USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 469 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 8 MET CE :methyl 162:sc=-0.00448 (180deg=-0.0341) USER MOD Set 1.2: A 76 SER OG : rot -170:sc=-0.00466 USER MOD Set 2.1: A 61 MET CE :methyl 152:sc= -0.763 (180deg=-0.557) USER MOD Set 2.2: A 66 HIS : no HD1:sc= -0.213 X(o=-1.1,f=-0.9) USER MOD Set 2.3: A 79 TYR OH : rot 180:sc= -0.119 USER MOD Set 3.1: A 25 HIS : no HD1:sc= 0.502 K(o=2.1,f=-2.3) USER MOD Set 3.2: A 64 ASN : amide:sc= 1.59 K(o=2.1,f=-0.51) USER MOD Single : A 2 ASN : amide:sc= 0.417 K(o=0.42,f=-0.44) USER MOD Single : A 5 MET CE :methyl -158:sc= 0 (180deg=-0.488) USER MOD Single : A 11 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.0015) USER MOD Single : A 14 THR OG1 : rot -70:sc= 1.19 USER MOD Single : A 21 GLN : amide:sc=-0.00859 K(o=-0.0086,f=-1.3) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 1.19 K(o=1.2,f=-0.025) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0848 X(o=-0.085,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.721 K(o=0.72,f=-0.02) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 31:sc= 0.0453 USER MOD Single : A 69 ASN : amide:sc= 0.47 K(o=0.47,f=-1.8!) USER MOD Single : A 73 GLN : amide:sc= -1.04 K(o=-1,f=-0.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -166:sc= 0 (180deg=-0.195) USER MOD Single : A 78 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.011) USER MOD Single : A 80 SER OG : rot 168:sc= 0.0069 USER MOD ----------------------------------------------------------------- ATOM 11 N ASN A 2 -6.547 6.551 -0.078 1.00 32.10 N ATOM 12 CA ASN A 2 -6.590 5.835 1.205 1.00 15.31 C ATOM 13 C ASN A 2 -5.923 4.463 1.099 1.00 3.41 C ATOM 14 O ASN A 2 -5.807 3.799 2.120 1.00 61.15 O ATOM 15 CB ASN A 2 -8.046 5.737 1.721 1.00 41.23 C ATOM 16 CG ASN A 2 -8.287 5.513 3.196 1.00 32.44 C ATOM 17 OD1 ASN A 2 -9.037 6.251 3.824 1.00 0.13 O ATOM 18 ND2 ASN A 2 -7.769 4.461 3.783 1.00 4.31 N ATOM 0 HA ASN A 2 -6.018 6.405 1.938 1.00 15.31 H new ATOM 0 HB2 ASN A 2 -8.557 6.658 1.440 1.00 41.23 H new ATOM 0 HB3 ASN A 2 -8.533 4.925 1.181 1.00 41.23 H new ATOM 0 HD21 ASN A 2 -7.991 4.260 4.758 1.00 4.31 H new ATOM 0 HD22 ASN A 2 -7.144 3.844 3.264 1.00 4.31 H new ATOM 24 N ILE A 3 -5.440 4.035 -0.072 1.00 74.42 N ATOM 25 CA ILE A 3 -4.820 2.728 -0.238 1.00 64.32 C ATOM 26 C ILE A 3 -3.581 2.896 -1.102 1.00 35.52 C ATOM 27 O ILE A 3 -3.640 3.561 -2.140 1.00 51.03 O ATOM 28 CB ILE A 3 -5.828 1.728 -0.840 1.00 35.53 C ATOM 29 CG1 ILE A 3 -6.902 1.411 0.221 1.00 31.43 C ATOM 30 CG2 ILE A 3 -5.126 0.422 -1.270 1.00 52.22 C ATOM 31 CD1 ILE A 3 -7.969 0.391 -0.169 1.00 41.45 C ATOM 0 H ILE A 3 -5.471 4.589 -0.928 1.00 74.42 H new ATOM 0 HA ILE A 3 -4.519 2.318 0.726 1.00 64.32 H new ATOM 0 HB ILE A 3 -6.284 2.174 -1.724 1.00 35.53 H new ATOM 0 HG12 ILE A 3 -6.399 1.051 1.118 1.00 31.43 H new ATOM 0 HG13 ILE A 3 -7.402 2.342 0.488 1.00 31.43 H new ATOM 0 HG21 ILE A 3 -5.861 -0.264 -1.691 1.00 52.22 H new ATOM 0 HG22 ILE A 3 -4.368 0.646 -2.020 1.00 52.22 H new ATOM 0 HG23 ILE A 3 -4.653 -0.039 -0.403 1.00 52.22 H new ATOM 0 HD11 ILE A 3 -8.663 0.256 0.660 1.00 41.45 H new ATOM 0 HD12 ILE A 3 -8.513 0.749 -1.043 1.00 41.45 H new ATOM 0 HD13 ILE A 3 -7.494 -0.562 -0.403 1.00 41.45 H new ATOM 42 N VAL A 4 -2.493 2.258 -0.685 1.00 63.45 N ATOM 43 CA VAL A 4 -1.343 1.957 -1.518 1.00 35.24 C ATOM 44 C VAL A 4 -1.334 0.441 -1.687 1.00 23.54 C ATOM 45 O VAL A 4 -1.182 -0.300 -0.713 1.00 40.05 O ATOM 46 CB VAL A 4 -0.063 2.556 -0.917 1.00 60.33 C ATOM 47 CG1 VAL A 4 1.135 2.078 -1.734 1.00 55.00 C ATOM 48 CG2 VAL A 4 -0.152 4.089 -0.991 1.00 51.32 C ATOM 0 H VAL A 4 -2.388 1.927 0.274 1.00 63.45 H new ATOM 0 HA VAL A 4 -1.397 2.415 -2.506 1.00 35.24 H new ATOM 0 HB VAL A 4 0.051 2.243 0.121 1.00 60.33 H new ATOM 0 HG11 VAL A 4 2.051 2.497 -1.317 1.00 55.00 H new ATOM 0 HG12 VAL A 4 1.186 0.990 -1.702 1.00 55.00 H new ATOM 0 HG13 VAL A 4 1.024 2.406 -2.768 1.00 55.00 H new ATOM 0 HG21 VAL A 4 0.752 4.527 -0.567 1.00 51.32 H new ATOM 0 HG22 VAL A 4 -0.251 4.398 -2.032 1.00 51.32 H new ATOM 0 HG23 VAL A 4 -1.020 4.431 -0.427 1.00 51.32 H new ATOM 58 N MET A 5 -1.557 -0.019 -2.917 1.00 73.34 N ATOM 59 CA MET A 5 -1.301 -1.392 -3.312 1.00 11.23 C ATOM 60 C MET A 5 0.151 -1.450 -3.767 1.00 3.22 C ATOM 61 O MET A 5 0.534 -0.713 -4.677 1.00 52.20 O ATOM 62 CB MET A 5 -2.272 -1.823 -4.420 1.00 23.13 C ATOM 63 CG MET A 5 -2.269 -3.342 -4.591 1.00 4.34 C ATOM 64 SD MET A 5 -3.531 -3.991 -5.716 1.00 13.12 S ATOM 65 CE MET A 5 -2.648 -3.933 -7.289 1.00 63.31 C ATOM 0 H MET A 5 -1.924 0.562 -3.671 1.00 73.34 H new ATOM 0 HA MET A 5 -1.461 -2.084 -2.485 1.00 11.23 H new ATOM 0 HB2 MET A 5 -3.279 -1.483 -4.179 1.00 23.13 H new ATOM 0 HB3 MET A 5 -1.991 -1.347 -5.360 1.00 23.13 H new ATOM 0 HG2 MET A 5 -1.288 -3.649 -4.954 1.00 4.34 H new ATOM 0 HG3 MET A 5 -2.405 -3.802 -3.612 1.00 4.34 H new ATOM 0 HE1 MET A 5 -3.366 -3.918 -8.109 1.00 63.31 H new ATOM 0 HE2 MET A 5 -2.033 -3.034 -7.328 1.00 63.31 H new ATOM 0 HE3 MET A 5 -2.011 -4.813 -7.381 1.00 63.31 H new ATOM 73 N LEU A 6 0.974 -2.276 -3.122 1.00 51.11 N ATOM 74 CA LEU A 6 2.348 -2.511 -3.560 1.00 21.23 C ATOM 75 C LEU A 6 2.317 -3.702 -4.494 1.00 75.41 C ATOM 76 O LEU A 6 1.828 -4.751 -4.087 1.00 14.01 O ATOM 77 CB LEU A 6 3.267 -2.857 -2.374 1.00 2.42 C ATOM 78 CG LEU A 6 3.464 -1.773 -1.304 1.00 14.03 C ATOM 79 CD1 LEU A 6 4.537 -2.244 -0.322 1.00 32.54 C ATOM 80 CD2 LEU A 6 3.885 -0.441 -1.917 1.00 71.32 C ATOM 0 H LEU A 6 0.709 -2.798 -2.287 1.00 51.11 H new ATOM 0 HA LEU A 6 2.733 -1.611 -4.039 1.00 21.23 H new ATOM 0 HB2 LEU A 6 2.869 -3.746 -1.886 1.00 2.42 H new ATOM 0 HB3 LEU A 6 4.247 -3.123 -2.771 1.00 2.42 H new ATOM 0 HG LEU A 6 2.514 -1.616 -0.794 1.00 14.03 H new ATOM 0 HD11 LEU A 6 4.688 -1.484 0.444 1.00 32.54 H new ATOM 0 HD12 LEU A 6 4.217 -3.174 0.148 1.00 32.54 H new ATOM 0 HD13 LEU A 6 5.472 -2.410 -0.857 1.00 32.54 H new ATOM 0 HD21 LEU A 6 4.014 0.299 -1.127 1.00 71.32 H new ATOM 0 HD22 LEU A 6 4.826 -0.568 -2.452 1.00 71.32 H new ATOM 0 HD23 LEU A 6 3.116 -0.101 -2.611 1.00 71.32 H new ATOM 91 N ARG A 7 2.819 -3.570 -5.720 1.00 1.24 N ATOM 92 CA ARG A 7 2.942 -4.659 -6.686 1.00 71.21 C ATOM 93 C ARG A 7 4.409 -5.017 -6.845 1.00 53.32 C ATOM 94 O ARG A 7 5.260 -4.139 -6.709 1.00 15.21 O ATOM 95 CB ARG A 7 2.363 -4.234 -8.044 1.00 33.11 C ATOM 96 CG ARG A 7 0.879 -3.859 -7.949 1.00 42.21 C ATOM 97 CD ARG A 7 0.281 -3.595 -9.333 1.00 52.03 C ATOM 98 NE ARG A 7 -0.059 -4.844 -10.034 1.00 75.44 N ATOM 99 CZ ARG A 7 -0.642 -4.941 -11.233 1.00 53.33 C ATOM 100 NH1 ARG A 7 -0.830 -3.873 -11.993 1.00 75.30 N ATOM 101 NH2 ARG A 7 -1.029 -6.129 -11.669 1.00 75.54 N ATOM 0 H ARG A 7 3.161 -2.678 -6.078 1.00 1.24 H new ATOM 0 HA ARG A 7 2.386 -5.525 -6.326 1.00 71.21 H new ATOM 0 HB2 ARG A 7 2.927 -3.384 -8.428 1.00 33.11 H new ATOM 0 HB3 ARG A 7 2.486 -5.047 -8.760 1.00 33.11 H new ATOM 0 HG2 ARG A 7 0.329 -4.664 -7.461 1.00 42.21 H new ATOM 0 HG3 ARG A 7 0.765 -2.972 -7.326 1.00 42.21 H new ATOM 0 HD2 ARG A 7 -0.614 -2.982 -9.230 1.00 52.03 H new ATOM 0 HD3 ARG A 7 0.991 -3.025 -9.932 1.00 52.03 H new ATOM 0 HE ARG A 7 0.172 -5.717 -9.560 1.00 75.44 H new ATOM 0 HH11 ARG A 7 -0.528 -2.955 -11.666 1.00 75.30 H new ATOM 0 HH12 ARG A 7 -1.277 -3.968 -12.905 1.00 75.30 H new ATOM 0 HH21 ARG A 7 -0.881 -6.957 -11.092 1.00 75.54 H new ATOM 0 HH22 ARG A 7 -1.475 -6.217 -12.582 1.00 75.54 H new ATOM 112 N MET A 8 4.680 -6.265 -7.232 1.00 41.31 N ATOM 113 CA MET A 8 6.021 -6.834 -7.369 1.00 54.20 C ATOM 114 C MET A 8 6.677 -6.959 -5.996 1.00 20.13 C ATOM 115 O MET A 8 7.687 -6.315 -5.714 1.00 43.12 O ATOM 116 CB MET A 8 6.883 -6.066 -8.393 1.00 2.11 C ATOM 117 CG MET A 8 6.114 -5.801 -9.687 1.00 1.42 C ATOM 118 SD MET A 8 7.170 -5.490 -11.118 1.00 61.41 S ATOM 119 CE MET A 8 7.455 -3.711 -10.948 1.00 4.12 C ATOM 0 H MET A 8 3.944 -6.931 -7.467 