USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 595 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 58 THR OG1 : rot -60:sc= 0.742 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.665 USER MOD Set 2.1: A 8 MET CE :methyl -127:sc= 0 (180deg=-0.103) USER MOD Set 2.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 78 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.17) USER MOD Set 3.1: A 64 ASN : amide:sc= 0.0342 K(o=0.034,f=-0.86) USER MOD Set 3.2: A 77 MET CE :methyl -134:sc= 0 (180deg=-1.61!) USER MOD Set 4.1: A 61 MET CE :methyl -130:sc= -0.0298 (180deg=-0.771) USER MOD Set 4.2: A 66 HIS : no HD1:sc= -0.597 X(o=-0.63,f=-0.21) USER MOD Set 5.1: A 28 GLN : amide:sc= 0.18 X(o=0.32,f=-0.054) USER MOD Set 5.2: A 52 SER OG : rot 131:sc= 0.135 USER MOD Set 6.1: A 37 ASN : amide:sc= 1.2 K(o=1.5,f=-10!) USER MOD Set 6.2: A 42 GLN : amide:sc= 0.269 K(o=1.5,f=-10!) USER MOD Single : A 1 SER N :NH3+ 140:sc= 0.0768 (180deg=0) USER MOD Single : A 1 SER OG : rot -84:sc= 1.29 USER MOD Single : A 2 ASN : amide:sc= 1.88 K(o=1.9,f=-1.3) USER MOD Single : A 5 MET CE :methyl -150:sc= 0 (180deg=-1.79) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.031 F(o=-0.95,f=-0.031) USER MOD Single : A 14 THR OG1 : rot 14:sc= 1.24 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 35 MET CE :methyl 136:sc= -0.245 (180deg=-0.907) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -118:sc= 0.406 USER MOD Single : A 53 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.025) USER MOD Single : A 55 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.12) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0798 K(o=-0.08,f=-2.5!) USER MOD Single : A 73 GLN : amide:sc= 0.386 K(o=0.39,f=-1.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 141:sc= 0.0342 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.428 X(o=-0.43,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.615 10.807 -2.262 1.00 54.32 N ATOM 2 CA SER A 1 -5.531 9.363 -2.031 1.00 70.32 C ATOM 3 C SER A 1 -4.761 9.118 -0.741 1.00 33.31 C ATOM 4 O SER A 1 -3.829 9.855 -0.425 1.00 52.01 O ATOM 5 CB SER A 1 -4.892 8.650 -3.230 1.00 51.44 C ATOM 6 OG SER A 1 -5.539 8.998 -4.452 1.00 65.20 O ATOM 0 H1 SER A 1 -5.482 11.005 -3.274 1.00 54.32 H new ATOM 0 H2 SER A 1 -6.548 11.153 -1.961 1.00 54.32 H new ATOM 0 H3 SER A 1 -4.874 11.290 -1.715 1.00 54.32 H new ATOM 0 HA SER A 1 -6.532 8.946 -1.925 1.00 70.32 H new ATOM 0 HB2 SER A 1 -3.836 8.912 -3.289 1.00 51.44 H new ATOM 0 HB3 SER A 1 -4.945 7.571 -3.084 1.00 51.44 H new ATOM 0 HG SER A 1 -6.331 8.434 -4.575 1.00 65.20 H new ATOM 11 N ASN A 2 -5.142 8.090 0.020 1.00 11.13 N ATOM 12 CA ASN A 2 -4.485 7.695 1.270 1.00 13.14 C ATOM 13 C ASN A 2 -4.266 6.185 1.347 1.00 62.14 C ATOM 14 O ASN A 2 -4.041 5.671 2.443 1.00 41.40 O ATOM 15 CB ASN A 2 -5.299 8.169 2.485 1.00 24.53 C ATOM 16 CG ASN A 2 -6.512 7.277 2.780 1.00 3.01 C ATOM 17 OD1 ASN A 2 -7.217 6.817 1.885 1.00 43.14 O ATOM 18 ND2 ASN A 2 -6.799 7.037 4.044 1.00 70.11 N ATOM 0 H ASN A 2 -5.934 7.494 -0.220 1.00 11.13 H new ATOM 0 HA ASN A 2 -3.507 8.176 1.284 1.00 13.14 H new ATOM 0 HB2 ASN A 2 -4.652 8.194 3.362 1.00 24.53 H new ATOM 0 HB3 ASN A 2 -5.639 9.190 2.311 1.00 24.53 H new ATOM 0 HD21 ASN A 2 -7.610 6.467 4.283 1.00 70.11 H new ATOM 0 HD22 ASN A 2 -6.210 7.422 4.783 1.00 70.11 H new ATOM 24 N ILE A 3 -4.250 5.475 0.216 1.00 44.45 N ATOM 25 CA ILE A 3 -3.798 4.094 0.164 1.00 53.33 C ATOM 26 C ILE A 3 -2.665 3.971 -0.843 1.00 64.45 C ATOM 27 O ILE A 3 -2.833 4.392 -1.990 1.00 31.53 O ATOM 28 CB ILE A 3 -4.958 3.149 -0.170 1.00 14.23 C ATOM 29 CG1 ILE A 3 -5.950 3.080 1.003 1.00 52.35 C ATOM 30 CG2 ILE A 3 -4.394 1.754 -0.483 1.00 44.05 C ATOM 31 CD1 ILE A 3 -7.255 2.378 0.634 1.00 72.25 C ATOM 0 H ILE A 3 -4.551 5.846 -0.685 1.00 44.45 H new ATOM 0 HA ILE A 3 -3.423 3.801 1.145 1.00 53.33 H new ATOM 0 HB ILE A 3 -5.494 3.526 -1.041 1.00 14.23 H new ATOM 0 HG12 ILE A 3 -5.484 2.555 1.837 1.00 52.35 H new ATOM 0 HG13 ILE A 3 -6.171 4.091 1.346 1.00 52.35 H new ATOM 0 HG21 ILE A 3 -5.213 1.076 -0.722 1.00 44.05 H new ATOM 0 HG22 ILE A 3 -3.716 1.818 -1.334 1.00 44.05 H new ATOM 0 HG23 ILE A 3 -3.852 1.378 0.385 1.00 44.05 H new ATOM 0 HD11 ILE A 3 -7.916 2.359 1.501 1.00 72.25 H new ATOM 0 HD12 ILE A 3 -7.740 2.916 -0.180 1.00 72.25 H new ATOM 0 HD13 ILE A 3 -7.042 1.357 0.318 1.00 72.25 H new ATOM 42 N VAL A 4 -1.583 3.281 -0.466 1.00 34.42 N ATOM 43 CA VAL A 4 -0.555 2.891 -1.418 1.00 2.03 C ATOM 44 C VAL A 4 -0.707 1.377 -1.618 1.00 0.00 C ATOM 45 O VAL A 4 -0.644 0.606 -0.654 1.00 11.34 O ATOM 46 CB VAL A 4 0.832 3.399 -0.965 1.00 74.25 C ATOM 47 CG1 VAL A 4 1.808 3.314 -2.130 1.00 71.13 C ATOM 48 CG2 VAL A 4 0.813 4.856 -0.478 1.00 44.03 C ATOM 0 H VAL A 4 -1.403 2.984 0.493 1.00 34.42 H new ATOM 0 HA VAL A 4 -0.665 3.358 -2.397 1.00 2.03 H new ATOM 0 HB VAL A 4 1.134 2.765 -0.131 1.00 74.25 H new ATOM 0 HG11 VAL A 4 2.787 3.672 -1.811 1.00 71.13 H new ATOM 0 HG12 VAL A 4 1.890 2.279 -2.461 1.00 71.13 H new ATOM 0 HG13 VAL A 4 1.446 3.930 -2.953 1.00 71.13 H new ATOM 0 HG21 VAL A 4 1.817 5.151 -0.174 1.00 44.03 H new ATOM 0 HG22 VAL A 4 0.472 5.505 -1.285 1.00 44.03 H new ATOM 0 HG23 VAL A 4 0.136 4.947 0.371 1.00 44.03 H new ATOM 58 N MET A 5 -0.987 0.945 -2.851 1.00 54.25 N ATOM 59 CA MET A 5 -0.676 -0.410 -3.300 1.00 24.32 C ATOM 60 C MET A 5 0.828 -0.459 -3.518 1.00 4.12 C ATOM 61 O MET A 5 1.363 0.477 -4.108 1.00 24.14 O ATOM 62 CB MET A 5 -1.350 -0.729 -4.647 1.00 4.14 C ATOM 63 CG MET A 5 -2.556 -1.650 -4.510 1.00 73.24 C ATOM 64 SD MET A 5 -3.280 -2.098 -6.113 1.00 4.50 S ATOM 65 CE MET A 5 -2.361 -3.619 -6.459 1.00 34.40 C ATOM 0 H MET A 5 -1.434 1.524 -3.562 1.00 54.25 H new ATOM 0 HA MET A 5 -1.029 -1.127 -2.559 1.00 24.32 H new ATOM 0 HB2 MET A 5 -1.664 0.202 -5.119 1.00 4.14 H new ATOM 0 HB3 MET A 5 -0.620 -1.193 -5.311 1.00 4.14 H new ATOM 0 HG2 MET A 5 -2.258 -2.557 -3.984 1.00 73.24 H new ATOM 0 HG3 MET A 5 -3.314 -1.161 -3.897 1.00 73.24 H new ATOM 0 HE1 MET A 5 -2.254 -3.742 -7.537 1.00 34.40 H new ATOM 0 HE2 MET A 5 -1.374 -3.560 -6.001 1.00 34.40 H new ATOM 0 HE3 MET A 5 -2.901 -4.472 -6.048 1.00 34.40 H new ATOM 73 N LEU A 6 1.481 -1.553 -3.124 1.00 33.21 N ATOM 74 CA LEU A 6 2.906 -1.785 -3.349 1.00 14.23 C ATOM 75 C LEU A 6 3.033 -3.068 -4.159 1.00 52.04 C ATOM 76 O LEU A 6 3.068 -4.144 -3.575 1.00 52.23 O ATOM 77 CB LEU A 6 3.673 -1.929 -2.013 1.00 21.30 C ATOM 78 CG LEU A 6 3.815 -0.708 -1.089 1.00 74.23 C ATOM 79 CD1 LEU A 6 4.248 0.538 -1.860 1.00 14.22 C ATOM 80 CD2 LEU A 6 2.551 -0.443 -0.278 1.00 33.10 C ATOM 0 H LEU A 6 1.023 -2.318 -2.629 1.00 33.21 H new ATOM 0 HA LEU A 6 3.339 -0.937 -3.879 1.00 14.23 H new ATOM 0 HB2 LEU A 6 3.186 -2.718 -1.440 1.00 21.30 H new ATOM 0 HB3 LEU A 6 4.678 -2.280 -2.249 1.00 21.30 H new ATOM 0 HG LEU A 6 4.605 -0.950 -0.378 1.00 74.23 H new ATOM 0 HD11 LEU A 6 4.337 1.379 -1.172 1.00 14.22 H new ATOM 0 HD12 LEU A 6 5.211 0.355 -2.336 1.00 14.22 H new ATOM 0 HD13 LEU A 6 3.505 0.770 -2.623 1.00 14.22 H new ATOM 0 HD21 LEU A 6 2.703 0.429 0.358 1.00 33.10 H new ATOM 0 HD22 LEU A 6 1.717 -0.258 -0.955 1.00 33.10 H new ATOM 0 HD23 LEU A 6 2.329 -1.311 0.343 1.00 33.10 H new ATOM 91 N ARG A 7 3.003 -2.991 -5.487 1.00 54.13 N ATOM 92 CA ARG A 7 3.073 -4.174 -6.350 1.00 75.24 C ATOM 93 C ARG A 7 4.505 -4.692 -6.434 1.00 2.32 C ATOM 94 O ARG A 7 5.439 -3.909 -6.289 1.00 43.33 O ATOM 95 CB ARG A 7 2.591 -3.813 -7.765 1.00 63.21 C ATOM 96 CG ARG A 7 1.065 -3.729 -7.871 1.00 4.22 C ATOM 97 CD ARG A 7 0.660 -3.375 -9.310 1.00 74.31 C ATOM 98 NE