USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=15 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 84 ASN : amide:sc= 0.45 K(o=1.8,f=0.27) USER MOD Set 1.2: A 85 GLN : amide:sc= 1.39 K(o=1.8,f=-0.57) USER MOD Set 2.1: A 64 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 65 ASN : amide:sc= 0.913 K(o=2.1,f=-8.6!) USER MOD Set 3.1: A 40 HIS : no HE2:sc= -0.0104 K(o=1.3,f=-2.6!) USER MOD Set 3.2: A 43 SER OG : rot 79:sc= 1.31 USER MOD Set 4.1: A 17 HIS : no HD1:sc= -1.52 X(o=-0.39,f=-0.72!) USER MOD Set 4.2: A 67 TYR OH : rot -143:sc= 1.13 USER MOD Single : A 15 ASN : amide:sc= 0.599 K(o=0.6,f=-7.9!) USER MOD Single : A 21 TYR OH : rot 0:sc= 0.185 USER MOD Single : A 22 GLN : amide:sc= -2.9! X(o=-2.9!,f=-2.6) USER MOD Single : A 23 GLN : amide:sc= 0.0773 K(o=0.077,f=-4.7!) USER MOD Single : A 30 GLN : amide:sc= -0.949 K(o=-0.95,f=-4.1!) USER MOD Single : A 33 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.69) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 37 GLN : amide:sc= 0.542 K(o=0.54,f=-0.04) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.0705 F(o=-0.79,f=-0.07) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.102 F(o=-1,f=-0.1) USER MOD Single : A 47 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.03) USER MOD Single : A 56 MET CE :methyl -149:sc= -3.08 (180deg=-8.96!) USER MOD Single : A 60 HIS : no HD1:sc=-0.00295 X(o=-0.0029,f=0) USER MOD Single : A 70 THR OG1 : rot 80:sc= 0.309 USER MOD Single : A 75 TYR OH : rot -138:sc= 1.26 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00129 USER MOD Single : A 87 MET CE :methyl 164:sc= -0.228 (180deg=-0.634) USER MOD Single : A 89 SER OG : rot -162:sc= 0.655 USER MOD Single : A 91 SER OG : rot 72:sc= 0.81 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 7.817 -2.314 0.055 1.00 23.42 N ATOM 2 CA ASP A 14 7.037 -1.703 -1.023 1.00 71.14 C ATOM 3 C ASP A 14 6.643 -0.281 -0.627 1.00 55.45 C ATOM 4 O ASP A 14 6.784 0.098 0.534 1.00 2.24 O ATOM 5 CB ASP A 14 5.783 -2.553 -1.334 1.00 43.13 C ATOM 6 CG ASP A 14 4.973 -1.994 -2.490 1.00 32.14 C ATOM 7 OD1 ASP A 14 5.396 -2.149 -3.639 1.00 24.40 O ATOM 8 OD2 ASP A 14 3.934 -1.342 -2.254 1.00 1.02 O ATOM 0 HA ASP A 14 7.646 -1.662 -1.926 1.00 71.14 H new ATOM 0 HB2 ASP A 14 6.088 -3.573 -1.568 1.00 43.13 H new ATOM 0 HB3 ASP A 14 5.154 -2.605 -0.445 1.00 43.13 H new ATOM 13 N ASN A 15 6.202 0.468 -1.600 1.00 51.41 N ATOM 14 CA ASN A 15 5.724 1.833 -1.541 1.00 32.15 C ATOM 15 C ASN A 15 5.301 2.040 -2.970 1.00 3.43 C ATOM 16 O ASN A 15 5.579 1.174 -3.787 1.00 64.21 O ATOM 17 CB ASN A 15 6.849 2.829 -1.111 1.00 5.15 C ATOM 18 CG ASN A 15 6.378 4.261 -0.806 1.00 30.12 C ATOM 19 OD1 ASN A 15 5.416 4.762 -1.373 1.00 31.21 O ATOM 20 ND2 ASN A 15 7.067 4.924 0.090 1.00 52.00 N ATOM 0 H ASN A 15 6.162 0.106 -2.553 1.00 51.41 H new ATOM 0 HA ASN A 15 4.936 2.005 -0.808 1.00 32.15 H new ATOM 0 HB2 ASN A 15 7.345 2.431 -0.226 1.00 5.15 H new ATOM 0 HB3 ASN A 15 7.596 2.871 -1.903 1.00 5.15 H new ATOM 0 HD21 ASN A 15 6.806 5.880 0.329 1.00 52.00 H new ATOM 0 HD22 ASN A 15 7.865 4.484 0.548 1.00 52.00 H new ATOM 27 N ARG A 16 4.684 3.112 -3.305 1.00 53.24 N ATOM 28 CA ARG A 16 4.133 3.232 -4.632 1.00 53.20 C ATOM 29 C ARG A 16 5.162 3.362 -5.746 1.00 41.14 C ATOM 30 O ARG A 16 4.912 2.920 -6.855 1.00 11.14 O ATOM 31 CB ARG A 16 3.011 4.244 -4.684 1.00 11.50 C ATOM 32 CG ARG A 16 1.804 3.839 -3.813 1.00 71.30 C ATOM 33 CD ARG A 16 1.122 2.528 -4.292 1.00 75.04 C ATOM 34 NE ARG A 16 1.929 1.298 -4.043 1.00 50.01 N ATOM 35 CZ ARG A 16 2.269 0.368 -4.967 1.00 34.12 C ATOM 36 NH1 ARG A 16 1.914 0.525 -6.248 1.00 34.35 N ATOM 37 NH2 ARG A 16 2.973 -0.692 -4.609 1.00 43.35 N ATOM 0 H ARG A 16 4.541 3.919 -2.698 1.00 53.24 H new ATOM 0 HA ARG A 16 3.679 2.266 -4.854 1.00 53.20 H new ATOM 0 HB2 ARG A 16 3.385 5.212 -4.352 1.00 11.50 H new ATOM 0 HB3 ARG A 16 2.684 4.366 -5.717 1.00 11.50 H new ATOM 0 HG2 ARG A 16 2.133 3.715 -2.781 1.00 71.30 H new ATOM 0 HG3 ARG A 16 1.072 4.646 -3.819 1.00 71.30 H new ATOM 0 HD2 ARG A 16 0.160 2.427 -3.790 1.00 75.04 H new ATOM 0 HD3 ARG A 16 0.918 2.606 -5.360 1.00 75.04 H new ATOM 0 HE ARG A 16 2.255 1.143 -3.089 1.00 50.01 H new ATOM 0 HH11 ARG A 16 1.384 1.349 -6.533 1.00 34.35 H new ATOM 0 HH12 ARG A 16 2.173 -0.179 -6.939 1.00 34.35 H new ATOM 0 HH21 ARG A 16 3.260 -0.809 -3.637 1.00 43.35 H new ATOM 0 HH22 ARG A 16 3.229 -1.393 -5.305 1.00 43.35 H new ATOM 51 N HIS A 17 6.306 3.952 -5.453 1.00 11.44 N ATOM 52 CA HIS A 17 7.389 3.971 -6.425 1.00 61.05 C ATOM 53 C HIS A 17 8.183 2.691 -6.219 1.00 24.31 C ATOM 54 O HIS A 17 8.527 2.006 -7.160 1.00 63.32 O ATOM 55 CB HIS A 17 8.286 5.210 -6.255 1.00 34.14 C ATOM 56 CG HIS A 17 9.210 5.473 -7.431 1.00 11.41 C ATOM 57 ND1 HIS A 17 9.937 6.633 -7.589 1.00 21.55 N ATOM 58 CD2 HIS A 17 9.479 4.719 -8.538 1.00 30.12 C ATOM 59 CE1 HIS A 17 10.592 6.556 -8.747 1.00 74.24 C ATOM 60 NE2 HIS A 17 10.350 5.418 -9.363 1.00 43.23 N ATOM 0 H HIS A 17 6.510 4.417 -4.568 1.00 11.44 H new ATOM 0 HA HIS A 17 6.989 4.026 -7.437 1.00 61.05 H new ATOM 0 HB2 HIS A 17 7.654 6.084 -6.101 1.00 34.14 H new ATOM 0 HB3 HIS A 17 8.888 5.089 -5.354 1.00 34.14 H new ATOM 0 HD2 HIS A 17 9.078 3.736 -8.739 1.00 30.12 H new ATOM 0 HE1 HIS A 17 11.240 7.330 -9.132 1.00 74.24 H new ATOM 0 HE2 HIS A 17 10.725 5.113 -10.261 1.00 43.23 H new ATOM 68 N ALA A 18 8.354 2.348 -4.918 1.00 51.21 N ATOM 69 CA ALA A 18 9.067 1.148 -4.420 1.00 54.14 C ATOM 70 C ALA A 18 8.547 -0.142 -4.993 1.00 71.53 C ATOM 71 O ALA A 18 9.109 -1.196 -4.754 1.00 54.35 O ATOM 72 CB ALA A 18 9.145 1.100 -2.920 1.00 42.30 C ATOM 0 H ALA A 18 7.985 2.922 -4.160 1.00 51.21 H new ATOM 0 HA ALA A 18 10.087 1.253 -4.790 1.00 54.14 H new ATOM 0 HB1 ALA A 18 9.677 0.200 -2.612 1.00 42.30 H new ATOM 0 HB2 ALA A 18 9.676 1.979 -2.555 1.00 42.30 H new ATOM 0 HB3 ALA A 18 8.138 1.086 -2.504 1.00 42.30 H new ATOM 78 N ALA A 19 7.393 -0.080 -5.635 1.00 10.15 N ATOM 79 CA ALA A 19 6.876 -1.178 -6.419 1.00 25.13 C ATOM 80 C ALA A 19 7.950 -1.654 -7.430 1.00 52.14 C ATOM 81 O ALA A 19 7.905 -2.807 -7.905 1.00 3.10 O ATOM 82 CB ALA A 19 5.612 -0.749 -7.150 1.00 65.42 C ATOM 0 H ALA A 19 6.788 0.741 -5.624 1.00 10.15 H new ATOM 0 HA ALA A 19 6.628 -2.006 -5.754 1.00 25.13 H new ATOM 0 HB1 ALA A 19 5.231 -1.584 -7.738 1.00 65.42 H new ATOM 0 HB2 ALA A 19 4.859 -0.442 -6.425 1.00 65.42 H new ATOM 0 HB3 ALA A 19 5.840 0.086 -7.812 1.00 65.42 H new ATOM 88 N ASP A 20 8.922 -0.763 -7.730 1.00 33.34 N ATOM 89 CA ASP A 20 10.070 -1.096 -8.568 1.00 34.22 C ATOM 90 C ASP A 20 10.886 -2.233 -7.928 1.00 20.01 C ATOM 91 O ASP A 20 11.441 -3.052 -8.623 1.00 13.24 O ATOM 92 CB ASP A 20 10.965 0.139 -8.894 1.00 14.35 C ATOM 93 CG ASP A 20 11.754 0.722 -7.740 1.00 55.44 C ATOM 94 OD1 ASP A 20 11.174 0.960 -6.653 1.00 62.12 O ATOM 95 OD2 ASP A 20 12.972 0.957 -7.915 1.00 53.14 O ATOM 0 H ASP A 20 8.922 0.200 -7.394 1.00 33.34 H new ATOM 0 HA ASP A 20 9.680 -1.441 -9.526 1.00 34.22 H new ATOM 0 HB2 ASP A 20 11.666 -0.145 -9.679 1.00 14.35 H new ATOM 0 HB3 ASP A 20 10.329 0.923 -9.304 1.00 14.35 H new ATOM 100 N TYR A 21 10.883 -2.310 -6.598 1.00 62.10 N ATOM 101 CA TYR A 21 11.503 -3.422 -5.840 1.00 44.13 C ATOM 102 C TYR A 21 10.909 -4.783 -6.258 1.00 74.40 C ATOM 103 O TYR A 21 11.647 -5.767 -6.427 1.00 60.22 O ATOM 104 CB TYR A 21 11.377 -3.151 -4.305 1.00 11.23 C ATOM 105 CG TYR A 21 11.413 -4.361 -3.383 1.00 4.35 C ATOM 106 CD1 TYR A 21 12.367 -5.360 -3.507 1.00 64.23 C ATOM 107 CD2 TYR A 21 10.449 -4.503 -2.399 1.00 51.35 C ATOM 108 CE1 TYR A 21 12.354 -6.457 -2.683 1.00 44.45 C ATOM 109 CE2 TYR A 21 10.429 -5.599 -1.571 1.00 44.24 C ATOM 110 CZ TYR A 21 11.383 -6.576 -1.714 1.00 15.21 C ATOM 111 OH TYR A 21 11.344 -7.691 -0.897 1.00 53.10 O ATOM 0 H TYR A 21 10.451 -1.604 -6.003 1.00 62.10 H new ATOM 0 HA TYR A 21 12.565 -3.472 -6.079 1.00 44.13 H new ATOM 0 HB2 TYR A 21 12.184 -2.479 -4.013 1.00 11.23 H new ATOM 0 HB3 TYR A 21 10.441 -2.620 -4.131 1.00 11.23 H new ATOM 0 HD1 TYR A 21 13.132 -5.273 -4.264 1.00 64.23 H new ATOM 0 HD2 TYR A 21 9.698 -3.736 -2.280 1.00 51.35 H new ATOM 0 HE1 TYR A 21 13.104 -7.226 -2.794 1.00 44.45 H new ATOM 0 HE2 TYR A 21 9.667 -5.692 -0.811 1.00 44.24 H new ATOM 0 HH TYR A 21 12.074 -8.299 -1.138 1.00 53.10 H new ATOM 121 N GLN A 22 9.606 -4.849 -6.481 1.00 55.11 N ATOM 122 CA GLN A 22 9.022 -6.122 -6.935 1.00 55.13 C ATOM 123 C GLN A 22 9.380 -6.405 -8.389 1.00 35.03 C ATOM 124 O GLN A 22 9.354 -7.530 -8.845 1.00 22.45 O ATOM 125 CB GLN A 22 7.509 -6.264 -6.693 1.00 14.11 C ATOM 126 CG GLN A 22 7.110 -6.442 -5.223 1.00 23.32 C ATOM 127 CD GLN A 22 7.054 -5.157 -4.414 1.00 74.12 C ATOM 128 OE1 GLN A 22 7.333 -5.151 -3.216 1.00 43.30 O ATOM 129 NE2 GLN A 22 6.642 -4.091 -5.034 1.00 64.32 N ATOM 0 H GLN A 22 8.948 -4.078 -6.365 1.00 55.11 H new ATOM 0 HA GLN A 22 9.478 -6.883 -6.302 1.00 55.13 H new ATOM 0 HB2 GLN A 22 7.007 -5.380 -7.087 1.00 14.11 H new ATOM 0 HB3 GLN A 22 7.142 -7.119 -7.261 1.00 14.11 H new ATOM 0 HG2 GLN A 22 6.132 -6.922 -5.183 1.00 23.32 H new ATOM 0 HG3 GLN A 22 7.818 -7.122 -4.749 1.00 23.32 H new ATOM 0 HE21 GLN A 22 6.420 -4.133 -6.029 1.00 64.32 H new ATOM 0 HE22 GLN A 22 6.541 -3.212 -4.526 1.00 64.32 H new ATOM 138 N GLN A 23 9.724 -5.368 -9.111 1.00 12.34 N ATOM 139 CA GLN A 23 10.193 -5.522 -10.466 1.00 24.54 C ATOM 140 C GLN A 23 11.664 -5.848 -10.480 1.00 73.33 C ATOM 141 O GLN A 23 12.180 -6.332 -11.452 1.00 31.01 O ATOM 142 CB GLN A 23 9.895 -4.294 -11.313 1.00 73.20 C ATOM 143 CG GLN A 23 8.435 -4.165 -11.701 1.00 50.12 C ATOM 144 CD GLN A 23 7.974 -5.344 -12.549 1.00 71.04 C ATOM 145 OE1 GLN A 23 8.076 -5.317 -13.779 1.00 71.13 O ATOM 146 NE2 GLN A 23 7.489 -6.384 -11.914 1.00 3.51 N ATOM 0 H GLN A 23 9.688 -4.403 -8.781 1.00 12.34 H new ATOM 0 HA GLN A 23 9.650 -6.355 -10.912 1.00 24.54 H new ATOM 0 HB2 GLN A 23 10.197 -3.402 -10.764 1.00 73.20 H new ATOM 0 HB3 GLN A 23 10.501 -4.331 -12.218 1.00 73.20 H new