USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot -65:sc= 1.25 USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 1.06 USER MOD Set 2.1: A 17 HIS : no HE2:sc= 1.6 K(o=2,f=-9.8!) USER MOD Set 2.2: A 65 ASN : amide:sc= -0.535 K(o=2,f=1.5) USER MOD Set 2.3: A 67 TYR OH : rot 51:sc= 0.975 USER MOD Single : A 15 ASN : amide:sc= -2.28 K(o=-2.3,f=-1.3) USER MOD Single : A 21 TYR OH : rot -71:sc= 0.155 USER MOD Single : A 22 GLN : amide:sc= 0.639 K(o=0.64,f=-5!) USER MOD Single : A 23 GLN : amide:sc= -0.0148 K(o=-0.015,f=-0.92) USER MOD Single : A 30 GLN : amide:sc= -0.865 K(o=-0.87,f=-0.13) USER MOD Single : A 33 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 38 GLN : amide:sc= -0.65 K(o=-0.65,f=-0.028) USER MOD Single : A 40 HIS : no HE2:sc= -0.206 K(o=-0.21,f=-2.1) USER MOD Single : A 43 SER OG : rot -81:sc= 1.31 USER MOD Single : A 44 ASN : amide:sc= -0.162 K(o=-0.16,f=-8.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 56 MET CE :methyl -147:sc= -0.24 (180deg=-0.961) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 138:sc= -0.723! (180deg=-3.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.322 K(o=0.32,f=1.2) USER MOD Single : A 85 GLN : amide:sc= -0.0633 X(o=-0.063,f=-0.44) USER MOD Single : A 87 MET CE :methyl -154:sc= -3.62! (180deg=-5.71!) USER MOD Single : A 89 SER OG : rot 71:sc= 1.23 USER MOD Single : A 91 SER OG : rot -141:sc= -1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -3.183 4.091 -0.964 1.00 22.35 N ATOM 2 CA ASP A 14 -2.094 4.881 -1.559 1.00 33.24 C ATOM 3 C ASP A 14 -2.296 4.876 -3.058 1.00 71.05 C ATOM 4 O ASP A 14 -3.285 4.358 -3.533 1.00 62.30 O ATOM 5 CB ASP A 14 -0.750 4.242 -1.235 1.00 22.12 C ATOM 6 CG ASP A 14 -0.615 2.918 -1.920 1.00 42.13 C ATOM 7 OD1 ASP A 14 0.116 2.841 -2.922 1.00 43.21 O ATOM 8 OD2 ASP A 14 -1.313 1.968 -1.515 1.00 60.20 O1- ATOM 0 HA ASP A 14 -2.103 5.897 -1.163 1.00 33.24 H new ATOM 0 HB2 ASP A 14 0.058 4.903 -1.549 1.00 22.12 H new ATOM 0 HB3 ASP A 14 -0.654 4.111 -0.157 1.00 22.12 H new ATOM 13 N ASN A 15 -1.381 5.418 -3.812 1.00 14.14 N ATOM 14 CA ASN A 15 -1.606 5.546 -5.230 1.00 30.21 C ATOM 15 C ASN A 15 -0.322 5.575 -6.031 1.00 64.20 C ATOM 16 O ASN A 15 0.564 6.370 -5.755 1.00 10.22 O ATOM 17 CB ASN A 15 -2.472 6.795 -5.529 1.00 4.04 C ATOM 18 CG ASN A 15 -2.018 8.068 -4.807 1.00 60.21 C ATOM 19 OD1 ASN A 15 -2.504 8.379 -3.715 1.00 71.04 O ATOM 20 ND2 ASN A 15 -1.080 8.785 -5.375 1.00 62.21 N ATOM 0 H ASN A 15 -0.485 5.774 -3.479 1.00 14.14 H new ATOM 0 HA ASN A 15 -2.146 4.653 -5.547 1.00 30.21 H new ATOM 0 HB2 ASN A 15 -2.464 6.979 -6.603 1.00 4.04 H new ATOM 0 HB3 ASN A 15 -3.504 6.582 -5.250 1.00 4.04 H new ATOM 0 HD21 ASN A 15 -0.732 9.626 -4.915 1.00 62.21 H new ATOM 0 HD22 ASN A 15 -0.698 8.502 -6.278 1.00 62.21 H new ATOM 27 N ARG A 16 -0.219 4.697 -7.025 1.00 45.34 N ATOM 28 CA ARG A 16 0.929 4.710 -7.908 1.00 74.31 C ATOM 29 C ARG A 16 0.572 5.187 -9.335 1.00 22.42 C ATOM 30 O ARG A 16 0.830 6.333 -9.659 1.00 72.43 O ATOM 31 CB ARG A 16 1.798 3.432 -7.842 1.00 44.11 C ATOM 32 CG ARG A 16 1.068 2.107 -7.729 1.00 33.21 C ATOM 33 CD ARG A 16 0.568 1.791 -6.296 1.00 41.00 C ATOM 34 NE ARG A 16 0.239 0.378 -6.140 1.00 22.32 N ATOM 35 CZ ARG A 16 -0.313 -0.187 -5.057 1.00 45.15 C ATOM 36 NH1 ARG A 16 -0.476 0.508 -3.934 1.00 14.33 N1+ ATOM 37 NH2 ARG A 16 -0.648 -1.465 -5.087 1.00 2.00 N ATOM 0 H ARG A 16 -0.911 3.978 -7.233 1.00 45.34 H new ATOM 0 HA ARG A 16 1.599 5.475 -7.515 1.00 74.31 H new ATOM 0 HB2 ARG A 16 2.421 3.400 -8.736 1.00 44.11 H new ATOM 0 HB3 ARG A 16 2.469 3.523 -6.988 1.00 44.11 H new ATOM 0 HG2 ARG A 16 0.216 2.113 -8.409 1.00 33.21 H new ATOM 0 HG3 ARG A 16 1.732 1.307 -8.057 1.00 33.21 H new ATOM 0 HD2 ARG A 16 1.335 2.068 -5.573 1.00 41.00 H new ATOM 0 HD3 ARG A 16 -0.311 2.396 -6.075 1.00 41.00 H new ATOM 0 HE ARG A 16 0.448 -0.236 -6.927 1.00 22.32 H new ATOM 0 HH11 ARG A 16 -0.179 1.483 -3.890 1.00 14.33 H new ATOM 0 HH12 ARG A 16 -0.897 0.066 -3.117 1.00 14.33 H new ATOM 0 HH21 ARG A 16 -0.486 -2.015 -5.931 1.00 2.00 H new ATOM 0 HH22 ARG A 16 -1.068 -1.901 -4.267 1.00 2.00 H new ATOM 51 N HIS A 17 -0.071 4.361 -10.166 1.00 54.41 N ATOM 52 CA HIS A 17 -0.636 4.874 -11.444 1.00 13.04 C ATOM 53 C HIS A 17 -1.932 5.554 -11.046 1.00 4.14 C ATOM 54 O HIS A 17 -2.388 6.540 -11.640 1.00 33.35 O ATOM 55 CB HIS A 17 -0.899 3.753 -12.471 1.00 31.23 C ATOM 56 CG HIS A 17 -1.390 4.230 -13.825 1.00 31.15 C ATOM 57 ND1 HIS A 17 -2.687 4.655 -14.089 1.00 42.32 N ATOM 58 CD2 HIS A 17 -0.731 4.328 -15.003 1.00 45.14 C ATOM 59 CE1 HIS A 17 -2.761 4.980 -15.382 1.00 12.04 C ATOM 60 NE2 HIS A 17 -1.606 4.799 -15.981 1.00 1.02 N ATOM 0 H HIS A 17 -0.217 3.366 -9.997 1.00 54.41 H new ATOM 0 HA HIS A 17 0.063 5.549 -11.937 1.00 13.04 H new ATOM 0 HB2 HIS A 17 0.022 3.187 -12.613 1.00 31.23 H new ATOM 0 HB3 HIS A 17 -1.635 3.065 -12.056 1.00 31.23 H new ATOM 0 HD1 HIS A 17 -3.449 4.709 -13.413 1.00 42.32 H new ATOM 0 HD2 HIS A 17 0.308 4.080 -15.161 1.00 45.14 H new ATOM 0 HE1 HIS A 17 -3.653 5.344 -15.871 1.00 12.04 H new ATOM 68 N ALA A 18 -2.501 4.988 -9.983 1.00 41.51 N ATOM 69 CA ALA A 18 -3.629 5.510 -9.217 1.00 4.35 C ATOM 70 C ALA A 18 -3.429 6.962 -8.808 1.00 55.31 C ATOM 71 O ALA A 18 -4.335 7.559 -8.302 1.00 14.43 O ATOM 72 CB ALA A 18 -3.959 4.616 -8.027 1.00 44.10 C ATOM 0 H ALA A 18 -2.166 4.099 -9.612 1.00 41.51 H new ATOM 0 HA ALA A 18 -4.495 5.497 -9.878 1.00 4.35 H new ATOM 0 HB1 ALA A 18 -4.803 5.035 -7.480 1.00 44.10 H new ATOM 0 HB2 ALA A 18 -4.216 3.618 -8.382 1.00 44.10 H new ATOM 0 HB3 ALA A 18 -3.094 4.555 -7.367 1.00 44.10 H new ATOM 78 N ALA A 19 -2.187 7.481 -8.925 1.00 33.12 N ATOM 79 CA ALA A 19 -1.859 8.898 -8.670 1.00 71.31 C ATOM 80 C ALA A 19 -2.870 9.872 -9.311 1.00 24.54 C ATOM 81 O ALA A 19 -2.959 10.991 -8.890 1.00 43.42 O ATOM 82 CB ALA A 19 -0.452 9.218 -9.147 1.00 41.12 C ATOM 0 H ALA A 19 -1.379 6.923 -9.201 1.00 33.12 H new ATOM 0 HA ALA A 19 -1.917 9.039 -7.591 1.00 71.31 H new ATOM 0 HB1 ALA A 19 -0.231 10.267 -8.950 1.00 41.12 H new ATOM 0 HB2 ALA A 19 0.264 8.590 -8.616 1.00 41.12 H new ATOM 0 HB3 ALA A 19 -0.378 9.027 -10.218 1.00 41.12 H new ATOM 88 N ASP A 20 -3.603 9.418 -10.343 1.00 45.42 N ATOM 89 CA ASP A 20 -4.750 10.178 -10.917 1.00 64.03 C ATOM 90 C ASP A 20 -5.703 10.577 -9.787 1.00 13.21 C ATOM 91 O ASP A 20 -6.102 11.721 -9.679 1.00 13.30 O ATOM 92 CB ASP A 20 -5.489 9.294 -11.949 1.00 23.42 C ATOM 93 CG ASP A 20 -6.784 9.891 -12.539 1.00 31.55 C ATOM 94 OD1 ASP A 20 -6.740 10.911 -13.233 1.00 24.11 O ATOM 95 OD2 ASP A 20 -7.858 9.272 -12.396 1.00 33.43 O1- ATOM 0 H ASP A 20 -3.428 8.526 -10.805 1.00 45.42 H new ATOM 0 HA ASP A 20 -4.388 11.077 -11.416 1.00 64.03 H new ATOM 0 HB2 ASP A 20 -4.805 9.077 -12.769 1.00 23.42 H new ATOM 0 HB3 ASP A 20 -5.732 8.342 -11.476 1.00 23.42 H new ATOM 100 N TYR A 21 -5.941 9.624 -8.863 1.00 24.43 N ATOM 101 CA TYR A 21 -6.820 9.811 -7.699 1.00 0.13 C ATOM 102 C TYR A 21 -6.333 10.950 -6.841 1.00 11.22 C ATOM 103 O TYR A 21 -7.112 11.545 -6.099 1.00 35.13 O ATOM 104 CB TYR A 21 -6.876 8.539 -6.831 1.00 64.22 C ATOM 105 CG TYR A 21 -7.867 8.614 -5.682 1.00 73.43 C ATOM 106 CD1 TYR A 21 -7.457 8.803 -4.359 1.00 31.22 C ATOM 107 CD2 TYR A 21 -9.217 8.506 -5.928 1.00 12.03 C ATOM 108 CE1 TYR A 21 -8.378 8.876 -3.341 1.00 2.12 C ATOM 109 CE2 TYR A 21 -10.133 8.582 -4.914 1.00 43.14 C ATOM 110 CZ TYR A 21 -9.713 8.767 -3.624 1.00 75.14 C ATOM 111 OH TYR A 21 -10.630 8.842 -2.610 1.00 32.32 O ATOM 0 H TYR A 21 -5.522 8.695 -8.908 1.00 24.43 H new ATOM 0 HA TYR A 21 -7.816 10.032 -8.083 1.00 0.13 H new ATOM 0 HB2 TYR A 21 -7.135 7.691 -7.465 1.00 64.22 H new ATOM 0 HB3 TYR A 21 -5.882 8.344 -6.427 1.00 64.22 H new ATOM 0 HD1 TYR A 21 -6.405 8.893 -4.134 1.00 31.22 H new ATOM 0 HD2 TYR A 21 -9.560 8.358 -6.941 1.00 12.03 H new ATOM 0 HE1 TYR A 21 -8.050 9.019 -2.322 1.00 2.12 H new ATOM 0 HE2 TYR A 21 -11.187 8.496 -5.131 1.00 43.14 H new ATOM 0 HH TYR A 21 -10.578 8.031 -2.062 1.00 32.32 H new ATOM 121 N GLN A 22 -5.049 11.248 -6.928 1.00 1.32 N ATOM 122 CA GLN A 22 -4.503 12.354 -6.174 1.00 54.04 C ATOM 123 C GLN A 22 -5.183 13.645 -6.493 1.00 2.21 C ATOM 124 O GLN A 22 -5.555 14.341 -5.604 1.00 14.24 O ATOM 125 CB GLN A 22 -3.002 12.515 -6.278 1.00 4.12 C ATOM 126 CG GLN A 22 -2.239 11.932 -5.113 1.00 20.12 C ATOM 127 CD GLN A 22 -2.779 12.419 -3.770 1.00 73.30 C ATOM 128 OE1 GLN A 22 -3.614 11.749 -3.132 1.00 71.24 O ATOM 129 NE2 GLN A 22 -2.438 13.622 -3.406 1.00 31.35 N ATOM 0 H GLN A 22 -4.375 10.745 -7.506 1.00 1.32 H new ATOM 0 HA GLN A 22 -4.708 12.089 -5.137 1.00 54.04 H new ATOM 0 HB2 GLN A 22 -2.659 12.041 -7.197 1.00 4.12 H new ATOM 0 HB3 GLN A 22 -2.766 13.576 -6.359 1.00 4.12 H new ATOM 0 HG2 GLN A 22 -2.294 10.844 -5.152 1.00 20.12 H new ATOM 0 HG3 GLN A 22 -1.186 12.201 -5.199 1.00 20.12 H new ATOM 0 HE21 GLN A 22 -1.751 14.144 -3.950 1.00 31.35 H new ATOM 0 HE22 GLN A 22 -2.858 14.042 -2.577 1.00 31.35 H new ATOM 138 N GLN A 23 -5.429 13.926 -7.745 1.00 73.51 N ATOM 139 CA GLN A 23 -6.088 15.171 -8.087 1.00 4.34 C ATOM 140 C GLN A 23 -7.562 15.186 -7.722 1.00 72.54 C ATOM 141 O GLN A 23 -8.170 16.247 -7.564 1.00 20.34 O ATOM 142 CB GLN A 23 -5.766 15.681 -9.496 1.00 32.15 C ATOM 143 CG GLN A 23 -4.363 16.292 -9.558 1.00 55.13 C ATOM 144 CD GLN A 23 -3.243 15.278 -9.361 1.00 73.35 C ATOM 145 OE1 GLN A 23 -3.336 14.139 -9.815 1.00 1.02 O ATOM 146 NE2 GLN A 23 -2.284 15.622 -8.553 1.00 31.22 N ATOM 0 H GLN A 23 -5.191 13.327 -8.536 1.00 73.51 H new ATOM 0 HA GLN A 23 -5.641 15.925 -7.440 1.00 4.34 H new ATOM 0 HB2 GLN A 23 -5.839 14.859 -10.208 1.00 32.15 H new ATOM 0 HB3 GLN A 23 -6.503 16.427 -9.793 1.00 32.15 H new ATOM 0 HG2 GLN A 23 -4.232 16.781 -10.523 1.00 55.13 H new ATOM 0 