USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 694 hydrogens (29 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 37 GLN : amide:sc= 0.362 K(o=0.63,f=-0.071) USER MOD Set 1.2: A 38 GLN : amide:sc= 0.271 K(o=0.63,f=-2.6!) USER MOD Set 2.1: A 22 GLN : amide:sc= 0.104 K(o=0.45,f=-3.6) USER MOD Set 2.2: A 23 GLN : amide:sc= 0.347 K(o=0.45,f=-3.2!) USER MOD Set 3.1: A 15 ASN : amide:sc= 0.782 K(o=-4,f=-8.5!) USER MOD Set 3.2: A 17 HIS : no HD1:sc= -2.68! K(o=-4!,f=-4.7) USER MOD Set 3.3: A 64 LYS NZ :NH3+ 153:sc= -1.78! (180deg=-2.64!) USER MOD Set 3.4: A 65 ASN : amide:sc= -1.88 K(o=-4,f=-6.7) USER MOD Set 3.5: A 67 TYR OH : rot -127:sc= 1.52 USER MOD Single : A 21 TYR OH : rot 61:sc= 1.27 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.764 F(o=-2.1,f=-0.76) USER MOD Single : A 33 ASN : amide:sc= -0.0491 X(o=-0.049,f=-0.45) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 40 HIS : no HE2:sc= -1.64 X(o=-1.6,f=-1.9) USER MOD Single : A 43 SER OG : rot 84:sc= 1.24 USER MOD Single : A 44 ASN : amide:sc= 0.00557 K(o=0.0056,f=-14!) USER MOD Single : A 47 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.13) USER MOD Single : A 56 MET CE :methyl -174:sc= -3.15! (180deg=-3.32!) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -2.05! C(o=-3!,f=-2.1!) USER MOD Single : A 70 THR OG1 : rot 100:sc= 0.762 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.164 F(o=-1.5,f=-0.16) USER MOD Single : A 85 GLN : amide:sc= 0.46 K(o=0.46,f=-0.22) USER MOD Single : A 87 MET CE :methyl 179:sc= -1.4 (180deg=-1.4) USER MOD Single : A 89 SER OG : rot 152:sc= 1.28 USER MOD Single : A 91 SER OG : rot 3:sc= 1.76 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 10.130 6.484 3.513 1.00 40.32 N ATOM 2 CA ASP A 14 9.973 5.532 2.422 1.00 24.10 C ATOM 3 C ASP A 14 9.573 6.316 1.181 1.00 21.15 C ATOM 4 O ASP A 14 9.576 7.546 1.218 1.00 75.25 O ATOM 5 CB ASP A 14 8.901 4.490 2.791 1.00 5.53 C ATOM 6 CG ASP A 14 7.536 5.096 2.947 1.00 11.51 C ATOM 7 OD1 ASP A 14 7.448 6.241 3.416 1.00 74.01 O ATOM 8 OD2 ASP A 14 6.552 4.459 2.546 1.00 54.35 O ATOM 0 HA ASP A 14 10.902 4.995 2.233 1.00 24.10 H new ATOM 0 HB2 ASP A 14 8.867 3.721 2.020 1.00 5.53 H new ATOM 0 HB3 ASP A 14 9.184 3.997 3.721 1.00 5.53 H new ATOM 13 N ASN A 15 9.250 5.634 0.099 1.00 62.30 N ATOM 14 CA ASN A 15 8.921 6.289 -1.157 1.00 34.51 C ATOM 15 C ASN A 15 7.760 5.564 -1.780 1.00 73.41 C ATOM 16 O ASN A 15 7.542 4.391 -1.502 1.00 64.30 O ATOM 17 CB ASN A 15 10.135 6.295 -2.111 1.00 5.32 C ATOM 18 CG ASN A 15 9.869 7.062 -3.403 1.00 5.02 C ATOM 19 OD1 ASN A 15 9.090 8.013 -3.424 1.00 43.34 O ATOM 20 ND2 ASN A 15 10.447 6.627 -4.480 1.00 33.12 N ATOM 0 H ASN A 15 9.208 4.616 0.063 1.00 62.30 H new ATOM 0 HA ASN A 15 8.652 7.328 -0.968 1.00 34.51 H new ATOM 0 HB2 ASN A 15 10.990 6.738 -1.600 1.00 5.32 H new ATOM 0 HB3 ASN A 15 10.406 5.267 -2.353 1.00 5.32 H new ATOM 0 HD21 ASN A 15 10.260 7.076 -5.376 1.00 33.12 H new ATOM 0 HD22 ASN A 15 11.089 5.836 -4.430 1.00 33.12 H new ATOM 27 N ARG A 16 7.030 6.239 -2.635 1.00 4.31 N ATOM 28 CA ARG A 16 5.804 5.687 -3.184 1.00 35.13 C ATOM 29 C ARG A 16 6.091 4.807 -4.407 1.00 5.13 C ATOM 30 O ARG A 16 5.215 4.126 -4.905 1.00 5.13 O ATOM 31 CB ARG A 16 4.803 6.800 -3.565 1.00 3.32 C ATOM 32 CG ARG A 16 4.684 7.997 -2.586 1.00 1.51 C ATOM 33 CD ARG A 16 4.644 7.615 -1.103 1.00 51.23 C ATOM 34 NE ARG A 16 3.778 6.475 -0.778 1.00 32.30 N ATOM 35 CZ ARG A 16 4.072 5.623 0.226 1.00 62.32 C ATOM 36 NH1 ARG A 16 5.064 5.915 1.050 1.00 11.11 N ATOM 37 NH2 ARG A 16 3.352 4.521 0.425 1.00 23.34 N ATOM 0 H ARG A 16 7.260 7.175 -2.970 1.00 4.31 H new ATOM 0 HA ARG A 16 5.356 5.071 -2.405 1.00 35.13 H new ATOM 0 HB2 ARG A 16 5.083 7.188 -4.544 1.00 3.32 H new ATOM 0 HB3 ARG A 16 3.817 6.348 -3.671 1.00 3.32 H new ATOM 0 HG2 ARG A 16 5.527 8.668 -2.751 1.00 1.51 H new ATOM 0 HG3 ARG A 16 3.780 8.556 -2.827 1.00 1.51 H new ATOM 0 HD2 ARG A 16 5.658 7.387 -0.775 1.00 51.23 H new ATOM 0 HD3 ARG A 16 4.311 8.480 -0.530 1.00 51.23 H new ATOM 0 HE ARG A 16 2.931 6.323 -1.326 1.00 32.30 H new ATOM 0 HH11 ARG A 16 5.596 6.776 0.922 1.00 11.11 H new ATOM 0 HH12 ARG A 16 5.297 5.280 1.813 1.00 11.11 H new ATOM 0 HH21 ARG A 16 2.564 4.310 -0.187 1.00 23.34 H new ATOM 0 HH22 ARG A 16 3.589 3.888 1.189 1.00 23.34 H new ATOM 51 N HIS A 17 7.332 4.825 -4.848 1.00 2.41 N ATOM 52 CA HIS A 17 7.780 4.116 -6.025 1.00 32.43 C ATOM 53 C HIS A 17 8.073 2.668 -5.706 1.00 73.34 C ATOM 54 O HIS A 17 8.148 1.885 -6.597 1.00 45.31 O ATOM 55 CB HIS A 17 8.974 4.815 -6.710 1.00 52.12 C ATOM 56 CG HIS A 17 9.438 4.176 -8.010 1.00 13.21 C ATOM 57 ND1 HIS A 17 10.701 3.694 -8.210 1.00 71.04 N ATOM 58 CD2 HIS A 17 8.788 3.998 -9.190 1.00 42.43 C ATOM 59 CE1 HIS A 17 10.791 3.274 -9.472 1.00 12.30 C ATOM 60 NE2 HIS A 17 9.658 3.435 -10.111 1.00 63.52 N ATOM 0 H HIS A 17 8.075 5.348 -4.384 1.00 2.41 H new ATOM 0 HA HIS A 17 6.964 4.134 -6.747 1.00 32.43 H new ATOM 0 HB2 HIS A 17 8.702 5.851 -6.910 1.00 52.12 H new ATOM 0 HB3 HIS A 17 9.812 4.834 -6.013 1.00 52.12 H new ATOM 0 HD2 HIS A 17 7.756 4.255 -9.380 1.00 42.43 H new ATOM 0 HE1 HIS A 17 11.684 2.855 -9.912 1.00 12.30 H new ATOM 0 HE2 HIS A 17 9.458 3.196 -11.082 1.00 63.52 H new ATOM 68 N ALA A 18 8.209 2.349 -4.388 1.00 23.10 N ATOM 69 CA ALA A 18 8.640 1.010 -3.821 1.00 33.40 C ATOM 70 C ALA A 18 8.011 -0.231 -4.476 1.00 41.13 C ATOM 71 O ALA A 18 8.443 -1.363 -4.221 1.00 12.12 O ATOM 72 CB ALA A 18 8.460 0.976 -2.322 1.00 21.13 C ATOM 0 H ALA A 18 8.018 3.031 -3.654 1.00 23.10 H new ATOM 0 HA ALA A 18 9.698 0.940 -4.072 1.00 33.40 H new ATOM 0 HB1 ALA A 18 8.776 0.005 -1.940 1.00 21.13 H new ATOM 0 HB2 ALA A 18 9.064 1.760 -1.865 1.00 21.13 H new ATOM 0 HB3 ALA A 18 7.410 1.138 -2.078 1.00 21.13 H new ATOM 78 N ALA A 19 6.962 -0.035 -5.251 1.00 22.25 N ATOM 79 CA ALA A 19 6.459 -1.064 -6.138 1.00 51.23 C ATOM 80 C ALA A 19 7.602 -1.487 -7.115 1.00 11.45 C ATOM 81 O ALA A 19 7.545 -2.553 -7.727 1.00 44.35 O ATOM 82 CB ALA A 19 5.257 -0.547 -6.916 1.00 74.01 C ATOM 0 H ALA A 19 6.437 0.839 -5.283 1.00 22.25 H new ATOM 0 HA ALA A 19 6.138 -1.928 -5.556 1.00 51.23 H new ATOM 0 HB1 ALA A 19 4.889 -1.330 -7.579 1.00 74.01 H new ATOM 0 HB2 ALA A 19 4.469 -0.260 -6.220 1.00 74.01 H new ATOM 0 HB3 ALA A 19 5.552 0.320 -7.507 1.00 74.01 H new ATOM 88 N ASP A 20 8.622 -0.601 -7.252 1.00 3.43 N ATOM 89 CA ASP A 20 9.860 -0.861 -7.998 1.00 1.03 C ATOM 90 C ASP A 20 10.464 -2.219 -7.617 1.00 71.11 C ATOM 91 O ASP A 20 10.864 -3.001 -8.484 1.00 42.11 O ATOM 92 CB ASP A 20 10.926 0.275 -7.806 1.00 73.30 C ATOM 93 CG ASP A 20 11.196 0.729 -6.355 1.00 21.40 C ATOM 94 OD1 ASP A 20 11.201 -0.101 -5.434 1.00 74.35 O ATOM 95 OD2 ASP A 20 11.417 1.951 -6.143 1.00 4.13 O ATOM 0 H ASP A 20 8.597 0.330 -6.835 1.00 3.43 H new ATOM 0 HA ASP A 20 9.584 -0.880 -9.052 1.00 1.03 H new ATOM 0 HB2 ASP A 20 11.867 -0.064 -8.238 1.00 73.30 H new ATOM 0 HB3 ASP A 20 10.606 1.144 -8.381 1.00 73.30 H new ATOM 100 N TYR A 21 10.503 -2.488 -6.314 1.00 2.11 N ATOM 101 CA TYR A 21 10.939 -3.754 -5.734 1.00 25.33 C ATOM 102 C TYR A 21 10.222 -4.955 -6.347 1.00 4.42 C ATOM 103 O TYR A 21 10.817 -6.007 -6.485 1.00 30.22 O ATOM 104 CB TYR A 21 10.765 -3.723 -4.199 1.00 51.22 C ATOM 105 CG TYR A 21 10.827 -5.083 -3.525 1.00 61.30 C ATOM 106 CD1 TYR A 21 11.961 -5.885 -3.606 1.00 12.24 C ATOM 107 CD2 TYR A 21 9.729 -5.574 -2.833 1.00 42.52 C ATOM 108 CE1 TYR A 21 11.990 -7.130 -3.018 1.00 41.02 C ATOM 109 CE2 TYR A 21 9.758 -6.813 -2.236 1.00 4.34 C ATOM 110 CZ TYR A 21 10.888 -7.586 -2.331 1.00 22.04 C ATOM 111 OH TYR A 21 10.910 -8.828 -1.756 1.00 42.55 O ATOM 0 H TYR A 21 10.222 -1.806 -5.609 1.00 2.11 H new ATOM 0 HA TYR A 21 11.997 -3.876 -5.968 1.00 25.33 H new ATOM 0 HB2 TYR A 21 11.539 -3.086 -3.772 1.00 51.22 H new ATOM 0 HB3 TYR A 21 9.806 -3.260 -3.965 1.00 51.22 H new ATOM 0 HD1 TYR A 21 12.830 -5.526 -4.137 1.00 12.24 H new ATOM 0 HD2 TYR A 21 8.835 -4.972 -2.762 1.00 42.52 H new ATOM 0 HE1 TYR A 21 12.874 -7.746 -3.096 1.00 41.02 H new ATOM 0 HE2 TYR A 21 8.896 -7.175 -1.695 1.00 4.34 H new ATOM 0 HH TYR A 21 11.622 -8.865 -1.084 1.00 42.55 H new ATOM 121 N GLN A 22 8.973 -4.796 -6.736 1.00 62.32 N ATOM 122 CA GLN A 22 8.242 -5.904 -7.365 1.00 33.32 C ATOM 123 C GLN A 22 8.913 -6.245 -8.682 1.00 73.01 C ATOM 124 O GLN A 22 9.269 -7.409 -8.922 1.00 51.54 O ATOM 125 CB GLN A 22 6.741 -5.553 -7.541 1.00 22.30 C ATOM 126 CG GLN A 22 5.818 -6.646 -8.144 1.00 3.31 C ATOM 127 CD GLN A 22 5.873 -6.783 -9.681 1.00 24.01 C ATOM 128 OE1 GLN A 22 5.148 -6.098 -10.383 1.00 25.50 O ATOM 129 NE2 GLN A 22 6.690 -7.681 -10.193 1.00 34.13 N ATOM 0 H GLN A 22 8.441 -3.931 -6.635 1.00 62.32 H new ATOM 0 HA GLN A 22 8.274 -6.783 -6.721 1.00 33.32 H new ATOM 0 HB2 GLN A 22 6.343 -5.277 -6.565 1.00 22.30 H new ATOM 0 HB3 GLN A 22 6.674 -4.668 -8.174 1.00 22.30 H new ATOM 0 HG2 GLN A 22 6.082 -7.606 -7.701 1.00 3.31 H new ATOM 0 HG3 GLN A 22 4.790 -6.432 -7.852 1.00 3.31 H new ATOM 0 HE21 GLN A 22 7.284 -8.239 -9.579 1.00 34.13 H new ATOM 0 HE22 GLN A 22 6.728 -7.819 -11.203 1.00 34.13 H new ATOM 138 N GLN A 23 9.146 -5.214 -9.488 1.00 23.32 N ATOM 139 CA GLN A 23 9.790 -5.348 -10.790 1.00 40.24 C ATOM 140 C GLN A 23 11.210 -5.884 -10.596 1.00 45.24 C ATOM 141 O GLN A 23 11.684 -6.728 -11.346 1.00 14.11 O ATOM 142 CB GLN A 23 9.856 -3.974 -11.473 1.00 61.41 C ATOM 143 CG GLN A 23 8.503 -3.299 -11.731 1.00 5.25 C ATOM 144 CD GLN A 23 7.674 -4.002 -12.793 1.00 73.22 C ATOM 145 OE1 GLN A 23 7.792 -3.697 -13.988 1.00 50.14 O ATOM 146 NE2 GLN A 23 6.828 -4.910 -12.391 1.00 22.24 N ATOM 0 H GLN A 23 8.891 -4.254 -9.254 1.00 23.32 H new ATOM 0 HA GLN A 23 9.217 -6.036 -11.412 1.00 40.24 H new ATOM 0 HB2 GLN A 23 10.462 -3.310 -10.856 1.00 61.41 H new ATOM 0 HB3 GLN A 23 10.374 -4.086 -12.425 1.00 61.41 H new ATOM 0 HG2 GLN A 23 7.937 -3.267 -10.800 1.00 5.25 H new ATOM 0 HG3 GLN A 23 8.672 -2.266 -12.036 1.00 5.25 H new ATOM 0 