ARG A 7 -0.547 -4.090 -9.765 1.00 24.14 N ATOM 99 CZ ARG A 7 -0.585 -5.366 -10.180 1.00 21.33 C ATOM 100 NH1 ARG A 7 0.510 -6.123 -10.172 1.00 20.40 N ATOM 101 NH2 ARG A 7 -1.724 -5.893 -10.603 1.00 62.34 N ATOM 0 H ARG A 7 2.930 -2.111 -5.997 1.00 54.13 H new ATOM 0 HA ARG A 7 2.436 -4.949 -5.924 1.00 75.24 H new ATOM 0 HB2 ARG A 7 3.024 -2.856 -8.058 1.00 63.21 H new ATOM 0 HB3 ARG A 7 2.959 -4.559 -8.470 1.00 63.21 H new ATOM 0 HG2 ARG A 7 0.619 -4.680 -7.582 1.00 4.22 H new ATOM 0 HG3 ARG A 7 0.685 -2.976 -7.181 1.00 4.22 H new ATOM 0 HD2 ARG A 7 0.486 -2.301 -9.378 1.00 74.31 H new ATOM 0 HD3 ARG A 7 1.487 -3.607 -9.981 1.00 74.31 H new ATOM 0 HE ARG A 7 -1.426 -3.572 -9.764 1.00 24.14 H new ATOM 0 HH11 ARG A 7 1.396 -5.735 -9.847 1.00 20.40 H new ATOM 0 HH12 ARG A 7 0.463 -7.091 -10.491 1.00 20.40 H new ATOM 0 HH21 ARG A 7 -2.574 -5.329 -10.614 1.00 62.34 H new ATOM 0 HH22 ARG A 7 -1.751 -6.863 -10.918 1.00 62.34 H new ATOM 112 N MET A 8 4.672 -5.950 -6.852 1.00 13.12 N ATOM 113 CA MET A 8 5.947 -6.639 -7.086 1.00 54.31 C ATOM 114 C MET A 8 6.641 -7.075 -5.779 1.00 22.24 C ATOM 115 O MET A 8 7.807 -7.473 -5.812 1.00 22.20 O ATOM 116 CB MET A 8 6.857 -5.867 -8.068 1.00 31.42 C ATOM 117 CG MET A 8 6.087 -5.267 -9.256 1.00 11.11 C ATOM 118 SD MET A 8 7.070 -4.686 -10.666 1.00 4.31 S ATOM 119 CE MET A 8 7.962 -3.303 -9.904 1.00 40.12 C ATOM 0 H MET A 8 3.873 -6.552 -7.048 1.00 13.12 H new ATOM 0 HA MET A 8 5.715 -7.576 -7.593 1.00 54.31 H new ATOM 0 HB2 MET A 8 7.366 -5.067 -7.530 1.00 31.42 H new ATOM 0 HB3 MET A 8 7.628 -6.539 -8.444 1.00 31.42 H new ATOM 0 HG2 MET A 8 5.385 -6.018 -9.619 1.00 11.11 H new ATOM 0 HG3 MET A 8 5.495 -4.429 -8.888 1.00 11.11 H new ATOM 0 HE1 MET A 8 7.818 -2.403 -10.502 1.00 40.12 H new ATOM 0 HE2 MET A 8 7.580 -3.134 -8.897 1.00 40.12 H new ATOM 0 HE3 MET A 8 9.025 -3.539 -9.854 1.00 40.12 H new ATOM 127 N LEU A 9 5.934 -7.069 -4.635 1.00 32.20 N ATOM 128 CA LEU A 9 6.394 -7.642 -3.366 1.00 41.25 C ATOM 129 C LEU A 9 6.596 -9.163 -3.494 1.00 51.02 C ATOM 130 O LEU A 9 5.811 -9.836 -4.180 1.00 73.22 O ATOM 131 CB LEU A 9 5.372 -7.387 -2.238 1.00 1.01 C ATOM 132 CG LEU A 9 5.401 -5.971 -1.635 1.00 33.10 C ATOM 133 CD1 LEU A 9 4.168 -5.740 -0.753 1.00 43.35 C ATOM 134 CD2 LEU A 9 6.639 -5.771 -0.755 1.00 34.23 C ATOM 0 H LEU A 9 5.004 -6.654 -4.570 1.00 32.20 H new ATOM 0 HA LEU A 9 7.340 -7.158 -3.122 1.00 41.25 H new ATOM 0 HB2 LEU A 9 4.372 -7.579 -2.626 1.00 1.01 H new ATOM 0 HB3 LEU A 9 5.548 -8.108 -1.440 1.00 1.01 H new ATOM 0 HG LEU A 9 5.417 -5.269 -2.468 1.00 33.10 H new ATOM 0 HD11 LEU A 9 4.204 -4.734 -0.334 1.00 43.35 H new ATOM 0 HD12 LEU A 9 3.265 -5.851 -1.353 1.00 43.35 H new ATOM 0 HD13 LEU A 9 4.158 -6.470 0.056 1.00 43.35 H new ATOM 0 HD21 LEU A 9 6.633 -4.762 -0.343 1.00 34.23 H new ATOM 0 HD22 LEU A 9 6.628 -6.496 0.059 1.00 34.23 H new ATOM 0 HD23 LEU A 9 7.538 -5.913 -1.354 1.00 34.23 H new ATOM 145 N PRO A 10 7.568 -9.720 -2.745 1.00 54.04 N ATOM 146 CA PRO A 10 7.715 -11.157 -2.535 1.00 52.25 C ATOM 147 C PRO A 10 6.567 -11.724 -1.694 1.00 35.34 C ATOM 148 O PRO A 10 5.676 -10.997 -1.249 1.00 72.51 O ATOM 149 CB PRO A 10 9.060 -11.330 -1.819 1.00 23.11 C ATOM 150 CG PRO A 10 9.248 -10.010 -1.080 1.00 32.10 C ATOM 151 CD PRO A 10 8.568 -8.986 -1.981 1.00 42.45 C ATOM 0 HA PRO A 10 7.686 -11.700 -3.480 1.00 52.25 H new ATOM 0 HB2 PRO A 10 9.042 -12.175 -1.131 1.00 23.11 H new ATOM 0 HB3 PRO A 10 9.870 -11.512 -2.526 1.00 23.11 H new ATOM 0 HG2 PRO A 10 8.791 -10.037 -0.091 1.00 32.10 H new ATOM 0 HG3 PRO A 10 10.304 -9.779 -0.938 1.00 32.10 H new ATOM 0 HD2 PRO A 10 8.105 -8.195 -1.391 1.00 42.45 H new ATOM 0 HD3 PRO A 10 9.291 -8.508 -2.643 1.00 42.45 H new ATOM 156 N GLN A 11 6.631 -13.032 -1.429 1.00 74.45 N ATOM 157 CA GLN A 11 5.766 -13.728 -0.480 1.00 43.01 C ATOM 158 C GLN A 11 6.460 -13.933 0.878 1.00 35.32 C ATOM 159 O GLN A 11 5.845 -14.458 1.807 1.00 55.15 O ATOM 160 CB GLN A 11 5.357 -15.068 -1.120 1.00 63.21 C ATOM 161 CG GLN A 11 4.227 -15.865 -0.450 1.00 31.50 C ATOM 162 CD GLN A 11 2.887 -15.167 -0.575 1.00 21.10 C ATOM 163 OE1 GLN A 11 2.646 -14.126 0.202 1.00 52.02 O flip ATOM 164 NE2 GLN A 11 2.048 -15.559 -1.380 1.00 11.00 N flip ATOM 0 H GLN A 11 7.305 -13.650 -1.882 1.00 74.45 H new ATOM 0 HA GLN A 11 4.880 -13.128 -0.272 1.00 43.01 H new ATOM 0 HB2 GLN A 11 5.063 -14.871 -2.151 1.00 63.21 H new ATOM 0 HB3 GLN A 11 6.240 -15.705 -1.157 1.00 63.21 H new ATOM 0 HG2 GLN A 11 4.164 -16.855 -0.903 1.00 31.50 H new ATOM 0 HG3 GLN A 11 4.462 -16.011 0.604 1.00 31.50 H new ATOM 0 HE21 GLN A 11 2.248 -16.364 -1.974 1.00 11.00 H new ATOM 0 HE22 GLN A 11 1.151 -15.080 -1.456 1.00 11.00 H new ATOM 171 N ALA A 12 7.745 -13.594 0.994 1.00 23.31 N ATOM 172 CA ALA A 12 8.502 -13.644 2.235 1.00 22.12 C ATOM 173 C ALA A 12 8.043 -12.533 3.167 1.00 71.13 C ATOM 174 O ALA A 12 7.732 -12.802 4.327 1.00 62.41 O ATOM 175 CB ALA A 12 9.998 -13.488 1.935 1.00 20.20 C ATOM 0 H ALA A 12 8.299 -13.269 0.202 1.00 23.31 H new ATOM 0 HA ALA A 12 8.332 -14.606 2.719 1.00 22.12 H new ATOM 0 HB1 ALA A 12 10.562 -13.526 2.867 1.00 20.20 H new ATOM 0 HB2 ALA A 12 10.324 -14.296 1.280 1.00 20.20 H new ATOM 0 HB3 ALA A 12 10.173 -12.531 1.444 1.00 20.20 H new ATOM 181 N ALA A 13 8.014 -11.304 2.639 1.00 24.53 N ATOM 182 CA ALA A 13 7.829 -10.100 3.424 1.00 1.13 C ATOM 183 C ALA A 13 6.472 -10.103 4.131 1.00 14.43 C ATOM 184 O ALA A 13 5.530 -10.824 3.777 1.00 31.53 O ATOM 185 CB ALA A 13 8.016 -8.852 2.550 1.00 42.41 C ATOM 0 H ALA A 13 8.121 -11.126 1.640 1.00 24.53 H new ATOM 0 HA ALA A 13 8.593 -10.076 4.202 1.00 1.13 H new ATOM 0 HB1 ALA A 13 7.873 -7.958 3.157 1.00 42.41 H new ATOM 0 HB2 ALA A 13 9.022 -8.849 2.131 1.00 42.41 H new ATOM 0 HB3 ALA A 13 7.286 -8.862 1.741 1.00 42.41 H new ATOM 191 N THR A 14 6.389 -9.259 5.143 1.00 55.12 N ATOM 192 CA THR A 14 5.323 -9.182 6.112 1.00 61.14 C ATOM 193 C THR A 14 4.875 -7.733 6.240 1.00 42.34 C ATOM 194 O THR A 14 5.359 -6.821 5.561 1.00 4.23 O ATOM 195 CB THR A 14 5.798 -9.828 7.435 1.00 63.23 C ATOM 196 OG1 THR A 14 7.083 -9.447 7.922 1.00 15.24 O ATOM 197 CG2 THR A 14 5.826 -11.348 7.299 1.00 60.11 C ATOM 0 H THR A 14 7.116 -8.565 5.317 1.00 55.12 H new ATOM 0 HA THR A 14 4.444 -9.745 5.799 1.00 61.14 H new ATOM 0 HB THR A 14 5.068 -9.457 8.154 1.00 63.23 H new ATOM 0 HG1 THR A 14 7.391 -8.649 7.444 1.00 15.24 H new ATOM 0 HG21 THR A 14 6.162 -11.791 8.237 1.00 60.11 H new ATOM 0 HG22 THR A 14 4.825 -11.711 7.064 1.00 60.11 H new ATOM 0 HG23 THR A 14 6.511 -11.629 6.499 1.00 60.11 H new ATOM 205 N GLU A 15 3.872 -7.545 7.072 1.00 14.20 N ATOM 206 CA GLU A 15 3.323 -6.268 7.455 1.00 33.52 C ATOM 207 C GLU A 15 4.394 -5.411 8.129 1.00 41.25 C ATOM 208 O GLU A 15 4.512 -4.229 7.804 1.00 61.14 O ATOM 209 CB GLU A 15 2.132 -6.553 8.375 1.00 42.15 C ATOM 210 CG GLU A 15 1.035 -5.499 8.289 1.00 3.41 C ATOM 211 CD GLU A 15 0.106 -5.636 9.498 1.00 22.24 C ATOM 212 OE1 GLU A 15 0.521 -5.262 10.621 1.00 75.51 O ATOM 213 OE2 GLU A 15 -0.985 -6.234 9.363 1.00 33.14 O ATOM 0 H GLU A 15 3.394 -8.325 7.522 1.00 14.20 H new ATOM 0 HA GLU A 15 2.984 -5.698 6.590 1.00 33.52 H new ATOM 0 HB2 GLU A 15 1.711 -7.526 8.122 1.00 42.15 H new ATOM 0 HB3 GLU A 15 2.485 -6.617 9.404 1.00 42.15 H new ATOM 0 HG2 GLU A 15 1.474 -4.502 8.264 1.00 3.41 H new ATOM 0 HG3 GLU A 15 0.469 -5.621 7.365 1.00 3.41 H new ATOM 218 N ASP A 16 5.198 -5.999 9.023 1.00 2.40 N ATOM 219 CA ASP A 16 6.216 -5.259 9.771 1.00 21.33 C ATOM 220 C ASP A 16 7.322 -4.706 8.871 1.00 22.10 C ATOM 221 O ASP A 16 7.879 -3.641 9.147 1.00 52.12 