HG3 GLN A 23 -4.279 17.065 -8.794 1.00 55.13 H new ATOM 0 HE21 GLN A 23 -2.236 16.576 -8.195 1.00 31.22 H new ATOM 0 HE22 GLN A 23 -1.579 14.938 -8.278 1.00 31.22 H new ATOM 155 N LEU A 24 -8.128 14.006 -7.541 1.00 24.52 N ATOM 156 CA LEU A 24 -9.473 13.883 -7.001 1.00 4.21 C ATOM 157 C LEU A 24 -9.403 14.200 -5.498 1.00 0.31 C ATOM 158 O LEU A 24 -10.287 14.834 -4.932 1.00 71.11 O ATOM 159 CB LEU A 24 -10.063 12.434 -7.297 1.00 34.21 C ATOM 160 CG LEU A 24 -11.456 12.053 -6.738 1.00 11.15 C ATOM 161 CD1 LEU A 24 -11.950 10.807 -7.438 1.00 22.32 C ATOM 162 CD2 LEU A 24 -11.424 11.782 -5.238 1.00 4.21 C ATOM 0 H LEU A 24 -7.678 13.117 -7.760 1.00 24.52 H new ATOM 0 HA LEU A 24 -10.155 14.587 -7.479 1.00 4.21 H new ATOM 0 HB2 LEU A 24 -10.100 12.310 -8.379 1.00 34.21 H new ATOM 0 HB3 LEU A 24 -9.347 11.705 -6.917 1.00 34.21 H new ATOM 0 HG LEU A 24 -12.120 12.898 -6.917 1.00 11.15 H new ATOM 0 HD11 LEU A 24 -12.931 10.535 -7.048 1.00 22.32 H new ATOM 0 HD12 LEU A 24 -12.026 10.997 -8.509 1.00 22.32 H new ATOM 0 HD13 LEU A 24 -11.250 9.990 -7.263 1.00 22.32 H new ATOM 0 HD21 LEU A 24 -12.424 11.519 -4.894 1.00 4.21 H new ATOM 0 HD22 LEU A 24 -10.741 10.958 -5.032 1.00 4.21 H new ATOM 0 HD23 LEU A 24 -11.083 12.675 -4.714 1.00 4.21 H new ATOM 174 N ARG A 25 -8.284 13.850 -4.907 1.00 43.02 N ATOM 175 CA ARG A 25 -8.071 13.939 -3.484 1.00 34.12 C ATOM 176 C ARG A 25 -7.656 15.335 -3.093 1.00 4.04 C ATOM 177 O ARG A 25 -8.147 15.897 -2.115 1.00 75.05 O ATOM 178 CB ARG A 25 -7.004 12.942 -3.082 1.00 72.15 C ATOM 179 CG ARG A 25 -6.712 12.957 -1.623 1.00 30.43 C ATOM 180 CD ARG A 25 -6.778 11.585 -1.072 1.00 54.10 C ATOM 181 NE ARG A 25 -5.691 10.701 -1.519 1.00 3.21 N ATOM 182 CZ ARG A 25 -5.582 9.434 -1.108 1.00 70.55 C ATOM 183 NH1 ARG A 25 -6.589 8.888 -0.447 1.00 61.54 N1+ ATOM 184 NH2 ARG A 25 -4.514 8.695 -1.407 1.00 55.25 N ATOM 0 H ARG A 25 -7.478 13.487 -5.416 1.00 43.02 H new ATOM 0 HA ARG A 25 -9.002 13.709 -2.966 1.00 34.12 H new ATOM 0 HB2 ARG A 25 -7.322 11.941 -3.373 1.00 72.15 H new ATOM 0 HB3 ARG A 25 -6.088 13.157 -3.632 1.00 72.15 H new ATOM 0 HG2 ARG A 25 -5.723 13.379 -1.448 1.00 30.43 H new ATOM 0 HG3 ARG A 25 -7.428 13.598 -1.108 1.00 30.43 H new ATOM 0 HD2 ARG A 25 -6.760 11.642 0.016 1.00 54.10 H new ATOM 0 HD3 ARG A 25 -7.732 11.139 -1.352 1.00 54.10 H new ATOM 0 HE ARG A 25 -4.994 11.069 -2.167 1.00 3.21 H new ATOM 0 HH11 ARG A 25 -7.431 9.433 -0.259 1.00 61.54 H new ATOM 0 HH12 ARG A 25 -6.524 7.922 -0.125 1.00 61.54 H new ATOM 0 HH21 ARG A 25 -3.756 9.094 -1.961 1.00 55.25 H new ATOM 0 HH22 ARG A 25 -4.454 7.730 -1.082 1.00 55.25 H new ATOM 198 N GLU A 26 -6.750 15.867 -3.857 1.00 64.34 N ATOM 199 CA GLU A 26 -6.266 17.205 -3.721 1.00 24.35 C ATOM 200 C GLU A 26 -7.413 18.179 -3.910 1.00 23.22 C ATOM 201 O GLU A 26 -7.486 19.213 -3.237 1.00 65.55 O ATOM 202 CB GLU A 26 -5.128 17.416 -4.716 1.00 3.23 C ATOM 203 CG GLU A 26 -3.850 16.678 -4.302 1.00 73.45 C ATOM 204 CD GLU A 26 -2.798 16.557 -5.399 1.00 13.42 C ATOM 205 OE1 GLU A 26 -1.959 15.615 -5.306 1.00 62.21 O ATOM 206 OE2 GLU A 26 -2.817 17.357 -6.362 1.00 74.15 O1- ATOM 0 H GLU A 26 -6.310 15.358 -4.624 1.00 64.34 H new ATOM 0 HA GLU A 26 -5.866 17.383 -2.723 1.00 24.35 H new ATOM 0 HB2 GLU A 26 -5.441 17.071 -5.701 1.00 3.23 H new ATOM 0 HB3 GLU A 26 -4.917 18.482 -4.803 1.00 3.23 H new ATOM 0 HG2 GLU A 26 -3.408 17.195 -3.450 1.00 73.45 H new ATOM 0 HG3 GLU A 26 -4.118 15.677 -3.963 1.00 73.45 H new ATOM 213 N ARG A 27 -8.349 17.826 -4.789 1.00 53.40 N ATOM 214 CA ARG A 27 -9.533 18.605 -4.898 1.00 73.34 C ATOM 215 C ARG A 27 -10.439 18.372 -3.682 1.00 34.41 C ATOM 216 O ARG A 27 -10.967 19.322 -3.146 1.00 25.24 O ATOM 217 CB ARG A 27 -10.300 18.416 -6.217 1.00 15.11 C ATOM 218 CG ARG A 27 -11.583 19.215 -6.193 1.00 72.43 C ATOM 219 CD ARG A 27 -12.376 19.230 -7.476 1.00 70.34 C ATOM 220 NE ARG A 27 -13.653 19.877 -7.185 1.00 23.43 N ATOM 221 CZ ARG A 27 -14.143 20.989 -7.712 1.00 42.23 C ATOM 222 NH1 ARG A 27 -13.596 21.525 -8.809 1.00 10.13 N1+ ATOM 223 NH2 ARG A 27 -15.205 21.563 -7.132 1.00 15.15 N ATOM 0 H ARG A 27 -8.294 17.021 -5.413 1.00 53.40 H new ATOM 0 HA ARG A 27 -9.209 19.646 -4.912 1.00 73.34 H new ATOM 0 HB2 ARG A 27 -9.680 18.734 -7.055 1.00 15.11 H new ATOM 0 HB3 ARG A 27 -10.523 17.360 -6.368 1.00 15.11 H new ATOM 0 HG2 ARG A 27 -12.219 18.820 -5.401 1.00 72.43 H new ATOM 0 HG3 ARG A 27 -11.342 20.244 -5.926 1.00 72.43 H new ATOM 0 HD2 ARG A 27 -11.839 19.772 -8.254 1.00 70.34 H new ATOM 0 HD3 ARG A 27 -12.533 18.216 -7.843 1.00 70.34 H new ATOM 0 HE ARG A 27 -14.240 19.415 -6.490 1.00 23.43 H new ATOM 0 HH11 ARG A 27 -12.792 21.077 -9.249 1.00 10.13 H new ATOM 0 HH12 ARG A 27 -13.983 22.382 -9.205 1.00 10.13 H new ATOM 0 HH21 ARG A 27 -15.621 21.143 -6.300 1.00 15.15 H new ATOM 0 HH22 ARG A 27 -15.598 22.420 -7.522 1.00 15.15 H new ATOM 237 N LEU A 28 -10.581 17.108 -3.233 1.00 12.13 N ATOM 238 CA LEU A 28 -11.394 16.782 -2.035 1.00 64.14 C ATOM 239 C LEU A 28 -11.016 17.593 -0.808 1.00 15.51 C ATOM 240 O LEU A 28 -11.895 17.993 -0.028 1.00 62.24 O ATOM 241 CB LEU A 28 -11.444 15.269 -1.709 1.00 41.34 C ATOM 242 CG LEU A 28 -12.501 14.469 -2.479 1.00 52.21 C ATOM 243 CD1 LEU A 28 -12.466 13.016 -2.076 1.00 32.03 C ATOM 244 CD2 LEU A 28 -13.892 15.040 -2.219 1.00 63.05 C ATOM 0 H LEU A 28 -10.147 16.298 -3.676 1.00 12.13 H new ATOM 0 HA LEU A 28 -12.405 17.077 -2.314 1.00 64.14 H new ATOM 0 HB2 LEU A 28 -10.464 14.837 -1.914 1.00 41.34 H new ATOM 0 HB3 LEU A 28 -11.628 15.150 -0.641 1.00 41.34 H new ATOM 0 HG LEU A 28 -12.276 14.545 -3.543 1.00 52.21 H new ATOM 0 HD11 LEU A 28 -13.224 12.465 -2.634 1.00 32.03 H new ATOM 0 HD12 LEU A 28 -11.482 12.601 -2.294 1.00 32.03 H new ATOM 0 HD13 LEU A 28 -12.667 12.930 -1.008 1.00 32.03 H new ATOM 0 HD21 LEU A 28 -14.632 14.462 -2.772 1.00 63.05 H new ATOM 0 HD22 LEU A 28 -14.113 14.987 -1.153 1.00 63.05 H new ATOM 0 HD23 LEU A 28 -13.926 16.079 -2.546 1.00 63.05 H new ATOM 256 N ILE A 29 -9.730 17.853 -0.659 1.00 34.12 N ATOM 257 CA ILE A 29 -9.223 18.687 0.419 1.00 25.11 C ATOM 258 C ILE A 29 -9.870 20.080 0.372 1.00 13.34 C ATOM 259 O ILE A 29 -10.357 20.580 1.367 1.00 3.50 O ATOM 260 CB ILE A 29 -7.662 18.789 0.363 1.00 11.40 C ATOM 261 CG1 ILE A 29 -7.055 17.404 0.626 1.00 54.34 C ATOM 262 CG2 ILE A 29 -7.122 19.822 1.355 1.00 13.20 C ATOM 263 CD1 ILE A 29 -5.543 17.350 0.615 1.00 24.13 C ATOM 0 H ILE A 29 -9.006 17.493 -1.281 1.00 34.12 H new ATOM 0 HA ILE A 29 -9.490 18.220 1.367 1.00 25.11 H new ATOM 0 HB ILE A 29 -7.373 19.129 -0.631 1.00 11.40 H new ATOM 0 HG12 ILE A 29 -7.408 17.048 1.594 1.00 54.34 H new ATOM 0 HG13 ILE A 29 -7.433 16.711 -0.126 1.00 54.34 H new ATOM 0 HG21 ILE A 29 -6.035 19.861 1.284 1.00 13.20 H new ATOM 0 HG22 ILE A 29 -7.537 20.803 1.121 1.00 13.20 H new ATOM 0 HG23 ILE A 29 -7.409 19.539 2.368 1.00 13.20 H new ATOM 0 HD11 ILE A 29 -5.214 16.329 0.811 1.00 24.13 H new ATOM 0 HD12 ILE A 29 -5.175 17.670 -0.360 1.00 24.13 H new ATOM 0 HD13 ILE A 29 -5.150 18.012 1.386 1.00 24.13 H new ATOM 275 N GLN A 30 -9.943 20.659 -0.800 1.00 22.41 N ATOM 276 CA GLN A 30 -10.523 21.974 -0.940 1.00 53.12 C ATOM 277 C GLN A 30 -12.053 21.904 -1.014 1.00 43.14 C ATOM 278 O GLN A 30 -12.741 22.757 -0.467 1.00 32.21 O ATOM 279 CB GLN A 30 -9.952 22.675 -2.164 1.00 1.23 C ATOM 280 CG GLN A 30 -10.412 24.118 -2.301 1.00 10.44 C ATOM 281 CD GLN A 30 -10.097 24.988 -1.081 1.00 11.03 C ATOM 282 OE1 GLN A 30 -10.824 25.915 -0.773 1.00 33.21 O ATOM 283 NE2 GLN A 30 -9.007 24.711 -0.400 1.00 15.00 N ATOM 0 H GLN A 30 -9.610 20.243 -1.670 1.00 22.41 H new ATOM 0 HA GLN A 30 -10.264 22.555 -0.055 1.00 53.12 H new ATOM 0 HB2 GLN A 30 -8.863 22.651 -2.113 1.00 1.23 H new ATOM 0 HB3 GLN A 30 -10.241 22.123 -3.058 1.00 1.23 H new ATOM 0 HG2 GLN A 30 -9.940 24.558 -3.180 1.00 10.44 H new ATOM 0 HG3 GLN A 30 -11.488 24.131 -2.476 1.00 10.44 H new ATOM 0 HE21 GLN A 30 -8.416 23.928 -0.680 1.00 15.00 H new ATOM 0 HE22 GLN A 30 -8.753 25.279 0.408 1.00 15.00 H new ATOM 292 N GLU A 31 -12.550 20.839 -1.635 1.00 44.23 N ATOM 293 CA GLU A 31 -13.977 20.604 -1.898 1.00 30.44 C ATOM 294 C GLU A 31 -14.826 20.803 -0.638 1.00 73.35 C ATOM 295 O GLU A 31 -15.868 21.464 -0.678 1.00 34.12 O ATOM 296 CB GLU A 31 -14.171 19.183 -2.385 1.00 52.15 C ATOM 297 CG GLU A 31 -15.510 18.913 -3.044 1.00 52.10 C ATOM 298 CD GLU A 31 -15.520 19.308 -4.502 1.00 52.15 C ATOM 299 OE1 GLU A 31 -14.936 18.580 -5.301 1.00 1.14 O ATOM 300 OE2 GLU A 31 -16.165 20.291 -4.903 1.00 54.54 O1- ATOM 0 H GLU A 31 -11.955 20.087 -1.983 1.00 44.23 H new ATOM 0 HA GLU A 31 -14.297 21.323 -2.652 1.00 30.44 H new ATOM 0 HB2 GLU A 31 -13.378 18.946 -3.095 1.00 52.15 H new ATOM 0 HB3 GLU A 31 -14.055 18.505 -1.539 1.00 52.15 H new ATOM 0 HG2 GLU A 31 -15.749 17.853 -2.955 1.00 52.10 H new ATOM 0 HG3 GLU A 31 -16.290 19.461 -2.516 1.00 52.10 H new ATOM 307 N LEU A 32 -14.419 20.172 0.458 1.00 40.25 N ATOM 308 CA LEU A 32 -15.126 20.357 1.715 1.00 73.43 C ATOM 309 C LEU A 32 -14.292 21.135 2.733 1.00 12.00 C ATOM 310 O LEU A 32 -14.661 21.205 3.896 1.00 43.02 O ATOM 311 CB LEU A 32 -15.519 19.010 2.293 1.00 15.24 C ATOM 312 CG LEU A 32 -16.518 18.192 1.502 1.00 0.55 C ATOM 313 CD1 LEU A 32 -16.644 16.826 2.122 1.00 15.41 C ATOM 314 CD2 LEU A 32 -17.870 18.882 1.470 1.00 60.11 C ATOM 0 H LEU A 32 -13.619 19.540 0.501 1.00 40.25 H new ATOM 0 HA LEU A 32 -16.021 20.943 1.504 1.00 73.43 H new ATOM 0 HB2 LEU A 32 -14.614 18.415 2.414 1.00 15.24 H new ATOM 0 HB3 LEU A 32 -15.928 19.175 3.290 1.00 15.24 H new ATOM 0 HG LEU A 32 -16.165 18.094 0.476 1.00 0.55 H new ATOM 0 HD11 LEU A 32 -17.363 16.234 1.555 1.00 15.41 H new ATOM 0 HD12 LEU A 32 -15.674 16.329 2.109 1.00 15.41 H new ATOM 0 HD13 LEU A 32 -16.987 