HE21 GLN A 23 6.756 -5.137 -11.399 1.00 22.24 H new ATOM 0 HE22 GLN A 23 6.238 -5.393 -13.069 1.00 22.24 H new ATOM 155 N LEU A 24 11.864 -5.372 -9.569 1.00 0.23 N ATOM 156 CA LEU A 24 13.210 -5.768 -9.191 1.00 21.21 C ATOM 157 C LEU A 24 13.245 -7.263 -8.848 1.00 43.33 C ATOM 158 O LEU A 24 13.923 -8.032 -9.510 1.00 51.35 O ATOM 159 CB LEU A 24 13.637 -4.952 -7.961 1.00 40.11 C ATOM 160 CG LEU A 24 15.059 -5.154 -7.443 1.00 32.24 C ATOM 161 CD1 LEU A 24 16.078 -4.604 -8.418 1.00 1.12 C ATOM 162 CD2 LEU A 24 15.216 -4.521 -6.073 1.00 61.54 C ATOM 0 H LEU A 24 11.467 -4.655 -8.962 1.00 0.23 H new ATOM 0 HA LEU A 24 13.891 -5.582 -10.022 1.00 21.21 H new ATOM 0 HB2 LEU A 24 13.512 -3.895 -8.198 1.00 40.11 H new ATOM 0 HB3 LEU A 24 12.947 -5.181 -7.149 1.00 40.11 H new ATOM 0 HG LEU A 24 15.240 -6.225 -7.349 1.00 32.24 H new ATOM 0 HD11 LEU A 24 17.082 -4.762 -8.023 1.00 1.12 H new ATOM 0 HD12 LEU A 24 15.980 -5.117 -9.375 1.00 1.12 H new ATOM 0 HD13 LEU A 24 15.907 -3.537 -8.559 1.00 1.12 H new ATOM 0 HD21 LEU A 24 16.235 -4.673 -5.717 1.00 61.54 H new ATOM 0 HD22 LEU A 24 15.011 -3.453 -6.140 1.00 61.54 H new ATOM 0 HD23 LEU A 24 14.515 -4.982 -5.377 1.00 61.54 H new ATOM 174 N ARG A 25 12.447 -7.650 -7.845 1.00 21.21 N ATOM 175 CA ARG A 25 12.391 -9.019 -7.292 1.00 30.22 C ATOM 176 C ARG A 25 12.245 -10.036 -8.415 1.00 22.11 C ATOM 177 O ARG A 25 12.992 -11.008 -8.508 1.00 11.04 O ATOM 178 CB ARG A 25 11.160 -9.146 -6.367 1.00 51.00 C ATOM 179 CG ARG A 25 11.419 -9.776 -5.005 1.00 31.20 C ATOM 180 CD ARG A 25 12.057 -11.132 -5.108 1.00 75.53 C ATOM 181 NE ARG A 25 12.393 -11.716 -3.805 1.00 52.33 N ATOM 182 CZ ARG A 25 12.167 -12.972 -3.426 1.00 11.14 C ATOM 183 NH1 ARG A 25 11.308 -13.730 -4.088 1.00 32.41 N ATOM 184 NH2 ARG A 25 12.771 -13.434 -2.348 1.00 22.22 N ATOM 0 H ARG A 25 11.805 -7.008 -7.381 1.00 21.21 H new ATOM 0 HA ARG A 25 13.311 -9.209 -6.739 1.00 30.22 H new ATOM 0 HB2 ARG A 25 10.740 -8.152 -6.213 1.00 51.00 H new ATOM 0 HB3 ARG A 25 10.401 -9.736 -6.881 1.00 51.00 H new ATOM 0 HG2 ARG A 25 12.063 -9.119 -4.421 1.00 31.20 H new ATOM 0 HG3 ARG A 25 10.477 -9.862 -4.463 1.00 31.20 H new ATOM 0 HD2 ARG A 25 11.381 -11.805 -5.636 1.00 75.53 H new ATOM 0 HD3 ARG A 25 12.964 -11.055 -5.708 1.00 75.53 H new ATOM 0 HE ARG A 25 12.842 -11.102 -3.125 1.00 52.33 H new ATOM 0 HH11 ARG A 25 10.813 -13.353 -4.896 1.00 32.41 H new ATOM 0 HH12 ARG A 25 11.141 -14.691 -3.790 1.00 32.41 H new ATOM 0 HH21 ARG A 25 13.400 -12.831 -1.818 1.00 22.22 H new ATOM 0 HH22 ARG A 25 12.608 -14.394 -2.044 1.00 22.22 H new ATOM 198 N GLU A 26 11.283 -9.765 -9.244 1.00 44.43 N ATOM 199 CA GLU A 26 10.914 -10.542 -10.397 1.00 62.13 C ATOM 200 C GLU A 26 12.105 -10.748 -11.342 1.00 23.34 C ATOM 201 O GLU A 26 12.410 -11.869 -11.748 1.00 70.34 O ATOM 202 CB GLU A 26 9.838 -9.729 -11.111 1.00 71.22 C ATOM 203 CG GLU A 26 9.282 -10.312 -12.371 1.00 63.43 C ATOM 204 CD GLU A 26 8.598 -9.249 -13.219 1.00 23.33 C ATOM 205 OE1 GLU A 26 7.624 -8.626 -12.751 1.00 1.25 O ATOM 206 OE2 GLU A 26 9.092 -8.974 -14.346 1.00 51.52 O ATOM 0 H GLU A 26 10.693 -8.941 -9.128 1.00 44.43 H new ATOM 0 HA GLU A 26 10.568 -11.532 -10.099 1.00 62.13 H new ATOM 0 HB2 GLU A 26 9.013 -9.571 -10.416 1.00 71.22 H new ATOM 0 HB3 GLU A 26 10.251 -8.747 -11.343 1.00 71.22 H new ATOM 0 HG2 GLU A 26 10.085 -10.776 -12.944 1.00 63.43 H new ATOM 0 HG3 GLU A 26 8.569 -11.099 -12.126 1.00 63.43 H new ATOM 213 N ARG A 27 12.778 -9.671 -11.656 1.00 2.44 N ATOM 214 CA ARG A 27 13.811 -9.693 -12.652 1.00 73.21 C ATOM 215 C ARG A 27 15.125 -10.195 -12.149 1.00 64.34 C ATOM 216 O ARG A 27 15.945 -10.660 -12.930 1.00 31.35 O ATOM 217 CB ARG A 27 13.840 -8.385 -13.373 1.00 5.43 C ATOM 218 CG ARG A 27 12.495 -8.262 -14.013 1.00 22.51 C ATOM 219 CD ARG A 27 12.183 -6.974 -14.627 1.00 45.53 C ATOM 220 NE ARG A 27 10.745 -6.976 -14.870 1.00 54.44 N ATOM 221 CZ ARG A 27 9.936 -5.955 -14.980 1.00 2.02 C ATOM 222 NH1 ARG A 27 10.397 -4.710 -15.099 1.00 75.25 N ATOM 223 NH2 ARG A 27 8.638 -6.190 -14.968 1.00 14.54 N ATOM 0 H ARG A 27 12.624 -8.758 -11.228 1.00 2.44 H new ATOM 0 HA ARG A 27 13.567 -10.449 -13.399 1.00 73.21 H new ATOM 0 HB2 ARG A 27 14.026 -7.560 -12.685 1.00 5.43 H new ATOM 0 HB3 ARG A 27 14.635 -8.364 -14.119 1.00 5.43 H new ATOM 0 HG2 ARG A 27 12.408 -9.035 -14.777 1.00 22.51 H new ATOM 0 HG3 ARG A 27 11.737 -8.473 -13.259 1.00 22.51 H new ATOM 0 HD2 ARG A 27 12.466 -6.151 -13.970 1.00 45.53 H new ATOM 0 HD3 ARG A 27 12.735 -6.843 -15.558 1.00 45.53 H new ATOM 0 HE ARG A 27 10.314 -7.895 -14.967 1.00 54.44 H new ATOM 0 HH11 ARG A 27 11.402 -4.537 -15.106 1.00 75.25 H new ATOM 0 HH12 ARG A 27 9.745 -3.930 -15.183 1.00 75.25 H new ATOM 0 HH21 ARG A 27 8.294 -7.146 -14.875 1.00 14.54 H new ATOM 0 HH22 ARG A 27 7.979 -5.416 -15.052 1.00 14.54 H new ATOM 237 N LEU A 28 15.314 -10.142 -10.834 1.00 14.41 N ATOM 238 CA LEU A 28 16.427 -10.802 -10.210 1.00 43.11 C ATOM 239 C LEU A 28 16.344 -12.263 -10.513 1.00 71.51 C ATOM 240 O LEU A 28 17.235 -12.817 -11.100 1.00 45.13 O ATOM 241 CB LEU A 28 16.396 -10.592 -8.708 1.00 24.13 C ATOM 242 CG LEU A 28 17.209 -9.434 -8.173 1.00 2.44 C ATOM 243 CD1 LEU A 28 18.694 -9.712 -8.304 1.00 62.50 C ATOM 244 CD2 LEU A 28 16.862 -8.153 -8.870 1.00 44.12 C ATOM 0 H LEU A 28 14.701 -9.644 -10.188 1.00 14.41 H new ATOM 0 HA LEU A 28 17.358 -10.386 -10.596 1.00 43.11 H new ATOM 0 HB2 LEU A 28 15.359 -10.450 -8.404 1.00 24.13 H new ATOM 0 HB3 LEU A 28 16.746 -11.506 -8.228 1.00 24.13 H new ATOM 0 HG LEU A 28 16.964 -9.324 -7.117 1.00 2.44 H new ATOM 0 HD11 LEU A 28 19.259 -8.866 -7.913 1.00 62.50 H new ATOM 0 HD12 LEU A 28 18.947 -10.609 -7.739 1.00 62.50 H new ATOM 0 HD13 LEU A 28 18.945 -9.861 -9.354 1.00 62.50 H new ATOM 0 HD21 LEU A 28 17.464 -7.342 -8.461 1.00 44.12 H new ATOM 0 HD22 LEU A 28 17.064 -8.253 -9.937 1.00 44.12 H new ATOM 0 HD23 LEU A 28 15.805 -7.932 -8.720 1.00 44.12 H new ATOM 256 N ILE A 29 15.214 -12.851 -10.144 1.00 3.30 N ATOM 257 CA ILE A 29 14.882 -14.272 -10.381 1.00 62.21 C ATOM 258 C ILE A 29 15.244 -14.763 -11.784 1.00 41.55 C ATOM 259 O ILE A 29 15.743 -15.876 -11.949 1.00 53.14 O ATOM 260 CB ILE A 29 13.361 -14.531 -10.053 1.00 73.42 C ATOM 261 CG1 ILE A 29 13.192 -14.895 -8.583 1.00 60.23 C ATOM 262 CG2 ILE A 29 12.718 -15.587 -10.949 1.00 1.01 C ATOM 263 CD1 ILE A 29 13.796 -13.910 -7.633 1.00 52.42 C ATOM 0 H ILE A 29 14.473 -12.348 -9.656 1.00 3.30 H new ATOM 0 HA ILE A 29 15.503 -14.859 -9.704 1.00 62.21 H new ATOM 0 HB ILE A 29 12.835 -13.599 -10.260 1.00 73.42 H new ATOM 0 HG12 ILE A 29 12.128 -14.989 -8.364 1.00 60.23 H new ATOM 0 HG13 ILE A 29 13.641 -15.873 -8.409 1.00 60.23 H new ATOM 0 HG21 ILE A 29 11.673 -15.715 -10.668 1.00 1.01 H new ATOM 0 HG22 ILE A 29 12.778 -15.267 -11.989 1.00 1.01 H new ATOM 0 HG23 ILE A 29 13.244 -16.534 -10.830 1.00 1.01 H new ATOM 0 HD11 ILE A 29 13.631 -14.244 -6.609 1.00 52.42 H new ATOM 0 HD12 ILE A 29 14.867 -13.832 -7.821 1.00 52.42 H new ATOM 0 HD13 ILE A 29 13.331 -12.935 -7.776 1.00 52.42 H new ATOM 275 N GLN A 30 15.047 -13.913 -12.756 1.00 62.12 N ATOM 276 CA GLN A 30 15.291 -14.256 -14.134 1.00 10.44 C ATOM 277 C GLN A 30 16.787 -14.432 -14.400 1.00 44.51 C ATOM 278 O GLN A 30 17.195 -15.346 -15.106 1.00 41.03 O ATOM 279 CB GLN A 30 14.691 -13.183 -15.033 1.00 23.12 C ATOM 280 CG GLN A 30 13.235 -12.907 -14.690 1.00 41.41 C ATOM 281 CD GLN A 30 12.549 -11.912 -15.606 1.00 51.13 C ATOM 282 OE1 GLN A 30 11.552 -11.241 -15.086 1.00 64.54 O flip ATOM 283 NE2 GLN A 30 12.892 -11.775 -16.769 1.00 51.20 N flip ATOM 0 H GLN A 30 14.712 -12.960 -12.615 1.00 62.12 H new ATOM 0 HA GLN A 30 14.813 -15.210 -14.356 1.00 10.44 H new ATOM 0 HB2 GLN A 30 15.268 -12.263 -14.936 1.00 23.12 H new ATOM 0 HB3 GLN A 30 14.766 -13.498 -16.074 1.00 23.12 H new ATOM 0 HG2 GLN A 30 12.684 -13.847 -14.718 1.00 41.41 H new ATOM 0 HG3 GLN A 30 13.180 -12.536 -13.666 1.00 41.41 H new ATOM 0 HE21 GLN A 30 13.674 -12.316 -17.137 1.00 51.20 H new ATOM 0 HE22 GLN A 30 12.397 -11.119 -17.373 1.00 51.20 H new ATOM 292 N GLU A 31 17.593 -13.570 -13.812 1.00 21.33 N ATOM 293 CA GLU A 31 19.034 -13.636 -13.988 1.00 54.50 C ATOM 294 C GLU A 31 19.656 -14.588 -12.987 1.00 25.41 C ATOM 295 O GLU A 31 20.701 -15.182 -13.242 1.00 4.02 O ATOM 296 CB GLU A 31 19.656 -12.260 -13.854 1.00 1.34 C ATOM 297 CG GLU A 31 18.947 -11.229 -14.685 1.00 45.20 C ATOM 298 CD GLU A 31 19.734 -9.974 -14.850 1.00 21.53 C ATOM 299 OE1 GLU A 31 20.617 -9.929 -15.749 1.00 15.41 O ATOM 300 OE2 GLU A 31 19.516 -9.012 -14.110 1.00 44.23 O ATOM 0 H GLU A 31 17.275 -12.813 -13.206 1.00 21.33 H new ATOM 0 HA GLU A 31 19.231 -14.011 -14.992 1.00 54.50 H new ATOM 0 HB2 GLU A 31 19.637 -11.956 -12.808 1.00 1.34 H new ATOM 0 HB3 GLU A 31 20.703 -12.307 -14.153 1.00 1.34 H new ATOM 0 HG2 GLU A 31 18.731 -11.648 -15.668 1.00 45.20 H new ATOM 0 HG3 GLU A 31 17.989 -10.993 -14.222 1.00 45.20 H new ATOM 307 N LEU A 32 18.999 -14.723 -11.841 1.00 65.12 N ATOM 308 CA LEU A 32 19.450 -15.590 -10.785 1.00 44.41 C ATOM 309 C LEU A 32 19.212 -17.049 -11.157 1.00 42.45 C ATOM 310 O LEU A 32 19.821 -17.953 -10.584 1.00 60.12 O ATOM 311 CB LEU A 32 18.751 -15.230 -9.454 1.00 55.44 C ATOM 312 CG LEU A 32 18.971 -13.805 -8.959 1.00 65.11 C ATOM 313 CD1 LEU A 32 18.344 -13.587 -7.613 1.00 62.15 C ATOM 314 CD2 LEU A 32 20.425 -13.410 -8.951 1.00 24.12 C ATOM 0 H LEU A 32 18.134 -14.226 -11.627 1.00 65.12 H new ATOM 0 HA LEU A 32 20.522 -15.448 -10.649 1.00 44.41 H new ATOM 0 HB2 LEU A 32 17.680 -15.394 -9.571 1.00 55.44 H new ATOM 0 HB3 LEU A 32 19.097 -15.920 -8.684 1.00 55.44 H new ATOM 0 HG LEU A 32 18.472 -13.152 -9.675 1.00 65.11 H new ATOM 0 HD11 LEU A 32 18.521 -12.561 -7.291 1.00 62.15 H new ATOM 0 HD12 LEU A 32 17.271 -13.767 -7.678 1.00 62.15 H new ATOM 0 HD13 LEU A 32 18.784 -14.274 -6.891 1.00 62.15 H new ATOM 0 HD21 LEU A 32 20.522 -12.386 -8.590 1.00 24.12 H new ATOM 0 HD22 LEU A 32 20.981 -14.080 -8.295 