O ATOM 222 CB ASP A 16 6.831 -6.101 10.885 1.00 72.51 C ATOM 223 CG ASP A 16 7.520 -5.180 11.893 1.00 20.54 C ATOM 224 OD1 ASP A 16 6.807 -4.618 12.763 1.00 63.22 O ATOM 225 OD2 ASP A 16 8.760 -5.061 11.860 1.00 11.13 O ATOM 0 H ASP A 16 5.161 -6.994 9.246 1.00 2.40 H new ATOM 0 HA ASP A 16 5.693 -4.414 10.219 1.00 21.33 H new ATOM 0 HB2 ASP A 16 6.059 -6.689 11.381 1.00 72.51 H new ATOM 0 HB3 ASP A 16 7.550 -6.806 10.469 1.00 72.51 H new ATOM 229 N ASP A 17 7.597 -5.383 7.749 1.00 71.21 N ATOM 230 CA ASP A 17 8.536 -4.905 6.738 1.00 64.45 C ATOM 231 C ASP A 17 8.085 -3.523 6.275 1.00 4.13 C ATOM 232 O ASP A 17 8.871 -2.575 6.292 1.00 0.23 O ATOM 233 CB ASP A 17 8.630 -5.845 5.528 1.00 41.35 C ATOM 234 CG ASP A 17 9.295 -7.177 5.852 1.00 54.03 C ATOM 235 OD1 ASP A 17 8.563 -8.090 6.291 1.00 32.34 O ATOM 236 OD2 ASP A 17 10.517 -7.304 5.632 1.00 24.54 O ATOM 0 H ASP A 17 7.170 -6.281 7.520 1.00 71.21 H new ATOM 0 HA ASP A 17 9.527 -4.867 7.189 1.00 64.45 H new ATOM 0 HB2 ASP A 17 7.628 -6.031 5.142 1.00 41.35 H new ATOM 0 HB3 ASP A 17 9.190 -5.350 4.735 1.00 41.35 H new ATOM 240 N ILE A 18 6.802 -3.391 5.920 1.00 24.30 N ATOM 241 CA ILE A 18 6.212 -2.126 5.503 1.00 13.41 C ATOM 242 C ILE A 18 6.174 -1.168 6.695 1.00 64.22 C ATOM 243 O ILE A 18 6.529 -0.004 6.534 1.00 13.14 O ATOM 244 CB ILE A 18 4.820 -2.340 4.857 1.00 71.13 C ATOM 245 CG1 ILE A 18 4.985 -3.214 3.591 1.00 53.32 C ATOM 246 CG2 ILE A 18 4.139 -0.996 4.506 1.00 3.02 C ATOM 247 CD1 ILE A 18 3.663 -3.586 2.918 1.00 42.12 C ATOM 0 H ILE A 18 6.143 -4.170 5.916 1.00 24.30 H new ATOM 0 HA ILE A 18 6.831 -1.672 4.729 1.00 13.41 H new ATOM 0 HB ILE A 18 4.174 -2.845 5.575 1.00 71.13 H new ATOM 0 HG12 ILE A 18 5.610 -2.682 2.873 1.00 53.32 H new ATOM 0 HG13 ILE A 18 5.515 -4.128 3.859 1.00 53.32 H new ATOM 0 HG21 ILE A 18 3.165 -1.188 4.055 1.00 3.02 H new ATOM 0 HG22 ILE A 18 4.009 -0.406 5.413 1.00 3.02 H new ATOM 0 HG23 ILE A 18 4.763 -0.445 3.802 1.00 3.02 H new ATOM 0 HD11 ILE A 18 3.862 -4.199 2.039 1.00 42.12 H new ATOM 0 HD12 ILE A 18 3.043 -4.147 3.618 1.00 42.12 H new ATOM 0 HD13 ILE A 18 3.140 -2.678 2.617 1.00 42.12 H new ATOM 258 N ARG A 19 5.752 -1.624 7.878 1.00 40.22 N ATOM 259 CA ARG A 19 5.541 -0.734 9.026 1.00 11.02 C ATOM 260 C ARG A 19 6.824 -0.030 9.460 1.00 52.45 C ATOM 261 O ARG A 19 6.742 1.106 9.930 1.00 51.04 O ATOM 262 CB ARG A 19 4.909 -1.481 10.200 1.00 1.21 C ATOM 263 CG ARG A 19 3.436 -1.790 9.977 1.00 51.05 C ATOM 264 CD ARG A 19 3.025 -3.033 10.763 1.00 74.33 C ATOM 265 NE ARG A 19 3.325 -2.937 12.199 1.00 23.30 N ATOM 266 CZ ARG A 19 2.890 -3.766 13.152 1.00 54.42 C ATOM 267 NH1 ARG A 19 2.016 -4.724 12.886 1.00 1.20 N ATOM 268 NH2 ARG A 19 3.343 -3.640 14.392 1.00 42.14 N ATOM 0 H ARG A 19 5.549 -2.606 8.067 1.00 40.22 H new ATOM 0 HA ARG A 19 4.846 0.038 8.697 1.00 11.02 H new ATOM 0 HB2 ARG A 19 5.450 -2.413 10.366 1.00 1.21 H new ATOM 0 HB3 ARG A 19 5.017 -0.884 11.105 1.00 1.21 H new ATOM 0 HG2 ARG A 19 2.829 -0.939 10.287 1.00 51.05 H new ATOM 0 HG3 ARG A 19 3.248 -1.946 8.915 1.00 51.05 H new ATOM 0 HD2 ARG A 19 1.956 -3.200 10.632 1.00 74.33 H new ATOM 0 HD3 ARG A 19 3.536 -3.902 10.349 1.00 74.33 H new ATOM 0 HE ARG A 19 3.922 -2.165 12.496 1.00 23.30 H new ATOM 0 HH11 ARG A 19 1.660 -4.841 11.937 1.00 1.20 H new ATOM 0 HH12 ARG A 19 1.698 -5.345 13.630 1.00 1.20 H new ATOM 0 HH21 ARG A 19 4.021 -2.912 14.616 1.00 42.14 H new ATOM 0 HH22 ARG A 19 3.013 -4.271 15.122 1.00 42.14 H new ATOM 279 N GLY A 20 7.985 -0.646 9.253 1.00 4.24 N ATOM 280 CA GLY A 20 9.268 -0.005 9.500 1.00 3.10 C ATOM 281 C GLY A 20 9.815 0.725 8.272 1.00 0.42 C ATOM 282 O GLY A 20 10.591 1.668 8.444 1.00 33.13 O ATOM 0 H GLY A 20 8.060 -1.603 8.909 1.00 4.24 H new ATOM 0 HA2 GLY A 20 9.162 0.704 10.321 1.00 3.10 H new ATOM 0 HA3 GLY A 20 9.989 -0.757 9.820 1.00 3.10 H new ATOM 286 N GLN A 21 9.413 0.367 7.046 1.00 61.14 N ATOM 287 CA GLN A 21 9.822 1.082 5.836 1.00 52.42 C ATOM 288 C GLN A 21 9.413 2.551 5.968 1.00 2.04 C ATOM 289 O GLN A 21 10.214 3.459 5.742 1.00 62.14 O ATOM 290 CB GLN A 21 9.165 0.459 4.587 1.00 4.00 C ATOM 291 CG GLN A 21 9.953 -0.679 3.923 1.00 0.42 C ATOM 292 CD GLN A 21 10.698 -0.148 2.706 1.00 51.33 C ATOM 293 OE1 GLN A 21 10.145 -0.049 1.615 1.00 54.45 O ATOM 294 NE2 GLN A 21 11.903 0.352 2.893 1.00 31.34 N ATOM 0 H GLN A 21 8.796 -0.425 6.868 1.00 61.14 H new ATOM 0 HA GLN A 21 10.903 1.007 5.721 1.00 52.42 H new ATOM 0 HB2 GLN A 21 8.181 0.082 4.866 1.00 4.00 H new ATOM 0 HB3 GLN A 21 9.007 1.246 3.850 1.00 4.00 H new ATOM 0 HG2 GLN A 21 10.659 -1.108 4.634 1.00 0.42 H new ATOM 0 HG3 GLN A 21 9.274 -1.478 3.625 1.00 0.42 H new ATOM 0 HE21 GLN A 21 12.356 0.265 3.803 1.00 31.34 H new ATOM 0 HE22 GLN A 21 12.383 0.826 2.128 1.00 31.34 H new ATOM 301 N LEU A 22 8.163 2.801 6.367 1.00 13.13 N ATOM 302 CA LEU A 22 7.634 4.164 6.432 1.00 53.35 C ATOM 303 C LEU A 22 8.320 4.959 7.537 1.00 21.32 C ATOM 304 O LEU A 22 8.514 6.169 7.402 1.00 71.40 O ATOM 305 CB LEU A 22 6.122 4.216 6.676 1.00 53.22 C ATOM 306 CG LEU A 22 5.278 3.083 6.077 1.00 33.41 C ATOM 307 CD1 LEU A 22 4.774 2.258 7.255 1.00 40.23 C ATOM 308 CD2 LEU A 22 4.131 3.638 5.238 1.00 21.10 C ATOM 0 H LEU A 22 7.501 2.079 6.649 1.00 13.13 H new ATOM 0 HA LEU A 22 7.838 4.601 5.455 1.00 53.35 H new ATOM 0 HB2 LEU A 22 5.953 4.230 7.753 1.00 53.22 H new ATOM 0 HB3 LEU A 22 5.748 5.161 6.282 1.00 53.22 H new ATOM 0 HG LEU A 22 5.866 2.464 5.400 1.00 33.41 H new ATOM 0 HD11 LEU A 22 4.164 1.433 6.887 1.00 40.23 H new ATOM 0 HD12 LEU A 22 5.623 1.861 7.811 1.00 40.23 H new ATOM 0 HD13 LEU A 22 4.174 2.889 7.911 1.00 40.23 H new ATOM 0 HD21 LEU A 22 3.550 2.813 4.826 1.00 21.10 H new ATOM 0 HD22 LEU A 22 3.489 4.257 5.864 1.00 21.10 H new ATOM 0 HD23 LEU A 22 4.534 4.240 4.424 1.00 21.10 H new ATOM 319 N GLN A 23 8.708 4.287 8.624 1.00 42.04 N ATOM 320 CA GLN A 23 9.449 4.912 9.704 1.00 12.13 C ATOM 321 C GLN A 23 10.829 5.391 9.250 1.00 24.44 C ATOM 322 O GLN A 23 11.364 6.276 9.917 1.00 61.20 O ATOM 323 CB GLN A 23 9.617 3.965 10.893 1.00 32.33 C ATOM 324 CG GLN A 23 8.361 3.753 11.742 1.00 21.33 C ATOM 325 CD GLN A 23 8.718 3.026 13.041 1.00 14.12 C ATOM 326 OE1 GLN A 23 9.596 2.166 13.080 1.00 62.33 O ATOM 327 NE2 GLN A 23 8.071 3.361 14.142 1.00 0.00 N ATOM 0 H GLN A 23 8.514 3.297 8.773 1.00 42.04 H new ATOM 0 HA GLN A 23 8.861 5.776 10.013 1.00 12.13 H new ATOM 0 HB2 GLN A 23 9.952 2.997 10.521 1.00 32.33 H new ATOM 0 HB3 GLN A 23 10.409 4.351 11.535 1.00 32.33 H new ATOM 0 HG2 GLN A 23 7.900 4.714 11.969 1.00 21.33 H new ATOM 0 HG3 GLN A 23 7.628 3.173 11.182 1.00 21.33 H new ATOM 0 HE21 GLN A 23 7.343 4.075 14.109 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.299 2.906 15.026 1.00 0.00 H new ATOM 334 N SER A 24 11.414 4.899 8.145 1.00 72.42 N ATOM 335 CA SER A 24 12.638 5.501 7.609 1.00 51.44 C ATOM 336 C SER A 24 12.379 6.955 7.163 1.00 41.21 C ATOM 337 O SER A 24 13.313 7.742 7.025 1.00 50.34 O ATOM 338 CB SER A 24 13.188 4.616 6.476 1.00 14.01 C ATOM 339 OG SER A 24 14.514 4.954 6.109 1.00 32.41 O ATOM 0 H SER A 24 11.064 4.100 7.616 1.00 72.42 H new ATOM 0 HA SER A 24 13.400 5.552 8.387 1.00 51.44 H new ATOM 0 HB2 SER A 24 13.157 3.572 6.789 1.00 14.01 H new ATOM 0 HB3 SER A 24 12.540 4.706 5.604 1.00 14.01 H new ATOM 0 HG SER A 24 14.815 4.362 5.388 1.00 32.41 H new ATOM 344 N HIS A 25 11.113 7.347 6.980 1.00 33.15 N ATOM 345 CA HIS A 25 10.664 8.662 6.525 1.00 61.14 C ATOM 346 C HIS A 25 9.786 9.371 7.559 1.00 5.25 C ATOM 347 O HIS A 25 9.327 10.488 7.300 1.00 32.45 O ATOM 348 CB HIS A 25 9.915 8.474 5.207 