16.924 3.152 1.00 15.41 H new ATOM 0 HD21 LEU A 32 -18.573 18.278 0.897 1.00 60.11 H new ATOM 0 HD22 LEU A 32 -18.241 19.003 2.488 1.00 60.11 H new ATOM 0 HD23 LEU A 32 -17.768 19.861 1.002 1.00 60.11 H new ATOM 326 N ASN A 33 -13.175 21.728 2.274 1.00 23.42 N ATOM 327 CA ASN A 33 -12.242 22.487 3.166 1.00 5.10 C ATOM 328 C ASN A 33 -11.685 21.591 4.271 1.00 51.24 C ATOM 329 O ASN A 33 -11.431 22.028 5.399 1.00 35.23 O ATOM 330 CB ASN A 33 -12.896 23.761 3.771 1.00 4.45 C ATOM 331 CG ASN A 33 -12.888 24.992 2.852 1.00 22.14 C ATOM 332 OD1 ASN A 33 -12.834 26.120 3.327 1.00 43.01 O ATOM 333 ND2 ASN A 33 -12.948 24.801 1.551 1.00 22.43 N ATOM 0 H ASN A 33 -12.886 21.704 1.296 1.00 23.42 H new ATOM 0 HA ASN A 33 -11.416 22.820 2.538 1.00 5.10 H new ATOM 0 HB2 ASN A 33 -13.928 23.531 4.036 1.00 4.45 H new ATOM 0 HB3 ASN A 33 -12.378 24.013 4.696 1.00 4.45 H new ATOM 0 HD21 ASN A 33 -12.950 25.601 0.918 1.00 22.43 H new ATOM 0 HD22 ASN A 33 -12.992 23.853 1.176 1.00 22.43 H new ATOM 340 N LEU A 34 -11.418 20.359 3.909 1.00 3.00 N ATOM 341 CA LEU A 34 -10.935 19.375 4.831 1.00 32.24 C ATOM 342 C LEU A 34 -9.448 19.591 5.016 1.00 41.42 C ATOM 343 O LEU A 34 -8.711 19.705 4.054 1.00 1.30 O ATOM 344 CB LEU A 34 -11.197 17.964 4.257 1.00 52.52 C ATOM 345 CG LEU A 34 -12.647 17.694 3.846 1.00 64.24 C ATOM 346 CD1 LEU A 34 -12.796 16.408 3.019 1.00 74.45 C ATOM 347 CD2 LEU A 34 -13.564 17.653 5.056 1.00 10.31 C ATOM 0 H LEU A 34 -11.533 20.014 2.956 1.00 3.00 H new ATOM 0 HA LEU A 34 -11.446 19.464 5.790 1.00 32.24 H new ATOM 0 HB2 LEU A 34 -10.555 17.816 3.389 1.00 52.52 H new ATOM 0 HB3 LEU A 34 -10.902 17.224 5.001 1.00 52.52 H new ATOM 0 HG LEU A 34 -12.945 18.526 3.208 1.00 64.24 H new ATOM 0 HD11 LEU A 34 -13.844 16.265 2.754 1.00 74.45 H new ATOM 0 HD12 LEU A 34 -12.200 16.489 2.110 1.00 74.45 H new ATOM 0 HD13 LEU A 34 -12.450 15.556 3.605 1.00 74.45 H new ATOM 0 HD21 LEU A 34 -14.586 17.460 4.731 1.00 10.31 H new ATOM 0 HD22 LEU A 34 -13.241 16.860 5.730 1.00 10.31 H new ATOM 0 HD23 LEU A 34 -13.523 18.610 5.576 1.00 10.31 H new ATOM 359 N THR A 35 -9.019 19.663 6.238 1.00 32.10 N ATOM 360 CA THR A 35 -7.634 19.814 6.552 1.00 60.40 C ATOM 361 C THR A 35 -6.945 18.479 6.217 1.00 62.14 C ATOM 362 O THR A 35 -7.574 17.449 6.363 1.00 23.12 O ATOM 363 CB THR A 35 -7.548 20.075 8.066 1.00 10.51 C ATOM 364 OG1 THR A 35 -8.636 20.938 8.432 1.00 43.25 O ATOM 365 CG2 THR A 35 -6.235 20.745 8.449 1.00 55.55 C ATOM 0 H THR A 35 -9.629 19.618 7.054 1.00 32.10 H new ATOM 0 HA THR A 35 -7.162 20.627 5.999 1.00 60.40 H new ATOM 0 HB THR A 35 -7.601 19.120 8.589 1.00 10.51 H new ATOM 0 HG1 THR A 35 -8.602 21.117 9.395 1.00 43.25 H new ATOM 0 HG21 THR A 35 -6.213 20.913 9.526 1.00 55.55 H new ATOM 0 HG22 THR A 35 -5.402 20.102 8.164 1.00 55.55 H new ATOM 0 HG23 THR A 35 -6.149 21.700 7.931 1.00 55.55 H new ATOM 373 N PRO A 36 -5.676 18.462 5.748 1.00 52.43 N ATOM 374 CA PRO A 36 -4.944 17.192 5.458 1.00 75.41 C ATOM 375 C PRO A 36 -4.843 16.268 6.692 1.00 44.22 C ATOM 376 O PRO A 36 -4.551 15.098 6.577 1.00 13.10 O ATOM 377 CB PRO A 36 -3.548 17.667 5.019 1.00 21.24 C ATOM 378 CG PRO A 36 -3.468 19.105 5.421 1.00 72.54 C ATOM 379 CD PRO A 36 -4.871 19.636 5.379 1.00 2.43 C ATOM 0 HA PRO A 36 -5.458 16.595 4.705 1.00 75.41 H new ATOM 0 HB2 PRO A 36 -2.765 17.081 5.501 1.00 21.24 H new ATOM 0 HB3 PRO A 36 -3.415 17.553 3.943 1.00 21.24 H new ATOM 0 HG2 PRO A 36 -3.044 19.206 6.420 1.00 72.54 H new ATOM 0 HG3 PRO A 36 -2.821 19.662 4.743 1.00 72.54 H new ATOM 0 HD2 PRO A 36 -5.013 20.460 6.079 1.00 2.43 H new ATOM 0 HD3 PRO A 36 -5.132 20.010 4.389 1.00 2.43 H new ATOM 387 N GLN A 37 -5.093 16.832 7.861 1.00 61.12 N ATOM 388 CA GLN A 37 -5.123 16.080 9.108 1.00 23.11 C ATOM 389 C GLN A 37 -6.450 15.321 9.221 1.00 72.03 C ATOM 390 O GLN A 37 -6.558 14.340 9.933 1.00 74.23 O ATOM 391 CB GLN A 37 -4.966 17.037 10.282 1.00 51.45 C ATOM 392 CG GLN A 37 -3.664 17.818 10.262 1.00 40.21 C ATOM 393 CD GLN A 37 -3.609 18.871 11.339 1.00 64.14 C ATOM 394 OE1 GLN A 37 -4.015 19.998 11.125 1.00 51.42 O ATOM 395 NE2 GLN A 37 -3.113 18.516 12.493 1.00 72.25 N ATOM 0 H GLN A 37 -5.282 17.828 7.975 1.00 61.12 H new ATOM 0 HA GLN A 37 -4.303 15.362 9.121 1.00 23.11 H new ATOM 0 HB2 GLN A 37 -5.800 17.738 10.282 1.00 51.45 H new ATOM 0 HB3 GLN A 37 -5.026 16.471 11.212 1.00 51.45 H new ATOM 0 HG2 GLN A 37 -2.828 17.129 10.388 1.00 40.21 H new ATOM 0 HG3 GLN A 37 -3.543 18.292 9.288 1.00 40.21 H new ATOM 0 HE21 GLN A 37 -2.783 17.561 12.634 1.00 72.25 H new ATOM 0 HE22 GLN A 37 -3.056 19.193 13.254 1.00 72.25 H new ATOM 404 N GLN A 38 -7.454 15.813 8.512 1.00 34.20 N ATOM 405 CA GLN A 38 -8.749 15.199 8.465 1.00 62.11 C ATOM 406 C GLN A 38 -8.822 14.309 7.245 1.00 40.30 C ATOM 407 O GLN A 38 -9.286 13.176 7.304 1.00 33.24 O ATOM 408 CB GLN A 38 -9.845 16.283 8.381 1.00 32.40 C ATOM 409 CG GLN A 38 -11.239 15.723 8.234 1.00 41.33 C ATOM 410 CD GLN A 38 -12.328 16.770 8.389 1.00 74.44 C ATOM 411 OE1 GLN A 38 -13.417 16.471 8.819 1.00 45.42 O ATOM 412 NE2 GLN A 38 -12.030 18.004 8.056 1.00 23.32 N ATOM 0 H GLN A 38 -7.380 16.661 7.950 1.00 34.20 H new ATOM 0 HA GLN A 38 -8.907 14.609 9.368 1.00 62.11 H new ATOM 0 HB2 GLN A 38 -9.803 16.900 9.278 1.00 32.40 H new ATOM 0 HB3 GLN A 38 -9.634 16.936 7.535 1.00 32.40 H new ATOM 0 HG2 GLN A 38 -11.333 15.254 7.255 1.00 41.33 H new ATOM 0 HG3 GLN A 38 -11.389 14.941 8.978 1.00 41.33 H new ATOM 0 HE21 GLN A 38 -11.102 18.225 7.696 1.00 23.32 H new ATOM 0 HE22 GLN A 38 -12.727 18.742 8.157 1.00 23.32 H new ATOM 421 N LEU A 39 -8.327 14.826 6.151 1.00 71.52 N ATOM 422 CA LEU A 39 -8.398 14.163 4.893 1.00 43.43 C ATOM 423 C LEU A 39 -7.214 13.193 4.740 1.00 50.44 C ATOM 424 O LEU A 39 -6.198 13.488 4.123 1.00 43.14 O ATOM 425 CB LEU A 39 -8.522 15.222 3.760 1.00 12.14 C ATOM 426 CG LEU A 39 -9.024 14.773 2.381 1.00 20.44 C ATOM 427 CD1 LEU A 39 -7.951 14.071 1.585 1.00 12.14 C ATOM 428 CD2 LEU A 39 -10.249 13.883 2.520 1.00 74.33 C ATOM 0 H LEU A 39 -7.859 15.732 6.117 1.00 71.52 H new ATOM 0 HA LEU A 39 -9.290 13.541 4.826 1.00 43.43 H new ATOM 0 HB2 LEU A 39 -9.189 16.008 4.114 1.00 12.14 H new ATOM 0 HB3 LEU A 39 -7.540 15.675 3.623 1.00 12.14 H new ATOM 0 HG LEU A 39 -9.300 15.673 1.832 1.00 20.44 H new ATOM 0 HD11 LEU A 39 -8.353 13.772 0.617 1.00 12.14 H new ATOM 0 HD12 LEU A 39 -7.109 14.746 1.435 1.00 12.14 H new ATOM 0 HD13 LEU A 39 -7.615 13.187 2.127 1.00 12.14 H new ATOM 0 HD21 LEU A 39 -10.589 13.575 1.531 1.00 74.33 H new ATOM 0 HD22 LEU A 39 -9.993 13.001 3.106 1.00 74.33 H new ATOM 0 HD23 LEU A 39 -11.044 14.434 3.022 1.00 74.33 H new ATOM 440 N HIS A 40 -7.356 12.091 5.419 1.00 24.51 N ATOM 441 CA HIS A 40 -6.420 10.980 5.423 1.00 35.51 C ATOM 442 C HIS A 40 -7.156 9.826 4.737 1.00 54.13 C ATOM 443 O HIS A 40 -8.364 9.925 4.587 1.00 14.15 O ATOM 444 CB HIS A 40 -6.110 10.630 6.896 1.00 73.31 C ATOM 445 CG HIS A 40 -4.976 9.667 7.126 1.00 42.41 C ATOM 446 ND1 HIS A 40 -5.133 8.319 7.356 1.00 63.34 N ATOM 447 CD2 HIS A 40 -3.644 9.901 7.227 1.00 23.30 C ATOM 448 CE1 HIS A 40 -3.949 7.792 7.594 1.00 72.32 C ATOM 449 NE2 HIS A 40 -2.995 8.706 7.527 1.00 62.43 N ATOM 0 H HIS A 40 -8.165 11.925 6.018 1.00 24.51 H new ATOM 0 HA HIS A 40 -5.482 11.199 4.913 1.00 35.51 H new ATOM 0 HB2 HIS A 40 -5.887 11.555 7.428 1.00 73.31 H new ATOM 0 HB3 HIS A 40 -7.011 10.212 7.346 1.00 73.31 H new ATOM 0 HD1 HIS A 40 -6.018 7.812 7.344 1.00 63.34 H new ATOM 0 HD2 HIS A 40 -3.164 10.860 7.096 1.00 23.30 H new ATOM 0 HE1 HIS A 40 -3.779 6.749 7.815 1.00 72.32 H new ATOM 457 N GLU A 41 -6.459 8.764 4.314 1.00 23.03 N ATOM 458 CA GLU A 41 -7.100 7.605 3.615 1.00 11.42 C ATOM 459 C GLU A 41 -8.388 7.133 4.362 1.00 34.34 C ATOM 460 O GLU A 41 -9.479 7.034 3.779 1.00 52.15 O ATOM 461 CB GLU A 41 -6.091 6.426 3.504 1.00 54.00 C ATOM 462 CG GLU A 41 -4.885 6.649 2.569 1.00 64.43 C ATOM 463 CD GLU A 41 -5.222 6.535 1.084 1.00 22.13 C ATOM 464 OE1 GLU A 41 -6.409 6.595 0.722 1.00 22.44 O ATOM 465 OE2 GLU A 41 -4.283 6.422 0.236 1.00 11.50 O1- ATOM 0 H GLU A 41 -5.451 8.668 4.436 1.00 23.03 H new ATOM 0 HA GLU A 41 -7.388 7.932 2.616 1.00 11.42 H new ATOM 0 HB2 GLU A 41 -5.714 6.202 4.502 1.00 54.00 H new ATOM 0 HB3 GLU A 41 -6.631 5.543 3.162 1.00 54.00 H new ATOM 0 HG2 GLU A 41 -4.467 7.637 2.761 1.00 64.43 H new ATOM 0 HG3 GLU A 41 -4.110 5.922 2.812 1.00 64.43 H new ATOM 472 N GLU A 42 -8.249 6.955 5.646 1.00 5.44 N ATOM 473 CA GLU A 42 -9.294 6.462 6.555 1.00 52.33 C ATOM 474 C GLU A 42 -10.321 7.552 6.985 1.00 31.35 C ATOM 475 O GLU A 42 -10.972 7.415 8.017 1.00 22.54 O ATOM 476 CB GLU A 42 -8.612 5.870 7.821 1.00 13.01 C ATOM 477 CG GLU A 42 -7.819 4.571 7.614 1.00 32.21 C ATOM 478 CD GLU A 42 -6.662 4.745 6.676 1.00 14.45 C ATOM 479 OE1 GLU A 42 -6.019 5.818 6.745 1.00 21.44 O ATOM 480 OE2 GLU A 42 -6.416 3.859 5.855 1.00 71.15 O1- ATOM 0 H GLU A 42 -7.372 7.153 6.127 1.00 5.44 H new ATOM 0 HA GLU A 42 -9.860 5.706 6.010 1.00 52.33 H new ATOM 0 HB2 GLU A 42 -7.938 6.622 8.232 1.00 13.01 H new ATOM 0 HB3 GLU A 42 -9.381 5.687 8.572 1.00 13.01 H new ATOM 0 HG2 GLU A 42 -7.451 4.217 8.577 1.00 32.21 H new ATOM 0 HG3 GLU A 42 -8.485 3.801 7.225 1.00 32.21 H new ATOM 487 N SER A 43 -10.493 8.594 6.198 1.00 44.54 N ATOM 488 CA SER A 43 -11.459 9.633 6.542 1.00 22.14 C ATOM 489 C SER A 43 -12.863 9.264 6.055 1.00 55.32 C ATOM 490 O SER A 43 -13.041 8.864 4.894 1.00 4.33 O ATOM 491 CB SER A 43 -11.031 10.983 5.961 1.00 54.44 C ATOM 492 OG SER A 43 -10.790 10.890 4.565 1.00 22.23 O ATOM 0 H SER A 43 -9.987 8.749 5.326 1.00 44.54 H new ATOM 0 HA SER A 43 -11.487 9.715 7.629 1.00 22.14 H new ATOM 0 HB2 SER A 43 -11.807 11.725 6.150 1.00 54.44 H new ATOM 0 HB3 SER A 43 -10.129 11.329 6.466 1.00 54.44 H new ATOM 0 