1.00 41.31 H new ATOM 0 HA MET A 8 5.931 -7.839 -7.780 1.00 54.20 H new ATOM 0 HB2 MET A 8 7.206 -5.119 -7.960 1.00 2.11 H new ATOM 0 HB3 MET A 8 7.783 -6.639 -8.615 1.00 2.11 H new ATOM 0 HG2 MET A 8 5.475 -6.658 -9.900 1.00 1.42 H new ATOM 0 HG3 MET A 8 5.458 -4.943 -9.539 1.00 1.42 H new ATOM 0 HE1 MET A 8 8.322 -3.423 -11.543 1.00 4.12 H new ATOM 0 HE2 MET A 8 6.578 -3.167 -11.298 1.00 4.12 H new ATOM 0 HE3 MET A 8 7.637 -3.470 -9.901 1.00 4.12 H new ATOM 127 N LEU A 9 6.076 -7.774 -5.121 1.00 64.51 N ATOM 128 CA LEU A 9 6.583 -7.998 -3.771 1.00 12.11 C ATOM 129 C LEU A 9 7.189 -9.402 -3.661 1.00 64.12 C ATOM 130 O LEU A 9 6.575 -10.361 -4.153 1.00 3.32 O ATOM 131 CB LEU A 9 5.382 -7.831 -2.813 1.00 20.11 C ATOM 132 CG LEU A 9 5.549 -6.821 -1.669 1.00 52.34 C ATOM 133 CD1 LEU A 9 6.090 -5.459 -2.107 1.00 15.11 C ATOM 134 CD2 LEU A 9 4.165 -6.577 -1.068 1.00 2.24 C ATOM 0 H LEU A 9 5.225 -8.295 -5.333 1.00 64.51 H new ATOM 0 HA LEU A 9 7.372 -7.290 -3.518 1.00 12.11 H new ATOM 0 HB2 LEU A 9 4.514 -7.537 -3.403 1.00 20.11 H new ATOM 0 HB3 LEU A 9 5.156 -8.804 -2.378 1.00 20.11 H new ATOM 0 HG LEU A 9 6.270 -7.249 -0.972 1.00 52.34 H new ATOM 0 HD11 LEU A 9 6.177 -4.806 -1.239 1.00 15.11 H new ATOM 0 HD12 LEU A 9 7.071 -5.587 -2.565 1.00 15.11 H new ATOM 0 HD13 LEU A 9 5.408 -5.012 -2.830 1.00 15.11 H new ATOM 0 HD21 LEU A 9 4.245 -5.862 -0.249 1.00 2.24 H new ATOM 0 HD22 LEU A 9 3.501 -6.178 -1.835 1.00 2.24 H new ATOM 0 HD23 LEU A 9 3.761 -7.517 -0.691 1.00 2.24 H new ATOM 145 N PRO A 10 8.296 -9.583 -2.917 1.00 14.32 N ATOM 146 CA PRO A 10 8.928 -10.876 -2.738 1.00 14.35 C ATOM 147 C PRO A 10 8.170 -11.704 -1.713 1.00 72.23 C ATOM 148 O PRO A 10 7.529 -11.183 -0.796 1.00 1.45 O ATOM 149 CB PRO A 10 10.349 -10.592 -2.250 1.00 73.01 C ATOM 150 CG PRO A 10 10.205 -9.260 -1.521 1.00 14.23 C ATOM 151 CD PRO A 10 9.105 -8.547 -2.303 1.00 42.22 C ATOM 0 HA PRO A 10 8.933 -11.445 -3.668 1.00 14.35 H new ATOM 0 HB2 PRO A 10 10.712 -11.377 -1.587 1.00 73.01 H new ATOM 0 HB3 PRO A 10 11.054 -10.524 -3.079 1.00 73.01 H new ATOM 0 HG2 PRO A 10 9.928 -9.401 -0.476 1.00 14.23 H new ATOM 0 HG3 PRO A 10 11.136 -8.694 -1.530 1.00 14.23 H new ATOM 0 HD2 PRO A 10 8.501 -7.924 -1.643 1.00 42.22 H new ATOM 0 HD3 PRO A 10 9.532 -7.889 -3.060 1.00 42.22 H new ATOM 156 N GLN A 11 8.335 -13.015 -1.834 1.00 60.31 N ATOM 157 CA GLN A 11 7.672 -13.986 -0.976 1.00 35.01 C ATOM 158 C GLN A 11 8.205 -13.925 0.458 1.00 2.45 C ATOM 159 O GLN A 11 7.503 -14.339 1.378 1.00 74.00 O ATOM 160 CB GLN A 11 7.850 -15.390 -1.580 1.00 73.24 C ATOM 161 CG GLN A 11 6.967 -16.484 -0.965 1.00 44.54 C ATOM 162 CD GLN A 11 5.509 -16.343 -1.377 1.00 73.54 C ATOM 163 OE1 GLN A 11 5.071 -16.990 -2.322 1.00 34.24 O ATOM 164 NE2 GLN A 11 4.736 -15.494 -0.719 1.00 55.00 N ATOM 0 H GLN A 11 8.940 -13.438 -2.538 1.00 60.31 H new ATOM 0 HA GLN A 11 6.609 -13.749 -0.924 1.00 35.01 H new ATOM 0 HB2 GLN A 11 7.643 -15.337 -2.649 1.00 73.24 H new ATOM 0 HB3 GLN A 11 8.894 -15.685 -1.472 1.00 73.24 H new ATOM 0 HG2 GLN A 11 7.337 -17.462 -1.272 1.00 44.54 H new ATOM 0 HG3 GLN A 11 7.042 -16.441 0.122 1.00 44.54 H new ATOM 0 HE21 GLN A 11 5.114 -14.963 0.065 1.00 55.00 H new ATOM 0 HE22 GLN A 11 3.762 -15.371 -0.996 1.00 55.00 H new ATOM 171 N ALA A 12 9.433 -13.425 0.636 1.00 31.34 N ATOM 172 CA ALA A 12 10.117 -13.400 1.919 1.00 60.32 C ATOM 173 C ALA A 12 9.786 -12.153 2.750 1.00 62.04 C ATOM 174 O ALA A 12 9.924 -12.227 3.971 1.00 33.31 O ATOM 175 CB ALA A 12 11.629 -13.504 1.678 1.00 14.55 C ATOM 0 H ALA A 12 9.982 -13.022 -0.123 1.00 31.34 H new ATOM 0 HA ALA A 12 9.767 -14.252 2.502 1.00 60.32 H new ATOM 0 HB1 ALA A 12 12.152 -13.486 2.634 1.00 14.55 H new ATOM 0 HB2 ALA A 12 11.852 -14.437 1.160 1.00 14.55 H new ATOM 0 HB3 ALA A 12 11.959 -12.663 1.068 1.00 14.55 H new ATOM 181 N ALA A 13 9.363 -11.033 2.140 1.00 60.00 N ATOM 182 CA ALA A 13 9.090 -9.803 2.894 1.00 54.14 C ATOM 183 C ALA A 13 7.946 -10.014 3.888 1.00 0.22 C ATOM 184 O ALA A 13 7.061 -10.850 3.666 1.00 55.21 O ATOM 185 CB ALA A 13 8.745 -8.647 1.951 1.00 35.01 C ATOM 0 H ALA A 13 9.204 -10.956 1.135 1.00 60.00 H new ATOM 0 HA ALA A 13 9.995 -9.549 3.446 1.00 54.14 H new ATOM 0 HB1 ALA A 13 8.547 -7.748 2.535 1.00 35.01 H new ATOM 0 HB2 ALA A 13 9.582 -8.465 1.277 1.00 35.01 H new ATOM 0 HB3 ALA A 13 7.860 -8.904 1.369 1.00 35.01 H new ATOM 191 N THR A 14 7.933 -9.227 4.955 1.00 62.44 N ATOM 192 CA THR A 14 7.034 -9.381 6.084 1.00 64.40 C ATOM 193 C THR A 14 6.212 -8.124 6.271 1.00 11.45 C ATOM 194 O THR A 14 6.581 -7.053 5.796 1.00 0.25 O ATOM 195 CB THR A 14 7.858 -9.728 7.338 1.00 1.25 C ATOM 196 OG1 THR A 14 8.819 -8.730 7.639 1.00 55.54 O ATOM 197 CG2 THR A 14 8.534 -11.091 7.179 1.00 44.21 C ATOM 0 H THR A 14 8.571 -8.438 5.059 1.00 62.44 H new ATOM 0 HA THR A 14 6.334 -10.196 5.901 1.00 64.40 H new ATOM 0 HB THR A 14 7.163 -9.773 8.177 1.00 1.25 H new ATOM 0 HG1 THR A 14 9.525 -8.741 6.960 1.00 55.54 H new ATOM 0 HG21 THR A 14 9.111 -11.318 8.075 1.00 44.21 H new ATOM 0 HG22 THR A 14 7.774 -11.859 7.033 1.00 44.21 H new ATOM 0 HG23 THR A 14 9.199 -11.069 6.315 1.00 44.21 H new ATOM 205 N GLU A 15 5.099 -8.246 6.996 1.00 62.31 N ATOM 206 CA GLU A 15 4.301 -7.115 7.428 1.00 41.24 C ATOM 207 C GLU A 15 5.180 -5.993 7.996 1.00 60.22 C ATOM 208 O GLU A 15 4.948 -4.808 7.756 1.00 13.32 O ATOM 209 CB GLU A 15 3.330 -7.604 8.513 1.00 42.34 C ATOM 210 CG GLU A 15 1.955 -6.998 8.281 1.00 55.40 C ATOM 211 CD GLU A 15 1.082 -7.018 9.533 1.00 35.01 C ATOM 212 OE1 GLU A 15 1.544 -6.637 10.638 1.00 41.24 O ATOM 213 OE2 GLU A 15 -0.091 -7.417 9.399 1.00 73.32 O ATOM 0 H GLU A 15 4.728 -9.147 7.299 1.00 62.31 H new ATOM 0 HA GLU A 15 3.761 -6.711 6.572 1.00 41.24 H new ATOM 0 HB2 GLU A 15 3.266 -8.692 8.494 1.00 42.34 H new ATOM 0 HB3 GLU A 15 3.700 -7.323 9.499 1.00 42.34 H new ATOM 0 HG2 GLU A 15 2.069 -5.969 7.939 1.00 55.40 H new ATOM 0 HG3 GLU A 15 1.452 -7.545 7.484 1.00 55.40 H new ATOM 218 N ASP A 16 6.201 -6.417 8.739 1.00 53.50 N ATOM 219 CA ASP A 16 7.128 -5.613 9.510 1.00 54.21 C ATOM 220 C ASP A 16 8.031 -4.756 8.622 1.00 11.15 C ATOM 221 O ASP A 16 8.289 -3.596 8.950 1.00 31.25 O ATOM 222 CB ASP A 16 7.933 -6.568 10.401 1.00 63.42 C ATOM 223 CG ASP A 16 8.254 -5.906 11.726 1.00 54.50 C ATOM 224 OD1 ASP A 16 7.273 -5.610 12.439 1.00 20.01 O ATOM 225 OD2 ASP A 16 9.443 -5.731 12.065 1.00 2.14 O ATOM 0 H ASP A 16 6.412 -7.412 8.819 1.00 53.50 H new ATOM 0 HA ASP A 16 6.578 -4.900 10.125 1.00 54.21 H new ATOM 0 HB2 ASP A 16 7.365 -7.483 10.572 1.00 63.42 H new ATOM 0 HB3 ASP A 16 8.856 -6.855 9.897 1.00 63.42 H new ATOM 229 N ASP A 17 8.417 -5.299 7.459 1.00 54.44 N ATOM 230 CA ASP A 17 9.249 -4.642 6.444 1.00 3.23 C ATOM 231 C ASP A 17 8.545 -3.422 5.855 1.00 41.30 C ATOM 232 O ASP A 17 9.194 -2.504 5.348 1.00 53.23 O ATOM 233 CB ASP A 17 9.522 -5.569 5.247 1.00 2.25 C ATOM 234 CG ASP A 17 10.605 -6.616 5.470 1.00 71.31 C ATOM 235 OD1 ASP A 17 11.794 -6.257 5.383 1.00 73.14 O ATOM 236 OD2 ASP A 17 10.257 -7.808 5.676 1.00 40.31 O ATOM 0 H ASP A 17 8.147 -6.245 7.190 1.00 54.44 H new ATOM 0 HA ASP A 17 10.172 -4.370 6.956 1.00 3.23 H new ATOM 0 HB2 ASP A 17 8.595 -6.079 4.984 1.00 2.25 H new ATOM 0 HB3 ASP A 17 9.803 -4.956 4.390 1.00 2.25 H new ATOM 240 N ILE A 18 7.212 -3.439 5.843 1.00 34.32 N ATOM 241 CA ILE A 18 6.381 -2.313 5.444 1.00 32.04 C ATOM 242 C ILE A 18 6.238 -1.371 6.629 1.00 31.32 C ATOM 243 O ILE A 18 6.402 -0.167 6.453 1.00 53.54 O ATOM 244 CB ILE A 18 5.043 -2.840 4.880 1.00 42.34 C ATOM 245 CG1 ILE A 18 5.289 -3.393 3.467 1.00 44.12 C ATOM 246 CG2 ILE A 18 3.901 -1.814 4.894 1.00 75.20 C ATOM 247 CD1 ILE A 18 4.066 -4.004 2.785 1.00 53.33 C ATOM 0 H ILE A 18 6.671 -4.259 6.118 1.00 34.32 H new ATOM 0 HA ILE A 18 6.836 -1.734 4.640 1.00 32.04 H new ATOM 0 HB ILE A 18 4.699 -3.632 5.545 1.00 42.34 H new ATOM 0 HG12 ILE A 18 5.670 -2.587 2.840 1.00 44.12 H new ATOM 0 