1.00 24.12 H new ATOM 0 HD23 LEU A 32 20.826 -13.477 -9.962 1.00 24.12 H new ATOM 326 N ASN A 33 18.315 -17.236 -12.132 1.00 5.53 N ATOM 327 CA ASN A 33 17.945 -18.533 -12.713 1.00 53.44 C ATOM 328 C ASN A 33 17.453 -19.497 -11.640 1.00 42.41 C ATOM 329 O ASN A 33 18.067 -20.534 -11.350 1.00 62.13 O ATOM 330 CB ASN A 33 19.094 -19.141 -13.548 1.00 13.33 C ATOM 331 CG ASN A 33 18.705 -20.422 -14.286 1.00 64.11 C ATOM 332 OD1 ASN A 33 17.567 -20.608 -14.699 1.00 34.13 O ATOM 333 ND2 ASN A 33 19.655 -21.313 -14.450 1.00 64.25 N ATOM 0 H ASN A 33 17.807 -16.459 -12.554 1.00 5.53 H new ATOM 0 HA ASN A 33 17.118 -18.357 -13.401 1.00 53.44 H new ATOM 0 HB2 ASN A 33 19.434 -18.403 -14.274 1.00 13.33 H new ATOM 0 HB3 ASN A 33 19.937 -19.353 -12.890 1.00 13.33 H new ATOM 0 HD21 ASN A 33 19.455 -22.189 -14.933 1.00 64.25 H new ATOM 0 HD22 ASN A 33 20.593 -21.129 -14.095 1.00 64.25 H new ATOM 340 N LEU A 34 16.381 -19.100 -11.010 1.00 31.04 N ATOM 341 CA LEU A 34 15.763 -19.841 -9.967 1.00 22.52 C ATOM 342 C LEU A 34 14.339 -19.376 -9.788 1.00 24.31 C ATOM 343 O LEU A 34 13.873 -18.519 -10.528 1.00 5.14 O ATOM 344 CB LEU A 34 16.584 -19.747 -8.667 1.00 40.25 C ATOM 345 CG LEU A 34 17.161 -18.380 -8.269 1.00 52.25 C ATOM 346 CD1 LEU A 34 16.077 -17.364 -7.989 1.00 71.23 C ATOM 347 CD2 LEU A 34 18.071 -18.541 -7.074 1.00 10.33 C ATOM 0 H LEU A 34 15.906 -18.223 -11.222 1.00 31.04 H new ATOM 0 HA LEU A 34 15.735 -20.896 -10.238 1.00 22.52 H new ATOM 0 HB2 LEU A 34 15.952 -20.093 -7.849 1.00 40.25 H new ATOM 0 HB3 LEU A 34 17.415 -20.448 -8.746 1.00 40.25 H new ATOM 0 HG LEU A 34 17.737 -17.999 -9.112 1.00 52.25 H new ATOM 0 HD11 LEU A 34 16.532 -16.413 -7.712 1.00 71.23 H new ATOM 0 HD12 LEU A 34 15.467 -17.227 -8.882 1.00 71.23 H new ATOM 0 HD13 LEU A 34 15.449 -17.718 -7.171 1.00 71.23 H new ATOM 0 HD21 LEU A 34 18.479 -17.570 -6.794 1.00 10.33 H new ATOM 0 HD22 LEU A 34 17.505 -18.952 -6.238 1.00 10.33 H new ATOM 0 HD23 LEU A 34 18.887 -19.218 -7.327 1.00 10.33 H new ATOM 359 N THR A 35 13.651 -19.918 -8.829 1.00 21.24 N ATOM 360 CA THR A 35 12.314 -19.527 -8.578 1.00 2.45 C ATOM 361 C THR A 35 12.287 -18.535 -7.412 1.00 44.11 C ATOM 362 O THR A 35 13.127 -18.616 -6.513 1.00 75.20 O ATOM 363 CB THR A 35 11.453 -20.769 -8.272 1.00 24.52 C ATOM 364 OG1 THR A 35 12.127 -21.589 -7.308 1.00 45.35 O ATOM 365 CG2 THR A 35 11.195 -21.577 -9.537 1.00 44.43 C ATOM 0 H THR A 35 14.008 -20.641 -8.205 1.00 21.24 H new ATOM 0 HA THR A 35 11.899 -19.038 -9.459 1.00 2.45 H new ATOM 0 HB THR A 35 10.494 -20.438 -7.874 1.00 24.52 H new ATOM 0 HG1 THR A 35 11.581 -22.378 -7.111 1.00 45.35 H new ATOM 0 HG21 THR A 35 10.586 -22.448 -9.295 1.00 44.43 H new ATOM 0 HG22 THR A 35 10.670 -20.957 -10.264 1.00 44.43 H new ATOM 0 HG23 THR A 35 12.145 -21.905 -9.959 1.00 44.43 H new ATOM 373 N PRO A 36 11.307 -17.601 -7.384 1.00 54.31 N ATOM 374 CA PRO A 36 11.187 -16.554 -6.327 1.00 32.13 C ATOM 375 C PRO A 36 10.924 -17.124 -4.928 1.00 3.14 C ATOM 376 O PRO A 36 10.859 -16.392 -3.945 1.00 22.31 O ATOM 377 CB PRO A 36 9.980 -15.718 -6.786 1.00 42.14 C ATOM 378 CG PRO A 36 9.217 -16.611 -7.701 1.00 72.04 C ATOM 379 CD PRO A 36 10.236 -17.463 -8.395 1.00 43.24 C ATOM 0 HA PRO A 36 12.116 -15.992 -6.227 1.00 32.13 H new ATOM 0 HB2 PRO A 36 9.370 -15.408 -5.938 1.00 42.14 H new ATOM 0 HB3 PRO A 36 10.300 -14.810 -7.297 1.00 42.14 H new ATOM 0 HG2 PRO A 36 8.509 -17.225 -7.145 1.00 72.04 H new ATOM 0 HG3 PRO A 36 8.639 -16.030 -8.420 1.00 72.04 H new ATOM 0 HD2 PRO A 36 9.824 -18.431 -8.680 1.00 43.24 H new ATOM 0 HD3 PRO A 36 10.602 -16.991 -9.307 1.00 43.24 H new ATOM 387 N GLN A 37 10.794 -18.400 -4.875 1.00 63.42 N ATOM 388 CA GLN A 37 10.439 -19.109 -3.659 1.00 13.22 C ATOM 389 C GLN A 37 11.678 -19.673 -3.002 1.00 71.41 C ATOM 390 O GLN A 37 11.752 -19.776 -1.796 1.00 25.34 O ATOM 391 CB GLN A 37 9.429 -20.223 -3.931 1.00 24.13 C ATOM 392 CG GLN A 37 9.949 -21.267 -4.868 1.00 41.12 C ATOM 393 CD GLN A 37 9.034 -22.447 -5.019 1.00 20.53 C ATOM 394 OE1 GLN A 37 8.174 -22.469 -5.882 1.00 13.44 O ATOM 395 NE2 GLN A 37 9.228 -23.440 -4.193 1.00 51.25 N ATOM 0 H GLN A 37 10.930 -19.010 -5.681 1.00 63.42 H new ATOM 0 HA GLN A 37 9.970 -18.395 -2.983 1.00 13.22 H new ATOM 0 HB2 GLN A 37 9.153 -20.694 -2.988 1.00 24.13 H new ATOM 0 HB3 GLN A 37 8.520 -19.788 -4.348 1.00 24.13 H new ATOM 0 HG2 GLN A 37 10.112 -20.816 -5.847 1.00 41.12 H new ATOM 0 HG3 GLN A 37 10.919 -21.613 -4.511 1.00 41.12 H new ATOM 0 HE21 GLN A 37 9.960 -23.379 -3.485 1.00 51.25 H new ATOM 0 HE22 GLN A 37 8.648 -24.276 -4.256 1.00 51.25 H new ATOM 404 N GLN A 38 12.687 -19.983 -3.815 1.00 44.51 N ATOM 405 CA GLN A 38 13.918 -20.548 -3.302 1.00 4.24 C ATOM 406 C GLN A 38 14.919 -19.431 -3.236 1.00 42.12 C ATOM 407 O GLN A 38 16.124 -19.642 -3.193 1.00 61.54 O ATOM 408 CB GLN A 38 14.451 -21.644 -4.236 1.00 65.35 C ATOM 409 CG GLN A 38 13.493 -22.797 -4.520 1.00 32.33 C ATOM 410 CD GLN A 38 12.947 -23.475 -3.275 1.00 63.21 C ATOM 411 OE1 GLN A 38 11.886 -23.123 -2.774 1.00 70.31 O ATOM 412 NE2 GLN A 38 13.667 -24.437 -2.765 1.00 42.41 N ATOM 0 H GLN A 38 12.669 -19.850 -4.826 1.00 44.51 H new ATOM 0 HA GLN A 38 13.743 -20.996 -2.324 1.00 4.24 H new ATOM 0 HB2 GLN A 38 14.727 -21.184 -5.185 1.00 65.35 H new ATOM 0 HB3 GLN A 38 15.363 -22.053 -3.802 1.00 65.35 H new ATOM 0 HG2 GLN A 38 12.658 -22.423 -5.112 1.00 32.33 H new ATOM 0 HG3 GLN A 38 14.008 -23.540 -5.129 1.00 32.33 H new ATOM 0 HE21 GLN A 38 14.546 -24.706 -3.207 1.00 42.41 H new ATOM 0 HE22 GLN A 38 13.351 -24.920 -1.924 1.00 42.41 H new ATOM 421 N LEU A 39 14.394 -18.243 -3.206 1.00 3.44 N ATOM 422 CA LEU A 39 15.175 -17.085 -3.282 1.00 60.44 C ATOM 423 C LEU A 39 15.010 -16.285 -2.025 1.00 43.33 C ATOM 424 O LEU A 39 13.897 -15.930 -1.605 1.00 0.24 O ATOM 425 CB LEU A 39 14.820 -16.345 -4.553 1.00 61.34 C ATOM 426 CG LEU A 39 15.695 -15.191 -5.020 1.00 10.22 C ATOM 427 CD1 LEU A 39 15.405 -13.878 -4.307 1.00 4.35 C ATOM 428 CD2 LEU A 39 17.173 -15.524 -4.911 1.00 64.03 C ATOM 0 H LEU A 39 13.392 -18.068 -3.126 1.00 3.44 H new ATOM 0 HA LEU A 39 16.239 -17.315 -3.344 1.00 60.44 H new ATOM 0 HB2 LEU A 39 14.789 -17.078 -5.359 1.00 61.34 H new ATOM 0 HB3 LEU A 39 13.808 -15.959 -4.434 1.00 61.34 H new ATOM 0 HG LEU A 39 15.438 -15.049 -6.070 1.00 10.22 H new ATOM 0 HD11 LEU A 39 16.066 -13.101 -4.691 1.00 4.35 H new ATOM 0 HD12 LEU A 39 14.368 -13.591 -4.481 1.00 4.35 H new ATOM 0 HD13 LEU A 39 15.573 -14.000 -3.237 1.00 4.35 H new ATOM 0 HD21 LEU A 39 17.764 -14.675 -5.254 1.00 64.03 H new ATOM 0 HD22 LEU A 39 17.421 -15.743 -3.872 1.00 64.03 H new ATOM 0 HD23 LEU A 39 17.396 -16.394 -5.528 1.00 64.03 H new ATOM 440 N HIS A 40 16.121 -16.004 -1.488 1.00 73.03 N ATOM 441 CA HIS A 40 16.326 -15.443 -0.185 1.00 11.33 C ATOM 442 C HIS A 40 16.255 -13.924 -0.092 1.00 55.24 C ATOM 443 O HIS A 40 17.008 -13.206 -0.755 1.00 1.44 O ATOM 444 CB HIS A 40 17.675 -15.945 0.349 1.00 42.32 C ATOM 445 CG HIS A 40 18.726 -16.206 -0.711 1.00 31.13 C ATOM 446 ND1 HIS A 40 19.532 -15.243 -1.251 1.00 13.25 N ATOM 447 CD2 HIS A 40 19.045 -17.361 -1.348 1.00 74.44 C ATOM 448 CE1 HIS A 40 20.293 -15.825 -2.187 1.00 51.10 C ATOM 449 NE2 HIS A 40 20.036 -17.107 -2.281 1.00 71.10 N ATOM 0 H HIS A 40 17.002 -16.168 -1.976 1.00 73.03 H new ATOM 0 HA HIS A 40 15.488 -15.782 0.424 1.00 11.33 H new ATOM 0 HB2 HIS A 40 18.066 -15.211 1.054 1.00 42.32 H new ATOM 0 HB3 HIS A 40 17.508 -16.866 0.908 1.00 42.32 H new ATOM 0 HD1 HIS A 40 19.551 -14.258 -0.988 1.00 13.25 H new ATOM 0 HD2 HIS A 40 18.597 -18.325 -1.157 1.00 74.44 H new ATOM 0 HE1 HIS A 40 21.025 -15.305 -2.787 1.00 51.10 H new ATOM 457 N GLU A 41 15.323 -13.461 0.731 1.00 11.41 N ATOM 458 CA GLU A 41 15.221 -12.054 1.110 1.00 74.15 C ATOM 459 C GLU A 41 16.124 -11.775 2.291 1.00 44.21 C ATOM 460 O GLU A 41 16.495 -10.639 2.550 1.00 70.44 O ATOM 461 CB GLU A 41 13.791 -11.654 1.472 1.00 50.31 C ATOM 462 CG GLU A 41 12.867 -11.554 0.293 1.00 44.42 C ATOM 463 CD GLU A 41 13.404 -10.606 -0.751 1.00 55.02 C ATOM 464 OE1 GLU A 41 13.226 -9.395 -0.616 1.00 0.10 O ATOM 465 OE2 GLU A 41 14.001 -11.088 -1.732 1.00 54.15 O ATOM 0 H GLU A 41 14.611 -14.053 1.158 1.00 11.41 H new ATOM 0 HA GLU A 41 15.527 -11.465 0.246 1.00 74.15 H new ATOM 0 HB2 GLU A 41 13.388 -12.383 2.175 1.00 50.31 H new ATOM 0 HB3 GLU A 41 13.813 -10.693 1.986 1.00 50.31 H new ATOM 0 HG2 GLU A 41 12.729 -12.542 -0.147 1.00 44.42 H new ATOM 0 HG3 GLU A 41 11.886 -11.213 0.626 1.00 44.42 H new ATOM 472 N GLU A 42 16.421 -12.824 3.015 1.00 22.35 N ATOM 473 CA GLU A 42 17.248 -12.782 4.207 1.00 74.13 C ATOM 474 C GLU A 42 18.671 -13.286 3.951 1.00 21.44 C ATOM 475 O GLU A 42 19.637 -12.736 4.490 1.00 54.43 O ATOM 476 CB GLU A 42 16.587 -13.538 5.404 1.00 72.02 C ATOM 477 CG GLU A 42 15.621 -14.697 5.042 1.00 50.24 C ATOM 478 CD GLU A 42 16.147 -15.623 3.972 1.00 51.15 C ATOM 479 OE1 GLU A 42 17.017 -16.446 4.245 1.00 71.33 O ATOM 480 OE2 GLU A 42 15.744 -15.434 2.806 1.00 64.41 O ATOM 0 H GLU A 42 16.087 -13.761 2.790 1.00 22.35 H new ATOM 0 HA GLU A 42 17.327 -11.731 4.485 1.00 74.13 H new ATOM 0 HB2 GLU A 42 17.381 -13.940 6.034 1.00 72.02 H new ATOM 0 HB3 GLU A 42 16.039 -12.812 6.005 1.00 72.02 H new ATOM 0 HG2 GLU A 42 15.414 -15.278 5.941 1.00 50.24 H new ATOM 0 HG3 GLU A 42 14.673 -14.275 4.709 1.00 50.24 H new ATOM 487 N SER A 43 18.807 -14.315 3.147 1.00 41.31 N ATOM 488 CA SER A 43 20.108 -14.831 2.842 1.00 52.43 C ATOM 489 C SER A 43 20.767 -14.020 1.720 1.00 32.53 C ATOM 490 O SER A 43 20.093 -13.358 0.916 1.00 63.11 O ATOM 491 CB SER A 43 20.060 -16.327 2.528 1.00 73.33 C ATOM 492 OG SER A 43 19.542 -17.062 3.629 1.00 70.11 O ATOM 0 H SER A 43 18.033 -14.805 2.698 1.00 41.31 H new ATOM 0 HA SER A 43 20.732 -14.722 3.729 1.00 52.43 H new ATOM 0 HB2 SER A 43 19.440 -16.498 1.648 1.00 73.33 H new ATOM 0 HB3 SER A 43 21.061 -16.684 2.287 1.00 73.33 H new ATOM 0 HG SER A 43 18.563 -17.050 3.599 1.00 