1.00 22.11 C ATOM 349 CG HIS A 25 10.828 7.963 4.143 1.00 71.14 C ATOM 350 ND1 HIS A 25 11.605 8.698 3.277 1.00 70.11 N ATOM 351 CD2 HIS A 25 11.073 6.644 3.934 1.00 65.54 C ATOM 352 CE1 HIS A 25 12.298 7.820 2.531 1.00 51.40 C ATOM 353 NE2 HIS A 25 11.998 6.555 2.888 1.00 73.53 N ATOM 0 H HIS A 25 10.331 6.716 7.157 1.00 33.15 H new ATOM 0 HA HIS A 25 11.533 9.304 6.383 1.00 61.14 H new ATOM 0 HB2 HIS A 25 9.090 7.776 5.350 1.00 22.11 H new ATOM 0 HB3 HIS A 25 9.480 9.423 4.893 1.00 22.11 H new ATOM 0 HD2 HIS A 25 10.635 5.818 4.474 1.00 65.54 H new ATOM 0 HE1 HIS A 25 12.998 8.090 1.754 1.00 51.40 H new ATOM 0 HE2 HIS A 25 12.372 5.700 2.476 1.00 73.53 H new ATOM 360 N GLY A 26 9.551 8.729 8.708 1.00 4.11 N ATOM 361 CA GLY A 26 8.818 9.273 9.841 1.00 24.41 C ATOM 362 C GLY A 26 7.309 9.080 9.740 1.00 54.21 C ATOM 363 O GLY A 26 6.577 9.619 10.570 1.00 3.15 O ATOM 0 H GLY A 26 9.882 7.779 8.874 1.00 4.11 H new ATOM 0 HA2 GLY A 26 9.176 8.800 10.756 1.00 24.41 H new ATOM 0 HA3 GLY A 26 9.035 10.338 9.926 1.00 24.41 H new ATOM 367 N VAL A 27 6.819 8.341 8.743 1.00 72.53 N ATOM 368 CA VAL A 27 5.385 8.204 8.521 1.00 74.53 C ATOM 369 C VAL A 27 4.887 7.030 9.386 1.00 34.54 C ATOM 370 O VAL A 27 5.682 6.175 9.795 1.00 50.20 O ATOM 371 CB VAL A 27 5.094 7.988 7.020 1.00 1.02 C ATOM 372 CG1 VAL A 27 3.692 8.490 6.692 1.00 73.31 C ATOM 373 CG2 VAL A 27 6.132 8.560 6.032 1.00 54.14 C ATOM 0 H VAL A 27 7.398 7.829 8.078 1.00 72.53 H new ATOM 0 HA VAL A 27 4.855 9.111 8.811 1.00 74.53 H new ATOM 0 HB VAL A 27 5.169 6.911 6.870 1.00 1.02 H new ATOM 0 HG11 VAL A 27 3.489 8.336 5.632 1.00 73.31 H new ATOM 0 HG12 VAL A 27 2.961 7.940 7.285 1.00 73.31 H new ATOM 0 HG13 VAL A 27 3.622 9.553 6.924 1.00 73.31 H new ATOM 0 HG21 VAL A 27 5.818 8.346 5.010 1.00 54.14 H new ATOM 0 HG22 VAL A 27 6.209 9.639 6.169 1.00 54.14 H new ATOM 0 HG23 VAL A 27 7.103 8.100 6.217 1.00 54.14 H new ATOM 383 N GLN A 28 3.582 6.958 9.675 1.00 64.31 N ATOM 384 CA GLN A 28 3.035 5.975 10.618 1.00 61.14 C ATOM 385 C GLN A 28 2.642 4.636 9.967 1.00 15.11 C ATOM 386 O GLN A 28 2.910 3.588 10.548 1.00 61.32 O ATOM 387 CB GLN A 28 1.864 6.608 11.394 1.00 44.14 C ATOM 388 CG GLN A 28 0.614 6.891 10.544 1.00 14.12 C ATOM 389 CD GLN A 28 -0.365 7.799 11.272 1.00 52.21 C ATOM 390 OE1 GLN A 28 -1.263 7.323 11.956 1.00 32.22 O ATOM 391 NE2 GLN A 28 -0.218 9.109 11.132 1.00 65.52 N ATOM 0 H GLN A 28 2.880 7.574 9.265 1.00 64.31 H new ATOM 0 HA GLN A 28 3.832 5.713 11.314 1.00 61.14 H new ATOM 0 HB2 GLN A 28 1.588 5.945 12.214 1.00 44.14 H new ATOM 0 HB3 GLN A 28 2.204 7.543 11.840 1.00 44.14 H new ATOM 0 HG2 GLN A 28 0.911 7.355 9.603 1.00 14.12 H new ATOM 0 HG3 GLN A 28 0.122 5.951 10.295 1.00 14.12 H new ATOM 0 HE21 GLN A 28 0.539 9.479 10.556 1.00 65.52 H new ATOM 0 HE22 GLN A 28 -0.861 9.747 11.600 1.00 65.52 H new ATOM 398 N ALA A 29 2.020 4.692 8.777 1.00 40.44 N ATOM 399 CA ALA A 29 1.017 3.754 8.260 1.00 73.43 C ATOM 400 C ALA A 29 -0.055 3.397 9.301 1.00 53.25 C ATOM 401 O ALA A 29 0.191 2.620 10.218 1.00 21.42 O ATOM 402 CB ALA A 29 1.599 2.478 7.686 1.00 62.53 C ATOM 0 H ALA A 29 2.218 5.440 8.112 1.00 40.44 H new ATOM 0 HA ALA A 29 0.552 4.302 7.441 1.00 73.43 H new ATOM 0 HB1 ALA A 29 0.792 1.840 7.326 1.00 62.53 H new ATOM 0 HB2 ALA A 29 2.265 2.722 6.859 1.00 62.53 H new ATOM 0 HB3 ALA A 29 2.159 1.953 8.460 1.00 62.53 H new ATOM 408 N ARG A 30 -1.256 3.961 9.173 1.00 12.20 N ATOM 409 CA ARG A 30 -2.263 3.848 10.224 1.00 3.14 C ATOM 410 C ARG A 30 -2.950 2.487 10.212 1.00 64.15 C ATOM 411 O ARG A 30 -3.265 1.962 11.280 1.00 2.11 O ATOM 412 CB ARG A 30 -3.249 5.014 10.123 1.00 21.11 C ATOM 413 CG ARG A 30 -4.231 5.064 11.309 1.00 52.34 C ATOM 414 CD ARG A 30 -5.649 4.716 10.850 1.00 35.30 C ATOM 415 NE ARG A 30 -6.574 4.664 11.992 1.00 64.13 N ATOM 416 CZ ARG A 30 -7.581 3.800 12.152 1.00 0.02 C ATOM 417 NH1 ARG A 30 -7.893 2.954 11.178 1.00 35.31 N ATOM 418 NH2 ARG A 30 -8.278 3.782 13.283 1.00 11.03 N ATOM 0 H ARG A 30 -1.553 4.497 8.357 1.00 12.20 H new ATOM 0 HA ARG A 30 -1.768 3.913 11.193 1.00 3.14 H new ATOM 0 HB2 ARG A 30 -2.694 5.951 10.076 1.00 21.11 H new ATOM 0 HB3 ARG A 30 -3.812 4.930 9.193 1.00 21.11 H new ATOM 0 HG2 ARG A 30 -3.912 4.365 12.082 1.00 52.34 H new ATOM 0 HG3 ARG A 30 -4.221 6.059 11.755 1.00 52.34 H new ATOM 0 HD2 ARG A 30 -5.995 5.458 10.131 1.00 35.30 H new ATOM 0 HD3 ARG A 30 -5.644 3.754 10.338 1.00 35.30 H new ATOM 0 HE ARG A 30 -6.434 5.352 12.732 1.00 64.13 H new ATOM 0 HH11 ARG A 30 -7.364 2.963 10.306 1.00 35.31 H new ATOM 0 HH12 ARG A 30 -8.662 2.295 11.302 1.00 35.31 H new ATOM 0 HH21 ARG A 30 -8.046 4.430 14.036 1.00 11.03 H new ATOM 0 HH22 ARG A 30 -9.045 3.120 13.399 1.00 11.03 H new ATOM 429 N GLU A 31 -3.167 1.894 9.039 1.00 20.23 N ATOM 430 CA GLU A 31 -3.682 0.534 8.911 1.00 44.11 C ATOM 431 C GLU A 31 -2.913 -0.128 7.771 1.00 12.40 C ATOM 432 O GLU A 31 -2.587 0.534 6.783 1.00 15.34 O ATOM 433 CB GLU A 31 -5.182 0.557 8.600 1.00 40.34 C ATOM 434 CG GLU A 31 -5.898 -0.734 9.010 1.00 12.03 C ATOM 435 CD GLU A 31 -6.567 -0.670 10.386 1.00 61.53 C ATOM 436 OE1 GLU A 31 -7.648 -0.040 10.500 1.00 51.01 O ATOM 437 OE2 GLU A 31 -6.156 -1.414 11.294 1.00 14.02 O ATOM 0 H GLU A 31 -2.988 2.349 8.144 1.00 20.23 H new ATOM 0 HA GLU A 31 -3.550 -0.019 9.841 1.00 44.11 H new ATOM 0 HB2 GLU A 31 -5.641 1.400 9.116 1.00 40.34 H new ATOM 0 HB3 GLU A 31 -5.324 0.721 7.532 1.00 40.34 H new ATOM 0 HG2 GLU A 31 -6.654 -0.971 8.261 1.00 12.03 H new ATOM 0 HG3 GLU A 31 -5.178 -1.553 9.006 1.00 12.03 H new ATOM 442 N VAL A 32 -2.645 -1.428 7.839 1.00 14.34 N ATOM 443 CA VAL A 32 -1.641 -2.056 6.978 1.00 20.32 C ATOM 444 C VAL A 32 -2.139 -3.422 6.508 1.00 62.32 C ATOM 445 O VAL A 32 -1.834 -4.437 7.116 1.00 15.02 O ATOM 446 CB VAL A 32 -0.270 -2.118 7.705 1.00 13.12 C ATOM 447 CG1 VAL A 32 0.855 -2.413 6.700 1.00 44.11 C ATOM 448 CG2 VAL A 32 0.074 -0.802 8.412 1.00 4.23 C ATOM 0 H VAL A 32 -3.108 -2.071 8.482 1.00 14.34 H new ATOM 0 HA VAL A 32 -1.487 -1.453 6.083 1.00 20.32 H new ATOM 0 HB VAL A 32 -0.353 -2.912 8.447 1.00 13.12 H new ATOM 0 HG11 VAL A 32 1.810 -2.453 7.224 1.00 44.11 H new ATOM 0 HG12 VAL A 32 0.667 -3.370 6.214 1.00 44.11 H new ATOM 0 HG13 VAL A 32 0.887 -1.625 5.948 1.00 44.11 H new ATOM 0 HG21 VAL A 32 1.041 -0.896 8.905 1.00 4.23 H new ATOM 0 HG22 VAL A 32 0.117 0.004 7.680 1.00 4.23 H new ATOM 0 HG23 VAL A 32 -0.691 -0.577 9.155 1.00 4.23 H new ATOM 458 N ARG A 33 -2.882 -3.475 5.400 1.00 21.24 N ATOM 459 CA ARG A 33 -3.339 -4.732 4.801 1.00 1.14 C ATOM 460 C ARG A 33 -2.205 -5.437 4.063 1.00 1.22 C ATOM 461 O ARG A 33 -2.210 -5.474 2.829 1.00 64.44 O ATOM 462 CB ARG A 33 -4.537 -4.467 3.879 1.00 72.43 C ATOM 463 CG ARG A 33 -5.794 -4.038 4.640 1.00 0.44 C ATOM 464 CD ARG A 33 -6.977 -3.874 3.682 1.00 42.15 C ATOM 465 NE ARG A 33 -8.231 -3.790 4.436 1.00 12.12 N ATOM 466 CZ ARG A 33 -9.464 -4.014 3.974 1.00 42.44 C ATOM 467 NH1 ARG A 33 -9.677 -4.384 2.712 1.00 31.20 N ATOM 468 NH2 ARG A 33 -10.492 -3.874 4.799 1.00 55.31 N ATOM 0 H ARG A 33 -3.185 -2.645 4.891 1.00 21.24 H new ATOM 0 HA ARG A 33 -3.663 -5.402 5.598 1.00 1.14 H new ATOM 0 HB2 ARG A 33 -4.271 -3.691 3.161 1.00 72.43 H new ATOM 0 HB3 ARG A 33 -4.755 -5.369 3.307 1.00 72.43 H new ATOM 0 HG2 ARG A 33 -6.036 -4.780 5.401 1.00 0.44 H new ATOM 0 HG3 ARG A 33 -5.608 -3.098 5.160 1.00 0.44 H new ATOM 0 HD2 ARG A 33 -6.845 -2.975 3.080 1.00 42.15 H new ATOM 0 HD3 ARG A 33 -7.015 -4.717 2.992 1.00 42.15 H new ATOM 0 HE ARG A 33 -8.154 -3.533 5.420 1.00 12.12 H new ATOM 0 HH11 ARG A 33 -8.889 -4.502 2.075 