HG13 ILE A 18 6.071 -4.151 3.522 1.00 44.12 H new ATOM 0 HG21 ILE A 18 3.000 -2.267 4.481 1.00 75.20 H new ATOM 0 HG22 ILE A 18 3.710 -1.496 5.919 1.00 75.20 H new ATOM 0 HG23 ILE A 18 4.181 -0.950 4.292 1.00 75.20 H new ATOM 0 HD11 ILE A 18 4.344 -4.365 1.795 1.00 53.33 H new ATOM 0 HD12 ILE A 18 3.694 -4.836 3.383 1.00 53.33 H new ATOM 0 HD13 ILE A 18 3.287 -3.248 2.690 1.00 53.33 H new ATOM 258 N ARG A 19 5.938 -1.900 7.819 1.00 55.30 N ATOM 259 CA ARG A 19 5.629 -1.075 8.995 1.00 11.45 C ATOM 260 C ARG A 19 6.764 -0.085 9.278 1.00 23.12 C ATOM 261 O ARG A 19 6.492 1.104 9.470 1.00 54.41 O ATOM 262 CB ARG A 19 5.271 -1.963 10.201 1.00 13.21 C ATOM 263 CG ARG A 19 3.895 -2.622 10.036 1.00 43.21 C ATOM 264 CD ARG A 19 3.753 -3.893 10.880 1.00 3.32 C ATOM 265 NE ARG A 19 3.397 -3.620 12.281 1.00 73.11 N ATOM 266 CZ ARG A 19 4.208 -3.511 13.340 1.00 61.44 C ATOM 267 NH1 ARG A 19 5.508 -3.754 13.265 1.00 73.13 N ATOM 268 NH2 ARG A 19 3.701 -3.159 14.513 1.00 31.34 N ATOM 0 H ARG A 19 5.902 -2.904 7.996 1.00 55.30 H new ATOM 0 HA ARG A 19 4.746 -0.470 8.789 1.00 11.45 H new ATOM 0 HB2 ARG A 19 6.031 -2.735 10.322 1.00 13.21 H new ATOM 0 HB3 ARG A 19 5.279 -1.362 11.110 1.00 13.21 H new ATOM 0 HG2 ARG A 19 3.118 -1.912 10.320 1.00 43.21 H new ATOM 0 HG3 ARG A 19 3.735 -2.866 8.986 1.00 43.21 H new ATOM 0 HD2 ARG A 19 2.991 -4.533 10.436 1.00 3.32 H new ATOM 0 HD3 ARG A 19 4.691 -4.447 10.851 1.00 3.32 H new ATOM 0 HE ARG A 19 2.402 -3.498 12.470 1.00 73.11 H new ATOM 0 HH11 ARG A 19 5.924 -4.035 12.377 1.00 73.13 H new ATOM 0 HH12 ARG A 19 6.093 -3.660 14.095 1.00 73.13 H new ATOM 0 HH21 ARG A 19 2.702 -2.974 14.602 1.00 31.34 H new ATOM 0 HH22 ARG A 19 4.310 -3.073 15.327 1.00 31.34 H new ATOM 279 N GLY A 20 8.017 -0.540 9.183 1.00 74.40 N ATOM 280 CA GLY A 20 9.187 0.311 9.353 1.00 64.10 C ATOM 281 C GLY A 20 9.405 1.270 8.182 1.00 33.13 C ATOM 282 O GLY A 20 9.780 2.421 8.406 1.00 53.44 O ATOM 0 H GLY A 20 8.244 -1.515 8.985 1.00 74.40 H new ATOM 0 HA2 GLY A 20 9.080 0.887 10.272 1.00 64.10 H new ATOM 0 HA3 GLY A 20 10.071 -0.316 9.471 1.00 64.10 H new ATOM 286 N GLN A 21 9.115 0.857 6.942 1.00 54.44 N ATOM 287 CA GLN A 21 9.261 1.706 5.766 1.00 23.12 C ATOM 288 C GLN A 21 8.315 2.895 5.892 1.00 43.44 C ATOM 289 O GLN A 21 8.708 4.030 5.627 1.00 43.51 O ATOM 290 CB GLN A 21 8.996 0.894 4.484 1.00 54.33 C ATOM 291 CG GLN A 21 10.263 0.343 3.806 1.00 41.42 C ATOM 292 CD GLN A 21 10.557 0.992 2.454 1.00 31.11 C ATOM 293 OE1 GLN A 21 10.087 0.542 1.417 1.00 72.23 O ATOM 294 NE2 GLN A 21 11.320 2.069 2.407 1.00 51.42 N ATOM 0 H GLN A 21 8.772 -0.080 6.731 1.00 54.44 H new ATOM 0 HA GLN A 21 10.282 2.083 5.701 1.00 23.12 H new ATOM 0 HB2 GLN A 21 8.337 0.060 4.726 1.00 54.33 H new ATOM 0 HB3 GLN A 21 8.463 1.525 3.773 1.00 54.33 H new ATOM 0 HG2 GLN A 21 11.116 0.495 4.467 1.00 41.42 H new ATOM 0 HG3 GLN A 21 10.154 -0.733 3.669 1.00 41.42 H new ATOM 0 HE21 GLN A 21 11.716 2.451 3.266 1.00 51.42 H new ATOM 0 HE22 GLN A 21 11.513 2.519 1.512 1.00 51.42 H new ATOM 301 N LEU A 22 7.082 2.661 6.348 1.00 24.24 N ATOM 302 CA LEU A 22 6.119 3.727 6.581 1.00 23.35 C ATOM 303 C LEU A 22 6.694 4.693 7.612 1.00 44.32 C ATOM 304 O LEU A 22 6.638 5.908 7.415 1.00 74.23 O ATOM 305 CB LEU A 22 4.744 3.171 7.008 1.00 44.51 C ATOM 306 CG LEU A 22 4.163 2.187 5.978 1.00 75.21 C ATOM 307 CD1 LEU A 22 3.378 1.079 6.681 1.00 74.11 C ATOM 308 CD2 LEU A 22 3.315 2.952 4.971 1.00 21.15 C ATOM 0 H LEU A 22 6.729 1.729 6.564 1.00 24.24 H new ATOM 0 HA LEU A 22 5.945 4.267 5.650 1.00 23.35 H new ATOM 0 HB2 LEU A 22 4.841 2.669 7.971 1.00 44.51 H new ATOM 0 HB3 LEU A 22 4.048 3.998 7.148 1.00 44.51 H new ATOM 0 HG LEU A 22 4.971 1.700 5.432 1.00 75.21 H new ATOM 0 HD11 LEU A 22 2.974 0.392 5.938 1.00 74.11 H new ATOM 0 HD12 LEU A 22 4.040 0.536 7.356 1.00 74.11 H new ATOM 0 HD13 LEU A 22 2.560 1.519 7.252 1.00 74.11 H new ATOM 0 HD21 LEU A 22 2.902 2.257 4.240 1.00 21.15 H new ATOM 0 HD22 LEU A 22 2.501 3.458 5.490 1.00 21.15 H new ATOM 0 HD23 LEU A 22 3.934 3.690 4.460 1.00 21.15 H new ATOM 319 N GLN A 23 7.287 4.174 8.689 1.00 72.34 N ATOM 320 CA GLN A 23 7.808 5.002 9.759 1.00 12.32 C ATOM 321 C GLN A 23 9.080 5.774 9.394 1.00 62.31 C ATOM 322 O GLN A 23 9.280 6.851 9.960 1.00 24.34 O ATOM 323 CB GLN A 23 8.029 4.176 11.029 1.00 52.24 C ATOM 324 CG GLN A 23 7.322 4.884 12.195 1.00 51.32 C ATOM 325 CD GLN A 23 7.844 4.508 13.574 1.00 43.43 C ATOM 326 OE1 GLN A 23 8.507 3.498 13.780 1.00 20.05 O ATOM 327 NE2 GLN A 23 7.534 5.329 14.559 1.00 44.41 N ATOM 0 H GLN A 23 7.415 3.173 8.836 1.00 72.34 H new ATOM 0 HA GLN A 23 7.043 5.757 9.942 1.00 12.32 H new ATOM 0 HB2 GLN A 23 7.633 3.169 10.900 1.00 52.24 H new ATOM 0 HB3 GLN A 23 9.094 4.076 11.236 1.00 52.24 H new ATOM 0 HG2 GLN A 23 7.423 5.961 12.064 1.00 51.32 H new ATOM 0 HG3 GLN A 23 6.257 4.656 12.149 1.00 51.32 H new ATOM 0 HE21 GLN A 23 6.981 6.165 14.371 1.00 44.41 H new ATOM 0 HE22 GLN A 23 7.847 5.127 15.509 1.00 44.41 H new ATOM 334 N SER A 24 9.880 5.323 8.421 1.00 54.41 N ATOM 335 CA SER A 24 10.952 6.129 7.838 1.00 44.42 C ATOM 336 C SER A 24 10.390 7.480 7.366 1.00 34.42 C ATOM 337 O SER A 24 10.976 8.531 7.626 1.00 55.50 O ATOM 338 CB SER A 24 11.612 5.356 6.684 1.00 73.43 C ATOM 339 OG SER A 24 12.885 4.858 7.040 1.00 32.34 O ATOM 0 H SER A 24 9.800 4.389 8.018 1.00 54.41 H new ATOM 0 HA SER A 24 11.716 6.329 8.590 1.00 44.42 H new ATOM 0 HB2 SER A 24 10.969 4.528 6.388 1.00 73.43 H new ATOM 0 HB3 SER A 24 11.708 6.010 5.818 1.00 73.43 H new ATOM 0 HG SER A 24 13.270 4.372 6.281 1.00 32.34 H new ATOM 344 N HIS A 25 9.198 7.479 6.758 1.00 41.10 N ATOM 345 CA HIS A 25 8.530 8.706 6.318 1.00 34.03 C ATOM 346 C HIS A 25 7.638 9.311 7.412 1.00 33.13 C ATOM 347 O HIS A 25 7.137 10.424 7.239 1.00 15.22 O ATOM 348 CB HIS A 25 7.695 8.399 5.074 1.00 1.33 C ATOM 349 CG HIS A 25 8.470 7.742 3.978 1.00 63.01 C ATOM 350 ND1 HIS A 25 9.399 8.317 3.142 1.00 13.55 N ATOM 351 CD2 HIS A 25 8.399 6.418 3.675 1.00 21.42 C ATOM 352 CE1 HIS A 25 9.869 7.350 2.341 1.00 51.33 C ATOM 353 NE2 HIS A 25 9.274 6.182 2.620 1.00 21.34 N ATOM 0 H HIS A 25 8.671 6.629 6.558 1.00 41.10 H new ATOM 0 HA HIS A 25 9.299 9.444 6.090 1.00 34.03 H new ATOM 0 HB2 HIS A 25 6.863 7.754 5.356 1.00 1.33 H new ATOM 0 HB3 HIS A 25 7.265 9.327 4.697 1.00 1.33 H new ATOM 0 HD2 HIS A 25 7.777 5.684 4.165 1.00 21.42 H new ATOM 0 HE1 HIS A 25 10.621 7.492 1.579 1.00 51.33 H new ATOM 0 HE2 HIS A 25 9.432 5.291 2.149 1.00 21.34 H new ATOM 360 N GLY A 26 7.419 8.592 8.515 1.00 11.21 N ATOM 361 CA GLY A 26 6.610 8.992 9.657 1.00 0.14 C ATOM 362 C GLY A 26 5.170 8.476 9.602 1.00 51.30 C ATOM 363 O GLY A 26 4.416 8.726 10.543 1.00 34.45 O ATOM 0 H GLY A 26 7.826 7.665 8.637 1.00 11.21 H new ATOM 0 HA2 GLY A 26 7.082 8.629 10.570 1.00 0.14 H new ATOM 0 HA3 GLY A 26 6.595 10.080 9.717 1.00 0.14 H new ATOM 367 N VAL A 27 4.761 7.772 8.539 1.00 60.32 N ATOM 368 CA VAL A 27 3.349 7.500 8.278 1.00 60.02 C ATOM 369 C VAL A 27 2.786 6.506 9.301 1.00 52.24 C ATOM 370 O VAL A 27 3.421 5.503 9.652 1.00 3.32 O ATOM 371 CB VAL A 27 3.096 6.993 6.840 1.00 13.45 C ATOM 372 CG1 VAL A 27 1.656 7.326 6.434 1.00 52.35 C ATOM 373 CG2 VAL A 27 4.060 7.538 5.782 1.00 63.33 C ATOM 0 H VAL A 27 5.396 7.380 7.844 1.00 60.32 H new ATOM 0 HA VAL A 27 2.825 8.451 8.380 1.00 60.02 H new ATOM 0 HB VAL A 27 3.271 5.918 6.870 1.00 13.45 H new ATOM 0 HG11 VAL A 27 1.472 6.970 5.420 1.00 52.35 H new ATOM 0 HG12 VAL A 27 0.963 6.840 7.120 1.00 52.35 H new ATOM 0 HG13 VAL A 27 1.507 8.405 6.472 1.00 52.35 H new ATOM 0 HG21 VAL A 27 3.802 7.125 4.807 1.00 63.33 H new ATOM 0 HG22 VAL A 27 3.985 8.625 5.747 1.00 63.33 H new ATOM 0 HG23 VAL A 27 5.080 7.253 6.038 1.00 63.33 H new ATOM 383 N GLN A 28 1.551 6.776 9.729 1.00 63.32 N ATOM 384 CA GLN A 28 0.851 6.038 10.771 1.00 40.13 C ATOM 385 C GLN A 28 0.472 4.600 10.384 1.00 4.41 C ATOM 386 O GLN A 28 0.433 3.746 