USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=14 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= 0.582 K(o=1,f=-0.046) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.449 K(o=1,f=-0.07) USER MOD Set 2.1: A 56 MET CE :methyl 167:sc= -1.91 (180deg=-2.5) USER MOD Set 2.2: A 75 TYR OH : rot 30:sc= -0.0073 USER MOD Set 3.1: A 64 LYS NZ :NH3+ 173:sc= 2.03 (180deg=0.821) USER MOD Set 3.2: A 65 ASN : amide:sc= -0.177 K(o=2.5,f=-18!) USER MOD Set 3.3: A 67 TYR OH : rot -2:sc= 0.682 USER MOD Set 3.4: A 87 MET CE :methyl 144:sc= -0.0419 (180deg=-1.06) USER MOD Single : A 15 ASN : amide:sc= 0.403 K(o=0.4,f=-7.8!) USER MOD Single : A 17 HIS : no HD1:sc= -0.529 X(o=-0.53,f=-0.11) USER MOD Single : A 21 TYR OH : rot 40:sc= 0.865 USER MOD Single : A 22 GLN : amide:sc= -2.59! C(o=-2.6!,f=-8.6!) USER MOD Single : A 23 GLN : amide:sc= 0.308 X(o=0.31,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.918! C(o=-0.92!,f=-6!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.69) USER MOD Single : A 40 HIS : no HE2:sc= 0.846 K(o=0.85,f=-2.8!) USER MOD Single : A 43 SER OG : rot 92:sc= 1.12 USER MOD Single : A 44 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.9!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 60 HIS : no HE2:sc= -1.12! C(o=-1.1!,f=-2.9!) USER MOD Single : A 70 THR OG1 : rot 79:sc= 0.919 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.426 USER MOD Single : A 89 SER OG : rot 84:sc= 0.126 USER MOD Single : A 91 SER OG : rot 160:sc= -0.375 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -0.929 2.425 -4.215 1.00 71.12 N ATOM 2 CA ASP A 14 0.436 1.917 -4.015 1.00 43.42 C ATOM 3 C ASP A 14 1.382 2.972 -4.530 1.00 43.32 C ATOM 4 O ASP A 14 0.971 4.112 -4.713 1.00 33.13 O ATOM 5 CB ASP A 14 0.616 0.644 -4.837 1.00 12.13 C ATOM 6 CG ASP A 14 0.422 0.938 -6.297 1.00 22.12 C ATOM 7 OD1 ASP A 14 -0.727 1.261 -6.676 1.00 61.54 O ATOM 8 OD2 ASP A 14 1.399 0.920 -7.063 1.00 23.01 O ATOM 0 HA ASP A 14 0.625 1.699 -2.964 1.00 43.42 H new ATOM 0 HB2 ASP A 14 1.612 0.233 -4.671 1.00 12.13 H new ATOM 0 HB3 ASP A 14 -0.100 -0.111 -4.512 1.00 12.13 H new ATOM 13 N ASN A 15 2.621 2.607 -4.744 1.00 14.43 N ATOM 14 CA ASN A 15 3.612 3.498 -5.283 1.00 34.31 C ATOM 15 C ASN A 15 4.416 2.699 -6.268 1.00 13.12 C ATOM 16 O ASN A 15 5.027 1.696 -5.898 1.00 44.35 O ATOM 17 CB ASN A 15 4.514 4.072 -4.164 1.00 51.44 C ATOM 18 CG ASN A 15 5.535 5.117 -4.646 1.00 63.33 C ATOM 19 OD1 ASN A 15 6.021 5.082 -5.775 1.00 32.11 O ATOM 20 ND2 ASN A 15 5.858 6.055 -3.788 1.00 43.44 N ATOM 0 H ASN A 15 2.972 1.670 -4.546 1.00 14.43 H new ATOM 0 HA ASN A 15 3.142 4.354 -5.767 1.00 34.31 H new ATOM 0 HB2 ASN A 15 3.882 4.525 -3.400 1.00 51.44 H new ATOM 0 HB3 ASN A 15 5.050 3.251 -3.688 1.00 51.44 H new ATOM 0 HD21 ASN A 15 6.527 6.778 -4.051 1.00 43.44 H new ATOM 0 HD22 ASN A 15 5.440 6.061 -2.858 1.00 43.44 H new ATOM 27 N ARG A 16 4.417 3.150 -7.505 1.00 24.31 N ATOM 28 CA ARG A 16 5.067 2.450 -8.616 1.00 55.50 C ATOM 29 C ARG A 16 6.559 2.274 -8.374 1.00 1.43 C ATOM 30 O ARG A 16 7.150 1.308 -8.807 1.00 33.44 O ATOM 31 CB ARG A 16 4.853 3.214 -9.922 1.00 44.51 C ATOM 32 CG ARG A 16 3.394 3.465 -10.290 1.00 25.32 C ATOM 33 CD ARG A 16 2.603 2.171 -10.454 1.00 1.53 C ATOM 34 NE ARG A 16 1.263 2.425 -11.023 1.00 24.12 N ATOM 35 CZ ARG A 16 0.094 2.043 -10.469 1.00 23.30 C ATOM 36 NH1 ARG A 16 0.072 1.478 -9.284 1.00 31.34 N ATOM 37 NH2 ARG A 16 -1.056 2.265 -11.112 1.00 73.22 N ATOM 0 H ARG A 16 3.964 4.022 -7.780 1.00 24.31 H new ATOM 0 HA ARG A 16 4.612 1.462 -8.688 1.00 55.50 H new ATOM 0 HB2 ARG A 16 5.365 4.174 -9.852 1.00 44.51 H new ATOM 0 HB3 ARG A 16 5.326 2.659 -10.732 1.00 44.51 H new ATOM 0 HG2 ARG A 16 2.928 4.077 -9.518 1.00 25.32 H new ATOM 0 HG3 ARG A 16 3.349 4.035 -11.218 1.00 25.32 H new ATOM 0 HD2 ARG A 16 3.151 1.488 -11.102 1.00 1.53 H new ATOM 0 HD3 ARG A 16 2.502 1.680 -9.486 1.00 1.53 H new ATOM 0 HE ARG A 16 1.218 2.931 -11.908 1.00 24.12 H new ATOM 0 HH11 ARG A 16 0.943 1.325 -8.776 1.00 31.34 H new ATOM 0 HH12 ARG A 16 -0.816 1.192 -8.872 1.00 31.34 H new ATOM 0 HH21 ARG A 16 -1.051 2.724 -12.023 1.00 73.22 H new ATOM 0 HH22 ARG A 16 -1.939 1.976 -10.692 1.00 73.22 H new ATOM 51 N HIS A 17 7.137 3.185 -7.637 1.00 22.30 N ATOM 52 CA HIS A 17 8.556 3.151 -7.371 1.00 74.24 C ATOM 53 C HIS A 17 8.933 2.182 -6.263 1.00 2.13 C ATOM 54 O HIS A 17 10.084 1.776 -6.134 1.00 14.43 O ATOM 55 CB HIS A 17 9.137 4.552 -7.217 1.00 71.23 C ATOM 56 CG HIS A 17 9.209 5.256 -8.546 1.00 42.44 C ATOM 57 ND1 HIS A 17 9.105 6.622 -8.722 1.00 20.44 N ATOM 58 CD2 HIS A 17 9.408 4.731 -9.790 1.00 51.50 C ATOM 59 CE1 HIS A 17 9.240 6.877 -10.033 1.00 2.41 C ATOM 60 NE2 HIS A 17 9.426 5.767 -10.723 1.00 12.51 N ATOM 0 H HIS A 17 6.645 3.967 -7.206 1.00 22.30 H new ATOM 0 HA HIS A 17 9.039 2.734 -8.255 1.00 74.24 H new ATOM 0 HB2 HIS A 17 8.522 5.131 -6.528 1.00 71.23 H new ATOM 0 HB3 HIS A 17 10.134 4.490 -6.780 1.00 71.23 H new ATOM 0 HD2 HIS A 17 9.532 3.682 -10.015 1.00 51.50 H new ATOM 0 HE1 HIS A 17 9.201 7.865 -10.468 1.00 2.41 H new ATOM 0 HE2 HIS A 17 9.556 5.684 -11.731 1.00 12.51 H new ATOM 68 N ALA A 18 7.969 1.825 -5.449 1.00 1.02 N ATOM 69 CA ALA A 18 8.176 0.775 -4.474 1.00 32.14 C ATOM 70 C ALA A 18 7.878 -0.550 -5.159 1.00 22.34 C ATOM 71 O ALA A 18 8.351 -1.605 -4.755 1.00 22.14 O ATOM 72 CB ALA A 18 7.283 0.971 -3.270 1.00 61.51 C ATOM 0 H ALA A 18 7.038 2.241 -5.440 1.00 1.02 H new ATOM 0 HA ALA A 18 9.204 0.793 -4.112 1.00 32.14 H new ATOM 0 HB1 ALA A 18 7.458 0.169 -2.553 1.00 61.51 H new ATOM 0 HB2 ALA A 18 7.507 1.930 -2.803 1.00 61.51 H new ATOM 0 HB3 ALA A 18 6.239 0.955 -3.585 1.00 61.51 H new ATOM 78 N ALA A 19 7.113 -0.464 -6.248 1.00 2.11 N ATOM 79 CA ALA A 19 6.784 -1.614 -7.060 1.00 42.25 C ATOM 80 C ALA A 19 8.004 -2.046 -7.862 1.00 55.04 C ATOM 81 O ALA A 19 8.087 -3.208 -8.289 1.00 43.22 O ATOM 82 CB ALA A 19 5.593 -1.334 -7.967 1.00 10.01 C ATOM 0 H ALA A 19 6.709 0.410 -6.584 1.00 2.11 H new ATOM 0 HA ALA A 19 6.494 -2.432 -6.401 1.00 42.25 H new ATOM 0 HB1 ALA A 19 5.373 -2.220 -8.563 1.00 10.01 H new ATOM 0 HB2 ALA A 19 4.724 -1.081 -7.359 1.00 10.01 H new ATOM 0 HB3 ALA A 19 5.828 -0.500 -8.629 1.00 10.01 H new ATOM 88 N ASP A 20 8.974 -1.104 -8.046 1.00 51.31 N ATOM 89 CA ASP A 20 10.274 -1.434 -8.665 1.00 11.34 C ATOM 90 C ASP A 20 10.888 -2.616 -7.942 1.00 15.35 C ATOM 91 O ASP A 20 11.449 -3.481 -8.537 1.00 61.54 O ATOM 92 CB ASP A 20 11.299 -0.276 -8.621 1.00 13.32 C ATOM 93 CG ASP A 20 11.169 0.751 -9.735 1.00 0.23 C ATOM 94 OD1 ASP A 20 11.674 0.511 -10.866 1.00 31.44 O ATOM 95 OD2 ASP A 20 10.659 1.834 -9.477 1.00 53.13 O ATOM 0 H ASP A 20 8.874 -0.126 -7.776 1.00 51.31 H new ATOM 0 HA ASP A 20 10.062 -1.651 -9.712 1.00 11.34 H new ATOM 0 HB2 ASP A 20 11.202 0.237 -7.664 1.00 13.32 H new ATOM 0 HB3 ASP A 20 12.303 -0.700 -8.656 1.00 13.32 H new ATOM 100 N TYR A 21 10.705 -2.651 -6.625 1.00 3.01 N ATOM 101 CA TYR A 21 11.214 -3.718 -5.755 1.00 31.24 C ATOM 102 C TYR A 21 10.633 -5.085 -6.133 1.00 35.22 C ATOM 103 O TYR A 21 11.336 -6.101 -6.111 1.00 24.43 O ATOM 104 CB TYR A 21 10.872 -3.383 -4.303 1.00 52.50 C ATOM 105 CG TYR A 21 11.271 -4.439 -3.335 1.00 71.22 C ATOM 106 CD1 TYR A 21 12.596 -4.639 -3.029 1.00 34.14 C ATOM 107 CD2 TYR A 21 10.317 -5.248 -2.734 1.00 31.50 C ATOM 108 CE1 TYR A 21 12.971 -5.607 -2.151 1.00 24.30 C ATOM 109 CE2 TYR A 21 10.683 -6.225 -1.852 1.00 2.52 C ATOM 110 CZ TYR A 21 12.010 -6.403 -1.559 1.00 24.42 C ATOM 111 OH TYR A 21 12.381 -7.375 -0.668 1.00 63.22 O ATOM 0 H TYR A 21 10.191 -1.929 -6.120 1.00 3.01 H new ATOM 0 HA TYR A 21 12.295 -3.780 -5.881 1.00 31.24 H new ATOM 0 HB2 TYR A 21 11.362 -2.449 -4.030 1.00 52.50 H new ATOM 0 HB3 TYR A 21 9.798 -3.215 -4.222 1.00 52.50 H new ATOM 0 HD1 TYR A 21 13.349 -4.019 -3.492 1.00 34.14 H new ATOM 0 HD2 TYR A 21 9.272 -5.103 -2.966 1.00 31.50 H new ATOM 0 HE1 TYR A 21 14.015 -5.753 -1.918 1.00 24.30 H new ATOM 0 HE2 TYR A 21 9.934 -6.851 -1.390 1.00 2.52 H new ATOM 0 HH TYR A 21 13.101 -7.036 -0.095 1.00 63.22 H new ATOM 121 N GLN A 22 9.380 -5.108 -6.495 1.00 12.41 N ATOM 122 CA GLN A 22 8.745 -6.364 -6.868 1.00 51.41 C ATOM 123 C GLN A 22 9.200 -6.791 -8.255 1.00 14.24 C ATOM 124 O GLN A 22 9.447 -7.968 -8.509 1.00 53.23 O ATOM 125 CB GLN A 22 7.221 -6.265 -6.777 1.00 32.35 C ATOM 126 CG GLN A 22 6.700 -5.968 -5.364 1.00 11.30 C ATOM 127 CD GLN A 22 7.015 -7.067 -4.337 1.00 32.31 C ATOM 128 OE1 GLN A 22 8.012 -7.774 -4.425 1.00 12.13 O ATOM 129 NE2 GLN A 22 6.167 -7.205 -3.355 1.00 10.43 N ATOM 0 H GLN A 22 8.776 -4.288 -6.543 1.00 12.41 H new ATOM 0 HA GLN A 22 9.055 -7.132 -6.160 1.00 51.41 H new ATOM 0 HB2 GLN A 22 6.877 -5.482 -7.453 1.00 32.35 H new ATOM 0 HB3 GLN A 22 6.785 -7.201 -7.125 1.00 32.35 H new ATOM 0 HG2 GLN A 22 7.131 -5.028 -5.019 1.00 11.30 H new ATOM 0 HG3 GLN A 22 5.620 -5.826 -5.409 1.00 11.30 H new ATOM 0 HE21 GLN A 22 5.344 -6.604 -3.303 1.00 10.43 H new ATOM 0 HE22 GLN A 22 6.327 -7.914 -2.639 1.00 10.43 H new ATOM 138 N GLN A 23 9.375 -5.810 -9.114 1.00 53.14 N ATOM 139 CA GLN A 23 9.857 -6.017 -10.471 1.00 12.30 C ATOM 140 C GLN A 23 11.363 -6.383 -10.435 1.00 62.33 C ATOM 141 O GLN A 23 11.886 -7.063 -11.319 1.00 72.23 O ATOM 142 CB GLN A 23 9.571 -4.736 -11.265 1.00 73.52 C ATOM 143 CG GLN A 23 10.046 -4.709 -12.701 1.00 12.04 C ATOM 144 CD GLN A 23 9.543 -3.468 -13.419 1.00 31.24 C ATOM 145 OE1 GLN A 23 8.500 -3.486 -14.053 1.00 1.24 O ATOM 146 NE2 GLN A 23 10.236 -2.366 -13.261 1.00 21.14 N ATOM 0 H GLN A 23 9.185 -4.833 -8.891 1.00 53.14 H new ATOM 0 HA GLN A 23 9.349 -6.847 -10.962 1.00 12.30 H new ATOM 0 HB2 GLN A 23 8.495 -4.565 -11.259 1.00 73.52 H new ATOM 0 HB3 GLN A 23 10.030 -3.899 -10.739 1.00 73.52 H new ATOM 0 HG2 GLN A 23 11.135 -4.732 -12.728 1.00 12.04 H new ATOM 0 HG3 GLN A 23 9.695 -5.601 -13.220 1.00 12.04 H new ATOM 0 HE21 GLN A 23 11.104 -2.382 -12.726 1.00 21.14 H new ATOM 0 HE22 GLN A 23 9.907 -1.493 -13.673 1.00 21.14 H new ATOM 155 N LEU A 24 12.026 -5.933 -9.380 1.00 73.15 N ATOM 156 CA LEU A 24 13.419 -6.242 -9.096 1.00 32.40 C ATOM 157 C LEU A 24 13.497 -7.746 -8.854 1.00 50.02 C ATOM 158 O LEU A 24 14.274 -8.443 -9.496 1.00 34.44 O ATOM 159 CB LEU A 24 13.852 -5.446 -7.822 1.00 22.03 C ATOM 160 CG LEU A 24 15.347 -5.172 -7.570 1.00 42.02 C ATOM 161 CD1 LEU A 24 15.496 -4.297 -6.340 1.00 71.21 C ATOM 162 CD2 LEU A 24 16.136 -6.443 -7.374 1.00 74.24 C ATOM 0 H LEU A 24 11.599 -5.327 -8.680 1.00 73.15 H new ATOM 0 HA LEU A 24 14.082 -5.964 -9.915 1.00 32.40 H new ATOM 0 HB2 LEU A 24 13.344 -4.482 -7.851 1.00 22.03 H new ATOM 0 HB3 LEU A 24 13.468 -5.983 -6.955 1.00 22.03 H new ATOM 0 HG LEU A 24 15.743 -4.669 -8.452 1.00 42.02 H new ATOM 0 HD11 LEU A 24 16.553 -4.101 -6.159 1.00 71.21 H new ATOM 0 HD12 LEU A 24 14.974 -3.353 -6.499 1.00 71.21 H new ATOM 0 HD13 LEU A 24 15.068 -4.807 -5.477 1.00 71.21 H new ATOM 0 HD21 LEU A 24 17.184 -6.198 -7.200 1.00 74.24 H new ATOM 0 HD22 LEU A 24 15.743 -6.986 -6.515 1.00 74.24 H new ATOM 0 HD23 LEU A 24 16.052 -7.064 -8.266 1.00 74.24 H new ATOM 174 N ARG A 25 12.626 -8.232 -7.953 1.00 62.41 N ATOM 175 CA ARG A 25 12.537 -9.659 -7.621 1.00 11.45 C ATOM 176 C ARG A 25 12.266 -10.484 -8.861 1.00 71.03 C ATOM 177 O ARG A 25 12.914 -11.504 -9.096 1.00 65.21 O ATOM 178 CB ARG A 25 11.421 -9.928 -6.599 1.00 34.32 C ATOM 179 CG ARG A 25 11.689 -9.382 -5.219 1.00 4.43 C ATOM 180 CD ARG A 25 10.600 -9.779 -4.241 1.00 53.40 C ATOM 181 NE ARG A 25 10.943 -9.445 -2.858 1.00 11.24 N ATOM 182 CZ ARG A 25 10.885 -10.298 -1.813 1.00 11.52 C ATOM 183 NH1 ARG A 25 10.557 -11.579 -1.995 1.00 25.12 N ATOM 184 NH2 ARG A 25 11.180 -9.865 -0.602 1.00 51.55 N ATOM 0 H ARG A 25 11.968 -7.647 -7.438 1.00 62.41 H new ATOM 0 HA ARG A 25 13.496 -9.945 -7.189 1.00 11.45 H new ATOM 0 HB2 ARG A 25 10.492 -9.496 -6.972 1.00 34.32 H new ATOM 0 HB3 ARG A 25 11.265 -11.004 -6.526 1.00 34.32 H new ATOM 0 HG2 ARG A 25 12.651 -9.749 -4.862 1.00 4.43 H new ATOM 0 HG3 ARG A 25 11.760 -8.295 -5.264 1.00 4.43 H new ATOM 0 HD2 ARG A 25 9.671 -9.278 -4.513 1.00 53.40 H new ATOM 0 HD3 ARG A 25 10.419 -10.851 -4.319 1.00 53.40 H new ATOM 0 HE ARG A 25 11.251 -8.491 -2.668 1.00 11.24 H new ATOM 0 HH11 ARG A 25 10.347 -11.923 -2.932 1.00 25.12 H new ATOM 0 HH12 ARG A 25 10.517 -12.213 -1.197 1.00 25.12 H new ATOM 0 HH21 ARG A 25 11.450 -8.892 -0.460 1.00 51.55 H new ATOM 0 HH22 ARG A 25 11.138 -10.504 0.192 1.00 51.55 H new ATOM 198 N GLU A 26 11.311 -10.016 -9.637 1.00 31.00 N ATOM 199 CA GLU A 26 10.888 -10.637 -10.853 1.00 22.33 C ATOM 200 C GLU A 26 12.083 -10.815 -11.813 1.00 14.43 C ATOM 201 O GLU A 26 12.436 -11.943 -12.167 1.00 65.43 O ATOM 202 CB GLU A 26 9.785 -9.761 -11.429 1.00 15.54 C ATOM 203 CG GLU A 26 8.986 -10.378 -12.537 1.00 61.11 C ATOM 204 CD GLU A 26 9.718 -10.425 -13.840 1.00 52.41 C ATOM 205 OE1 GLU A 26 9.975 -9.360 -14.421 1.00 62.12 O ATOM 206 OE2 GLU A 26 10.081 -11.520 -14.279 1.00 52.34 O ATOM 0 H GLU A 26 10.796 -9.162 -9.422 1.00 31.00 H new ATOM 0 HA GLU A 26 10.500 -11.642 -10.685 1.00 22.33 H new ATOM 0 HB2 GLU A 26 9.105 -9.486 -10.623 1.00 15.54 H new ATOM 0 HB3 GLU A 26 10.233 -8.838 -11.797 1.00 15.54 H new ATOM 0 HG2 GLU A 26 8.703 -11.391 -12.251 1.00 61.11 H new ATOM 0 HG3 GLU A 26 8.063 -9.814 -12.667 1.00 61.11 H new ATOM 213 N ARG A 27 12.748 -9.711 -12.160 1.00 54.31 N ATOM 214 CA ARG A 27 13.869 -9.751 -13.035 1.00 12.41 C ATOM 215 C ARG A 27 15.015 -10.623 -12.512 1.00 65.43 C ATOM 216 O ARG A 27 15.722 -11.265 -13.307 1.00 54.12 O ATOM 217 CB ARG A 27 14.331 -8.373 -13.338 1.00 43.23 C ATOM 218 CG ARG A 27 15.493 -8.389 -14.256 1.00 2.14 C ATOM 219 CD ARG A 27 15.258 -9.084 -15.601 1.00 70.14 C ATOM 220 NE ARG A 27 16.544 -9.308 -16.286 1.00 32.50 N ATOM 221 CZ ARG A 27 16.722 -9.763 -17.528 1.00 11.42 C ATOM 222 NH1 ARG A 27 15.697 -10.199 -18.252 1.00 5.44 N ATOM 223 NH2 ARG A 27 17.961 -9.863 -18.002 1.00 11.02 N ATOM 0 H ARG A 27 12.507 -8.776 -11.830 1.00 54.31 H new ATOM 0 HA ARG A 27 13.536 -10.226 -13.958 1.00 12.41 H new ATOM 0 HB2 ARG A 27 13.517 -7.804 -13.787 1.00 43.23 H new ATOM 0 HB3 ARG A 27 14.602 -7.865 -12.412 1.00 43.23 H new ATOM 0 HG2 ARG A 27 15.798 -7.360 -14.446 1.00 2.14 H new ATOM 0 HG3 ARG A 27 16.325 -8.881 -13.753 1.00 2.14 H new ATOM 0 HD2 ARG A 27 14.750 -10.036 -15.444 1.00 70.14 H new ATOM 0 HD3 ARG A 27 14.606 -8.474 -16.226 1.00 70.14 H new ATOM 0 HE ARG A 27 17.387 -9.092 -15.754 1.00 32.50 H new ATOM 0 HH11 ARG A 27 14.755 -10.189 -17.860 1.00 5.44 H new ATOM 0 HH12 ARG A 27 15.852 -10.543 -19.200 1.00 5.44 H new ATOM 0 HH21 ARG A 27 18.753 -9.594 -17.419 1.00 11.02 H new ATOM 0 HH22 ARG A 27 18.119 -10.208 -18.949 1.00 11.02 H new ATOM 237 N LEU A 28 15.195 -10.684 -11.196 1.00 75.42 N ATOM 238 CA LEU A 28 16.230 -11.543 -10.639 1.00 22.32 C ATOM 239 C LEU A 28 15.958 -12.973 -11.003 1.00 11.23 C ATOM 240 O LEU A 28 16.836 -13.677 -11.432 1.00 24.13 O ATOM 241 CB LEU A 28 16.349 -11.407 -9.120 1.00 43.43 C ATOM 242 CG LEU A 28 16.661 -10.016 -8.607 1.00 54.40 C ATOM 243 CD1 LEU A 28 16.983 -10.039 -7.132 1.00 24.33 C ATOM 244 CD2 LEU A 28 17.772 -9.389 -9.415 1.00 15.11 C ATOM 0 H LEU A 28 14.650 -10.161 -10.510 1.00 75.42 H new ATOM 0 HA LEU A 28 17.180 -11.223 -11.068 1.00 22.32 H new ATOM 0 HB2 LEU A 28 15.414 -11.739 -8.670 1.00 43.43 H new ATOM 0 HB3 LEU A 28 17.128 -12.086 -8.773 1.00 43.43 H new ATOM 0 HG LEU A 28 15.773 -9.397 -8.730 1.00 54.40 H new ATOM 0 HD11 LEU A 28 17.203 -9.027 -6.792 1.00 24.33 H new ATOM 0 HD12 LEU A 28 16.129 -10.430 -6.579 1.00 24.33 H new ATOM 0 HD13 LEU A 28 17.850 -10.676 -6.959 1.00 24.33 H new ATOM 0 HD21 LEU A 28 17.982 -8.390 -9.032 1.00 15.11 H new ATOM 0 HD22 LEU A 28 18.669 -10.003 -9.338 1.00 15.11 H new ATOM 0 HD23 LEU A 28 17.468 -9.320 -10.459 1.00 15.11 H new ATOM 256 N ILE A 29 14.714 -13.346 -10.920 1.00 24.43 N ATOM 257 CA ILE A 29 14.257 -14.694 -11.210 1.00 43.31 C ATOM 258 C ILE A 29 14.538 -15.099 -12.641 1.00 74.03 C ATOM 259 O ILE A 29 14.800 -16.260 -12.918 1.00 60.43 O ATOM 260 CB ILE A 29 12.750 -14.839 -10.838 1.00 34.12 C ATOM 261 CG1 ILE A 29 12.622 -15.432 -9.466 1.00 5.51 C ATOM 262 CG2 ILE A 29 11.906 -15.603 -11.856 1.00 13.42 C ATOM 263 CD1 ILE A 29 13.342 -14.662 -8.412 1.00 40.53 C ATOM 0 H ILE A 29 13.963 -12.714 -10.643 1.00 24.43 H new ATOM 0 HA ILE A 29 14.827 -15.387 -10.591 1.00 43.31 H new ATOM 0 HB ILE A 29 12.337 -13.830 -10.850 1.00 34.12 H new ATOM 0 HG12 ILE A 29 11.566 -15.492 -9.203 1.00 5.51 H new ATOM 0 HG13 ILE A 29 13.005 -16.453 -9.484 1.00 5.51 H new ATOM 0 HG21 ILE A 29 10.874 -15.651 -11.510 1.00 13.42 H new ATOM 0 HG22 ILE A 29 11.943 -15.090 -12.817 1.00 13.42 H new ATOM 0 HG23 ILE A 29 12.299 -16.614 -11.969 1.00 13.42 H new ATOM 0 HD11 ILE A 29 13.205 -15.150 -7.447 1.00 40.53 H new ATOM 0 HD12 ILE A 29 14.405 -14.624 -8.651 1.00 40.53 H new ATOM 0 HD13 ILE A 29 12.944 -13.648 -8.366 1.00 40.53 H new ATOM 275 N GLN A 30 14.529 -14.140 -13.517 1.00 54.24 N ATOM 276 CA GLN A 30 14.800 -14.384 -14.910 1.00 63.30 C ATOM 277 C GLN A 30 16.264 -14.734 -15.098 1.00 41.33 C ATOM 278 O GLN A 30 16.618 -15.604 -15.880 1.00 24.11 O ATOM 279 CB GLN A 30 14.499 -13.148 -15.715 1.00 52.51 C ATOM 280 CG GLN A 30 13.122 -12.576 -15.477 1.00 23.12 C ATOM 281 CD GLN A 30 12.816 -11.410 -16.410 1.00 33.34 C ATOM 282 OE1 GLN A 30 13.376 -11.306 -17.508 1.00 52.40 O ATOM 283 NE2 GLN A 30 11.895 -10.598 -16.054 1.00 10.40 N ATOM 0 H GLN A 30 14.334 -13.165 -13.291 1.00 54.24 H new ATOM 0 HA GLN A 30 14.173 -15.210 -15.246 1.00 63.30 H new ATOM 0 HB2 GLN A 30 15.242 -12.386 -15.482 1.00 52.51 H new ATOM 0 HB3 GLN A 30 14.605 -13.383 -16.774 1.00 52.51 H new ATOM 0 HG2 GLN A 30 12.376 -13.358 -15.618 1.00 23.12 H new ATOM 0 HG3 GLN A 30 13.042 -12.242 -14.442 1.00 23.12 H new ATOM 0 HE21 GLN A 30 11.447 -10.703 -15.144 1.00 10.40 H new ATOM 0 HE22 GLN A 30 11.608 -9.846 -16.680 1.00 10.40 H new ATOM 292 N GLU A 31 17.106 -14.054 -14.358 1.00 51.11 N ATOM 293 CA GLU A 31 18.532 -14.238 -14.474 1.00 3.32 C ATOM 294 C GLU A 31 19.019 -15.391 -13.609 1.00 15.31 C ATOM 295 O GLU A 31 20.064 -15.986 -13.881 1.00 30.25 O ATOM 296 CB GLU A 31 19.265 -12.928 -14.146 1.00 63.02 C ATOM 297 CG GLU A 31 18.776 -11.783 -15.015 1.00 64.41 C ATOM 298 CD GLU A 31 19.602 -10.511 -14.948 1.00 52.33 C ATOM 299 OE1 GLU A 31 20.808 -10.581 -14.674 1.00 31.34 O ATOM 300 OE2 GLU A 31 19.058 -9.402 -15.236 1.00 71.31 O ATOM 0 H GLU A 31 16.825 -13.362 -13.663 1.00 51.11 H new ATOM 0 HA GLU A 31 18.761 -14.504 -15.506 1.00 3.32 H new ATOM 0 HB2 GLU A 31 19.114 -12.679 -13.096 1.00 63.02 H new ATOM 0 HB3 GLU A 31 20.337 -13.064 -14.291 1.00 63.02 H new ATOM 0 HG2 GLU A 31 18.748 -12.123 -16.050 1.00 64.41 H new ATOM 0 HG3 GLU A 31 17.751 -11.545 -14.729 1.00 64.41 H new ATOM 307 N LEU A 32 18.260 -15.701 -12.576 1.00 40.53 N ATOM 308 CA LEU A 32 18.603 -16.756 -11.671 1.00 31.35 C ATOM 309 C LEU A 32 17.976 -18.081 -12.091 1.00 23.22 C ATOM 310 O LEU A 32 18.449 -19.135 -11.692 1.00 3.42 O ATOM 311 CB LEU A 32 18.156 -16.394 -10.244 1.00 74.02 C ATOM 312 CG LEU A 32 18.719 -15.089 -9.687 1.00 41.22 C ATOM 313 CD1 LEU A 32 18.313 -14.864 -8.246 1.00 72.34 C ATOM 314 CD2 LEU A 32 20.222 -14.963 -9.880 1.00 53.15 C ATOM 0 H LEU A 32 17.389 -15.222 -12.349 1.00 40.53 H new ATOM 0 HA LEU A 32 19.686 -16.875 -11.694 1.00 31.35 H new ATOM 0 HB2 LEU A 32 17.068 -16.336 -10.227 1.00 74.02 H new ATOM 0 HB3 LEU A 32 18.442 -17.206 -9.576 1.00 74.02 H new ATOM 0 HG LEU A 32 18.269 -14.290 -10.276 1.00 41.22 H new ATOM 0 HD11 LEU A 32 18.736 -13.924 -7.891 1.00 72.34 H new ATOM 0 HD12 LEU A 32 17.226 -14.822 -8.177 1.00 72.34 H new ATOM 0 HD13 LEU A 32 18.684 -15.684 -7.631 1.00 72.34 H new ATOM 0 HD21 LEU A 32 20.564 -14.015 -9.464 1.00 53.15 H new ATOM 0 HD22 LEU A 32 20.724 -15.785 -9.371 1.00 53.15 H new ATOM 0 HD23 LEU A 32 20.456 -14.998 -10.944 1.00 53.15 H new ATOM 326 N ASN A 33 16.934 -17.999 -12.936 1.00 52.21 N ATOM 327 CA ASN A 33 16.112 -19.159 -13.363 1.00 55.20 C ATOM 328 C ASN A 33 15.535 -19.829 -12.128 1.00 74.02 C ATOM 329 O ASN A 33 15.902 -20.943 -11.757 1.00 23.41 O ATOM 330 CB ASN A 33 16.884 -20.168 -14.243 1.00 31.55 C ATOM 331 CG ASN A 33 17.279 -19.605 -15.594 1.00 52.25 C ATOM 332 OD1 ASN A 33 16.545 -19.721 -16.567 1.00 34.34 O ATOM 333 ND2 ASN A 33 18.436 -18.993 -15.665 1.00 34.03 N ATOM 0 H ASN A 33 16.630 -17.118 -13.350 1.00 52.21 H new ATOM 0 HA ASN A 33 15.308 -18.786 -13.997 1.00 55.20 H new ATOM 0 HB2 ASN A 33 17.782 -20.489 -13.714 1.00 31.55 H new ATOM 0 HB3 ASN A 33 16.268 -21.055 -14.393 1.00 31.55 H new ATOM 0 HD21 ASN A 33 18.749 -18.596 -16.551 1.00 34.03 H new ATOM 0 HD22 ASN A 33 19.023 -18.914 -14.835 1.00 34.03 H new ATOM 340 N LEU A 34 14.653 -19.114 -11.479 1.00 12.30 N ATOM 341 CA LEU A 34 14.197 -19.465 -10.171 1.00 11.13 C ATOM 342 C LEU A 34 12.730 -19.036 -10.010 1.00 31.11 C ATOM 343 O LEU A 34 12.122 -18.570 -10.958 1.00 74.45 O ATOM 344 CB LEU A 34 15.092 -18.658 -9.242 1.00 24.12 C ATOM 345 CG LEU A 34 15.014 -18.868 -7.764 1.00 72.22 C ATOM 346 CD1 LEU A 34 15.455 -20.274 -7.408 1.00 35.12 C ATOM 347 CD2 LEU A 34 15.889 -17.837 -7.114 1.00 53.20 C ATOM 0 H LEU A 34 14.230 -18.264 -11.853 1.00 12.30 H new ATOM 0 HA LEU A 34 14.245 -20.535 -9.968 1.00 11.13 H new ATOM 0 HB2 LEU A 34 16.123 -18.844 -9.542 1.00 24.12 H new ATOM 0 HB3 LEU A 34 14.890 -17.604 -9.431 1.00 24.12 H new ATOM 0 HG LEU A 34 13.989 -18.758 -7.409 1.00 72.22 H new ATOM 0 HD11 LEU A 34 15.393 -20.412 -6.329 1.00 35.12 H new ATOM 0 HD12 LEU A 34 14.806 -20.996 -7.904 1.00 35.12 H new ATOM 0 HD13 LEU A 34 16.484 -20.426 -7.735 1.00 35.12 H new ATOM 0 HD21 LEU A 34 15.856 -17.962 -6.032 1.00 53.20 H new ATOM 0 HD22 LEU A 34 16.915 -17.959 -7.462 1.00 53.20 H new ATOM 0 HD23 LEU A 34 15.533 -16.841 -7.376 1.00 53.20 H new ATOM 359 N THR A 35 12.165 -19.225 -8.831 1.00 11.04 N ATOM 360 CA THR A 35 10.855 -18.736 -8.528 1.00 51.12 C ATOM 361 C THR A 35 11.007 -17.612 -7.489 1.00 73.32 C ATOM 362 O THR A 35 11.876 -17.704 -6.626 1.00 20.43 O ATOM 363 CB THR A 35 9.930 -19.872 -8.043 1.00 63.44 C ATOM 364 OG1 THR A 35 10.640 -20.719 -7.142 1.00 51.14 O ATOM 365 CG2 THR A 35 9.418 -20.696 -9.219 1.00 31.12 C ATOM 0 H THR A 35 12.613 -19.725 -8.063 1.00 11.04 H new ATOM 0 HA THR A 35 10.378 -18.337 -9.423 1.00 51.12 H new ATOM 0 HB THR A 35 9.076 -19.425 -7.534 1.00 63.44 H new ATOM 0 HG1 THR A 35 10.049 -21.438 -6.835 1.00 51.14 H new ATOM 0 HG21 THR A 35 8.768 -21.490 -8.851 1.00 31.12 H new ATOM 0 HG22 THR A 35 8.857 -20.053 -9.897 1.00 31.12 H new ATOM 0 HG23 THR A 35 10.262 -21.135 -9.751 1.00 31.12 H new ATOM 373 N PRO A 36 10.182 -16.531 -7.580 1.00 64.20 N ATOM 374 CA PRO A 36 10.358 -15.269 -6.809 1.00 64.14 C ATOM 375 C PRO A 36 10.791 -15.370 -5.336 1.00 2.10 C ATOM 376 O PRO A 36 11.637 -14.604 -4.904 1.00 23.33 O ATOM 377 CB PRO A 36 9.024 -14.569 -6.949 1.00 11.23 C ATOM 378 CG PRO A 36 8.498 -15.025 -8.267 1.00 15.32 C ATOM 379 CD PRO A 36 9.000 -16.438 -8.472 1.00 34.32 C ATOM 0 HA PRO A 36 11.213 -14.733 -7.222 1.00 64.14 H new ATOM 0 HB2 PRO A 36 8.348 -14.838 -6.138 1.00 11.23 H new ATOM 0 HB3 PRO A 36 9.140 -13.486 -6.921 1.00 11.23 H new ATOM 0 HG2 PRO A 36 7.408 -14.996 -8.280 1.00 15.32 H new ATOM 0 HG3 PRO A 36 8.843 -14.372 -9.068 1.00 15.32 H new ATOM 0 HD2 PRO A 36 8.241 -17.174 -8.207 1.00 34.32 H new ATOM 0 HD3 PRO A 36 9.270 -16.619 -9.512 1.00 34.32 H new ATOM 387 N GLN A 37 10.225 -16.275 -4.574 1.00 10.13 N ATOM 388 CA GLN A 37 10.601 -16.363 -3.166 1.00 65.14 C ATOM 389 C GLN A 37 11.619 -17.437 -2.850 1.00 43.03 C ATOM 390 O GLN A 37 11.929 -17.672 -1.701 1.00 61.43 O ATOM 391 CB GLN A 37 9.424 -16.358 -2.205 1.00 34.42 C ATOM 392 CG GLN A 37 8.710 -15.020 -2.167 1.00 20.15 C ATOM 393 CD GLN A 37 7.813 -14.876 -0.969 1.00 43.13 C ATOM 394 OE1 GLN A 37 6.640 -15.226 -1.012 1.00 71.32 O ATOM 395 NE2 GLN A 37 8.356 -14.352 0.104 1.00 14.44 N ATOM 0 H GLN A 37 9.522 -16.946 -4.883 1.00 10.13 H new ATOM 0 HA GLN A 37 11.124 -15.423 -2.987 1.00 65.14 H new ATOM 0 HB2 GLN A 37 8.717 -17.135 -2.497 1.00 34.42 H new ATOM 0 HB3 GLN A 37 9.776 -16.607 -1.204 1.00 34.42 H new ATOM 0 HG2 GLN A 37 9.449 -14.218 -2.161 1.00 20.15 H new ATOM 0 HG3 GLN A 37 8.119 -14.902 -3.075 1.00 20.15 H new ATOM 0 HE21 GLN A 37 9.337 -14.075 0.095 1.00 14.44 H new ATOM 0 HE22 GLN A 37 7.797 -14.222 0.947 1.00 14.44 H new ATOM 404 N GLN A 38 12.145 -18.092 -3.869 1.00 42.34 N ATOM 405 CA GLN A 38 13.200 -19.070 -3.646 1.00 41.25 C ATOM 406 C GLN A 38 14.557 -18.397 -3.782 1.00 1.21 C ATOM 407 O GLN A 38 15.594 -19.049 -3.894 1.00 31.33 O ATOM 408 CB GLN A 38 13.066 -20.258 -4.597 1.00 61.33 C ATOM 409 CG GLN A 38 11.840 -21.118 -4.315 1.00 52.23 C ATOM 410 CD GLN A 38 11.880 -21.782 -2.945 1.00 64.23 C ATOM 411 OE1 GLN A 38 12.932 -22.105 -2.426 1.00 2.13 O ATOM 412 NE2 GLN A 38 10.730 -21.984 -2.355 1.00 5.43 N ATOM 0 H GLN A 38 11.867 -17.970 -4.843 1.00 42.34 H new ATOM 0 HA GLN A 38 13.107 -19.464 -2.634 1.00 41.25 H new ATOM 0 HB2 GLN A 38 13.016 -19.891 -5.622 1.00 61.33 H new ATOM 0 HB3 GLN A 38 13.960 -20.877 -4.523 1.00 61.33 H new ATOM 0 HG2 GLN A 38 10.945 -20.500 -4.387 1.00 52.23 H new ATOM 0 HG3 GLN A 38 11.758 -21.887 -5.083 1.00 52.23 H new ATOM 0 HE21 GLN A 38 9.864 -21.702 -2.815 1.00 5.43 H new ATOM 0 HE22 GLN A 38 10.699 -22.423 -1.435 1.00 5.43 H new ATOM 421 N LEU A 39 14.534 -17.080 -3.777 1.00 75.14 N ATOM 422 CA LEU A 39 15.731 -16.311 -3.818 1.00 41.43 C ATOM 423 C LEU A 39 16.059 -15.902 -2.404 1.00 44.23 C ATOM 424 O LEU A 39 15.184 -15.897 -1.542 1.00 71.15 O ATOM 425 CB LEU A 39 15.626 -15.074 -4.800 1.00 33.31 C ATOM 426 CG LEU A 39 14.728 -13.856 -4.427 1.00 43.51 C ATOM 427 CD1 LEU A 39 15.317 -13.042 -3.298 1.00 54.31 C ATOM 428 CD2 LEU A 39 14.547 -12.952 -5.626 1.00 24.30 C ATOM 0 H LEU A 39 13.678 -16.526 -3.744 1.00 75.14 H new ATOM 0 HA LEU A 39 16.543 -16.914 -4.225 1.00 41.43 H new ATOM 0 HB2 LEU A 39 16.637 -14.696 -4.954 1.00 33.31 H new ATOM 0 HB3 LEU A 39 15.277 -15.452 -5.761 1.00 33.31 H new ATOM 0 HG LEU A 39 13.768 -14.258 -4.104 1.00 43.51 H new ATOM 0 HD11 LEU A 39 14.658 -12.204 -3.072 1.00 54.31 H new ATOM 0 HD12 LEU A 39 15.423 -13.670 -2.413 1.00 54.31 H new ATOM 0 HD13 LEU A 39 16.296 -12.664 -3.594 1.00 54.31 H new ATOM 0 HD21 LEU A 39 13.918 -12.105 -5.352 1.00 24.30 H new ATOM 0 HD22 LEU A 39 15.520 -12.589 -5.958 1.00 24.30 H new ATOM 0 HD23 LEU A 39 14.073 -13.510 -6.434 1.00 24.30 H new ATOM 440 N HIS A 40 17.286 -15.564 -2.176 1.00 14.13 N ATOM 441 CA HIS A 40 17.748 -15.136 -0.900 1.00 63.35 C ATOM 442 C HIS A 40 17.277 -13.698 -0.645 1.00 73.31 C ATOM 443 O HIS A 40 17.956 -12.741 -1.014 1.00 21.22 O ATOM 444 CB HIS A 40 19.282 -15.193 -0.895 1.00 72.22 C ATOM 445 CG HIS A 40 19.882 -16.554 -1.160 1.00 50.13 C ATOM 446 ND1 HIS A 40 21.163 -16.735 -1.614 1.00 3.41 N ATOM 447 CD2 HIS A 40 19.356 -17.799 -1.028 1.00 33.44 C ATOM 448 CE1 HIS A 40 21.375 -18.045 -1.754 1.00 5.03 C ATOM 449 NE2 HIS A 40 20.313 -18.737 -1.411 1.00 0.14 N ATOM 0 H HIS A 40 18.012 -15.579 -2.892 1.00 14.13 H new ATOM 0 HA HIS A 40 17.352 -15.782 -0.116 1.00 63.35 H new ATOM 0 HB2 HIS A 40 19.657 -14.497 -1.646 1.00 72.22 H new ATOM 0 HB3 HIS A 40 19.638 -14.840 0.073 1.00 72.22 H new ATOM 0 HD1 HIS A 40 21.838 -15.996 -1.811 1.00 3.41 H new ATOM 0 HD2 HIS A 40 18.358 -18.025 -0.682 1.00 33.44 H new ATOM 0 HE1 HIS A 40 22.300 -18.480 -2.104 1.00 5.03 H new ATOM 457 N GLU A 41 16.079 -13.540 -0.121 1.00 72.31 N ATOM 458 CA GLU A 41 15.574 -12.206 0.139 1.00 14.11 C ATOM 459 C GLU A 41 16.073 -11.723 1.468 1.00 33.32 C ATOM 460 O GLU A 41 16.374 -10.535 1.653 1.00 22.13 O ATOM 461 CB GLU A 41 14.036 -12.091 0.004 1.00 10.13 C ATOM 462 CG GLU A 41 13.190 -13.001 0.890 1.00 21.43 C ATOM 463 CD GLU A 41 11.715 -12.672 0.745 1.00 12.54 C ATOM 464 OE1 GLU A 41 11.274 -11.667 1.335 1.00 53.30 O ATOM 465 OE2 GLU A 41 10.986 -13.345 -0.035 1.00 45.14 O ATOM 0 H GLU A 41 15.447 -14.301 0.129 1.00 72.31 H new ATOM 0 HA GLU A 41 15.966 -11.549 -0.638 1.00 14.11 H new ATOM 0 HB2 GLU A 41 13.754 -11.059 0.213 1.00 10.13 H new ATOM 0 HB3 GLU A 41 13.772 -12.290 -1.035 1.00 10.13 H new ATOM 0 HG2 GLU A 41 13.363 -14.043 0.620 1.00 21.43 H new ATOM 0 HG3 GLU A 41 13.492 -12.887 1.931 1.00 21.43 H new ATOM 472 N GLU A 42 16.208 -12.656 2.349 1.00 74.22 N ATOM 473 CA GLU A 42 16.728 -12.463 3.667 1.00 25.54 C ATOM 474 C GLU A 42 18.194 -12.886 3.704 1.00 41.33 C ATOM 475 O GLU A 42 18.986 -12.375 4.496 1.00 14.24 O ATOM 476 CB GLU A 42 15.876 -13.248 4.708 1.00 54.45 C ATOM 477 CG GLU A 42 15.194 -14.548 4.190 1.00 11.13 C ATOM 478 CD GLU A 42 16.136 -15.505 3.485 1.00 25.53 C ATOM 479 OE1 GLU A 42 16.743 -16.346 4.144 1.00 53.15 O ATOM 480 OE2 GLU A 42 16.315 -15.354 2.243 1.00 65.32 O ATOM 0 H GLU A 42 15.946 -13.624 2.163 1.00 74.22 H new ATOM 0 HA GLU A 42 16.671 -11.407 3.931 1.00 25.54 H new ATOM 0 HB2 GLU A 42 16.517 -13.508 5.550 1.00 54.45 H new ATOM 0 HB3 GLU A 42 15.102 -12.583 5.090 1.00 54.45 H new ATOM 0 HG2 GLU A 42 14.733 -15.064 5.032 1.00 11.13 H new ATOM 0 HG3 GLU A 42 14.391 -14.276 3.505 1.00 11.13 H new ATOM 487 N SER A 43 18.536 -13.793 2.818 1.00 50.20 N ATOM 488 CA SER A 43 19.846 -14.313 2.714 1.00 43.21 C ATOM 489 C SER A 43 20.688 -13.512 1.713 1.00 62.24 C ATOM 490 O SER A 43 20.172 -12.675 0.968 1.00 54.54 O ATOM 491 CB SER A 43 19.768 -15.792 2.344 1.00 61.45 C ATOM 492 OG SER A 43 19.308 -16.576 3.431 1.00 21.23 O ATOM 0 H SER A 43 17.883 -14.188 2.141 1.00 50.20 H new ATOM 0 HA SER A 43 20.349 -14.221 3.677 1.00 43.21 H new ATOM 0 HB2 SER A 43 19.099 -15.920 1.493 1.00 61.45 H new ATOM 0 HB3 SER A 43 20.752 -16.142 2.032 1.00 61.45 H new ATOM 0 HG SER A 43 18.333 -16.662 3.383 1.00 21.23 H new ATOM 498 N ASN A 44 21.976 -13.767 1.723 1.00 34.20 N ATOM 499 CA ASN A 44 22.942 -13.078 0.873 1.00 61.34 C ATOM 500 C ASN A 44 22.694 -13.333 -0.620 1.00 22.35 C ATOM 501 O ASN A 44 22.686 -14.475 -1.078 1.00 14.04 O ATOM 502 CB ASN A 44 24.365 -13.508 1.271 1.00 33.32 C ATOM 503 CG ASN A 44 25.453 -12.922 0.391 1.00 34.01 C ATOM 504 OD1 ASN A 44 25.316 -11.839 -0.159 1.00 30.12 O ATOM 505 ND2 ASN A 44 26.540 -13.642 0.248 1.00 22.33 N ATOM 0 H ASN A 44 22.398 -14.470 2.330 1.00 34.20 H new ATOM 0 HA ASN A 44 22.824 -12.005 1.027 1.00 61.34 H new ATOM 0 HB2 ASN A 44 24.548 -13.212 2.304 1.00 33.32 H new ATOM 0 HB3 ASN A 44 24.429 -14.596 1.235 1.00 33.32 H new ATOM 0 HD21 ASN A 44 27.304 -13.302 -0.337 1.00 22.33 H new ATOM 0 HD22 ASN A 44 26.622 -14.542 0.721 1.00 22.33 H new ATOM 512 N LEU A 45 22.534 -12.263 -1.374 1.00 4.23 N ATOM 513 CA LEU A 45 22.292 -12.351 -2.798 1.00 5.23 C ATOM 514 C LEU A 45 23.554 -12.733 -3.551 1.00 75.23 C ATOM 515 O LEU A 45 23.486 -13.337 -4.603 1.00 2.01 O ATOM 516 CB LEU A 45 21.698 -11.050 -3.353 1.00 1.11 C ATOM 517 CG LEU A 45 20.239 -10.751 -2.998 1.00 50.01 C ATOM 518 CD1 LEU A 45 19.862 -9.354 -3.463 1.00 35.45 C ATOM 519 CD2 LEU A 45 19.321 -11.768 -3.662 1.00 12.32 C ATOM 0 H LEU A 45 22.568 -11.309 -1.015 1.00 4.23 H new ATOM 0 HA LEU A 45 21.557 -13.141 -2.950 1.00 5.23 H new ATOM 0 HB2 LEU A 45 22.310 -10.220 -3.001 1.00 1.11 H new ATOM 0 HB3 LEU A 45 21.786 -11.073 -4.439 1.00 1.11 H new ATOM 0 HG LEU A 45 20.126 -10.813 -1.916 1.00 50.01 H new ATOM 0 HD11 LEU A 45 18.822 -9.153 -3.205 1.00 35.45 H new ATOM 0 HD12 LEU A 45 20.505 -8.622 -2.975 1.00 35.45 H new ATOM 0 HD13 LEU A 45 19.988 -9.284 -4.543 1.00 35.45 H new ATOM 0 HD21 LEU A 45 18.285 -11.547 -3.403 1.00 12.32 H new ATOM 0 HD22 LEU A 45 19.444 -11.717 -4.744 1.00 12.32 H new ATOM 0 HD23 LEU A 45 19.576 -12.769 -3.315 1.00 12.32 H new ATOM 531 N ILE A 46 24.706 -12.433 -2.963 1.00 14.45 N ATOM 532 CA ILE A 46 26.010 -12.758 -3.566 1.00 2.21 C ATOM 533 C ILE A 46 26.253 -14.294 -3.449 1.00 11.15 C ATOM 534 O ILE A 46 27.165 -14.855 -4.029 1.00 54.22 O ATOM 535 CB ILE A 46 27.161 -11.962 -2.838 1.00 21.14 C ATOM 536 CG1 ILE A 46 26.887 -10.442 -2.833 1.00 60.55 C ATOM 537 CG2 ILE A 46 28.521 -12.228 -3.452 1.00 42.23 C ATOM 538 CD1 ILE A 46 26.835 -9.786 -4.199 1.00 12.31 C ATOM 0 H ILE A 46 24.772 -11.961 -2.061 1.00 14.45 H new ATOM 0 HA ILE A 46 26.010 -12.469 -4.617 1.00 2.21 H new ATOM 0 HB ILE A 46 27.173 -12.324 -1.810 1.00 21.14 H new ATOM 0 HG12 ILE A 46 25.939 -10.263 -2.326 1.00 60.55 H new ATOM 0 HG13 ILE A 46 27.662 -9.952 -2.243 1.00 60.55 H new ATOM 0 HG21 ILE A 46 29.280 -11.658 -2.916 1.00 42.23 H new ATOM 0 HG22 ILE A 46 28.750 -13.291 -3.382 1.00 42.23 H new ATOM 0 HG23 ILE A 46 28.513 -11.927 -4.499 1.00 42.23 H new ATOM 0 HD11 ILE A 46 26.637 -8.720 -4.084 1.00 12.31 H new ATOM 0 HD12 ILE A 46 27.790 -9.925 -4.706 1.00 12.31 H new ATOM 0 HD13 ILE A 46 26.040 -10.240 -4.791 1.00 12.31 H new ATOM 550 N GLN A 47 25.390 -14.943 -2.686 1.00 21.34 N ATOM 551 CA GLN A 47 25.434 -16.365 -2.477 1.00 65.10 C ATOM 552 C GLN A 47 24.584 -17.065 -3.566 1.00 40.32 C ATOM 553 O GLN A 47 24.547 -18.287 -3.675 1.00 35.33 O ATOM 554 CB GLN A 47 24.900 -16.638 -1.085 1.00 74.14 C ATOM 555 CG GLN A 47 24.962 -18.063 -0.626 1.00 23.14 C ATOM 556 CD GLN A 47 24.367 -18.229 0.755 1.00 13.32 C ATOM 557 OE1 GLN A 47 24.422 -17.320 1.580 1.00 20.30 O ATOM 558 NE2 GLN A 47 23.777 -19.366 1.011 1.00 75.24 N ATOM 0 H GLN A 47 24.629 -14.481 -2.189 1.00 21.34 H new ATOM 0 HA GLN A 47 26.449 -16.754 -2.553 1.00 65.10 H new ATOM 0 HB2 GLN A 47 25.457 -16.024 -0.377 1.00 74.14 H new ATOM 0 HB3 GLN A 47 23.862 -16.309 -1.045 1.00 74.14 H new ATOM 0 HG2 GLN A 47 24.426 -18.697 -1.332 1.00 23.14 H new ATOM 0 HG3 GLN A 47 25.999 -18.399 -0.619 1.00 23.14 H new ATOM 0 HE21 GLN A 47 23.751 -20.098 0.301 1.00 75.24 H new ATOM 0 HE22 GLN A 47 23.342 -19.522 1.921 1.00 75.24 H new ATOM 567 N ALA A 48 23.890 -16.257 -4.338 1.00 44.33 N ATOM 568 CA ALA A 48 23.095 -16.712 -5.456 1.00 42.53 C ATOM 569 C ALA A 48 23.869 -16.357 -6.715 1.00 20.31 C ATOM 570 O ALA A 48 24.982 -15.840 -6.606 1.00 10.03 O ATOM 571 CB ALA A 48 21.724 -16.038 -5.447 1.00 72.42 C ATOM 0 H ALA A 48 23.863 -15.246 -4.203 1.00 44.33 H new ATOM 0 HA ALA A 48 22.919 -17.786 -5.403 1.00 42.53 H new ATOM 0 HB1 ALA A 48 21.139 -16.392 -6.296 1.00 72.42 H new ATOM 0 HB2 ALA A 48 21.204 -16.283 -4.521 1.00 72.42 H new ATOM 0 HB3 ALA A 48 21.849 -14.958 -5.518 1.00 72.42 H new ATOM 577 N GLY A 49 23.328 -16.631 -7.900 1.00 70.24 N ATOM 578 CA GLY A 49 24.073 -16.287 -9.097 1.00 15.12 C ATOM 579 C GLY A 49 24.002 -14.800 -9.368 1.00 10.02 C ATOM 580 O GLY A 49 23.176 -14.329 -10.139 1.00 2.33 O ATOM 0 H GLY A 49 22.419 -17.069 -8.051 1.00 70.24 H new ATOM 0 HA2 GLY A 49 25.114 -16.591 -8.982 1.00 15.12 H new ATOM 0 HA3 GLY A 49 23.673 -16.836 -9.950 1.00 15.12 H new ATOM 584 N LEU A 50 24.894 -14.094 -8.770 1.00 75.33 N ATOM 585 CA LEU A 50 24.976 -12.700 -8.849 1.00 42.23 C ATOM 586 C LEU A 50 26.459 -12.342 -8.945 1.00 21.12 C ATOM 587 O LEU A 50 27.306 -13.083 -8.440 1.00 32.21 O ATOM 588 CB LEU A 50 24.324 -12.128 -7.584 1.00 52.52 C ATOM 589 CG LEU A 50 24.261 -10.625 -7.474 1.00 33.33 C ATOM 590 CD1 LEU A 50 23.381 -10.065 -8.556 1.00 14.13 C ATOM 591 CD2 LEU A 50 23.742 -10.195 -6.131 1.00 1.31 C ATOM 0 H LEU A 50 25.620 -14.506 -8.184 1.00 75.33 H new ATOM 0 HA LEU A 50 24.461 -12.287 -9.716 1.00 42.23 H new ATOM 0 HB2 LEU A 50 23.308 -12.517 -7.520 1.00 52.52 H new ATOM 0 HB3 LEU A 50 24.867 -12.510 -6.719 1.00 52.52 H new ATOM 0 HG LEU A 50 25.274 -10.240 -7.589 1.00 33.33 H new ATOM 0 HD11 LEU A 50 23.342 -8.979 -8.468 1.00 14.13 H new ATOM 0 HD12 LEU A 50 23.786 -10.336 -9.531 1.00 14.13 H new ATOM 0 HD13 LEU A 50 22.375 -10.473 -8.455 1.00 14.13 H new ATOM 0 HD21 LEU A 50 23.709 -9.106 -6.085 1.00 1.31 H new ATOM 0 HD22 LEU A 50 22.739 -10.595 -5.984 1.00 1.31 H new ATOM 0 HD23 LEU A 50 24.401 -10.571 -5.349 1.00 1.31 H new ATOM 603 N ASP A 51 26.754 -11.254 -9.600 1.00 64.04 N ATOM 604 CA ASP A 51 28.113 -10.845 -9.887 1.00 71.13 C ATOM 605 C ASP A 51 28.331 -9.384 -9.493 1.00 31.43 C ATOM 606 O ASP A 51 27.952 -8.968 -8.413 1.00 5.55 O ATOM 607 CB ASP A 51 28.416 -11.076 -11.397 1.00 11.30 C ATOM 608 CG ASP A 51 27.332 -10.544 -12.346 1.00 51.44 C ATOM 609 OD1 ASP A 51 26.795 -9.433 -12.146 1.00 71.23 O ATOM 610 OD2 ASP A 51 26.948 -11.283 -13.266 1.00 55.23 O ATOM 0 H ASP A 51 26.049 -10.611 -9.959 1.00 64.04 H new ATOM 0 HA ASP A 51 28.804 -11.448 -9.297 1.00 71.13 H new ATOM 0 HB2 ASP A 51 29.364 -10.598 -11.643 1.00 11.30 H new ATOM 0 HB3 ASP A 51 28.543 -12.145 -11.571 1.00 11.30 H new HETATM 615 N 4HJ A 52 28.936 -8.636 -10.364 1.00 44.14 N HETATM 616 CA 4HJ A 52 29.205 -7.277 -10.178 1.00 42.13 C HETATM 617 CAA 4HJ A 52 30.964 -9.722 -7.413 1.00 4.44 C HETATM 618 C 4HJ A 52 28.174 -6.488 -10.913 1.00 45.35 C HETATM 619 O 4HJ A 52 27.123 -6.292 -10.408 1.00 44.34 O HETATM 620 CB 4HJ A 52 30.617 -6.902 -10.675 1.00 12.35 C HETATM 621 OG 4HJ A 52 30.881 -7.189 -12.029 1.00 51.25 O HETATM 622 CZ1 4HJ A 52 30.678 -10.241 -6.174 1.00 11.11 C HETATM 623 CZ2 4HJ A 52 31.575 -8.492 -7.530 1.00 2.50 C HETATM 624 OZ 4HJ A 52 30.767 -10.037 -3.786 1.00 64.42 O HETATM 625 CJ 4HJ A 52 32.070 -3.927 -11.563 1.00 33.12 C HETATM 626 CK 4HJ A 52 32.765 -3.348 -10.303 1.00 44.33 C HETATM 627 CL1 4HJ A 52 32.542 -4.396 -9.208 1.00 62.22 C HETATM 628 CL2 4HJ A 52 32.037 -2.046 -9.949 1.00 62.33 C HETATM 629 CM 4HJ A 52 35.353 -2.878 -9.537 1.00 44.11 C HETATM 630 OM 4HJ A 52 34.370 -1.970 -11.493 1.00 4.14 O HETATM 631 NN 4HJ A 52 35.085 -3.148 -8.259 1.00 1.23 N HETATM 632 ON 4HJ A 52 36.455 -2.466 -9.874 1.00 41.24 O HETATM 633 P 4HJ A 52 31.846 -6.154 -12.775 1.00 34.33 P HETATM 634 O1P 4HJ A 52 30.998 -5.329 -13.660 1.00 60.20 O HETATM 635 O2P 4HJ A 52 32.846 -6.921 -13.533 1.00 32.25 O HETATM 636 O3P 4HJ A 52 32.511 -5.310 -11.735 1.00 60.50 O HETATM 637 CX 4HJ A 52 31.634 -8.241 -5.148 1.00 23.34 C HETATM 638 CL3 4HJ A 52 34.288 -3.108 -10.675 1.00 32.44 C HETATM 639 CO 4HJ A 52 34.539 -2.192 -7.251 1.00 54.34 C HETATM 640 CP 4HJ A 52 33.769 -2.919 -6.140 1.00 14.41 C HETATM 641 CQ 4HJ A 52 33.707 -2.165 -4.814 1.00 32.54 C HETATM 642 CS 4HJ A 52 32.417 -3.400 -3.128 1.00 72.54 C HETATM 643 CT 4HJ A 52 32.412 -4.902 -2.864 1.00 3.24 C HETATM 644 CV 4HJ A 52 31.970 -7.385 -3.967 1.00 4.30 C HETATM 645 CY1 4HJ A 52 31.024 -9.515 -5.016 1.00 32.14 C HETATM 646 CY2 4HJ A 52 31.914 -7.761 -6.419 1.00 31.24 C HETATM 647 NR 4HJ A 52 33.661 -2.940 -3.739 1.00 3.10 N HETATM 648 OR 4HJ A 52 33.715 -0.946 -4.762 1.00 43.13 O HETATM 649 OW 4HJ A 52 31.767 -7.721 -2.793 1.00 74.15 O HETATM 650 SU 4HJ A 52 32.675 -5.823 -4.393 1.00 62.51 S ATOM 680 N ILE A 53 28.365 -6.514 -12.222 1.00 55.22 N ATOM 681 CA ILE A 53 27.603 -5.867 -13.274 1.00 32.14 C ATOM 682 C ILE A 53 26.060 -5.912 -13.040 1.00 63.21 C ATOM 683 O ILE A 53 25.353 -4.932 -13.368 1.00 25.45 O ATOM 684 CB ILE A 53 28.027 -6.502 -14.655 1.00 53.20 C ATOM 685 CG1 ILE A 53 27.833 -5.558 -15.845 1.00 65.22 C ATOM 686 CG2 ILE A 53 27.375 -7.857 -14.923 1.00 52.13 C ATOM 687 CD1 ILE A 53 26.400 -5.202 -16.218 1.00 70.24 C ATOM 0 H ILE A 53 29.142 -7.047 -12.614 1.00 55.22 H new ATOM 0 HA ILE A 53 27.839 -4.803 -13.274 1.00 32.14 H new ATOM 0 HB ILE A 53 29.099 -6.674 -14.554 1.00 53.20 H new ATOM 0 HG12 ILE A 53 28.368 -4.632 -15.634 1.00 65.22 H new ATOM 0 HG13 ILE A 53 28.308 -6.009 -16.716 1.00 65.22 H new ATOM 0 HG21 ILE A 53 27.709 -8.237 -15.888 1.00 52.13 H new ATOM 0 HG22 ILE A 53 27.659 -8.559 -14.139 1.00 52.13 H new ATOM 0 HG23 ILE A 53 26.291 -7.743 -14.934 1.00 52.13 H new ATOM 0 HD11 ILE A 53 26.404 -4.528 -17.075 1.00 70.24 H new ATOM 0 HD12 ILE A 53 25.854 -6.110 -16.473 1.00 70.24 H new ATOM 0 HD13 ILE A 53 25.915 -4.712 -15.374 1.00 70.24 H new ATOM 699 N ARG A 54 25.530 -7.019 -12.481 1.00 43.13 N ATOM 700 CA ARG A 54 24.126 -7.066 -12.088 1.00 30.40 C ATOM 701 C ARG A 54 23.818 -5.888 -11.170 1.00 2.10 C ATOM 702 O ARG A 54 22.890 -5.129 -11.433 1.00 74.51 O ATOM 703 CB ARG A 54 23.771 -8.351 -11.346 1.00 2.14 C ATOM 704 CG ARG A 54 23.077 -9.446 -12.155 1.00 44.31 C ATOM 705 CD ARG A 54 23.981 -10.158 -13.140 1.00 21.02 C ATOM 706 NE ARG A 54 23.228 -11.198 -13.863 1.00 61.31 N ATOM 707 CZ ARG A 54 23.700 -12.387 -14.252 1.00 62.32 C ATOM 708 NH1 ARG A 54 24.982 -12.688 -14.116 1.00 62.52 N ATOM 709 NH2 ARG A 54 22.869 -13.262 -14.812 1.00 14.43 N ATOM 0 H ARG A 54 26.052 -7.876 -12.298 1.00 43.13 H new ATOM 0 HA ARG A 54 23.536 -7.024 -13.004 1.00 30.40 H new ATOM 0 HB2 ARG A 54 24.688 -8.767 -10.929 1.00 2.14 H new ATOM 0 HB3 ARG A 54 23.128 -8.091 -10.505 1.00 2.14 H new ATOM 0 HG2 ARG A 54 22.658 -10.180 -11.467 1.00 44.31 H new ATOM 0 HG3 ARG A 54 22.241 -9.006 -12.699 1.00 44.31 H new ATOM 0 HD2 ARG A 54 24.396 -9.441 -13.848 1.00 21.02 H new ATOM 0 HD3 ARG A 54 24.822 -10.608 -12.613 1.00 21.02 H new ATOM 0 HE ARG A 54 22.255 -10.991 -14.088 1.00 61.31 H new ATOM 0 HH11 ARG A 54 25.625 -12.009 -13.710 1.00 62.52 H new ATOM 0 HH12 ARG A 54 25.327 -13.599 -14.418 1.00 62.52 H new ATOM 0 HH21 ARG A 54 21.886 -13.022 -14.940 1.00 14.43 H new ATOM 0 HH22 ARG A 54 23.215 -14.173 -15.114 1.00 14.43 H new ATOM 723 N LEU A 55 24.673 -5.695 -10.157 1.00 1.32 N ATOM 724 CA LEU A 55 24.531 -4.625 -9.161 1.00 64.12 C ATOM 725 C LEU A 55 24.518 -3.288 -9.862 1.00 51.45 C ATOM 726 O LEU A 55 23.644 -2.472 -9.631 1.00 25.12 O ATOM 727 CB LEU A 55 25.709 -4.616 -8.141 1.00 71.12 C ATOM 728 CG LEU A 55 25.759 -5.638 -6.981 1.00 64.41 C ATOM 729 CD1 LEU A 55 24.649 -5.422 -5.999 1.00 30.44 C ATOM 730 CD2 LEU A 55 25.776 -7.065 -7.457 1.00 71.25 C ATOM 0 H LEU A 55 25.492 -6.284 -10.004 1.00 1.32 H new ATOM 0 HA LEU A 55 23.600 -4.805 -8.623 1.00 64.12 H new ATOM 0 HB2 LEU A 55 26.629 -4.735 -8.713 1.00 71.12 H new ATOM 0 HB3 LEU A 55 25.738 -3.622 -7.694 1.00 71.12 H new ATOM 0 HG LEU A 55 26.706 -5.460 -6.471 1.00 64.41 H new ATOM 0 HD11 LEU A 55 24.721 -6.161 -5.201 1.00 30.44 H new ATOM 0 HD12 LEU A 55 24.728 -4.421 -5.575 1.00 30.44 H new ATOM 0 HD13 LEU A 55 23.690 -5.527 -6.505 1.00 30.44 H new ATOM 0 HD21 LEU A 55 25.811 -7.735 -6.598 1.00 71.25 H new ATOM 0 HD22 LEU A 55 24.875 -7.266 -8.037 1.00 71.25 H new ATOM 0 HD23 LEU A 55 26.654 -7.230 -8.082 1.00 71.25 H new ATOM 742 N MET A 56 25.480 -3.099 -10.762 1.00 14.33 N ATOM 743 CA MET A 56 25.645 -1.843 -11.508 1.00 23.32 C ATOM 744 C MET A 56 24.389 -1.497 -12.307 1.00 64.33 C ATOM 745 O MET A 56 24.088 -0.318 -12.533 1.00 42.14 O ATOM 746 CB MET A 56 26.875 -1.892 -12.430 1.00 64.13 C ATOM 747 CG MET A 56 28.270 -1.818 -11.757 1.00 61.24 C ATOM 748 SD MET A 56 28.595 -3.068 -10.476 1.00 52.43 S ATOM 749 CE MET A 56 28.020 -2.250 -8.981 1.00 2.44 C ATOM 0 H MET A 56 26.171 -3.811 -10.999 1.00 14.33 H new ATOM 0 HA MET A 56 25.806 -1.054 -10.773 1.00 23.32 H new ATOM 0 HB2 MET A 56 26.827 -2.815 -13.008 1.00 64.13 H new ATOM 0 HB3 MET A 56 26.798 -1.068 -13.139 1.00 64.13 H new ATOM 0 HG2 MET A 56 29.032 -1.911 -12.531 1.00 61.24 H new ATOM 0 HG3 MET A 56 28.387 -0.830 -11.312 1.00 61.24 H new ATOM 0 HE1 MET A 56 27.947 -2.978 -8.173 1.00 2.44 H new ATOM 0 HE2 MET A 56 28.725 -1.467 -8.701 1.00 2.44 H new ATOM 0 HE3 MET A 56 27.040 -1.809 -9.162 1.00 2.44 H new ATOM 759 N ARG A 57 23.670 -2.520 -12.729 1.00 13.34 N ATOM 760 CA ARG A 57 22.401 -2.343 -13.377 1.00 10.53 C ATOM 761 C ARG A 57 21.350 -1.882 -12.415 1.00 20.10 C ATOM 762 O ARG A 57 20.688 -0.879 -12.660 1.00 24.10 O ATOM 763 CB ARG A 57 21.971 -3.585 -14.057 1.00 0.00 C ATOM 764 CG ARG A 57 22.667 -3.748 -15.364 1.00 50.34 C ATOM 765 CD ARG A 57 22.057 -4.850 -16.109 1.00 22.43 C ATOM 766 NE ARG A 57 22.499 -6.166 -15.638 1.00 54.05 N ATOM 767 CZ ARG A 57 21.699 -7.228 -15.451 1.00 23.42 C ATOM 768 NH1 ARG A 57 20.377 -7.094 -15.445 1.00 2.04 N ATOM 769 NH2 ARG A 57 22.227 -8.414 -15.236 1.00 42.54 N ATOM 0 H ARG A 57 23.956 -3.494 -12.628 1.00 13.34 H new ATOM 0 HA ARG A 57 22.530 -1.566 -14.130 1.00 10.53 H new ATOM 0 HB2 ARG A 57 22.181 -4.444 -13.420 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.893 -3.562 -14.216 1.00 0.00 H new ATOM 0 HG2 ARG A 57 22.601 -2.825 -15.940 1.00 50.34 H new ATOM 0 HG3 ARG A 57 23.726 -3.947 -15.201 1.00 50.34 H new ATOM 0 HD2 ARG A 57 20.972 -4.784 -16.024 1.00 22.43 H new ATOM 0 HD3 ARG A 57 22.301 -4.747 -17.166 1.00 22.43 H new ATOM 0 HE ARG A 57 23.492 -6.284 -15.437 1.00 54.05 H new ATOM 0 HH11 ARG A 57 19.957 -6.175 -15.584 1.00 2.04 H new ATOM 0 HH12 ARG A 57 19.782 -7.910 -15.302 1.00 2.04 H new ATOM 0 HH21 ARG A 57 23.241 -8.524 -15.212 1.00 42.54 H new ATOM 0 HH22 ARG A 57 21.623 -9.223 -15.093 1.00 42.54 H new ATOM 783 N TRP A 58 21.238 -2.597 -11.297 1.00 25.42 N ATOM 784 CA TRP A 58 20.289 -2.275 -10.227 1.00 74.12 C ATOM 785 C TRP A 58 20.420 -0.849 -9.797 1.00 34.34 C ATOM 786 O TRP A 58 19.424 -0.126 -9.751 1.00 51.35 O ATOM 787 CB TRP A 58 20.421 -3.282 -9.074 1.00 62.12 C ATOM 788 CG TRP A 58 20.183 -4.667 -9.585 1.00 75.44 C ATOM 789 CD1 TRP A 58 20.935 -5.766 -9.345 1.00 55.23 C ATOM 790 CD2 TRP A 58 19.136 -5.079 -10.494 1.00 35.25 C ATOM 791 NE1 TRP A 58 20.456 -6.832 -10.075 1.00 23.10 N ATOM 792 CE2 TRP A 58 19.346 -6.427 -10.778 1.00 44.30 C ATOM 793 CE3 TRP A 58 18.040 -4.427 -11.099 1.00 31.01 C ATOM 794 CZ2 TRP A 58 18.521 -7.133 -11.644 1.00 54.41 C ATOM 795 CZ3 TRP A 58 17.229 -5.136 -11.939 1.00 32.43 C ATOM 796 CH2 TRP A 58 17.476 -6.471 -12.207 1.00 44.03 C ATOM 0 H TRP A 58 21.806 -3.422 -11.105 1.00 25.42 H new ATOM 0 HA TRP A 58 19.273 -2.372 -10.609 1.00 74.12 H new ATOM 0 HB2 TRP A 58 21.414 -3.213 -8.630 1.00 62.12 H new ATOM 0 HB3 TRP A 58 19.704 -3.046 -8.288 1.00 62.12 H new ATOM 0 HD1 TRP A 58 21.785 -5.802 -8.680 1.00 55.23 H new ATOM 0 HE1 TRP A 58 20.859 -7.769 -10.091 1.00 23.10 H new ATOM 0 HE3 TRP A 58 17.846 -3.383 -10.901 1.00 31.01 H new ATOM 0 HZ2 TRP A 58 18.704 -8.175 -11.863 1.00 54.41 H new ATOM 0 HZ3 TRP A 58 16.383 -4.648 -12.400 1.00 32.43 H new ATOM 0 HH2 TRP A 58 16.821 -7.001 -12.882 1.00 44.03 H new ATOM 807 N LEU A 59 21.657 -0.421 -9.608 1.00 65.51 N ATOM 808 CA LEU A 59 21.998 0.952 -9.232 1.00 1.22 C ATOM 809 C LEU A 59 21.247 1.992 -10.026 1.00 14.21 C ATOM 810 O LEU A 59 20.472 2.769 -9.473 1.00 72.43 O ATOM 811 CB LEU A 59 23.492 1.204 -9.429 1.00 54.11 C ATOM 812 CG LEU A 59 24.387 1.046 -8.221 1.00 25.12 C ATOM 813 CD1 LEU A 59 24.056 2.112 -7.197 1.00 11.10 C ATOM 814 CD2 LEU A 59 24.246 -0.330 -7.624 1.00 51.20 C ATOM 0 H LEU A 59 22.472 -1.025 -9.712 1.00 65.51 H new ATOM 0 HA LEU A 59 21.714 1.048 -8.184 1.00 1.22 H new ATOM 0 HB2 LEU A 59 23.849 0.526 -10.204 1.00 54.11 H new ATOM 0 HB3 LEU A 59 23.616 2.218 -9.810 1.00 54.11 H new ATOM 0 HG LEU A 59 25.424 1.167 -8.534 1.00 25.12 H new ATOM 0 HD11 LEU A 59 24.703 1.995 -6.328 1.00 11.10 H new ATOM 0 HD12 LEU A 59 24.211 3.098 -7.635 1.00 11.10 H new ATOM 0 HD13 LEU A 59 23.015 2.011 -6.890 1.00 11.10 H new ATOM 0 HD21 LEU A 59 24.900 -0.419 -6.756 1.00 51.20 H new ATOM 0 HD22 LEU A 59 23.212 -0.489 -7.317 1.00 51.20 H new ATOM 0 HD23 LEU A 59 24.524 -1.079 -8.366 1.00 51.20 H new ATOM 826 N HIS A 60 21.430 1.972 -11.318 1.00 62.11 N ATOM 827 CA HIS A 60 20.904 3.020 -12.146 1.00 2.41 C ATOM 828 C HIS A 60 19.425 2.807 -12.464 1.00 11.10 C ATOM 829 O HIS A 60 18.694 3.755 -12.756 1.00 1.45 O ATOM 830 CB HIS A 60 21.779 3.223 -13.393 1.00 31.41 C ATOM 831 CG HIS A 60 21.742 2.123 -14.438 1.00 30.32 C ATOM 832 ND1 HIS A 60 22.668 1.105 -14.527 1.00 32.04 N ATOM 833 CD2 HIS A 60 20.894 1.940 -15.482 1.00 31.42 C ATOM 834 CE1 HIS A 60 22.365 0.367 -15.598 1.00 14.31 C ATOM 835 NE2 HIS A 60 21.298 0.827 -16.211 1.00 51.45 N ATOM 0 H HIS A 60 21.938 1.243 -11.818 1.00 62.11 H new ATOM 0 HA HIS A 60 20.945 3.954 -11.585 1.00 2.41 H new ATOM 0 HB2 HIS A 60 21.480 4.156 -13.870 1.00 31.41 H new ATOM 0 HB3 HIS A 60 22.812 3.348 -13.067 1.00 31.41 H new ATOM 0 HD1 HIS A 60 23.447 0.944 -13.888 1.00 32.04 H new ATOM 0 HD2 HIS A 60 20.040 2.561 -15.710 1.00 31.42 H new ATOM 0 HE1 HIS A 60 22.926 -0.498 -15.919 1.00 14.31 H new ATOM 843 N TRP A 61 19.003 1.574 -12.333 1.00 15.11 N ATOM 844 CA TRP A 61 17.638 1.153 -12.565 1.00 14.32 C ATOM 845 C TRP A 61 16.715 1.820 -11.529 1.00 33.51 C ATOM 846 O TRP A 61 15.652 2.367 -11.866 1.00 51.52 O ATOM 847 CB TRP A 61 17.617 -0.363 -12.443 1.00 63.31 C ATOM 848 CG TRP A 61 16.350 -1.017 -12.846 1.00 22.34 C ATOM 849 CD1 TRP A 61 15.873 -1.158 -14.112 1.00 53.24 C ATOM 850 CD2 TRP A 61 15.420 -1.660 -11.990 1.00 24.44 C ATOM 851 NE1 TRP A 61 14.688 -1.841 -14.090 1.00 70.33 N ATOM 852 CE2 TRP A 61 14.390 -2.162 -12.795 1.00 72.42 C ATOM 853 CE3 TRP A 61 15.357 -1.856 -10.616 1.00 52.24 C ATOM 854 CZ2 TRP A 61 13.313 -2.849 -12.272 1.00 44.33 C ATOM 855 CZ3 TRP A 61 14.287 -2.538 -10.098 1.00 23.25 C ATOM 856 CH2 TRP A 61 13.278 -3.028 -10.927 1.00 21.41 C ATOM 0 H TRP A 61 19.617 0.809 -12.053 1.00 15.11 H new ATOM 0 HA TRP A 61 17.282 1.447 -13.552 1.00 14.32 H new ATOM 0 HB2 TRP A 61 18.425 -0.770 -13.050 1.00 63.31 H new ATOM 0 HB3 TRP A 61 17.830 -0.630 -11.408 1.00 63.31 H new ATOM 0 HD1 TRP A 61 16.358 -0.786 -15.002 1.00 53.24 H new ATOM 0 HE1 TRP A 61 14.120 -2.073 -14.905 1.00 70.33 H new ATOM 0 HE3 TRP A 61 16.135 -1.479 -9.969 1.00 52.24 H new ATOM 0 HZ2 TRP A 61 12.528 -3.230 -12.909 1.00 44.33 H new ATOM 0 HZ3 TRP A 61 14.224 -2.698 -9.032 1.00 23.25 H new ATOM 0 HH2 TRP A 61 12.449 -3.563 -10.488 1.00 21.41 H new ATOM 867 N PHE A 62 17.111 1.747 -10.280 1.00 53.30 N ATOM 868 CA PHE A 62 16.439 2.465 -9.217 1.00 62.11 C ATOM 869 C PHE A 62 16.854 3.901 -9.037 1.00 44.11 C ATOM 870 O PHE A 62 16.125 4.670 -8.460 1.00 65.15 O ATOM 871 CB PHE A 62 16.098 1.678 -7.946 1.00 72.20 C ATOM 872 CG PHE A 62 17.069 0.682 -7.552 1.00 55.52 C ATOM 873 CD1 PHE A 62 18.311 1.034 -7.081 1.00 64.15 C ATOM 874 CD2 PHE A 62 16.734 -0.639 -7.674 1.00 15.42 C ATOM 875 CE1 PHE A 62 19.214 0.044 -6.755 1.00 61.13 C ATOM 876 CE2 PHE A 62 17.599 -1.613 -7.347 1.00 1.02 C ATOM 877 CZ PHE A 62 18.845 -1.288 -6.893 1.00 22.12 C ATOM 0 H PHE A 62 17.907 1.190 -9.970 1.00 53.30 H new ATOM 0 HA PHE A 62 15.437 2.572 -9.632 1.00 62.11 H new ATOM 0 HB2 PHE A 62 15.974 2.384 -7.125 1.00 72.20 H new ATOM 0 HB3 PHE A 62 15.137 1.186 -8.091 1.00 72.20 H new ATOM 0 HD1 PHE A 62 18.577 2.075 -6.967 1.00 64.15 H new ATOM 0 HD2 PHE A 62 15.753 -0.904 -8.041 1.00 15.42 H new ATOM 0 HE1 PHE A 62 20.199 0.302 -6.396 1.00 61.13 H new ATOM 0 HE2 PHE A 62 17.310 -2.649 -7.443 1.00 1.02 H new ATOM 0 HZ PHE A 62 19.546 -2.069 -6.640 1.00 22.12 H new ATOM 887 N ARG A 63 18.062 4.285 -9.502 1.00 14.30 N ATOM 888 CA ARG A 63 18.449 5.735 -9.540 1.00 72.23 C ATOM 889 C ARG A 63 17.326 6.583 -10.170 1.00 22.33 C ATOM 890 O ARG A 63 17.154 7.747 -9.835 1.00 75.35 O ATOM 891 CB ARG A 63 19.743 5.982 -10.328 1.00 63.43 C ATOM 892 CG ARG A 63 21.036 5.791 -9.547 1.00 60.44 C ATOM 893 CD ARG A 63 21.211 6.894 -8.512 1.00 22.11 C ATOM 894 NE ARG A 63 21.245 8.237 -9.146 1.00 64.44 N ATOM 895 CZ ARG A 63 20.887 9.397 -8.551 1.00 14.04 C ATOM 896 NH1 ARG A 63 20.464 9.406 -7.286 1.00 24.04 N ATOM 897 NH2 ARG A 63 20.958 10.549 -9.236 1.00 10.12 N ATOM 0 H ARG A 63 18.775 3.643 -9.849 1.00 14.30 H new ATOM 0 HA ARG A 63 18.614 6.030 -8.504 1.00 72.23 H new ATOM 0 HB2 ARG A 63 19.757 5.312 -11.188 1.00 63.43 H new ATOM 0 HB3 ARG A 63 19.722 7.000 -10.717 1.00 63.43 H new ATOM 0 HG2 ARG A 63 21.027 4.820 -9.052 1.00 60.44 H new ATOM 0 HG3 ARG A 63 21.884 5.792 -10.232 1.00 60.44 H new ATOM 0 HD2 ARG A 63 20.394 6.851 -7.792 1.00 22.11 H new ATOM 0 HD3 ARG A 63 22.134 6.730 -7.956 1.00 22.11 H new ATOM 0 HE ARG A 63 21.566 8.288 -10.113 1.00 64.44 H new ATOM 0 HH11 ARG A 63 20.409 8.534 -6.760 1.00 24.04 H new ATOM 0 HH12 ARG A 63 20.196 10.285 -6.844 1.00 24.04 H new ATOM 0 HH21 ARG A 63 21.281 10.548 -10.203 1.00 10.12 H new ATOM 0 HH22 ARG A 63 20.688 11.425 -8.789 1.00 10.12 H new ATOM 911 N LYS A 64 16.577 5.935 -11.058 1.00 55.25 N ATOM 912 CA LYS A 64 15.368 6.437 -11.723 1.00 73.11 C ATOM 913 C LYS A 64 14.305 6.935 -10.686 1.00 61.33 C ATOM 914 O LYS A 64 13.453 7.753 -10.999 1.00 75.51 O ATOM 915 CB LYS A 64 14.846 5.242 -12.601 1.00 53.55 C ATOM 916 CG LYS A 64 13.584 5.449 -13.439 1.00 74.14 C ATOM 917 CD LYS A 64 12.275 5.192 -12.670 1.00 30.14 C ATOM 918 CE LYS A 64 11.856 3.683 -12.589 1.00 33.14 C ATOM 919 NZ LYS A 64 12.731 2.821 -11.746 1.00 70.42 N ATOM 0 H LYS A 64 16.808 4.987 -11.354 1.00 55.25 H new ATOM 0 HA LYS A 64 15.576 7.309 -12.342 1.00 73.11 H new ATOM 0 HB2 LYS A 64 15.650 4.952 -13.278 1.00 53.55 H new ATOM 0 HB3 LYS A 64 14.668 4.396 -11.937 1.00 53.55 H new ATOM 0 HG2 LYS A 64 13.576 6.470 -13.819 1.00 74.14 H new ATOM 0 HG3 LYS A 64 13.622 4.787 -14.304 1.00 74.14 H new ATOM 0 HD2 LYS A 64 12.380 5.582 -11.658 1.00 30.14 H new ATOM 0 HD3 LYS A 64 11.472 5.754 -13.146 1.00 30.14 H new ATOM 0 HE2 LYS A 64 10.838 3.626 -12.203 1.00 33.14 H new ATOM 0 HE3 LYS A 64 11.837 3.274 -13.599 1.00 33.14 H new ATOM 0 HZ1 LYS A 64 12.308 1.875 -11.660 1.00 70.42 H new ATOM 0 HZ2 LYS A 64 13.669 2.742 -12.188 1.00 70.42 H new ATOM 0 HZ3 LYS A 64 12.828 3.244 -10.801 1.00 70.42 H new ATOM 933 N ASN A 65 14.409 6.453 -9.462 1.00 73.35 N ATOM 934 CA ASN A 65 13.456 6.763 -8.387 1.00 33.44 C ATOM 935 C ASN A 65 14.068 7.772 -7.425 1.00 70.43 C ATOM 936 O ASN A 65 13.451 8.141 -6.403 1.00 11.02 O ATOM 937 CB ASN A 65 13.142 5.502 -7.564 1.00 31.03 C ATOM 938 CG ASN A 65 12.700 4.290 -8.366 1.00 53.14 C ATOM 939 OD1 ASN A 65 13.059 4.122 -9.508 1.00 43.54 O ATOM 940 ND2 ASN A 65 11.997 3.402 -7.748 1.00 33.41 N ATOM 0 H ASN A 65 15.161 5.828 -9.172 1.00 73.35 H new ATOM 0 HA ASN A 65 12.552 7.156 -8.852 1.00 33.44 H new ATOM 0 HB2 ASN A 65 14.030 5.233 -6.991 1.00 31.03 H new ATOM 0 HB3 ASN A 65 12.360 5.745 -6.844 1.00 31.03 H new ATOM 0 HD21 ASN A 65 11.734 2.539 -8.223 1.00 33.41 H new ATOM 0 HD22 ASN A 65 11.704 3.563 -6.784 1.00 33.41 H new ATOM 947 N GLY A 66 15.289 8.176 -7.718 1.00 63.32 N ATOM 948 CA GLY A 66 15.985 9.127 -6.889 1.00 55.32 C ATOM 949 C GLY A 66 16.625 8.511 -5.648 1.00 74.11 C ATOM 950 O GLY A 66 16.502 9.055 -4.556 1.00 62.42 O ATOM 0 H GLY A 66 15.817 7.855 -8.529 1.00 63.32 H new ATOM 0 HA2 GLY A 66 16.759 9.613 -7.482 1.00 55.32 H new ATOM 0 HA3 GLY A 66 15.286 9.904 -6.578 1.00 55.32 H new ATOM 954 N TYR A 67 17.291 7.373 -5.797 1.00 11.01 N ATOM 955 CA TYR A 67 17.990 6.771 -4.661 1.00 12.44 C ATOM 956 C TYR A 67 19.422 7.227 -4.614 1.00 31.41 C ATOM 957 O TYR A 67 20.092 7.291 -5.650 1.00 14.32 O ATOM 958 CB TYR A 67 17.966 5.245 -4.708 1.00 2.01 C ATOM 959 CG TYR A 67 16.603 4.669 -4.590 1.00 15.04 C ATOM 960 CD1 TYR A 67 15.936 4.703 -3.401 1.00 51.22 C ATOM 961 CD2 TYR A 67 15.979 4.105 -5.663 1.00 34.11 C ATOM 962 CE1 TYR A 67 14.676 4.196 -3.296 1.00 3.55 C ATOM 963 CE2 TYR A 67 14.722 3.587 -5.559 1.00 42.34 C ATOM 964 CZ TYR A 67 14.075 3.636 -4.388 1.00 0.14 C ATOM 965 OH TYR A 67 12.799 3.141 -4.304 1.00 65.51 O ATOM 0 H TYR A 67 17.364 6.855 -6.672 1.00 11.01 H new ATOM 0 HA TYR A 67 17.461 7.099 -3.766 1.00 12.44 H new ATOM 0 HB2 TYR A 67 18.413 4.911 -5.645 1.00 2.01 H new ATOM 0 HB3 TYR A 67 18.587 4.855 -3.902 1.00 2.01 H new ATOM 0 HD1 TYR A 67 16.412 5.136 -2.534 1.00 51.22 H new ATOM 0 HD2 TYR A 67 16.490 4.068 -6.614 1.00 34.11 H new ATOM 0 HE1 TYR A 67 14.153 4.237 -2.352 1.00 3.55 H new ATOM 0 HE2 TYR A 67 14.249 3.138 -6.420 1.00 42.34 H new ATOM 0 HH TYR A 67 12.472 3.234 -3.385 1.00 65.51 H new ATOM 975 N ARG A 68 19.887 7.583 -3.450 1.00 43.40 N ATOM 976 CA ARG A 68 21.225 7.917 -3.251 1.00 55.20 C ATOM 977 C ARG A 68 21.930 6.649 -2.837 1.00 33.32 C ATOM 978 O ARG A 68 21.890 6.283 -1.675 1.00 45.23 O ATOM 979 CB ARG A 68 21.319 8.920 -2.119 1.00 2.55 C ATOM 980 CG ARG A 68 22.681 9.496 -1.970 1.00 54.42 C ATOM 981 CD ARG A 68 23.230 9.378 -0.542 1.00 32.13 C ATOM 982 NE ARG A 68 23.579 7.988 -0.186 1.00 13.11 N ATOM 983 CZ ARG A 68 23.874 7.545 1.047 1.00 25.21 C ATOM 984 NH1 ARG A 68 23.693 8.330 2.112 1.00 54.44 N ATOM 985 NH2 ARG A 68 24.316 6.309 1.222 1.00 51.13 N ATOM 0 H ARG A 68 19.314 7.643 -2.608 1.00 43.40 H new ATOM 0 HA ARG A 68 21.666 8.345 -4.151 1.00 55.20 H new ATOM 0 HB2 ARG A 68 20.606 9.726 -2.294 1.00 2.55 H new ATOM 0 HB3 ARG A 68 21.030 8.436 -1.186 1.00 2.55 H new ATOM 0 HG2 ARG A 68 23.360 8.991 -2.657 1.00 54.42 H new ATOM 0 HG3 ARG A 68 22.659 10.547 -2.259 1.00 54.42 H new ATOM 0 HD2 ARG A 68 24.114 10.008 -0.442 1.00 32.13 H new ATOM 0 HD3 ARG A 68 22.488 9.755 0.162 1.00 32.13 H new ATOM 0 HE ARG A 68 23.598 7.304 -0.943 1.00 13.11 H new ATOM 0 HH11 ARG A 68 23.328 9.275 1.993 1.00 54.44 H new ATOM 0 HH12 ARG A 68 23.920 7.985 3.045 1.00 54.44 H new ATOM 0 HH21 ARG A 68 24.433 5.691 0.419 1.00 51.13 H new ATOM 0 HH22 ARG A 68 24.539 5.975 2.160 1.00 51.13 H new ATOM 999 N LEU A 69 22.503 5.950 -3.757 1.00 30.15 N ATOM 1000 CA LEU A 69 23.160 4.733 -3.396 1.00 52.01 C ATOM 1001 C LEU A 69 24.548 4.732 -3.870 1.00 72.22 C ATOM 1002 O LEU A 69 24.845 5.143 -4.995 1.00 1.45 O ATOM 1003 CB LEU A 69 22.440 3.493 -3.946 1.00 64.44 C ATOM 1004 CG LEU A 69 20.977 3.284 -3.529 1.00 24.25 C ATOM 1005 CD1 LEU A 69 20.426 2.007 -4.137 1.00 72.33 C ATOM 1006 CD2 LEU A 69 20.838 3.246 -2.021 1.00 5.51 C ATOM 0 H LEU A 69 22.533 6.191 -4.748 1.00 30.15 H new ATOM 0 HA LEU A 69 23.139 4.682 -2.307 1.00 52.01 H new ATOM 0 HB2 LEU A 69 22.477 3.537 -5.034 1.00 64.44 H new ATOM 0 HB3 LEU A 69 23.006 2.612 -3.643 1.00 64.44 H new ATOM 0 HG LEU A 69 20.400 4.130 -3.903 1.00 24.25 H new ATOM 0 HD11 LEU A 69 19.388 1.876 -3.830 1.00 72.33 H new ATOM 0 HD12 LEU A 69 20.478 2.070 -5.224 1.00 72.33 H new ATOM 0 HD13 LEU A 69 21.016 1.157 -3.794 1.00 72.33 H new ATOM 0 HD21 LEU A 69 19.791 3.097 -1.756 1.00 5.51 H new ATOM 0 HD22 LEU A 69 21.434 2.426 -1.621 1.00 5.51 H new ATOM 0 HD23 LEU A 69 21.188 4.188 -1.599 1.00 5.51 H new ATOM 1018 N THR A 70 25.382 4.316 -3.012 1.00 3.12 N ATOM 1019 CA THR A 70 26.708 4.041 -3.315 1.00 33.25 C ATOM 1020 C THR A 70 26.708 2.532 -3.503 1.00 34.12 C ATOM 1021 O THR A 70 25.766 1.859 -3.099 1.00 34.10 O ATOM 1022 CB THR A 70 27.630 4.435 -2.134 1.00 72.45 C ATOM 1023 OG1 THR A 70 27.176 5.673 -1.587 1.00 32.35 O ATOM 1024 CG2 THR A 70 29.076 4.601 -2.590 1.00 3.32 C ATOM 0 H THR A 70 25.142 4.152 -2.034 1.00 3.12 H new ATOM 0 HA THR A 70 27.073 4.588 -4.184 1.00 33.25 H new ATOM 0 HB THR A 70 27.592 3.641 -1.388 1.00 72.45 H new ATOM 0 HG1 THR A 70 26.399 5.511 -1.012 1.00 32.35 H new ATOM 0 HG21 THR A 70 29.697 4.877 -1.738 1.00 3.32 H new ATOM 0 HG22 THR A 70 29.435 3.662 -3.011 1.00 3.32 H new ATOM 0 HG23 THR A 70 29.131 5.383 -3.348 1.00 3.32 H new ATOM 1032 N LEU A 71 27.724 2.015 -4.052 1.00 2.51 N ATOM 1033 CA LEU A 71 27.770 0.607 -4.406 1.00 30.11 C ATOM 1034 C LEU A 71 27.902 -0.241 -3.157 1.00 30.11 C ATOM 1035 O LEU A 71 27.398 -1.353 -3.087 1.00 44.23 O ATOM 1036 CB LEU A 71 28.926 0.284 -5.369 1.00 65.22 C ATOM 1037 CG LEU A 71 28.997 1.046 -6.723 1.00 63.33 C ATOM 1038 CD1 LEU A 71 27.705 0.927 -7.484 1.00 10.53 C ATOM 1039 CD2 LEU A 71 29.370 2.506 -6.541 1.00 21.24 C ATOM 0 H LEU A 71 28.571 2.534 -4.284 1.00 2.51 H new ATOM 0 HA LEU A 71 26.836 0.376 -4.918 1.00 30.11 H new ATOM 0 HB2 LEU A 71 29.861 0.464 -4.838 1.00 65.22 H new ATOM 0 HB3 LEU A 71 28.885 -0.783 -5.590 1.00 65.22 H new ATOM 0 HG LEU A 71 29.789 0.574 -7.305 1.00 63.33 H new ATOM 0 HD11 LEU A 71 27.786 1.470 -8.426 1.00 10.53 H new ATOM 0 HD12 LEU A 71 27.498 -0.124 -7.688 1.00 10.53 H new ATOM 0 HD13 LEU A 71 26.893 1.348 -6.891 1.00 10.53 H new ATOM 0 HD21 LEU A 71 29.407 2.996 -7.514 1.00 21.24 H new ATOM 0 HD22 LEU A 71 28.624 2.997 -5.916 1.00 21.24 H new ATOM 0 HD23 LEU A 71 30.347 2.575 -6.063 1.00 21.24 H new ATOM 1051 N ARG A 72 28.537 0.352 -2.161 1.00 3.13 N ATOM 1052 CA ARG A 72 28.821 -0.268 -0.864 1.00 14.13 C ATOM 1053 C ARG A 72 27.552 -0.825 -0.255 1.00 4.51 C ATOM 1054 O ARG A 72 27.539 -1.936 0.206 1.00 63.21 O ATOM 1055 CB ARG A 72 29.383 0.787 0.074 1.00 73.04 C ATOM 1056 CG ARG A 72 29.628 0.301 1.490 1.00 51.22 C ATOM 1057 CD ARG A 72 29.300 1.384 2.520 1.00 3.30 C ATOM 1058 NE ARG A 72 27.876 1.757 2.459 1.00 1.12 N ATOM 1059 CZ ARG A 72 26.976 1.644 3.463 1.00 41.54 C ATOM 1060 NH1 ARG A 72 27.347 1.280 4.694 1.00 4.43 N ATOM 1061 NH2 ARG A 72 25.717 1.926 3.230 1.00 12.31 N ATOM 0 H ARG A 72 28.883 1.309 -2.228 1.00 3.13 H new ATOM 0 HA ARG A 72 29.536 -1.078 -1.009 1.00 14.13 H new ATOM 0 HB2 ARG A 72 30.322 1.158 -0.337 1.00 73.04 H new ATOM 0 HB3 ARG A 72 28.694 1.631 0.107 1.00 73.04 H new ATOM 0 HG2 ARG A 72 29.019 -0.582 1.683 1.00 51.22 H new ATOM 0 HG3 ARG A 72 30.670 -0.001 1.597 1.00 51.22 H new ATOM 0 HD2 ARG A 72 29.543 1.025 3.520 1.00 3.30 H new ATOM 0 HD3 ARG A 72 29.918 2.263 2.338 1.00 3.30 H new ATOM 0 HE ARG A 72 27.536 2.137 1.575 1.00 1.12 H new ATOM 0 HH11 ARG A 72 28.327 1.080 4.893 1.00 4.43 H new ATOM 0 HH12 ARG A 72 26.650 1.202 5.435 1.00 4.43 H new ATOM 0 HH21 ARG A 72 25.425 2.227 2.300 1.00 12.31 H new ATOM 0 HH22 ARG A 72 25.029 1.845 3.979 1.00 12.31 H new ATOM 1075 N GLU A 73 26.516 -0.015 -0.275 1.00 3.32 N ATOM 1076 CA GLU A 73 25.188 -0.324 0.217 1.00 11.21 C ATOM 1077 C GLU A 73 24.744 -1.722 -0.212 1.00 45.23 C ATOM 1078 O GLU A 73 24.480 -2.605 0.609 1.00 73.33 O ATOM 1079 CB GLU A 73 24.199 0.683 -0.400 1.00 42.22 C ATOM 1080 CG GLU A 73 24.189 2.133 0.122 1.00 11.23 C ATOM 1081 CD GLU A 73 25.426 2.994 -0.009 1.00 50.50 C ATOM 1082 OE1 GLU A 73 26.553 2.529 0.242 1.00 30.41 O ATOM 1083 OE2 GLU A 73 25.258 4.194 -0.330 1.00 10.22 O ATOM 0 H GLU A 73 26.580 0.929 -0.656 1.00 3.32 H new ATOM 0 HA GLU A 73 25.205 -0.273 1.306 1.00 11.21 H new ATOM 0 HB2 GLU A 73 24.393 0.720 -1.472 1.00 42.22 H new ATOM 0 HB3 GLU A 73 23.195 0.280 -0.271 1.00 42.22 H new ATOM 0 HG2 GLU A 73 23.377 2.654 -0.385 1.00 11.23 H new ATOM 0 HG3 GLU A 73 23.932 2.094 1.181 1.00 11.23 H new ATOM 1090 N LEU A 74 24.758 -1.914 -1.498 1.00 13.32 N ATOM 1091 CA LEU A 74 24.242 -3.116 -2.126 1.00 71.30 C ATOM 1092 C LEU A 74 25.216 -4.289 -2.029 1.00 44.42 C ATOM 1093 O LEU A 74 24.860 -5.424 -2.319 1.00 72.41 O ATOM 1094 CB LEU A 74 23.874 -2.823 -3.590 1.00 11.05 C ATOM 1095 CG LEU A 74 23.031 -1.562 -3.797 1.00 5.32 C ATOM 1096 CD1 LEU A 74 23.903 -0.369 -4.136 1.00 33.44 C ATOM 1097 CD2 LEU A 74 21.937 -1.764 -4.815 1.00 62.43 C ATOM 0 H LEU A 74 25.133 -1.234 -2.160 1.00 13.32 H new ATOM 0 HA LEU A 74 23.345 -3.415 -1.584 1.00 71.30 H new ATOM 0 HB2 LEU A 74 24.792 -2.729 -4.170 1.00 11.05 H new ATOM 0 HB3 LEU A 74 23.330 -3.678 -3.992 1.00 11.05 H new ATOM 0 HG LEU A 74 22.534 -1.350 -2.850 1.00 5.32 H new ATOM 0 HD11 LEU A 74 23.276 0.511 -4.277 1.00 33.44 H new ATOM 0 HD12 LEU A 74 24.605 -0.188 -3.322 1.00 33.44 H new ATOM 0 HD13 LEU A 74 24.456 -0.572 -5.053 1.00 33.44 H new ATOM 0 HD21 LEU A 74 21.368 -0.841 -4.925 1.00 62.43 H new ATOM 0 HD22 LEU A 74 22.378 -2.035 -5.774 1.00 62.43 H new ATOM 0 HD23 LEU A 74 21.273 -2.562 -4.482 1.00 62.43 H new ATOM 1109 N TYR A 75 26.424 -4.002 -1.623 1.00 21.13 N ATOM 1110 CA TYR A 75 27.460 -5.012 -1.470 1.00 63.10 C ATOM 1111 C TYR A 75 27.649 -5.431 -0.032 1.00 12.02 C ATOM 1112 O TYR A 75 27.976 -6.575 0.242 1.00 1.30 O ATOM 1113 CB TYR A 75 28.774 -4.502 -2.025 1.00 74.42 C ATOM 1114 CG TYR A 75 28.898 -4.635 -3.513 1.00 35.04 C ATOM 1115 CD1 TYR A 75 28.892 -5.886 -4.109 1.00 10.24 C ATOM 1116 CD2 TYR A 75 29.052 -3.526 -4.317 1.00 52.22 C ATOM 1117 CE1 TYR A 75 29.035 -6.026 -5.479 1.00 42.33 C ATOM 1118 CE2 TYR A 75 29.190 -3.652 -5.684 1.00 73.11 C ATOM 1119 CZ TYR A 75 29.182 -4.908 -6.257 1.00 61.11 C ATOM 1120 OH TYR A 75 29.325 -5.040 -7.609 1.00 51.45 O ATOM 0 H TYR A 75 26.728 -3.058 -1.385 1.00 21.13 H new ATOM 0 HA TYR A 75 27.134 -5.889 -2.030 1.00 63.10 H new ATOM 0 HB2 TYR A 75 28.889 -3.453 -1.753 1.00 74.42 H new ATOM 0 HB3 TYR A 75 29.592 -5.045 -1.552 1.00 74.42 H new ATOM 0 HD1 TYR A 75 28.774 -6.766 -3.495 1.00 10.24 H new ATOM 0 HD2 TYR A 75 29.065 -2.543 -3.870 1.00 52.22 H new ATOM 0 HE1 TYR A 75 29.031 -7.007 -5.930 1.00 42.33 H new ATOM 0 HE2 TYR A 75 29.304 -2.774 -6.302 1.00 73.11 H new ATOM 0 HH TYR A 75 28.851 -5.842 -7.911 1.00 51.45 H new ATOM 1130 N ALA A 76 27.464 -4.507 0.878 1.00 62.32 N ATOM 1131 CA ALA A 76 27.652 -4.796 2.277 1.00 23.53 C ATOM 1132 C ALA A 76 26.447 -5.523 2.826 1.00 13.22 C ATOM 1133 O ALA A 76 26.563 -6.374 3.703 1.00 34.41 O ATOM 1134 CB ALA A 76 27.936 -3.527 3.068 1.00 74.04 C ATOM 0 H ALA A 76 27.183 -3.548 0.674 1.00 62.32 H new ATOM 0 HA ALA A 76 28.522 -5.445 2.380 1.00 23.53 H new ATOM 0 HB1 ALA A 76 28.073 -3.777 4.120 1.00 74.04 H new ATOM 0 HB2 ALA A 76 28.841 -3.055 2.686 1.00 74.04 H new ATOM 0 HB3 ALA A 76 27.097 -2.839 2.965 1.00 74.04 H new ATOM 1140 N ALA A 77 25.291 -5.187 2.308 1.00 13.22 N ATOM 1141 CA ALA A 77 24.086 -5.852 2.693 1.00 42.32 C ATOM 1142 C ALA A 77 23.290 -6.240 1.454 1.00 72.31 C ATOM 1143 O ALA A 77 22.338 -5.556 1.073 1.00 72.22 O ATOM 1144 CB ALA A 77 23.256 -4.997 3.645 1.00 52.24 C ATOM 0 H ALA A 77 25.167 -4.450 1.614 1.00 13.22 H new ATOM 0 HA ALA A 77 24.350 -6.761 3.234 1.00 42.32 H new ATOM 0 HB1 ALA A 77 22.347 -5.533 3.917 1.00 52.24 H new ATOM 0 HB2 ALA A 77 23.836 -4.786 4.544 1.00 52.24 H new ATOM 0 HB3 ALA A 77 22.991 -4.060 3.155 1.00 52.24 H new ATOM 1150 N PRO A 78 23.698 -7.304 0.756 1.00 60.25 N ATOM 1151 CA PRO A 78 23.012 -7.744 -0.420 1.00 13.31 C ATOM 1152 C PRO A 78 21.899 -8.704 -0.063 1.00 35.15 C ATOM 1153 O PRO A 78 22.100 -9.918 -0.010 1.00 65.02 O ATOM 1154 CB PRO A 78 24.106 -8.461 -1.236 1.00 43.43 C ATOM 1155 CG PRO A 78 25.316 -8.511 -0.342 1.00 62.13 C ATOM 1156 CD PRO A 78 24.854 -8.149 1.036 1.00 53.01 C ATOM 0 HA PRO A 78 22.544 -6.925 -0.966 1.00 13.31 H new ATOM 0 HB2 PRO A 78 23.788 -9.464 -1.520 1.00 43.43 H new ATOM 0 HB3 PRO A 78 24.323 -7.922 -2.158 1.00 43.43 H new ATOM 0 HG2 PRO A 78 25.762 -9.506 -0.351 1.00 62.13 H new ATOM 0 HG3 PRO A 78 26.081 -7.816 -0.688 1.00 62.13 H new ATOM 0 HD2 PRO A 78 24.584 -9.029 1.620 1.00 53.01 H new ATOM 0 HD3 PRO A 78 25.622 -7.617 1.597 1.00 53.01 H new ATOM 1164 N THR A 79 20.754 -8.146 0.225 1.00 51.12 N ATOM 1165 CA THR A 79 19.555 -8.870 0.554 1.00 70.13 C ATOM 1166 C THR A 79 18.418 -7.988 0.107 1.00 11.51 C ATOM 1167 O THR A 79 18.530 -6.763 0.200 1.00 65.24 O ATOM 1168 CB THR A 79 19.403 -9.102 2.107 1.00 24.20 C ATOM 1169 OG1 THR A 79 19.437 -7.847 2.797 1.00 34.34 O ATOM 1170 CG2 THR A 79 20.490 -9.998 2.681 1.00 23.12 C ATOM 0 H THR A 79 20.626 -7.134 0.237 1.00 51.12 H new ATOM 0 HA THR A 79 19.573 -9.850 0.076 1.00 70.13 H new ATOM 0 HB THR A 79 18.444 -9.600 2.251 1.00 24.20 H new ATOM 0 HG1 THR A 79 19.340 -8.000 3.760 1.00 34.34 H new ATOM 0 HG21 THR A 79 20.332 -10.121 3.753 1.00 23.12 H new ATOM 0 HG22 THR A 79 20.452 -10.973 2.195 1.00 23.12 H new ATOM 0 HG23 THR A 79 21.465 -9.543 2.508 1.00 23.12 H new ATOM 1178 N LEU A 80 17.334 -8.547 -0.369 1.00 43.50 N ATOM 1179 CA LEU A 80 16.212 -7.708 -0.766 1.00 31.25 C ATOM 1180 C LEU A 80 15.555 -7.124 0.435 1.00 32.24 C ATOM 1181 O LEU A 80 14.847 -6.136 0.349 1.00 65.43 O ATOM 1182 CB LEU A 80 15.217 -8.445 -1.604 1.00 51.22 C ATOM 1183 CG LEU A 80 15.744 -8.921 -2.919 1.00 70.22 C ATOM 1184 CD1 LEU A 80 14.650 -9.588 -3.674 1.00 52.10 C ATOM 1185 CD2 LEU A 80 16.281 -7.776 -3.755 1.00 32.21 C ATOM 0 H LEU A 80 17.197 -9.550 -0.492 1.00 43.50 H new ATOM 0 HA LEU A 80 16.612 -6.903 -1.383 1.00 31.25 H new ATOM 0 HB2 LEU A 80 14.852 -9.304 -1.041 1.00 51.22 H new ATOM 0 HB3 LEU A 80 14.361 -7.795 -1.784 1.00 51.22 H new ATOM 0 HG LEU A 80 16.560 -9.616 -2.720 1.00 70.22 H new ATOM 0 HD11 LEU A 80 15.031 -9.937 -4.634 1.00 52.10 H new ATOM 0 HD12 LEU A 80 14.278 -10.437 -3.101 1.00 52.10 H new ATOM 0 HD13 LEU A 80 13.839 -8.880 -3.841 1.00 52.10 H new ATOM 0 HD21 LEU A 80 16.655 -8.162 -4.703 1.00 32.21 H new ATOM 0 HD22 LEU A 80 15.483 -7.059 -3.945 1.00 32.21 H new ATOM 0 HD23 LEU A 80 17.092 -7.283 -3.219 1.00 32.21 H new ATOM 1197 N ALA A 81 15.770 -7.765 1.537 1.00 74.54 N ATOM 1198 CA ALA A 81 15.329 -7.263 2.830 1.00 24.04 C ATOM 1199 C ALA A 81 15.945 -5.876 3.095 1.00 2.30 C ATOM 1200 O ALA A 81 15.231 -4.910 3.358 1.00 1.45 O ATOM 1201 CB ALA A 81 15.709 -8.235 3.940 1.00 14.21 C ATOM 0 H ALA A 81 16.259 -8.659 1.583 1.00 74.54 H new ATOM 0 HA ALA A 81 14.243 -7.169 2.816 1.00 24.04 H new ATOM 0 HB1 ALA A 81 15.371 -7.842 4.899 1.00 14.21 H new ATOM 0 HB2 ALA A 81 15.237 -9.200 3.756 1.00 14.21 H new ATOM 0 HB3 ALA A 81 16.792 -8.359 3.960 1.00 14.21 H new ATOM 1207 N ALA A 82 17.267 -5.776 2.964 1.00 43.24 N ATOM 1208 CA ALA A 82 17.959 -4.511 3.184 1.00 3.34 C ATOM 1209 C ALA A 82 17.718 -3.545 2.035 1.00 22.01 C ATOM 1210 O ALA A 82 17.563 -2.340 2.248 1.00 43.31 O ATOM 1211 CB ALA A 82 19.448 -4.727 3.392 1.00 32.42 C ATOM 0 H ALA A 82 17.876 -6.553 2.708 1.00 43.24 H new ATOM 0 HA ALA A 82 17.549 -4.069 4.092 1.00 3.34 H new ATOM 0 HB1 ALA A 82 19.936 -3.766 3.553 1.00 32.42 H new ATOM 0 HB2 ALA A 82 19.605 -5.364 4.262 1.00 32.42 H new ATOM 0 HB3 ALA A 82 19.873 -5.206 2.510 1.00 32.42 H new ATOM 1217 N TRP A 83 17.663 -4.070 0.817 1.00 51.30 N ATOM 1218 CA TRP A 83 17.426 -3.230 -0.355 1.00 11.31 C ATOM 1219 C TRP A 83 16.051 -2.594 -0.305 1.00 74.32 C ATOM 1220 O TRP A 83 15.879 -1.477 -0.742 1.00 43.03 O ATOM 1221 CB TRP A 83 17.619 -3.986 -1.673 1.00 34.24 C ATOM 1222 CG TRP A 83 19.034 -4.428 -1.962 1.00 33.11 C ATOM 1223 CD1 TRP A 83 20.082 -4.524 -1.088 1.00 22.35 C ATOM 1224 CD2 TRP A 83 19.537 -4.847 -3.228 1.00 11.12 C ATOM 1225 NE1 TRP A 83 