HG SER A 43 -9.896 10.519 4.411 1.00 22.23 H new ATOM 498 N ASN A 44 -13.851 9.373 6.937 1.00 51.10 N ATOM 499 CA ASN A 44 -15.227 9.094 6.558 1.00 33.12 C ATOM 500 C ASN A 44 -15.784 10.288 5.814 1.00 11.43 C ATOM 501 O ASN A 44 -16.178 11.290 6.406 1.00 70.12 O ATOM 502 CB ASN A 44 -16.111 8.737 7.773 1.00 33.35 C ATOM 503 CG ASN A 44 -17.534 8.283 7.394 1.00 5.25 C ATOM 504 OD1 ASN A 44 -18.123 8.718 6.398 1.00 54.52 O ATOM 505 ND2 ASN A 44 -18.093 7.406 8.190 1.00 42.01 N ATOM 0 H ASN A 44 -13.724 9.650 7.910 1.00 51.10 H new ATOM 0 HA ASN A 44 -15.234 8.218 5.909 1.00 33.12 H new ATOM 0 HB2 ASN A 44 -15.626 7.944 8.343 1.00 33.35 H new ATOM 0 HB3 ASN A 44 -16.179 9.605 8.429 1.00 33.35 H new ATOM 0 HD21 ASN A 44 -19.035 7.067 7.994 1.00 42.01 H new ATOM 0 HD22 ASN A 44 -17.587 7.062 9.006 1.00 42.01 H new ATOM 512 N LEU A 45 -15.810 10.167 4.522 1.00 23.10 N ATOM 513 CA LEU A 45 -16.225 11.232 3.635 1.00 72.32 C ATOM 514 C LEU A 45 -17.719 11.582 3.718 1.00 64.43 C ATOM 515 O LEU A 45 -18.130 12.665 3.290 1.00 43.31 O ATOM 516 CB LEU A 45 -15.808 10.909 2.221 1.00 62.42 C ATOM 517 CG LEU A 45 -14.305 10.974 1.937 1.00 1.14 C ATOM 518 CD1 LEU A 45 -14.022 10.391 0.586 1.00 24.20 C ATOM 519 CD2 LEU A 45 -13.813 12.425 1.992 1.00 63.40 C ATOM 0 H LEU A 45 -15.540 9.312 4.036 1.00 23.10 H new ATOM 0 HA LEU A 45 -15.714 12.134 3.972 1.00 72.32 H new ATOM 0 HB2 LEU A 45 -16.161 9.907 1.978 1.00 62.42 H new ATOM 0 HB3 LEU A 45 -16.316 11.598 1.546 1.00 62.42 H new ATOM 0 HG LEU A 45 -13.777 10.398 2.698 1.00 1.14 H new ATOM 0 HD11 LEU A 45 -12.952 10.438 0.386 1.00 24.20 H new ATOM 0 HD12 LEU A 45 -14.350 9.352 0.562 1.00 24.20 H new ATOM 0 HD13 LEU A 45 -14.559 10.958 -0.175 1.00 24.20 H new ATOM 0 HD21 LEU A 45 -12.743 12.454 1.788 1.00 63.40 H new ATOM 0 HD22 LEU A 45 -14.341 13.017 1.244 1.00 63.40 H new ATOM 0 HD23 LEU A 45 -14.005 12.837 2.983 1.00 63.40 H new ATOM 531 N ILE A 46 -18.523 10.704 4.280 1.00 32.21 N ATOM 532 CA ILE A 46 -19.940 11.010 4.439 1.00 3.23 C ATOM 533 C ILE A 46 -20.112 11.933 5.638 1.00 31.44 C ATOM 534 O ILE A 46 -20.924 12.845 5.624 1.00 72.13 O ATOM 535 CB ILE A 46 -20.820 9.727 4.579 1.00 31.12 C ATOM 536 CG1 ILE A 46 -20.747 8.879 3.299 1.00 14.21 C ATOM 537 CG2 ILE A 46 -22.276 10.059 4.921 1.00 10.43 C ATOM 538 CD1 ILE A 46 -21.206 9.582 2.045 1.00 12.43 C ATOM 0 H ILE A 46 -18.234 9.790 4.630 1.00 32.21 H new ATOM 0 HA ILE A 46 -20.288 11.510 3.535 1.00 3.23 H new ATOM 0 HB ILE A 46 -20.416 9.149 5.410 1.00 31.12 H new ATOM 0 HG12 ILE A 46 -19.718 8.549 3.157 1.00 14.21 H new ATOM 0 HG13 ILE A 46 -21.353 7.984 3.439 1.00 14.21 H new ATOM 0 HG21 ILE A 46 -22.849 9.136 5.008 1.00 10.43 H new ATOM 0 HG22 ILE A 46 -22.313 10.600 5.867 1.00 10.43 H new ATOM 0 HG23 ILE A 46 -22.703 10.678 4.132 1.00 10.43 H new ATOM 0 HD11 ILE A 46 -21.118 8.905 1.195 1.00 12.43 H new ATOM 0 HD12 ILE A 46 -22.246 9.888 2.159 1.00 12.43 H new ATOM 0 HD13 ILE A 46 -20.586 10.462 1.873 1.00 12.43 H new ATOM 550 N GLN A 47 -19.270 11.729 6.637 1.00 13.32 N ATOM 551 CA GLN A 47 -19.276 12.564 7.830 1.00 13.22 C ATOM 552 C GLN A 47 -18.583 13.882 7.535 1.00 14.22 C ATOM 553 O GLN A 47 -18.816 14.879 8.199 1.00 12.23 O ATOM 554 CB GLN A 47 -18.611 11.851 9.009 1.00 13.30 C ATOM 555 CG GLN A 47 -19.357 10.608 9.471 1.00 41.10 C ATOM 556 CD GLN A 47 -18.695 9.918 10.648 1.00 64.25 C ATOM 557 OE1 GLN A 47 -17.487 9.942 10.802 1.00 62.03 O ATOM 558 NE2 GLN A 47 -19.489 9.306 11.494 1.00 14.31 N ATOM 0 H GLN A 47 -18.569 10.988 6.647 1.00 13.32 H new ATOM 0 HA GLN A 47 -20.310 12.762 8.111 1.00 13.22 H new ATOM 0 HB2 GLN A 47 -17.596 11.571 8.727 1.00 13.30 H new ATOM 0 HB3 GLN A 47 -18.530 12.547 9.844 1.00 13.30 H new ATOM 0 HG2 GLN A 47 -20.375 10.884 9.745 1.00 41.10 H new ATOM 0 HG3 GLN A 47 -19.430 9.906 8.640 1.00 41.10 H new ATOM 0 HE21 GLN A 47 -20.497 9.304 11.337 1.00 14.31 H new ATOM 0 HE22 GLN A 47 -19.099 8.832 12.309 1.00 14.31 H new ATOM 567 N ALA A 48 -17.729 13.858 6.518 1.00 13.12 N ATOM 568 CA ALA A 48 -17.047 15.049 6.047 1.00 41.05 C ATOM 569 C ALA A 48 -18.038 15.956 5.321 1.00 14.21 C ATOM 570 O ALA A 48 -17.862 17.166 5.260 1.00 12.45 O ATOM 571 CB ALA A 48 -15.893 14.665 5.135 1.00 32.33 C ATOM 0 H ALA A 48 -17.493 13.012 6.000 1.00 13.12 H new ATOM 0 HA ALA A 48 -16.639 15.593 6.899 1.00 41.05 H new ATOM 0 HB1 ALA A 48 -15.388 15.566 4.787 1.00 32.33 H new ATOM 0 HB2 ALA A 48 -15.187 14.043 5.684 1.00 32.33 H new ATOM 0 HB3 ALA A 48 -16.275 14.110 4.278 1.00 32.33 H new ATOM 577 N GLY A 49 -19.072 15.347 4.755 1.00 44.03 N ATOM 578 CA GLY A 49 -20.129 16.113 4.149 1.00 45.12 C ATOM 579 C GLY A 49 -20.201 16.031 2.632 1.00 22.12 C ATOM 580 O GLY A 49 -20.583 17.003 1.977 1.00 51.13 O ATOM 0 H GLY A 49 -19.192 14.335 4.708 1.00 44.03 H new ATOM 0 HA2 GLY A 49 -21.081 15.777 4.561 1.00 45.12 H new ATOM 0 HA3 GLY A 49 -20.009 17.158 4.435 1.00 45.12 H new ATOM 584 N LEU A 50 -19.832 14.903 2.054 1.00 53.33 N ATOM 585 CA LEU A 50 -19.992 14.740 0.616 1.00 25.43 C ATOM 586 C LEU A 50 -21.438 14.474 0.275 1.00 2.40 C ATOM 587 O LEU A 50 -21.952 13.377 0.539 1.00 20.54 O ATOM 588 CB LEU A 50 -19.140 13.609 0.053 1.00 51.00 C ATOM 589 CG LEU A 50 -17.626 13.773 0.116 1.00 52.23 C ATOM 590 CD1 LEU A 50 -17.020 12.590 -0.511 1.00 41.45 C ATOM 591 CD2 LEU A 50 -17.151 14.989 -0.650 1.00 4.42 C ATOM 0 H LEU A 50 -19.429 14.103 2.541 1.00 53.33 H new ATOM 0 HA LEU A 50 -19.658 15.673 0.162 1.00 25.43 H new ATOM 0 HB2 LEU A 50 -19.402 12.694 0.584 1.00 51.00 H new ATOM 0 HB3 LEU A 50 -19.420 13.464 -0.990 1.00 51.00 H new ATOM 0 HG LEU A 50 -17.339 13.890 1.161 1.00 52.23 H new ATOM 0 HD11 LEU A 50 -15.934 12.678 -0.481 1.00 41.45 H new ATOM 0 HD12 LEU A 50 -17.326 11.695 0.030 1.00 41.45 H new ATOM 0 HD13 LEU A 50 -17.350 12.518 -1.547 1.00 41.45 H new ATOM 0 HD21 LEU A 50 -16.066 15.064 -0.576 1.00 4.42 H new ATOM 0 HD22 LEU A 50 -17.438 14.894 -1.697 1.00 4.42 H new ATOM 0 HD23 LEU A 50 -17.606 15.885 -0.229 1.00 4.42 H new ATOM 603 N ASP A 51 -22.112 15.491 -0.250 1.00 3.20 N ATOM 604 CA ASP A 51 -23.472 15.325 -0.749 1.00 52.32 C ATOM 605 C ASP A 51 -23.425 14.371 -1.926 1.00 11.22 C ATOM 606 O ASP A 51 -22.364 14.200 -2.552 1.00 21.44 O ATOM 607 CB ASP A 51 -24.119 16.666 -1.174 1.00 73.51 C ATOM 608 CG ASP A 51 -23.443 17.318 -2.363 1.00 33.31 C ATOM 609 OD1 ASP A 51 -23.736 16.927 -3.516 1.00 3.02 O ATOM 610 OD2 ASP A 51 -22.594 18.225 -2.152 1.00 25.33 O1- ATOM 0 H ASP A 51 -21.740 16.436 -0.341 1.00 3.20 H new ATOM 0 HA ASP A 51 -24.091 14.927 0.055 1.00 52.32 H new ATOM 0 HB2 ASP A 51 -25.168 16.493 -1.413 1.00 73.51 H new ATOM 0 HB3 ASP A 51 -24.094 17.355 -0.330 1.00 73.51 H new ATOM 615 N SER A 52 -24.534 13.765 -2.244 1.00 64.31 N ATOM 616 CA SER A 52 -24.549 12.737 -3.244 1.00 65.30 C ATOM 617 C SER A 52 -24.210 13.227 -4.650 1.00 21.34 C ATOM 618 O SER A 52 -23.721 12.441 -5.457 1.00 13.12 O ATOM 619 CB SER A 52 -25.855 12.021 -3.245 1.00 5.23 C ATOM 620 OG SER A 52 -26.292 11.784 -1.914 1.00 5.41 O ATOM 0 H SER A 52 -25.441 13.966 -1.824 1.00 64.31 H new ATOM 0 HA SER A 52 -23.751 12.048 -2.967 1.00 65.30 H new ATOM 0 HB2 SER A 52 -26.600 12.611 -3.779 1.00 5.23 H new ATOM 0 HB3 SER A 52 -25.757 11.074 -3.776 1.00 5.23 H new ATOM 0 HG SER A 52 -25.667 11.175 -1.468 1.00 5.41 H new ATOM 626 N ILE A 53 -24.420 14.509 -4.959 1.00 51.41 N ATOM 627 CA ILE A 53 -24.065 14.956 -6.285 1.00 34.30 C ATOM 628 C ILE A 53 -22.583 15.103 -6.329 1.00 20.24 C ATOM 629 O ILE A 53 -21.932 14.613 -7.242 1.00 62.04 O ATOM 630 CB ILE A 53 -24.707 16.287 -6.739 1.00 44.40 C ATOM 631 CG1 ILE A 53 -26.248 16.221 -6.633 1.00 54.31 C ATOM 632 CG2 ILE A 53 -24.269 16.586 -8.201 1.00 23.01 C ATOM 633 CD1 ILE A 53 -26.899 15.128 -7.473 1.00 44.43 C ATOM 0 H ILE A 53 -24.814 15.215 -4.338 1.00 51.41 H new ATOM 0 HA ILE A 53 -24.451 14.204 -6.974 1.00 34.30 H new ATOM 0 HB ILE A 53 -24.368 17.091 -6.086 1.00 44.40 H new ATOM 0 HG12 ILE A 53 -26.520 16.068 -5.589 1.00 54.31 H new ATOM 0 HG13 ILE A 53 -26.661 17.184 -6.932 1.00 54.31 H new ATOM 0 HG21 ILE A 53 -24.717 17.523 -8.531 1.00 23.01 H new ATOM 0 HG22 ILE A 53 -23.183 16.667 -8.246 1.00 23.01 H new ATOM 0 HG23 ILE A 53 -24.600 15.777 -8.853 1.00 23.01 H new ATOM 0 HD11 ILE A 53 -27.980 15.158 -7.335 1.00 44.43 H new ATOM 0 HD12 ILE A 53 -26.663 15.288 -8.525 1.00 44.43 H new ATOM 0 HD13 ILE A 53 -26.520 14.155 -7.160 1.00 44.43 H new ATOM 645 N ARG A 54 -22.045 15.724 -5.285 1.00 10.44 N ATOM 646 CA ARG A 54 -20.623 15.935 -5.124 1.00 72.02 C ATOM 647 C ARG A 54 -19.923 14.590 -5.200 1.00 73.30 C ATOM 648 O ARG A 54 -18.865 14.455 -5.826 1.00 45.30 O ATOM 649 CB ARG A 54 -20.376 16.584 -3.773 1.00 72.55 C ATOM 650 CG ARG A 54 -18.994 17.156 -3.558 1.00 43.04 C ATOM 651 CD ARG A 54 -18.912 17.847 -2.206 1.00 0.15 C ATOM 652 NE ARG A 54 -20.027 18.771 -2.009 1.00 12.44 N ATOM 653 CZ ARG A 54 -19.970 20.024 -1.587 1.00 32.12 C ATOM 654 NH1 ARG A 54 -18.792 20.636 -1.373 1.00 51.32 N1+ ATOM 655 NH2 ARG A 54 -21.113 20.672 -1.402 1.00 1.23 N ATOM 0 H ARG A 54 -22.601 16.099 -4.516 1.00 10.44 H new ATOM 0 HA ARG A 54 -20.236 16.586 -5.908 1.00 72.02 H new ATOM 0 HB2 ARG A 54 -21.104 17.384 -3.637 1.00 72.55 H new ATOM 0 HB3 ARG A 54 -20.567 15.844 -2.996 1.00 72.55 H new ATOM 0 HG2 ARG A 54 -18.251 16.360 -3.613 1.00 43.04 H new ATOM 0 HG3 ARG A 54 -18.760 17.866 -4.351 1.00 43.04 H new ATOM 0 HD2 ARG A 54 -18.913 17.099 -1.413 1.00 0.15 H new ATOM 0 HD3 ARG A 54 -17.970 18.390 -2.130 1.00 0.15 H new ATOM 0 HE ARG A 54 -20.956 18.408 -2.221 1.00 12.44 H new ATOM 0 HH11 ARG A 54 -17.919 20.134 -1.536 1.00 51.32 H new ATOM 0 HH12 ARG A 54 -18.771 21.603 -1.048 1.00 51.32 H new ATOM 0 HH21 ARG A 54 -22.000 20.203 -1.584 1.00 1.23 H new ATOM 