70.11 H new ATOM 498 N ASN A 44 22.070 -14.108 1.662 1.00 43.14 N ATOM 499 CA ASN A 44 22.894 -13.276 0.793 1.00 21.32 C ATOM 500 C ASN A 44 22.668 -13.561 -0.691 1.00 71.03 C ATOM 501 O ASN A 44 22.909 -14.657 -1.160 1.00 33.01 O ATOM 502 CB ASN A 44 24.377 -13.455 1.166 1.00 54.42 C ATOM 503 CG ASN A 44 25.308 -12.428 0.547 1.00 4.04 C ATOM 504 OD1 ASN A 44 25.063 -11.917 -0.515 1.00 11.33 O ATOM 505 ND2 ASN A 44 26.388 -12.125 1.224 1.00 44.12 N ATOM 0 H ASN A 44 22.608 -14.768 2.223 1.00 43.14 H new ATOM 0 HA ASN A 44 22.597 -12.239 0.951 1.00 21.32 H new ATOM 0 HB2 ASN A 44 24.474 -13.409 2.251 1.00 54.42 H new ATOM 0 HB3 ASN A 44 24.699 -14.450 0.859 1.00 54.42 H new ATOM 0 HD21 ASN A 44 27.047 -11.440 0.853 1.00 44.12 H new ATOM 0 HD22 ASN A 44 26.570 -12.574 2.122 1.00 44.12 H new ATOM 512 N LEU A 45 22.261 -12.526 -1.420 1.00 14.24 N ATOM 513 CA LEU A 45 21.995 -12.604 -2.861 1.00 34.32 C ATOM 514 C LEU A 45 23.245 -12.912 -3.677 1.00 12.55 C ATOM 515 O LEU A 45 23.152 -13.451 -4.765 1.00 11.22 O ATOM 516 CB LEU A 45 21.385 -11.313 -3.386 1.00 0.34 C ATOM 517 CG LEU A 45 20.024 -10.921 -2.848 1.00 45.44 C ATOM 518 CD1 LEU A 45 19.622 -9.587 -3.432 1.00 2.04 C ATOM 519 CD2 LEU A 45 18.979 -11.977 -3.182 1.00 54.10 C ATOM 0 H LEU A 45 22.104 -11.598 -1.027 1.00 14.24 H new ATOM 0 HA LEU A 45 21.289 -13.426 -2.980 1.00 34.32 H new ATOM 0 HB2 LEU A 45 22.079 -10.500 -3.173 1.00 0.34 H new ATOM 0 HB3 LEU A 45 21.310 -11.392 -4.471 1.00 0.34 H new ATOM 0 HG LEU A 45 20.085 -10.843 -1.763 1.00 45.44 H new ATOM 0 HD11 LEU A 45 18.643 -9.302 -3.047 1.00 2.04 H new ATOM 0 HD12 LEU A 45 20.356 -8.831 -3.153 1.00 2.04 H new ATOM 0 HD13 LEU A 45 19.576 -9.664 -4.518 1.00 2.04 H new ATOM 0 HD21 LEU A 45 18.012 -11.670 -2.784 1.00 54.10 H new ATOM 0 HD22 LEU A 45 18.907 -12.089 -4.264 1.00 54.10 H new ATOM 0 HD23 LEU A 45 19.269 -12.929 -2.737 1.00 54.10 H new ATOM 531 N ILE A 46 24.406 -12.596 -3.128 1.00 74.53 N ATOM 532 CA ILE A 46 25.690 -12.817 -3.812 1.00 15.41 C ATOM 533 C ILE A 46 26.013 -14.337 -3.789 1.00 53.21 C ATOM 534 O ILE A 46 26.992 -14.800 -4.350 1.00 54.31 O ATOM 535 CB ILE A 46 26.845 -11.978 -3.126 1.00 64.13 C ATOM 536 CG1 ILE A 46 26.433 -10.505 -2.941 1.00 51.22 C ATOM 537 CG2 ILE A 46 28.150 -12.015 -3.928 1.00 2.15 C ATOM 538 CD1 ILE A 46 26.131 -9.750 -4.223 1.00 11.13 C ATOM 0 H ILE A 46 24.496 -12.181 -2.201 1.00 74.53 H new ATOM 0 HA ILE A 46 25.617 -12.479 -4.846 1.00 15.41 H new ATOM 0 HB ILE A 46 27.013 -12.445 -2.155 1.00 64.13 H new ATOM 0 HG12 ILE A 46 25.551 -10.469 -2.301 1.00 51.22 H new ATOM 0 HG13 ILE A 46 27.232 -9.985 -2.412 1.00 51.22 H new ATOM 0 HG21 ILE A 46 28.909 -11.425 -3.415 1.00 2.15 H new ATOM 0 HG22 ILE A 46 28.492 -13.046 -4.019 1.00 2.15 H new ATOM 0 HG23 ILE A 46 27.978 -11.601 -4.921 1.00 2.15 H new ATOM 0 HD11 ILE A 46 25.851 -8.724 -3.984 1.00 11.13 H new ATOM 0 HD12 ILE A 46 27.016 -9.746 -4.860 1.00 11.13 H new ATOM 0 HD13 ILE A 46 25.309 -10.237 -4.747 1.00 11.13 H new ATOM 550 N GLN A 47 25.179 -15.092 -3.076 1.00 55.25 N ATOM 551 CA GLN A 47 25.288 -16.541 -3.044 1.00 55.31 C ATOM 552 C GLN A 47 24.465 -17.167 -4.175 1.00 23.43 C ATOM 553 O GLN A 47 24.543 -18.364 -4.434 1.00 11.53 O ATOM 554 CB GLN A 47 24.881 -17.084 -1.682 1.00 14.43 C ATOM 555 CG GLN A 47 25.792 -16.596 -0.565 1.00 63.32 C ATOM 556 CD GLN A 47 27.224 -17.089 -0.712 1.00 43.21 C ATOM 557 OE1 GLN A 47 27.589 -18.121 -0.179 1.00 14.54 O ATOM 558 NE2 GLN A 47 28.028 -16.376 -1.467 1.00 3.30 N ATOM 0 H GLN A 47 24.417 -14.717 -2.511 1.00 55.25 H new ATOM 0 HA GLN A 47 26.331 -16.816 -3.204 1.00 55.31 H new ATOM 0 HB2 GLN A 47 23.855 -16.785 -1.467 1.00 14.43 H new ATOM 0 HB3 GLN A 47 24.896 -18.174 -1.709 1.00 14.43 H new ATOM 0 HG2 GLN A 47 25.788 -15.506 -0.549 1.00 63.32 H new ATOM 0 HG3 GLN A 47 25.395 -16.930 0.393 1.00 63.32 H new ATOM 0 HE21 GLN A 47 27.692 -15.516 -1.900 1.00 3.30 H new ATOM 0 HE22 GLN A 47 28.989 -16.683 -1.621 1.00 3.30 H new ATOM 567 N ALA A 48 23.672 -16.335 -4.832 1.00 62.51 N ATOM 568 CA ALA A 48 22.931 -16.729 -6.012 1.00 53.14 C ATOM 569 C ALA A 48 23.720 -16.189 -7.206 1.00 42.14 C ATOM 570 O ALA A 48 24.780 -15.580 -7.002 1.00 24.24 O ATOM 571 CB ALA A 48 21.489 -16.170 -5.978 1.00 42.11 C ATOM 0 H ALA A 48 23.526 -15.364 -4.557 1.00 62.51 H new ATOM 0 HA ALA A 48 22.826 -17.812 -6.074 1.00 53.14 H new ATOM 0 HB1 ALA A 48 20.957 -16.482 -6.877 1.00 42.11 H new ATOM 0 HB2 ALA A 48 20.971 -16.552 -5.098 1.00 42.11 H new ATOM 0 HB3 ALA A 48 21.522 -15.081 -5.935 1.00 42.11 H new ATOM 577 N GLY A 49 23.255 -16.385 -8.426 1.00 74.31 N ATOM 578 CA GLY A 49 24.035 -15.888 -9.551 1.00 31.21 C ATOM 579 C GLY A 49 23.824 -14.404 -9.759 1.00 42.22 C ATOM 580 O GLY A 49 22.991 -13.995 -10.555 1.00 24.24 O ATOM 0 H GLY A 49 22.384 -16.861 -8.661 1.00 74.31 H new ATOM 0 HA2 GLY A 49 25.093 -16.085 -9.377 1.00 31.21 H new ATOM 0 HA3 GLY A 49 23.755 -16.427 -10.456 1.00 31.21 H new ATOM 584 N LEU A 50 24.611 -13.613 -9.074 1.00 2.34 N ATOM 585 CA LEU A 50 24.519 -12.196 -9.117 1.00 60.31 C ATOM 586 C LEU A 50 25.922 -11.611 -9.160 1.00 53.45 C ATOM 587 O LEU A 50 26.676 -11.700 -8.195 1.00 71.30 O ATOM 588 CB LEU A 50 23.752 -11.712 -7.876 1.00 51.45 C ATOM 589 CG LEU A 50 23.641 -10.207 -7.681 1.00 34.42 C ATOM 590 CD1 LEU A 50 22.872 -9.566 -8.817 1.00 20.21 C ATOM 591 CD2 LEU A 50 22.988 -9.882 -6.355 1.00 54.42 C ATOM 0 H LEU A 50 25.348 -13.957 -8.459 1.00 2.34 H new ATOM 0 HA LEU A 50 23.982 -11.868 -10.007 1.00 60.31 H new ATOM 0 HB2 LEU A 50 22.744 -12.124 -7.918 1.00 51.45 H new ATOM 0 HB3 LEU A 50 24.233 -12.134 -6.994 1.00 51.45 H new ATOM 0 HG LEU A 50 24.651 -9.798 -7.678 1.00 34.42 H new ATOM 0 HD11 LEU A 50 22.808 -8.491 -8.652 1.00 20.21 H new ATOM 0 HD12 LEU A 50 23.386 -9.758 -9.759 1.00 20.21 H new ATOM 0 HD13 LEU A 50 21.867 -9.987 -8.859 1.00 20.21 H new ATOM 0 HD21 LEU A 50 22.920 -8.800 -6.238 1.00 54.42 H new ATOM 0 HD22 LEU A 50 21.988 -10.314 -6.327 1.00 54.42 H new ATOM 0 HD23 LEU A 50 23.586 -10.297 -5.544 1.00 54.42 H new ATOM 603 N ASP A 51 26.260 -11.073 -10.294 1.00 51.13 N ATOM 604 CA ASP A 51 27.552 -10.462 -10.536 1.00 22.22 C ATOM 605 C ASP A 51 27.466 -8.951 -10.358 1.00 14.00 C ATOM 606 O ASP A 51 26.509 -8.431 -9.765 1.00 33.22 O ATOM 607 CB ASP A 51 28.041 -10.803 -11.952 1.00 24.12 C ATOM 608 CG ASP A 51 27.006 -10.493 -13.025 1.00 22.43 C ATOM 609 OD1 ASP A 51 26.569 -9.342 -13.142 1.00 45.11 O ATOM 610 OD2 ASP A 51 26.561 -11.423 -13.711 1.00 13.03 O ATOM 0 H ASP A 51 25.637 -11.041 -11.101 1.00 51.13 H new ATOM 0 HA ASP A 51 28.266 -10.857 -9.813 1.00 22.22 H new ATOM 0 HB2 ASP A 51 28.953 -10.244 -12.161 1.00 24.12 H new ATOM 0 HB3 ASP A 51 28.299 -11.861 -11.997 1.00 24.12 H new HETATM 615 N 4HJ A 52 28.408 -8.235 -10.918 1.00 43.12 N HETATM 616 CA 4HJ A 52 28.482 -6.816 -10.713 1.00 61.41 C HETATM 617 CAA 4HJ A 52 29.493 -7.176 -7.435 1.00 23.52 C HETATM 618 C 4HJ A 52 27.796 -6.095 -11.841 1.00 52.13 C HETATM 619 O 4HJ A 52 27.594 -4.898 -11.777 1.00 51.11 O HETATM 620 CB 4HJ A 52 29.913 -6.384 -10.613 1.00 51.23 C HETATM 621 OG 4HJ A 52 30.625 -6.781 -11.774 1.00 62.12 O HETATM 622 CZ1 4HJ A 52 28.745 -6.069 -7.051 1.00 52.32 C HETATM 623 CZ2 4HJ A 52 30.828 -7.287 -7.064 1.00 15.23 C HETATM 624 OZ 4HJ A 52 28.552 -4.008 -5.879 1.00 0.44 O HETATM 625 CJ 4HJ A 52 32.074 -3.790 -11.246 1.00 63.03 C HETATM 626 CK 4HJ A 52 32.310 -3.010 -9.940 1.00 33.44 C HETATM 627 CL1 4HJ A 52 31.243 -3.493 -8.969 1.00 41.43 C HETATM 628 CL2 4HJ A 52 32.105 -1.530 -10.210 1.00 73.25 C HETATM 629 CM 4HJ A 52 34.059 -2.588 -8.093 1.00 25.00 C HETATM 630 OM 4HJ A 52 34.667 -2.836 -10.432 1.00 31.24 O HETATM 631 NN 4HJ A 52 34.997 -1.654 -8.090 1.00 43.24 N HETATM 632 ON 4HJ A 52 33.442 -2.854 -7.078 1.00 53.42 O HETATM 633 P 4HJ A 52 32.083 -6.193 -11.986 1.00 5.41 P HETATM 634 O1P 4HJ A 52 32.147 -5.576 -13.328 1.00 43.22 O HETATM 635 O2P 4HJ A 52 33.050 -7.297 -11.852 1.00 3.05 O HETATM 636 O3P 4HJ A 52 32.323 -5.180 -10.942 1.00 71.44 O HETATM 637 CX 4HJ A 52 30.660 -5.176 -5.850 1.00 21.33 C HETATM 638 CL3 4HJ A 52 33.764 -3.311 -9.431 1.00 43.40 C HETATM 639 CO 4HJ A 52 36.426 -1.900 -7.798 1.00 31.53 C HETATM 640 CP 4HJ A 52 36.774 -1.597 -6.330 1.00 42.14 C HETATM 641 CQ 4HJ A 52 36.608 -2.835 -5.456 1.00 53.10 C HETATM 642 CS 4HJ A 52 34.840 -2.593 -3.730 1.00 22.04 C HETATM 643 CT 4HJ A 52 33.334 -2.842 -3.725 1.00 43.21 C HETATM 644 CV 4HJ A 52 31.288 -4.120 -4.975 1.00 3.03 C HETATM 645 CY1 4HJ A 52 29.312 -5.075 -6.257 1.00 41.03 C HETATM 646 CY2 4HJ A 52 31.420 -6.280 -6.279 1.00 43.03 C HETATM 647 NR 4HJ A 52 35.395 -3.053 -4.994 1.00 62.11 N HETATM 648 OR 4HJ A 52 37.551 -3.581 -5.234 1.00 3.23 O HETATM 649 OW 4HJ A 52 30.697 -3.071 -4.641 1.00 60.22 O HETATM 650 SU 4HJ A 52 32.926 -4.459 -4.443 1.00 73.30 S ATOM 680 N ILE A 53 27.487 -6.790 -12.873 1.00 15.24 N ATOM 681 CA ILE A 53 26.890 -6.174 -13.980 1.00 53.14 C ATOM 682 C ILE A 53 25.401 -6.133 -13.740 1.00 62.22 C ATOM 683 O ILE A 53 24.729 -5.148 -14.053 1.00 24.33 O ATOM 684 CB ILE A 53 27.300 -6.858 -15.325 1.00 64.04 C ATOM 685 CG1 ILE A 53 27.620 -5.804 -16.357 1.00 52.23 C ATOM 686 CG2 ILE A 53 26.260 -7.848 -15.878 1.00 25.13 C ATOM 687 CD1 ILE A 53 26.490 -4.830 -16.628 1.00 71.23 C ATOM 0 H ILE A 53 27.643 -7.794 -12.966 1.00 15.24 H new ATOM 0 HA ILE A 53 27.249 -5.151 -14.088 1.00 53.14 H new ATOM 0 HB ILE A 53 28.183 -7.457 -15.102 1.00 64.04 H new ATOM 0 HG12 ILE A 53 28.495 -5.244 -16.027 1.00 52.23 H new ATOM 0 HG13 ILE A 53 27.890 -6.297 -17.291 1.00 52.23 H new ATOM 0 HG21 ILE A 53 26.625 -8.276 -16.812 1.00 25.13 H new ATOM 0 HG22 ILE A 53 26.096 -8.646 -15.153 1.00 25.13 H new ATOM 0 HG23 ILE A 53 25.321 -7.325 -16.061 1.00 25.13 H new ATOM 0 HD11 ILE A 53 26.805 -4.108 -17.381 1.00 71.23 H new ATOM 0 HD12 ILE A 53 25.619 -5.375 -16.990 1.00 71.23 H new ATOM 0 HD13 ILE A 53 26.233 -4.306 -15.708 1.00 71.23 H new