21.191 -5.002 -1.730 1.00 40.25 N ATOM 1226 CE2 TRP A 83 20.885 -5.204 -3.049 1.00 44.13 C ATOM 1227 CE3 TRP A 83 18.972 -4.958 -4.496 1.00 21.45 C ATOM 1228 CZ2 TRP A 83 21.671 -5.672 -4.094 1.00 42.33 C ATOM 1229 CZ3 TRP A 83 19.752 -5.417 -5.535 1.00 65.04 C ATOM 1230 CH2 TRP A 83 21.086 -5.772 -5.329 1.00 64.45 C ATOM 0 H TRP A 83 17.778 -5.063 0.614 1.00 51.30 H new ATOM 0 HA TRP A 83 18.178 -2.442 -0.324 1.00 11.31 H new ATOM 0 HB2 TRP A 83 16.975 -4.866 -1.666 1.00 34.24 H new ATOM 0 HB3 TRP A 83 17.280 -3.350 -2.491 1.00 34.24 H new ATOM 0 HD1 TRP A 83 20.040 -4.260 -0.042 1.00 22.35 H new ATOM 0 HE1 TRP A 83 22.097 -5.179 -1.297 1.00 40.25 H new ATOM 0 HE3 TRP A 83 17.939 -4.689 -4.662 1.00 21.45 H new ATOM 0 HZ2 TRP A 83 22.704 -5.947 -3.939 1.00 42.33 H new ATOM 0 HZ3 TRP A 83 19.325 -5.503 -6.523 1.00 65.04 H new ATOM 0 HH2 TRP A 83 21.670 -6.134 -6.162 1.00 64.45 H new ATOM 1241 N ASN A 84 15.084 -3.302 0.269 1.00 40.00 N ATOM 1242 CA ASN A 84 13.716 -2.778 0.442 1.00 13.13 C ATOM 1243 C ASN A 84 13.755 -1.541 1.321 1.00 15.24 C ATOM 1244 O ASN A 84 13.017 -0.582 1.109 1.00 1.52 O ATOM 1245 CB ASN A 84 12.813 -3.841 1.090 1.00 33.00 C ATOM 1246 CG ASN A 84 11.379 -3.377 1.306 1.00 12.35 C ATOM 1247 OD1 ASN A 84 10.543 -3.512 0.425 1.00 72.14 O ATOM 1248 ND2 ASN A 84 11.077 -2.868 2.484 1.00 32.40 N ATOM 0 H ASN A 84 15.215 -4.248 0.628 1.00 40.00 H new ATOM 0 HA ASN A 84 13.310 -2.521 -0.537 1.00 13.13 H new ATOM 0 HB2 ASN A 84 12.807 -4.732 0.461 1.00 33.00 H new ATOM 0 HB3 ASN A 84 13.240 -4.131 2.050 1.00 33.00 H new ATOM 0 HD21 ASN A 84 10.121 -2.573 2.682 1.00 32.40 H new ATOM 0 HD22 ASN A 84 11.799 -2.769 3.197 1.00 32.40 H new ATOM 1255 N GLN A 85 14.658 -1.553 2.283 1.00 61.02 N ATOM 1256 CA GLN A 85 14.817 -0.436 3.171 1.00 63.11 C ATOM 1257 C GLN A 85 15.418 0.730 2.409 1.00 73.41 C ATOM 1258 O GLN A 85 14.998 1.857 2.582 1.00 14.11 O ATOM 1259 CB GLN A 85 15.658 -0.808 4.394 1.00 5.24 C ATOM 1260 CG GLN A 85 15.103 -1.999 5.172 1.00 31.45 C ATOM 1261 CD GLN A 85 13.646 -1.815 5.575 1.00 61.14 C ATOM 1262 OE1 GLN A 85 12.730 -2.188 4.842 1.00 44.50 O ATOM 1263 NE2 GLN A 85 13.422 -1.240 6.731 1.00 32.40 N ATOM 0 H GLN A 85 15.292 -2.332 2.463 1.00 61.02 H new ATOM 0 HA GLN A 85 13.838 -0.140 3.548 1.00 63.11 H new ATOM 0 HB2 GLN A 85 16.674 -1.036 4.071 1.00 5.24 H new ATOM 0 HB3 GLN A 85 15.720 0.054 5.059 1.00 5.24 H new ATOM 0 HG2 GLN A 85 15.196 -2.899 4.564 1.00 31.45 H new ATOM 0 HG3 GLN A 85 15.706 -2.155 6.067 1.00 31.45 H new ATOM 0 HE21 GLN A 85 14.205 -0.943 7.313 1.00 32.40 H new ATOM 0 HE22 GLN A 85 12.464 -1.089 7.049 1.00 32.40 H new ATOM 1272 N LEU A 86 16.372 0.436 1.519 1.00 52.44 N ATOM 1273 CA LEU A 86 16.957 1.451 0.633 1.00 25.13 C ATOM 1274 C LEU A 86 15.859 2.123 -0.184 1.00 44.32 C ATOM 1275 O LEU A 86 15.816 3.359 -0.307 1.00 33.00 O ATOM 1276 CB LEU A 86 17.956 0.816 -0.333 1.00 30.43 C ATOM 1277 CG LEU A 86 19.207 0.217 0.283 1.00 24.03 C ATOM 1278 CD1 LEU A 86 20.010 -0.480 -0.785 1.00 52.51 C ATOM 1279 CD2 LEU A 86 20.057 1.299 0.911 1.00 14.31 C ATOM 0 H LEU A 86 16.757 -0.500 1.392 1.00 52.44 H new ATOM 0 HA LEU A 86 17.469 2.185 1.256 1.00 25.13 H new ATOM 0 HB2 LEU A 86 17.441 0.033 -0.890 1.00 30.43 H new ATOM 0 HB3 LEU A 86 18.261 1.573 -1.055 1.00 30.43 H new ATOM 0 HG LEU A 86 18.909 -0.495 1.052 1.00 24.03 H new ATOM 0 HD11 LEU A 86 20.908 -0.910 -0.342 1.00 52.51 H new ATOM 0 HD12 LEU A 86 19.410 -1.273 -1.232 1.00 52.51 H new ATOM 0 HD13 LEU A 86 20.293 0.238 -1.554 1.00 52.51 H new ATOM 0 HD21 LEU A 86 20.950 0.852 1.348 1.00 14.31 H new ATOM 0 HD22 LEU A 86 20.349 2.021 0.148 1.00 14.31 H new ATOM 0 HD23 LEU A 86 19.486 1.804 1.690 1.00 14.31 H new ATOM 1291 N MET A 87 14.936 1.282 -0.667 1.00 74.24 N ATOM 1292 CA MET A 87 13.796 1.674 -1.512 1.00 52.45 C ATOM 1293 C MET A 87 12.901 2.700 -0.824 1.00 3.21 C ATOM 1294 O MET A 87 12.196 3.482 -1.474 1.00 22.15 O ATOM 1295 CB MET A 87 12.965 0.442 -1.918 1.00 1.34 C ATOM 1296 CG MET A 87 13.768 -0.621 -2.646 1.00 70.52 C ATOM 1297 SD MET A 87 14.370 -0.100 -4.257 1.00 71.12 S ATOM 1298 CE MET A 87 12.898 -0.337 -5.219 1.00 63.23 C ATOM 0 H MET A 87 14.961 0.280 -0.476 1.00 74.24 H new ATOM 0 HA MET A 87 14.210 2.137 -2.408 1.00 52.45 H new ATOM 0 HB2 MET A 87 12.522 0.002 -1.024 1.00 1.34 H new ATOM 0 HB3 MET A 87 12.142 0.764 -2.556 1.00 1.34 H new ATOM 0 HG2 MET A 87 14.618 -0.909 -2.027 1.00 70.52 H new ATOM 0 HG3 MET A 87 13.149 -1.509 -2.770 1.00 70.52 H new ATOM 0 HE1 MET A 87 12.828 0.445 -5.975 1.00 63.23 H new ATOM 0 HE2 MET A 87 12.935 -1.311 -5.707 1.00 63.23 H new ATOM 0 HE3 MET A 87 12.026 -0.291 -4.567 1.00 63.23 H new ATOM 1308 N LEU A 88 12.912 2.710 0.468 1.00 43.12 N ATOM 1309 CA LEU A 88 12.115 3.666 1.166 1.00 44.11 C ATOM 1310 C LEU A 88 12.964 4.761 1.716 1.00 51.33 C ATOM 1311 O LEU A 88 12.797 5.932 1.378 1.00 21.24 O ATOM 1312 CB LEU A 88 11.466 3.041 2.352 1.00 53.52 C ATOM 1313 CG LEU A 88 10.683 1.788 2.155 1.00 23.03 C ATOM 1314 CD1 LEU A 88 10.122 1.442 3.492 1.00 41.10 C ATOM 1315 CD2 LEU A 88 9.582 1.980 1.105 1.00 31.23 C ATOM 0 H LEU A 88 13.455 2.078 1.056 1.00 43.12 H new ATOM 0 HA LEU A 88 11.383 4.041 0.451 1.00 44.11 H new ATOM 0 HB2 LEU A 88 12.245 2.833 3.086 1.00 53.52 H new ATOM 0 HB3 LEU A 88 10.800 3.782 2.795 1.00 53.52 H new ATOM 0 HG LEU A 88 11.309 0.980 1.776 1.00 23.03 H new ATOM 0 HD11 LEU A 88 9.534 0.527 3.414 1.00 41.10 H new ATOM 0 HD12 LEU A 88 10.937 1.291 4.200 1.00 41.10 H new ATOM 0 HD13 LEU A 88 9.485 2.255 3.840 1.00 41.10 H new ATOM 0 HD21 LEU A 88 9.029 1.049 0.984 1.00 31.23 H new ATOM 0 HD22 LEU A 88 8.902 2.767 1.431 1.00 31.23 H new ATOM 0 HD23 LEU A 88 10.032 2.261 0.153 1.00 31.23 H new ATOM 1327 N SER A 89 13.950 4.344 2.488 1.00 12.33 N ATOM 1328 CA SER A 89 14.690 5.206 3.339 1.00 1.24 C ATOM 1329 C SER A 89 15.530 6.266 2.615 1.00 31.22 C ATOM 1330 O SER A 89 15.862 7.290 3.205 1.00 31.34 O ATOM 1331 CB SER A 89 15.547 4.393 4.293 1.00 12.13 C ATOM 1332 OG SER A 89 14.735 3.527 5.072 1.00 3.40 O ATOM 0 H SER A 89 14.252 3.371 2.529 1.00 12.33 H new ATOM 0 HA SER A 89 13.946 5.775 3.897 1.00 1.24 H new ATOM 0 HB2 SER A 89 16.276 3.810 3.730 1.00 12.13 H new ATOM 0 HB3 SER A 89 16.109 5.061 4.946 1.00 12.13 H new ATOM 0 HG SER A 89 14.553 2.707 4.567 1.00 3.40 H new ATOM 1338 N ARG A 90 15.877 6.007 1.343 1.00 20.13 N ATOM 1339 CA ARG A 90 16.722 6.891 0.520 1.00 52.13 C ATOM 1340 C ARG A 90 18.166 6.942 0.968 1.00 44.45 C ATOM 1341 O ARG A 90 19.077 6.693 0.179 1.00 2.13 O ATOM 1342 CB ARG A 90 16.136 8.300 0.337 1.00 53.00 C ATOM 1343 CG ARG A 90 14.869 8.336 -0.491 1.00 10.24 C ATOM 1344 CD ARG A 90 15.120 7.714 -1.848 1.00 72.24 C ATOM 1345 NE ARG A 90 14.017 7.888 -2.804 1.00 23.45 N ATOM 1346 CZ ARG A 90 12.990 7.037 -2.939 1.00 33.11 C ATOM 1347 NH1 ARG A 90 12.645 6.230 -1.925 1.00 11.41 N ATOM 1348 NH2 ARG A 90 12.271 7.041 -4.060 1.00 35.22 N ATOM 0 H ARG A 90 15.575 5.167 0.850 1.00 20.13 H new ATOM 0 HA ARG A 90 16.722 6.422 -0.464 1.00 52.13 H new ATOM 0 HB2 ARG A 90 15.929 8.727 1.318 1.00 53.00 H new ATOM 0 HB3 ARG A 90 16.885 8.936 -0.135 1.00 53.00 H new ATOM 0 HG2 ARG A 90 14.073 7.798 0.023 1.00 10.24 H new ATOM 0 HG3 ARG A 90 14.532 9.366 -0.610 1.00 10.24 H new ATOM 0 HD2 ARG A 90 16.025 8.148 -2.272 1.00 72.24 H new ATOM 0 HD3 ARG A 90 15.308 6.648 -1.718 1.00 72.24 H new ATOM 0 HE ARG A 90 14.034 8.712 -3.405 1.00 23.45 H new ATOM 0 HH11 ARG A 90 13.165 6.263 -1.048 1.00 11.41 H new ATOM 0 HH12 ARG A 90 11.863 5.584 -2.031 1.00 11.41 H new ATOM 0 HH21 ARG A 90 12.503 7.690 -4.812 1.00 35.22 H new ATOM 0 HH22 ARG A 90 11.489 6.395 -4.167 1.00 35.22 H new ATOM 1362 N SER A 91 18.367 7.275 2.192 1.00 61.15 N ATOM 1363 CA SER A 91 19.681 7.344 2.778 1.00 2.33 C ATOM 1364 C SER A 91 19.640 7.026 4.282 1.00 5.21 C ATOM 1365 O SER A 91 19.579 7.925 5.101 1.00 51.33 O ATOM 1366 CB SER A 91 20.324 8.722 2.528 1.00 14.54 C ATOM 1367 OG SER A 91 20.417 8.990 1.128 1.00 43.20 O ATOM 0 H SER A 91 17.615 7.514 2.838 1.00 61.15 H new ATOM 0 HA SER A 91 20.298 6.587 2.294 1.00 2.33 H new ATOM 0 HB2 SER A 91 19.732 9.498 3.013 1.00 14.54 H new ATOM 0 HB3 SER A 91 21.317 8.752 2.976 1.00 14.54 H new ATOM 0 HG SER A 91 20.517 9.954 0.985 1.00 43.20 H new ATOM 1373 N PRO A 92 19.508 5.724 4.650 1.00 31.00 N ATOM 1374 CA PRO A 92 19.653 5.296 6.055 1.00 74.41 C ATOM 1375 C PRO A 92 21.099 5.471 6.549 1.00 14.23 C ATOM 1376 O PRO A 92 21.348 5.626 7.741 1.00 45.23 O ATOM 1377 CB PRO A 92 19.270 3.805 6.022 1.00 42.55 C ATOM 1378 CG PRO A 92 19.414 3.396 4.593 1.00 72.00 C ATOM 1379 CD PRO A 92 19.084 4.612 3.780 1.00 73.01 C ATOM 0 HA PRO A 92 19.035 5.884 6.734 1.00 74.41 H new ATOM 0 HB2 PRO A 92 19.922 3.217 6.668 1.00 42.55 H new ATOM 0 HB3 PRO A 92 18.250 3.652 6.375 1.00 42.55 H new ATOM 0 HG2 PRO A 92 20.427 3.051 4.386 1.00 72.00 H new ATOM 0 HG3 PRO A 92 18.742 2.572 4.353 1.00 72.00 H new ATOM 0 HD2 PRO A 92 19.618 4.618 2.830 1.00 73.01 H new ATOM 0 HD3 PRO A 92 18.020 4.665 3.548 1.00 73.01 H new ATOM 1387 N GLU A 93 22.016 5.433 5.609 1.00 65.45 N ATOM 1388 CA GLU A 93 23.431 5.626 5.846 1.00 1.42 C ATOM 1389 C GLU A 93 23.926 6.578 4.765 1.00 35.11 C ATOM 1390 O GLU A 93 23.674 7.786 4.838 1.00 13.55 O ATOM 1391 CB GLU A 93 24.197 4.300 5.677 1.00 21.40 C ATOM 1392 CG GLU A 93 23.800 3.149 6.581 1.00 71.11 C ATOM 1393 CD GLU A 93 24.498 1.886 6.140 1.00 63.35 C ATOM 1394 OE1 GLU A 93 24.038 1.271 5.160 1.00 35.44 O ATOM 1395 OE2 GLU A 93 25.571 1.539 6.690 1.00 41.02 O ATOM 1396 OXT GLU A 93 24.507 6.100 3.786 1.00 37.26 O ATOM 0 H GLU A 93 21.792 5.262 4.629 1.00 65.45 H new ATOM 0 HA GLU A 93 23.590 6.005 6.856 1.00 1.42 H new ATOM 0 HB2 GLU A 93 24.082 3.973 4.644 1.00 21.40 H new ATOM 0 HB3 GLU A 93 25.257 4.500 5.832 1.00 21.40 H new ATOM 0 HG2 GLU A 93 24.063 3.379 7.614 1.00 71.11 H new ATOM 0 HG3 GLU A 93 22.720 3.007 6.551 1.00 71.11 H new TER 1403 GLU A 93