ATOM 0 HG2 GLN A 23 7.823 -4.102 -10.801 1.00 50.12 H new ATOM 0 HG3 GLN A 23 8.285 -3.238 -12.254 1.00 50.12 H new ATOM 0 HE21 GLN A 23 7.419 -6.373 -10.896 1.00 3.51 H new ATOM 0 HE22 GLN A 23 7.182 -7.204 -12.438 1.00 3.51 H new ATOM 155 N LEU A 24 12.321 -5.534 -9.404 1.00 35.25 N ATOM 156 CA LEU A 24 13.713 -5.824 -9.230 1.00 51.51 C ATOM 157 C LEU A 24 13.925 -7.322 -9.074 1.00 52.31 C ATOM 158 O LEU A 24 14.410 -7.966 -10.000 1.00 53.24 O ATOM 159 CB LEU A 24 14.225 -5.061 -7.989 1.00 73.43 C ATOM 160 CG LEU A 24 15.631 -5.372 -7.474 1.00 13.32 C ATOM 161 CD1 LEU A 24 16.665 -5.156 -8.541 1.00 14.45 C ATOM 162 CD2 LEU A 24 15.937 -4.515 -6.260 1.00 64.15 C ATOM 0 H LEU A 24 11.896 -5.060 -8.607 1.00 35.25 H new ATOM 0 HA LEU A 24 14.273 -5.502 -10.108 1.00 51.51 H new ATOM 0 HB2 LEU A 24 14.182 -3.995 -8.213 1.00 73.43 H new ATOM 0 HB3 LEU A 24 13.525 -5.244 -7.174 1.00 73.43 H new ATOM 0 HG LEU A 24 15.664 -6.424 -7.189 1.00 13.32 H new ATOM 0 HD11 LEU A 24 17.653 -5.386 -8.142 1.00 14.45 H new ATOM 0 HD12 LEU A 24 16.455 -5.808 -9.389 1.00 14.45 H new ATOM 0 HD13 LEU A 24 16.639 -4.117 -8.868 1.00 14.45 H new ATOM 0 HD21 LEU A 24 16.940 -4.742 -5.898 1.00 64.15 H new ATOM 0 HD22 LEU A 24 15.880 -3.462 -6.534 1.00 64.15 H new ATOM 0 HD23 LEU A 24 15.212 -4.725 -5.474 1.00 64.15 H new ATOM 174 N ARG A 25 13.443 -7.878 -7.961 1.00 1.51 N ATOM 175 CA ARG A 25 13.690 -9.241 -7.576 1.00 51.01 C ATOM 176 C ARG A 25 13.270 -10.224 -8.642 1.00 25.14 C ATOM 177 O ARG A 25 14.087 -11.032 -9.117 1.00 41.22 O ATOM 178 CB ARG A 25 12.943 -9.526 -6.304 1.00 74.00 C ATOM 179 CG ARG A 25 13.203 -10.899 -5.769 1.00 24.20 C ATOM 180 CD ARG A 25 12.448 -11.128 -4.485 1.00 35.21 C ATOM 181 NE ARG A 25 11.051 -10.833 -4.694 1.00 72.24 N ATOM 182 CZ ARG A 25 10.296 -10.125 -3.886 1.00 70.53 C ATOM 183 NH1 ARG A 25 10.726 -9.821 -2.647 1.00 11.14 N ATOM 184 NH2 ARG A 25 9.106 -9.708 -4.322 1.00 32.04 N ATOM 0 H ARG A 25 12.859 -7.370 -7.297 1.00 1.51 H new ATOM 0 HA ARG A 25 14.764 -9.362 -7.432 1.00 51.01 H new ATOM 0 HB2 ARG A 25 13.224 -8.789 -5.551 1.00 74.00 H new ATOM 0 HB3 ARG A 25 11.874 -9.408 -6.482 1.00 74.00 H new ATOM 0 HG2 ARG A 25 12.906 -11.644 -6.508 1.00 24.20 H new ATOM 0 HG3 ARG A 25 14.271 -11.030 -5.596 1.00 24.20 H new ATOM 0 HD2 ARG A 25 12.568 -12.161 -4.158 1.00 35.21 H new ATOM 0 HD3 ARG A 25 12.851 -10.495 -3.695 1.00 35.21 H new ATOM 0 HE ARG A 25 10.615 -11.205 -5.538 1.00 72.24 H new ATOM 0 HH11 ARG A 25 11.642 -10.141 -2.332 1.00 11.14 H new ATOM 0 HH12 ARG A 25 10.136 -9.271 -2.023 1.00 11.14 H new ATOM 0 HH21 ARG A 25 8.799 -9.940 -5.266 1.00 32.04 H new ATOM 0 HH22 ARG A 25 8.503 -9.157 -3.711 1.00 32.04 H new ATOM 198 N GLU A 26 12.031 -10.110 -9.042 1.00 22.01 N ATOM 199 CA GLU A 26 11.430 -10.979 -10.014 1.00 25.21 C ATOM 200 C GLU A 26 12.161 -10.994 -11.363 1.00 13.05 C ATOM 201 O GLU A 26 12.065 -11.957 -12.110 1.00 41.54 O ATOM 202 CB GLU A 26 9.951 -10.661 -10.159 1.00 42.43 C ATOM 203 CG GLU A 26 9.071 -11.327 -9.084 1.00 72.15 C ATOM 204 CD GLU A 26 9.446 -11.016 -7.628 1.00 54.11 C ATOM 205 OE1 GLU A 26 10.343 -11.683 -7.092 1.00 34.44 O ATOM 206 OE2 GLU A 26 8.833 -10.126 -6.995 1.00 63.10 O ATOM 0 H GLU A 26 11.398 -9.392 -8.691 1.00 22.01 H new ATOM 0 HA GLU A 26 11.529 -11.997 -9.638 1.00 25.21 H new ATOM 0 HB2 GLU A 26 9.813 -9.581 -10.112 1.00 42.43 H new ATOM 0 HB3 GLU A 26 9.613 -10.983 -11.144 1.00 42.43 H new ATOM 0 HG2 GLU A 26 8.037 -11.021 -9.247 1.00 72.15 H new ATOM 0 HG3 GLU A 26 9.110 -12.407 -9.227 1.00 72.15 H new ATOM 213 N ARG A 27 12.927 -9.946 -11.656 1.00 5.14 N ATOM 214 CA ARG A 27 13.671 -9.897 -12.898 1.00 73.00 C ATOM 215 C ARG A 27 15.019 -10.581 -12.823 1.00 54.05 C ATOM 216 O ARG A 27 15.513 -11.065 -13.834 1.00 73.32 O ATOM 217 CB ARG A 27 13.756 -8.512 -13.474 1.00 75.12 C ATOM 218 CG ARG A 27 12.390 -8.013 -13.861 1.00 52.25 C ATOM 219 CD ARG A 27 12.461 -6.754 -14.657 1.00 52.22 C ATOM 220 NE ARG A 27 11.116 -6.200 -14.909 1.00 35.00 N ATOM 221 CZ ARG A 27 10.686 -5.679 -16.064 1.00 34.11 C ATOM 222 NH1 ARG A 27 11.480 -5.682 -17.144 1.00 22.43 N ATOM 223 NH2 ARG A 27 9.451 -5.176 -16.141 1.00 43.35 N ATOM 0 H ARG A 27 13.044 -9.131 -11.054 1.00 5.14 H new ATOM 0 HA ARG A 27 13.086 -10.486 -13.605 1.00 73.00 H new ATOM 0 HB2 ARG A 27 14.203 -7.836 -12.745 1.00 75.12 H new ATOM 0 HB3 ARG A 27 14.409 -8.515 -14.347 1.00 75.12 H new ATOM 0 HG2 ARG A 27 11.874 -8.779 -14.440 1.00 52.25 H new ATOM 0 HG3 ARG A 27 11.799 -7.841 -12.962 1.00 52.25 H new ATOM 0 HD2 ARG A 27 13.065 -6.019 -14.125 1.00 52.22 H new ATOM 0 HD3 ARG A 27 12.959 -6.950 -15.606 1.00 52.22 H new ATOM 0 HE ARG A 27 10.455 -6.216 -14.133 1.00 35.00 H new ATOM 0 HH11 ARG A 27 12.416 -6.083 -17.087 1.00 22.43 H new ATOM 0 HH12 ARG A 27 11.148 -5.284 -18.022 1.00 22.43 H new ATOM 0 HH21 ARG A 27 8.842 -5.191 -15.323 1.00 43.35 H new ATOM 0 HH22 ARG A 27 9.117 -4.777 -17.018 1.00 43.35 H new ATOM 237 N LEU A 28 15.615 -10.670 -11.626 1.00 21.13 N ATOM 238 CA LEU A 28 16.867 -11.453 -11.504 1.00 54.55 C ATOM 239 C LEU A 28 16.501 -12.896 -11.672 1.00 15.02 C ATOM 240 O LEU A 28 17.205 -13.672 -12.287 1.00 52.45 O ATOM 241 CB LEU A 28 17.603 -11.304 -10.147 1.00 41.14 C ATOM 242 CG LEU A 28 18.180 -9.940 -9.771 1.00 34.22 C ATOM 243 CD1 LEU A 28 17.099 -9.000 -9.363 1.00 11.11 C ATOM 244 CD2 LEU A 28 19.212 -10.085 -8.672 1.00 33.35 C ATOM 0 H LEU A 28 15.279 -10.237 -10.766 1.00 21.13 H new ATOM 0 HA LEU A 28 17.552 -11.075 -12.263 1.00 54.55 H new ATOM 0 HB2 LEU A 28 16.908 -11.597 -9.360 1.00 41.14 H new ATOM 0 HB3 LEU A 28 18.421 -12.024 -10.134 1.00 41.14 H new ATOM 0 HG LEU A 28 18.672 -9.523 -10.650 1.00 34.22 H new ATOM 0 HD11 LEU A 28 17.535 -8.036 -9.100 1.00 11.11 H new ATOM 0 HD12 LEU A 28 16.400 -8.869 -10.189 1.00 11.11 H new ATOM 0 HD13 LEU A 28 16.570 -9.406 -8.501 1.00 11.11 H new ATOM 0 HD21 LEU A 28 19.612 -9.104 -8.417 1.00 33.35 H new ATOM 0 HD22 LEU A 28 18.746 -10.527 -7.791 1.00 33.35 H new ATOM 0 HD23 LEU A 28 20.022 -10.729 -9.016 1.00 33.35 H new ATOM 256 N ILE A 29 15.348 -13.212 -11.140 1.00 14.41 N ATOM 257 CA ILE A 29 14.737 -14.529 -11.188 1.00 63.14 C ATOM 258 C ILE A 29 14.573 -15.045 -12.615 1.00 5.12 C ATOM 259 O ILE A 29 14.672 -16.243 -12.862 1.00 22.42 O ATOM 260 CB ILE A 29 13.389 -14.497 -10.374 1.00 34.33 C ATOM 261 CG1 ILE A 29 13.635 -14.858 -8.919 1.00 41.24 C ATOM 262 CG2 ILE A 29 12.269 -15.344 -10.954 1.00 71.22 C ATOM 263 CD1 ILE A 29 14.718 -14.073 -8.264 1.00 63.22 C ATOM 0 H ILE A 29 14.778 -12.532 -10.637 1.00 14.41 H new ATOM 0 HA ILE A 29 15.403 -15.251 -10.716 1.00 63.14 H new ATOM 0 HB ILE A 29 13.035 -13.469 -10.449 1.00 34.33 H new ATOM 0 HG12 ILE A 29 12.710 -14.714 -8.360 1.00 41.24 H new ATOM 0 HG13 ILE A 29 13.883 -15.918 -8.857 1.00 41.24 H new ATOM 0 HG21 ILE A 29 11.384 -15.257 -10.324 1.00 71.22 H new ATOM 0 HG22 ILE A 29 12.034 -14.997 -11.960 1.00 71.22 H new ATOM 0 HG23 ILE A 29 12.585 -16.387 -10.994 1.00 71.22 H new ATOM 0 HD11 ILE A 29 14.826 -14.396 -7.228 1.00 63.22 H new ATOM 0 HD12 ILE A 29 15.657 -14.235 -8.794 1.00 63.22 H new ATOM 0 HD13 ILE A 29 14.465 -13.013 -8.289 1.00 63.22 H new ATOM 275 N GLN A 30 14.412 -14.137 -13.550 1.00 3.33 N ATOM 276 CA GLN A 30 14.254 -14.507 -14.939 1.00 3.14 C ATOM 277 C GLN A 30 15.583 -14.982 -15.513 1.00 75.43 C ATOM 278 O GLN A 30 15.619 -15.877 -16.344 1.00 41.13 O ATOM 279 CB GLN A 30 13.731 -13.337 -15.743 1.00 53.31 C ATOM 280 CG GLN A 30 12.506 -12.692 -15.131 1.00 31.14 C ATOM 281 CD GLN A 30 11.909 -11.611 -16.011 1.00 53.23 C ATOM 282 OE1 GLN A 30 12.263 -10.444 -15.922 1.00 24.02 O ATOM 283 NE2 GLN A 30 10.999 -11.994 -16.872 1.00 33.24 N ATOM 0 H GLN A 30 14.387 -13.133 -13.373 1.00 3.33 H new ATOM 0 HA GLN A 30 13.532 -15.322 -14.998 1.00 3.14 H new ATOM 0 HB2 GLN A 30 14.518 -12.589 -15.838 1.00 53.31 H new ATOM 0 HB3 GLN A 30 13.490 -13.676 -16.751 1.00 53.31 H new ATOM 0 HG2 GLN A 30 11.753 -13.458 -14.943 1.00 31.14 H new ATOM 0 HG3 GLN A 30 12.772 -12.262 -14.165 1.00 31.14 H new ATOM 0 HE21 GLN A 30 10.725 -12.975 -16.922 1.00 33.24 H new ATOM 0 HE22 GLN A 30 10.564 -11.311 -17.492 1.00 33.24 H new ATOM 292 N GLU A 31 16.668 -14.386 -15.046 1.00 33.45 N ATOM 293 CA GLU A 31 18.000 -14.774 -15.500 1.00 71.24 C ATOM 294 C GLU A 31 18.474 -15.992 -14.725 1.00 60.45 C ATOM 295 O GLU A 31 19.188 -16.841 -15.248 1.00 34.41 O ATOM 296 CB GLU A 31 19.021 -13.652 -15.284 1.00 32.32 C ATOM 297 CG GLU A 31 18.661 -12.317 -15.895 1.00 21.41 C ATOM 298 CD GLU A 31 19.783 -11.322 -15.744 1.00 13.24 C ATOM 299 OE1 GLU A 31 20.019 -10.848 -14.636 1.00 40.13 O ATOM 300 OE2 GLU A 31 20.469 -10.985 -16.736 1.00 43.22 O ATOM 0 H GLU A 31 16.657 -13.635 -14.356 1.00 33.45 H new ATOM 0 HA GLU A 31 17.927 -14.992 -16.566 1.00 71.24 H new ATOM 0 HB2 GLU A 31 19.162 -13.515 -14.212 1.00 32.32 H new ATOM 0 HB3 GLU A 31 19.979 -13.973 -15.693 1.00 32.32 H new ATOM 0 HG2 GLU A 31 18.430 -12.449 -16.952 1.00 21.41 H new ATOM 0 HG3 GLU A 31 17.761 -11.928 -15.418 1.00 21.41 H new ATOM 307 N LEU A 32 18.075 -16.055 -13.466 1.00 35.43 N ATOM 308 CA LEU A 32 18.499 -17.102 -12.580 1.00 34.34 C ATOM 309 C LEU A 32 17.733 -18.400 -12.800 1.00 43.30 C ATOM 310 O LEU A 32 18.172 -19.463 -12.363 1.00 24.52 O ATOM 311 CB LEU A 32 18.439 -16.621 -11.119 1.00 60.12 C ATOM 312 CG LEU A 32 19.314 -15.395 -10.819 1.00 75.22 C ATOM 313 CD1 LEU A 32 19.348 -15.044 -9.328 1.00 75.23 C ATOM 314 CD2 LEU A 32 20.714 -15.568 -11.382 1.00 63.33 C ATOM 0 H LEU A 32 17.446 -15.375 -13.038 1.00 35.43 H new ATOM 0 HA LEU A 32 19.538 -17.337 -12.813 1.00 34.34 H new ATOM 0 HB2 LEU A 32 17.405 -16.384 -10.869 1.00 60.12 H new ATOM 0 HB3 LEU A 32 18.745 -17.439 -10.467 1.00 60.12 H new ATOM 0 HG LEU A 32 18.850 -14.548 -11.324 1.00 75.22 H new ATOM 0 HD11 LEU A 32 19.981 -14.170 -9.174 1.00 75.23 H new ATOM 0 HD12 LEU A 32 18.338 -14.825 -8.983 1.00 75.23 H new ATOM 0 HD13 LEU A 32 19.750 -15.886 -8.765 1.00 75.23 H new ATOM 0 HD21 LEU A 32 21.310 -14.684 -11.154 1.00 63.33 H new ATOM 0 HD22 LEU A 32 21.180 -16.446 -10.934 1.00 63.33 H new ATOM 0 HD23 LEU A 32 20.658 -15.699 -12.463 1.00 63.33 H new ATOM 326 N ASN A 33 16.572 -18.287 -13.461 1.00 61.21 N ATOM 327 CA ASN A 33 15.713 -19.435 -13.857 1.00 13.35 C ATOM 328 C ASN A 33 15.188 -20.174 -12.604 1.00 20.50 C ATOM 329 O ASN A 33 14.838 -21.356 -12.627 1.00 15.31 O ATOM 330 CB ASN A 33 16.498 -20.394 -14.794 1.00 3.14 C ATOM 331 CG ASN A 33 15.635 -21.471 -15.454 1.00 1.13 C ATOM 332 OD1 ASN A 33 14.465 -21.265 -15.750 1.00 70.20 O ATOM 333 ND2 ASN A 33 16.214 -22.626 -15.686 1.00 32.05 N ATOM 0 H ASN A 33 16.189 -17.385 -13.744 1.00 61.21 H new ATOM 0 HA ASN A 33 14.850 -19.060 -14.407 1.00 13.35 H new ATOM 0 HB2 ASN A 33 16.984 -19.806 -15.573 1.00 3.14 H new ATOM 0 HB3 ASN A 33 17.288 -20.878 -14.220 1.00 3.14 H new ATOM 0 HD21 ASN A 33 15.687 -23.382 -16.124 1.00 32.05 H new ATOM 0 HD22 ASN A 33 17.191 -22.768 -15.428 1.00 32.05 H new ATOM 340 N LEU A 34 15.100 -19.447 -11.528 1.00 10.32 N ATOM 341 CA LEU A 34 14.636 -19.971 -10.286 1.00 11.12 C ATOM 342 C LEU A 34 13.646 -19.015 -9.688 1.00 51.40 C ATOM 343 O LEU A 34 13.685 -17.849 -10.001 1.00 20.21 O ATOM 344 CB LEU A 34 15.821 -20.307 -9.349 1.00 5.33 C ATOM 345 CG LEU A 34 16.886 -19.224 -9.075 1.00 24.10 C ATOM 346 CD1 LEU A 34 16.364 -18.102 -8.194 1.00 61.34 C ATOM 347 CD2 LEU A 34 18.108 -19.858 -8.462 1.00 22.24 C ATOM 0 H LEU A 34 15.353 -18.460 -11.493 1.00 10.32 H new ATOM 0 HA LEU A 34 14.118 -20.917 -10.445 1.00 11.12 H new ATOM 0 HB2 LEU A 34 15.405 -20.611 -8.388 1.00 5.33 H new ATOM 0 HB3 LEU A 34 16.333 -21.175 -9.764 1.00 5.33 H new ATOM 0 HG LEU A 34 17.149 -18.771 -10.031 1.00 24.10 H new ATOM 0 HD11 LEU A 34 17.154 -17.368 -8.033 1.00 61.34 H new ATOM 0 HD12 LEU A 34 15.516 -17.621 -8.681 1.00 61.34 H new ATOM 0 HD13 LEU A 34 16.047 -18.510 -7.234 1.00 61.34 H new ATOM 0 HD21 LEU A 34 18.858 -19.091 -8.270 1.00 22.24 H new ATOM 0 HD22 LEU A 34 17.835 -20.342 -7.524 1.00 22.24 H new ATOM 0 HD23 LEU A 34 18.516 -20.600 -9.148 1.00 22.24 H new ATOM 359 N THR A 35 12.759 -19.495 -8.854 1.00 51.33 N ATOM 360 CA THR A 35 11.737 -18.653 -8.273 1.00 54.41 C ATOM 361 C THR A 35 12.346 -17.748 -7.185 1.00 3.24 C ATOM 362 O THR A 35 13.414 -18.064 -6.650 1.00 70.24 O ATOM 363 CB THR A 35 10.606 -19.530 -7.680 1.00 74.20 C ATOM 364 OG1 THR A 35 11.174 -20.499 -6.794 1.00 42.14 O ATOM 365 CG2 THR A 35 9.833 -20.239 -8.784 1.00 41.12 C ATOM 0 H THR A 35 12.722 -20.471 -8.559 1.00 51.33 H new ATOM 0 HA THR A 35 11.315 -18.017 -9.052 1.00 54.41 H new ATOM 0 HB THR A 35 9.915 -18.887 -7.135 1.00 74.20 H new ATOM 0 HG1 THR A 35 10.461 -21.054 -6.416 1.00 42.14 H new ATOM 0 HG21 THR A 35 9.045 -20.848 -8.342 1.00 41.12 H new ATOM 0 HG22 THR A 35 9.390 -19.499 -9.451 1.00 41.12 H new ATOM 0 HG23 THR A 35 10.511 -20.878 -9.350 1.00 41.12 H new ATOM 373 N PRO A 36 11.671 -16.623 -6.809 1.00 4.11 N ATOM 374 CA PRO A 36 12.177 -15.676 -5.772 1.00 34.22 C ATOM 375 C PRO A 36 12.312 -16.323 -4.368 1.00 31.25 C ATOM 376 O PRO A 36 12.756 -15.706 -3.428 1.00 30.21 O ATOM 377 CB PRO A 36 11.110 -14.572 -5.738 1.00 14.54 C ATOM 378 CG PRO A 36 9.897 -15.184 -6.346 1.00 24.21 C ATOM 379 CD PRO A 36 10.398 -16.133 -7.389 1.00 62.33 C ATOM 0 HA PRO A 36 13.179 -15.324 -6.018 1.00 34.22 H new ATOM 0 HB2 PRO A 36 10.916 -14.243 -4.717 1.00 14.54 H new ATOM 0 HB3 PRO A 36 11.432 -13.695 -6.299 1.00 14.54 H new ATOM 0 HG2 PRO A 36 9.304 -15.706 -5.595 1.00 24.21 H new ATOM 0 HG3 PRO A 36 9.254 -14.422 -6.787 1.00 24.21 H new ATOM 0 HD2 PRO A 36 9.695 -16.947 -7.565 1.00 62.33 H new ATOM 0 HD3 PRO A 36 10.555 -15.635 -8.346 1.00 62.33 H new ATOM 387 N GLN A 37 11.901 -17.562 -4.293 1.00 54.40 N ATOM 388 CA GLN A 37 11.902 -18.372 -3.087 1.00 52.24 C ATOM 389 C GLN A 37 13.136 -19.285 -3.078 1.00 11.44 C ATOM 390 O GLN A 37 13.573 -19.753 -2.029 1.00 64.23 O ATOM 391 CB GLN A 37 10.605 -19.203 -3.012 1.00 25.34 C ATOM 392 CG GLN A 37 10.480 -20.089 -1.771 1.00 73.11 C ATOM 393 CD GLN A 37 10.512 -19.302 -0.471 1.00 74.13 C ATOM 394 OE1 GLN A 37 9.484 -18.881 0.036 1.00 13.43 O ATOM 395 NE2 GLN A 37 11.690 -19.094 0.066 1.00 21.43 N ATOM 0 H GLN A 37 11.539 -18.063 -5.104 1.00 54.40 H new ATOM 0 HA GLN A 37 11.945 -17.723 -2.213 1.00 52.24 H new ATOM 0 HB2 GLN A 37 9.753 -18.524 -3.043 1.00 25.34 H new ATOM 0 HB3 GLN A 37 10.543 -19.834 -3.899 1.00 25.34 H new ATOM 0 HG2 GLN A 37 9.548 -20.651 -1.826 1.00 73.11 H new ATOM 0 HG3 GLN A 37 11.291 -20.817 -1.768 1.00 73.11 H new ATOM 0 HE21 GLN A 37 12.528 -19.461 -0.385 1.00 21.43 H new ATOM 0 HE22 GLN A 37 11.768 -18.566 0.935 1.00 21.43 H new ATOM 404 N GLN A 38 13.687 -19.539 -4.266 1.00 54.15 N ATOM 405 CA GLN A 38 14.914 -20.326 -4.384 1.00 63.11 C ATOM 406 C GLN A 38 16.061 -19.375 -4.192 1.00 5.22 C ATOM 407 O GLN A 38 17.209 -19.757 -3.997 1.00 4.13 O ATOM 408 CB GLN A 38 15.027 -20.996 -5.753 1.00 75.05 C ATOM 409 CG GLN A 38 13.888 -21.943 -6.099 1.00 51.42 C ATOM 410 CD GLN A 38 13.709 -23.090 -5.114 1.00 12.34 C ATOM 411 OE1 GLN A 38 14.783 -23.548 -4.511 1.00 42.34 O flip ATOM 412 NE2 GLN A 38 12.607 -23.568 -4.914 1.00 13.52 N flip ATOM 0 H GLN A 38 13.306 -19.213 -5.154 1.00 54.15 H new ATOM 0 HA GLN A 38 14.916 -21.121 -3.638 1.00 63.11 H new ATOM 0 HB2 GLN A 38 15.080 -20.221 -6.517 1.00 75.05 H new ATOM 0 HB3 GLN A 38 15.965 -21.549 -5.794 1.00 75.05 H new ATOM 0 HG2 GLN A 38 12.960 -21.374 -6.149 1.00 51.42 H new ATOM 0 HG3 GLN A 38 14.063 -22.356 -7.092 1.00 51.42 H new ATOM 0 HE21 GLN A 38 11.792 -23.191 -5.397 1.00 13.52 H new ATOM 0 HE22 GLN A 38 12.499 -24.346 -4.263 1.00 13.52 H new ATOM 421 N LEU A 39 15.712 -18.133 -4.313 1.00 40.42 N ATOM 422 CA LEU A 39 16.549 -17.051 -4.034 1.00 55.23 C ATOM 423 C LEU A 39 16.358 -16.701 -2.562 1.00 52.13 C ATOM 424 O LEU A 39 15.240 -16.711 -2.060 1.00 24.30 O ATOM 425 CB LEU A 39 16.166 -15.855 -4.938 1.00 14.11 C ATOM 426 CG LEU A 39 16.478 -14.477 -4.370 1.00 4.52 C ATOM 427 CD1 LEU A 39 17.983 -14.272 -4.123 1.00 1.03 C ATOM 428 CD2 LEU A 39 15.930 -13.361 -5.229 1.00 74.13 C ATOM 0 H LEU A 39 14.783 -17.851 -4.627 1.00 40.42 H new ATOM 0 HA LEU A 39 17.593 -17.295 -4.229 1.00 55.23 H new ATOM 0 HB2 LEU A 39 16.684 -15.962 -5.891 1.00 14.11 H new ATOM 0 HB3 LEU A 39 15.098 -15.909 -5.148 1.00 14.11 H new ATOM 0 HG LEU A 39 15.971 -14.436 -3.406 1.00 4.52 H new ATOM 0 HD11 LEU A 39 18.153 -13.274 -3.718 1.00 1.03 H new ATOM 0 HD12 LEU A 39 18.340 -15.018 -3.412 1.00 1.03 H new ATOM 0 HD13 LEU A 39 18.524 -14.379 -5.063 1.00 1.03 H new ATOM 0 HD21 LEU A 39 16.180 -12.400 -4.780 1.00 74.13 H new ATOM 0 HD22 LEU A 39 16.368 -13.420 -6.226 1.00 74.13 H new ATOM 0 HD23 LEU A 39 14.847 -13.457 -5.302 1.00 74.13 H new ATOM 440 N HIS A 40 17.433 -16.438 -1.893 1.00 1.33 N ATOM 441 CA HIS A 40 17.383 -16.044 -0.520 1.00 44.05 C ATOM 442 C HIS A 40 17.095 -14.561 -0.366 1.00 5.41 C ATOM 443 O HIS A 40 17.877 -13.721 -0.798 1.00 4.31 O ATOM 444 CB HIS A 40 18.671 -16.388 0.190 1.00 2.11 C ATOM 445 CG HIS A 40 18.852 -17.850 0.477 1.00 64.31 C ATOM 446 ND1 HIS A 40 18.490 -18.436 1.669 1.00 60.45 N ATOM 447 CD2 HIS A 40 19.389 -18.838 -0.278 1.00 30.31 C ATOM 448 CE1 HIS A 40 18.809 -19.724 1.612 1.00 45.30 C ATOM 449 NE2 HIS A 40 19.363 -20.028 0.446 1.00 22.41 N ATOM 0 H HIS A 40 18.374 -16.490 -2.283 1.00 1.33 H new ATOM 0 HA HIS A 40 16.564 -16.599 -0.063 1.00 44.05 H new ATOM 0 HB2 HIS A 40 19.509 -16.043 -0.416 1.00 2.11 H new ATOM 0 HB3 HIS A 40 18.711 -15.838 1.130 1.00 2.11 H new ATOM 0 HD1 HIS A 40 18.052 -17.963 2.459 1.00 60.45 H new ATOM 0 HD2 HIS A 40 19.775 -18.722 -1.280 1.00 30.31 H new ATOM 0 HE1 HIS A 40 18.639 -20.431 2.411 1.00 45.30 H new ATOM 457 N GLU A 41 15.956 -14.264 0.207 1.00 1.44 N ATOM 458 CA GLU A 41 15.557 -12.895 0.507 1.00 74.33 C ATOM 459 C GLU A 41 16.169 -12.489 1.868 1.00 32.51 C ATOM 460 O GLU A 41 16.410 -11.312 2.159 1.00 11.55 O ATOM 461 CB GLU A 41 14.012 -12.811 0.536 1.00 61.34 C ATOM 462 CG GLU A 41 13.435 -11.415 0.762 1.00 41.53 C ATOM 463 CD GLU A 41 13.834 -10.425 -0.313 1.00 32.10 C ATOM 464 OE1 GLU A 41 14.941 -9.868 -0.219 1.00 30.13 O ATOM 465 OE2 GLU A 41 13.019 -10.170 -1.248 1.00 14.20 O ATOM 0 H GLU A 41 15.268 -14.964 0.484 1.00 1.44 H new ATOM 0 HA GLU A 41 15.920 -12.208 -0.258 1.00 74.33 H new ATOM 0 HB2 GLU A 41 13.627 -13.196 -0.408 1.00 61.34 H new ATOM 0 HB3 GLU A 41 13.644 -13.469 1.323 1.00 61.34 H new ATOM 0 HG2 GLU A 41 12.348 -11.480 0.802 1.00 41.53 H new ATOM 0 HG3 GLU A 41 13.768 -11.043 1.731 1.00 41.53 H new ATOM 472 N GLU A 42 16.429 -13.495 2.682 1.00 34.43 N ATOM 473 CA GLU A 42 17.005 -13.325 4.008 1.00 62.24 C ATOM 474 C GLU A 42 18.527 -13.477 4.010 1.00 41.45 C ATOM 475 O GLU A 42 19.220 -12.836 4.804 1.00 64.24 O ATOM 476 CB GLU A 42 16.350 -14.264 5.073 1.00 45.21 C ATOM 477 CG GLU A 42 15.782 -15.612 4.564 1.00 24.33 C ATOM 478 CD GLU A 42 16.682 -16.349 3.601 1.00 64.43 C ATOM 479 OE1 GLU A 42 17.628 -17.026 4.014 1.00 13.41 O ATOM 480 OE2 GLU A 42 16.469 -16.200 2.403 1.00 44.10 O ATOM 0 H GLU A 42 16.244 -14.468 2.440 1.00 34.43 H new ATOM 0 HA GLU A 42 16.778 -12.298 4.295 1.00 62.24 H new ATOM 0 HB2 GLU A 42 17.094 -14.478 5.840 1.00 45.21 H new ATOM 0 HB3 GLU A 42 15.541 -13.716 5.557 1.00 45.21 H new ATOM 0 HG2 GLU A 42 15.585 -16.255 5.422 1.00 24.33 H new ATOM 0 HG3 GLU A 42 14.824 -15.427 4.077 1.00 24.33 H new ATOM 487 N SER A 43 19.038 -14.311 3.141 1.00 54.23 N ATOM 488 CA SER A 43 20.458 -14.517 3.056 1.00 62.23 C ATOM 489 C SER A 43 21.070 -13.620 1.993 1.00 45.43 C ATOM 490 O SER A 43 20.364 -13.028 1.181 1.00 13.43 O ATOM 491 CB SER A 43 20.787 -15.974 2.770 1.00 23.34 C ATOM 492 OG SER A 43 20.295 -16.830 3.797 1.00 45.15 O ATOM 0 H SER A 43 18.488 -14.860 2.480 1.00 54.23 H new ATOM 0 HA SER A 43 20.888 -14.255 4.023 1.00 62.23 H new ATOM 0 HB2 SER A 43 20.354 -16.265 1.813 1.00 