ATOM 699 N ARG A 54 24.899 -7.186 -13.134 1.00 41.10 N ATOM 700 CA ARG A 54 23.539 -7.213 -12.684 1.00 50.41 C ATOM 701 C ARG A 54 23.377 -6.171 -11.633 1.00 73.42 C ATOM 702 O ARG A 54 22.550 -5.275 -11.761 1.00 73.31 O ATOM 703 CB ARG A 54 23.164 -8.570 -12.101 1.00 15.12 C ATOM 704 CG ARG A 54 22.646 -9.576 -13.095 1.00 54.13 C ATOM 705 CD ARG A 54 23.656 -9.967 -14.142 1.00 42.42 C ATOM 706 NE ARG A 54 23.029 -10.828 -15.138 1.00 45.25 N ATOM 707 CZ ARG A 54 23.562 -11.906 -15.695 1.00 23.24 C ATOM 708 NH1 ARG A 54 24.801 -12.293 -15.394 1.00 42.11 N ATOM 709 NH2 ARG A 54 22.832 -12.614 -16.557 1.00 71.42 N ATOM 0 H ARG A 54 25.424 -8.039 -12.944 1.00 41.10 H new ATOM 0 HA ARG A 54 22.885 -7.024 -13.536 1.00 50.41 H new ATOM 0 HB2 ARG A 54 24.040 -8.990 -11.607 1.00 15.12 H new ATOM 0 HB3 ARG A 54 22.406 -8.420 -11.332 1.00 15.12 H new ATOM 0 HG2 ARG A 54 22.325 -10.470 -12.560 1.00 54.13 H new ATOM 0 HG3 ARG A 54 21.765 -9.166 -13.588 1.00 54.13 H new ATOM 0 HD2 ARG A 54 24.060 -9.075 -14.622 1.00 42.42 H new ATOM 0 HD3 ARG A 54 24.494 -10.485 -13.676 1.00 42.42 H new ATOM 0 HE ARG A 54 22.087 -10.575 -15.436 1.00 45.25 H new ATOM 0 HH11 ARG A 54 25.355 -11.757 -14.726 1.00 42.11 H new ATOM 0 HH12 ARG A 54 25.196 -13.125 -15.832 1.00 42.11 H new ATOM 0 HH21 ARG A 54 21.880 -12.323 -16.778 1.00 71.42 H new ATOM 0 HH22 ARG A 54 23.226 -13.447 -16.995 1.00 71.42 H new ATOM 723 N LEU A 55 24.246 -6.228 -10.646 1.00 21.13 N ATOM 724 CA LEU A 55 24.155 -5.363 -9.515 1.00 51.55 C ATOM 725 C LEU A 55 24.385 -3.895 -9.903 1.00 51.22 C ATOM 726 O LEU A 55 23.647 -3.026 -9.454 1.00 11.13 O ATOM 727 CB LEU A 55 25.066 -5.881 -8.374 1.00 15.25 C ATOM 728 CG LEU A 55 24.865 -5.281 -6.969 1.00 73.45 C ATOM 729 CD1 LEU A 55 25.397 -6.237 -5.912 1.00 3.40 C ATOM 730 CD2 LEU A 55 25.585 -3.963 -6.841 1.00 40.55 C ATOM 0 H LEU A 55 25.031 -6.879 -10.616 1.00 21.13 H new ATOM 0 HA LEU A 55 23.138 -5.382 -9.123 1.00 51.55 H new ATOM 0 HB2 LEU A 55 24.931 -6.960 -8.300 1.00 15.25 H new ATOM 0 HB3 LEU A 55 26.102 -5.709 -8.667 1.00 15.25 H new ATOM 0 HG LEU A 55 23.797 -5.121 -6.822 1.00 73.45 H new ATOM 0 HD11 LEU A 55 25.250 -5.804 -4.923 1.00 3.40 H new ATOM 0 HD12 LEU A 55 24.862 -7.185 -5.976 1.00 3.40 H new ATOM 0 HD13 LEU A 55 26.460 -6.409 -6.079 1.00 3.40 H new ATOM 0 HD21 LEU A 55 25.429 -3.559 -5.841 1.00 40.55 H new ATOM 0 HD22 LEU A 55 26.651 -4.113 -7.009 1.00 40.55 H new ATOM 0 HD23 LEU A 55 25.196 -3.263 -7.580 1.00 40.55 H new ATOM 742 N MET A 56 25.340 -3.615 -10.793 1.00 64.50 N ATOM 743 CA MET A 56 25.582 -2.223 -11.173 1.00 41.43 C ATOM 744 C MET A 56 24.468 -1.703 -12.071 1.00 2.42 C ATOM 745 O MET A 56 24.248 -0.489 -12.160 1.00 51.43 O ATOM 746 CB MET A 56 26.926 -2.024 -11.865 1.00 23.42 C ATOM 747 CG MET A 56 27.646 -0.764 -11.411 1.00 10.33 C ATOM 748 SD MET A 56 28.733 -1.015 -9.966 1.00 1.22 S ATOM 749 CE MET A 56 27.718 -1.926 -8.781 1.00 74.11 C ATOM 0 H MET A 56 25.938 -4.305 -11.249 1.00 64.50 H new ATOM 0 HA MET A 56 25.601 -1.654 -10.243 1.00 41.43 H new ATOM 0 HB2 MET A 56 27.560 -2.889 -11.670 1.00 23.42 H new ATOM 0 HB3 MET A 56 26.771 -1.979 -12.943 1.00 23.42 H new ATOM 0 HG2 MET A 56 28.241 -0.379 -12.239 1.00 10.33 H new ATOM 0 HG3 MET A 56 26.906 -0.001 -11.169 1.00 10.33 H new ATOM 0 HE1 MET A 56 28.259 -2.027 -7.840 1.00 74.11 H new ATOM 0 HE2 MET A 56 26.787 -1.386 -8.608 1.00 74.11 H new ATOM 0 HE3 MET A 56 27.495 -2.916 -9.179 1.00 74.11 H new ATOM 759 N ARG A 57 23.776 -2.616 -12.745 1.00 43.33 N ATOM 760 CA ARG A 57 22.640 -2.256 -13.556 1.00 43.35 C ATOM 761 C ARG A 57 21.528 -1.802 -12.666 1.00 5.52 C ATOM 762 O ARG A 57 20.880 -0.793 -12.930 1.00 72.24 O ATOM 763 CB ARG A 57 22.155 -3.398 -14.342 1.00 44.02 C ATOM 764 CG ARG A 57 21.306 -2.911 -15.469 1.00 4.24 C ATOM 765 CD ARG A 57 20.326 -3.913 -15.820 1.00 13.41 C ATOM 766 NE ARG A 57 20.938 -5.156 -16.306 1.00 12.14 N ATOM 767 CZ ARG A 57 20.640 -6.385 -15.853 1.00 35.22 C ATOM 768 NH1 ARG A 57 19.820 -6.537 -14.824 1.00 24.22 N ATOM 769 NH2 ARG A 57 21.193 -7.451 -16.412 1.00 20.30 N ATOM 0 H ARG A 57 23.991 -3.613 -12.739 1.00 43.33 H new ATOM 0 HA ARG A 57 22.953 -1.465 -14.237 1.00 43.35 H new ATOM 0 HB2 ARG A 57 22.999 -3.969 -14.730 1.00 44.02 H new ATOM 0 HB3 ARG A 57 21.580 -4.071 -13.706 1.00 44.02 H new ATOM 0 HG2 ARG A 57 20.806 -1.985 -15.184 1.00 4.24 H new ATOM 0 HG3 ARG A 57 21.930 -2.683 -16.333 1.00 4.24 H new ATOM 0 HD2 ARG A 57 19.709 -4.133 -14.949 1.00 13.41 H new ATOM 0 HD3 ARG A 57 19.663 -3.514 -16.588 1.00 13.41 H new ATOM 0 HE ARG A 57 21.641 -5.081 -17.041 1.00 12.14 H new ATOM 0 HH11 ARG A 57 19.412 -5.719 -14.372 1.00 24.22 H new ATOM 0 HH12 ARG A 57 19.597 -7.472 -14.484 1.00 24.22 H new ATOM 0 HH21 ARG A 57 21.846 -7.339 -17.187 1.00 20.30 H new ATOM 0 HH22 ARG A 57 20.966 -8.384 -16.067 1.00 20.30 H new ATOM 783 N TRP A 58 21.324 -2.559 -11.594 1.00 12.22 N ATOM 784 CA TRP A 58 20.348 -2.212 -10.570 1.00 54.34 C ATOM 785 C TRP A 58 20.613 -0.839 -10.055 1.00 32.11 C ATOM 786 O TRP A 58 19.700 -0.014 -10.006 1.00 22.03 O ATOM 787 CB TRP A 58 20.298 -3.271 -9.460 1.00 51.41 C ATOM 788 CG TRP A 58 19.901 -4.629 -9.978 1.00 44.14 C ATOM 789 CD1 TRP A 58 20.502 -5.808 -9.693 1.00 21.43 C ATOM 790 CD2 TRP A 58 18.827 -4.942 -10.895 1.00 44.15 C ATOM 791 NE1 TRP A 58 19.902 -6.831 -10.383 1.00 72.50 N ATOM 792 CE2 TRP A 58 18.869 -6.326 -11.117 1.00 52.45 C ATOM 793 CE3 TRP A 58 17.836 -4.187 -11.549 1.00 15.14 C ATOM 794 CZ2 TRP A 58 17.977 -6.974 -11.960 1.00 61.11 C ATOM 795 CZ3 TRP A 58 16.945 -4.835 -12.378 1.00 42.52 C ATOM 796 CH2 TRP A 58 17.022 -6.215 -12.578 1.00 31.11 C ATOM 0 H TRP A 58 21.828 -3.427 -11.411 1.00 12.22 H new ATOM 0 HA TRP A 58 19.353 -2.204 -11.016 1.00 54.34 H new ATOM 0 HB2 TRP A 58 21.275 -3.339 -8.982 1.00 51.41 H new ATOM 0 HB3 TRP A 58 19.590 -2.956 -8.693 1.00 51.41 H new ATOM 0 HD1 TRP A 58 21.336 -5.927 -9.018 1.00 21.43 H new ATOM 0 HE1 TRP A 58 20.183 -7.811 -10.352 1.00 72.50 H new ATOM 0 HE3 TRP A 58 17.774 -3.119 -11.404 1.00 15.14 H new ATOM 0 HZ2 TRP A 58 18.035 -8.040 -12.122 1.00 61.11 H new ATOM 0 HZ3 TRP A 58 16.176 -4.267 -12.880 1.00 42.52 H new ATOM 0 HH2 TRP A 58 16.311 -6.694 -13.236 1.00 31.11 H new ATOM 807 N LEU A 59 21.873 -0.563 -9.769 1.00 14.40 N ATOM 808 CA LEU A 59 22.309 0.747 -9.298 1.00 52.13 C ATOM 809 C LEU A 59 21.792 1.865 -10.126 1.00 12.54 C ATOM 810 O LEU A 59 21.033 2.696 -9.644 1.00 1.45 O ATOM 811 CB LEU A 59 23.822 0.848 -9.263 1.00 12.41 C ATOM 812 CG LEU A 59 24.470 0.598 -7.938 1.00 45.43 C ATOM 813 CD1 LEU A 59 24.085 1.708 -6.967 1.00 4.13 C ATOM 814 CD2 LEU A 59 24.054 -0.744 -7.417 1.00 42.14 C ATOM 0 H LEU A 59 22.629 -1.242 -9.856 1.00 14.40 H new ATOM 0 HA LEU A 59 21.898 0.839 -8.292 1.00 52.13 H new ATOM 0 HB2 LEU A 59 24.230 0.138 -9.983 1.00 12.41 H new ATOM 0 HB3 LEU A 59 24.107 1.844 -9.601 1.00 12.41 H new ATOM 0 HG LEU A 59 25.554 0.598 -8.049 1.00 45.43 H new ATOM 0 HD11 LEU A 59 24.557 1.526 -6.001 1.00 4.13 H new ATOM 0 HD12 LEU A 59 24.420 2.668 -7.360 1.00 4.13 H new ATOM 0 HD13 LEU A 59 23.002 1.725 -6.844 1.00 4.13 H new ATOM 0 HD21 LEU A 59 24.528 -0.922 -6.452 1.00 42.14 H new ATOM 0 HD22 LEU A 59 22.971 -0.769 -7.299 1.00 42.14 H new ATOM 0 HD23 LEU A 59 24.360 -1.518 -8.120 1.00 42.14 H new ATOM 826 N HIS A 60 22.140 1.863 -11.377 1.00 15.23 N ATOM 827 CA HIS A 60 21.811 2.971 -12.213 1.00 64.12 C ATOM 828 C HIS A 60 20.326 3.024 -12.557 1.00 0.43 C ATOM 829 O HIS A 60 19.801 4.083 -12.892 1.00 21.50 O ATOM 830 CB HIS A 60 22.752 3.070 -13.417 1.00 34.43 C ATOM 831 CG HIS A 60 22.689 1.954 -14.441 1.00 14.24 C ATOM 832 ND1 HIS A 60 21.753 1.676 -15.384 1.00 44.14 N flip ATOM 833 CD2 HIS A 60 23.700 1.037 -14.638 1.00 42.15 C flip ATOM 834 CE1 HIS A 60 22.191 0.603 -16.158 1.00 21.41 C flip ATOM 835 NE2 HIS A 60 23.363 0.263 -15.670 1.00 32.00 N flip ATOM 0 H HIS A 60 22.649 1.109 -11.837 1.00 15.23 H new ATOM 0 HA HIS A 60 21.984 3.882 -11.640 1.00 64.12 H new ATOM 0 HB2 HIS A 60 22.547 4.010 -13.929 1.00 34.43 H new ATOM 0 HB3 HIS A 60 23.774 3.127 -13.043 1.00 34.43 H new ATOM 0 HD2 HIS A 60 24.607 0.959 -14.057 1.00 42.15 H new ATOM 0 HE1 HIS A 60 21.674 0.145 -16.988 1.00 21.41 H new ATOM 0 HE2 HIS A 60 23.940 -0.495 -16.034 1.00 32.00 H new ATOM 843 N TRP A 61 19.654 1.893 -12.411 1.00 75.40 N ATOM 844 CA TRP A 61 18.226 1.810 -12.593 1.00 14.32 C ATOM 845 C TRP A 61 17.533 2.664 -11.521 1.00 23.10 C ATOM 846 O TRP A 61 16.817 3.627 -11.846 1.00 33.34 O ATOM 847 CB TRP A 61 17.774 0.341 -12.520 1.00 24.11 C ATOM 848 CG TRP A 61 16.296 0.123 -12.736 1.00 34.42 C ATOM 849 CD1 TRP A 61 15.589 0.364 -13.878 1.00 5.14 C ATOM 850 CD2 TRP A 61 15.360 -0.415 -11.794 1.00 40.22 C ATOM 851 NE1 TRP A 61 14.266 0.032 -13.691 1.00 54.52 N ATOM 852 CE2 TRP A 61 14.103 -0.454 -12.422 1.00 41.52 C ATOM 853 CE3 TRP A 61 15.467 -0.858 -10.483 1.00 42.44 C ATOM 854 CZ2 TRP A 61 12.959 -0.924 -11.774 1.00 33.25 C ATOM 855 CZ3 TRP A 61 14.336 -1.326 -9.840 1.00 53.41 C ATOM 856 CH2 TRP A 61 13.099 -1.355 -10.486 1.00 62.32 C ATOM 0 H TRP A 61 20.092 1.006 -12.162 1.00 75.40 H new ATOM 0 HA TRP A 61 17.950 2.194 -13.575 1.00 14.32 H new ATOM 0 HB2 TRP A 61 18.325 -0.232 -13.266 1.00 24.11 H new ATOM 0 HB3 TRP A 61 18.048 -0.061 -11.544 1.00 24.11 H new ATOM 0 HD1 TRP A 61 16.006 0.757 -14.793 1.00 5.14 H new ATOM 0 HE1 TRP A 61 13.526 0.132 -14.386 1.00 54.52 H new ATOM 0 HE3 TRP A 61 16.419 -0.837 -9.973 1.00 42.44 H new ATOM 0 HZ2 TRP A 61 12.001 -0.946 -12.272 1.00 33.25 H new ATOM 0 HZ3 TRP A 61 14.411 -1.675 -8.821 1.00 53.41 H new ATOM 0 HH2 TRP A 61 12.234 -1.726 -9.956 1.00 62.32 H new ATOM 867 N PHE A 62 17.789 2.357 -10.248 1.00 50.23 N ATOM 868 CA PHE A 62 17.205 3.132 -9.162 1.00 4.40 C ATOM 869 C PHE A 62 17.852 4.482 -8.932 1.00 42.50 C ATOM 870 O PHE A 62 17.208 5.384 -8.407 1.00 0.03 O ATOM 871 CB PHE A 62 16.903 2.361 -7.858 1.00 22.43 C ATOM 872 CG PHE A 62 