1.00 31.20 H new ATOM 0 HH12 ARG A 33 -10.628 -4.549 2.383 1.00 31.20 H new ATOM 0 HH21 ARG A 33 -10.334 -3.599 5.769 1.00 55.31 H new ATOM 0 HH22 ARG A 33 -11.441 -4.041 4.464 1.00 55.31 H new ATOM 479 N LEU A 34 -1.279 -6.049 4.797 1.00 41.11 N ATOM 480 CA LEU A 34 -0.314 -7.013 4.310 1.00 52.04 C ATOM 481 C LEU A 34 -0.385 -8.177 5.292 1.00 75.25 C ATOM 482 O LEU A 34 -0.199 -7.918 6.473 1.00 72.53 O ATOM 483 CB LEU A 34 1.088 -6.398 4.401 1.00 43.11 C ATOM 484 CG LEU A 34 2.168 -7.146 3.602 1.00 32.43 C ATOM 485 CD1 LEU A 34 2.401 -8.592 4.073 1.00 72.11 C ATOM 486 CD2 LEU A 34 1.890 -7.140 2.094 1.00 62.52 C ATOM 0 H LEU A 34 -1.182 -5.872 5.797 1.00 41.11 H new ATOM 0 HA LEU A 34 -0.513 -7.313 3.281 1.00 52.04 H new ATOM 0 HB2 LEU A 34 1.042 -5.368 4.048 1.00 43.11 H new ATOM 0 HB3 LEU A 34 1.388 -6.363 5.448 1.00 43.11 H new ATOM 0 HG LEU A 34 3.082 -6.585 3.799 1.00 32.43 H new ATOM 0 HD11 LEU A 34 3.176 -9.053 3.461 1.00 72.11 H new ATOM 0 HD12 LEU A 34 2.716 -8.588 5.116 1.00 72.11 H new ATOM 0 HD13 LEU A 34 1.476 -9.160 3.975 1.00 72.11 H new ATOM 0 HD21 LEU A 34 2.682 -7.681 1.576 1.00 62.52 H new ATOM 0 HD22 LEU A 34 0.933 -7.623 1.899 1.00 62.52 H new ATOM 0 HD23 LEU A 34 1.858 -6.112 1.734 1.00 62.52 H new ATOM 497 N MET A 35 -0.627 -9.422 4.867 1.00 24.31 N ATOM 498 CA MET A 35 -0.218 -10.619 5.580 1.00 64.54 C ATOM 499 C MET A 35 -0.376 -11.908 4.769 1.00 41.02 C ATOM 500 O MET A 35 0.564 -12.322 4.094 1.00 14.33 O ATOM 501 CB MET A 35 -1.002 -10.680 6.883 1.00 61.54 C ATOM 502 CG MET A 35 -2.476 -10.203 6.830 1.00 73.41 C ATOM 503 SD MET A 35 -3.459 -10.483 8.318 1.00 23.43 S ATOM 504 CE MET A 35 -3.687 -12.256 8.129 1.00 63.52 C ATOM 0 H MET A 35 -1.124 -9.621 3.999 1.00 24.31 H new ATOM 0 HA MET A 35 0.852 -10.550 5.776 1.00 64.54 H new ATOM 0 HB2 MET A 35 -0.990 -11.710 7.240 1.00 61.54 H new ATOM 0 HB3 MET A 35 -0.476 -10.079 7.625 1.00 61.54 H new ATOM 0 HG2 MET A 35 -2.483 -9.135 6.611 1.00 73.41 H new ATOM 0 HG3 MET A 35 -2.968 -10.703 5.995 1.00 73.41 H new ATOM 0 HE1 MET A 35 -3.529 -12.748 9.089 1.00 63.52 H new ATOM 0 HE2 MET A 35 -4.700 -12.457 7.780 1.00 63.52 H new ATOM 0 HE3 MET A 35 -2.970 -12.640 7.403 1.00 63.52 H new ATOM 512 N ARG A 36 -1.558 -12.540 4.799 1.00 33.54 N ATOM 513 CA ARG A 36 -1.852 -13.839 4.186 1.00 43.03 C ATOM 514 C ARG A 36 -3.339 -13.942 3.856 1.00 54.12 C ATOM 515 O ARG A 36 -3.707 -14.136 2.702 1.00 0.13 O ATOM 516 CB ARG A 36 -1.429 -15.001 5.110 1.00 60.52 C ATOM 517 CG ARG A 36 0.080 -15.152 5.383 1.00 35.10 C ATOM 518 CD ARG A 36 0.884 -15.536 4.131 1.00 52.34 C ATOM 519 NE ARG A 36 2.338 -15.410 4.329 1.00 54.05 N ATOM 520 CZ ARG A 36 3.230 -16.385 4.543 1.00 64.54 C ATOM 521 NH1 ARG A 36 2.869 -17.624 4.878 1.00 34.11 N ATOM 522 NH2 ARG A 36 4.520 -16.110 4.404 1.00 41.05 N ATOM 0 H ARG A 36 -2.369 -12.141 5.272 1.00 33.54 H new ATOM 0 HA ARG A 36 -1.276 -13.915 3.263 1.00 43.03 H new ATOM 0 HB2 ARG A 36 -1.937 -14.878 6.066 1.00 60.52 H new ATOM 0 HB3 ARG A 36 -1.791 -15.932 4.674 1.00 60.52 H new ATOM 0 HG2 ARG A 36 0.466 -14.214 5.782 1.00 35.10 H new ATOM 0 HG3 ARG A 36 0.230 -15.911 6.151 1.00 35.10 H new ATOM 0 HD2 ARG A 36 0.647 -16.563 3.853 1.00 52.34 H new ATOM 0 HD3 ARG A 36 0.578 -14.902 3.299 1.00 52.34 H new ATOM 0 HE ARG A 36 2.712 -14.461 4.299 1.00 54.05 H new ATOM 0 HH11 ARG A 36 1.881 -17.857 4.980 1.00 34.11 H new ATOM 0 HH12 ARG A 36 3.581 -18.338 5.032 1.00 34.11 H new ATOM 0 HH21 ARG A 36 4.815 -15.170 4.139 1.00 41.05 H new ATOM 0 HH22 ARG A 36 5.217 -16.838 4.562 1.00 41.05 H new ATOM 533 N ASN A 37 -4.208 -13.747 4.852 1.00 33.12 N ATOM 534 CA ASN A 37 -5.667 -13.669 4.878 1.00 13.23 C ATOM 535 C ASN A 37 -6.452 -14.888 4.390 1.00 63.24 C ATOM 536 O ASN A 37 -7.552 -15.147 4.868 1.00 11.00 O ATOM 537 CB ASN A 37 -6.050 -12.447 4.071 1.00 33.11 C ATOM 538 CG ASN A 37 -7.498 -12.028 4.272 1.00 15.11 C ATOM 539 OD1 ASN A 37 -8.408 -12.689 3.817 1.00 42.35 O ATOM 540 ND2 ASN A 37 -7.761 -10.889 4.866 1.00 62.41 N ATOM 0 H ASN A 37 -3.845 -13.622 5.797 1.00 33.12 H new ATOM 0 HA ASN A 37 -5.948 -13.617 5.930 1.00 13.23 H new ATOM 0 HB2 ASN A 37 -5.397 -11.619 4.346 1.00 33.11 H new ATOM 0 HB3 ASN A 37 -5.880 -12.650 3.014 1.00 33.11 H new ATOM 0 HD21 ASN A 37 -8.725 -10.565 4.943 1.00 62.41 H new ATOM 0 HD22 ASN A 37 -7.002 -10.327 5.251 1.00 62.41 H new ATOM 546 N LYS A 38 -5.924 -15.615 3.413 1.00 55.33 N ATOM 547 CA LYS A 38 -6.641 -16.227 2.304 1.00 43.24 C ATOM 548 C LYS A 38 -7.653 -15.329 1.594 1.00 11.24 C ATOM 549 O LYS A 38 -7.395 -14.952 0.456 1.00 32.24 O ATOM 550 CB LYS A 38 -7.154 -17.661 2.547 1.00 33.13 C ATOM 551 CG LYS A 38 -8.165 -17.941 3.675 1.00 42.23 C ATOM 552 CD LYS A 38 -7.610 -18.396 5.037 1.00 62.14 C ATOM 553 CE LYS A 38 -6.996 -19.806 4.983 1.00 3.04 C ATOM 554 NZ LYS A 38 -7.061 -20.503 6.289 1.00 4.42 N ATOM 0 H LYS A 38 -4.922 -15.804 3.373 1.00 55.33 H new ATOM 0 HA LYS A 38 -5.838 -16.352 1.577 1.00 43.24 H new ATOM 0 HB2 LYS A 38 -7.605 -18.005 1.616 1.00 33.13 H new ATOM 0 HB3 LYS A 38 -6.282 -18.289 2.731 1.00 33.13 H new ATOM 0 HG2 LYS A 38 -8.747 -17.034 3.836 1.00 42.23 H new ATOM 0 HG3 LYS A 38 -8.857 -18.706 3.323 1.00 42.23 H new ATOM 0 HD2 LYS A 38 -6.853 -17.687 5.373 1.00 62.14 H new ATOM 0 HD3 LYS A 38 -8.411 -18.380 5.776 1.00 62.14 H new ATOM 0 HE2 LYS A 38 -7.519 -20.398 4.232 1.00 3.04 H new ATOM 0 HE3 LYS A 38 -5.956 -19.734 4.664 1.00 3.04 H new ATOM 0 HZ1 LYS A 38 -6.635 -21.448 6.200 1.00 4.42 H new ATOM 0 HZ2 LYS A 38 -6.540 -19.954 7.002 1.00 4.42 H new ATOM 0 HZ3 LYS A 38 -8.054 -20.597 6.583 1.00 4.42 H new ATOM 564 N SER A 39 -8.772 -14.990 2.220 1.00 23.24 N ATOM 565 CA SER A 39 -9.968 -14.420 1.604 1.00 20.41 C ATOM 566 C SER A 39 -9.672 -13.215 0.703 1.00 0.11 C ATOM 567 O SER A 39 -9.887 -13.283 -0.506 1.00 74.45 O ATOM 568 CB SER A 39 -10.963 -14.072 2.720 1.00 52.31 C ATOM 569 OG SER A 39 -11.962 -15.056 2.827 1.00 40.02 O ATOM 0 H SER A 39 -8.878 -15.111 3.227 1.00 23.24 H new ATOM 0 HA SER A 39 -10.402 -15.163 0.934 1.00 20.41 H new ATOM 0 HB2 SER A 39 -10.434 -13.981 3.669 1.00 52.31 H new ATOM 0 HB3 SER A 39 -11.421 -13.104 2.516 1.00 52.31 H new ATOM 0 HG SER A 39 -12.584 -14.814 3.545 1.00 40.02 H new ATOM 574 N SER A 40 -9.189 -12.104 1.265 1.00 73.44 N ATOM 575 CA SER A 40 -8.867 -10.911 0.493 1.00 22.40 C ATOM 576 C SER A 40 -7.644 -11.143 -0.395 1.00 43.41 C ATOM 577 O SER A 40 -7.630 -10.668 -1.534 1.00 51.13 O ATOM 578 CB SER A 40 -8.635 -9.725 1.432 1.00 54.21 C ATOM 579 OG SER A 40 -9.804 -8.941 1.553 1.00 14.33 O ATOM 0 H SER A 40 -9.012 -12.011 2.265 1.00 73.44 H new ATOM 0 HA SER A 40 -9.712 -10.685 -0.158 1.00 22.40 H new ATOM 0 HB2 SER A 40 -8.332 -10.088 2.414 1.00 54.21 H new ATOM 0 HB3 SER A 40 -7.818 -9.111 1.053 1.00 54.21 H new ATOM 0 HG SER A 40 -9.633 -8.190 2.159 1.00 14.33 H new ATOM 584 N GLY A 41 -6.626 -11.855 0.102 1.00 44.35 N ATOM 585 CA GLY A 41 -5.392 -12.026 -0.646 1.00 15.33 C ATOM 586 C GLY A 41 -4.557 -10.782 -0.417 1.00 20.33 C ATOM 587 O GLY A 41 -4.213 -10.055 -1.341 1.00 74.23 O ATOM 0 H GLY A 41 -6.639 -12.316 1.012 1.00 44.35 H new ATOM 0 HA2 GLY A 41 -4.858 -12.915 -0.311 1.00 15.33 H new ATOM 0 HA3 GLY A 41 -5.600 -12.160 -1.707 1.00 15.33 H new ATOM 591 N GLN A 42 -4.270 -10.503 0.855 1.00 72.13 N ATOM 592 CA GLN A 42 -3.411 -9.425 1.327 1.00 53.13 C ATOM 593 C GLN A 42 -1.933 -9.804 1.175 1.00 42.23 C ATOM 594 O GLN A 42 -1.116 -9.473 2.032 1.00 75.23 O ATOM 595 CB GLN A 42 -3.773 -9.160 2.796 1.00 74.52 C ATOM 596 CG GLN A 42 -5.250 -8.810 2.987 1.00 60.13 C ATOM 597 CD GLN