23.34 H new ATOM 0 HB3 SER A 43 21.867 -16.094 2.681 1.00 23.34 H new ATOM 0 HG SER A 43 19.335 -16.976 3.669 1.00 45.15 H new ATOM 498 N ASN A 44 22.386 -13.536 2.006 1.00 51.32 N ATOM 499 CA ASN A 44 23.132 -12.691 1.090 1.00 2.21 C ATOM 500 C ASN A 44 22.879 -13.057 -0.351 1.00 42.32 C ATOM 501 O ASN A 44 23.117 -14.184 -0.773 1.00 75.34 O ATOM 502 CB ASN A 44 24.640 -12.736 1.382 1.00 73.32 C ATOM 503 CG ASN A 44 25.000 -12.263 2.775 1.00 2.24 C ATOM 504 OD1 ASN A 44 25.357 -11.010 2.913 1.00 21.54 O flip ATOM 505 ND2 ASN A 44 24.990 -13.035 3.713 1.00 3.31 N flip ATOM 0 H ASN A 44 22.974 -14.056 2.658 1.00 51.32 H new ATOM 0 HA ASN A 44 22.775 -11.674 1.251 1.00 2.21 H new ATOM 0 HB2 ASN A 44 24.997 -13.757 1.250 1.00 73.32 H new ATOM 0 HB3 ASN A 44 25.162 -12.119 0.651 1.00 73.32 H new ATOM 0 HD21 ASN A 44 24.707 -14.005 3.572 1.00 3.31 H new ATOM 0 HD22 ASN A 44 25.265 -12.713 4.641 1.00 3.31 H new ATOM 512 N LEU A 45 22.419 -12.076 -1.101 1.00 0.12 N ATOM 513 CA LEU A 45 22.121 -12.211 -2.528 1.00 33.44 C ATOM 514 C LEU A 45 23.366 -12.610 -3.326 1.00 72.14 C ATOM 515 O LEU A 45 23.267 -13.202 -4.383 1.00 65.44 O ATOM 516 CB LEU A 45 21.605 -10.887 -3.085 1.00 5.51 C ATOM 517 CG LEU A 45 20.407 -10.254 -2.387 1.00 30.31 C ATOM 518 CD1 LEU A 45 20.083 -8.923 -3.029 1.00 13.32 C ATOM 519 CD2 LEU A 45 19.198 -11.170 -2.422 1.00 25.14 C ATOM 0 H LEU A 45 22.235 -11.141 -0.736 1.00 0.12 H new ATOM 0 HA LEU A 45 21.365 -12.990 -2.627 1.00 33.44 H new ATOM 0 HB2 LEU A 45 22.425 -10.170 -3.064 1.00 5.51 H new ATOM 0 HB3 LEU A 45 21.343 -11.041 -4.132 1.00 5.51 H new ATOM 0 HG LEU A 45 20.667 -10.093 -1.341 1.00 30.31 H new ATOM 0 HD11 LEU A 45 19.226 -8.475 -2.526 1.00 13.32 H new ATOM 0 HD12 LEU A 45 20.943 -8.258 -2.942 1.00 13.32 H new ATOM 0 HD13 LEU A 45 19.847 -9.075 -4.082 1.00 13.32 H new ATOM 0 HD21 LEU A 45 18.362 -10.688 -1.916 1.00 25.14 H new ATOM 0 HD22 LEU A 45 18.926 -11.374 -3.458 1.00 25.14 H new ATOM 0 HD23 LEU A 45 19.436 -12.107 -1.918 1.00 25.14 H new ATOM 531 N ILE A 46 24.531 -12.300 -2.774 1.00 41.23 N ATOM 532 CA ILE A 46 25.815 -12.558 -3.430 1.00 44.32 C ATOM 533 C ILE A 46 26.115 -14.083 -3.427 1.00 71.41 C ATOM 534 O ILE A 46 26.996 -14.556 -4.129 1.00 74.13 O ATOM 535 CB ILE A 46 26.976 -11.771 -2.716 1.00 13.52 C ATOM 536 CG1 ILE A 46 26.597 -10.288 -2.489 1.00 41.15 C ATOM 537 CG2 ILE A 46 28.273 -11.837 -3.528 1.00 5.51 C ATOM 538 CD1 ILE A 46 26.391 -9.474 -3.758 1.00 34.24 C ATOM 0 H ILE A 46 24.617 -11.862 -1.857 1.00 41.23 H new ATOM 0 HA ILE A 46 25.753 -12.210 -4.461 1.00 44.32 H new ATOM 0 HB ILE A 46 27.133 -12.250 -1.750 1.00 13.52 H new ATOM 0 HG12 ILE A 46 25.682 -10.249 -1.898 1.00 41.15 H new ATOM 0 HG13 ILE A 46 27.380 -9.816 -1.896 1.00 41.15 H new ATOM 0 HG21 ILE A 46 29.056 -11.284 -3.009 1.00 5.51 H new ATOM 0 HG22 ILE A 46 28.578 -12.877 -3.642 1.00 5.51 H new ATOM 0 HG23 ILE A 46 28.109 -11.397 -4.512 1.00 5.51 H new ATOM 0 HD11 ILE A 46 26.129 -8.449 -3.494 1.00 34.24 H new ATOM 0 HD12 ILE A 46 27.310 -9.474 -4.344 1.00 34.24 H new ATOM 0 HD13 ILE A 46 25.586 -9.915 -4.346 1.00 34.24 H new ATOM 550 N GLN A 47 25.339 -14.840 -2.641 1.00 61.10 N ATOM 551 CA GLN A 47 25.498 -16.291 -2.577 1.00 53.43 C ATOM 552 C GLN A 47 24.704 -16.943 -3.707 1.00 5.24 C ATOM 553 O GLN A 47 24.776 -18.149 -3.933 1.00 15.34 O ATOM 554 CB GLN A 47 25.007 -16.838 -1.239 1.00 51.45 C ATOM 555 CG GLN A 47 25.680 -16.238 -0.011 1.00 73.30 C ATOM 556 CD GLN A 47 27.184 -16.410 -0.001 1.00 63.23 C ATOM 557 OE1 GLN A 47 27.917 -15.565 -0.483 1.00 1.15 O ATOM 558 NE2 GLN A 47 27.649 -17.502 0.551 1.00 73.14 N ATOM 0 H GLN A 47 24.599 -14.470 -2.044 1.00 61.10 H new ATOM 0 HA GLN A 47 26.558 -16.523 -2.680 1.00 53.43 H new ATOM 0 HB2 GLN A 47 23.933 -16.667 -1.166 1.00 51.45 H new ATOM 0 HB3 GLN A 47 25.159 -17.917 -1.227 1.00 51.45 H new ATOM 0 HG2 GLN A 47 25.444 -15.175 0.040 1.00 73.30 H new ATOM 0 HG3 GLN A 47 25.264 -16.700 0.884 1.00 73.30 H new ATOM 0 HE21 GLN A 47 27.005 -18.188 0.945 1.00 73.14 H new ATOM 0 HE22 GLN A 47 28.655 -17.667 0.587 1.00 73.14 H new ATOM 567 N ALA A 48 23.935 -16.129 -4.382 1.00 73.51 N ATOM 568 CA ALA A 48 23.124 -16.544 -5.485 1.00 2.11 C ATOM 569 C ALA A 48 23.730 -15.976 -6.752 1.00 21.44 C ATOM 570 O ALA A 48 24.788 -15.343 -6.699 1.00 50.12 O ATOM 571 CB ALA A 48 21.688 -16.056 -5.302 1.00 25.32 C ATOM 0 H ALA A 48 23.857 -15.134 -4.170 1.00 73.51 H new ATOM 0 HA ALA A 48 23.094 -17.632 -5.545 1.00 2.11 H new ATOM 0 HB1 ALA A 48 21.083 -16.379 -6.149 1.00 25.32 H new ATOM 0 HB2 ALA A 48 21.277 -16.472 -4.382 1.00 25.32 H new ATOM 0 HB3 ALA A 48 21.678 -14.968 -5.244 1.00 25.32 H new ATOM 577 N GLY A 49 23.099 -16.218 -7.884 1.00 42.14 N ATOM 578 CA GLY A 49 23.611 -15.689 -9.126 1.00 34.31 C ATOM 579 C GLY A 49 23.422 -14.188 -9.213 1.00 22.31 C ATOM 580 O GLY A 49 22.405 -13.700 -9.678 1.00 33.23 O ATOM 0 H GLY A 49 22.245 -16.769 -7.967 1.00 42.14 H new ATOM 0 HA2 GLY A 49 24.671 -15.929 -9.215 1.00 34.31 H new ATOM 0 HA3 GLY A 49 23.104 -16.169 -9.963 1.00 34.31 H new ATOM 584 N LEU A 50 24.379 -13.476 -8.734 1.00 63.25 N ATOM 585 CA LEU A 50 24.375 -12.070 -8.774 1.00 4.25 C ATOM 586 C LEU A 50 25.797 -11.589 -8.859 1.00 52.21 C ATOM 587 O LEU A 50 26.561 -11.673 -7.893 1.00 24.41 O ATOM 588 CB LEU A 50 23.652 -11.505 -7.547 1.00 33.32 C ATOM 589 CG LEU A 50 23.789 -9.990 -7.340 1.00 13.44 C ATOM 590 CD1 LEU A 50 23.101 -9.202 -8.437 1.00 43.34 C ATOM 591 CD2 LEU A 50 23.291 -9.566 -5.980 1.00 2.14 C ATOM 0 H LEU A 50 25.208 -13.874 -8.292 1.00 63.25 H new ATOM 0 HA LEU A 50 23.834 -11.717 -9.652 1.00 4.25 H new ATOM 0 HB2 LEU A 50 22.593 -11.749 -7.627 1.00 33.32 H new ATOM 0 HB3 LEU A 50 24.030 -12.011 -6.659 1.00 33.32 H new ATOM 0 HG LEU A 50 24.854 -9.763 -7.392 1.00 13.44 H new ATOM 0 HD11 LEU A 50 23.223 -8.135 -8.250 1.00 43.34 H new ATOM 0 HD12 LEU A 50 23.545 -9.455 -9.400 1.00 43.34 H new ATOM 0 HD13 LEU A 50 22.039 -9.448 -8.451 1.00 43.34 H new ATOM 0 HD21 LEU A 50 23.404 -8.487 -5.871 1.00 2.14 H new ATOM 0 HD22 LEU A 50 22.239 -9.832 -5.878 1.00 2.14 H new ATOM 0 HD23 LEU A 50 23.870 -10.072 -5.207 1.00 2.14 H new ATOM 603 N ASP A 51 26.150 -11.178 -10.034 1.00 42.35 N ATOM 604 CA ASP A 51 27.454 -10.652 -10.341 1.00 14.10 C ATOM 605 C ASP A 51 27.416 -9.132 -10.242 1.00 40.41 C ATOM 606 O ASP A 51 26.466 -8.559 -9.678 1.00 14.13 O ATOM 607 CB ASP A 51 27.896 -11.099 -11.753 1.00 72.23 C ATOM 608 CG ASP A 51 26.856 -10.803 -12.833 1.00 74.14 C ATOM 609 OD1 ASP A 51 26.448 -9.649 -12.992 1.00 70.51 O ATOM 610 OD2 ASP A 51 26.383 -11.751 -13.495 1.00 54.42 O ATOM 0 H ASP A 51 25.522 -11.197 -10.838 1.00 42.35 H new ATOM 0 HA ASP A 51 28.180 -11.038 -9.626 1.00 14.10 H new ATOM 0 HB2 ASP A 51 28.829 -10.598 -12.010 1.00 72.23 H new ATOM 0 HB3 ASP A 51 28.102 -12.169 -11.740 1.00 72.23 H new HETATM 615 N 4HJ A 52 28.377 -8.472 -10.821 1.00 53.22 N HETATM 616 CA 4HJ A 52 28.477 -7.041 -10.658 1.00 52.05 C HETATM 617 CAA 4HJ A 52 28.879 -9.142 -7.129 1.00 45.42 C HETATM 618 C 4HJ A 52 27.784 -6.341 -11.803 1.00 70.24 C HETATM 619 O 4HJ A 52 27.510 -5.142 -11.736 1.00 15.24 O HETATM 620 CB 4HJ A 52 29.922 -6.644 -10.549 1.00 64.15 C HETATM 621 OG 4HJ A 52 30.661 -7.208 -11.644 1.00 73.44 O HETATM 622 CZ1 4HJ A 52 29.183 -10.441 -6.740 1.00 23.05 C HETATM 623 CZ2 4HJ A 52 29.886 -8.194 -7.267 1.00 3.42 C HETATM 624 OZ 4HJ A 52 30.784 -12.081 -6.075 1.00 65.43 O HETATM 625 CJ 4HJ A 52 32.016 -4.034 -11.567 1.00 21.20 C HETATM 626 CK 4HJ A 52 32.927 -3.607 -10.392 1.00 20.25 C HETATM 627 CL1 4HJ A 52 32.820 -4.764 -9.406 1.00 70.33 C HETATM 628 CL2 4HJ A 52 32.335 -2.332 -9.786 1.00 71.42 C HETATM 629 CM 4HJ A 52 35.633 -3.318 -10.022 1.00 12.31 C HETATM 630 OM 4HJ A 52 34.397 -2.132 -11.636 1.00 64.24 O HETATM 631 NN 4HJ A 52 35.623 -3.863 -8.799 1.00 44.41 N HETATM 632 ON 4HJ A 52 36.642 -2.780 -10.456 1.00 41.34 O HETATM 633 P 4HJ A 52 31.427 -6.229 -12.658 1.00 53.22 P HETATM 634 O1P 4HJ A 52 30.430 -5.408 -13.369 1.00 43.13 O HETATM 635 O2P 4HJ A 52 32.173 -7.076 -13.613 1.00 62.21 O HETATM 636 O3P 4HJ A 52 32.363 -5.410 -11.875 1.00 11.11 O HETATM 637 CX 4HJ A 52 31.556 -9.845 -6.615 1.00 50.03 C HETATM 638 CL3 4HJ A 52 34.385 -3.376 -10.981 1.00 53.41 C HETATM 639 CO 4HJ A 52 35.263 -3.174 -7.523 1.00 52.30 C HETATM 640 CP 4HJ A 52 35.143 -4.179 -6.355 1.00 4.44 C HETATM 641 CQ 4HJ A 52 33.732 -4.705 -6.183 1.00 33.24 C HETATM 642 CS 4HJ A 52 33.515 -6.511 -4.516 1.00 1.42 C HETATM 643 CT 4HJ A 52 32.992 -7.936 -4.574 1.00 53.21 C HETATM 644 CV 4HJ A 52 33.029 -10.223 -6.355 1.00 14.01 C HETATM 645 CY1 4HJ A 52 30.509 -10.805 -6.473 1.00 41.31 C HETATM 646 CY2 4HJ A 52 31.212 -8.537 -7.021 1.00 62.22 C HETATM 647 NR 4HJ A 52 33.609 -5.975 -5.864 1.00 31.55 N HETATM 648 OR 4HJ A 52 32.771 -3.988 -6.372 1.00 61.11 O HETATM 649 OW 4HJ A 52 33.495 -11.310 -6.688 1.00 30.51 O HETATM 650 SU 4HJ A 52 34.104 -9.016 -5.543 1.00 74.24 S ATOM 680 N ILE A 53 27.563 -7.048 -12.867 1.00 45.11 N ATOM 681 CA ILE A 53 26.960 -6.451 -13.976 1.00 53.43 C ATOM 682 C ILE A 53 25.475 -6.375 -13.702 1.00 44.10 C ATOM 683 O ILE A 53 24.826 -5.369 -14.000 1.00 22.23 O ATOM 684 CB ILE A 53 27.330 -7.175 -15.313 1.00 51.15 C ATOM 685 CG1 ILE A 53 27.570 -6.158 -16.414 1.00 74.51 C ATOM 686 CG2 ILE A 53 26.302 -8.223 -15.769 1.00 4.41 C ATOM 687 CD1 ILE A 53 26.403 -5.231 -16.686 1.00 34.25 C ATOM 0 H ILE A 53 27.797 -8.035 -12.974 1.00 45.11 H new ATOM 0 HA ILE A 53 27.338 -5.439 -14.122 1.00 53.43 H new ATOM 0 HB ILE A 53 28.246 -7.728 -15.107 1.00 51.15 H new ATOM 0 HG12 ILE A 53 28.440 -5.557 -16.151 1.00 74.51 H new ATOM 0 HG13 ILE A 53 27.816 -6.689 -17.333 1.00 74.51 H new ATOM 0 HG21 ILE A 53 26.635 -8.677 -16.703 1.00 4.41 H new ATOM 0 HG22 ILE A 53 26.205 -8.994 -15.005 1.00 4.41 H new ATOM 0 HG23 ILE A 53 25.336 -7.742 -15.923 1.00 4.41 H new ATOM 0 HD11 ILE A 53 26.666 -4.540 -17.487 1.00 34.25 H new ATOM 0 HD12 ILE A 53 