11.265 1.00 63.31 O ATOM 387 CB GLN A 28 -0.381 6.856 11.197 1.00 32.44 C ATOM 388 CG GLN A 28 -1.447 7.098 10.111 1.00 35.23 C ATOM 389 CD GLN A 28 -2.364 8.252 10.527 1.00 0.14 C ATOM 390 OE1 GLN A 28 -3.199 8.108 11.414 1.00 32.31 O ATOM 391 NE2 GLN A 28 -2.214 9.423 9.934 1.00 21.23 N ATOM 0 H GLN A 28 0.996 7.541 9.344 1.00 63.32 H new ATOM 0 HA GLN A 28 1.538 5.914 11.608 1.00 40.13 H new ATOM 0 HB2 GLN A 28 -0.856 6.348 12.036 1.00 32.44 H new ATOM 0 HB3 GLN A 28 -0.039 7.824 11.563 1.00 32.44 H new ATOM 0 HG2 GLN A 28 -0.965 7.330 9.161 1.00 35.23 H new ATOM 0 HG3 GLN A 28 -2.034 6.193 9.958 1.00 35.23 H new ATOM 0 HE21 GLN A 28 -1.518 9.536 9.197 1.00 21.23 H new ATOM 0 HE22 GLN A 28 -2.794 10.214 10.213 1.00 21.23 H new ATOM 398 N ALA A 29 0.186 4.344 9.099 1.00 73.23 N ATOM 399 CA ALA A 29 -0.304 3.088 8.531 1.00 75.42 C ATOM 400 C ALA A 29 -1.410 2.418 9.356 1.00 60.41 C ATOM 401 O ALA A 29 -1.119 1.576 10.209 1.00 20.24 O ATOM 402 CB ALA A 29 0.811 2.131 8.222 1.00 0.13 C ATOM 0 H ALA A 29 0.300 5.061 8.383 1.00 73.23 H new ATOM 0 HA ALA A 29 -0.771 3.370 7.587 1.00 75.42 H new ATOM 0 HB1 ALA A 29 0.398 1.214 7.803 1.00 0.13 H new ATOM 0 HB2 ALA A 29 1.491 2.585 7.501 1.00 0.13 H new ATOM 0 HB3 ALA A 29 1.355 1.898 9.137 1.00 0.13 H new ATOM 408 N ARG A 30 -2.668 2.793 9.120 1.00 44.15 N ATOM 409 CA ARG A 30 -3.769 2.375 9.986 1.00 2.32 C ATOM 410 C ARG A 30 -4.007 0.877 9.913 1.00 13.31 C ATOM 411 O ARG A 30 -4.258 0.253 10.941 1.00 13.21 O ATOM 412 CB ARG A 30 -5.031 3.181 9.657 1.00 51.34 C ATOM 413 CG ARG A 30 -6.275 2.717 10.444 1.00 53.45 C ATOM 414 CD ARG A 30 -7.213 1.884 9.556 1.00 22.52 C ATOM 415 NE ARG A 30 -7.859 0.772 10.271 1.00 53.04 N ATOM 416 CZ ARG A 30 -8.989 0.157 9.898 1.00 1.34 C ATOM 417 NH1 ARG A 30 -9.692 0.610 8.862 1.00 21.22 N ATOM 418 NH2 ARG A 30 -9.392 -0.911 10.569 1.00 41.13 N ATOM 0 H ARG A 30 -2.949 3.384 8.338 1.00 44.15 H new ATOM 0 HA ARG A 30 -3.495 2.586 11.020 1.00 2.32 H new ATOM 0 HB2 ARG A 30 -4.847 4.234 9.870 1.00 51.34 H new ATOM 0 HB3 ARG A 30 -5.235 3.103 8.589 1.00 51.34 H new ATOM 0 HG2 ARG A 30 -5.964 2.126 11.305 1.00 53.45 H new ATOM 0 HG3 ARG A 30 -6.810 3.585 10.829 1.00 53.45 H new ATOM 0 HD2 ARG A 30 -7.982 2.535 9.141 1.00 22.52 H new ATOM 0 HD3 ARG A 30 -6.646 1.485 8.715 1.00 22.52 H new ATOM 0 HE ARG A 30 -7.408 0.441 11.124 1.00 53.04 H new ATOM 0 HH11 ARG A 30 -9.371 1.430 8.347 1.00 21.22 H new ATOM 0 HH12 ARG A 30 -10.552 0.137 8.583 1.00 21.22 H new ATOM 0 HH21 ARG A 30 -8.844 -1.254 11.358 1.00 41.13 H new ATOM 0 HH22 ARG A 30 -10.250 -1.390 10.297 1.00 41.13 H new ATOM 429 N GLU A 31 -3.945 0.308 8.718 1.00 21.33 N ATOM 430 CA GLU A 31 -4.141 -1.118 8.509 1.00 13.24 C ATOM 431 C GLU A 31 -3.190 -1.548 7.397 1.00 12.30 C ATOM 432 O GLU A 31 -2.773 -0.708 6.592 1.00 3.20 O ATOM 433 CB GLU A 31 -5.609 -1.413 8.148 1.00 63.35 C ATOM 434 CG GLU A 31 -6.058 -2.822 8.568 1.00 15.04 C ATOM 435 CD GLU A 31 -6.883 -2.875 9.866 1.00 35.31 C ATOM 436 OE1 GLU A 31 -6.717 -2.037 10.784 1.00 32.24 O ATOM 437 OE2 GLU A 31 -7.728 -3.792 9.982 1.00 14.32 O ATOM 0 H GLU A 31 -3.756 0.827 7.861 1.00 21.33 H new ATOM 0 HA GLU A 31 -3.925 -1.680 9.418 1.00 13.24 H new ATOM 0 HB2 GLU A 31 -6.251 -0.675 8.628 1.00 63.35 H new ATOM 0 HB3 GLU A 31 -5.743 -1.300 7.072 1.00 63.35 H new ATOM 0 HG2 GLU A 31 -6.648 -3.256 7.761 1.00 15.04 H new ATOM 0 HG3 GLU A 31 -5.175 -3.449 8.689 1.00 15.04 H new ATOM 442 N VAL A 32 -2.851 -2.834 7.325 1.00 43.25 N ATOM 443 CA VAL A 32 -2.009 -3.384 6.278 1.00 53.15 C ATOM 444 C VAL A 32 -2.533 -4.781 5.937 1.00 40.25 C ATOM 445 O VAL A 32 -3.162 -5.451 6.767 1.00 35.10 O ATOM 446 CB VAL A 32 -0.521 -3.396 6.712 1.00 74.22 C ATOM 447 CG1 VAL A 32 0.023 -2.043 7.195 1.00 53.41 C ATOM 448 CG2 VAL A 32 -0.223 -4.418 7.814 1.00 35.13 C ATOM 0 H VAL A 32 -3.161 -3.529 8.005 1.00 43.25 H new ATOM 0 HA VAL A 32 -2.052 -2.762 5.384 1.00 53.15 H new ATOM 0 HB VAL A 32 -0.015 -3.668 5.786 1.00 74.22 H new ATOM 0 HG11 VAL A 32 1.070 -2.152 7.477 1.00 53.41 H new ATOM 0 HG12 VAL A 32 -0.063 -1.309 6.394 1.00 53.41 H new ATOM 0 HG13 VAL A 32 -0.552 -1.707 8.058 1.00 53.41 H new ATOM 0 HG21 VAL A 32 0.835 -4.376 8.072 1.00 35.13 H new ATOM 0 HG22 VAL A 32 -0.821 -4.187 8.695 1.00 35.13 H new ATOM 0 HG23 VAL A 32 -0.471 -5.418 7.459 1.00 35.13 H new ATOM 458 N ARG A 33 -2.222 -5.270 4.738 1.00 71.12 N ATOM 459 CA ARG A 33 -2.457 -6.649 4.328 1.00 71.15 C ATOM 460 C ARG A 33 -1.213 -7.084 3.565 1.00 60.30 C ATOM 461 O ARG A 33 -1.108 -6.769 2.382 1.00 61.50 O ATOM 462 CB ARG A 33 -3.737 -6.780 3.471 1.00 62.52 C ATOM 463 CG ARG A 33 -5.006 -6.109 4.033 1.00 13.32 C ATOM 464 CD ARG A 33 -6.307 -6.754 3.534 1.00 33.14 C ATOM 465 NE ARG A 33 -6.443 -8.162 3.968 1.00 15.13 N ATOM 466 CZ ARG A 33 -6.882 -9.184 3.218 1.00 74.32 C ATOM 467 NH1 ARG A 33 -7.306 -8.972 1.975 1.00 64.35 N ATOM 468 NH2 ARG A 33 -6.880 -10.425 3.693 1.00 14.03 N ATOM 0 H ARG A 33 -1.789 -4.703 4.009 1.00 71.12 H new ATOM 0 HA ARG A 33 -2.625 -7.292 5.192 1.00 71.15 H new ATOM 0 HB2 ARG A 33 -3.534 -6.358 2.486 1.00 62.52 H new ATOM 0 HB3 ARG A 33 -3.946 -7.840 3.327 1.00 62.52 H new ATOM 0 HG2 ARG A 33 -4.981 -6.154 5.122 1.00 13.32 H new ATOM 0 HG3 ARG A 33 -5.003 -5.054 3.758 1.00 13.32 H new ATOM 0 HD2 ARG A 33 -7.158 -6.180 3.901 1.00 33.14 H new ATOM 0 HD3 ARG A 33 -6.338 -6.708 2.445 1.00 33.14 H new ATOM 0 HE ARG A 33 -6.178 -8.376 4.929 1.00 15.13 H new ATOM 0 HH11 ARG A 33 -7.298 -8.029 1.588 1.00 64.35 H new ATOM 0 HH12 ARG A 33 -7.639 -9.753 1.409 1.00 64.35 H new ATOM 0 HH21 ARG A 33 -6.542 -10.609 4.638 1.00 14.03 H new ATOM 0 HH22 ARG A 33 -7.216 -11.194 3.113 1.00 14.03 H new ATOM 479 N LEU A 34 -0.241 -7.709 4.229 1.00 73.21 N ATOM 480 CA LEU A 34 0.975 -8.249 3.645 1.00 20.42 C ATOM 481 C LEU A 34 1.250 -9.580 4.351 1.00 23.41 C ATOM 482 O LEU A 34 0.331 -10.242 4.829 1.00 32.34 O ATOM 483 CB LEU A 34 2.151 -7.281 3.823 1.00 53.03 C ATOM 484 CG LEU A 34 3.278 -7.454 2.771 1.00 53.31 C ATOM 485 CD1 LEU A 34 4.639 -7.569 3.449 1.00 2.33 C ATOM 486 CD2 LEU A 34 3.201 -8.579 1.714 1.00 40.41 C ATOM 0 H LEU A 34 -0.288 -7.857 5.237 1.00 73.21 H new ATOM 0 HA LEU A 34 0.855 -8.396 2.572 1.00 20.42 H new ATOM 0 HB2 LEU A 34 1.777 -6.258 3.774 1.00 53.03 H new ATOM 0 HB3 LEU A 34 2.573 -7.418 4.818 1.00 53.03 H new ATOM 0 HG LEU A 34 3.125 -6.543 2.193 1.00 53.31 H new ATOM 0 HD11 LEU A 34 5.414 -7.690 2.692 1.00 2.33 H new ATOM 0 HD12 LEU A 34 4.835 -6.666 4.028 1.00 2.33 H new ATOM 0 HD13 LEU A 34 4.643 -8.434 4.113 1.00 2.33 H new ATOM 0 HD21 LEU A 34 4.080 -8.535 1.071 1.00 40.41 H new ATOM 0 HD22 LEU A 34 3.166 -9.547 2.214 1.00 40.41 H new ATOM 0 HD23 LEU A 34 2.303 -8.450 1.110 1.00 40.41 H new ATOM 616 N ARG A 44 -0.235 -12.445 -1.927 1.00 15.31 N ATOM 617 CA ARG A 44 -0.501 -12.716 -3.348 1.00 4.34 C ATOM 618 C ARG A 44 0.581 -12.127 -4.269 1.00 31.51 C ATOM 619 O ARG A 44 0.365 -12.023 -5.477 1.00 22.21 O ATOM 620 CB ARG A 44 -1.913 -12.205 -3.713 1.00 13.14 C ATOM 621 CG ARG A 44 -3.067 -13.003 -3.077 1.00 21.15 C ATOM 622 CD ARG A 44 -4.434 -12.593 -3.647 1.00 55.41 C ATOM 623 NE ARG A 44 -5.516 -13.462 -3.145 1.00 24.24 N ATOM 624 CZ ARG A 44 -6.617 -13.837 -3.815 1.00 33.40 C ATOM 625 NH1 ARG A 44 -6.957 -13.290 -4.977 1.00 35.14 N ATOM 626 NH2 ARG A 44 -7.402 -14.772 -3.306 1.00 15.00 N ATOM 0 HA ARG A 44 -0.466 -13.794 -3.505 1.00 4.34 H new ATOM 0 HB2 ARG A 44 -1.998 -11.162 -3.408 1.00 13.14 H new ATOM 0 HB3 ARG A 44 -2.025 -12.230 -4.797 1.00 13.14 H new ATOM 0 HG2 ARG A 44 -2.908 -14.068 -3.247 1.00 21.15 H new ATOM 0 HG3 ARG A 44 -3.063 -12.848 -1.998 1.00 21.15 H new ATOM 0 HD2 ARG A 44 -4.645 -11.558 -3.379 1.00 55.41 H new ATOM 0 HD3 ARG A 44 -4.404 -12.641 -4.736 1.00 55.41 H new ATOM 0 HE ARG A 44 -5.417 -13.813 -2.192 1.00 24.24 H new ATOM 0 HH11 ARG A 44 -6.374 -12.561 -5.387 1.00 35.14 H new ATOM 0 HH12 ARG A 44 -7.801 -13.600 -5.459 1.00 35.14 H new ATOM 0 HH21 ARG A 44 -7.169 -15.202 -2.411 1.00 15.00 H new ATOM 0 HH22 ARG A 44 -8.241 -15.063 -3.808 1.00 15.00 H new ATOM 637 N GLY A 45 1.740 -11.734 -3.736 1.00 4.22 N ATOM 638 CA GLY A 45 2.798 -11.045 -4.474 1.00 54.04 C ATOM 639 C GLY A 45 2.562 -9.543 -4.580 1.00 21.14 C ATOM 640 O GLY A 45 3.300 -8.841 -5.270 1.00 2.45 O ATOM 0 H GLY A 45 1.973 -11.890 -2.755 1.00 4.22 H new ATOM 0 HA2 GLY A 45 3.754 -11.224 -3.982 1.00 54.04 H new ATOM 0 HA3 GLY A 45 2.871 -11.468 -5.476 1.00 54.04 H new ATOM 644 N PHE A 46 1.556 -9.057 -3.860 1.00 63.23 N ATOM 645 CA PHE A 46 1.250 -7.671 -3.608 1.00 4.22 C ATOM 646 C PHE A 46 0.664 -7.580 -2.200 1.00 21.21 C ATOM 647 O PHE A 46 0.300 -8.606 -1.616 1.00 24.51 O ATOM 648 CB PHE A 46 0.279 -7.140 -4.680 1.00 31.15 C ATOM 649 CG PHE A 46 -0.776 -8.103 -5.186 1.00 4.24 C ATOM 650 CD1 PHE A 46 -1.900 -8.413 -4.404 1.00 34.34 C ATOM 651 CD2 PHE A 46 -0.641 -8.667 -6.465 1.00 13.14 C ATOM 652 CE1 PHE A 46 -2.903 -9.259 -4.907 1.00 44.34 C ATOM 653 CE2 PHE A 46 -1.623 -9.542 -6.953 1.00 60.11 C ATOM 654 CZ PHE A 46 -2.756 -9.836 -6.180 1.00 23.35 C ATOM 0 H PHE A 46 0.887 -9.679 -3.406 1.00 63.23 H new ATOM 0 HA PHE A 46 2.144 -7.050 -3.665 1.00 4.22 H new ATOM 0 HB2 PHE A 46 -0.228 -6.264 -4.275 1.00 31.15 H new ATOM 0 HB3 PHE A 46 0.867 -6.802 -5.533 1.00 31.15 H new ATOM 0 HD1 PHE A 46 -1.994 -7.999 -3.411 1.00 34.34 H new ATOM 0 HD2 PHE A 46 0.219 -8.427 -7.073 1.00 13.14 H new ATOM 0 HE1 PHE A 46 -3.784 -9.465 -4.317 1.00 44.34 H new ATOM 0 HE2 PHE A 46 -1.506 -9.991 -7.928 1.00 60.11 H new ATOM 0 HZ PHE A 46 -3.514 -10.504 -6.562 1.00 23.35 H new ATOM 663 N ALA A 47 0.592 -6.357 -1.678 1.00 51.22 N ATOM 664 CA ALA A 47 0.073 -5.990 -0.372 1.00 0.11 C ATOM 665 C ALA A 47 -0.921 -4.841 -0.514 1.00 74.34 C ATOM 666 O ALA A 47 -1.011 -4.231 -1.588 1.00 0.03 O ATOM 667 CB ALA A 47 1.239 -5.527 0.504 1.00 21.25 C ATOM 0 H ALA A 47 0.919 -5.543 -2.198 1.00 51.22 H new ATOM 0 HA ALA A 47 -0.427 -6.848 0.077 1.00 0.11 H new ATOM 0 HB1 ALA A 47 0.865 -5.248 1.489 1.00 21.25 H new ATOM 0 HB2 ALA A 47 1.961 -6.337 0.606 1.00 21.25 H new ATOM 0 HB3 ALA A 47 1.722 -4.666 0.042 1.00 21.25 H new ATOM 673 N PHE A 48 -1.608 -4.500 0.572 1.00 62.31 N ATOM 674 CA PHE A 48 -2.294 -3.229 0.749 1.00 34.20 C ATOM 675 C PHE A 48 -1.751 -2.563 2.013 1.00 21.21 C ATOM 676 O PHE A 48 -1.303 -3.246 2.937 1.00 24.24 O ATOM 677 CB PHE A 48 -3.813 -3.436 0.872 1.00 63.32 C ATOM 678 CG PHE A 48 -4.521 -3.979 -0.356 1.00 53.25 C ATOM 679 CD1 PHE A 48 -4.596 -3.204 -1.530 1.00 31.30 C ATOM 680 CD2 PHE A 48 -5.160 -5.233 -0.313 1.00 60.45 C ATOM 681 CE1 PHE A 48 -5.301 -3.681 -2.650 1.00 13.03 C ATOM 682 CE2 PHE A 48 -5.861 -5.711 -1.435 1.00 15.01 C ATOM 683 CZ PHE A 48 -5.930 -4.937 -2.606 1.00 15.32 C ATOM 0 H PHE A 48 -1.704 -5.121 1.376 1.00 62.31 H new ATOM 0 HA PHE A 48 -2.116 -2.596 -0.120 1.00 34.20 H new ATOM 0 HB2 PHE A 48 -3.999 -4.117 1.703 1.00 63.32 H new ATOM 0 HB3 PHE A 48 -4.268 -2.481 1.134 1.00 63.32 H new ATOM 0 HD1 PHE A 48 -4.110 -2.240 -1.570 1.00 31.30 H new ATOM 0 HD2 PHE A 48 -5.112 -5.830 0.585 1.00 60.45 H new ATOM 0 HE1 PHE A 48 -5.359 -3.081 -3.546 1.00 13.03 H new ATOM 0 HE2 PHE A 48 -6.347 -6.675 -1.396 1.00 15.01 H new ATOM 0 HZ PHE A 48 -6.464 -5.306 -3.469 1.00 15.32 H new ATOM 692 N VAL A 49 -1.838 -1.238 2.066 1.00 0.33 N ATOM 693 CA VAL A 49 -1.647 -0.408 3.246 1.00 32.11 C ATOM 694 C VAL A 49 -2.782 0.615 3.184 1.00 62.14 C ATOM 695 O VAL A 49 -2.980 1.220 2.122 1.00 12.43 O ATOM 696 CB VAL A 49 -0.244 0.246 3.232 1.00 32.43 C ATOM 697 CG1 VAL A 49 -0.062 1.160 4.451 1.00 24.22 C ATOM 698 CG2 VAL A 49 0.880 -0.799 3.225 1.00 23.35 C ATOM 0 H VAL A 49 -2.056 -0.685 1.238 1.00 0.33 H new ATOM 0 HA VAL A 49 -1.683 -0.972 4.178 1.00 32.11 H new ATOM 0 HB VAL A 49 -0.180 0.830 2.314 1.00 32.43 H new ATOM 0 HG11 VAL A 49 0.930 1.610 4.423 1.00 24.22 H new ATOM 0 HG12 VAL A 49 -0.818 1.945 4.433 1.00 24.22 H new ATOM 0 HG13 VAL A 49 -0.169 0.574 5.364 1.00 24.22 H new ATOM 0 HG21 VAL A 49 1.846 -0.294 3.215 1.00 23.35 H new ATOM 0 HG22 VAL A 49 0.804 -1.421 4.117 1.00 23.35 H new ATOM 0 HG23 VAL A 49 0.789 -1.425 2.338 1.00 23.35 H new ATOM 708 N GLU A 50 -3.535 0.789 4.273 1.00 64.25 N ATOM 709 CA GLU A 50 -4.591 1.788 4.382 1.00 62.12 C ATOM 710 C GLU A 50 -4.138 2.968 5.239 1.00 52.21 C ATOM 711 O GLU A 50 -3.323 2.834 6.159 1.00 1.10 O ATOM 712 CB GLU A 50 -5.886 1.206 4.968 1.00 11.30 C ATOM 713 CG GLU A 50 -6.691 0.430 3.925 1.00 53.44 C ATOM 714 CD GLU A 50 -8.049 -0.057 4.432 1.00 61.23 C ATOM 715 OE1 GLU A 50 -8.913 0.824 4.665 1.00 3.13 O ATOM 716 OE2 GLU A 50 -8.266 -1.292 4.502 1.00 0.34 O ATOM 0 H GLU A 50 -3.423 0.227 5.117 1.00 64.25 H new ATOM 0 HA GLU A 50 -4.799 2.129 3.368 1.00 62.12 H new ATOM 0 HB2 GLU A 50 -5.642 0.547 5.801 1.00 11.30 H new ATOM 0 HB3 GLU A 50 -6.497 2.014 5.369 1.00 11.30 H new ATOM 0 HG2 GLU A 50 -6.846 1.065 3.053 1.00 53.44 H new ATOM 0 HG3 GLU A 50 -6.107 -0.429 3.595 1.00 53.44 H new ATOM 721 N PHE A 51 -4.731 4.136 4.976 1.00 75.52 N ATOM 722 CA PHE A 51 -4.306 5.396 5.554 1.00 40.42 C ATOM 723 C PHE A 51 -5.555 6.101 6.037 1.00 24.11 C ATOM 724 O PHE A 51 -6.371 6.498 5.214 1.00 20.34 O ATOM 725 CB PHE A 51 -3.557 6.205 4.491 1.00 12.23 C ATOM 726 CG PHE A 51 -2.318 5.502 3.984 1.00 4.23 C ATOM 727 CD1 PHE A 51 -1.095 5.640 4.669 1.00 60.53 C ATOM 728 CD2 PHE A 51 -2.403 4.656 2.862 1.00 41.41 C ATOM 729 CE1 PHE A 51 0.054 4.989 4.188 1.00 75.32 C ATOM 730 CE2 PHE A 51 -1.260 3.984 2.409 1.00 60.42 C ATOM 731 CZ PHE A 51 -0.026 4.179 3.048 1.00 42.01 C ATOM 0 H PHE A 51 -5.529 4.225 4.347 1.00 75.52 H new ATOM 0 HA PHE A 51 -3.623 5.260 6.393 1.00 40.42 H new ATOM 0 HB2 PHE A 51 -4.226 6.402 3.653 1.00 12.23 H new ATOM 0 HB3 PHE A 51 -3.275 7.172 4.908 1.00 12.23 H new ATOM 0 HD1 PHE A 51 -1.040 6.245 5.562 1.00 60.53 H new ATOM 0 HD2 PHE A 51 -3.346 4.525 2.352 1.00 41.41 H new ATOM 0 HE1 PHE A 51 0.998 5.113 4.697 1.00 75.32 H new ATOM 0 HE2 PHE A 51 -1.329 3.314 1.565 1.00 60.42 H new ATOM 0 HZ PHE A 51 0.863 3.704 2.660 1.00 42.01 H new ATOM 740 N SER A 52 -5.757 6.183 7.353 1.00 72.51 N ATOM 741 CA SER A 52 -6.998 6.715 7.908 1.00 41.05 C ATOM 742 C SER A 52 -7.240 8.165 7.457 1.00 42.12 C ATOM 743 O SER A 52 -8.393 8.550 7.250 1.00 32.13 O ATOM 744 CB SER A 52 -6.968 6.569 9.435 1.00 0.31 C ATOM 745 OG SER A 52 -8.255 6.735 9.988 1.00 23.22 O ATOM 0 H SER A 52 -5.076 5.887 8.052 1.00 72.51 H new ATOM 0 HA SER A 52 -7.843 6.142 7.526 1.00 41.05 H new ATOM 0 HB2 SER A 52 -6.579 5.586 9.702 1.00 0.31 H new ATOM 0 HB3 SER A 52 -6.288 7.307 9.860 1.00 0.31 H new ATOM 0 HG SER A 52 -8.208 6.636 10.962 1.00 23.22 H new ATOM 750 N HIS A 53 -6.169 8.943 7.248 1.00 52.21 N ATOM 751 CA HIS A 53 -6.219 10.273 6.656 1.00 0.40 C ATOM 752 C HIS A 53 -5.946 10.141 5.162 1.00 73.24 C ATOM 753 O HIS A 53 -4.995 9.469 4.758 1.00 63.35 O ATOM 754 CB HIS A 53 -5.174 11.205 7.288 1.00 4.03 C ATOM 755 CG HIS A 53 -5.465 11.547 8.728 1.00 63.14 C ATOM 756 ND1 HIS A 53 -5.898 12.772 9.189 1.00 0.23 N ATOM 757 CD2 HIS A 53 -5.447 10.683 9.790 1.00 41.12 C ATOM 758 CE1 HIS A 53 -6.167 12.645 10.498 1.00 33.21 C ATOM 759 NE2 HIS A 53 -5.900 11.392 10.906 1.00 33.10 N ATOM 0 H HIS A 53 -5.223 8.651 7.495 1.00 52.21 H new ATOM 0 HA HIS A 53 -7.203 10.706 6.835 1.00 0.40 H new ATOM 0 HB2 HIS A 53 -4.193 10.733 7.226 1.00 4.03 H new ATOM 0 HB3 HIS A 53 -5.122 12.126 6.707 1.00 4.03 H new ATOM 0 HD2 HIS A 53 -5.140 9.648 9.769 1.00 41.12 H new ATOM 0 HE1 HIS A 53 -6.543 13.435 11.131 1.00 33.21 H new ATOM 0 HE2 HIS A 53 -6.008 11.027 11.852 1.00 33.10 H new ATOM 766 N LEU A 54 -6.724 10.852 4.346 1.00 1.02 N ATOM 767 CA LEU A 54 -6.586 10.861 2.892 1.00 52.22 C ATOM 768 C LEU A 54 -5.179 11.299 2.488 1.00 15.33 C ATOM 769 O LEU A 54 -4.577 10.674 1.615 1.00 73.51 O ATOM 770 CB LEU A 54 -7.635 11.799 