A 42 -5.548 -8.541 4.452 1.00 75.43 C ATOM 598 OE1 GLN A 42 -5.407 -9.413 5.300 1.00 12.00 O ATOM 599 NE2 GLN A 42 -6.024 -7.358 4.750 1.00 20.20 N ATOM 0 H GLN A 42 -4.653 -11.055 1.622 1.00 72.13 H new ATOM 0 HA GLN A 42 -3.565 -8.522 0.736 1.00 53.13 H new ATOM 0 HB2 GLN A 42 -3.533 -10.042 3.390 1.00 74.52 H new ATOM 0 HB3 GLN A 42 -3.158 -8.344 3.176 1.00 74.52 H new ATOM 0 HG2 GLN A 42 -5.502 -7.932 2.392 1.00 60.13 H new ATOM 0 HG3 GLN A 42 -5.873 -9.629 2.627 1.00 60.13 H new ATOM 0 HE21 GLN A 42 -6.130 -6.652 4.021 1.00 20.20 H new ATOM 0 HE22 GLN A 42 -6.289 -7.142 5.711 1.00 20.20 H new ATOM 606 N SER A 43 -1.620 -10.630 0.179 1.00 53.23 N ATOM 607 CA SER A 43 -0.389 -11.399 0.131 1.00 20.10 C ATOM 608 C SER A 43 -0.067 -11.958 -1.250 1.00 75.33 C ATOM 609 O SER A 43 0.804 -12.808 -1.381 1.00 54.23 O ATOM 610 CB SER A 43 -0.534 -12.536 1.146 1.00 61.42 C ATOM 611 OG SER A 43 -1.564 -13.428 0.748 1.00 64.31 O ATOM 0 H SER A 43 -2.227 -10.783 -0.627 1.00 53.23 H new ATOM 0 HA SER A 43 0.444 -10.738 0.370 1.00 20.10 H new ATOM 0 HB2 SER A 43 0.409 -13.076 1.234 1.00 61.42 H new ATOM 0 HB3 SER A 43 -0.760 -12.126 2.131 1.00 61.42 H new ATOM 0 HG SER A 43 -2.268 -13.439 1.429 1.00 64.31 H new ATOM 616 N ARG A 44 -0.790 -11.548 -2.285 1.00 2.42 N ATOM 617 CA ARG A 44 -0.523 -11.987 -3.653 1.00 51.34 C ATOM 618 C ARG A 44 0.682 -11.268 -4.252 1.00 0.31 C ATOM 619 O ARG A 44 1.083 -11.626 -5.357 1.00 15.32 O ATOM 620 CB ARG A 44 -1.761 -11.778 -4.543 1.00 71.42 C ATOM 621 CG ARG A 44 -2.899 -12.723 -4.144 1.00 60.43 C ATOM 622 CD ARG A 44 -3.988 -12.790 -5.219 1.00 54.13 C ATOM 623 NE ARG A 44 -5.076 -13.674 -4.783 1.00 55.34 N ATOM 624 CZ ARG A 44 -6.076 -14.143 -5.534 1.00 12.33 C ATOM 625 NH1 ARG A 44 -6.134 -13.875 -6.829 1.00 52.22 N ATOM 626 NH2 ARG A 44 -7.019 -14.898 -4.987 1.00 13.50 N ATOM 0 H ARG A 44 -1.576 -10.904 -2.202 1.00 2.42 H new ATOM 0 HA ARG A 44 -0.292 -13.051 -3.612 1.00 51.34 H new ATOM 0 HB2 ARG A 44 -2.099 -10.745 -4.463 1.00 71.42 H new ATOM 0 HB3 ARG A 44 -1.494 -11.947 -5.586 1.00 71.42 H new ATOM 0 HG2 ARG A 44 -2.498 -13.722 -3.971 1.00 60.43 H new ATOM 0 HG3 ARG A 44 -3.337 -12.388 -3.204 1.00 60.43 H new ATOM 0 HD2 ARG A 44 -4.378 -11.791 -5.415 1.00 54.13 H new ATOM 0 HD3 ARG A 44 -3.564 -13.156 -6.154 1.00 54.13 H new ATOM 0 HE ARG A 44 -5.067 -13.960 -3.804 1.00 55.34 H new ATOM 0 HH11 ARG A 44 -5.410 -13.304 -7.265 1.00 52.22 H new ATOM 0 HH12 ARG A 44 -6.903 -14.239 -7.391 1.00 52.22 H new ATOM 0 HH21 ARG A 44 -6.981 -15.121 -3.992 1.00 13.50 H new ATOM 0 HH22 ARG A 44 -7.782 -15.256 -5.561 1.00 13.50 H new ATOM 637 N GLY A 45 1.250 -10.272 -3.572 1.00 44.35 N ATOM 638 CA GLY A 45 2.274 -9.410 -4.135 1.00 71.22 C ATOM 639 C GLY A 45 2.003 -7.927 -3.918 1.00 2.23 C ATOM 640 O GLY A 45 2.731 -7.100 -4.466 1.00 61.23 O ATOM 0 H GLY A 45 1.006 -10.044 -2.608 1.00 44.35 H new ATOM 0 HA2 GLY A 45 3.237 -9.664 -3.692 1.00 71.22 H new ATOM 0 HA3 GLY A 45 2.354 -9.604 -5.205 1.00 71.22 H new ATOM 644 N PHE A 46 0.964 -7.559 -3.157 1.00 12.00 N ATOM 645 CA PHE A 46 0.692 -6.167 -2.827 1.00 64.54 C ATOM 646 C PHE A 46 0.020 -6.012 -1.472 1.00 21.54 C ATOM 647 O PHE A 46 -0.860 -6.782 -1.085 1.00 14.34 O ATOM 648 CB PHE A 46 -0.141 -5.486 -3.923 1.00 62.04 C ATOM 649 CG PHE A 46 -1.418 -6.232 -4.248 1.00 52.21 C ATOM 650 CD1 PHE A 46 -2.600 -5.950 -3.535 1.00 13.13 C ATOM 651 CD2 PHE A 46 -1.394 -7.288 -5.180 1.00 52.14 C ATOM 652 CE1 PHE A 46 -3.735 -6.758 -3.713 1.00 40.15 C ATOM 653 CE2 PHE A 46 -2.532 -8.088 -5.358 1.00 41.34 C ATOM 654 CZ PHE A 46 -3.692 -7.839 -4.607 1.00 64.15 C ATOM 0 H PHE A 46 0.296 -8.219 -2.758 1.00 12.00 H new ATOM 0 HA PHE A 46 1.660 -5.669 -2.768 1.00 64.54 H new ATOM 0 HB2 PHE A 46 -0.390 -4.473 -3.606 1.00 62.04 H new ATOM 0 HB3 PHE A 46 0.461 -5.398 -4.827 1.00 62.04 H new ATOM 0 HD1 PHE A 46 -2.633 -5.114 -2.852 1.00 13.13 H new ATOM 0 HD2 PHE A 46 -0.501 -7.481 -5.756 1.00 52.14 H new ATOM 0 HE1 PHE A 46 -4.640 -6.548 -3.162 1.00 40.15 H new ATOM 0 HE2 PHE A 46 -2.516 -8.897 -6.074 1.00 41.34 H new ATOM 0 HZ PHE A 46 -4.553 -8.481 -4.718 1.00 64.15 H new ATOM 663 N ALA A 47 0.407 -4.950 -0.782 1.00 31.13 N ATOM 664 CA ALA A 47 -0.284 -4.413 0.374 1.00 21.33 C ATOM 665 C ALA A 47 -1.408 -3.462 -0.063 1.00 12.01 C ATOM 666 O ALA A 47 -1.503 -3.123 -1.245 1.00 1.34 O ATOM 667 CB ALA A 47 0.749 -3.680 1.235 1.00 13.41 C ATOM 0 H ALA A 47 1.244 -4.420 -1.024 1.00 31.13 H new ATOM 0 HA ALA A 47 -0.747 -5.216 0.948 1.00 21.33 H new ATOM 0 HB1 ALA A 47 0.259 -3.263 2.115 1.00 13.41 H new ATOM 0 HB2 ALA A 47 1.524 -4.380 1.548 1.00 13.41 H new ATOM 0 HB3 ALA A 47 1.200 -2.875 0.655 1.00 13.41 H new ATOM 673 N PHE A 48 -2.204 -2.985 0.898 1.00 12.10 N ATOM 674 CA PHE A 48 -2.928 -1.719 0.818 1.00 73.12 C ATOM 675 C PHE A 48 -2.604 -0.972 2.106 1.00 60.43 C ATOM 676 O PHE A 48 -3.222 -1.246 3.135 1.00 20.11 O ATOM 677 CB PHE A 48 -4.450 -1.906 0.684 1.00 35.53 C ATOM 678 CG PHE A 48 -4.925 -2.600 -0.567 1.00 41.32 C ATOM 679 CD1 PHE A 48 -4.832 -1.939 -1.801 1.00 23.04 C ATOM 680 CD2 PHE A 48 -5.527 -3.869 -0.495 1.00 23.44 C ATOM 681 CE1 PHE A 48 -5.319 -2.559 -2.960 1.00 11.54 C ATOM 682 CE2 PHE A 48 -5.997 -4.494 -1.663 1.00 20.11 C ATOM 683 CZ PHE A 48 -5.875 -3.842 -2.900 1.00 31.02 C ATOM 0 H PHE A 48 -2.365 -3.483 1.774 1.00 12.10 H new ATOM 0 HA PHE A 48 -2.620 -1.173 -0.074 1.00 73.12 H new ATOM 0 HB2 PHE A 48 -4.803 -2.472 1.546 1.00 35.53 H new ATOM 0 HB3 PHE A 48 -4.922 -0.925 0.732 1.00 35.53 H new ATOM 0 HD1 PHE A 48 -4.387 -0.957 -1.858 1.00 23.04 H new ATOM 0 HD2 PHE A 48 -5.628 -4.364 0.459 1.00 23.44 H new ATOM 0 HE1 PHE A 48 -5.265 -2.042 -3.907 1.00 11.54 H new ATOM 0 HE2 PHE A 48 -6.451 -5.473 -1.609 1.00 20.11 H new ATOM 0 HZ PHE A 48 -6.210 -4.329 -3.804 1.00 31.02 H new ATOM 692 N VAL A 49 -1.603 -0.096 2.097 1.00 61.21 N ATOM 693 CA VAL A 49 -1.220 0.633 3.298 1.00 23.30 C ATOM 694 C VAL A 49 -2.107 1.876 3.409 1.00 55.45 C ATOM 695 O VAL A 49 -2.089 2.693 2.491 1.00 4.32 O ATOM 696 CB VAL A 49 0.298 0.895 3.281 1.00 3.14 C ATOM 697 CG1 VAL A 49 0.852 1.765 2.179 1.00 12.10 C ATOM 698 CG2 VAL A 49 0.760 1.344 4.666 1.00 40.03 C ATOM 0 H VAL A 49 -1.045 0.125 1.272 1.00 61.21 H new ATOM 0 HA VAL A 49 -1.391 0.059 4.209 1.00 23.30 H new ATOM 0 HB VAL A 49 0.733 -0.070 3.022 1.00 3.14 H new ATOM 0 HG11 VAL A 49 1.931 1.859 2.298 1.00 12.10 H new ATOM 0 HG12 VAL A 49 0.631 1.312 1.212 1.00 12.10 H new ATOM 0 HG13 VAL A 49 0.394 2.753 2.230 1.00 12.10 H new ATOM 0 HG21 VAL A 49 1.834 1.528 4.649 1.00 40.03 H new ATOM 0 HG22 VAL A 49 0.239 2.260 4.944 1.00 40.03 H new ATOM 0 HG23 VAL A 49 0.537 0.564 5.394 1.00 40.03 H new ATOM 708 N GLU A 50 -2.920 2.017 4.462 1.00 73.11 N ATOM 709 CA GLU A 50 -3.810 3.151 4.660 1.00 14.03 C ATOM 710 C GLU A 50 -3.131 4.187 5.559 1.00 52.45 C ATOM 711 O GLU A 50 -2.399 3.852 6.495 1.00 2.10 O ATOM 712 CB GLU A 50 -5.167 2.726 5.263 1.00 73.51 C ATOM 713 CG GLU A 50 -6.295 3.491 4.558 1.00 60.43 C ATOM 714 CD GLU A 50 -7.538 3.780 5.399 1.00 0.30 C ATOM 715 OE1 GLU A 50 -8.006 2.914 6.167 1.00 72.42 O ATOM 716 OE2 GLU A 50 -8.126 4.869 5.191 1.00 43.11 O ATOM 0 H GLU A 50 -2.974 1.328 5.212 1.00 73.11 H new ATOM 0 HA GLU A 50 -4.015 3.589 3.683 1.00 14.03 H new ATOM 0 HB2 GLU A 50 -5.311 1.652 5.145 1.00 73.51 H new ATOM 0 HB3 GLU A 50 -5.184 2.934 6.333 1.00 73.51 H new ATOM 0 HG2 GLU A 50 -5.895 4.439 4.200 1.00 60.43 H new ATOM 0 HG3 GLU A 50 -6.599 2.921 3.680 1.00 60.43 H new ATOM 721 N PHE A 51 -3.378 5.459 5.262 1.00 5.20 N ATOM 722 CA PHE A 51 -2.707 6.612 