17.760 1.204 -7.575 1.00 53.11 C ATOM 873 CD1 PHE A 62 19.049 1.356 -7.124 1.00 3.10 C ATOM 874 CD2 PHE A 62 17.261 -0.056 -7.793 1.00 33.14 C ATOM 875 CE1 PHE A 62 19.831 0.234 -6.894 1.00 11.22 C ATOM 876 CE2 PHE A 62 18.015 -1.162 -7.590 1.00 42.33 C ATOM 877 CZ PHE A 62 19.297 -1.031 -7.141 1.00 64.34 C ATOM 0 H PHE A 62 18.389 1.588 -9.950 1.00 50.23 H new ATOM 0 HA PHE A 62 16.212 3.352 -9.555 1.00 4.40 H new ATOM 0 HB2 PHE A 62 16.981 3.057 -7.023 1.00 22.43 H new ATOM 0 HB3 PHE A 62 15.868 2.020 -7.894 1.00 22.43 H new ATOM 0 HD1 PHE A 62 19.451 2.343 -6.950 1.00 3.10 H new ATOM 0 HD2 PHE A 62 16.243 -0.168 -8.135 1.00 33.14 H new ATOM 0 HE1 PHE A 62 20.842 0.338 -6.528 1.00 11.22 H new ATOM 0 HE2 PHE A 62 17.604 -2.142 -7.782 1.00 42.33 H new ATOM 0 HZ PHE A 62 19.901 -1.911 -6.976 1.00 64.34 H new ATOM 887 N ARG A 63 19.111 4.648 -9.319 1.00 30.33 N ATOM 888 CA ARG A 63 19.731 5.983 -9.265 1.00 64.42 C ATOM 889 C ARG A 63 18.957 6.934 -10.175 1.00 25.14 C ATOM 890 O ARG A 63 18.743 8.091 -9.844 1.00 13.03 O ATOM 891 CB ARG A 63 21.213 5.979 -9.690 1.00 53.50 C ATOM 892 CG ARG A 63 22.189 5.320 -8.717 1.00 21.50 C ATOM 893 CD ARG A 63 22.261 6.054 -7.386 1.00 21.33 C ATOM 894 NE ARG A 63 22.634 7.482 -7.554 1.00 21.12 N ATOM 895 CZ ARG A 63 23.567 8.145 -6.834 1.00 32.11 C ATOM 896 NH1 ARG A 63 24.315 7.503 -5.929 1.00 44.24 N ATOM 897 NH2 ARG A 63 23.763 9.454 -7.045 1.00 5.15 N ATOM 0 H ARG A 63 19.716 3.903 -9.666 1.00 30.33 H new ATOM 0 HA ARG A 63 19.693 6.310 -8.226 1.00 64.42 H new ATOM 0 HB2 ARG A 63 21.293 5.472 -10.652 1.00 53.50 H new ATOM 0 HB3 ARG A 63 21.528 7.011 -9.846 1.00 53.50 H new ATOM 0 HG2 ARG A 63 21.885 4.288 -8.544 1.00 21.50 H new ATOM 0 HG3 ARG A 63 23.182 5.289 -9.167 1.00 21.50 H new ATOM 0 HD2 ARG A 63 21.296 5.989 -6.884 1.00 21.33 H new ATOM 0 HD3 ARG A 63 22.990 5.563 -6.741 1.00 21.33 H new ATOM 0 HE ARG A 63 22.143 8.009 -8.276 1.00 21.12 H new ATOM 0 HH11 ARG A 63 24.184 6.503 -5.776 1.00 44.24 H new ATOM 0 HH12 ARG A 63 25.016 8.014 -5.392 1.00 44.24 H new ATOM 0 HH21 ARG A 63 23.209 9.946 -7.746 1.00 5.15 H new ATOM 0 HH22 ARG A 63 24.466 9.958 -6.504 1.00 5.15 H new ATOM 911 N LYS A 64 18.489 6.396 -11.302 1.00 41.34 N ATOM 912 CA LYS A 64 17.711 7.145 -12.285 1.00 3.43 C ATOM 913 C LYS A 64 16.263 7.304 -11.746 1.00 4.05 C ATOM 914 O LYS A 64 15.443 8.009 -12.312 1.00 63.15 O ATOM 915 CB LYS A 64 17.732 6.344 -13.628 1.00 4.04 C ATOM 916 CG LYS A 64 17.505 7.124 -14.955 1.00 34.32 C ATOM 917 CD LYS A 64 16.097 7.725 -15.182 1.00 12.40 C ATOM 918 CE LYS A 64 14.968 6.681 -15.349 1.00 73.32 C ATOM 919 NZ LYS A 64 14.607 5.987 -14.084 1.00 62.50 N ATOM 0 H LYS A 64 18.641 5.421 -11.559 1.00 41.34 H new ATOM 0 HA LYS A 64 18.126 8.138 -12.459 1.00 3.43 H new ATOM 0 HB2 LYS A 64 18.696 5.840 -13.699 1.00 4.04 H new ATOM 0 HB3 LYS A 64 16.970 5.567 -13.564 1.00 4.04 H new ATOM 0 HG2 LYS A 64 18.231 7.935 -15.000 1.00 34.32 H new ATOM 0 HG3 LYS A 64 17.725 6.453 -15.785 1.00 34.32 H new ATOM 0 HD2 LYS A 64 15.853 8.372 -14.340 1.00 12.40 H new ATOM 0 HD3 LYS A 64 16.125 8.355 -16.071 1.00 12.40 H new ATOM 0 HE2 LYS A 64 14.083 7.176 -15.747 1.00 73.32 H new ATOM 0 HE3 LYS A 64 15.277 5.939 -16.085 1.00 73.32 H new ATOM 0 HZ1 LYS A 64 13.616 5.674 -14.130 1.00 62.50 H new ATOM 0 HZ2 LYS A 64 15.225 5.161 -13.952 1.00 62.50 H new ATOM 0 HZ3 LYS A 64 14.727 6.640 -13.283 1.00 62.50 H new ATOM 933 N ASN A 65 15.953 6.604 -10.679 1.00 12.02 N ATOM 934 CA ASN A 65 14.632 6.692 -10.054 1.00 51.23 C ATOM 935 C ASN A 65 14.705 7.616 -8.850 1.00 74.03 C ATOM 936 O ASN A 65 13.750 7.745 -8.095 1.00 73.23 O ATOM 937 CB ASN A 65 14.094 5.311 -9.610 1.00 42.54 C ATOM 938 CG ASN A 65 13.922 4.306 -10.741 1.00 11.40 C ATOM 939 OD1 ASN A 65 13.698 4.671 -11.900 1.00 3.45 O ATOM 940 ND2 ASN A 65 13.996 3.034 -10.414 1.00 50.11 N ATOM 0 H ASN A 65 16.595 5.961 -10.216 1.00 12.02 H new ATOM 0 HA ASN A 65 13.943 7.086 -10.801 1.00 51.23 H new ATOM 0 HB2 ASN A 65 14.774 4.892 -8.869 1.00 42.54 H new ATOM 0 HB3 ASN A 65 13.132 5.452 -9.117 1.00 42.54 H new ATOM 0 HD21 ASN A 65 13.867 2.316 -11.127 1.00 50.11 H new ATOM 0 HD22 ASN A 65 14.182 2.766 -9.448 1.00 50.11 H new ATOM 947 N GLY A 66 15.862 8.238 -8.669 1.00 12.21 N ATOM 948 CA GLY A 66 16.038 9.187 -7.599 1.00 33.12 C ATOM 949 C GLY A 66 16.503 8.556 -6.301 1.00 53.41 C ATOM 950 O GLY A 66 16.399 9.164 -5.236 1.00 62.54 O ATOM 0 H GLY A 66 16.686 8.097 -9.253 1.00 12.21 H new ATOM 0 HA2 GLY A 66 16.763 9.940 -7.908 1.00 33.12 H new ATOM 0 HA3 GLY A 66 15.095 9.705 -7.425 1.00 33.12 H new ATOM 954 N TYR A 67 17.011 7.351 -6.351 1.00 2.14 N ATOM 955 CA TYR A 67 17.481 6.723 -5.146 1.00 20.13 C ATOM 956 C TYR A 67 18.936 7.011 -4.908 1.00 74.20 C ATOM 957 O TYR A 67 19.752 6.968 -5.825 1.00 3.45 O ATOM 958 CB TYR A 67 17.181 5.240 -5.131 1.00 42.24 C ATOM 959 CG TYR A 67 15.704 4.958 -5.068 1.00 34.13 C ATOM 960 CD1 TYR A 67 15.014 5.161 -3.903 1.00 42.20 C ATOM 961 CD2 TYR A 67 15.011 4.484 -6.157 1.00 35.10 C ATOM 962 CE1 TYR A 67 13.672 4.902 -3.808 1.00 14.50 C ATOM 963 CE2 TYR A 67 13.663 4.220 -6.083 1.00 44.14 C ATOM 964 CZ TYR A 67 12.999 4.430 -4.900 1.00 23.23 C ATOM 965 OH TYR A 67 11.658 4.167 -4.807 1.00 21.11 O ATOM 0 H TYR A 67 17.108 6.793 -7.200 1.00 2.14 H new ATOM 0 HA TYR A 67 16.930 7.160 -4.313 1.00 20.13 H new ATOM 0 HB2 TYR A 67 17.599 4.778 -6.025 1.00 42.24 H new ATOM 0 HB3 TYR A 67 17.674 4.780 -4.274 1.00 42.24 H new ATOM 0 HD1 TYR A 67 15.541 5.535 -3.037 1.00 42.20 H new ATOM 0 HD2 TYR A 67 15.534 4.316 -7.087 1.00 35.10 H new ATOM 0 HE1 TYR A 67 13.150 5.069 -2.878 1.00 14.50 H new ATOM 0 HE2 TYR A 67 13.132 3.851 -6.948 1.00 44.14 H new ATOM 0 HH TYR A 67 11.482 3.253 -5.115 1.00 21.11 H new ATOM 975 N ARG A 68 19.251 7.338 -3.683 1.00 32.54 N ATOM 976 CA ARG A 68 20.587 7.701 -3.308 1.00 35.45 C ATOM 977 C ARG A 68 21.339 6.506 -2.755 1.00 61.20 C ATOM 978 O ARG A 68 21.292 6.244 -1.566 1.00 22.31 O ATOM 979 CB ARG A 68 20.584 8.833 -2.277 1.00 63.40 C ATOM 980 CG ARG A 68 20.003 10.166 -2.766 1.00 24.31 C ATOM 981 CD ARG A 68 18.623 10.492 -2.156 1.00 42.30 C ATOM 982 NE ARG A 68 17.517 9.652 -2.675 1.00 3.32 N ATOM 983 CZ ARG A 68 16.522 9.130 -1.931 1.00 73.41 C ATOM 984 NH1 ARG A 68 16.464 9.372 -0.632 1.00 14.03 N ATOM 985 NH2 ARG A 68 15.558 8.424 -2.518 1.00 12.34 N ATOM 0 H ARG A 68 18.582 7.359 -2.914 1.00 32.54 H new ATOM 0 HA ARG A 68 21.094 8.051 -4.208 1.00 35.45 H new ATOM 0 HB2 ARG A 68 20.017 8.507 -1.406 1.00 63.40 H new ATOM 0 HB3 ARG A 68 21.608 9.002 -1.945 1.00 63.40 H new ATOM 0 HG2 ARG A 68 20.699 10.969 -2.522 1.00 24.31 H new ATOM 0 HG3 ARG A 68 19.915 10.139 -3.852 1.00 24.31 H new ATOM 0 HD2 ARG A 68 18.679 10.372 -1.074 1.00 42.30 H new ATOM 0 HD3 ARG A 68 18.391 11.539 -2.349 1.00 42.30 H new ATOM 0 HE ARG A 68 17.509 9.453 -3.675 1.00 3.32 H new ATOM 0 HH11 ARG A 68 17.174 9.956 -0.190 1.00 14.03 H new ATOM 0 HH12 ARG A 68 15.709 8.975 -0.072 1.00 14.03 H new ATOM 0 HH21 ARG A 68 15.574 8.280 -3.528 1.00 12.34 H new ATOM 0 HH22 ARG A 68 14.803 8.027 -1.958 1.00 12.34 H new ATOM 999 N LEU A 69 21.972 5.756 -3.629 1.00 31.35 N ATOM 1000 CA LEU A 69 22.749 4.589 -3.222 1.00 50.22 C ATOM 1001 C LEU A 69 24.101 4.606 -3.834 1.00 13.13 C ATOM 1002 O LEU A 69 24.269 4.977 -5.011 1.00 42.24 O ATOM 1003 CB LEU A 69 22.045 3.271 -3.571 1.00 74.15 C ATOM 1004 CG LEU A 69 20.670 3.030 -2.932 1.00 54.13 C ATOM 1005 CD1 LEU A 69 20.109 1.684 -3.359 1.00 30.43 C ATOM 1006 CD2 LEU A 69 20.762 3.111 -1.416 1.00 21.42 C ATOM 0 H LEU A 69 21.968 5.929 -4.634 1.00 31.35 H new ATOM 0 HA LEU A 69 22.844 4.646 -2.138 1.00 50.22 H new ATOM 0 HB2 LEU A 69 21.929 3.224 -4.654 1.00 74.15 H new ATOM 0 HB3 LEU A 69 22.701 2.449 -3.285 1.00 74.15 H new ATOM 0 HG LEU A 69 19.992 3.810 -3.278 1.00 54.13 H new ATOM 0 HD11 LEU A 69 19.134 1.532 -2.895 1.00 30.43 H new ATOM 0 HD12 LEU A 69 20.002 1.662 -4.444 1.00 30.43 H new ATOM 0 HD13 LEU A 69 20.787 0.891 -3.045 1.00 30.43 H new ATOM 0 HD21 LEU A 69 19.777 2.937 -0.982 1.00 21.42 H new ATOM 0 HD22 LEU A 69 21.457 2.354 -1.053 1.00 21.42 H new ATOM 0 HD23 LEU A 69 21.117 4.100 -1.125 1.00 21.42 H new ATOM 1018 N THR A 70 25.053 4.266 -3.034 1.00 63.51 N ATOM 1019 CA THR A 70 26.391 4.095 -3.463 1.00 34.31 C ATOM 1020 C THR A 70 26.547 2.575 -3.696 1.00 25.44 C ATOM 1021 O THR A 70 25.599 1.835 -3.495 1.00 22.11 O ATOM 1022 CB THR A 70 27.376 4.601 -2.380 1.00 72.11 C ATOM 1023 OG1 THR A 70 26.783 5.713 -1.696 1.00 73.52 O ATOM 1024 CG2 THR A 70 28.692 5.062 -2.999 1.00 24.31 C ATOM 0 H THR A 70 24.914 4.096 -2.038 1.00 63.51 H new ATOM 0 HA THR A 70 26.612 4.664 -4.366 1.00 34.31 H new ATOM 0 HB THR A 70 27.580 3.780 -1.693 1.00 72.11 H new ATOM 0 HG1 THR A 70 26.408 5.410 -0.843 1.00 73.52 H new ATOM 0 HG21 THR A 70 29.361 5.411 -2.213 1.00 24.31 H new ATOM 0 HG22 THR A 70 29.156 4.230 -3.528 1.00 24.31 H new ATOM 0 HG23 THR A 70 28.500 5.875 -3.699 1.00 24.31 H new ATOM 1032 N LEU A 71 27.696 2.132 -4.090 1.00 61.22 N ATOM 1033 CA LEU A 71 27.888 0.750 -4.525 1.00 51.32 C ATOM 1034 C LEU A 71 28.022 -0.266 -3.382 1.00 12.14 C ATOM 1035 O LEU A 71 27.623 -1.419 -3.514 1.00 13.20 O ATOM 1036 CB LEU A 71 29.083 0.630 -5.490 1.00 23.32 C ATOM 1037 CG LEU A 71 29.043 1.498 -6.777 1.00 61.24 C ATOM 1038 CD1 LEU A 71 27.732 1.324 -7.498 1.00 71.03 C ATOM 1039 CD2 LEU A 71 29.299 2.969 -6.490 1.00 71.34 C ATOM 0 H LEU A 71 28.541 2.703 -4.127 1.00 61.22 H new ATOM 0 HA LEU A 71 26.968 0.491 -5.048 1.00 51.32 H new ATOM 0 HB2 LEU A 71 29.989 0.883 -4.939 1.00 23.32 H new ATOM 0 HB3 LEU A 71 29.173 -0.414 -5.789 1.00 23.32 H new ATOM 0 HG LEU A 71 29.850 1.148 -7.420 1.00 61.24 H new ATOM 0 HD11 LEU A 71 27.726 1.941 -8.396 1.00 71.03 H new ATOM 0 HD12 LEU A 71 27.606 0.278 -7.776 1.00 71.03 H new ATOM 0 HD13 LEU A 71 26.914 1.627 -6.844 1.00 71.03 H new ATOM 0 HD21 LEU A 71 29.261 3.534 -7.422 1.00 71.34 H new ATOM 0 HD22 LEU