25.534 -5.818 -16.984 1.00 34.25 H new ATOM 0 HD13 ILE A 53 26.168 -4.667 -15.783 1.00 34.25 H new ATOM 699 N ARG A 54 24.948 -7.417 -13.067 1.00 74.44 N ATOM 700 CA ARG A 54 23.585 -7.403 -12.607 1.00 10.24 C ATOM 701 C ARG A 54 23.428 -6.280 -11.645 1.00 70.53 C ATOM 702 O ARG A 54 22.551 -5.440 -11.813 1.00 30.12 O ATOM 703 CB ARG A 54 23.179 -8.720 -11.929 1.00 61.22 C ATOM 704 CG ARG A 54 22.593 -9.758 -12.858 1.00 12.21 C ATOM 705 CD ARG A 54 23.561 -10.187 -13.918 1.00 12.50 C ATOM 706 NE ARG A 54 22.909 -11.004 -14.926 1.00 20.44 N ATOM 707 CZ ARG A 54 23.533 -11.807 -15.774 1.00 15.24 C ATOM 708 NH1 ARG A 54 24.814 -12.145 -15.573 1.00 33.13 N ATOM 709 NH2 ARG A 54 22.851 -12.316 -16.799 1.00 11.44 N ATOM 0 H ARG A 54 25.455 -8.279 -12.864 1.00 74.44 H new ATOM 0 HA ARG A 54 22.935 -7.277 -13.473 1.00 10.24 H new ATOM 0 HB2 ARG A 54 24.055 -9.145 -11.439 1.00 61.22 H new ATOM 0 HB3 ARG A 54 22.452 -8.501 -11.147 1.00 61.22 H new ATOM 0 HG2 ARG A 54 22.284 -10.628 -12.278 1.00 12.21 H new ATOM 0 HG3 ARG A 54 21.697 -9.355 -13.330 1.00 12.21 H new ATOM 0 HD2 ARG A 54 24.002 -9.308 -14.388 1.00 12.50 H new ATOM 0 HD3 ARG A 54 24.377 -10.749 -13.463 1.00 12.50 H new ATOM 0 HE ARG A 54 21.892 -10.956 -14.985 1.00 20.44 H new ATOM 0 HH11 ARG A 54 25.316 -11.783 -14.762 1.00 33.13 H new ATOM 0 HH12 ARG A 54 25.287 -12.764 -16.231 1.00 33.13 H new ATOM 0 HH21 ARG A 54 21.865 -12.085 -16.920 1.00 11.44 H new ATOM 0 HH22 ARG A 54 23.315 -12.936 -17.462 1.00 11.44 H new ATOM 723 N LEU A 55 24.342 -6.227 -10.701 1.00 25.21 N ATOM 724 CA LEU A 55 24.341 -5.244 -9.654 1.00 5.23 C ATOM 725 C LEU A 55 24.419 -3.819 -10.230 1.00 70.04 C ATOM 726 O LEU A 55 23.603 -2.972 -9.879 1.00 32.41 O ATOM 727 CB LEU A 55 25.508 -5.509 -8.712 1.00 41.22 C ATOM 728 CG LEU A 55 25.561 -4.690 -7.433 1.00 75.41 C ATOM 729 CD1 LEU A 55 24.456 -5.082 -6.487 1.00 61.44 C ATOM 730 CD2 LEU A 55 26.879 -4.874 -6.769 1.00 63.24 C ATOM 0 H LEU A 55 25.121 -6.883 -10.644 1.00 25.21 H new ATOM 0 HA LEU A 55 23.406 -5.321 -9.099 1.00 5.23 H new ATOM 0 HB2 LEU A 55 25.490 -6.564 -8.438 1.00 41.22 H new ATOM 0 HB3 LEU A 55 26.433 -5.338 -9.262 1.00 41.22 H new ATOM 0 HG LEU A 55 25.427 -3.641 -7.698 1.00 75.41 H new ATOM 0 HD11 LEU A 55 24.521 -4.478 -5.582 1.00 61.44 H new ATOM 0 HD12 LEU A 55 23.491 -4.915 -6.966 1.00 61.44 H new ATOM 0 HD13 LEU A 55 24.555 -6.136 -6.228 1.00 61.44 H new ATOM 0 HD21 LEU A 55 26.910 -4.284 -5.853 1.00 63.24 H new ATOM 0 HD22 LEU A 55 27.021 -5.927 -6.527 1.00 63.24 H new ATOM 0 HD23 LEU A 55 27.673 -4.545 -7.439 1.00 63.24 H new ATOM 742 N MET A 56 25.372 -3.567 -11.136 1.00 3.43 N ATOM 743 CA MET A 56 25.521 -2.234 -11.737 1.00 35.01 C ATOM 744 C MET A 56 24.283 -1.805 -12.533 1.00 44.41 C ATOM 745 O MET A 56 23.952 -0.610 -12.566 1.00 62.24 O ATOM 746 CB MET A 56 26.803 -2.098 -12.577 1.00 54.13 C ATOM 747 CG MET A 56 28.024 -1.440 -11.877 1.00 15.53 C ATOM 748 SD MET A 56 28.818 -2.363 -10.510 1.00 44.02 S ATOM 749 CE MET A 56 27.596 -2.350 -9.211 1.00 42.24 C ATOM 0 H MET A 56 26.045 -4.259 -11.467 1.00 3.43 H new ATOM 0 HA MET A 56 25.618 -1.545 -10.898 1.00 35.01 H new ATOM 0 HB2 MET A 56 27.097 -3.092 -12.913 1.00 54.13 H new ATOM 0 HB3 MET A 56 26.567 -1.517 -13.468 1.00 54.13 H new ATOM 0 HG2 MET A 56 28.782 -1.246 -12.636 1.00 15.53 H new ATOM 0 HG3 MET A 56 27.707 -0.472 -11.489 1.00 15.53 H new ATOM 0 HE1 MET A 56 28.095 -2.355 -8.242 1.00 42.24 H new ATOM 0 HE2 MET A 56 26.982 -1.454 -9.298 1.00 42.24 H new ATOM 0 HE3 MET A 56 26.963 -3.233 -9.298 1.00 42.24 H new ATOM 759 N ARG A 57 23.591 -2.779 -13.170 1.00 65.11 N ATOM 760 CA ARG A 57 22.317 -2.501 -13.837 1.00 20.11 C ATOM 761 C ARG A 57 21.347 -1.943 -12.847 1.00 22.13 C ATOM 762 O ARG A 57 20.770 -0.883 -13.051 1.00 31.12 O ATOM 763 CB ARG A 57 21.691 -3.750 -14.360 1.00 21.51 C ATOM 764 CG ARG A 57 22.431 -4.411 -15.466 1.00 52.14 C ATOM 765 CD ARG A 57 21.521 -5.382 -16.109 1.00 21.12 C ATOM 766 NE ARG A 57 20.936 -6.321 -15.130 1.00 72.02 N ATOM 767 CZ ARG A 57 20.658 -7.622 -15.329 1.00 41.54 C ATOM 768 NH1 ARG A 57 20.993 -8.245 -16.467 1.00 10.13 N ATOM 769 NH2 ARG A 57 20.054 -8.299 -14.374 1.00 3.14 N ATOM 0 H ARG A 57 23.897 -3.750 -13.231 1.00 65.11 H new ATOM 0 HA ARG A 57 22.528 -1.808 -14.651 1.00 20.11 H new ATOM 0 HB2 ARG A 57 21.589 -4.458 -13.538 1.00 21.51 H new ATOM 0 HB3 ARG A 57 20.684 -3.516 -14.706 1.00 21.51 H new ATOM 0 HG2 ARG A 57 22.773 -3.672 -16.191 1.00 52.14 H new ATOM 0 HG3 ARG A 57 23.318 -4.916 -15.083 1.00 52.14 H new ATOM 0 HD2 ARG A 57 20.721 -4.846 -16.621 1.00 21.12 H new ATOM 0 HD3 ARG A 57 22.066 -5.942 -16.869 1.00 21.12 H new ATOM 0 HE ARG A 57 20.720 -5.944 -14.207 1.00 72.02 H new ATOM 0 HH11 ARG A 57 21.471 -7.732 -17.208 1.00 10.13 H new ATOM 0 HH12 ARG A 57 20.770 -9.233 -16.592 1.00 10.13 H new ATOM 0 HH21 ARG A 57 19.804 -7.836 -13.500 1.00 3.14 H new ATOM 0 HH22 ARG A 57 19.836 -9.286 -14.508 1.00 3.14 H new ATOM 783 N TRP A 58 21.214 -2.680 -11.745 1.00 3.42 N ATOM 784 CA TRP A 58 20.313 -2.348 -10.651 1.00 32.43 C ATOM 785 C TRP A 58 20.584 -0.991 -10.116 1.00 33.22 C ATOM 786 O TRP A 58 19.664 -0.186 -10.007 1.00 21.23 O ATOM 787 CB TRP A 58 20.358 -3.430 -9.573 1.00 73.41 C ATOM 788 CG TRP A 58 19.960 -4.784 -10.097 1.00 12.24 C ATOM 789 CD1 TRP A 58 20.531 -5.973 -9.778 1.00 53.23 C ATOM 790 CD2 TRP A 58 18.907 -5.087 -11.056 1.00 73.12 C ATOM 791 NE1 TRP A 58 19.933 -6.994 -10.484 1.00 61.34 N ATOM 792 CE2 TRP A 58 18.927 -6.472 -11.263 1.00 34.43 C ATOM 793 CE3 TRP A 58 17.948 -4.317 -11.756 1.00 2.22 C ATOM 794 CZ2 TRP A 58 18.042 -7.104 -12.134 1.00 4.33 C ATOM 795 CZ3 TRP A 58 17.074 -4.953 -12.604 1.00 71.23 C ATOM 796 CH2 TRP A 58 17.127 -6.329 -12.789 1.00 24.23 C ATOM 0 H TRP A 58 21.741 -3.539 -11.588 1.00 3.42 H new ATOM 0 HA TRP A 58 19.294 -2.322 -11.037 1.00 32.43 H new ATOM 0 HB2 TRP A 58 21.365 -3.486 -9.161 1.00 73.41 H new ATOM 0 HB3 TRP A 58 19.694 -3.151 -8.755 1.00 73.41 H new ATOM 0 HD1 TRP A 58 21.338 -6.101 -9.072 1.00 53.23 H new ATOM 0 HE1 TRP A 58 20.194 -7.979 -10.437 1.00 61.34 H new ATOM 0 HE3 TRP A 58 17.904 -3.246 -11.626 1.00 2.22 H new ATOM 0 HZ2 TRP A 58 18.078 -8.173 -12.287 1.00 4.33 H new ATOM 0 HZ3 TRP A 58 16.334 -4.374 -13.136 1.00 71.23 H new ATOM 0 HH2 TRP A 58 16.428 -6.797 -13.467 1.00 24.23 H new ATOM 807 N LEU A 59 21.842 -0.712 -9.859 1.00 43.01 N ATOM 808 CA LEU A 59 22.282 0.583 -9.357 1.00 24.11 C ATOM 809 C LEU A 59 21.711 1.718 -10.135 1.00 23.35 C ATOM 810 O LEU A 59 20.950 2.515 -9.609 1.00 40.11 O ATOM 811 CB LEU A 59 23.792 0.680 -9.419 1.00 74.42 C ATOM 812 CG LEU A 59 24.532 0.412 -8.145 1.00 23.33 C ATOM 813 CD1 LEU A 59 24.243 1.524 -7.142 1.00 61.42 C ATOM 814 CD2 LEU A 59 24.152 -0.938 -7.587 1.00 45.25 C ATOM 0 H LEU A 59 22.601 -1.380 -9.992 1.00 43.01 H new ATOM 0 HA LEU A 59 21.929 0.654 -8.328 1.00 24.11 H new ATOM 0 HB2 LEU A 59 24.148 -0.021 -10.174 1.00 74.42 H new ATOM 0 HB3 LEU A 59 24.056 1.680 -9.763 1.00 74.42 H new ATOM 0 HG LEU A 59 25.603 0.396 -8.347 1.00 23.33 H new ATOM 0 HD11 LEU A 59 24.782 1.327 -6.215 1.00 61.42 H new ATOM 0 HD12 LEU A 59 24.567 2.479 -7.555 1.00 61.42 H new ATOM 0 HD13 LEU A 59 23.173 1.561 -6.938 1.00 61.42 H new ATOM 0 HD21 LEU A 59 24.699 -1.116 -6.661 1.00 45.25 H new ATOM 0 HD22 LEU A 59 23.081 -0.960 -7.385 1.00 45.25 H new ATOM 0 HD23 LEU A 59 24.401 -1.714 -8.311 1.00 45.25 H new ATOM 826 N HIS A 60 22.026 1.742 -11.392 1.00 11.43 N ATOM 827 CA HIS A 60 21.628 2.809 -12.261 1.00 33.44 C ATOM 828 C HIS A 60 20.107 2.840 -12.422 1.00 44.15 C ATOM 829 O HIS A 60 19.501 3.918 -12.440 1.00 11.41 O ATOM 830 CB HIS A 60 22.356 2.643 -13.590 1.00 33.21 C ATOM 831 CG HIS A 60 22.063 3.705 -14.629 1.00 44.31 C ATOM 832 ND1 HIS A 60 22.850 4.819 -14.843 1.00 63.33 N ATOM 833 CD2 HIS A 60 21.047 3.795 -15.527 1.00 14.21 C ATOM 834 CE1 HIS A 60 22.299 5.530 -15.834 1.00 13.31 C ATOM 835 NE2 HIS A 60 21.206 4.952 -16.283 1.00 11.33 N ATOM 0 H HIS A 60 22.573 1.014 -11.851 1.00 11.43 H new ATOM 0 HA HIS A 60 21.904 3.773 -11.833 1.00 33.44 H new ATOM 0 HB2 HIS A 60 23.429 2.633 -13.398 1.00 33.21 H new ATOM 0 HB3 HIS A 60 22.098 1.670 -14.007 1.00 33.21 H new ATOM 0 HD2 HIS A 60 20.244 3.082 -15.636 1.00 14.21 H new ATOM 0 HE1 HIS A 60 22.700 6.458 -16.215 1.00 13.31 H new ATOM 0 HE2 HIS A 60 20.599 5.284 -17.032 1.00 11.33 H new ATOM 843 N TRP A 61 19.516 1.659 -12.459 1.00 73.42 N ATOM 844 CA TRP A 61 18.090 1.471 -12.622 1.00 33.32 C ATOM 845 C TRP A 61 17.303 2.231 -11.538 1.00 11.44 C ATOM 846 O TRP A 61 16.425 3.027 -11.849 1.00 0.13 O ATOM 847 CB TRP A 61 17.779 -0.025 -12.592 1.00 23.34 C ATOM 848 CG TRP A 61 16.372 -0.379 -12.946 1.00 1.05 C ATOM 849 CD1 TRP A 61 15.778 -0.247 -14.165 1.00 41.01 C ATOM 850 CD2 TRP A 61 15.398 -0.958 -12.084 1.00 52.45 C ATOM 851 NE1 TRP A 61 14.483 -0.690 -14.105 1.00 52.35 N ATOM 852 CE2 TRP A 61 14.225 -1.136 -12.837 1.00 42.22 C ATOM 853 CE3 TRP A 61 15.403 -1.336 -10.750 1.00 72.13 C ATOM 854 CZ2 TRP A 61 13.068 -1.680 -12.293 1.00 32.25 C ATOM 855 CZ3 TRP A 61 14.260 -1.874 -10.211 1.00 15.12 C ATOM 856 CH2 TRP A 61 13.109 -2.042 -10.983 1.00 35.44 C ATOM 0 H TRP A 61 20.031 0.782 -12.374 1.00 73.42 H new ATOM 0 HA TRP A 61 17.779 1.880 -13.583 1.00 33.32 H new ATOM 0 HB2 TRP A 61 18.452 -0.536 -13.281 1.00 23.34 H new ATOM 0 HB3 TRP A 61 17.995 -0.407 -11.594 1.00 23.34 H new ATOM 0 HD1 TRP A 61 16.257 0.149 -15.048 1.00 41.01 H new ATOM 0 HE1 TRP A 61 13.819 -0.688 -14.879 1.00 52.35 H new ATOM 0 HE3 TRP A 61 16.289 -1.210 -10.146 1.00 72.13 H new ATOM 0 HZ2 TRP A 61 12.174 -1.810 -12.885 1.00 32.25 H new ATOM 0 HZ3 TRP A 61 14.251 -2.172 -9.173 1.00 15.12 H new ATOM 0 HH2 TRP A 61 12.228 -2.471 -10.528 1.00 35.44 H new ATOM 867 N PHE A 62 17.628 2.011 -10.281 1.00 42.54 N ATOM 868 CA PHE A 62 16.970 2.764 -9.224 1.00 50.32 C ATOM 869 C PHE A 62 17.573 4.143 -8.978 1.00 33.14 C ATOM 870 O PHE A 62 16.885 5.038 -8.482 1.00 