5.841 1.00 34.42 C ATOM 723 C PHE A 51 -3.759 7.512 6.482 1.00 33.54 C ATOM 724 O PHE A 51 -4.818 7.725 5.892 1.00 33.31 O ATOM 725 CB PHE A 51 -1.981 7.367 4.718 1.00 25.45 C ATOM 726 CG PHE A 51 -0.625 6.823 4.304 1.00 12.04 C ATOM 727 CD1 PHE A 51 -0.400 5.467 3.991 1.00 2.31 C ATOM 728 CD2 PHE A 51 0.433 7.730 4.183 1.00 12.22 C ATOM 729 CE1 PHE A 51 0.890 5.029 3.648 1.00 24.30 C ATOM 730 CE2 PHE A 51 1.723 7.287 3.853 1.00 62.11 C ATOM 731 CZ PHE A 51 1.958 5.932 3.595 1.00 51.21 C ATOM 0 H PHE A 51 -4.086 5.724 4.577 1.00 5.20 H new ATOM 0 HA PHE A 51 -1.984 6.304 6.597 1.00 34.42 H new ATOM 0 HB2 PHE A 51 -2.627 7.377 3.840 1.00 25.45 H new ATOM 0 HB3 PHE A 51 -1.852 8.403 5.031 1.00 25.45 H new ATOM 0 HD1 PHE A 51 -1.220 4.764 4.015 1.00 2.31 H new ATOM 0 HD2 PHE A 51 0.255 8.783 4.345 1.00 12.22 H new ATOM 0 HE1 PHE A 51 1.059 3.986 3.423 1.00 24.30 H new ATOM 0 HE2 PHE A 51 2.537 7.994 3.798 1.00 62.11 H new ATOM 0 HZ PHE A 51 2.953 5.586 3.357 1.00 51.21 H new ATOM 740 N SER A 52 -3.472 8.084 7.651 1.00 1.43 N ATOM 741 CA SER A 52 -4.380 9.026 8.295 1.00 73.34 C ATOM 742 C SER A 52 -4.515 10.324 7.504 1.00 10.32 C ATOM 743 O SER A 52 -5.555 10.978 7.606 1.00 32.53 O ATOM 744 CB SER A 52 -3.894 9.354 9.706 1.00 62.40 C ATOM 745 OG SER A 52 -3.849 8.176 10.460 1.00 33.44 O ATOM 0 H SER A 52 -2.613 7.909 8.172 1.00 1.43 H new ATOM 0 HA SER A 52 -5.357 8.545 8.337 1.00 73.34 H new ATOM 0 HB2 SER A 52 -2.906 9.813 9.666 1.00 62.40 H new ATOM 0 HB3 SER A 52 -4.562 10.076 10.176 1.00 62.40 H new ATOM 0 HG SER A 52 -2.979 8.106 10.905 1.00 33.44 H new ATOM 750 N HIS A 53 -3.494 10.710 6.733 1.00 23.44 N ATOM 751 CA HIS A 53 -3.443 11.979 6.026 1.00 70.54 C ATOM 752 C HIS A 53 -2.974 11.720 4.606 1.00 52.12 C ATOM 753 O HIS A 53 -1.875 11.211 4.402 1.00 50.04 O ATOM 754 CB HIS A 53 -2.494 12.949 6.747 1.00 45.42 C ATOM 755 CG HIS A 53 -2.897 13.180 8.178 1.00 23.14 C ATOM 756 ND1 HIS A 53 -3.841 14.080 8.616 1.00 63.10 N ATOM 757 CD2 HIS A 53 -2.476 12.454 9.260 1.00 2.04 C ATOM 758 CE1 HIS A 53 -4.000 13.890 9.933 1.00 62.52 C ATOM 759 NE2 HIS A 53 -3.187 12.913 10.373 1.00 45.21 N ATOM 0 H HIS A 53 -2.666 10.132 6.584 1.00 23.44 H new ATOM 0 HA HIS A 53 -4.432 12.437 6.004 1.00 70.54 H new ATOM 0 HB2 HIS A 53 -1.479 12.552 6.717 1.00 45.42 H new ATOM 0 HB3 HIS A 53 -2.479 13.901 6.217 1.00 45.42 H new ATOM 0 HD2 HIS A 53 -1.732 11.671 9.255 1.00 2.04 H new ATOM 0 HE1 HIS A 53 -4.686 14.445 10.555 1.00 62.52 H new ATOM 0 HE2 HIS A 53 -3.105 12.573 11.331 1.00 45.21 H new ATOM 766 N LEU A 54 -3.763 12.122 3.610 1.00 71.40 N ATOM 767 CA LEU A 54 -3.348 12.038 2.208 1.00 63.14 C ATOM 768 C LEU A 54 -2.062 12.830 1.918 1.00 10.05 C ATOM 769 O LEU A 54 -1.306 12.450 1.031 1.00 31.45 O ATOM 770 CB LEU A 54 -4.498 12.466 1.288 1.00 63.23 C ATOM 771 CG LEU A 54 -4.902 13.947 1.424 1.00 4.35 C ATOM 772 CD1 LEU A 54 -4.538 14.727 0.158 1.00 34.22 C ATOM 773 CD2 LEU A 54 -6.390 14.075 1.745 1.00 32.54 C ATOM 0 H LEU A 54 -4.696 12.510 3.748 1.00 71.40 H new ATOM 0 HA LEU A 54 -3.107 10.995 2.001 1.00 63.14 H new ATOM 0 HB2 LEU A 54 -4.212 12.273 0.254 1.00 63.23 H new ATOM 0 HB3 LEU A 54 -5.368 11.844 1.499 1.00 63.23 H new ATOM 0 HG LEU A 54 -4.344 14.380 2.254 1.00 4.35 H new ATOM 0 HD11 LEU A 54 -4.832 15.770 0.276 1.00 34.22 H new ATOM 0 HD12 LEU A 54 -3.462 14.670 -0.008 1.00 34.22 H new ATOM 0 HD13 LEU A 54 -5.060 14.297 -0.697 1.00 34.22 H new ATOM 0 HD21 LEU A 54 -6.653 15.129 1.837 1.00 32.54 H new ATOM 0 HD22 LEU A 54 -6.975 13.623 0.944 1.00 32.54 H new ATOM 0 HD23 LEU A 54 -6.605 13.564 2.684 1.00 32.54 H new ATOM 784 N GLN A 55 -1.757 13.875 2.702 1.00 3.04 N ATOM 785 CA GLN A 55 -0.475 14.581 2.634 1.00 50.14 C ATOM 786 C GLN A 55 0.683 13.598 2.817 1.00 71.12 C ATOM 787 O GLN A 55 1.708 13.711 2.148 1.00 5.13 O ATOM 788 CB GLN A 55 -0.447 15.705 3.693 1.00 52.22 C ATOM 789 CG GLN A 55 0.923 16.384 3.913 1.00 62.44 C ATOM 790 CD GLN A 55 1.682 15.784 5.100 1.00 30.53 C ATOM 791 OE1 GLN A 55 1.469 16.185 6.240 1.00 53.24 O ATOM 792 NE2 GLN A 55 2.540 14.801 4.882 1.00 10.42 N ATOM 0 H GLN A 55 -2.396 14.253 3.402 1.00 3.04 H new ATOM 0 HA GLN A 55 -0.360 15.039 1.651 1.00 50.14 H new ATOM 0 HB2 GLN A 55 -1.168 16.469 3.404 1.00 52.22 H new ATOM 0 HB3 GLN A 55 -0.784 15.292 4.644 1.00 52.22 H new ATOM 0 HG2 GLN A 55 1.526 16.283 3.010 1.00 62.44 H new ATOM 0 HG3 GLN A 55 0.775 17.451 4.080 1.00 62.44 H new ATOM 0 HE21 GLN A 55 2.710 14.474 3.931 1.00 10.42 H new ATOM 0 HE22 GLN A 55 3.031 14.370 5.665 1.00 10.42 H new ATOM 799 N ASP A 56 0.546 12.642 3.735 1.00 64.24 N ATOM 800 CA ASP A 56 1.609 11.692 4.027 1.00 72.50 C ATOM 801 C ASP A 56 1.721 10.677 2.889 1.00 53.43 C ATOM 802 O ASP A 56 2.801 10.128 2.685 1.00 22.51 O ATOM 803 CB ASP A 56 1.354 10.961 5.356 1.00 64.22 C ATOM 804 CG ASP A 56 1.760 11.709 6.625 1.00 52.30 C ATOM 805 OD1 ASP A 56 2.732 12.500 6.608 1.00 73.22 O ATOM 806 OD2 ASP A 56 1.128 11.421 7.673 1.00 1.03 O ATOM 0 H ASP A 56 -0.299 12.508 4.291 1.00 64.24 H new ATOM 0 HA ASP A 56 2.544 12.245 4.119 1.00 72.50 H new ATOM 0 HB2 ASP A 56 0.291 10.728 5.421 1.00 64.22 H new ATOM 0 HB3 ASP A 56 1.888 10.011 5.333 1.00 64.22 H new ATOM 810 N ALA A 57 0.641 10.431 2.129 1.00 21.44 N ATOM 811 CA ALA A 57 0.626 9.403 1.099 1.00 50.22 C ATOM 812 C ALA A 57 1.583 9.845 -0.001 1.00 24.32 C ATOM 813 O ALA A 57 2.536 9.142 -0.331 1.00 34.53 O ATOM 814 CB ALA A 57 -0.778 9.132 0.573 1.00 11.15 C ATOM 0 H ALA A 57 -0.238 10.942 2.218 1.00 21.44 H new ATOM 0 HA ALA A 57 0.955 8.452 1.517 1.00 50.22 H new ATOM 0 HB1 ALA A 57 -0.736 8.358 -0.193 1.00 11.15 H new ATOM 0 HB2 ALA A 57 -1.415 8.798 1.392 1.00 11.15 H new ATOM 0 HB3 ALA A 57 -1.188 10.046 0.143 1.00 11.15 H new ATOM 820 N THR A 58 1.377 11.057 -0.513 1.00 65.12 N ATOM 821 CA THR A 58 2.229 11.675 -1.504 1.00 25.42 C ATOM 822 C THR A 58 3.651 11.866 -0.958 1.00 30.32 C ATOM 823 O THR A 58 4.627 11.701 -1.692 1.00 62.11 O ATOM 824 CB THR A 58 1.579 13.009 -1.881 1.00 2.41 C ATOM 825 OG1 THR A 58 0.186 12.856 -2.112 1.00 31.53 O ATOM 826 CG2 THR A 58 2.209 13.587 -3.131 1.00 61.24 C ATOM 0 H THR A 58 0.590 11.644 -0.237 1.00 65.12 H new ATOM 0 HA THR A 58 2.326 11.044 -2.387 1.00 25.42 H new ATOM 0 HB THR A 58 1.738 13.685 -1.041 1.00 2.41 H new ATOM 0 HG1 THR A 58 0.044 12.217 -2.842 1.00 31.53 H new ATOM 0 HG21 THR A 58 1.728 14.534 -3.376 1.00 61.24 H new ATOM 0 HG22 THR A 58 3.272 13.753 -2.959 1.00 61.24 H new ATOM 0 HG23 THR A 58 2.080 12.890 -3.959 1.00 61.24 H new ATOM 834 N ARG A 59 3.804 12.195 0.331 1.00 70.11 N ATOM 835 CA ARG A 59 5.123 12.324 0.942 1.00 4.04 C ATOM 836 C ARG A 59 5.885 11.001 0.854 1.00 22.13 C ATOM 837 O ARG A 59 7.084 11.017 0.579 1.00 1.34 O ATOM 838 CB ARG A 59 4.977 12.845 2.371 1.00 72.20 C ATOM 839 CG ARG A 59 6.326 13.253 2.977 1.00 65.53 C ATOM 840 CD ARG A 59 6.087 13.950 4.318 1.00 44.44 C ATOM 841 NE ARG A 59 7.120 13.601 5.301 1.00 14.03 N ATOM 842 CZ ARG A 59 7.011 13.681 6.630 1.00 10.12 C ATOM 843 NH1 ARG A 59 6.010 14.345 7.204 1.00 10.02 N ATOM 844 NH2 ARG A 59 7.903 13.070 7.398 1.00 72.22 N ATOM 0 H ARG A 59 3.027 12.376 0.967 1.00 70.11 H new ATOM 0 HA ARG A 59 5.720 13.054 0.395 1.00 4.04 H new ATOM 0 HB2 ARG A 59 4.303 13.702 2.377 1.00 72.20 H new ATOM 0 HB3 ARG A 59 4.519 12.075 2.992 1.00 72.20 H new ATOM 0 HG2 ARG A 59 6.955 12.374 3.118 1.00 65.53 H new ATOM 0 HG3 ARG A 59 6.857 13.919 2.297 1.00 65.53 H new ATOM 0 HD2 ARG A 59 6.075 15.030 4.170 1.00 44.44 H new ATOM 0 HD3 ARG A 59 5.107 13.670 4.704 1.00 44.44 H new ATOM 0 HE ARG A 59 8.009 13.264 