A 71 28.537 3.344 -5.807 1.00 71.34 H new ATOM 0 HD23 LEU A 71 30.283 3.085 -6.036 1.00 71.34 H new ATOM 1051 N ARG A 72 28.549 0.165 -2.264 1.00 2.44 N ATOM 1052 CA ARG A 72 28.877 -0.739 -1.190 1.00 62.12 C ATOM 1053 C ARG A 72 27.675 -1.068 -0.311 1.00 11.45 C ATOM 1054 O ARG A 72 27.685 -2.046 0.408 1.00 53.10 O ATOM 1055 CB ARG A 72 30.101 -0.222 -0.405 1.00 60.43 C ATOM 1056 CG ARG A 72 29.980 1.197 0.150 1.00 51.14 C ATOM 1057 CD ARG A 72 29.187 1.257 1.448 1.00 30.10 C ATOM 1058 NE ARG A 72 28.473 2.519 1.564 1.00 23.40 N ATOM 1059 CZ ARG A 72 28.429 3.336 2.613 1.00 44.13 C ATOM 1060 NH1 ARG A 72 29.220 3.135 3.677 1.00 72.43 N ATOM 1061 NH2 ARG A 72 27.583 4.362 2.586 1.00 5.31 N ATOM 0 H ARG A 72 28.762 1.144 -2.073 1.00 2.44 H new ATOM 0 HA ARG A 72 29.162 -1.696 -1.626 1.00 62.12 H new ATOM 0 HB2 ARG A 72 30.291 -0.902 0.425 1.00 60.43 H new ATOM 0 HB3 ARG A 72 30.973 -0.264 -1.058 1.00 60.43 H new ATOM 0 HG2 ARG A 72 30.978 1.602 0.320 1.00 51.14 H new ATOM 0 HG3 ARG A 72 29.500 1.833 -0.593 1.00 51.14 H new ATOM 0 HD2 ARG A 72 28.479 0.429 1.484 1.00 30.10 H new ATOM 0 HD3 ARG A 72 29.861 1.137 2.296 1.00 30.10 H new ATOM 0 HE ARG A 72 27.943 2.812 0.743 1.00 23.40 H new ATOM 0 HH11 ARG A 72 29.867 2.347 3.690 1.00 72.43 H new ATOM 0 HH12 ARG A 72 29.174 3.770 4.474 1.00 72.43 H new ATOM 0 HH21 ARG A 72 26.985 4.509 1.773 1.00 5.31 H new ATOM 0 HH22 ARG A 72 27.532 5.002 3.379 1.00 5.31 H new ATOM 1075 N GLU A 73 26.672 -0.218 -0.372 1.00 41.51 N ATOM 1076 CA GLU A 73 25.397 -0.372 0.297 1.00 10.12 C ATOM 1077 C GLU A 73 24.807 -1.736 -0.003 1.00 31.23 C ATOM 1078 O GLU A 73 24.460 -2.511 0.891 1.00 43.12 O ATOM 1079 CB GLU A 73 24.434 0.689 -0.257 1.00 72.34 C ATOM 1080 CG GLU A 73 24.596 2.134 0.227 1.00 54.44 C ATOM 1081 CD GLU A 73 25.919 2.850 -0.028 1.00 4.21 C ATOM 1082 OE1 GLU A 73 26.842 2.297 -0.643 1.00 15.13 O ATOM 1083 OE2 GLU A 73 26.067 4.008 0.412 1.00 24.14 O ATOM 0 H GLU A 73 26.726 0.643 -0.917 1.00 41.51 H new ATOM 0 HA GLU A 73 25.540 -0.264 1.372 1.00 10.12 H new ATOM 0 HB2 GLU A 73 24.527 0.689 -1.343 1.00 72.34 H new ATOM 0 HB3 GLU A 73 23.418 0.371 -0.024 1.00 72.34 H new ATOM 0 HG2 GLU A 73 23.806 2.727 -0.233 1.00 54.44 H new ATOM 0 HG3 GLU A 73 24.417 2.144 1.302 1.00 54.44 H new ATOM 1090 N LEU A 74 24.763 -2.016 -1.280 1.00 11.33 N ATOM 1091 CA LEU A 74 24.189 -3.245 -1.839 1.00 33.24 C ATOM 1092 C LEU A 74 24.960 -4.444 -1.381 1.00 53.00 C ATOM 1093 O LEU A 74 24.419 -5.534 -1.258 1.00 2.30 O ATOM 1094 CB LEU A 74 24.237 -3.247 -3.391 1.00 20.12 C ATOM 1095 CG LEU A 74 23.542 -2.116 -4.145 1.00 31.22 C ATOM 1096 CD1 LEU A 74 22.114 -1.922 -3.680 1.00 31.30 C ATOM 1097 CD2 LEU A 74 24.341 -0.837 -4.064 1.00 3.20 C ATOM 0 H LEU A 74 25.132 -1.387 -1.993 1.00 11.33 H new ATOM 0 HA LEU A 74 23.156 -3.284 -1.494 1.00 33.24 H new ATOM 0 HB2 LEU A 74 25.285 -3.249 -3.690 1.00 20.12 H new ATOM 0 HB3 LEU A 74 23.806 -4.188 -3.734 1.00 20.12 H new ATOM 0 HG LEU A 74 23.491 -2.404 -5.195 1.00 31.22 H new ATOM 0 HD11 LEU A 74 21.656 -1.108 -4.242 1.00 31.30 H new ATOM 0 HD12 LEU A 74 21.550 -2.840 -3.845 1.00 31.30 H new ATOM 0 HD13 LEU A 74 22.107 -1.678 -2.618 1.00 31.30 H new ATOM 0 HD21 LEU A 74 23.822 -0.049 -4.610 1.00 3.20 H new ATOM 0 HD22 LEU A 74 24.452 -0.543 -3.020 1.00 3.20 H new ATOM 0 HD23 LEU A 74 25.326 -0.995 -4.503 1.00 3.20 H new ATOM 1109 N TYR A 75 26.213 -4.224 -1.120 1.00 71.30 N ATOM 1110 CA TYR A 75 27.121 -5.275 -0.828 1.00 11.02 C ATOM 1111 C TYR A 75 27.222 -5.526 0.672 1.00 51.24 C ATOM 1112 O TYR A 75 27.618 -6.606 1.098 1.00 55.44 O ATOM 1113 CB TYR A 75 28.467 -4.913 -1.416 1.00 5.33 C ATOM 1114 CG TYR A 75 29.117 -6.061 -2.089 1.00 62.54 C ATOM 1115 CD1 TYR A 75 28.503 -6.654 -3.176 1.00 62.25 C ATOM 1116 CD2 TYR A 75 30.330 -6.552 -1.659 1.00 71.52 C ATOM 1117 CE1 TYR A 75 29.085 -7.722 -3.821 1.00 50.53 C ATOM 1118 CE2 TYR A 75 30.927 -7.622 -2.298 1.00 43.25 C ATOM 1119 CZ TYR A 75 30.298 -8.204 -3.378 1.00 51.03 C ATOM 1120 OH TYR A 75 30.885 -9.266 -4.022 1.00 0.23 O ATOM 0 H TYR A 75 26.632 -3.294 -1.105 1.00 71.30 H new ATOM 0 HA TYR A 75 26.761 -6.203 -1.272 1.00 11.02 H new ATOM 0 HB2 TYR A 75 28.341 -4.100 -2.131 1.00 5.33 H new ATOM 0 HB3 TYR A 75 29.119 -4.543 -0.624 1.00 5.33 H new ATOM 0 HD1 TYR A 75 27.554 -6.274 -3.524 1.00 62.25 H new ATOM 0 HD2 TYR A 75 30.820 -6.095 -0.812 1.00 71.52 H new ATOM 0 HE1 TYR A 75 28.595 -8.179 -4.668 1.00 50.53 H new ATOM 0 HE2 TYR A 75 31.879 -7.999 -1.954 1.00 43.25 H new ATOM 0 HH TYR A 75 31.736 -9.482 -3.587 1.00 0.23 H new ATOM 1130 N ALA A 76 26.860 -4.524 1.462 1.00 60.11 N ATOM 1131 CA ALA A 76 26.879 -4.641 2.912 1.00 0.24 C ATOM 1132 C ALA A 76 25.775 -5.578 3.368 1.00 32.22 C ATOM 1133 O ALA A 76 25.957 -6.387 4.274 1.00 22.04 O ATOM 1134 CB ALA A 76 26.724 -3.270 3.559 1.00 32.03 C ATOM 0 H ALA A 76 26.548 -3.616 1.119 1.00 60.11 H new ATOM 0 HA ALA A 76 27.839 -5.055 3.222 1.00 0.24 H new ATOM 0 HB1 ALA A 76 26.740 -3.376 4.644 1.00 32.03 H new ATOM 0 HB2 ALA A 76 27.544 -2.625 3.245 1.00 32.03 H new ATOM 0 HB3 ALA A 76 25.776 -2.828 3.252 1.00 32.03 H new ATOM 1140 N ALA A 77 24.637 -5.464 2.728 1.00 31.21 N ATOM 1141 CA ALA A 77 23.524 -6.330 3.001 1.00 10.34 C ATOM 1142 C ALA A 77 22.837 -6.696 1.696 1.00 22.24 C ATOM 1143 O ALA A 77 21.845 -6.070 1.305 1.00 65.05 O ATOM 1144 CB ALA A 77 22.544 -5.688 3.982 1.00 71.25 C ATOM 0 H ALA A 77 24.460 -4.768 2.004 1.00 31.21 H new ATOM 0 HA ALA A 77 23.894 -7.239 3.474 1.00 10.34 H new ATOM 0 HB1 ALA A 77 21.714 -6.370 4.166 1.00 71.25 H new ATOM 0 HB2 ALA A 77 23.055 -5.477 4.921 1.00 71.25 H new ATOM 0 HB3 ALA A 77 22.163 -4.759 3.559 1.00 71.25 H new ATOM 1150 N PRO A 78 23.383 -7.666 0.954 1.00 3.22 N ATOM 1151 CA PRO A 78 22.826 -8.067 -0.315 1.00 42.44 C ATOM 1152 C PRO A 78 21.618 -8.952 -0.134 1.00 75.22 C ATOM 1153 O PRO A 78 21.726 -10.180 -0.071 1.00 71.44 O ATOM 1154 CB PRO A 78 23.966 -8.824 -1.009 1.00 22.31 C ATOM 1155 CG PRO A 78 25.144 -8.708 -0.085 1.00 53.11 C ATOM 1156 CD PRO A 78 24.584 -8.433 1.273 1.00 13.22 C ATOM 0 HA PRO A 78 22.477 -7.214 -0.897 1.00 42.44 H new ATOM 0 HB2 PRO A 78 23.700 -9.868 -1.176 1.00 22.31 H new ATOM 0 HB3 PRO A 78 24.188 -8.391 -1.984 1.00 22.31 H new ATOM 0 HG2 PRO A 78 25.731 -9.627 -0.085 1.00 53.11 H new ATOM 0 HG3 PRO A 78 25.809 -7.905 -0.402 1.00 53.11 H new ATOM 0 HD2 PRO A 78 24.351 -9.351 1.812 1.00 13.22 H new ATOM 0 HD3 PRO A 78 25.278 -7.866 1.894 1.00 13.22 H new ATOM 1164 N THR A 79 20.490 -8.309 -0.016 1.00 51.33 N ATOM 1165 CA THR A 79 19.196 -8.910 0.186 1.00 24.34 C ATOM 1166 C THR A 79 18.187 -7.916 -0.367 1.00 54.10 C ATOM 1167 O THR A 79 18.358 -6.721 -0.150 1.00 21.33 O ATOM 1168 CB THR A 79 18.941 -9.116 1.706 1.00 14.23 C ATOM 1169 OG1 THR A 79 19.324 -7.940 2.413 1.00 40.15 O ATOM 1170 CG2 THR A 79 19.706 -10.304 2.263 1.00 34.01 C ATOM 0 H THR A 79 20.444 -7.291 -0.061 1.00 51.33 H new ATOM 0 HA THR A 79 19.123 -9.881 -0.304 1.00 24.34 H new ATOM 0 HB THR A 79 17.877 -9.316 1.836 1.00 14.23 H new ATOM 0 HG1 THR A 79 19.163 -8.067 3.371 1.00 40.15 H new ATOM 0 HG21 THR A 79 19.495 -10.406 3.327 1.00 34.01 H new ATOM 0 HG22 THR A 79 19.398 -11.211 1.743 1.00 34.01 H new ATOM 0 HG23 THR A 79 20.775 -10.148 2.118 1.00 34.01 H new ATOM 1178 N LEU A 80 17.168 -8.360 -1.086 1.00 62.51 N ATOM 1179 CA LEU A 80 16.236 -7.401 -1.694 1.00 71.13 C ATOM 1180 C LEU A 80 15.440 -6.683 -0.663 1.00 30.01 C ATOM 1181 O LEU A 80 15.081 -5.523 -0.844 1.00 51.32 O ATOM 1182 CB LEU A 80 15.332 -8.040 -2.696 1.00 32.43 C ATOM 1183 CG LEU A 80 16.029 -8.662 -3.863 1.00 45.34 C ATOM 1184 CD1 LEU A 80 15.026 -9.311 -4.757 1.00 44.31 C ATOM 1185 CD2 LEU A 80 16.820 -7.626 -4.641 1.00 23.05 C ATOM 0 H LEU A 80 16.962 -9.343 -1.264 1.00 62.51 H new ATOM 0 HA LEU A 80 16.851 -6.674 -2.224 1.00 71.13 H new ATOM 0 HB2 LEU A 80 14.740 -8.805 -2.194 1.00 32.43 H new ATOM 0 HB3 LEU A 80 14.634 -7.289 -3.066 1.00 32.43 H new ATOM 0 HG LEU A 80 16.726 -9.412 -3.489 1.00 45.34 H new ATOM 0 HD11 LEU A 80 15.536 -9.764 -5.607 1.00 44.31 H new ATOM 0 HD12 LEU A 80 14.489 -10.081 -4.203 1.00 44.31 H new ATOM 0 HD13 LEU A 80 14.319 -8.562 -5.115 1.00 44.31 H new ATOM 0 HD21 LEU A 80 17.317 -8.106 -5.484 1.00 23.05 H new ATOM 0 HD22 LEU A 80 16.145 -6.854 -5.009 1.00 23.05 H new ATOM 0 HD23 LEU A 80 17.567 -7.174 -3.989 1.00 23.05 H new ATOM 1197 N ALA A 81 15.172 -7.373 0.405 1.00 2.03 N ATOM 1198 CA ALA A 81 14.507 -6.794 1.565 1.00 3.04 C ATOM 1199 C ALA A 81 15.276 -5.560 2.064 1.00 24.34 C ATOM 1200 O ALA A 81 14.699 -4.478 2.234 1.00 51.14 O ATOM 1201 CB ALA A 81 14.375 -7.824 2.674 1.00 11.14 C ATOM 0 H ALA A 81 15.404 -8.361 0.510 1.00 2.03 H new ATOM 0 HA ALA A 81 13.506 -6.480 1.268 1.00 3.04 H new ATOM 0 HB1 ALA A 81 13.876 -7.373 3.532 1.00 11.14 H new ATOM 0 HB2 ALA A 81 13.788 -8.670 2.317 1.00 11.14 H new ATOM 0 HB3 ALA A 81 15.366 -8.169 2.970 1.00 11.14 H new ATOM 1207 N ALA A 82 16.589 -5.708 2.244 1.00 54.34 N ATOM 1208 CA ALA A 82 17.406 -4.596 2.690 1.00 63.41 C ATOM 1209 C ALA A 82 17.591 -3.585 1.579 1.00 44.10 C ATOM 1210 O ALA A 82 17.633 -2.403 1.839 1.00 44.55 O ATOM 1211 CB ALA A 82 18.745 -5.053 3.227 1.00 3.32 C ATOM 0 H ALA A 82 17.098 -6.578 2.088 1.00 54.34 H new ATOM 0 HA ALA A 82 16.875 -4.116 3.512 1.00 63.41 H new ATOM 0 HB1 ALA A 82 19.323 -4.187 3.549 1.00 3.32 H new ATOM 0 HB2 ALA A 82 18.589 -5.720 4.074 1.00 3.32 H new ATOM 0 HB3 ALA A 82 19.290 -5.582 2.445 1.00 3.32 H new ATOM 1217 N TRP A 83 17.682 -4.055 0.333 1.00 41.42 N ATOM 1218 CA TRP A 83 17.806 -3.157 -0.821 1.00 12.53 C ATOM 1219 C TRP A 83 16.591 -2.264 -0.941 1.00 63.25 C ATOM 1220 O TRP A 83 16.713 -1.080 -1.257 1.00 62.32 O ATOM 1221 CB TRP A 83 18.050 -3.911 -2.139 1.00 23.22 C ATOM 1222 CG TRP A 83 19.416 -4.544 -2.273 1.00 20.30 C ATOM 1223 CD1 TRP A 83 20.372 -4.687 -1.305 1.00 31.32 C ATOM 1224 CD2 TRP A 83 19.971 -5.112 -3.464 1.00 62.20 C ATOM 1225 NE1 