3.287 -9.665 -6.135 1.00 34.34 C ATOM 0 H LEU A 88 -4.787 -11.747 -2.359 1.00 42.42 H new ATOM 0 HA LEU A 88 -5.773 -9.164 -2.675 1.00 51.51 H new ATOM 0 HB2 LEU A 88 -3.585 -9.673 -3.371 1.00 11.31 H new ATOM 0 HB3 LEU A 88 -4.077 -11.159 -4.158 1.00 11.31 H new ATOM 0 HG LEU A 88 -5.335 -9.820 -5.780 1.00 11.43 H new ATOM 0 HD11 LEU A 88 -4.793 -7.407 -6.000 1.00 41.32 H new ATOM 0 HD12 LEU A 88 -5.658 -7.771 -4.488 1.00 41.32 H new ATOM 0 HD13 LEU A 88 -3.903 -7.480 -4.460 1.00 41.32 H new ATOM 0 HD21 LEU A 88 -3.408 -9.117 -7.069 1.00 34.34 H new ATOM 0 HD22 LEU A 88 -2.381 -9.329 -5.631 1.00 34.34 H new ATOM 0 HD23 LEU A 88 -3.210 -10.731 -6.347 1.00 34.34 H new ATOM 1314 N SER A 89 -7.259 -11.442 -4.471 1.00 74.22 N ATOM 1315 CA SER A 89 -8.386 -11.589 -5.382 1.00 21.21 C ATOM 1316 C SER A 89 -9.729 -11.282 -4.674 1.00 53.04 C ATOM 1317 O SER A 89 -10.795 -11.345 -5.275 1.00 24.31 O ATOM 1318 CB SER A 89 -8.404 -12.986 -5.992 1.00 21.02 C ATOM 1319 OG SER A 89 -7.148 -13.291 -6.579 1.00 54.11 O ATOM 0 H SER A 89 -6.818 -12.314 -4.178 1.00 74.22 H new ATOM 0 HA SER A 89 -8.262 -10.863 -6.185 1.00 21.21 H new ATOM 0 HB2 SER A 89 -8.640 -13.721 -5.223 1.00 21.02 H new ATOM 0 HB3 SER A 89 -9.189 -13.050 -6.746 1.00 21.02 H new ATOM 0 HG SER A 89 -6.536 -13.620 -5.888 1.00 54.11 H new