71.31 O ATOM 871 CB PHE A 62 16.657 1.973 -7.930 1.00 13.41 C ATOM 872 CG PHE A 62 17.543 0.835 -7.645 1.00 43.01 C ATOM 873 CD1 PHE A 62 18.811 1.020 -7.152 1.00 75.13 C ATOM 874 CD2 PHE A 62 17.093 -0.440 -7.898 1.00 55.13 C ATOM 875 CE1 PHE A 62 19.632 -0.072 -6.932 1.00 33.40 C ATOM 876 CE2 PHE A 62 17.883 -1.521 -7.676 1.00 14.34 C ATOM 877 CZ PHE A 62 19.152 -1.348 -7.201 1.00 15.22 C ATOM 0 H PHE A 62 18.325 1.336 -9.967 1.00 42.54 H new ATOM 0 HA PHE A 62 15.980 2.954 -9.639 1.00 50.32 H new ATOM 0 HB2 PHE A 62 16.699 2.662 -7.086 1.00 13.41 H new ATOM 0 HB3 PHE A 62 15.633 1.605 -7.990 1.00 13.41 H new ATOM 0 HD1 PHE A 62 19.167 2.016 -6.936 1.00 75.13 H new ATOM 0 HD2 PHE A 62 16.093 -0.583 -8.280 1.00 55.13 H new ATOM 0 HE1 PHE A 62 20.635 0.066 -6.555 1.00 33.40 H new ATOM 0 HE2 PHE A 62 17.510 -2.515 -7.874 1.00 14.34 H new ATOM 0 HZ PHE A 62 19.785 -2.207 -7.034 1.00 15.22 H new ATOM 887 N ARG A 63 18.850 4.338 -9.323 1.00 5.53 N ATOM 888 CA ARG A 63 19.460 5.675 -9.211 1.00 31.52 C ATOM 889 C ARG A 63 18.706 6.690 -10.052 1.00 45.02 C ATOM 890 O ARG A 63 18.472 7.802 -9.602 1.00 23.41 O ATOM 891 CB ARG A 63 20.954 5.716 -9.583 1.00 52.05 C ATOM 892 CG ARG A 63 21.918 5.131 -8.552 1.00 2.33 C ATOM 893 CD ARG A 63 21.862 5.867 -7.218 1.00 71.21 C ATOM 894 NE ARG A 63 22.075 7.327 -7.367 1.00 72.14 N ATOM 895 CZ ARG A 63 22.963 8.072 -6.673 1.00 52.14 C ATOM 896 NH1 ARG A 63 23.826 7.498 -5.827 1.00 53.52 N ATOM 897 NH2 ARG A 63 22.995 9.399 -6.849 1.00 60.11 N ATOM 0 H ARG A 63 19.472 3.610 -9.674 1.00 5.53 H new ATOM 0 HA ARG A 63 19.388 5.932 -8.154 1.00 31.52 H new ATOM 0 HB2 ARG A 63 21.089 5.180 -10.522 1.00 52.05 H new ATOM 0 HB3 ARG A 63 21.234 6.753 -9.765 1.00 52.05 H new ATOM 0 HG2 ARG A 63 21.681 4.079 -8.393 1.00 2.33 H new ATOM 0 HG3 ARG A 63 22.934 5.173 -8.944 1.00 2.33 H new ATOM 0 HD2 ARG A 63 20.894 5.690 -6.749 1.00 71.21 H new ATOM 0 HD3 ARG A 63 22.620 5.459 -6.549 1.00 71.21 H new ATOM 0 HE ARG A 63 21.499 7.812 -8.055 1.00 72.14 H new ATOM 0 HH11 ARG A 63 23.819 6.486 -5.700 1.00 53.52 H new ATOM 0 HH12 ARG A 63 24.491 8.072 -5.309 1.00 53.52 H new ATOM 0 HH21 ARG A 63 22.351 9.842 -7.504 1.00 60.11 H new ATOM 0 HH22 ARG A 63 23.663 9.967 -6.328 1.00 60.11 H new ATOM 911 N LYS A 64 18.298 6.299 -11.262 1.00 32.44 N ATOM 912 CA LYS A 64 17.531 7.203 -12.104 1.00 32.31 C ATOM 913 C LYS A 64 16.066 7.324 -11.669 1.00 4.02 C ATOM 914 O LYS A 64 15.308 8.114 -12.221 1.00 40.00 O ATOM 915 CB LYS A 64 17.725 6.981 -13.643 1.00 63.44 C ATOM 916 CG LYS A 64 17.441 5.582 -14.182 1.00 43.31 C ATOM 917 CD LYS A 64 16.012 5.154 -13.946 1.00 63.21 C ATOM 918 CE LYS A 64 14.994 5.997 -14.703 1.00 34.23 C ATOM 919 NZ LYS A 64 13.612 5.586 -14.361 1.00 75.42 N ATOM 0 H LYS A 64 18.483 5.382 -11.669 1.00 32.44 H new ATOM 0 HA LYS A 64 17.968 8.187 -11.933 1.00 32.31 H new ATOM 0 HB2 LYS A 64 17.081 7.685 -14.171 1.00 63.44 H new ATOM 0 HB3 LYS A 64 18.753 7.239 -13.896 1.00 63.44 H new ATOM 0 HG2 LYS A 64 17.653 5.557 -15.251 1.00 43.31 H new ATOM 0 HG3 LYS A 64 18.114 4.869 -13.707 1.00 43.31 H new ATOM 0 HD2 LYS A 64 15.900 4.111 -14.241 1.00 63.21 H new ATOM 0 HD3 LYS A 64 15.796 5.208 -12.879 1.00 63.21 H new ATOM 0 HE2 LYS A 64 15.135 7.050 -14.461 1.00 34.23 H new ATOM 0 HE3 LYS A 64 15.154 5.892 -15.776 1.00 34.23 H new ATOM 0 HZ1 LYS A 64 12.944 6.318 -14.677 1.00 75.42 H new ATOM 0 HZ2 LYS A 64 13.390 4.687 -14.834 1.00 75.42 H new ATOM 0 HZ3 LYS A 64 13.531 5.464 -13.331 1.00 75.42 H new ATOM 933 N ASN A 65 15.658 6.481 -10.728 1.00 73.35 N ATOM 934 CA ASN A 65 14.317 6.578 -10.157 1.00 73.31 C ATOM 935 C ASN A 65 14.344 7.563 -9.000 1.00 31.35 C ATOM 936 O ASN A 65 13.313 8.055 -8.563 1.00 65.10 O ATOM 937 CB ASN A 65 13.760 5.219 -9.662 1.00 52.13 C ATOM 938 CG ASN A 65 13.556 4.175 -10.745 1.00 24.43 C ATOM 939 OD1 ASN A 65 13.368 4.509 -11.933 1.00 11.22 O ATOM 940 ND2 ASN A 65 13.519 2.914 -10.354 1.00 75.34 N ATOM 0 H ASN A 65 16.230 5.728 -10.346 1.00 73.35 H new ATOM 0 HA ASN A 65 13.653 6.918 -10.952 1.00 73.31 H new ATOM 0 HB2 ASN A 65 14.442 4.815 -8.913 1.00 52.13 H new ATOM 0 HB3 ASN A 65 12.807 5.394 -9.163 1.00 52.13 H new ATOM 0 HD21 ASN A 65 13.332 2.175 -11.032 1.00 75.34 H new ATOM 0 HD22 ASN A 65 13.678 2.679 -9.374 1.00 75.34 H new ATOM 947 N GLY A 66 15.542 7.852 -8.517 1.00 5.22 N ATOM 948 CA GLY A 66 15.692 8.796 -7.441 1.00 21.25 C ATOM 949 C GLY A 66 16.167 8.160 -6.152 1.00 72.30 C ATOM 950 O GLY A 66 16.231 8.828 -5.115 1.00 2.52 O ATOM 0 H GLY A 66 16.414 7.445 -8.856 1.00 5.22 H new ATOM 0 HA2 GLY A 66 16.400 9.569 -7.740 1.00 21.25 H new ATOM 0 HA3 GLY A 66 14.737 9.291 -7.264 1.00 21.25 H new ATOM 954 N TYR A 67 16.518 6.884 -6.198 1.00 1.21 N ATOM 955 CA TYR A 67 16.970 6.206 -5.010 1.00 13.41 C ATOM 956 C TYR A 67 18.424 6.540 -4.725 1.00 43.43 C ATOM 957 O TYR A 67 19.251 6.640 -5.640 1.00 71.21 O ATOM 958 CB TYR A 67 16.722 4.708 -5.107 1.00 3.20 C ATOM 959 CG TYR A 67 15.243 4.356 -5.206 1.00 41.11 C ATOM 960 CD1 TYR A 67 14.452 4.325 -4.086 1.00 74.13 C ATOM 961 CD2 TYR A 67 14.652 4.062 -6.412 1.00 0.14 C ATOM 962 CE1 TYR A 67 13.115 4.003 -4.151 1.00 14.35 C ATOM 963 CE2 TYR A 67 13.315 3.735 -6.496 1.00 50.32 C ATOM 964 CZ TYR A 67 12.553 3.707 -5.361 1.00 51.22 C ATOM 965 OH TYR A 67 11.228 3.374 -5.432 1.00 55.13 O ATOM 0 H TYR A 67 16.497 6.308 -7.040 1.00 1.21 H new ATOM 0 HA TYR A 67 16.387 6.562 -4.160 1.00 13.41 H new ATOM 0 HB2 TYR A 67 17.243 4.315 -5.980 1.00 3.20 H new ATOM 0 HB3 TYR A 67 17.149 4.217 -4.233 1.00 3.20 H new ATOM 0 HD1 TYR A 67 14.890 4.560 -3.127 1.00 74.13 H new ATOM 0 HD2 TYR A 67 15.247 4.088 -7.313 1.00 0.14 H new ATOM 0 HE1 TYR A 67 12.515 3.984 -3.253 1.00 14.35 H new ATOM 0 HE2 TYR A 67 12.872 3.502 -7.453 1.00 50.32 H new ATOM 0 HH TYR A 67 11.103 2.673 -6.105 1.00 55.13 H new ATOM 975 N ARG A 68 18.728 6.713 -3.467 1.00 71.21 N ATOM 976 CA ARG A 68 20.025 7.201 -3.037 1.00 74.34 C ATOM 977 C ARG A 68 20.931 6.035 -2.643 1.00 72.41 C ATOM 978 O ARG A 68 20.913 5.609 -1.500 1.00 11.44 O ATOM 979 CB ARG A 68 19.820 8.139 -1.832 1.00 62.13 C ATOM 980 CG ARG A 68 18.750 9.212 -2.071 1.00 74.24 C ATOM 981 CD ARG A 68 18.397 9.983 -0.800 1.00 24.52 C ATOM 982 NE ARG A 68 17.263 10.910 -1.029 1.00 71.31 N ATOM 983 CZ ARG A 68 16.392 11.341 -0.080 1.00 13.03 C ATOM 984 NH1 ARG A 68 16.510 10.940 1.183 1.00 35.42 N ATOM 985 NH2 ARG A 68 15.395 12.163 -0.418 1.00 72.22 N ATOM 0 H ARG A 68 18.083 6.520 -2.701 1.00 71.21 H new ATOM 0 HA ARG A 68 20.503 7.741 -3.855 1.00 74.34 H new ATOM 0 HB2 ARG A 68 19.540 7.545 -0.962 1.00 62.13 H new ATOM 0 HB3 ARG A 68 20.766 8.626 -1.595 1.00 62.13 H new ATOM 0 HG2 ARG A 68 19.104 9.911 -2.829 1.00 74.24 H new ATOM 0 HG3 ARG A 68 17.851 8.741 -2.467 1.00 74.24 H new ATOM 0 HD2 ARG A 68 18.141 9.281 -0.006 1.00 24.52 H new ATOM 0 HD3 ARG A 68 19.266 10.546 -0.460 1.00 24.52 H new ATOM 0 HE ARG A 68 17.125 11.253 -1.980 1.00 71.31 H new ATOM 0 HH11 ARG A 68 17.261 10.302 1.448 1.00 35.42 H new ATOM 0 HH12 ARG A 68 15.850 11.271 1.887 1.00 35.42 H new ATOM 0 HH21 ARG A 68 15.289 12.465 -1.386 1.00 72.22 H new ATOM 0 HH22 ARG A 68 14.739 12.488 0.292 1.00 72.22 H new ATOM 999 N LEU A 69 21.673 5.490 -3.606 1.00 32.43 N ATOM 1000 CA LEU A 69 22.554 4.340 -3.336 1.00 73.33 C ATOM 1001 C LEU A 69 23.921 4.491 -3.889 1.00 63.35 C ATOM 1002 O LEU A 69 24.124 4.947 -5.028 1.00 50.44 O ATOM 1003 CB LEU A 69 21.937 3.029 -3.808 1.00 3.14 C ATOM 1004 CG LEU A 69 20.624 2.654 -3.129 1.00 50.54 C ATOM 1005 CD1 LEU A 69 20.049 1.384 -3.706 1.00 34.30 C ATOM 1006 CD2 LEU A 69 20.844 2.495 -1.646 1.00 55.51 C ATOM 0 H LEU A 69 21.687 5.817 -4.572 1.00 32.43 H new ATOM 0 HA LEU A 69 22.655 4.313 -2.251 1.00 73.33 H new ATOM 0 HB2 LEU A 69 21.768 3.090 -4.883 1.00 3.14 H new ATOM 0 HB3 LEU A 69 22.656 2.226 -3.644 1.00 3.14 H new ATOM 0 HG LEU A 69 19.908 3.456 -3.307 1.00 50.54 H new ATOM 0 HD11 LEU A 69 19.114 1.145 -3.200 1.00 34.30 H new ATOM 0 HD12 LEU A 69 19.861 1.521 -4.771 1.00 34.30 H new ATOM 0 HD13 LEU A 69 20.757 0.567 -3.565 1.00 34.30 H new ATOM 0 HD21 LEU A 69 19.903 2.227 -1.165 1.00 55.51 H new ATOM 0 HD22 LEU A 69 21.578 1.709 -1.469 1.00 55.51 H new ATOM 0 HD23 LEU A 69 21.210 3.434 -1.230 1.00 55.51 H new ATOM 1018 N THR A 70 24.841 4.133 -3.068 1.00 40.52 N ATOM 1019 CA THR A 70 26.214 4.078 -3.376 1.00 13.33 C ATOM 1020 C THR A 70 26.573 2.598 -3.443 1.00 3.04 C ATOM 1021 O THR A 70 26.053 1.799 -2.676 1.00 13.05 O ATOM 1022 CB THR A 70 27.021 4.750 -2.260 1.00 5.50 C ATOM 1023 OG1 THR A 70 26.341 5.941 -1.858 1.00 35.12 O ATOM 1024 CG2 THR A 70 28.419 5.118 -2.746 1.00 15.13 C ATOM 0 H THR A 70 24.638 3.855 -2.108 1.00 40.52 H new ATOM 0 HA THR A 70 26.435 4.590 -4.313 1.00 13.33 H new ATOM 0 HB THR A 70 27.115 4.056 -1.425 1.00 5.50 H new ATOM 0 HG1 THR A 70 25.609 5.710 -1.249 1.00 35.12 H new ATOM 0 HG21 THR A 70 28.972 5.593 -1.936 1.00 15.13 H new ATOM 0 HG22 THR A 70 28.943 4.216 -3.063 1.00 15.13 H new ATOM 0 HG23 THR A 70 28.342 5.808 -3.587 1.00 15.13 H new ATOM 1032 N LEU A 71 27.477 2.269 -4.315 1.00 24.41 N ATOM 1033 CA LEU A 71 27.856 0.887 -4.668 1.00 33.03 C ATOM 1034 C LEU A 71 28.158 0.003 -3.445 1.00 51.30 C ATOM 1035 O LEU A 71 27.709 -1.136 -3.354 1.00 71.13 O ATOM 1036 CB LEU A 71 29.079 0.896 -5.605 1.00 21.35 C ATOM 1037 CG LEU A 71 28.934 1.541 -7.023 1.00 13.31 C ATOM 1038 CD1 LEU A 71 27.895 0.815 -7.817 1.00 10.44 C ATOM 1039 CD2 LEU A 71 28.607 3.040 -6.971 1.00 30.12 C ATOM 0 H LEU A 71 28.007 2.968 -4.836 1.00 24.41 H new ATOM 0 HA LEU A 71 26.991 0.453 -5.170 1.00 33.03 H new ATOM 0 HB2 LEU A 71 29.888 1.413 -5.088 1.00 21.35 H new ATOM 0 HB3 LEU A 71 29.397 -0.137 -5.743 1.00 21.35 H new ATOM 0 HG LEU A 71 29.904 1.447 -7.510 1.00 13.31 H new ATOM 0 HD11 LEU A 71 27.803 1.273 -8.802 1.00 10.44 H new ATOM 0 HD12 LEU A 71 28.186 -0.229 -7.929 1.00 10.44 H new ATOM 0 HD13 LEU A 71 26.937 0.871 -7.300 1.00 10.44 H new ATOM 0 HD21 