2.272 1.00 54.41 C ATOM 771 CG LEU A 54 -9.031 11.148 2.158 1.00 15.44 C ATOM 772 CD1 LEU A 54 -10.127 12.095 2.658 1.00 34.10 C ATOM 773 CD2 LEU A 54 -9.350 10.738 0.716 1.00 22.34 C ATOM 0 H LEU A 54 -7.480 11.447 4.684 1.00 1.02 H new ATOM 0 HA LEU A 54 -6.750 9.850 2.520 1.00 52.22 H new ATOM 0 HB2 LEU A 54 -7.709 12.703 2.877 1.00 54.41 H new ATOM 0 HB3 LEU A 54 -7.300 12.105 1.281 1.00 54.41 H new ATOM 0 HG LEU A 54 -9.008 10.255 2.783 1.00 15.44 H new ATOM 0 HD11 LEU A 54 -11.098 11.609 2.565 1.00 34.10 H new ATOM 0 HD12 LEU A 54 -9.944 12.344 3.703 1.00 34.10 H new ATOM 0 HD13 LEU A 54 -10.120 13.007 2.062 1.00 34.10 H new ATOM 0 HD21 LEU A 54 -10.340 10.284 0.677 1.00 22.34 H new ATOM 0 HD22 LEU A 54 -9.329 11.619 0.074 1.00 22.34 H new ATOM 0 HD23 LEU A 54 -8.608 10.019 0.369 1.00 22.34 H new ATOM 784 N GLN A 55 -4.660 12.355 3.121 1.00 43.33 N ATOM 785 CA GLN A 55 -3.348 12.910 2.804 1.00 71.25 C ATOM 786 C GLN A 55 -2.245 11.849 2.869 1.00 61.33 C ATOM 787 O GLN A 55 -1.374 11.815 2.005 1.00 42.15 O ATOM 788 CB GLN A 55 -3.020 14.100 3.723 1.00 35.44 C ATOM 789 CG GLN A 55 -3.186 13.830 5.228 1.00 32.52 C ATOM 790 CD GLN A 55 -2.198 14.649 6.049 1.00 1.40 C ATOM 791 OE1 GLN A 55 -2.455 15.800 6.405 1.00 21.11 O ATOM 792 NE2 GLN A 55 -1.058 14.073 6.373 1.00 42.25 N ATOM 0 H GLN A 55 -5.143 12.849 3.871 1.00 43.33 H new ATOM 0 HA GLN A 55 -3.389 13.270 1.776 1.00 71.25 H new ATOM 0 HB2 GLN A 55 -1.992 14.410 3.537 1.00 35.44 H new ATOM 0 HB3 GLN A 55 -3.660 14.938 3.448 1.00 35.44 H new ATOM 0 HG2 GLN A 55 -4.204 14.072 5.533 1.00 32.52 H new ATOM 0 HG3 GLN A 55 -3.037 12.769 5.428 1.00 32.52 H new ATOM 0 HE21 GLN A 55 -0.864 13.119 6.069 1.00 42.25 H new ATOM 0 HE22 GLN A 55 -0.370 14.581 6.928 1.00 42.25 H new ATOM 799 N ASP A 56 -2.288 10.960 3.862 1.00 31.34 N ATOM 800 CA ASP A 56 -1.188 10.055 4.184 1.00 14.10 C ATOM 801 C ASP A 56 -0.979 9.030 3.077 1.00 11.12 C ATOM 802 O ASP A 56 0.145 8.564 2.878 1.00 41.21 O ATOM 803 CB ASP A 56 -1.462 9.325 5.506 1.00 61.55 C ATOM 804 CG ASP A 56 -1.006 10.095 6.734 1.00 34.24 C ATOM 805 OD1 ASP A 56 -1.129 11.338 6.731 1.00 42.21 O ATOM 806 OD2 ASP A 56 -0.587 9.444 7.716 1.00 52.31 O ATOM 0 H ASP A 56 -3.098 10.848 4.472 1.00 31.34 H new ATOM 0 HA ASP A 56 -0.284 10.657 4.282 1.00 14.10 H new ATOM 0 HB2 ASP A 56 -2.531 9.128 5.588 1.00 61.55 H new ATOM 0 HB3 ASP A 56 -0.960 8.358 5.488 1.00 61.55 H new ATOM 810 N ALA A 57 -2.044 8.716 2.335 1.00 42.03 N ATOM 811 CA ALA A 57 -2.007 7.774 1.232 1.00 64.33 C ATOM 812 C ALA A 57 -1.055 8.313 0.166 1.00 71.13 C ATOM 813 O ALA A 57 -0.153 7.629 -0.315 1.00 1.30 O ATOM 814 CB ALA A 57 -3.431 7.580 0.685 1.00 4.33 C ATOM 0 H ALA A 57 -2.967 9.120 2.493 1.00 42.03 H new ATOM 0 HA ALA A 57 -1.642 6.800 1.558 1.00 64.33 H new ATOM 0 HB1 ALA A 57 -3.409 6.873 -0.144 1.00 4.33 H new ATOM 0 HB2 ALA A 57 -4.075 7.193 1.475 1.00 4.33 H new ATOM 0 HB3 ALA A 57 -3.820 8.536 0.336 1.00 4.33 H new ATOM 820 N THR A 58 -1.265 9.578 -0.174 1.00 71.12 N ATOM 821 CA THR A 58 -0.525 10.328 -1.158 1.00 61.15 C ATOM 822 C THR A 58 0.874 10.637 -0.629 1.00 51.14 C ATOM 823 O THR A 58 1.857 10.520 -1.354 1.00 64.43 O ATOM 824 CB THR A 58 -1.303 11.629 -1.380 1.00 22.44 C ATOM 825 OG1 THR A 58 -2.708 11.397 -1.346 1.00 14.43 O ATOM 826 CG2 THR A 58 -0.931 12.291 -2.691 1.00 42.01 C ATOM 0 H THR A 58 -2.002 10.133 0.261 1.00 71.12 H new ATOM 0 HA THR A 58 -0.415 9.769 -2.087 1.00 61.15 H new ATOM 0 HB THR A 58 -1.031 12.301 -0.566 1.00 22.44 H new ATOM 0 HG1 THR A 58 -3.183 12.242 -1.488 1.00 14.43 H new ATOM 0 HG21 THR A 58 -1.505 13.210 -2.810 1.00 42.01 H new ATOM 0 HG22 THR A 58 0.134 12.525 -2.691 1.00 42.01 H new ATOM 0 HG23 THR A 58 -1.154 11.615 -3.516 1.00 42.01 H new ATOM 834 N ARG A 59 0.989 11.028 0.642 1.00 61.14 N ATOM 835 CA ARG A 59 2.244 11.513 1.195 1.00 2.30 C ATOM 836 C ARG A 59 3.280 10.399 1.307 1.00 74.44 C ATOM 837 O ARG A 59 4.477 10.673 1.376 1.00 15.22 O ATOM 838 CB ARG A 59 1.938 12.236 2.493 1.00 61.31 C ATOM 839 CG ARG A 59 3.143 13.049 2.973 1.00 71.54 C ATOM 840 CD ARG A 59 2.730 13.940 4.131 1.00 64.22 C ATOM 841 NE ARG A 59 1.984 15.129 3.691 1.00 61.55 N ATOM 842 CZ ARG A 59 1.560 16.109 4.497 1.00 42.42 C ATOM 843 NH1 ARG A 59 1.830 16.089 5.799 1.00 52.13 N ATOM 844 NH2 ARG A 59 0.861 17.107 3.977 1.00 14.12 N ATOM 0 H ARG A 59 0.217 11.016 1.309 1.00 61.14 H new ATOM 0 HA ARG A 59 2.715 12.231 0.524 1.00 2.30 H new ATOM 0 HB2 ARG A 59 1.083 12.897 2.351 1.00 61.31 H new ATOM 0 HB3 ARG A 59 1.657 11.512 3.258 1.00 61.31 H new ATOM 0 HG2 ARG A 59 3.945 12.380 3.284 1.00 71.54 H new ATOM 0 HG3 ARG A 59 3.534 13.656 2.156 1.00 71.54 H new ATOM 0 HD2 ARG A 59 2.116 13.366 4.825 1.00 64.22 H new ATOM 0 HD3 ARG A 59 3.619 14.255 4.678 1.00 64.22 H new ATOM 0 HE ARG A 59 1.774 15.213 2.696 1.00 61.55 H new ATOM 0 HH11 ARG A 59 2.368 15.319 6.197 1.00 52.13 H new ATOM 0 HH12 ARG A 59 1.499 16.844 6.400 1.00 52.13 H new ATOM 0 HH21 ARG A 59 0.655 17.119 2.978 1.00 14.12 H new ATOM 0 HH22 ARG A 59 0.529 17.863 4.575 1.00 14.12 H new ATOM 855 N TRP A 60 2.841 9.140 1.276 1.00 31.42 N ATOM 856 CA TRP A 60 3.748 8.019 1.083 1.00 11.11 C ATOM 857 C TRP A 60 4.164 7.890 -0.389 1.00 4.43 C ATOM 858 O TRP A 60 5.356 7.804 -0.677 1.00 75.21 O ATOM 859 CB TRP A 60 3.130 6.726 1.627 1.00 61.32 C ATOM 860 CG TRP A 60 4.123 5.628 1.892 1.00 75.02 C ATOM 861 CD1 TRP A 60 5.367 5.795 2.397 1.00 20.41 C ATOM 862 CD2 TRP A 60 3.981 4.186 1.695 1.00 1.45 C ATOM 863 NE1 TRP A 60 6.000 4.575 2.495 1.00 23.03 N ATOM 864 CE2 TRP A 60 5.177 3.541 2.123 1.00 2.32 C ATOM 865 CE3 TRP A 60 2.953 3.350 1.222 1.00 14.03 C ATOM 866 CZ2 TRP A 60 5.325 2.147 2.134 1.00 22.35 C ATOM 867 CZ3 TRP A 60 3.068 1.949 1.254 1.00 61.53 C ATOM 868 CH2 TRP A 60 4.243 1.345 1.728 1.00 44.41 C ATOM 0 H TRP A 60 1.862 8.876 1.383 1.00 31.42 H new ATOM 0 HA TRP A 60 4.659 8.208 1.651 1.00 11.11 H new ATOM 0 HB2 TRP A 60 2.600 6.952 2.553 1.00 61.32 H new ATOM 0 HB3 TRP A 60 2.388 6.365 0.915 1.00 61.32 H new ATOM 0 HD1 TRP A 60 5.799 6.743 2.681 1.00 20.41 H new ATOM 0 HE1 TRP A 60 6.964 4.455 2.806 1.00 23.03 H new ATOM 0 HE3 TRP A 60 2.053 3.795 0.824 1.00 14.03 H new ATOM 0 HZ2 TRP A 60 6.254 1.696 2.449 1.00 22.35 H new ATOM 0 HZ3 TRP A 60 2.248 1.335 0.912 1.00 61.53 H new ATOM 0 HH2 TRP A 60 4.316 0.269 1.781 1.00 44.41 H new ATOM 878 N MET A 61 3.206 7.885 -1.321 1.00 52.01 N ATOM 879 CA MET A 61 3.405 7.755 -2.761 1.00 20.23 C ATOM 880 C MET A 61 4.399 8.789 -3.296 1.00 14.41 C ATOM 881 O MET A 61 5.434 8.425 -3.862 1.00 41.33 O ATOM 882 CB MET A 61 2.033 7.906 -3.438 1.00 22.31 C ATOM 883 CG MET A 61 1.102 6.736 -3.092 1.00 42.15 C ATOM 884 SD MET A 61 1.364 5.213 -4.029 1.00 1.23 S ATOM 885 CE MET A 61 0.802 5.765 -5.651 1.00 52.22 C ATOM 0 H MET A 61 2.220 7.977 -1.074 1.00 52.01 H new ATOM 0 HA MET A 61 3.835 6.778 -2.984 1.00 20.23 H new ATOM 0 HB2 MET A 61 1.573 8.843 -3.125 1.00 22.31 H new ATOM 0 HB3 MET A 61 2.164 7.961 -4.519 1.00 22.31 H new ATOM 0 HG2 MET A 61 1.213 6.510 -2.031 1.00 42.15 H new ATOM 0 HG3 MET A 61 0.072 7.060 -3.243 1.00 42.15 H new ATOM 0 HE1 MET A 61 1.317 5.198 -6.427 1.00 52.22 H new ATOM 0 HE2 MET A 61 -0.273 5.605 -5.738 1.00 52.22 H new ATOM 0 HE3 MET A 61 1.022 6.826 -5.771 1.00 52.22 H new ATOM 893 N GLU A 62 4.095 10.072 -3.099 1.00 54.41 N ATOM 894 CA GLU A 62 4.854 11.215 -3.605 1.00 40.33 C ATOM 895 C GLU A 62 6.270 11.218 -3.015 1.00 71.44 C ATOM 896 O GLU A 62 7.213 11.701 -3.635 1.00 51.44 O ATOM 897 CB GLU A 62 4.160 12.520 -3.175 1.00 2.43 C ATOM 898 CG GLU A 62 2.709 12.728 -3.634 1.00 13.30 C ATOM 899 CD GLU A 62 2.550 13.327 -5.032 1.00 44.45 C ATOM 900 OE1 GLU A 62 2.606 12.553 -6.010 1.00 41.31 O ATOM 901 OE2 GLU A 62 2.249 14.539 -5.133 1.00 73.23 O ATOM 0 H GLU A 62 3.277 10.355 -2.559 1.00 54.41 H new ATOM 0 HA GLU A 62 4.904 11.142 -4.691 1.00 40.33 H new ATOM 0 HB2 GLU A 62 