TRP A 83 21.475 -5.314 -1.820 1.00 30.22 N ATOM 1226 CE2 TRP A 83 21.256 -5.585 -3.144 1.00 15.44 C ATOM 1227 CE3 TRP A 83 19.502 -5.268 -4.772 1.00 65.44 C ATOM 1228 CZ2 TRP A 83 22.076 -6.205 -4.082 1.00 52.04 C ATOM 1229 CZ3 TRP A 83 20.317 -5.881 -5.702 1.00 73.34 C ATOM 1230 CH2 TRP A 83 21.589 -6.344 -5.353 1.00 54.20 C ATOM 0 H TRP A 83 17.672 -5.047 0.096 1.00 41.42 H new ATOM 0 HA TRP A 83 18.686 -2.539 -0.640 1.00 12.53 H new ATOM 0 HB2 TRP A 83 17.294 -4.690 -2.239 1.00 23.22 H new ATOM 0 HB3 TRP A 83 17.905 -3.218 -2.968 1.00 23.22 H new ATOM 0 HD1 TRP A 83 20.271 -4.354 -0.283 1.00 31.32 H new ATOM 0 HE1 TRP A 83 22.323 -5.542 -1.301 1.00 30.22 H new ATOM 0 HE3 TRP A 83 18.520 -4.915 -5.050 1.00 65.44 H new ATOM 0 HZ2 TRP A 83 23.060 -6.563 -3.817 1.00 52.04 H new ATOM 0 HZ3 TRP A 83 19.966 -6.005 -6.716 1.00 73.34 H new ATOM 0 HH2 TRP A 83 22.201 -6.822 -6.103 1.00 54.20 H new ATOM 1241 N ASN A 84 15.422 -2.825 -0.672 1.00 22.01 N ATOM 1242 CA ASN A 84 14.191 -2.056 -0.661 1.00 73.55 C ATOM 1243 C ASN A 84 14.269 -0.964 0.382 1.00 4.32 C ATOM 1244 O ASN A 84 14.005 0.190 0.074 1.00 61.25 O ATOM 1245 CB ASN A 84 12.956 -2.949 -0.460 1.00 40.51 C ATOM 1246 CG ASN A 84 11.660 -2.156 -0.314 1.00 1.22 C ATOM 1247 OD1 ASN A 84 11.030 -1.823 -1.416 1.00 2.01 O flip ATOM 1248 ND2 ASN A 84 11.245 -1.834 0.785 1.00 74.32 N flip ATOM 0 H ASN A 84 15.302 -3.815 -0.458 1.00 22.01 H new ATOM 0 HA ASN A 84 14.075 -1.589 -1.639 1.00 73.55 H new ATOM 0 HB2 ASN A 84 12.865 -3.629 -1.307 1.00 40.51 H new ATOM 0 HB3 ASN A 84 13.101 -3.564 0.428 1.00 40.51 H new ATOM 0 HD21 ASN A 84 11.757 -2.108 1.624 1.00 74.32 H new ATOM 0 HD22 ASN A 84 10.386 -1.291 0.867 1.00 74.32 H new ATOM 1255 N GLN A 85 14.701 -1.311 1.597 1.00 12.44 N ATOM 1256 CA GLN A 85 14.880 -0.305 2.630 1.00 52.34 C ATOM 1257 C GLN A 85 15.948 0.708 2.220 1.00 60.34 C ATOM 1258 O GLN A 85 15.753 1.918 2.393 1.00 15.43 O ATOM 1259 CB GLN A 85 15.200 -0.903 4.001 1.00 53.10 C ATOM 1260 CG GLN A 85 15.556 0.175 5.015 1.00 12.35 C ATOM 1261 CD GLN A 85 15.742 -0.311 6.421 1.00 13.31 C ATOM 1262 OE1 GLN A 85 16.121 -1.453 6.664 1.00 43.12 O ATOM 1263 NE2 GLN A 85 15.531 0.575 7.356 1.00 63.33 N ATOM 0 H GLN A 85 14.928 -2.264 1.880 1.00 12.44 H new ATOM 0 HA GLN A 85 13.923 0.207 2.731 1.00 52.34 H new ATOM 0 HB2 GLN A 85 14.342 -1.471 4.360 1.00 53.10 H new ATOM 0 HB3 GLN A 85 16.030 -1.604 3.908 1.00 53.10 H new ATOM 0 HG2 GLN A 85 16.474 0.666 4.693 1.00 12.35 H new ATOM 0 HG3 GLN A 85 14.771 0.931 5.009 1.00 12.35 H new ATOM 0 HE21 GLN A 85 15.216 1.513 7.108 1.00 63.33 H new ATOM 0 HE22 GLN A 85 15.681 0.329 8.335 1.00 63.33 H new ATOM 1272 N LEU A 86 17.069 0.204 1.661 1.00 51.12 N ATOM 1273 CA LEU A 86 18.157 1.036 1.145 1.00 61.30 C ATOM 1274 C LEU A 86 17.625 2.103 0.234 1.00 42.53 C ATOM 1275 O LEU A 86 17.958 3.273 0.393 1.00 23.54 O ATOM 1276 CB LEU A 86 19.221 0.213 0.405 1.00 54.04 C ATOM 1277 CG LEU A 86 20.176 -0.620 1.264 1.00 24.30 C ATOM 1278 CD1 LEU A 86 21.070 -1.443 0.375 1.00 54.21 C ATOM 1279 CD2 LEU A 86 21.038 0.284 2.124 1.00 42.11 C ATOM 0 H LEU A 86 17.237 -0.797 1.558 1.00 51.12 H new ATOM 0 HA LEU A 86 18.633 1.498 2.010 1.00 61.30 H new ATOM 0 HB2 LEU A 86 18.710 -0.460 -0.284 1.00 54.04 H new ATOM 0 HB3 LEU A 86 19.817 0.896 -0.200 1.00 54.04 H new ATOM 0 HG LEU A 86 19.584 -1.272 1.906 1.00 24.30 H new ATOM 0 HD11 LEU A 86 21.749 -2.035 0.989 1.00 54.21 H new ATOM 0 HD12 LEU A 86 20.461 -2.108 -0.237 1.00 54.21 H new ATOM 0 HD13 LEU A 86 21.648 -0.783 -0.271 1.00 54.21 H new ATOM 0 HD21 LEU A 86 21.711 -0.323 2.729 1.00 42.11 H new ATOM 0 HD22 LEU A 86 21.622 0.946 1.485 1.00 42.11 H new ATOM 0 HD23 LEU A 86 20.401 0.880 2.778 1.00 42.11 H new ATOM 1291 N MET A 87 16.774 1.700 -0.679 1.00 60.35 N ATOM 1292 CA MET A 87 16.144 2.611 -1.596 1.00 0.44 C ATOM 1293 C MET A 87 15.179 3.536 -0.883 1.00 33.02 C ATOM 1294 O MET A 87 15.309 4.760 -0.968 1.00 22.44 O ATOM 1295 CB MET A 87 15.393 1.862 -2.701 1.00 65.44 C ATOM 1296 CG MET A 87 16.282 1.072 -3.644 1.00 51.42 C ATOM 1297 SD MET A 87 15.370 0.369 -5.027 1.00 42.31 S ATOM 1298 CE MET A 87 14.172 -0.639 -4.168 1.00 52.12 C ATOM 0 H MET A 87 16.500 0.726 -0.805 1.00 60.35 H new ATOM 0 HA MET A 87 16.942 3.204 -2.044 1.00 0.44 H new ATOM 0 HB2 MET A 87 14.679 1.180 -2.239 1.00 65.44 H new ATOM 0 HB3 MET A 87 14.817 2.581 -3.283 1.00 65.44 H new ATOM 0 HG2 MET A 87 17.069 1.722 -4.025 1.00 51.42 H new ATOM 0 HG3 MET A 87 16.771 0.270 -3.091 1.00 51.42 H new ATOM 0 HE1 MET A 87 13.520 -1.127 -4.893 1.00 52.12 H new ATOM 0 HE2 MET A 87 14.689 -1.396 -3.578 1.00 52.12 H new ATOM 0 HE3 MET A 87 13.574 -0.011 -3.508 1.00 52.12 H new ATOM 1308 N LEU A 88 14.274 2.932 -0.126 1.00 25.53 N ATOM 1309 CA LEU A 88 13.124 3.595 0.473 1.00 24.23 C ATOM 1310 C LEU A 88 13.321 4.968 1.033 1.00 10.44 C ATOM 1311 O LEU A 88 12.629 5.896 0.609 1.00 51.43 O ATOM 1312 CB LEU A 88 12.503 2.740 1.558 1.00 61.51 C ATOM 1313 CG LEU A 88 11.474 1.743 1.111 1.00 51.24 C ATOM 1314 CD1 LEU A 88 10.837 1.094 2.319 1.00 3.14 C ATOM 1315 CD2 LEU A 88 10.448 2.454 0.267 1.00 60.05 C ATOM 0 H LEU A 88 14.321 1.937 0.095 1.00 25.53 H new ATOM 0 HA LEU A 88 12.473 3.725 -0.392 1.00 24.23 H new ATOM 0 HB2 LEU A 88 13.302 2.202 2.069 1.00 61.51 H new ATOM 0 HB3 LEU A 88 12.043 3.401 2.293 1.00 61.51 H new ATOM 0 HG LEU A 88 11.937 0.957 0.514 1.00 51.24 H new ATOM 0 HD11 LEU A 88 10.090 0.371 1.992 1.00 3.14 H new ATOM 0 HD12 LEU A 88 11.603 0.586 2.905 1.00 3.14 H new ATOM 0 HD13 LEU A 88 10.358 1.858 2.932 1.00 3.14 H new ATOM 0 HD21 LEU A 88 9.693 1.741 -0.065 1.00 60.05 H new ATOM 0 HD22 LEU A 88 9.972 3.238 0.856 1.00 60.05 H new ATOM 0 HD23 LEU A 88 10.935 2.898 -0.601 1.00 60.05 H new ATOM 1327 N SER A 89 14.210 5.148 1.946 1.00 14.33 N ATOM 1328 CA SER A 89 14.262 6.450 2.498 1.00 25.10 C ATOM 1329 C SER A 89 15.546 7.217 2.160 1.00 53.53 C ATOM 1330 O SER A 89 15.472 8.372 1.730 1.00 40.32 O ATOM 1331 CB SER A 89 14.063 6.396 3.998 1.00 23.30 C ATOM 1332 OG SER A 89 12.815 5.784 4.352 1.00 3.34 O ATOM 0 H SER A 89 14.870 4.459 2.307 1.00 14.33 H new ATOM 0 HA SER A 89 13.446 7.005 2.035 1.00 25.10 H new ATOM 0 HB2 SER A 89 14.882 5.839 4.453 1.00 23.30 H new ATOM 0 HB3 SER A 89 14.100 7.406 4.405 1.00 23.30 H new ATOM 0 HG SER A 89 12.895 5.365 5.234 1.00 3.34 H new ATOM 1338 N ARG A 90 16.682 6.501 2.255 1.00 71.54 N ATOM 1339 CA ARG A 90 18.059 6.985 2.184 1.00 54.34 C ATOM 1340 C ARG A 90 18.278 8.501 2.113 1.00 41.42 C ATOM 1341 O ARG A 90 18.792 9.013 1.112 1.00 2.21 O ATOM 1342 CB ARG A 90 18.852 6.257 1.138 1.00 25.01 C ATOM 1343 CG ARG A 90 20.234 5.897 1.618 1.00 43.52 C ATOM 1344 CD ARG A 90 20.245 4.681 2.565 1.00 63.53 C ATOM 1345 NE ARG A 90 19.477 4.861 3.826 1.00 44.44 N ATOM 1346 CZ ARG A 90 18.404 4.131 4.170 1.00 64.15 C ATOM 1347 NH1 ARG A 90 17.774 3.434 3.254 1.00 3.12 N ATOM 1348 NH2 ARG A 90 17.921 4.191 5.379 1.00 0.24 N ATOM 0 H ARG A 90 16.650 5.491 2.394 1.00 71.54 H new ATOM 0 HA ARG A 90 18.445 6.739 3.173 1.00 54.34 H new ATOM 0 HB2 ARG A 90 18.322 5.349 0.849 1.00 25.01 H new ATOM 0 HB3 ARG A 90 18.930 6.878 0.246 1.00 25.01 H new ATOM 0 HG2 ARG A 90 20.868 5.686 0.757 1.00 43.52 H new ATOM 0 HG3 ARG A 90 20.669 6.754 2.132 1.00 43.52 H new ATOM 0 HD2 ARG A 90 19.842 3.820 2.031 1.00 63.53 H new ATOM 0 HD3 ARG A 90 21.279 4.445 2.817 1.00 63.53 H new ATOM 0 HE ARG A 90 19.786 5.587 4.472 1.00 44.44 H new ATOM 0 HH11 ARG A 90 18.100 3.449 2.288 1.00 3.12 H new ATOM 0 HH12 ARG A 90 16.958 2.877 3.508 1.00 3.12 H new ATOM 0 HH21 ARG A 90 18.359 4.796 6.074 1.00 0.24 H new ATOM 0 HH22 ARG A 90 17.105 3.633 5.631 1.00 0.24 H new ATOM 1362 N SER A 91 17.893 9.183 3.177 1.00 33.54 N ATOM 1363 CA SER A 91 18.015 10.642 3.359 1.00 23.43 C ATOM 1364 C SER A 91 17.653 11.037 4.822 1.00 23.21 C ATOM 1365 O SER A 91 18.498 11.562 5.523 1.00 4.25 O ATOM 1366 CB SER A 91 17.228 11.491 2.298 1.00 55.54 C ATOM 1367 OG SER A 91 17.759 11.325 0.990 1.00 62.52 O ATOM 0 H SER A 91 17.465 8.725 3.982 1.00 33.54 H new ATOM 0 HA SER A 91 19.061 10.892 3.180 1.00 23.43 H new ATOM 0 HB2 SER A 91 16.178 11.198 2.304 1.00 55.54 H new ATOM 0 HB3 SER A 91 17.266 12.545 2.575 1.00 55.54 H new ATOM 0 HG SER A 91 18.490 10.673 1.014 1.00 62.52 H new ATOM 1373 N PRO A 92 16.391 10.785 5.322 1.00 11.04 N ATOM 1374 CA PRO A 92 16.052 11.033 6.735 1.00 72.22 C ATOM 1375 C PRO A 92 16.181 9.736 7.544 1.00 64.10 C ATOM 1376 O PRO A 92 15.709 9.628 8.673 1.00 65.01 O ATOM 1377 CB PRO A 92 14.585 11.437 6.629 1.00 1.15 C ATOM 1378 CG PRO A 92 14.041 10.563 5.539 1.00 3.04 C ATOM 1379 CD PRO A 92 15.190 10.298 4.583 1.00 23.10 C ATOM 0 HA PRO A 92 16.688 11.769 7.227 1.00 72.22 H new ATOM 0 HB2 PRO A 92 14.058 11.275 7.569 1.00 1.15 H new ATOM 0 HB3 PRO A 92 14.480 12.493 6.382 1.00 1.15 H new ATOM 0 HG2 PRO A 92 13.654 9.630 5.948 1.00 3.04 H new ATOM 0 HG3 PRO A 92 13.214 11.053 5.025 1.00 3.04 H new ATOM 0 HD2 PRO A 92 15.272 9.238 4.341 1.00 23.10 H new ATOM 0 HD3 PRO A 92 15.057 10.831 3.641 1.00 23.10 H new ATOM 1387 N GLU A 93 16.819 8.793 6.922 1.00 4.24 N ATOM 1388 CA GLU A 93 17.011 7.467 7.363 1.00 12.42 C ATOM 1389 C GLU A 93 18.110 7.010 6.448 1.00 35.50 C ATOM 1390 O GLU A 93 18.088 7.482 5.279 1.00 42.11 O ATOM 1391 CB GLU A 93 15.747 6.644 7.063 1.00 0.11 C ATOM 1392 CG GLU A 93 15.747 5.209 7.587 1.00 51.43 C ATOM 1393 CD GLU A 93 14.922 4.274 6.711 1.00 4.01 C ATOM 1394 OE1 GLU A 93 13.706 4.518 6.515 1.00 45.11 O ATOM 1395 OE2 GLU A 93 15.509 3.289 6.175 1.00 43.33 O ATOM 1396 OXT GLU A 93 18.945 6.172 6.819 1.00 36.98 O ATOM 0 H GLU A 93 17.253 8.958 6.014 1.00 4.24 H new ATOM 0 HA GLU A 93 17.226 7.371 8.427 1.00 12.42 H new ATOM 0 HB2 GLU A 93 14.888 7.165 7.486 1.00 0.11 H new ATOM 0 HB3 GLU A 93 15.602 6.616 5.983 1.00 0.11 H new ATOM 0 HG2 GLU A 93 16.773 4.844 7.639 1.00 51.43 H new ATOM 0 HG3 GLU A 93 15.351 5.195 8.603 1.00 51.43 H new TER 1403 GLU A 93