LEU A 71 28.519 3.429 -7.986 1.00 30.12 H new ATOM 0 HD22 LEU A 71 27.665 3.189 -6.443 1.00 30.12 H new ATOM 0 HD23 LEU A 71 29.404 3.568 -6.448 1.00 30.12 H new ATOM 1051 N ARG A 72 28.859 0.566 -2.495 1.00 52.25 N ATOM 1052 CA ARG A 72 29.304 -0.152 -1.308 1.00 74.14 C ATOM 1053 C ARG A 72 28.139 -0.503 -0.369 1.00 42.31 C ATOM 1054 O ARG A 72 28.247 -1.446 0.422 1.00 63.22 O ATOM 1055 CB ARG A 72 30.391 0.676 -0.584 1.00 22.51 C ATOM 1056 CG ARG A 72 30.922 0.069 0.712 1.00 4.12 C ATOM 1057 CD ARG A 72 31.518 -1.317 0.487 1.00 35.01 C ATOM 1058 NE ARG A 72 31.963 -1.954 1.741 1.00 53.42 N ATOM 1059 CZ ARG A 72 31.365 -3.029 2.304 1.00 35.43 C ATOM 1060 NH1 ARG A 72 30.160 -3.412 1.885 1.00 62.13 N ATOM 1061 NH2 ARG A 72 31.942 -3.664 3.333 1.00 3.21 N ATOM 0 H ARG A 72 29.145 1.545 -2.515 1.00 52.25 H new ATOM 0 HA ARG A 72 29.733 -1.103 -1.622 1.00 74.14 H new ATOM 0 HB2 ARG A 72 31.228 0.821 -1.267 1.00 22.51 H new ATOM 0 HB3 ARG A 72 29.985 1.663 -0.363 1.00 22.51 H new ATOM 0 HG2 ARG A 72 31.681 0.726 1.137 1.00 4.12 H new ATOM 0 HG3 ARG A 72 30.114 0.003 1.440 1.00 4.12 H new ATOM 0 HD2 ARG A 72 30.776 -1.953 0.004 1.00 35.01 H new ATOM 0 HD3 ARG A 72 32.364 -1.238 -0.196 1.00 35.01 H new ATOM 0 HE ARG A 72 32.775 -1.558 2.215 1.00 53.42 H new ATOM 0 HH11 ARG A 72 29.691 -2.895 1.141 1.00 62.13 H new ATOM 0 HH12 ARG A 72 29.707 -4.222 2.308 1.00 62.13 H new ATOM 0 HH21 ARG A 72 32.837 -3.338 3.696 1.00 3.21 H new ATOM 0 HH22 ARG A 72 31.486 -4.474 3.753 1.00 3.21 H new ATOM 1075 N GLU A 73 27.028 0.201 -0.500 1.00 14.35 N ATOM 1076 CA GLU A 73 25.888 0.001 0.381 1.00 55.44 C ATOM 1077 C GLU A 73 25.117 -1.251 -0.031 1.00 74.55 C ATOM 1078 O GLU A 73 24.565 -1.958 0.807 1.00 5.31 O ATOM 1079 CB GLU A 73 25.006 1.242 0.369 1.00 44.32 C ATOM 1080 CG GLU A 73 25.789 2.506 0.708 1.00 0.25 C ATOM 1081 CD GLU A 73 24.952 3.750 0.664 1.00 30.25 C ATOM 1082 OE1 GLU A 73 24.492 4.135 -0.435 1.00 21.53 O ATOM 1083 OE2 GLU A 73 24.719 4.350 1.708 1.00 14.31 O ATOM 0 H GLU A 73 26.890 0.919 -1.211 1.00 14.35 H new ATOM 0 HA GLU A 73 26.236 -0.152 1.403 1.00 55.44 H new ATOM 0 HB2 GLU A 73 24.549 1.352 -0.615 1.00 44.32 H new ATOM 0 HB3 GLU A 73 24.194 1.116 1.085 1.00 44.32 H new ATOM 0 HG2 GLU A 73 26.221 2.402 1.703 1.00 0.25 H new ATOM 0 HG3 GLU A 73 26.619 2.610 0.009 1.00 0.25 H new ATOM 1090 N LEU A 74 25.151 -1.555 -1.324 1.00 32.44 N ATOM 1091 CA LEU A 74 24.522 -2.771 -1.860 1.00 43.42 C ATOM 1092 C LEU A 74 25.293 -3.974 -1.365 1.00 51.01 C ATOM 1093 O LEU A 74 24.742 -5.034 -1.098 1.00 32.42 O ATOM 1094 CB LEU A 74 24.518 -2.785 -3.409 1.00 14.10 C ATOM 1095 CG LEU A 74 23.703 -1.709 -4.141 1.00 10.21 C ATOM 1096 CD1 LEU A 74 22.265 -1.677 -3.670 1.00 42.33 C ATOM 1097 CD2 LEU A 74 24.345 -0.345 -4.039 1.00 54.43 C ATOM 0 H LEU A 74 25.608 -0.977 -2.029 1.00 32.44 H new ATOM 0 HA LEU A 74 23.487 -2.796 -1.519 1.00 43.42 H new ATOM 0 HB2 LEU A 74 25.552 -2.706 -3.746 1.00 14.10 H new ATOM 0 HB3 LEU A 74 24.151 -3.759 -3.732 1.00 14.10 H new ATOM 0 HG LEU A 74 23.696 -1.984 -5.196 1.00 10.21 H new ATOM 0 HD11 LEU A 74 21.722 -0.903 -4.212 1.00 42.33 H new ATOM 0 HD12 LEU A 74 21.799 -2.645 -3.856 1.00 42.33 H new ATOM 0 HD13 LEU A 74 22.237 -1.460 -2.602 1.00 42.33 H new ATOM 0 HD21 LEU A 74 23.735 0.385 -4.571 1.00 54.43 H new ATOM 0 HD22 LEU A 74 24.424 -0.057 -2.991 1.00 54.43 H new ATOM 0 HD23 LEU A 74 25.340 -0.377 -4.482 1.00 54.43 H new ATOM 1109 N TYR A 75 26.578 -3.759 -1.219 1.00 71.15 N ATOM 1110 CA TYR A 75 27.509 -4.753 -0.736 1.00 1.34 C ATOM 1111 C TYR A 75 27.526 -4.802 0.773 1.00 63.20 C ATOM 1112 O TYR A 75 28.282 -5.574 1.361 1.00 62.14 O ATOM 1113 CB TYR A 75 28.914 -4.392 -1.179 1.00 1.13 C ATOM 1114 CG TYR A 75 29.206 -4.550 -2.626 1.00 55.25 C ATOM 1115 CD1 TYR A 75 28.856 -5.700 -3.308 1.00 33.43 C ATOM 1116 CD2 TYR A 75 29.899 -3.573 -3.292 1.00 0.32 C ATOM 1117 CE1 TYR A 75 29.198 -5.866 -4.628 1.00 63.55 C ATOM 1118 CE2 TYR A 75 30.234 -3.710 -4.608 1.00 33.33 C ATOM 1119 CZ TYR A 75 29.893 -4.857 -5.277 1.00 22.33 C ATOM 1120 OH TYR A 75 30.250 -4.999 -6.590 1.00 21.53 O ATOM 0 H TYR A 75 27.018 -2.865 -1.438 1.00 71.15 H new ATOM 0 HA TYR A 75 27.193 -5.716 -1.138 1.00 1.34 H new ATOM 0 HB2 TYR A 75 29.105 -3.355 -0.902 1.00 1.13 H new ATOM 0 HB3 TYR A 75 29.618 -5.006 -0.618 1.00 1.13 H new ATOM 0 HD1 TYR A 75 28.307 -6.477 -2.797 1.00 33.43 H new ATOM 0 HD2 TYR A 75 30.186 -2.676 -2.764 1.00 0.32 H new ATOM 0 HE1 TYR A 75 28.929 -6.771 -5.153 1.00 63.55 H new ATOM 0 HE2 TYR A 75 30.764 -2.920 -5.119 1.00 33.33 H new ATOM 0 HH TYR A 75 31.166 -4.675 -6.717 1.00 21.53 H new ATOM 1130 N ALA A 76 26.777 -3.942 1.410 1.00 72.22 N ATOM 1131 CA ALA A 76 26.808 -3.910 2.839 1.00 13.31 C ATOM 1132 C ALA A 76 25.839 -4.929 3.394 1.00 0.45 C ATOM 1133 O ALA A 76 26.215 -5.814 4.154 1.00 12.11 O ATOM 1134 CB ALA A 76 26.536 -2.514 3.383 1.00 42.21 C ATOM 0 H ALA A 76 26.151 -3.268 0.969 1.00 72.22 H new ATOM 0 HA ALA A 76 27.813 -4.173 3.168 1.00 13.31 H new ATOM 0 HB1 ALA A 76 26.569 -2.535 4.472 1.00 42.21 H new ATOM 0 HB2 ALA A 76 27.293 -1.824 3.010 1.00 42.21 H new ATOM 0 HB3 ALA A 76 25.551 -2.182 3.056 1.00 42.21 H new ATOM 1140 N ALA A 77 24.608 -4.817 2.982 1.00 73.42 N ATOM 1141 CA ALA A 77 23.593 -5.754 3.365 1.00 23.04 C ATOM 1142 C ALA A 77 22.849 -6.191 2.122 1.00 65.21 C ATOM 1143 O ALA A 77 21.852 -5.591 1.746 1.00 25.14 O ATOM 1144 CB ALA A 77 22.643 -5.151 4.397 1.00 44.41 C ATOM 0 H ALA A 77 24.280 -4.070 2.369 1.00 73.42 H new ATOM 0 HA ALA A 77 24.056 -6.621 3.836 1.00 23.04 H new ATOM 0 HB1 ALA A 77 21.885 -5.886 4.667 1.00 44.41 H new ATOM 0 HB2 ALA A 77 23.205 -4.866 5.286 1.00 44.41 H new ATOM 0 HB3 ALA A 77 22.160 -4.270 3.975 1.00 44.41 H new ATOM 1150 N PRO A 78 23.376 -7.182 1.397 1.00 44.00 N ATOM 1151 CA PRO A 78 22.759 -7.637 0.186 1.00 22.45 C ATOM 1152 C PRO A 78 21.629 -8.619 0.433 1.00 33.43 C ATOM 1153 O PRO A 78 21.849 -9.834 0.482 1.00 74.23 O ATOM 1154 CB PRO A 78 23.906 -8.307 -0.597 1.00 72.13 C ATOM 1155 CG PRO A 78 25.110 -8.240 0.302 1.00 65.13 C ATOM 1156 CD PRO A 78 24.609 -7.902 1.677 1.00 53.05 C ATOM 0 HA PRO A 78 22.295 -6.812 -0.354 1.00 22.45 H new ATOM 0 HB2 PRO A 78 23.660 -9.340 -0.844 1.00 72.13 H new ATOM 0 HB3 PRO A 78 24.091 -7.789 -1.538 1.00 72.13 H new ATOM 0 HG2 PRO A 78 25.641 -9.192 0.308 1.00 65.13 H new ATOM 0 HG3 PRO A 78 25.813 -7.485 -0.049 1.00 65.13 H new ATOM 0 HD2 PRO A 78 24.430 -8.796 2.274 1.00 53.05 H new ATOM 0 HD3 PRO A 78 25.321 -7.288 2.228 1.00 53.05 H new ATOM 1164 N THR A 79 20.462 -8.067 0.630 1.00 45.11 N ATOM 1165 CA THR A 79 19.190 -8.753 0.748 1.00 1.11 C ATOM 1166 C THR A 79 18.187 -7.740 0.261 1.00 53.21 C ATOM 1167 O THR A 79 18.349 -6.556 0.563 1.00 31.45 O ATOM 1168 CB THR A 79 18.848 -9.140 2.229 1.00 54.40 C ATOM 1169 OG1 THR A 79 18.990 -8.006 3.092 1.00 3.32 O ATOM 1170 CG2 THR A 79 19.721 -10.264 2.746 1.00 21.10 C ATOM 0 H THR A 79 20.361 -7.056 0.719 1.00 45.11 H new ATOM 0 HA THR A 79 19.197 -9.688 0.187 1.00 1.11 H new ATOM 0 HB THR A 79 17.813 -9.483 2.229 1.00 54.40 H new ATOM 0 HG1 THR A 79 18.771 -8.265 4.011 1.00 3.32 H new ATOM 0 HG21 THR A 79 19.445 -10.495 3.775 1.00 21.10 H new ATOM 0 HG22 THR A 79 19.580 -11.149 2.125 1.00 21.10 H new ATOM 0 HG23 THR A 79 20.767 -9.958 2.710 1.00 21.10 H new ATOM 1178 N LEU A 80 17.177 -8.128 -0.469 1.00 61.15 N ATOM 1179 CA LEU A 80 16.282 -7.126 -1.022 1.00 21.23 C ATOM 1180 C LEU A 80 15.376 -6.595 0.046 1.00 74.03 C ATOM 1181 O LEU A 80 14.859 -5.481 -0.042 1.00 12.43 O ATOM 1182 CB LEU A 80 15.519 -7.656 -2.192 1.00 63.32 C ATOM 1183 CG LEU A 80 16.390 -8.162 -3.307 1.00 63.51 C ATOM 1184 CD1 LEU A 80 15.558 -8.797 -4.347 1.00 40.22 C ATOM 1185 CD2 LEU A 80 17.171 -7.040 -3.928 1.00 51.04 C ATOM 0 H LEU A 80 16.950 -9.096 -0.695 1.00 61.15 H new ATOM 0 HA LEU A 80 16.883 -6.297 -1.395 1.00 21.23 H new ATOM 0 HB2 LEU A 80 14.871 -8.465 -1.855 1.00 63.32 H new ATOM 0 HB3 LEU A 80 14.872 -6.869 -2.578 1.00 63.32 H new ATOM 0 HG LEU A 80 17.084 -8.890 -2.888 1.00 63.51 H new ATOM 0 HD11 LEU A 80 16.197 -9.161 -5.152 1.00 40.22 H new ATOM 0 HD12 LEU A 80 15.009 -9.633 -3.913 1.00 40.22 H new ATOM 0 HD13 LEU A 80 14.853 -8.067 -4.745 1.00 40.22 H new ATOM 0 HD21 LEU A 80 17.794 -7.432 -4.732 1.00 51.04 H new ATOM 0 HD22 LEU A 80 16.483 -6.297 -4.331 1.00 51.04 H new ATOM 0 HD23 LEU A 80 17.804 -6.576 -3.172 1.00 51.04 H new ATOM 1197 N ALA A 81 15.201 -7.406 1.052 1.00 15.01 N ATOM 1198 CA ALA A 81 14.518 -7.017 2.273 1.00 40.04 C ATOM 1199 C ALA A 81 15.191 -5.769 2.886 1.00 73.13 C ATOM 1200 O ALA A 81 14.517 -4.811 3.269 1.00 3.22 O ATOM 1201 CB ALA A 81 14.522 -8.169 3.267 1.00 12.34 C ATOM 0 H ALA A 81 15.530 -8.371 1.055 1.00 15.01 H new ATOM 0 HA ALA A 81 13.483 -6.770 2.035 1.00 40.04 H new ATOM 0 HB1 ALA A 81 14.007 -7.865 4.178 1.00 12.34 H new ATOM 0 HB2 ALA A 81 14.011 -9.028 2.831 1.00 12.34 H new ATOM 0 HB3 ALA A 81 15.550 -8.441 3.505 1.00 12.34 H new ATOM 1207 N ALA A 82 16.529 -5.771 2.941 1.00 73.54 N ATOM 1208 CA ALA A 82 17.270 -4.622 3.458 1.00 10.05 C ATOM 1209 C ALA A 82 17.380 -3.553 2.393 1.00 44.14 C ATOM 1210 O ALA A 82 17.446 -2.359 2.701 1.00 1.12 O ATOM 1211 CB ALA A 82 18.648 -5.022 3.954 1.00 25.25 C ATOM 0 H ALA A 82 17.113 -6.550 2.636 1.00 73.54 H new ATOM 0 HA ALA A 82 16.719 -4.223 4.309 1.00 10.05 H new ATOM 0 HB1 ALA A 82 19.169 -4.142 4.331 1.00 25.25 H new ATOM 0 HB2 ALA A 82 18.548 -5.755 4.755 1.00 25.25 H new ATOM 0 HB3 ALA A 82 19.218 -5.457 3.133 1.00 25.25 H new ATOM 1217 N TRP A 83 17.380 -3.971 1.131 1.00 3.32 N ATOM 1218 CA TRP A 83 17.407 -3.022 0.038 1.00 44.41 C ATOM 1219 C TRP A 83 16.145 -2.196 0.006 1.00 41.53 C ATOM 1220 O TRP A 83 16.170 -1.113 -0.481 1.00 22.34 O ATOM 1221 CB TRP A 83 17.685 -3.646 -1.338 1.00 61.40 C ATOM 1222 CG TRP A 83 19.098 -4.156 -1.541 1.00 63.04 C ATOM 1223 CD1 TRP A 83 20.043 -4.392 -0.587 1.00 45.24 C ATOM 1224 CD2 TRP A 83 19.710 -4.488 -2.791 1.00 45.22 C ATOM 1225 NE1 TRP A 83 21.196 -4.858 -1.162 1.00 35.41 N ATOM 1226 CE2 TRP A 83 21.017 -4.932 -2.515 1.00 55.21 C ATOM 1227 CE3 TRP A 83 19.276 -4.460 -4.116 1.00 11.33 C ATOM 1228 CZ2 TRP A 83 21.889 -5.346 -3.518 1.00 2.34 C ATOM 1229 CZ3 TRP A 83 20.140 -4.869 -5.108 1.00 62.00 C ATOM 1230 CH2 TRP A 83 21.428 -5.308 -4.805 1.00 14.13 C ATOM 0 H TRP A 83 17.362 -4.951 0.848 1.00 3.32 H new ATOM 0 HA TRP A 83 18.258 -2.373 0.242 1.00 44.41 H new ATOM 0 HB2 TRP A 83 16.992 -4.473 -1.491 1.00 61.40 H new ATOM 0 HB3 TRP A 83 17.470 -2.903 -2.106 1.00 61.40 H new ATOM 0 HD1 TRP A 83 19.903 -4.234 0.472 1.00 45.24 H new ATOM 0 HE1 TRP A 83 22.049 -5.109 -0.662 1.00 35.41 H new ATOM 0 HE3 TRP A 83 18.279 -4.123 -4.360 1.00 11.33 H new ATOM 0 HZ2 TRP A 83 22.889 -5.684 -3.289 1.00 2.34 H new ATOM 0 HZ3 TRP A 83 19.814 -4.849 -6.137 1.00 62.00 H new ATOM 0 HH2 TRP A 83 22.078 -5.626 -5.607 1.00 14.13 H new ATOM 1241 N ASN A 84 15.040 -2.718 0.554 1.00 33.04 N ATOM 1242 CA ASN A 84 13.794 -1.932 0.690 1.00 25.42 C ATOM 1243 C ASN A 84 14.095 -0.649 1.452 1.00 1.13 C ATOM 1244 O ASN A 84 13.717 0.442 1.027 1.00 44.41 O ATOM 1245 CB ASN A 84 12.692 -2.734 1.428 1.00 64.34 C ATOM 1246 CG ASN A 84 11.391 -1.934 1.666 1.00 35.04 C ATOM 1247 OD1 ASN A 84 10.464 -1.935 0.826 1.00 74.54 O ATOM 1248 ND2 ASN A 84 11.285 -1.275 2.807 1.00 64.05 N ATOM 0 H ASN A 84 14.977 -3.672 0.909 1.00 33.04 H new ATOM 0 HA ASN A 84 13.423 -1.700 -0.308 1.00 25.42 H new ATOM 0 HB2 ASN A 84 12.457 -3.628 0.850 1.00 64.34 H new ATOM 0 HB3 ASN A 84 13.082 -3.070 2.389 1.00 64.34 H new ATOM 0 HD21 ASN A 84 10.434 -0.753 3.017 1.00 64.05 H new ATOM 0 HD22 ASN A 84 12.054 -1.288 3.477 1.00 64.05 H new ATOM 1255 N GLN A 85 14.844 -0.791 2.537 1.00 23.45 N ATOM 1256 CA GLN A 85 15.247 0.339 3.365 1.00 43.53 C ATOM 1257 C GLN A 85 16.209 1.219 2.585 1.00 75.51 C ATOM 1258 O GLN A 85 16.071 2.449 2.540 1.00 32.03 O ATOM 1259 CB GLN A 85 15.923 -0.149 4.648 1.00 2.54 C ATOM 1260 CG GLN A 85 15.046 -1.006 5.543 1.00 44.44 C ATOM 1261 CD GLN A 85 13.713 -0.358 5.839 1.00 25.10 C ATOM 1262 OE1 GLN A 85 12.721 -0.603 5.137 1.00 60.10 O ATOM 1263 NE2 GLN A 85 13.692 0.516 6.797 1.00 44.31 N ATOM 0 H GLN A 85 15.189 -1.692 2.868 1.00 23.45 H new ATOM 0 HA GLN A 85 14.359 0.911 3.635 1.00 43.53 H new ATOM 0 HB2 GLN A 85 16.812 -0.720 4.379 1.00 2.54 H new ATOM 0 HB3 GLN A 85 16.261 0.718 5.216 1.00 2.54 H new ATOM 0 HG2 GLN A 85 14.879 -1.972 5.066 1.00 44.44 H new ATOM 0 HG3 GLN A 85 15.568 -1.200 6.480 1.00 44.44 H new ATOM 0 HE21 GLN A 85 14.532 0.686 7.350 1.00 44.31 H new ATOM 0 HE22 GLN A 85 12.836 1.033 6.997 1.00 44.31 H new ATOM 1272 N LEU A 86 17.158 0.566 1.927 1.00 62.05 N ATOM 1273 CA LEU A 86 18.140 1.238 1.097 1.00 32.12 C ATOM 1274 C LEU A 86 17.481 1.985 -0.065 1.00 13.41 C ATOM 1275 O LEU A 86 18.015 2.929 -0.587 1.00 53.43 O ATOM 1276 CB LEU A 86 19.179 0.252 0.574 1.00 61.44 C ATOM 1277 CG LEU A 86 20.124 -0.345 1.616 1.00 64.32 C ATOM 1278 CD1 LEU A 86 21.006 -1.379 0.970 1.00 40.43 C ATOM 1279 CD2 LEU A 86 20.994 0.742 2.227 1.00 14.41 C ATOM 0 H LEU A 86 17.266 -0.448 1.956 1.00 62.05 H new ATOM 0 HA LEU A 86 18.644 1.973 1.724 1.00 32.12 H new ATOM 0 HB2 LEU A 86 18.657 -0.565 0.077 1.00 61.44 H new ATOM 0 HB3 LEU A 86 19.779 0.756 -0.184 1.00 61.44 H new ATOM 0 HG LEU A 86 19.526 -0.808 2.401 1.00 64.32 H new ATOM 0 HD11 LEU A 86 21.678 -1.802 1.717 1.00 40.43 H new ATOM 0 HD12 LEU A 86 20.388 -2.171 0.548 1.00 40.43 H new ATOM 0 HD13 LEU A 86 21.591 -0.914 0.177 1.00 40.43 H new ATOM 0 HD21 LEU A 86 21.661 0.301 2.967 1.00 14.41 H new ATOM 0 HD22 LEU A 86 21.584 1.218 1.444 1.00 14.41 H new ATOM 0 HD23 LEU A 86 20.361 1.487 2.708 1.00 14.41 H new ATOM 1291 N MET A 87 16.353 1.535 -0.480 1.00 70.11 N ATOM 1292 CA MET A 87 15.635 2.202 -1.514 1.00 65.15 C ATOM 1293 C MET A 87 14.816 3.372 -0.967 1.00 24.05 C ATOM 1294 O MET A 87 15.143 4.531 -1.212 1.00 53.24 O ATOM 1295 CB MET A 87 14.767 1.202 -2.315 1.00 44.41 C ATOM 1296 CG MET A 87 15.600 0.209 -3.139 1.00 43.23 C ATOM 1297 SD MET A 87 14.648 -1.172 -3.829 1.00 72.35 S ATOM 1298 CE MET A 87 13.549 -0.331 -4.963 1.00 11.21 C ATOM 0 H MET A 87 15.899 0.697 -0.117 1.00 70.11 H new ATOM 0 HA MET A 87 16.360 2.630 -2.207 1.00 65.15 H new ATOM 0 HB2 MET A 87 14.130 0.648 -1.625 1.00 44.41 H new ATOM 0 HB3 MET A 87 14.107 1.756 -2.983 1.00 44.41 H new ATOM 0 HG2 MET A 87 16.082 0.747 -3.956 1.00 43.23 H new ATOM 0 HG3 MET A 87 16.394 -0.191 -2.509 1.00 43.23 H new ATOM 0 HE1 MET A 87 13.115 -1.055 -5.653 1.00 11.21 H new ATOM 0 HE2 MET A 87 12.753 0.159 -4.402 1.00 11.21 H new ATOM 0 HE3 MET A 87 14.109 0.416 -5.526 1.00 11.21 H new ATOM 1308 N LEU A 88 13.844 3.083 -0.136 1.00 53.05 N ATOM 1309 CA LEU A 88 12.869 4.094 0.227 1.00 63.14 C ATOM 1310 C LEU A 88 13.161 4.979 1.432 1.00 14.32 C ATOM 1311 O LEU A 88 12.614 6.075 1.527 1.00 42.20 O ATOM 1312 CB LEU A 88 11.477 3.516 0.254 1.00 3.13 C ATOM 1313 CG LEU A 88 11.253 2.258 1.043 1.00 72.13 C ATOM 1314 CD1 LEU A 88 11.265 2.528 2.527 1.00 52.52 C ATOM 1315 CD2 LEU A 88 9.979 1.660 0.594 1.00 2.31 C ATOM 0 H LEU A 88 13.704 2.171 0.299 1.00 53.05 H new ATOM 0 HA LEU A 88 12.955 4.818 -0.583 1.00 63.14 H new ATOM 0 HB2 LEU A 88 10.805 4.280 0.645 1.00 3.13 H new ATOM 0 HB3 LEU A 88 11.175 3.323 -0.775 1.00 3.13 H new ATOM 0 HG LEU A 88 12.065 1.553 0.865 1.00 72.13 H new ATOM 0 HD11 LEU A 88 11.100 1.596 3.068 1.00 52.52 H new ATOM 0 HD12 LEU A 88 12.230 2.947 2.813 1.00 52.52 H new ATOM 0 HD13 LEU A 88 10.474 3.236 2.774 1.00 52.52 H new ATOM 0 HD21 LEU A 88 9.791 0.743 1.152 1.00 2.31 H new ATOM 0 HD22 LEU A 88 9.165 2.364 0.768 1.00 2.31 H new ATOM 0 HD23 LEU A 88 10.039 1.432 -0.470 1.00 2.31 H new ATOM 1327 N SER A 89 13.992 4.541 2.334 1.00 54.12 N ATOM 1328 CA SER A 89 14.201 5.318 3.544 1.00 43.12 C ATOM 1329 C SER A 89 15.265 6.402 3.394 1.00 75.53 C ATOM 1330 O SER A 89 15.029 7.547 3.798 1.00 44.14 O ATOM 1331 CB SER A 89 14.627 4.403 4.683 1.00 72.25 C ATOM 1332 OG SER A 89 13.685 3.380 4.937 1.00 53.20 O ATOM 0 H SER A 89 14.528 3.675 2.269 1.00 54.12 H new ATOM 0 HA SER A 89 13.248 5.805 3.753 1.00 43.12 H new ATOM 0 HB2 SER A 89 15.591 3.954 4.443 1.00 72.25 H new ATOM 0 HB3 SER A 89 14.768 4.995 5.587 1.00 72.25 H new ATOM 0 HG SER A 89 13.848 2.999 5.825 1.00 53.20 H new ATOM 1338 N ARG A 90 16.371 6.042 2.715 1.00 64.15 N ATOM 1339 CA ARG A 90 17.682 6.788 2.681 1.00 61.43 C ATOM 1340 C ARG A 90 17.717 8.165 3.260 1.00 73.22 C ATOM 1341 O ARG A 90 17.874 9.158 2.546 1.00 33.25 O ATOM 1342 CB ARG A 90 18.363 6.786 1.357 1.00 33.13 C ATOM 1343 CG ARG A 90 18.619 5.438 0.823 1.00 34.41 C ATOM 1344 CD ARG A 90 19.275 4.476 1.812 1.00 24.52 C ATOM 1345 NE ARG A 90 20.384 5.020 2.578 1.00 63.21 N ATOM 1346 CZ ARG A 90 21.660 4.918 2.252 1.00 73.14 C ATOM 1347 NH1 ARG A 90 22.031 4.795 0.981 1.00 4.11 N ATOM 1348 NH2 ARG A 90 22.573 5.014 3.189 1.00 71.13 N ATOM 0 H ARG A 90 16.396 5.195 2.148 1.00 64.15 H new ATOM 0 HA ARG A 90 18.247 6.169 3.378 1.00 61.43 H new ATOM 0 HB2 ARG A 90 17.752 7.339 0.644 1.00 33.13 H new ATOM 0 HB3 ARG A 90 19.310 7.318 1.445 1.00 33.13 H new ATOM 0 HG2 ARG A 90 17.674 5.008 0.490 1.00 34.41 H new ATOM 0 HG3 ARG A 90 19.257 5.525 -0.057 1.00 34.41 H new ATOM 0 HD2 ARG A 90 18.514 4.125 2.509 1.00 24.52 H new ATOM 0 HD3 ARG A 90 19.630 3.604 1.262 1.00 24.52 H new ATOM 0 HE ARG A 90 20.159 5.521 3.437 1.00 63.21 H new ATOM 0 HH11 ARG A 90 21.327 4.779 0.243 1.00 4.11 H new ATOM 0 HH12 ARG A 90 23.020 4.717 0.744 1.00 4.11 H new ATOM 0 HH21 ARG A 90 22.295 5.166 4.158 1.00 71.13 H new ATOM 0 HH22 ARG A 90 23.561 4.937 2.948 1.00 71.13 H new ATOM 1362 N SER A 91 17.581 8.203 4.530 1.00 33.22 N ATOM 1363 CA SER A 91 17.596 9.430 5.313 1.00 12.24 C ATOM 1364 C SER A 91 18.052 9.110 6.762 1.00 50.02 C ATOM 1365 O SER A 91 19.004 9.706 7.234 1.00 62.34 O ATOM 1366 CB SER A 91 16.223 10.194 5.285 1.00 72.35 C ATOM 1367 OG SER A 91 15.683 10.291 3.958 1.00 22.22 O ATOM 0 H SER A 91 17.450 7.365 5.096 1.00 33.22 H new ATOM 0 HA SER A 91 18.312 10.113 4.855 1.00 12.24 H new ATOM 0 HB2 SER A 91 15.510 9.679 5.929 1.00 72.35 H new ATOM 0 HB3 SER A 91 16.358 11.195 5.695 1.00 72.35 H new ATOM 0 HG SER A 91 15.358 9.412 3.672 1.00 22.22 H new ATOM 1373 N PRO A 92 17.382 8.155 7.508 1.00 0.21 N ATOM 1374 CA PRO A 92 17.858 7.738 8.828 1.00 42.31 C ATOM 1375 C PRO A 92 18.619 6.409 8.725 1.00 51.02 C ATOM 1376 O PRO A 92 19.062 5.839 9.718 1.00 62.24 O ATOM 1377 CB PRO A 92 16.541 7.537 9.602 1.00 33.32 C ATOM 1378 CG PRO A 92 15.465 7.306 8.557 1.00 31.31 C ATOM 1379 CD PRO A 92 16.113 7.441 7.196 1.00 30.12 C ATOM 0 HA PRO A 92 18.541 8.448 9.294 1.00 42.31 H new ATOM 0 HB2 PRO A 92 16.614 6.686 10.280 1.00 33.32 H new ATOM 0 HB3 PRO A 92 16.310 8.411 10.211 1.00 33.32 H new ATOM 0 HG2 PRO A 92 15.023 6.316 8.674 1.00 31.31 H new ATOM 0 HG3 PRO A 92 14.659 8.031 8.671 1.00 31.31 H new ATOM 0 HD2 PRO A 92 16.297 6.470 6.737 1.00 30.12 H new ATOM 0 HD3 PRO A 92 15.489 8.007 6.505 1.00 30.12 H new ATOM 1387 N GLU A 93 18.751 5.972 7.500 1.00 32.14 N ATOM 1388 CA GLU A 93 19.323 4.737 7.088 1.00 63.03 C ATOM 1389 C GLU A 93 19.976 5.081 5.772 1.00 52.54 C ATOM 1390 O GLU A 93 21.192 4.948 5.613 1.00 3.41 O ATOM 1391 CB GLU A 93 18.197 3.689 6.839 1.00 64.12 C ATOM 1392 CG GLU A 93 17.312 3.374 8.056 1.00 24.15 C ATOM 1393 CD GLU A 93 16.094 2.525 7.709 1.00 50.53 C ATOM 1394 OE1 GLU A 93 15.035 3.104 7.373 1.00 61.21 O ATOM 1395 OE2 GLU A 93 16.171 1.281 7.767 1.00 32.25 O ATOM 1396 OXT GLU A 93 19.244 5.641 4.915 1.00 38.94 O ATOM 0 H GLU A 93 18.431 6.525 6.705 1.00 32.14 H new ATOM 0 HA GLU A 93 20.009 4.317 7.824 1.00 63.03 H new ATOM 0 HB2 GLU A 93 17.560 4.049 6.031 1.00 64.12 H new ATOM 0 HB3 GLU A 93 18.656 2.762 6.494 1.00 64.12 H new ATOM 0 HG2 GLU A 93 17.908 2.854 8.806 1.00 24.15 H new ATOM 0 HG3 GLU A 93 16.979 4.309 8.507 1.00 24.15 H new TER 1403 GLU A 93