0 HH22 ARG A 54 -21.104 21.639 -1.077 1.00 1.23 H new ATOM 669 N LEU A 55 -20.568 13.616 -4.607 1.00 73.23 N ATOM 670 CA LEU A 55 -20.134 12.253 -4.584 1.00 23.53 C ATOM 671 C LEU A 55 -20.188 11.627 -5.992 1.00 32.33 C ATOM 672 O LEU A 55 -19.181 11.148 -6.498 1.00 13.22 O ATOM 673 CB LEU A 55 -21.024 11.468 -3.600 1.00 33.41 C ATOM 674 CG LEU A 55 -20.283 10.705 -2.500 1.00 1.13 C ATOM 675 CD1 LEU A 55 -21.248 10.139 -1.503 1.00 15.41 C ATOM 676 CD2 LEU A 55 -19.444 9.596 -3.085 1.00 4.25 C ATOM 0 H LEU A 55 -21.445 13.764 -4.108 1.00 73.23 H new ATOM 0 HA LEU A 55 -19.096 12.210 -4.254 1.00 23.53 H new ATOM 0 HB2 LEU A 55 -21.717 12.166 -3.129 1.00 33.41 H new ATOM 0 HB3 LEU A 55 -21.624 10.758 -4.169 1.00 33.41 H new ATOM 0 HG LEU A 55 -19.625 11.411 -1.993 1.00 1.13 H new ATOM 0 HD11 LEU A 55 -20.699 9.601 -0.730 1.00 15.41 H new ATOM 0 HD12 LEU A 55 -21.817 10.949 -1.047 1.00 15.41 H new ATOM 0 HD13 LEU A 55 -21.931 9.455 -2.006 1.00 15.41 H new ATOM 0 HD21 LEU A 55 -18.927 9.069 -2.283 1.00 4.25 H new ATOM 0 HD22 LEU A 55 -20.086 8.899 -3.623 1.00 4.25 H new ATOM 0 HD23 LEU A 55 -18.711 10.018 -3.773 1.00 4.25 H new ATOM 688 N MET A 56 -21.345 11.689 -6.640 1.00 64.01 N ATOM 689 CA MET A 56 -21.527 11.020 -7.933 1.00 73.12 C ATOM 690 C MET A 56 -20.805 11.709 -9.080 1.00 62.53 C ATOM 691 O MET A 56 -20.604 11.093 -10.121 1.00 14.25 O ATOM 692 CB MET A 56 -22.999 10.787 -8.291 1.00 63.35 C ATOM 693 CG MET A 56 -23.759 12.022 -8.724 1.00 53.54 C ATOM 694 SD MET A 56 -25.493 11.674 -9.076 1.00 55.42 S ATOM 695 CE MET A 56 -25.333 10.399 -10.329 1.00 44.35 C ATOM 0 H MET A 56 -22.167 12.189 -6.300 1.00 64.01 H new ATOM 0 HA MET A 56 -21.061 10.044 -7.796 1.00 73.12 H new ATOM 0 HB2 MET A 56 -23.049 10.049 -9.092 1.00 63.35 H new ATOM 0 HB3 MET A 56 -23.503 10.354 -7.427 1.00 63.35 H new ATOM 0 HG2 MET A 56 -23.695 12.778 -7.941 1.00 53.54 H new ATOM 0 HG3 MET A 56 -23.288 12.442 -9.613 1.00 53.54 H new ATOM 0 HE1 MET A 56 -26.157 10.481 -11.038 1.00 44.35 H new ATOM 0 HE2 MET A 56 -24.387 10.523 -10.856 1.00 44.35 H new ATOM 0 HE3 MET A 56 -25.358 9.418 -9.855 1.00 44.35 H new ATOM 705 N ARG A 57 -20.426 12.991 -8.911 1.00 12.42 N ATOM 706 CA ARG A 57 -19.641 13.688 -9.945 1.00 25.11 C ATOM 707 C ARG A 57 -18.365 12.881 -10.199 1.00 32.23 C ATOM 708 O ARG A 57 -17.903 12.721 -11.334 1.00 15.12 O ATOM 709 CB ARG A 57 -19.159 15.059 -9.482 1.00 41.21 C ATOM 710 CG ARG A 57 -20.215 16.082 -9.124 1.00 33.02 C ATOM 711 CD ARG A 57 -19.544 17.283 -8.484 1.00 73.34 C ATOM 712 NE ARG A 57 -18.612 16.823 -7.442 1.00 40.13 N ATOM 713 CZ ARG A 57 -17.685 17.537 -6.835 1.00 3.22 C ATOM 714 NH1 ARG A 57 -17.732 18.870 -6.833 1.00 51.54 N1+ ATOM 715 NH2 ARG A 57 -16.747 16.908 -6.155 1.00 41.30 N ATOM 0 H ARG A 57 -20.645 13.553 -8.088 1.00 12.42 H new ATOM 0 HA ARG A 57 -20.283 13.793 -10.819 1.00 25.11 H new ATOM 0 HB2 ARG A 57 -18.520 14.915 -8.611 1.00 41.21 H new ATOM 0 HB3 ARG A 57 -18.534 15.481 -10.270 1.00 41.21 H new ATOM 0 HG2 ARG A 57 -20.761 16.387 -10.017 1.00 33.02 H new ATOM 0 HG3 ARG A 57 -20.943 15.648 -8.438 1.00 33.02 H new ATOM 0 HD2 ARG A 57 -19.008 17.859 -9.238 1.00 73.34 H new ATOM 0 HD3 ARG A 57 -20.294 17.945 -8.051 1.00 73.34 H new ATOM 0 HE ARG A 57 -18.692 15.846 -7.159 1.00 40.13 H new ATOM 0 HH11 ARG A 57 -18.495 19.354 -7.307 1.00 51.54 H new ATOM 0 HH12 ARG A 57 -17.005 19.405 -6.358 1.00 51.54 H new ATOM 0 HH21 ARG A 57 -16.749 15.889 -6.107 1.00 41.30 H new ATOM 0 HH22 ARG A 57 -16.020 17.440 -5.677 1.00 41.30 H new ATOM 729 N TRP A 58 -17.836 12.340 -9.093 1.00 54.01 N ATOM 730 CA TRP A 58 -16.599 11.598 -9.072 1.00 20.30 C ATOM 731 C TRP A 58 -16.685 10.292 -9.859 1.00 33.02 C ATOM 732 O TRP A 58 -15.680 9.816 -10.367 1.00 2.04 O ATOM 733 CB TRP A 58 -16.156 11.301 -7.630 1.00 52.04 C ATOM 734 CG TRP A 58 -15.715 12.495 -6.808 1.00 61.33 C ATOM 735 CD1 TRP A 58 -16.161 12.864 -5.556 1.00 24.25 C ATOM 736 CD2 TRP A 58 -14.725 13.468 -7.172 1.00 5.03 C ATOM 737 NE1 TRP A 58 -15.480 13.960 -5.120 1.00 2.43 N ATOM 738 CE2 TRP A 58 -14.592 14.356 -6.093 1.00 24.23 C ATOM 739 CE3 TRP A 58 -13.925 13.664 -8.300 1.00 4.44 C ATOM 740 CZ2 TRP A 58 -13.688 15.416 -6.114 1.00 64.24 C ATOM 741 CZ3 TRP A 58 -13.039 14.716 -8.315 1.00 64.22 C ATOM 742 CH2 TRP A 58 -12.926 15.573 -7.229 1.00 44.33 C ATOM 0 H TRP A 58 -18.277 12.416 -8.176 1.00 54.01 H new ATOM 0 HA TRP A 58 -15.856 12.232 -9.556 1.00 20.30 H new ATOM 0 HB2 TRP A 58 -16.981 10.814 -7.111 1.00 52.04 H new ATOM 0 HB3 TRP A 58 -15.334 10.586 -7.664 1.00 52.04 H new ATOM 0 HD1 TRP A 58 -16.937 12.357 -5.002 1.00 24.25 H new ATOM 0 HE1 TRP A 58 -15.608 14.415 -4.216 1.00 2.43 H new ATOM 0 HE3 TRP A 58 -14.001 12.999 -9.148 1.00 4.44 H new ATOM 0 HZ2 TRP A 58 -13.596 16.089 -5.274 1.00 64.24 H new ATOM 0 HZ3 TRP A 58 -12.421 14.878 -9.186 1.00 64.22 H new ATOM 0 HH2 TRP A 58 -12.215 16.385 -7.271 1.00 44.33 H new ATOM 753 N LEU A 59 -17.891 9.753 -9.997 1.00 55.13 N ATOM 754 CA LEU A 59 -18.114 8.472 -10.679 1.00 42.02 C ATOM 755 C LEU A 59 -17.563 8.503 -12.109 1.00 34.42 C ATOM 756 O LEU A 59 -16.931 7.540 -12.577 1.00 5.14 O ATOM 757 CB LEU A 59 -19.616 8.143 -10.699 1.00 3.21 C ATOM 758 CG LEU A 59 -20.023 6.834 -11.369 1.00 32.22 C ATOM 759 CD1 LEU A 59 -19.426 5.646 -10.643 1.00 52.02 C ATOM 760 CD2 LEU A 59 -21.536 6.715 -11.438 1.00 44.14 C ATOM 0 H LEU A 59 -18.744 10.186 -9.642 1.00 55.13 H new ATOM 0 HA LEU A 59 -17.582 7.696 -10.129 1.00 42.02 H new ATOM 0 HB2 LEU A 59 -19.974 8.124 -9.670 1.00 3.21 H new ATOM 0 HB3 LEU A 59 -20.136 8.958 -11.202 1.00 3.21 H new ATOM 0 HG LEU A 59 -19.632 6.839 -12.387 1.00 32.22 H new ATOM 0 HD11 LEU A 59 -19.731 4.725 -11.140 1.00 52.02 H new ATOM 0 HD12 LEU A 59 -18.339 5.722 -10.654 1.00 52.02 H new ATOM 0 HD13 LEU A 59 -19.778 5.635 -9.612 1.00 52.02 H new ATOM 0 HD21 LEU A 59 -21.805 5.775 -11.919 1.00 44.14 H new ATOM 0 HD22 LEU A 59 -21.949 6.738 -10.430 1.00 44.14 H new ATOM 0 HD23 LEU A 59 -21.940 7.547 -12.015 1.00 44.14 H new ATOM 772 N HIS A 60 -17.765 9.618 -12.776 1.00 11.22 N ATOM 773 CA HIS A 60 -17.296 9.784 -14.136 1.00 70.11 C ATOM 774 C HIS A 60 -15.802 10.122 -14.124 1.00 53.25 C ATOM 775 O HIS A 60 -15.054 9.725 -15.015 1.00 1.25 O ATOM 776 CB HIS A 60 -18.106 10.888 -14.845 1.00 35.41 C ATOM 777 CG HIS A 60 -17.765 11.074 -16.300 1.00 10.25 C ATOM 778 ND1 HIS A 60 -17.111 12.176 -16.806 1.00 2.41 N ATOM 779 CD2 HIS A 60 -18.016 10.272 -17.362 1.00 62.20 C ATOM 780 CE1 HIS A 60 -16.989 12.011 -18.129 1.00 14.20 C ATOM 781 NE2 HIS A 60 -17.523 10.871 -18.514 1.00 33.52 N ATOM 0 H HIS A 60 -18.254 10.429 -12.396 1.00 11.22 H new ATOM 0 HA HIS A 60 -17.439 8.854 -14.687 1.00 70.11 H new ATOM 0 HB2 HIS A 60 -19.167 10.654 -14.760 1.00 35.41 H new ATOM 0 HB3 HIS A 60 -17.945 11.831 -14.323 1.00 35.41 H new ATOM 0 HD2 HIS A 60 -18.520 9.318 -17.320 1.00 62.20 H new ATOM 0 HE1 HIS A 60 -16.515 12.719 -18.792 1.00 14.20 H new ATOM 0 HE2 HIS A 60 -17.566 10.503 -19.464 1.00 33.52 H new ATOM 789 N TRP A 61 -15.377 10.796 -13.069 1.00 73.01 N ATOM 790 CA TRP A 61 -14.001 11.244 -12.916 1.00 23.30 C ATOM 791 C TRP A 61 -13.064 10.022 -12.824 1.00 22.24 C ATOM 792 O TRP A 61 -11.953 10.026 -13.377 1.00 4.52 O ATOM 793 CB TRP A 61 -13.884 12.121 -11.654 1.00 2.00 C ATOM 794 CG TRP A 61 -12.653 12.974 -11.596 1.00 53.41 C ATOM 795 CD1 TRP A 61 -12.581 14.303 -11.875 1.00 3.51 C ATOM 796 CD2 TRP A 61 -11.331 12.576 -11.240 1.00 3.00 C ATOM 797 NE1 TRP A 61 -11.302 14.754 -11.728 1.00 73.25 N ATOM 798 CE2 TRP A 61 -10.513 13.714 -11.341 1.00 51.44 C ATOM 799 CE3 TRP A 61 -10.759 11.370 -10.851 1.00 42.22 C ATOM 800 CZ2 TRP A 61 -9.165 13.678 -11.071 1.00 54.02 C ATOM 801 CZ3 TRP A 61 -9.425 11.340 -10.585 1.00 34.43 C ATOM 802 CH2 TRP A 61 -8.644 12.485 -10.698 1.00 3.00 C ATOM 0 H TRP A 61 -15.981 11.050 -12.288 1.00 73.01 H new ATOM 0 HA TRP A 61 -13.707 11.838 -13.781 1.00 23.30 H new ATOM 0 HB2 TRP A 61 -14.760 12.767 -11.594 1.00 2.00 H new ATOM 0 HB3 TRP A 61 -13.904 11.475 -10.776 1.00 2.00 H new ATOM 0 HD1 TRP A 61 -13.419 14.916 -12.172 1.00 3.51 H new ATOM 0 HE1 TRP A 61 -10.988 15.712 -11.883 1.00 73.25 H new ATOM 0 HE3 TRP A 61 -11.360 10.477 -10.762 1.00 42.22 H new ATOM 0 HZ2 TRP A 61 -8.549 14.562 -11.153 1.00 54.02 H new ATOM 0 HZ3 TRP A 61 -8.965 10.411 -10.281 1.00 34.43 H new ATOM 0 HH2 TRP A 61 -7.588 12.421 -10.481 1.00 3.00 H new ATOM 813 N PHE A 62 -13.518 8.986 -12.135 1.00 44.45 N ATOM 814 CA PHE A 62 -12.774 7.729 -12.031 1.00 10.14 C ATOM 815 C PHE A 62 -12.612 7.071 -13.376 1.00 34.24 C ATOM 816 O PHE A 62 -11.495 6.791 -13.833 1.00 72.24 O ATOM 817 CB PHE A 62 -13.485 6.741 -11.112 1.00 5.41 C ATOM 818 CG PHE A 62 -13.330 7.025 -9.673 1.00 32.12 C ATOM 819 CD1 PHE A 62 -12.179 6.664 -9.043 1.00 75.21 C ATOM 820 CD2 PHE A 62 -14.331 7.627 -8.945 1.00 31.43 C ATOM 821 CE1 PHE A 62 -12.009 6.899 -7.699 1.00 52.12 C ATOM 822 CE2 PHE A 62 -14.174 7.870 -7.605 1.00 21.04 C ATOM 823 CZ PHE A 62 -13.007 7.503 -6.983 1.00 2.35 C ATOM 0 H PHE A 62 -14.406 8.987 -11.633 1.00 44.45 H new ATOM 0 HA PHE A 62 -11.796 7.984 -11.623 1.00 10.14 H new ATOM 0 HB2 PHE A 62 -14.547 6.737 -11.356 1.00 5.41 H new ATOM 0 HB3 PHE A 62 -13.107 5.739 -11.315 1.00 5.41 H new ATOM 0 HD1 PHE A 62 -11.390 6.187 -9.605 1.00 75.21 H new ATOM 0 HD2 PHE A 62 -15.251 7.911 -9.435 1.00 31.43 H new ATOM 0 HE1 PHE A 62 -11.091 6.608 -7.210 1.00 52.12 H new ATOM 0 HE2 PHE A 62 -14.963 8.347 -7.043 1.00 21.04 H new ATOM 0 HZ PHE A 62 -12.876 7.691 -5.928 1.00 2.35 H new ATOM 833 N ARG A 63 -13.729 6.876 -14.030 1.00 75.32 N ATOM 834 CA ARG A 63 -13.787 6.144 -15.281 1.00 64.41 C ATOM 835 C ARG A 63 -13.080 6.907 -16.415 1.00 74.21 C ATOM 836 O ARG A 63 -12.743 6.338 -17.439 1.00 