4.180 12.571 -2.086 1.00 2.43 H new ATOM 0 HB3 GLU A 62 4.754 13.356 -3.544 1.00 2.43 H new ATOM 0 HG2 GLU A 62 2.194 11.767 -3.607 1.00 13.30 H new ATOM 0 HG3 GLU A 62 2.208 13.379 -2.918 1.00 13.30 H new ATOM 906 N ALA A 63 6.436 10.685 -1.803 1.00 12.33 N ATOM 907 CA ALA A 63 7.724 10.644 -1.098 1.00 14.54 C ATOM 908 C ALA A 63 8.642 9.547 -1.608 1.00 1.23 C ATOM 909 O ALA A 63 9.840 9.547 -1.303 1.00 34.15 O ATOM 910 CB ALA A 63 7.491 10.457 0.399 1.00 24.33 C ATOM 0 H ALA A 63 5.672 10.264 -1.275 1.00 12.33 H new ATOM 0 HA ALA A 63 8.219 11.596 -1.290 1.00 14.54 H new ATOM 0 HB1 ALA A 63 8.450 10.427 0.916 1.00 24.33 H new ATOM 0 HB2 ALA A 63 6.898 11.288 0.782 1.00 24.33 H new ATOM 0 HB3 ALA A 63 6.958 9.522 0.570 1.00 24.33 H new ATOM 916 N ASN A 64 8.092 8.629 -2.390 1.00 62.00 N ATOM 917 CA ASN A 64 8.783 7.457 -2.880 1.00 61.14 C ATOM 918 C ASN A 64 8.811 7.436 -4.400 1.00 1.15 C ATOM 919 O ASN A 64 9.364 6.502 -4.973 1.00 32.15 O ATOM 920 CB ASN A 64 8.122 6.220 -2.275 1.00 41.23 C ATOM 921 CG ASN A 64 8.568 6.058 -0.837 1.00 35.35 C ATOM 922 OD1 ASN A 64 9.715 5.714 -0.567 1.00 15.55 O ATOM 923 ND2 ASN A 64 7.705 6.362 0.111 1.00 34.32 N ATOM 0 H ASN A 64 7.124 8.686 -2.707 1.00 62.00 H new ATOM 0 HA ASN A 64 9.828 7.472 -2.570 1.00 61.14 H new ATOM 0 HB2 ASN A 64 7.037 6.316 -2.321 1.00 41.23 H new ATOM 0 HB3 ASN A 64 8.389 5.334 -2.851 1.00 41.23 H new ATOM 0 HD21 ASN A 64 7.985 6.314 1.091 1.00 34.32 H new ATOM 0 HD22 ASN A 64 6.757 6.646 -0.135 1.00 34.32 H new ATOM 929 N GLN A 65 8.270 8.463 -5.069 1.00 15.35 N ATOM 930 CA GLN A 65 8.278 8.573 -6.525 1.00 74.00 C ATOM 931 C GLN A 65 7.598 7.331 -7.121 1.00 53.13 C ATOM 932 O GLN A 65 8.047 6.790 -8.134 1.00 63.42 O ATOM 933 CB GLN A 65 9.715 8.760 -7.054 1.00 64.24 C ATOM 934 CG GLN A 65 10.589 9.811 -6.343 1.00 35.44 C ATOM 935 CD GLN A 65 12.050 9.389 -6.441 1.00 53.53 C ATOM 936 OE1 GLN A 65 12.603 9.282 -7.535 1.00 11.44 O ATOM 937 NE2 GLN A 65 12.698 9.111 -5.321 1.00 31.04 N ATOM 0 H GLN A 65 7.811 9.247 -4.605 1.00 15.35 H new ATOM 0 HA GLN A 65 7.718 9.456 -6.833 1.00 74.00 H new ATOM 0 HB2 GLN A 65 10.226 7.799 -6.996 1.00 64.24 H new ATOM 0 HB3 GLN A 65 9.656 9.026 -8.109 1.00 64.24 H new ATOM 0 HG2 GLN A 65 10.448 10.790 -6.801 1.00 35.44 H new ATOM 0 HG3 GLN A 65 10.293 9.903 -5.298 1.00 35.44 H new ATOM 0 HE21 GLN A 65 12.226 9.205 -4.422 1.00 31.04 H new ATOM 0 HE22 GLN A 65 13.670 8.803 -5.357 1.00 31.04 H new ATOM 944 N HIS A 66 6.555 6.842 -6.440 1.00 12.05 N ATOM 945 CA HIS A 66 5.766 5.683 -6.836 1.00 35.23 C ATOM 946 C HIS A 66 6.577 4.366 -6.996 1.00 23.51 C ATOM 947 O HIS A 66 6.089 3.431 -7.646 1.00 23.34 O ATOM 948 CB HIS A 66 4.911 6.019 -8.076 1.00 51.21 C ATOM 949 CG HIS A 66 3.908 7.151 -7.959 1.00 2.04 C ATOM 950 ND1 HIS A 66 3.089 7.560 -8.987 1.00 73.43 N ATOM 951 CD2 HIS A 66 3.579 7.905 -6.858 1.00 53.41 C ATOM 952 CE1 HIS A 66 2.278 8.519 -8.524 1.00 23.23 C ATOM 953 NE2 HIS A 66 2.527 8.755 -7.224 1.00 43.44 N ATOM 0 H HIS A 66 6.231 7.261 -5.569 1.00 12.05 H new ATOM 0 HA HIS A 66 5.098 5.465 -6.003 1.00 35.23 H new ATOM 0 HB2 HIS A 66 5.589 6.256 -8.896 1.00 51.21 H new ATOM 0 HB3 HIS A 66 4.368 5.118 -8.362 1.00 51.21 H new ATOM 0 HD2 HIS A 66 4.047 7.852 -5.886 1.00 53.41 H new ATOM 0 HE1 HIS A 66 1.530 9.031 -9.111 1.00 23.23 H new ATOM 0 HE2 HIS A 66 2.044 9.422 -6.622 1.00 43.44 H new ATOM 960 N SER A 67 7.748 4.211 -6.360 1.00 4.24 N ATOM 961 CA SER A 67 8.585 3.018 -6.387 1.00 21.23 C ATOM 962 C SER A 67 9.119 2.751 -4.976 1.00 72.32 C ATOM 963 O SER A 67 9.369 3.689 -4.226 1.00 24.22 O ATOM 964 CB SER A 67 9.755 3.237 -7.360 1.00 3.11 C ATOM 965 OG SER A 67 10.267 4.556 -7.278 1.00 24.12 O ATOM 0 H SER A 67 8.150 4.954 -5.788 1.00 4.24 H new ATOM 0 HA SER A 67 8.001 2.160 -6.721 1.00 21.23 H new ATOM 0 HB2 SER A 67 10.550 2.524 -7.140 1.00 3.11 H new ATOM 0 HB3 SER A 67 9.423 3.039 -8.379 1.00 3.11 H new ATOM 0 HG SER A 67 10.149 4.897 -6.367 1.00 24.12 H new ATOM 970 N LEU A 68 9.362 1.491 -4.622 1.00 61.30 N ATOM 971 CA LEU A 68 10.100 1.107 -3.405 1.00 71.13 C ATOM 972 C LEU A 68 11.118 0.017 -3.729 1.00 44.44 C ATOM 973 O LEU A 68 11.095 -0.537 -4.834 1.00 63.34 O ATOM 974 CB LEU A 68 9.195 0.588 -2.275 1.00 75.22 C ATOM 975 CG LEU A 68 8.081 1.512 -1.757 1.00 32.31 C ATOM 976 CD1 LEU A 68 7.191 0.751 -0.767 1.00 60.02 C ATOM 977 CD2 LEU A 68 8.650 2.737 -1.042 1.00 43.52 C ATOM 0 H LEU A 68 9.051 0.692 -5.175 1.00 61.30 H new ATOM 0 HA LEU A 68 10.586 2.018 -3.056 1.00 71.13 H new ATOM 0 HB2 LEU A 68 8.729 -0.336 -2.619 1.00 75.22 H new ATOM 0 HB3 LEU A 68 9.833 0.328 -1.430 1.00 75.22 H new ATOM 0 HG LEU A 68 7.506 1.842 -2.622 1.00 32.31 H new ATOM 0 HD11 LEU A 68 6.404 1.411 -0.404 1.00 60.02 H new ATOM 0 HD12 LEU A 68 6.743 -0.108 -1.267 1.00 60.02 H new ATOM 0 HD13 LEU A 68 7.793 0.408 0.074 1.00 60.02 H new ATOM 0 HD21 LEU A 68 7.832 3.366 -0.690 1.00 43.52 H new ATOM 0 HD22 LEU A 68 9.252 2.415 -0.192 1.00 43.52 H new ATOM 0 HD23 LEU A 68 9.273 3.305 -1.733 1.00 43.52 H new ATOM 988 N ASN A 69 11.978 -0.344 -2.765 1.00 40.43 N ATOM 989 CA ASN A 69 12.958 -1.402 -2.977 1.00 2.11 C ATOM 990 C ASN A 69 13.198 -2.194 -1.706 1.00 14.21 C ATOM 991 O ASN A 69 13.893 -1.710 -0.816 1.00 1.32 O ATOM 992 CB ASN A 69 14.262 -0.805 -3.500 1.00 61.34 C ATOM 993 CG ASN A 69 15.195 -1.907 -3.981 1.00 64.30 C ATOM 994 OD1 ASN A 69 16.150 -2.278 -3.303 1.00 3.44 O ATOM 995 ND2 ASN A 69 14.919 -2.495 -5.130 1.00 40.22 N ATOM 0 H ASN A 69 12.009 0.082 -1.839 1.00 40.43 H new ATOM 0 HA ASN A 69 12.563 -2.093 -3.722 1.00 2.11 H new ATOM 0 HB2 ASN A 69 14.052 -0.115 -4.318 1.00 61.34 H new ATOM 0 HB3 ASN A 69 14.746 -0.228 -2.713 1.00 61.34 H new ATOM 0 HD21 ASN A 69 15.501 -3.264 -5.462 1.00 40.22 H new ATOM 0 HD22 ASN A 69 14.124 -2.180 -5.686 1.00 40.22 H new ATOM 1001 N ILE A 70 12.655 -3.404 -1.590 1.00 52.41 N ATOM 1002 CA ILE A 70 12.683 -4.182 -0.352 1.00 41.23 C ATOM 1003 C ILE A 70 13.213 -5.576 -0.685 1.00 3.24 C ATOM 1004 O ILE A 70 12.795 -6.174 -1.680 1.00 40.54 O ATOM 1005 CB ILE A 70 11.268 -4.183 0.249 1.00 43.32 C ATOM 1006 CG1 ILE A 70 10.782 -2.748 0.551 1.00 62.24 C ATOM 1007 CG2 ILE A 70 11.175 -5.027 1.529 1.00 64.20 C ATOM 1008 CD1 ILE A 70 9.656 -2.324 -0.397 1.00 1.14 C ATOM 0 H ILE A 70 12.179 -3.877 -2.359 1.00 52.41 H new ATOM 0 HA ILE A 70 13.346 -3.756 0.401 1.00 41.23 H new ATOM 0 HB ILE A 70 10.623 -4.633 -0.506 1.00 43.32 H new ATOM 0 HG12 ILE A 70 10.432 -2.691 1.582 1.00 62.24 H new ATOM 0 HG13 ILE A 70 11.617 -2.053 0.459 1.00 62.24 H new ATOM 0 HG21 ILE A 70 10.155 -4.994 1.913 1.00 64.20 H new ATOM 0 HG22 ILE A 70 11.445 -6.059 1.305 1.00 64.20 H new ATOM 0 HG23 ILE A 70 11.858 -4.628 2.279 1.00 64.20 H new ATOM 0 HD11 ILE A 70 9.339 -1.309 -0.155 1.00 1.14 H new ATOM 0 HD12 ILE A 70 10.015 -2.356 -1.426 1.00 1.14 H new ATOM 0 HD13 ILE A 70 8.811 -3.004 -0.286 1.00 1.14 H new ATOM 1019 N LEU A 71 14.171 -6.068 0.113 1.00 54.44 N ATOM 1020 CA LEU A 71 14.981 -7.258 -0.165 1.00 0.43 C ATOM 1021 C LEU A 71 15.598 -7.180 -1.578 1.00 72.41 C ATOM 1022 O LEU A 71 15.855 -8.206 -2.217 1.00 41.54 O ATOM 1023 CB LEU A 71 14.186 -8.559 0.105 1.00 21.44 C ATOM 1024 CG LEU A 71 13.971 -8.931 1.590 1.00 73.20 C ATOM 1025 CD1 LEU A 71 12.991 -8.024 2.335 1.00 4.55 C ATOM 1026 CD2 LEU A 71 13.403 -10.355 1.673 1.00 21.31 C ATOM 0 H LEU A 71 14.410 -5.630 1.003 1.00 54.44 H new ATOM 0 HA LEU A 71 15.821 -7.286 0.530 1.00 0.43 H new ATOM 0 HB2 LEU A 71 13.209 -8.469 -0.371 1.00 21.44 H new ATOM 0 HB3 LEU A 71 14.703 -9.385 -0.384 1.00 21.44 H new ATOM 0 HG LEU A 71 14.949 -8.826 2.060 1.00 73.20 H new ATOM 0 HD11 LEU A 71 12.901 -8.357 3.369 1.00 4.55 H new ATOM 0 HD12 LEU A 71 13.358 -6.998 2.315 1.00 4.55 H new ATOM 0 HD13 LEU A 71 12.015 -8.069 1.853 1.00 4.55 H new ATOM 0 HD21 LEU A 71 13.249 -10.625 2.718 1.00 21.31 H new ATOM 0 HD22 LEU A 71 12.452 -10.399 1.142 1.00 