53.01 O ATOM 837 CB ARG A 63 -15.246 5.763 -15.594 1.00 41.52 C ATOM 838 CG ARG A 63 -15.874 4.935 -14.462 1.00 1.30 C ATOM 839 CD ARG A 63 -17.327 4.542 -14.721 1.00 50.42 C ATOM 840 NE ARG A 63 -17.892 3.779 -13.572 1.00 63.25 N ATOM 841 CZ ARG A 63 -18.924 2.905 -13.620 1.00 72.04 C ATOM 842 NH1 ARG A 63 -19.563 2.672 -14.774 1.00 13.52 N1+ ATOM 843 NH2 ARG A 63 -19.303 2.271 -12.503 1.00 12.43 N ATOM 0 H ARG A 63 -14.634 7.222 -13.711 1.00 75.32 H new ATOM 0 HA ARG A 63 -13.232 5.211 -15.185 1.00 64.41 H new ATOM 0 HB2 ARG A 63 -15.833 6.668 -15.751 1.00 41.52 H new ATOM 0 HB3 ARG A 63 -15.282 5.195 -16.523 1.00 41.52 H new ATOM 0 HG2 ARG A 63 -15.283 4.031 -14.315 1.00 1.30 H new ATOM 0 HG3 ARG A 63 -15.821 5.505 -13.535 1.00 1.30 H new ATOM 0 HD2 ARG A 63 -17.923 5.438 -14.895 1.00 50.42 H new ATOM 0 HD3 ARG A 63 -17.387 3.938 -15.627 1.00 50.42 H new ATOM 0 HE ARG A 63 -17.459 3.930 -12.661 1.00 63.25 H new ATOM 0 HH11 ARG A 63 -19.273 3.155 -15.624 1.00 13.52 H new ATOM 0 HH12 ARG A 63 -20.340 2.012 -14.802 1.00 13.52 H new ATOM 0 HH21 ARG A 63 -18.815 2.449 -11.625 1.00 12.43 H new ATOM 0 HH22 ARG A 63 -20.080 1.611 -12.530 1.00 12.43 H new ATOM 857 N LYS A 64 -12.822 8.193 -16.160 1.00 0.11 N ATOM 858 CA LYS A 64 -12.049 9.085 -17.030 1.00 2.52 C ATOM 859 C LYS A 64 -10.671 8.488 -17.363 1.00 74.22 C ATOM 860 O LYS A 64 -10.198 8.610 -18.476 1.00 62.25 O ATOM 861 CB LYS A 64 -11.918 10.473 -16.314 1.00 52.33 C ATOM 862 CG LYS A 64 -11.034 11.560 -16.967 1.00 44.41 C ATOM 863 CD LYS A 64 -9.500 11.398 -16.736 1.00 20.43 C ATOM 864 CE LYS A 64 -9.015 11.682 -15.280 1.00 51.11 C ATOM 865 NZ LYS A 64 -9.345 10.621 -14.281 1.00 72.30 N1+ ATOM 0 H LYS A 64 -13.156 8.657 -15.315 1.00 0.11 H new ATOM 0 HA LYS A 64 -12.565 9.211 -17.982 1.00 2.52 H new ATOM 0 HB2 LYS A 64 -12.921 10.884 -16.203 1.00 52.33 H new ATOM 0 HB3 LYS A 64 -11.534 10.293 -15.310 1.00 52.33 H new ATOM 0 HG2 LYS A 64 -11.225 11.564 -18.040 1.00 44.41 H new ATOM 0 HG3 LYS A 64 -11.342 12.533 -16.585 1.00 44.41 H new ATOM 0 HD2 LYS A 64 -9.213 10.382 -17.006 1.00 20.43 H new ATOM 0 HD3 LYS A 64 -8.973 12.069 -17.415 1.00 20.43 H new ATOM 0 HE2 LYS A 64 -7.934 11.821 -15.295 1.00 51.11 H new ATOM 0 HE3 LYS A 64 -9.453 12.622 -14.945 1.00 51.11 H new ATOM 0 HZ1 LYS A 64 -8.527 10.465 -13.658 1.00 72.30 H new ATOM 0 HZ2 LYS A 64 -10.162 10.922 -13.712 1.00 72.30 H new ATOM 0 HZ3 LYS A 64 -9.576 9.737 -14.777 1.00 72.30 H new ATOM 879 N ASN A 65 -10.037 7.849 -16.390 1.00 51.12 N ATOM 880 CA ASN A 65 -8.695 7.298 -16.621 1.00 74.21 C ATOM 881 C ASN A 65 -8.748 5.773 -16.533 1.00 63.11 C ATOM 882 O ASN A 65 -7.774 5.097 -16.195 1.00 35.35 O ATOM 883 CB ASN A 65 -7.681 7.903 -15.625 1.00 44.42 C ATOM 884 CG ASN A 65 -6.219 7.602 -15.973 1.00 35.21 C ATOM 885 OD1 ASN A 65 -5.865 7.421 -17.125 1.00 51.25 O ATOM 886 ND2 ASN A 65 -5.367 7.589 -14.981 1.00 3.22 N ATOM 0 H ASN A 65 -10.412 7.698 -15.454 1.00 51.12 H new ATOM 0 HA ASN A 65 -8.355 7.567 -17.621 1.00 74.21 H new ATOM 0 HB2 ASN A 65 -7.821 8.983 -15.589 1.00 44.42 H new ATOM 0 HB3 ASN A 65 -7.894 7.520 -14.627 1.00 44.42 H new ATOM 0 HD21 ASN A 65 -4.377 7.424 -15.161 1.00 3.22 H new ATOM 0 HD22 ASN A 65 -5.693 7.744 -14.027 1.00 3.22 H new ATOM 893 N GLY A 66 -9.912 5.239 -16.854 1.00 61.40 N ATOM 894 CA GLY A 66 -10.098 3.809 -16.872 1.00 45.02 C ATOM 895 C GLY A 66 -10.136 3.192 -15.494 1.00 1.35 C ATOM 896 O GLY A 66 -9.651 2.073 -15.291 1.00 23.23 O ATOM 0 H GLY A 66 -10.740 5.779 -17.105 1.00 61.40 H new ATOM 0 HA2 GLY A 66 -11.028 3.577 -17.391 1.00 45.02 H new ATOM 0 HA3 GLY A 66 -9.291 3.352 -17.444 1.00 45.02 H new ATOM 900 N TYR A 67 -10.673 3.909 -14.532 1.00 34.41 N ATOM 901 CA TYR A 67 -10.817 3.352 -13.216 1.00 53.32 C ATOM 902 C TYR A 67 -12.176 2.778 -13.018 1.00 33.24 C ATOM 903 O TYR A 67 -13.098 3.045 -13.794 1.00 53.12 O ATOM 904 CB TYR A 67 -10.392 4.288 -12.104 1.00 44.05 C ATOM 905 CG TYR A 67 -8.929 4.582 -12.181 1.00 24.22 C ATOM 906 CD1 TYR A 67 -8.482 5.852 -12.412 1.00 14.13 C ATOM 907 CD2 TYR A 67 -7.996 3.561 -12.074 1.00 5.34 C ATOM 908 CE1 TYR A 67 -7.132 6.116 -12.531 1.00 23.34 C ATOM 909 CE2 TYR A 67 -6.650 3.811 -12.181 1.00 35.42 C ATOM 910 CZ TYR A 67 -6.221 5.090 -12.412 1.00 74.20 C ATOM 911 OH TYR A 67 -4.874 5.345 -12.542 1.00 51.31 O ATOM 0 H TYR A 67 -11.011 4.865 -14.638 1.00 34.41 H new ATOM 0 HA TYR A 67 -10.109 2.526 -13.151 1.00 53.32 H new ATOM 0 HB2 TYR A 67 -10.957 5.218 -12.170 1.00 44.05 H new ATOM 0 HB3 TYR A 67 -10.626 3.841 -11.138 1.00 44.05 H new ATOM 0 HD1 TYR A 67 -9.193 6.660 -12.503 1.00 14.13 H new ATOM 0 HD2 TYR A 67 -8.335 2.550 -11.903 1.00 5.34 H new ATOM 0 HE1 TYR A 67 -6.791 7.124 -12.717 1.00 23.34 H new ATOM 0 HE2 TYR A 67 -5.937 3.006 -12.084 1.00 35.42 H new ATOM 0 HH TYR A 67 -4.624 6.090 -11.957 1.00 51.31 H new ATOM 921 N ARG A 68 -12.331 2.041 -11.969 1.00 24.01 N ATOM 922 CA ARG A 68 -13.511 1.195 -11.863 1.00 53.11 C ATOM 923 C ARG A 68 -14.120 1.127 -10.501 1.00 63.21 C ATOM 924 O ARG A 68 -13.563 0.534 -9.585 1.00 44.25 O ATOM 925 CB ARG A 68 -13.246 -0.230 -12.423 1.00 64.20 C ATOM 926 CG ARG A 68 -11.956 -0.897 -11.927 1.00 1.01 C ATOM 927 CD ARG A 68 -12.192 -2.211 -11.165 1.00 10.11 C ATOM 928 NE ARG A 68 -12.900 -2.010 -9.893 1.00 3.03 N ATOM 929 CZ ARG A 68 -13.095 -2.933 -8.947 1.00 72.23 C ATOM 930 NH1 ARG A 68 -12.457 -4.105 -9.005 1.00 71.42 N1+ ATOM 931 NH2 ARG A 68 -13.867 -2.645 -7.897 1.00 73.40 N ATOM 0 H ARG A 68 -11.684 1.994 -11.182 1.00 24.01 H new ATOM 0 HA ARG A 68 -14.256 1.691 -12.485 1.00 53.11 H new ATOM 0 HB2 ARG A 68 -14.090 -0.868 -12.162 1.00 64.20 H new ATOM 0 HB3 ARG A 68 -13.213 -0.175 -13.511 1.00 64.20 H new ATOM 0 HG2 ARG A 68 -11.308 -1.094 -12.781 1.00 1.01 H new ATOM 0 HG3 ARG A 68 -11.425 -0.201 -11.278 1.00 1.01 H new ATOM 0 HD2 ARG A 68 -12.767 -2.892 -11.793 1.00 10.11 H new ATOM 0 HD3 ARG A 68 -11.233 -2.691 -10.970 1.00 10.11 H new ATOM 0 HE ARG A 68 -13.278 -1.079 -9.716 1.00 3.03 H new ATOM 0 HH11 ARG A 68 -11.817 -4.299 -9.775 1.00 71.42 H new ATOM 0 HH12 ARG A 68 -12.610 -4.806 -8.280 1.00 71.42 H new ATOM 0 HH21 ARG A 68 -14.303 -1.726 -7.821 1.00 73.40 H new ATOM 0 HH22 ARG A 68 -14.021 -3.344 -7.170 1.00 73.40 H new ATOM 945 N LEU A 69 -15.242 1.756 -10.373 1.00 72.21 N ATOM 946 CA LEU A 69 -16.066 1.664 -9.205 1.00 51.12 C ATOM 947 C LEU A 69 -17.394 2.271 -9.512 1.00 44.23 C ATOM 948 O LEU A 69 -17.531 2.998 -10.525 1.00 43.53 O ATOM 949 CB LEU A 69 -15.394 2.304 -7.960 1.00 70.53 C ATOM 950 CG LEU A 69 -14.931 3.764 -8.058 1.00 10.01 C ATOM 951 CD1 LEU A 69 -16.085 4.752 -7.945 1.00 12.30 C ATOM 952 CD2 LEU A 69 -13.866 4.038 -7.024 1.00 4.02 C ATOM 0 H LEU A 69 -15.624 2.366 -11.096 1.00 72.21 H new ATOM 0 HA LEU A 69 -16.206 0.615 -8.944 1.00 51.12 H new ATOM 0 HB2 LEU A 69 -16.095 2.232 -7.129 1.00 70.53 H new ATOM 0 HB3 LEU A 69 -14.527 1.696 -7.700 1.00 70.53 H new ATOM 0 HG LEU A 69 -14.505 3.910 -9.050 1.00 10.01 H new ATOM 0 HD11 LEU A 69 -15.702 5.770 -8.021 1.00 12.30 H new ATOM 0 HD12 LEU A 69 -16.798 4.572 -8.750 1.00 12.30 H new ATOM 0 HD13 LEU A 69 -16.582 4.622 -6.984 1.00 12.30 H new ATOM 0 HD21 LEU A 69 -13.543 5.076 -7.101 1.00 4.02 H new ATOM 0 HD22 LEU A 69 -14.270 3.856 -6.028 1.00 4.02 H new ATOM 0 HD23 LEU A 69 -13.014 3.380 -7.196 1.00 4.02 H new ATOM 964 N THR A 70 -18.352 1.941 -8.744 1.00 71.24 N ATOM 965 CA THR A 70 -19.617 2.543 -8.792 1.00 51.24 C ATOM 966 C THR A 70 -19.792 3.256 -7.435 1.00 54.53 C ATOM 967 O THR A 70 -18.960 3.098 -6.529 1.00 75.44 O ATOM 968 CB THR A 70 -20.708 1.468 -9.061 1.00 21.43 C ATOM 969 OG1 THR A 70 -20.259 0.635 -10.147 1.00 60.52 O ATOM 970 CG2 THR A 70 -22.040 2.100 -9.463 1.00 21.41 C ATOM 0 H THR A 70 -18.272 1.213 -8.034 1.00 71.24 H new ATOM 0 HA THR A 70 -19.713 3.264 -9.603 1.00 51.24 H new ATOM 0 HB THR A 70 -20.862 0.897 -8.145 1.00 21.43 H new ATOM 0 HG1 THR A 70 -20.933 -0.052 -10.332 1.00 60.52 H new ATOM 0 HG21 THR A 70 -22.775 1.316 -9.642 1.00 21.41 H new ATOM 0 HG22 THR A 70 -22.391 2.750 -8.662 1.00 21.41 H new ATOM 0 HG23 THR A 70 -21.905 2.685 -10.372 1.00 21.41 H new ATOM 978 N LEU A 71 -20.805 4.046 -7.293 1.00 2.22 N ATOM 979 CA LEU A 71 -20.950 4.847 -6.110 1.00 63.25 C ATOM 980 C LEU A 71 -21.491 4.056 -4.939 1.00 41.33 C ATOM 981 O LEU A 71 -21.307 4.444 -3.788 1.00 42.22 O ATOM 982 CB LEU A 71 -21.855 5.975 -6.364 1.00 71.34 C ATOM 983 CG LEU A 71 -21.497 7.257 -5.669 1.00 24.30 C ATOM 984 CD1 LEU A 71 -20.275 7.815 -6.325 1.00 61.51 C ATOM 985 CD2 LEU A 71 -22.649 8.235 -5.726 1.00 65.40 C ATOM 0 H LEU A 71 -21.550 4.158 -7.981 1.00 2.22 H new ATOM 0 HA LEU A 71 -19.952 5.204 -5.855 1.00 63.25 H new ATOM 0 HB2 LEU A 71 -21.885 6.160 -7.438 1.00 71.34 H new ATOM 0 HB3 LEU A 71 -22.862 5.686 -6.062 1.00 71.34 H new ATOM 0 HG LEU A 71 -21.292 7.070 -4.615 1.00 24.30 H new ATOM 0 HD11 LEU A 71 -19.994 8.748 -5.837 1.00 61.51 H new ATOM 0 HD12 LEU A 71 -19.457 7.100 -6.238 1.00 61.51 H new ATOM 0 HD13 LEU A 71 -20.482 8.004 -7.378 1.00 61.51 H new ATOM 0 HD21 LEU A 71 -22.369 9.157 -5.217 1.00 65.40 H new ATOM 0 HD22 LEU A 71 -22.890 8.454 -6.766 1.00 65.40 H new ATOM 0 HD23 LEU A 71 -23.520 7.800 -5.236 1.00 65.40 H new ATOM 997 N ARG A 72 -22.185 2.964 -5.222 1.00 53.15 N ATOM 998 CA ARG A 72 -22.807 2.173 -4.172 1.00 51.32 C ATOM 999 C ARG A 72 -21.746 1.601 -3.242 1.00 2.44 C ATOM 1000 O ARG A 72 -21.989 1.407 -2.044 1.00 51.11 O ATOM 1001 CB ARG A 72 -23.709 1.053 -4.756 1.00 51.30 C ATOM 1002 CG ARG A 72 -24.318 0.122 -3.709 1.00 53.01 C ATOM 1003 CD ARG A 72 -25.089 0.920 -2.698 1.00 70.20 C ATOM 1004 NE ARG A 72 -25.543 0.124 -1.543 1.00 15.14 N ATOM 1005 CZ ARG A 72 -25.088 0.302 -0.278 1.00 61.21 C ATOM 1006 NH1 ARG A 72 -23.958 0.983 -0.065 1.00 22.50 N1+ ATOM 1007 NH2 ARG A 72 -25.712 -0.283 0.752 1.00 70.34 N ATOM 0 H ARG A 72 -22.331 2.607 -6.166 1.00 53.15 H new ATOM 0 HA ARG A 72 -23.454 2.832 -3.592 1.00 51.32 H new ATOM 0 HB2 ARG A 72 -24.515 1.514 -5.327 1.00 51.30 H new ATOM 0 HB3 ARG A 72 -23.122 0.458 -5.456 1.00 51.30 H new ATOM 0 HG2 ARG A 72 -24.976 -0.601 -4.192 1.00 53.01 H new ATOM 0 HG3 ARG A 72 -23.530 -0.445 -3.213 1.00 53.01 H new ATOM 0 HD2 ARG A 72 -24.465 1.740 -2.342 1.00 70.20 H new ATOM 0 HD3 ARG A 72 -25.956 1.367 -3.184 1.00 70.20 H new ATOM 0 HE ARG A 72 -26.240 -0.603 -1.705 1.00 15.14 H new ATOM 0 HH11 ARG A 72 -23.438 1.368 -0.854 1.00 22.50 H new ATOM 0 HH12 ARG A 72 -23.615 1.117 0.886 1.00 22.50 H new ATOM 0 HH21 ARG A 72 -26.533 -0.865 0.587 1.00 70.34 H new ATOM 0 HH22 ARG A 72 -25.366 -0.146 1.702 1.00 70.34 H new ATOM 1021 N GLU A 73 -20.582 1.415 -3.785 1.00 70.00 N ATOM 1022 CA GLU A 73 -19.458 0.852 -3.048 1.00 72.11 C ATOM 1023 C GLU A 73 -18.864 1.904 -2.164 1.00 71.32 C ATOM 1024 O GLU A 73 -18.453 1.650 -1.027 1.00 34.21 O ATOM 1025 CB GLU A 73 -18.385 0.300 -3.986 1.00 35.21 C ATOM 1026 CG GLU A 73 -18.902 -0.725 -4.964 1.00 51.11 C ATOM 1027 CD GLU A 73 -19.428 -0.129 -6.253 1.00 3.25 C ATOM 1028 OE1 GLU A 73 -20.555 0.440 -6.261 1.00 21.14 O ATOM 1029 OE2 GLU A 73 -18.709 -0.207 -7.274 1.00 45.42 O1- ATOM 0 H GLU A 73 -20.369 1.646 -4.755 1.00 70.00 H new ATOM 0 HA GLU A 73 -19.831 0.023 -2.446 1.00 72.11 H new ATOM 0 HB2 GLU A 73 -17.940 1.126 -4.541 1.00 35.21 H new ATOM 0 HB3 GLU A 73 -17.590 -0.148 -3.390 1.00 35.21 H new ATOM 0 HG2 GLU A 73 -18.101 -1.426 -5.199 1.00 51.11 H new ATOM 0 HG3 GLU A 73 -19.698 -1.298 -4.488 1.00 51.11 H new ATOM 1036 N LEU A 74 -18.866 3.092 -2.678 1.00 31.31 N ATOM 1037 CA LEU A 74 -18.373 4.255 -1.944 1.00 54.32 C ATOM 1038 C LEU A 74 -19.325 4.556 -0.782 1.00 62.40 C ATOM 1039 O LEU A 74 -18.930 5.085 0.247 1.00 34.43 O ATOM 1040 CB LEU A 74 -18.249 5.481 -2.857 1.00 45.21 C ATOM 1041 CG LEU A 74 -17.513 5.277 -4.187 1.00 70.35 C ATOM 1042 CD1 LEU A 74 -17.243 6.608 -4.853 1.00 64.40 C ATOM 1043 CD2 LEU A 74 -16.225 4.500 -3.999 1.00 52.12 C ATOM 0 H LEU A 74 -19.205 3.303 -3.617 1.00 31.31 H new ATOM 0 HA LEU A 74 -17.378 4.029 -1.560 1.00 54.32 H new ATOM 0 HB2 LEU A 74 -19.253 5.845 -3.076 1.00 45.21 H new ATOM 0 HB3 LEU A 74 -17.738 6.268 -2.302 1.00 45.21 H new ATOM 0 HG LEU A 74 -18.159 4.687 -4.837 1.00 70.35 H new ATOM 0 HD11 LEU A 74 -16.720 6.444 -5.795 1.00 64.40 H new ATOM 0 HD12 LEU A 74 -18.188 7.117 -5.046 1.00 64.40 H new ATOM 0 HD13 LEU A 74 -16.626 7.224 -4.198 1.00 64.40 H new ATOM 0 HD21 LEU A 74 -15.731 4.375 -4.963 1.00 52.12 H new ATOM 0 HD22 LEU A 74 -15.567 5.045 -3.322 1.00 52.12 H new ATOM 0 HD23 LEU A 74 -16.449 3.520 -3.577 1.00 52.12 H new ATOM 1055 N TYR A 75 -20.587 4.202 -0.980 1.00 53.15 N ATOM 1056 CA TYR A 75 -21.608 4.290 0.053 1.00 23.10 C ATOM 1057 C TYR A 75 -21.645 3.021 0.916 1.00 3.10 C ATOM 1058 O TYR A 75 -22.551 2.839 1.731 1.00 30.13 O ATOM 1059 CB TYR A 75 -22.998 4.520 -0.554 1.00 4.24 C ATOM 1060 CG TYR A 75 -23.410 5.959 -0.696 1.00 22.32 C ATOM 1061 CD1 TYR A 75 -23.469 6.582 -1.934 1.00 3.32 C ATOM 1062 CD2 TYR A 75 -23.765 6.693 0.427 1.00 70.21 C ATOM 1063 CE1 TYR A 75 -23.873 7.900 -2.042 1.00 20.42 C ATOM 1064 CE2 TYR A 75 -24.164 8.003 0.329 1.00 62.44 C ATOM 1065 CZ TYR A 75 -24.219 8.604 -0.902 1.00 2.50 C ATOM 1066 OH TYR A 75 -24.610 9.919 -0.996 1.00 12.11 O ATOM 0 H TYR A 75 -20.933 3.843 -1.870 1.00 53.15 H new ATOM 0 HA TYR A 75 -21.344 5.141 0.681 1.00 23.10 H new ATOM 0 HB2 TYR A 75 -23.028 4.052 -1.538 1.00 4.24 H new ATOM 0 HB3 TYR A 75 -23.735 4.008 0.065 1.00 4.24 H new ATOM 0 HD1 TYR A 75 -23.197 6.032 -2.823 1.00 3.32 H new ATOM 0 HD2 TYR A 75 -23.727 6.224 1.399 1.00 70.21 H new ATOM 0 HE1 TYR A 75 -23.918 8.377 -3.010 1.00 20.42 H new ATOM 0 HE2 TYR A 75 -24.433 8.557 1.216 1.00 62.44 H new ATOM 0 HH TYR A 75 -24.819 10.263 -0.102 1.00 12.11 H new ATOM 1076 N ALA A 76 -20.728 2.115 0.685 1.00 42.23 N ATOM 1077 CA ALA A 76 -20.630 0.914 1.496 1.00 31.14 C ATOM 1078 C ALA A 76 -19.524 1.112 2.499 1.00 31.24 C ATOM 1079 O ALA A 76 -19.691 0.871 3.688 1.00 51.03 O ATOM 1080 CB ALA A 76 -20.379 -0.320 0.634 1.00 15.15 C ATOM 0 H ALA A 76 -20.034 2.181 -0.059 1.00 42.23 H new ATOM 0 HA ALA A 76 -21.573 0.744 2.015 1.00 31.14 H new ATOM 0 HB1 ALA A 76 -20.311 -1.201 1.272 1.00 15.15 H new ATOM 0 HB2 ALA A 76 -21.201 -0.445 -0.071 1.00 15.15 H new ATOM 0 HB3 ALA A 76 -19.446 -0.196 0.085 1.00 15.15 H new ATOM 1086 N ALA A 77 -18.402 1.575 2.008 1.00 5.51 N ATOM 1087 CA ALA A 77 -17.291 1.923 2.843 1.00 51.31 C ATOM 1088 C ALA A 77 -16.912 3.360 2.537 1.00 13.12 C ATOM 1089 O ALA A 77 -16.127 3.629 1.625 1.00 5.41 O ATOM 1090 CB ALA A 77 -16.112 0.981 2.620 1.00 53.42 C ATOM 0 H ALA A 77 -18.237 1.720 1.012 1.00 5.51 H new ATOM 0 HA ALA A 77 -17.570 1.825 3.892 1.00 51.31 H new ATOM 0 HB1 ALA A 77 -15.286 1.272 3.268 1.00 53.42 H new ATOM 0 HB2 ALA A 77 -16.413 -0.040 2.853 1.00 53.42 H new ATOM 0 HB3 ALA A 77 -15.793 1.037 1.579 1.00 53.42 H new ATOM 1096 N PRO A 78 -17.500 4.321 3.246 1.00 54.40 N ATOM 1097 CA PRO A 78 -17.273 5.706 2.954 1.00 4.12 C ATOM 1098 C PRO A 78 -15.989 6.236 3.563 1.00 12.42 C ATOM 1099 O PRO A 78 -15.974 6.769 4.666 1.00 12.21 O ATOM 1100 CB PRO A 78 -18.491 6.402 3.540 1.00 4.03 C ATOM 1101 CG PRO A 78 -18.996 5.501 4.627 1.00 13.21 C ATOM 1102 CD PRO A 78 -18.429 4.126 4.374 1.00 71.54 C ATOM 0 HA PRO A 78 -17.151 5.878 1.885 1.00 4.12 H new ATOM 0 HB2 PRO A 78 -18.227 7.383 3.936 1.00 4.03 H new ATOM 0 HB3 PRO A 78 -19.254 6.561 2.778 1.00 4.03 H new ATOM 0 HG2 PRO A 78 -18.687 5.869 5.605 1.00 13.21 H new ATOM 0 HG3 PRO A 78 -20.086 5.473 4.627 1.00 13.21 H new ATOM 0 HD2 PRO A 78 -17.913 3.740 5.253 1.00 71.54 H new ATOM 0 HD3 PRO A 78 -19.213 3.411 4.125 1.00 71.54 H new ATOM 1110 N THR A 79 -14.927 6.071 2.826 1.00 0.23 N ATOM 1111 CA THR A 79 -13.602 6.513 3.187 1.00 20.44 C ATOM 1112 C THR A 79 -12.835 6.699 1.914 1.00 73.24 C ATOM 1113 O THR A 79 -13.120 5.987 0.956 1.00 60.54 O ATOM 1114 CB THR A 79 -12.875 5.445 4.043 1.00 11.34 C ATOM 1115 OG1 THR A 79 -13.182 4.134 3.535 1.00 73.22 O ATOM 1116 CG2 THR A 79 -13.241 5.543 5.515 1.00 71.13 C ATOM 0 H THR A 79 -14.958 5.606 1.919 1.00 0.23 H new ATOM 0 HA THR A 79 -13.668 7.434 3.766 1.00 20.44 H new ATOM 0 HB THR A 79 -11.803 5.628 3.970 1.00 11.34 H new ATOM 0 HG1 THR A 79 -12.721 3.458 4.075 1.00 73.22 H new ATOM 0 HG21 THR A 79 -12.707 4.775 6.075 1.00 71.13 H new ATOM 0 HG22 THR A 79 -12.964 6.527 5.894 1.00 71.13 H new ATOM 0 HG23 THR A 79 -14.315 5.398 5.633 1.00 71.13 H new ATOM 1124 N LEU A 80 -11.893 7.645 1.878 1.00 61.13 N ATOM 1125 CA LEU A 80 -11.051 7.847 0.686 1.00 72.42 C ATOM 1126 C LEU A 80 -10.425 6.557 0.267 1.00 44.23 C ATOM 1127 O LEU A 80 -10.452 6.186 -0.909 1.00 24.03 O ATOM 1128 CB LEU A 80 -9.909 8.746 0.982 1.00 22.40 C ATOM 1129 CG LEU A 80 -10.174 10.204 1.151 1.00 52.20 C ATOM 1130 CD1 LEU A 80 -8.929 10.798 1.666 1.00 20.42 C ATOM 1131 CD2 LEU A 80 -10.502 10.851 -0.179 1.00 50.23 C ATOM 0 H LEU A 80 -11.692 8.280 2.650 1.00 61.13 H new ATOM 0 HA LEU A 80 -11.703 8.263 -0.082 1.00 72.42 H new ATOM 0 HB2 LEU A 80 -9.434 8.388 1.895 1.00 22.40 H new ATOM 0 HB3 LEU A 80 -9.181 8.633 0.178 1.00 22.40 H new ATOM 0 HG LEU A 80 -11.019 10.358 1.823 1.00 52.20 H new ATOM 0 HD11 LEU A 80 -9.069 11.870 1.808 1.00 20.42 H new ATOM 0 HD12 LEU A 80 -8.672 10.336 2.619 1.00 20.42 H new ATOM 0 HD13 LEU A 80 -8.123 10.629 0.952 1.00 20.42 H new ATOM 0 HD21 LEU A 80 -10.691 11.914 -0.030 1.00 50.23 H new ATOM 0 HD22 LEU A 80 -9.662 10.724 -0.862 1.00 50.23 H new ATOM 0 HD23 LEU A 80 -11.389 10.381 -0.604 1.00 50.23 H new ATOM 1143 N ALA A 81 -9.869 5.886 1.276 1.00 63.14 N ATOM 1144 CA ALA A 81 -9.177 4.610 1.158 1.00 43.44 C ATOM 1145 C ALA A 81 -9.926 3.635 0.287 1.00 41.35 C ATOM 1146 O ALA A 81 -9.336 3.005 -0.560 1.00 44.44 O ATOM 1147 CB ALA A 81 -8.957 3.997 2.533 1.00 23.30 C ATOM 0 H ALA A 81 -9.891 6.234 2.235 1.00 63.14 H new ATOM 0 HA ALA A 81 -8.216 4.812 0.686 1.00 43.44 H new ATOM 0 HB1 ALA A 81 -8.439 3.044 2.428 1.00 23.30 H new ATOM 0 HB2 ALA A 81 -8.355 4.672 3.140 1.00 23.30 H new ATOM 0 HB3 ALA A 81 -9.920 3.835 3.017 1.00 23.30 H new ATOM 1153 N ALA A 82 -11.234 3.547 0.468 1.00 15.43 N ATOM 1154 CA ALA A 82 -12.036 2.628 -0.313 1.00 5.11 C ATOM 1155 C ALA A 82 -11.996 2.983 -1.789 1.00 61.52 C ATOM 1156 O ALA A 82 -11.643 2.150 -2.601 1.00 32.15 O ATOM 1157 CB ALA A 82 -13.467 2.588 0.177 1.00 42.41 C ATOM 0 H ALA A 82 -11.758 4.099 1.147 1.00 15.43 H new ATOM 0 HA ALA A 82 -11.605 1.635 -0.185 1.00 5.11 H new ATOM 0 HB1 ALA A 82 -14.040 1.889 -0.431 1.00 42.41 H new ATOM 0 HB2 ALA A 82 -13.486 2.264 1.218 1.00 42.41 H new ATOM 0 HB3 ALA A 82 -13.907 3.582 0.098 1.00 42.41 H new ATOM 1163 N TRP A 83 -12.270 4.253 -2.116 1.00 35.50 N ATOM 1164 CA TRP A 83 -12.348 4.698 -3.526 1.00 14.20 C ATOM 1165 C TRP A 83 -10.962 4.531 -4.145 1.00 25.25 C ATOM 1166 O TRP A 83 -10.807 4.171 -5.312 1.00 21.22 O ATOM 1167 CB TRP A 83 -12.738 6.205 -3.684 1.00 25.22 C ATOM 1168 CG TRP A 83 -13.809 6.786 -2.797 1.00 1.34 C ATOM 1169 CD1 TRP A 83 -14.333 6.285 -1.654 1.00 52.12 C ATOM 1170 CD2 TRP A 83 -14.456 8.037 -3.006 1.00 22.44 C ATOM 1171 NE1 TRP A 83 -15.286 7.120 -1.162 1.00 43.33 N ATOM 1172 CE2 TRP A 83 -15.381 8.206 -1.974 1.00 22.30 C ATOM 1173 CE3 TRP A 83 -14.347 9.029 -3.981 1.00 65.12 C ATOM 1174 CZ2 TRP A 83 -16.191 9.320 -1.887 1.00 73.21 C ATOM 1175 CZ3 TRP A 83 -15.147 10.129 -3.891 1.00 33.40 C ATOM 1176 CH2 TRP A 83 -16.057 10.271 -2.858 1.00 23.54 C ATOM 0 H TRP A 83 -12.441 4.991 -1.433 1.00 35.50 H new ATOM 0 HA TRP A 83 -13.119 4.098 -4.010 1.00 14.20 H new ATOM 0 HB2 TRP A 83 -11.834 6.795 -3.535 1.00 25.22 H new ATOM 0 HB3 TRP A 83 -13.051 6.356 -4.717 1.00 25.22 H new ATOM 0 HD1 TRP A 83 -14.036 5.353 -1.197 1.00 52.12 H new ATOM 0 HE1 TRP A 83 -15.840 6.958 -0.321 1.00 43.33 H new ATOM 0 HE3 TRP A 83 -13.642 8.927 -4.792 1.00 65.12 H new ATOM 0 HZ2 TRP A 83 -16.903 9.435 -1.083 1.00 73.21 H new ATOM 0 HZ3 TRP A 83 -15.069 10.904 -4.639 1.00 33.40 H new ATOM 0 HH2 TRP A 83 -16.676 11.155 -2.819 1.00 23.54 H new ATOM 1187 N ASN A 84 -9.975 4.793 -3.316 1.00 73.41 N ATOM 1188 CA ASN A 84 -8.576 4.699 -3.660 1.00 32.20 C ATOM 1189 C ASN A 84 -8.165 3.257 -3.967 1.00 54.30 C ATOM 1190 O ASN A 84 -7.634 2.977 -5.040 1.00 65.50 O ATOM 1191 CB ASN A 84 -7.733 5.295 -2.520 1.00 61.53 C ATOM 1192 CG ASN A 84 -6.254 5.080 -2.691 1.00 42.52 C ATOM 1193 OD1 ASN A 84 -5.694 4.108 -2.181 1.00 43.42 O ATOM 1194 ND2 ASN A 84 -5.602 5.970 -3.393 1.00 13.23 N ATOM 0 H ASN A 84 -10.131 5.087 -2.352 1.00 73.41 H new ATOM 0 HA ASN A 84 -8.398 5.271 -4.570 1.00 32.20 H new ATOM 0 HB2 ASN A 84 -7.931 6.365 -2.453 1.00 61.53 H new ATOM 0 HB3 ASN A 84 -8.049 4.853 -1.575 1.00 61.53 H new ATOM 0 HD21 ASN A 84 -4.596 5.872 -3.533 1.00 13.23 H new ATOM 0 HD22 ASN A 84 -6.099 6.762 -3.800 1.00 13.23 H new ATOM 1201 N GLN A 85 -8.456 2.342 -3.054 1.00 13.21 N ATOM 1202 CA GLN A 85 -8.106 0.929 -3.220 1.00 72.54 C ATOM 1203 C GLN A 85 -8.882 0.308 -4.369 1.00 63.33 C ATOM 1204 O GLN A 85 -8.401 -0.620 -5.025 1.00 30.53 O ATOM 1205 CB GLN A 85 -8.329 0.149 -1.923 1.00 43.12 C ATOM 1206 CG GLN A 85 -7.455 0.627 -0.771 1.00 2.04 C ATOM 1207 CD GLN A 85 -7.739 -0.091 0.531 1.00 23.23 C ATOM 1208 OE1 GLN A 85 -8.127 -1.247 0.548 1.00 52.11 O ATOM 1209 NE2 GLN A 85 -7.559 0.597 1.634 1.00 4.21 N ATOM 0 H GLN A 85 -8.939 2.551 -2.180 1.00 13.21 H new ATOM 0 HA GLN A 85 -7.045 0.875 -3.463 1.00 72.54 H new ATOM 0 HB2 GLN A 85 -9.376 0.232 -1.633 1.00 43.12 H new ATOM 0 HB3 GLN A 85 -8.132 -0.907 -2.105 1.00 43.12 H new ATOM 0 HG2 GLN A 85 -6.407 0.485 -1.035 1.00 2.04 H new ATOM 0 HG3 GLN A 85 -7.606 1.697 -0.629 1.00 2.04 H new ATOM 0 HE21 GLN A 85 -7.233 1.562 1.585 1.00 4.21 H new ATOM 0 HE22 GLN A 85 -7.745 0.166 2.540 1.00 4.21 H new ATOM 1218 N LEU A 86 -10.061 0.854 -4.640 1.00 33.31 N ATOM 1219 CA LEU A 86 -10.877 0.424 -5.759 1.00 4.44 C ATOM 1220 C LEU A 86 -10.189 0.716 -7.102 1.00 15.03 C ATOM 1221 O LEU A 86 -10.510 0.099 -8.123 1.00 62.44 O ATOM 1222 CB LEU A 86 -12.270 1.037 -5.680 1.00 41.25 C ATOM 1223 CG LEU A 86 -13.130 0.524 -4.511 1.00 74.20 C ATOM 1224 CD1 LEU A 86 -14.409 1.304 -4.396 1.00 75.01 C ATOM 1225 CD2 LEU A 86 -13.432 -0.961 -4.660 1.00 42.12 C ATOM 0 H LEU A 86 -10.474 1.606 -4.089 1.00 33.31 H new ATOM 0 HA LEU A 86 -10.994 -0.658 -5.698 1.00 4.44 H new ATOM 0 HB2 LEU A 86 -12.172 2.119 -5.594 1.00 41.25 H new ATOM 0 HB3 LEU A 86 -12.794 0.837 -6.615 1.00 41.25 H new ATOM 0 HG LEU A 86 -12.555 0.668 -3.596 1.00 74.20 H new ATOM 0 HD11 LEU A 86 -14.996 0.919 -3.562 1.00 75.01 H new ATOM 0 HD12 LEU A 86 -14.180 2.356 -4.224 1.00 75.01 H new ATOM 0 HD13 LEU A 86 -14.981 1.204 -5.319 1.00 75.01 H new ATOM 0 HD21 LEU A 86 -14.041 -1.295 -3.820 1.00 42.12 H new ATOM 0 HD22 LEU A 86 -13.974 -1.131 -5.591 1.00 42.12 H new ATOM 0 HD23 LEU A 86 -12.498 -1.522 -4.677 1.00 42.12 H new ATOM 1237 N MET A 87 -9.219 1.636 -7.091 1.00 41.02 N ATOM 1238 CA MET A 87 -8.407 1.900 -8.271 1.00 54.13 C ATOM 1239 C MET A 87 -7.379 0.814 -8.455 1.00 73.02 C ATOM 1240 O MET A 87 -7.218 0.299 -9.531 1.00 50.33 O ATOM 1241 CB MET A 87 -7.712 3.261 -8.248 1.00 42.14 C ATOM 1242 CG MET A 87 -8.618 4.434 -8.515 1.00 35.12 C ATOM 1243 SD MET A 87 -7.684 5.949 -8.786 1.00 74.32 S ATOM 1244 CE MET A 87 -8.986 7.027 -9.358 1.00 54.15 C ATOM 0 H MET A 87 -8.982 2.206 -6.279 1.00 41.02 H new ATOM 0 HA MET A 87 -9.100 1.914 -9.112 1.00 54.13 H new ATOM 0 HB2 MET A 87 -7.241 3.397 -7.274 1.00 42.14 H new ATOM 0 HB3 MET A 87 -6.914 3.259 -8.991 1.00 42.14 H new ATOM 0 HG2 MET A 87 -9.235 4.226 -9.389 1.00 35.12 H new ATOM 0 HG3 MET A 87 -9.295 4.570 -7.672 1.00 35.12 H new ATOM 0 HE1 MET A 87 -8.561 7.809 -9.987 1.00 54.15 H new ATOM 0 HE2 MET A 87 -9.709 6.450 -9.935 1.00 54.15 H new ATOM 0 HE3 MET A 87 -9.485 7.481 -8.502 1.00 54.15 H new ATOM 1254 N LEU A 88 -6.708 0.440 -7.388 1.00 60.51 N ATOM 1255 CA LEU A 88 -5.715 -0.653 -7.446 1.00 22.32 C ATOM 1256 C LEU A 88 -6.409 -2.004 -7.669 1.00 50.10 C ATOM 1257 O LEU A 88 -5.782 -2.998 -7.973 1.00 25.23 O ATOM 1258 CB LEU A 88 -4.769 -0.683 -6.196 1.00 71.04 C ATOM 1259 CG LEU A 88 -3.870 0.570 -5.934 1.00 4.43 C ATOM 1260 CD1 LEU A 88 -3.191 1.029 -7.189 1.00 42.14 C ATOM 1261 CD2 LEU A 88 -4.638 1.703 -5.271 1.00 72.41 C ATOM 0 H LEU A 88 -6.818 0.863 -6.466 1.00 60.51 H new ATOM 0 HA LEU A 88 -5.070 -0.455 -8.302 1.00 22.32 H new ATOM 0 HB2 LEU A 88 -5.386 -0.844 -5.312 1.00 71.04 H new ATOM 0 HB3 LEU A 88 -4.116 -1.551 -6.291 1.00 71.04 H new ATOM 0 HG LEU A 88 -3.096 0.261 -5.231 1.00 4.43 H new ATOM 0 HD11 LEU A 88 -2.575 1.901 -6.971 1.00 42.14 H new ATOM 0 HD12 LEU A 88 -2.562 0.228 -7.576 1.00 42.14 H new ATOM 0 HD13 LEU A 88 -3.942 1.293 -7.934 1.00 42.14 H new ATOM 0 HD21 LEU A 88 -3.971 2.550 -5.110 1.00 72.41 H new ATOM 0 HD22 LEU A 88 -5.463 2.009 -5.914 1.00 72.41 H new ATOM 0 HD23 LEU A 88 -5.031 1.364 -4.313 1.00 72.41 H new ATOM 1273 N SER A 89 -7.718 -2.011 -7.536 1.00 54.33 N ATOM 1274 CA SER A 89 -8.514 -3.189 -7.791 1.00 34.43 C ATOM 1275 C SER A 89 -8.828 -3.358 -9.309 1.00 72.11 C ATOM 1276 O SER A 89 -9.686 -4.173 -9.687 1.00 4.12 O ATOM 1277 CB SER A 89 -9.817 -3.110 -6.993 1.00 31.44 C ATOM 1278 OG SER A 89 -9.573 -3.005 -5.600 1.00 3.21 O ATOM 0 H SER A 89 -8.260 -1.197 -7.247 1.00 54.33 H new ATOM 0 HA SER A 89 -7.938 -4.059 -7.475 1.00 34.43 H new ATOM 0 HB2 SER A 89 -10.397 -2.249 -7.327 1.00 31.44 H new ATOM 0 HB3 SER A 89 -10.420 -3.996 -7.191 1.00 31.44 H new ATOM 0 HG SER A 89 -9.208 -2.118 -5.398 1.00 3.21 H new ATOM 1284 N ARG A 90 -8.166 -2.582 -10.179 1.00 3.25 N ATOM 1285 CA ARG A 90 -8.392 -2.748 -11.615 1.00 41.44 C ATOM 1286 C ARG A 90 -7.373 -3.660 -12.261 1.00 64.40 C ATOM 1287 O ARG A 90 -7.668 -4.311 -13.256 1.00 64.11 O ATOM 1288 CB ARG A 90 -8.608 -1.402 -12.384 1.00 40.02 C ATOM 1289 CG ARG A 90 -7.486 -0.370 -12.336 1.00 64.25 C ATOM 1290 CD ARG A 90 -6.342 -0.664 -13.272 1.00 31.32 C ATOM 1291 NE ARG A 90 -5.224 0.256 -13.042 1.00 61.41 N ATOM 1292 CZ ARG A 90 -4.815 1.217 -13.867 1.00 10.12 C ATOM 1293 NH1 ARG A 90 -5.506 1.512 -14.983 1.00 53.14 N1+ ATOM 1294 NH2 ARG A 90 -3.743 1.909 -13.549 1.00 52.43 N ATOM 0 H ARG A 90 -7.494 -1.859 -9.923 1.00 3.25 H new ATOM 0 HA ARG A 90 -9.349 -3.262 -11.702 1.00 41.44 H new ATOM 0 HB2 ARG A 90 -8.800 -1.641 -13.430 1.00 40.02 H new ATOM 0 HB3 ARG A 90 -9.511 -0.934 -11.993 1.00 40.02 H new ATOM 0 HG2 ARG A 90 -7.897 0.610 -12.578 1.00 64.25 H new ATOM 0 HG3 ARG A 90 -7.103 -0.312 -11.317 1.00 64.25 H new ATOM 0 HD2 ARG A 90 -6.007 -1.691 -13.131 1.00 31.32 H new ATOM 0 HD3 ARG A 90 -6.681 -0.579 -14.304 1.00 31.32 H new ATOM 0 HE ARG A 90 -4.711 0.150 -12.167 1.00 61.41 H new ATOM 0 HH11 ARG A 90 -6.357 0.996 -15.207 1.00 53.14 H new ATOM 0 HH12 ARG A 90 -5.179 2.251 -15.605 1.00 53.14 H new ATOM 0 HH21 ARG A 90 -3.242 1.705 -12.684 1.00 52.43 H new ATOM 0 HH22 ARG A 90 -3.412 2.650 -14.167 1.00 52.43 H new ATOM 1308 N SER A 91 -6.192 -3.724 -11.685 1.00 3.41 N ATOM 1309 CA SER A 91 -5.140 -4.585 -12.182 1.00 25.14 C ATOM 1310 C SER A 91 -4.040 -4.595 -11.156 1.00 24.30 C ATOM 1311 O SER A 91 -4.042 -3.724 -10.294 1.00 51.11 O ATOM 1312 CB SER A 91 -4.600 -4.061 -13.541 1.00 53.55 C ATOM 1313 OG SER A 91 -4.090 -2.737 -13.429 1.00 43.43 O ATOM 0 H SER A 91 -5.934 -3.182 -10.860 1.00 3.41 H new ATOM 0 HA SER A 91 -5.523 -5.592 -12.346 1.00 25.14 H new ATOM 0 HB2 SER A 91 -3.814 -4.725 -13.901 1.00 53.55 H new ATOM 0 HB3 SER A 91 -5.399 -4.082 -14.283 1.00 53.55 H new ATOM 0 HG SER A 91 -4.331 -2.225 -14.229 1.00 43.43 H new ATOM 1319 N PRO A 92 -3.121 -5.586 -11.181 1.00 55.22 N ATOM 1320 CA PRO A 92 -1.956 -5.561 -10.307 1.00 33.15 C ATOM 1321 C PRO A 92 -1.148 -4.302 -10.583 1.00 50.34 C ATOM 1322 O PRO A 92 -0.686 -4.084 -11.712 1.00 31.21 O ATOM 1323 CB PRO A 92 -1.162 -6.811 -10.715 1.00 21.14 C ATOM 1324 CG PRO A 92 -2.165 -7.703 -11.358 1.00 42.31 C ATOM 1325 CD PRO A 92 -3.152 -6.793 -12.027 1.00 20.12 C ATOM 0 HA PRO A 92 -2.207 -5.558 -9.246 1.00 33.15 H new ATOM 0 HB2 PRO A 92 -0.356 -6.560 -11.404 1.00 21.14 H new ATOM 0 HB3 PRO A 92 -0.704 -7.289 -9.849 1.00 21.14 H new ATOM 0 HG2 PRO A 92 -1.691 -8.366 -12.082 1.00 42.31 H new ATOM 0 HG3 PRO A 92 -2.656 -8.336 -10.619 1.00 42.31 H new ATOM 0 HD2 PRO A 92 -2.864 -6.572 -13.055 1.00 20.12 H new ATOM 0 HD3 PRO A 92 -4.148 -7.235 -12.063 1.00 20.12 H new ATOM 1333 N GLU A 93 -1.025 -3.494 -9.589 1.00 71.34 N ATOM 1334 CA GLU A 93 -0.381 -2.239 -9.658 1.00 3.24 C ATOM 1335 C GLU A 93 0.140 -2.041 -8.275 1.00 12.44 C ATOM 1336 O GLU A 93 1.081 -1.274 -8.065 1.00 4.54 O ATOM 1337 CB GLU A 93 -1.407 -1.133 -9.991 1.00 31.02 C ATOM 1338 CG GLU A 93 -0.788 0.231 -10.274 1.00 63.51 C ATOM 1339 CD GLU A 93 -1.804 1.348 -10.381 1.00 61.31 C ATOM 1340 OE1 GLU A 93 -1.689 2.350 -9.610 1.00 5.30 O ATOM 1341 OE2 GLU A 93 -2.707 1.279 -11.247 1.00 4.54 O1- ATOM 1342 OXT GLU A 93 -0.411 -2.716 -7.360 1.00 37.23 O1- ATOM 0 H GLU A 93 -1.391 -3.706 -8.661 1.00 71.34 H new ATOM 0 HA GLU A 93 0.394 -2.199 -10.423 1.00 3.24 H new ATOM 0 HB2 GLU A 93 -1.989 -1.442 -10.859 1.00 31.02 H new ATOM 0 HB3 GLU A 93 -2.104 -1.037 -9.158 1.00 31.02 H new ATOM 0 HG2 GLU A 93 -0.079 0.471 -9.481 1.00 63.51 H new ATOM 0 HG3 GLU A 93 -0.220 0.177 -11.203 1.00 63.51 H new TER 1349 GLU A 93