21.31 H new ATOM 0 HD23 LEU A 71 14.105 -11.054 1.218 1.00 21.31 H new ATOM 1037 N GLY A 72 15.799 -5.965 -2.099 1.00 71.02 N ATOM 1038 CA GLY A 72 16.355 -5.692 -3.414 1.00 14.32 C ATOM 1039 C GLY A 72 15.331 -5.713 -4.553 1.00 23.05 C ATOM 1040 O GLY A 72 15.667 -5.248 -5.646 1.00 44.43 O ATOM 0 H GLY A 72 15.566 -5.113 -1.588 1.00 71.02 H new ATOM 0 HA2 GLY A 72 16.838 -4.715 -3.395 1.00 14.32 H new ATOM 0 HA3 GLY A 72 17.131 -6.427 -3.626 1.00 14.32 H new ATOM 1044 N GLN A 73 14.100 -6.190 -4.342 1.00 75.11 N ATOM 1045 CA GLN A 73 13.090 -6.251 -5.387 1.00 12.42 C ATOM 1046 C GLN A 73 12.549 -4.843 -5.616 1.00 55.50 C ATOM 1047 O GLN A 73 12.273 -4.112 -4.665 1.00 73.04 O ATOM 1048 CB GLN A 73 11.962 -7.210 -4.989 1.00 52.12 C ATOM 1049 CG GLN A 73 12.281 -8.690 -5.272 1.00 14.41 C ATOM 1050 CD GLN A 73 13.483 -9.231 -4.501 1.00 20.44 C ATOM 1051 OE1 GLN A 73 14.511 -9.572 -5.085 1.00 75.44 O ATOM 1052 NE2 GLN A 73 13.387 -9.326 -3.187 1.00 43.42 N ATOM 0 H GLN A 73 13.782 -6.543 -3.439 1.00 75.11 H new ATOM 0 HA GLN A 73 13.531 -6.629 -6.309 1.00 12.42 H new ATOM 0 HB2 GLN A 73 11.752 -7.089 -3.926 1.00 52.12 H new ATOM 0 HB3 GLN A 73 11.055 -6.933 -5.527 1.00 52.12 H new ATOM 0 HG2 GLN A 73 11.406 -9.292 -5.027 1.00 14.41 H new ATOM 0 HG3 GLN A 73 12.463 -8.813 -6.340 1.00 14.41 H new ATOM 0 HE21 GLN A 73 12.529 -9.040 -2.716 1.00 43.42 H new ATOM 0 HE22 GLN A 73 14.171 -9.686 -2.643 1.00 43.42 H new ATOM 1059 N LYS A 74 12.425 -4.444 -6.880 1.00 23.42 N ATOM 1060 CA LYS A 74 11.998 -3.125 -7.317 1.00 64.33 C ATOM 1061 C LYS A 74 10.478 -3.123 -7.427 1.00 54.11 C ATOM 1062 O LYS A 74 9.921 -3.507 -8.459 1.00 0.42 O ATOM 1063 CB LYS A 74 12.729 -2.792 -8.625 1.00 71.20 C ATOM 1064 CG LYS A 74 12.317 -1.417 -9.161 1.00 52.10 C ATOM 1065 CD LYS A 74 13.224 -0.944 -10.299 1.00 34.25 C ATOM 1066 CE LYS A 74 14.608 -0.518 -9.805 1.00 43.24 C ATOM 1067 NZ LYS A 74 15.570 -0.362 -10.916 1.00 63.13 N ATOM 0 H LYS A 74 12.631 -5.065 -7.662 1.00 23.42 H new ATOM 0 HA LYS A 74 12.257 -2.340 -6.607 1.00 64.33 H new ATOM 0 HB2 LYS A 74 13.806 -2.811 -8.457 1.00 71.20 H new ATOM 0 HB3 LYS A 74 12.509 -3.556 -9.371 1.00 71.20 H new ATOM 0 HG2 LYS A 74 11.287 -1.461 -9.514 1.00 52.10 H new ATOM 0 HG3 LYS A 74 12.345 -0.689 -8.350 1.00 52.10 H new ATOM 0 HD2 LYS A 74 13.333 -1.745 -11.030 1.00 34.25 H new ATOM 0 HD3 LYS A 74 12.751 -0.107 -10.812 1.00 34.25 H new ATOM 0 HE2 LYS A 74 14.525 0.424 -9.263 1.00 43.24 H new ATOM 0 HE3 LYS A 74 14.985 -1.259 -9.101 1.00 43.24 H new ATOM 0 HZ1 LYS A 74 16.494 -0.073 -10.537 1.00 63.13 H new ATOM 0 HZ2 LYS A 74 15.670 -1.267 -11.419 1.00 63.13 H new ATOM 0 HZ3 LYS A 74 15.224 0.364 -11.576 1.00 63.13 H new ATOM 1077 N VAL A 75 9.836 -2.708 -6.343 1.00 22.35 N ATOM 1078 CA VAL A 75 8.396 -2.672 -6.144 1.00 22.32 C ATOM 1079 C VAL A 75 7.819 -1.446 -6.868 1.00 42.12 C ATOM 1080 O VAL A 75 8.500 -0.420 -7.005 1.00 22.12 O ATOM 1081 CB VAL A 75 8.137 -2.593 -4.620 1.00 54.40 C ATOM 1082 CG1 VAL A 75 6.666 -2.812 -4.254 1.00 71.23 C ATOM 1083 CG2 VAL A 75 8.972 -3.598 -3.803 1.00 74.11 C ATOM 0 H VAL A 75 10.342 -2.365 -5.526 1.00 22.35 H new ATOM 0 HA VAL A 75 7.913 -3.561 -6.550 1.00 22.32 H new ATOM 0 HB VAL A 75 8.438 -1.578 -4.362 1.00 54.40 H new ATOM 0 HG11 VAL A 75 6.546 -2.745 -3.173 1.00 71.23 H new ATOM 0 HG12 VAL A 75 6.054 -2.049 -4.735 1.00 71.23 H new ATOM 0 HG13 VAL A 75 6.349 -3.798 -4.594 1.00 71.23 H new ATOM 0 HG21 VAL A 75 8.740 -3.487 -2.744 1.00 74.11 H new ATOM 0 HG22 VAL A 75 8.735 -4.613 -4.122 1.00 74.11 H new ATOM 0 HG23 VAL A 75 10.033 -3.406 -3.964 1.00 74.11 H new ATOM 1093 N SER A 76 6.542 -1.502 -7.248 1.00 11.43 N ATOM 1094 CA SER A 76 5.764 -0.376 -7.765 1.00 62.42 C ATOM 1095 C SER A 76 4.547 -0.181 -6.859 1.00 51.40 C ATOM 1096 O SER A 76 3.738 -1.097 -6.717 1.00 41.22 O ATOM 1097 CB SER A 76 5.340 -0.661 -9.211 1.00 75.22 C ATOM 1098 OG SER A 76 6.463 -0.944 -10.023 1.00 24.12 O ATOM 0 H SER A 76 6.001 -2.365 -7.202 1.00 11.43 H new ATOM 0 HA SER A 76 6.360 0.537 -7.768 1.00 62.42 H new ATOM 0 HB2 SER A 76 4.650 -1.505 -9.232 1.00 75.22 H new ATOM 0 HB3 SER A 76 4.804 0.199 -9.613 1.00 75.22 H new ATOM 0 HG SER A 76 6.189 -0.966 -10.964 1.00 24.12 H new ATOM 1103 N MET A 77 4.427 0.973 -6.198 1.00 12.32 N ATOM 1104 CA MET A 77 3.215 1.330 -5.452 1.00 41.11 C ATOM 1105 C MET A 77 2.191 1.958 -6.392 1.00 64.41 C ATOM 1106 O MET A 77 2.573 2.623 -7.359 1.00 32.34 O ATOM 1107 CB MET A 77 3.506 2.280 -4.279 1.00 20.15 C ATOM 1108 CG MET A 77 4.388 3.485 -4.584 1.00 63.53 C ATOM 1109 SD MET A 77 5.673 3.898 -3.376 1.00 33.12 S ATOM 1110 CE MET A 77 4.728 4.059 -1.836 1.00 20.11 C ATOM 0 H MET A 77 5.160 1.682 -6.164 1.00 12.32 H new ATOM 0 HA MET A 77 2.812 0.410 -5.029 1.00 41.11 H new ATOM 0 HB2 MET A 77 2.555 2.643 -3.890 1.00 20.15 H new ATOM 0 HB3 MET A 77 3.978 1.705 -3.483 1.00 20.15 H new ATOM 0 HG2 MET A 77 4.871 3.315 -5.546 1.00 63.53 H new ATOM 0 HG3 MET A 77 3.742 4.355 -4.701 1.00 63.53 H new ATOM 0 HE1 MET A 77 5.344 4.546 -1.080 1.00 20.11 H new ATOM 0 HE2 MET A 77 3.835 4.658 -2.018 1.00 20.11 H new ATOM 0 HE3 MET A 77 4.436 3.070 -1.483 1.00 20.11 H new ATOM 1118 N HIS A 78 0.907 1.767 -6.086 1.00 63.13 N ATOM 1119 CA HIS A 78 -0.223 2.270 -6.850 1.00 42.42 C ATOM 1120 C HIS A 78 -1.337 2.711 -5.911 1.00 35.44 C ATOM 1121 O HIS A 78 -1.561 2.077 -4.876 1.00 40.04 O ATOM 1122 CB HIS A 78 -0.748 1.163 -7.769 1.00 61.44 C ATOM 1123 CG HIS A 78 0.217 0.850 -8.876 1.00 20.54 C ATOM 1124 ND1 HIS A 78 0.292 1.529 -10.067 1.00 43.42 N ATOM 1125 CD2 HIS A 78 1.243 -0.056 -8.829 1.00 40.12 C ATOM 1126 CE1 HIS A 78 1.338 1.036 -10.740 1.00 52.13 C ATOM 1127 NE2 HIS A 78 1.941 0.052 -10.041 1.00 75.20 N ATOM 0 H HIS A 78 0.620 1.235 -5.264 1.00 63.13 H new ATOM 0 HA HIS A 78 0.103 3.124 -7.444 1.00 42.42 H new ATOM 0 HB2 HIS A 78 -0.933 0.262 -7.183 1.00 61.44 H new ATOM 0 HB3 HIS A 78 -1.704 1.468 -8.196 1.00 61.44 H new ATOM 0 HD2 HIS A 78 1.471 -0.726 -8.014 1.00 40.12 H new ATOM 0 HE1 HIS A 78 1.657 1.380 -11.713 1.00 52.13 H new ATOM 0 HE2 HIS A 78 2.745 -0.503 -10.335 1.00 75.20 H new ATOM 1134 N TYR A 79 -2.076 3.747 -6.304 1.00 22.51 N ATOM 1135 CA TYR A 79 -3.378 4.072 -5.745 1.00 41.45 C ATOM 1136 C TYR A 79 -4.325 2.906 -6.067 1.00 4.03 C ATOM 1137 O TYR A 79 -4.417 2.508 -7.228 1.00 2.30 O ATOM 1138 CB TYR A 79 -3.854 5.403 -6.366 1.00 55.24 C ATOM 1139 CG TYR A 79 -2.995 6.616 -6.026 1.00 54.15 C ATOM 1140 CD1 TYR A 79 -2.780 6.947 -4.682 1.00 62.32 C ATOM 1141 CD2 TYR A 79 -2.391 7.404 -7.025 1.00 61.55 C ATOM 1142 CE1 TYR A 79 -1.973 8.031 -4.309 1.00 22.40 C ATOM 1143 CE2 TYR A 79 -1.527 8.461 -6.675 1.00 75.22 C ATOM 1144 CZ TYR A 79 -1.296 8.764 -5.312 1.00 40.24 C ATOM 1145 OH TYR A 79 -0.442 9.759 -4.957 1.00 62.33 O ATOM 0 H TYR A 79 -1.777 4.394 -7.034 1.00 22.51 H new ATOM 0 HA TYR A 79 -3.346 4.203 -4.663 1.00 41.45 H new ATOM 0 HB2 TYR A 79 -3.885 5.291 -7.450 1.00 55.24 H new ATOM 0 HB3 TYR A 79 -4.875 5.596 -6.037 1.00 55.24 H new ATOM 0 HD1 TYR A 79 -3.248 6.351 -3.913 1.00 62.32 H new ATOM 0 HD2 TYR A 79 -2.591 7.197 -8.066 1.00 61.55 H new ATOM 0 HE1 TYR A 79 -1.869 8.303 -3.269 1.00 22.40 H new ATOM 0 HE2 TYR A 79 -1.041 9.040 -7.447 1.00 75.22 H new ATOM 0 HH TYR A 79 -0.058 10.163 -5.763 1.00 62.33 H new ATOM 1154 N SER A 80 -5.033 2.347 -5.083 1.00 0.42 N ATOM 1155 CA SER A 80 -5.987 1.253 -5.298 1.00 55.25 C ATOM 1156 C SER A 80 -7.173 1.433 -4.348 1.00 23.22 C ATOM 1157 O SER A 80 -7.512 0.548 -3.564 1.00 3.24 O ATOM 1158 CB SER A 80 -5.276 -0.101 -5.146 1.00 53.23 C ATOM 1159 OG SER A 80 -5.977 -1.171 -5.761 1.00 32.24 O ATOM 0 H SER A 80 -4.961 2.641 -4.109 1.00 0.42 H new ATOM 0 HA SER A 80 -6.383 1.274 -6.313 1.00 55.25 H new ATOM 0 HB2 SER A 80 -4.278 -0.031 -5.580 1.00 53.23 H new ATOM 0 HB3 SER A 80 -5.148 -0.320 -4.086 1.00 53.23 H new ATOM 0 HG SER A 80 -5.396 -1.959 -5.808 1.00 32.24 H new