4.933 1.00 14.03 H new ATOM 0 HH11 ARG A 59 5.306 14.806 6.627 1.00 10.02 H new ATOM 0 HH12 ARG A 59 5.947 14.393 8.221 1.00 10.02 H new ATOM 0 HH21 ARG A 59 8.666 12.543 6.973 1.00 72.22 H new ATOM 0 HH22 ARG A 59 7.826 13.127 8.413 1.00 72.22 H new ATOM 855 N TRP A 60 5.214 9.863 1.059 1.00 54.04 N ATOM 856 CA TRP A 60 5.832 8.553 0.903 1.00 2.23 C ATOM 857 C TRP A 60 6.171 8.297 -0.570 1.00 1.25 C ATOM 858 O TRP A 60 7.289 7.891 -0.878 1.00 33.34 O ATOM 859 CB TRP A 60 4.947 7.450 1.529 1.00 44.33 C ATOM 860 CG TRP A 60 5.665 6.199 1.964 1.00 64.42 C ATOM 861 CD1 TRP A 60 6.833 6.182 2.642 1.00 64.20 C ATOM 862 CD2 TRP A 60 5.297 4.786 1.812 1.00 71.44 C ATOM 863 NE1 TRP A 60 7.255 4.884 2.823 1.00 14.24 N ATOM 864 CE2 TRP A 60 6.337 3.973 2.362 1.00 75.11 C ATOM 865 CE3 TRP A 60 4.180 4.101 1.287 1.00 22.44 C ATOM 866 CZ2 TRP A 60 6.288 2.568 2.369 1.00 11.00 C ATOM 867 CZ3 TRP A 60 4.097 2.695 1.326 1.00 31.40 C ATOM 868 CH2 TRP A 60 5.140 1.929 1.871 1.00 20.41 C ATOM 0 H TRP A 60 4.233 9.829 1.336 1.00 54.04 H new ATOM 0 HA TRP A 60 6.775 8.530 1.449 1.00 2.23 H new ATOM 0 HB2 TRP A 60 4.433 7.870 2.394 1.00 44.33 H new ATOM 0 HB3 TRP A 60 4.180 7.173 0.806 1.00 44.33 H new ATOM 0 HD1 TRP A 60 7.359 7.058 2.991 1.00 64.20 H new ATOM 0 HE1 TRP A 60 8.146 4.629 3.250 1.00 14.24 H new ATOM 0 HE3 TRP A 60 3.372 4.666 0.846 1.00 22.44 H new ATOM 0 HZ2 TRP A 60 7.117 1.991 2.750 1.00 11.00 H new ATOM 0 HZ3 TRP A 60 3.221 2.201 0.932 1.00 31.40 H new ATOM 0 HH2 TRP A 60 5.060 0.853 1.907 1.00 20.41 H new ATOM 878 N MET A 61 5.237 8.553 -1.488 1.00 34.12 N ATOM 879 CA MET A 61 5.374 8.317 -2.919 1.00 63.22 C ATOM 880 C MET A 61 6.584 9.031 -3.520 1.00 54.41 C ATOM 881 O MET A 61 7.490 8.376 -4.044 1.00 1.11 O ATOM 882 CB MET A 61 4.069 8.750 -3.601 1.00 14.44 C ATOM 883 CG MET A 61 2.870 7.895 -3.166 1.00 64.12 C ATOM 884 SD MET A 61 2.584 6.380 -4.107 1.00 10.22 S ATOM 885 CE MET A 61 2.053 7.131 -5.659 1.00 4.34 C ATOM 0 H MET A 61 4.329 8.946 -1.240 1.00 34.12 H new ATOM 0 HA MET A 61 5.552 7.255 -3.088 1.00 63.22 H new ATOM 0 HB2 MET A 61 3.870 9.796 -3.368 1.00 14.44 H new ATOM 0 HB3 MET A 61 4.187 8.682 -4.682 1.00 14.44 H new ATOM 0 HG2 MET A 61 3.003 7.627 -2.118 1.00 64.12 H new ATOM 0 HG3 MET A 61 1.972 8.510 -3.226 1.00 64.12 H new ATOM 0 HE1 MET A 61 1.122 6.669 -5.987 1.00 4.34 H new ATOM 0 HE2 MET A 61 1.895 8.199 -5.511 1.00 4.34 H new ATOM 0 HE3 MET A 61 2.821 6.980 -6.418 1.00 4.34 H new ATOM 893 N GLU A 62 6.589 10.363 -3.496 1.00 1.42 N ATOM 894 CA GLU A 62 7.508 11.151 -4.316 1.00 70.23 C ATOM 895 C GLU A 62 8.960 10.949 -3.879 1.00 51.11 C ATOM 896 O GLU A 62 9.858 10.940 -4.714 1.00 44.33 O ATOM 897 CB GLU A 62 7.131 12.634 -4.250 1.00 13.22 C ATOM 898 CG GLU A 62 5.729 12.893 -4.810 1.00 25.45 C ATOM 899 CD GLU A 62 5.463 14.390 -4.912 1.00 71.13 C ATOM 900 OE1 GLU A 62 5.247 15.047 -3.869 1.00 42.23 O ATOM 901 OE2 GLU A 62 5.483 14.912 -6.048 1.00 65.34 O ATOM 0 H GLU A 62 5.964 10.921 -2.915 1.00 1.42 H new ATOM 0 HA GLU A 62 7.422 10.807 -5.347 1.00 70.23 H new ATOM 0 HB2 GLU A 62 7.177 12.975 -3.216 1.00 13.22 H new ATOM 0 HB3 GLU A 62 7.860 13.219 -4.811 1.00 13.22 H new ATOM 0 HG2 GLU A 62 5.633 12.433 -5.793 1.00 25.45 H new ATOM 0 HG3 GLU A 62 4.982 12.428 -4.166 1.00 25.45 H new ATOM 906 N ALA A 63 9.168 10.709 -2.583 1.00 24.15 N ATOM 907 CA ALA A 63 10.468 10.479 -1.957 1.00 10.41 C ATOM 908 C ALA A 63 11.099 9.153 -2.374 1.00 3.44 C ATOM 909 O ALA A 63 12.271 8.913 -2.086 1.00 14.35 O ATOM 910 CB ALA A 63 10.269 10.488 -0.441 1.00 70.43 C ATOM 0 H ALA A 63 8.400 10.668 -1.913 1.00 24.15 H new ATOM 0 HA ALA A 63 11.147 11.268 -2.281 1.00 10.41 H new ATOM 0 HB1 ALA A 63 11.226 10.318 0.053 1.00 70.43 H new ATOM 0 HB2 ALA A 63 9.868 11.453 -0.132 1.00 70.43 H new ATOM 0 HB3 ALA A 63 9.571 9.699 -0.161 1.00 70.43 H new ATOM 916 N ASN A 64 10.316 8.287 -3.011 1.00 71.44 N ATOM 917 CA ASN A 64 10.779 7.030 -3.571 1.00 51.10 C ATOM 918 C ASN A 64 10.811 7.065 -5.089 1.00 33.21 C ATOM 919 O ASN A 64 11.148 6.057 -5.706 1.00 45.11 O ATOM 920 CB ASN A 64 9.850 5.911 -3.108 1.00 43.04 C ATOM 921 CG ASN A 64 10.095 5.590 -1.656 1.00 1.01 C ATOM 922 OD1 ASN A 64 11.155 5.099 -1.282 1.00 42.22 O ATOM 923 ND2 ASN A 64 9.111 5.825 -0.817 1.00 53.12 N ATOM 0 H ASN A 64 9.319 8.448 -3.153 1.00 71.44 H new ATOM 0 HA ASN A 64 11.797 6.855 -3.222 1.00 51.10 H new ATOM 0 HB2 ASN A 64 8.812 6.210 -3.250 1.00 43.04 H new ATOM 0 HB3 ASN A 64 10.012 5.021 -3.716 1.00 43.04 H new ATOM 0 HD21 ASN A 64 9.219 5.598 0.172 1.00 53.12 H new ATOM 0 HD22 ASN A 64 8.240 6.234 -1.155 1.00 53.12 H new ATOM 929 N GLN A 65 10.381 8.169 -5.713 1.00 1.25 N ATOM 930 CA GLN A 65 10.218 8.267 -7.165 1.00 70.34 C ATOM 931 C GLN A 65 9.315 7.123 -7.649 1.00 24.41 C ATOM 932 O GLN A 65 9.515 6.529 -8.714 1.00 30.24 O ATOM 933 CB GLN A 65 11.589 8.288 -7.868 1.00 64.50 C ATOM 934 CG GLN A 65 12.539 9.389 -7.378 1.00 24.11 C ATOM 935 CD GLN A 65 13.956 9.115 -7.869 1.00 63.21 C ATOM 936 OE1 GLN A 65 14.198 8.905 -9.057 1.00 22.45 O ATOM 937 NE2 GLN A 65 14.915 9.075 -6.965 1.00 30.53 N ATOM 0 H GLN A 65 10.135 9.026 -5.218 1.00 1.25 H new ATOM 0 HA GLN A 65 9.731 9.207 -7.424 1.00 70.34 H new ATOM 0 HB2 GLN A 65 12.071 7.321 -7.726 1.00 64.50 H new ATOM 0 HB3 GLN A 65 11.432 8.412 -8.939 1.00 64.50 H new ATOM 0 HG2 GLN A 65 12.201 10.360 -7.741 1.00 24.11 H new ATOM 0 HG3 GLN A 65 12.525 9.434 -6.289 1.00 24.11 H new ATOM 0 HE21 GLN A 65 14.699 9.251 -5.984 1.00 30.53 H new ATOM 0 HE22 GLN A 65 15.873 8.868 -7.247 1.00 30.53 H new ATOM 944 N HIS A 66 8.335 6.790 -6.808 1.00 32.52 N ATOM 945 CA HIS A 66 7.396 5.699 -6.980 1.00 51.00 C ATOM 946 C HIS A 66 8.042 4.305 -7.128 1.00 43.44 C ATOM 947 O HIS A 66 7.421 3.430 -7.739 1.00 63.15 O ATOM 948 CB HIS A 66 6.381 6.016 -8.095 1.00 2.54 C ATOM 949 CG HIS A 66 5.689 7.354 -7.997 1.00 23.32 C ATOM 950 ND1 HIS A 66 5.038 7.977 -9.033 1.00 41.52 N ATOM 951 CD2 HIS A 66 5.595 8.172 -6.902 1.00 34.22 C ATOM 952 CE1 HIS A 66 4.567 9.145 -8.572 1.00 11.32 C ATOM 953 NE2 HIS A 66 4.869 9.302 -7.275 1.00 1.31 N ATOM 0 H HIS A 66 8.173 7.307 -5.944 1.00 32.52 H new ATOM 0 HA HIS A 66 6.849 5.625 -6.040 1.00 51.00 H new ATOM 0 HB2 HIS A 66 6.897 5.965 -9.054 1.00 2.54 H new ATOM 0 HB3 HIS A 66 5.621 5.235 -8.100 1.00 2.54 H new ATOM 0 HD2 HIS A 66 6.010 7.976 -5.924 1.00 34.22 H new ATOM 0 HE1 HIS A 66 4.019 9.862 -9.165 1.00 11.32 H new ATOM 0 HE2 HIS A 66 4.618 10.091 -6.680 1.00 1.31 H new ATOM 960 N SER A 67 9.237 4.050 -6.581 1.00 24.32 N ATOM 961 CA SER A 67 9.787 2.698 -6.489 1.00 32.21 C ATOM 962 C SER A 67 10.306 2.410 -5.077 1.00 34.44 C ATOM 963 O SER A 67 11.216 3.078 -4.585 1.00 3.32 O ATOM 964 CB SER A 67 10.911 2.481 -7.503 1.00 0.21 C ATOM 965 OG SER A 67 10.587 2.990 -8.785 1.00 35.23 O ATOM 0 H SER A 67 9.844 4.772 -6.193 1.00 24.32 H new ATOM 0 HA SER A 67 8.976 2.007 -6.717 1.00 32.21 H new ATOM 0 HB2 SER A 67 11.820 2.963 -7.143 1.00 0.21 H new ATOM 0 HB3 SER A 67 11.125 1.415 -7.582 1.00 0.21 H new ATOM 0 HG SER A 67 11.334 2.830 -9.399 1.00 35.23 H new ATOM 970 N LEU A 68 9.739 1.402 -4.417 1.00 13.03 N ATOM 971 CA LEU A 68 10.321 0.841 -3.199 1.00 20.42 C ATOM 972 C LEU A 68 11.239 -0.319 -3.552 1.00 72.14 C ATOM 973 O LEU A 68 11.284 -0.775 -4.699 1.00 72.41 O ATOM 974 CB LEU A 68 9.261 0.341 -2.207 1.00 61.44 C ATOM 975 CG LEU A 68 8.312 1.391 -1.624 1.00 60.53 C ATOM 976 CD1 LEU A 68 7.394 0.751 -0.584 1.00 32.13 C ATOM 977 CD2 LEU A 68 9.096 2.511 -0.958 1.00 40.45 C ATOM 0 H LEU A 68 8.870 0.954 -4.708 1.00 13.03 H new ATOM 0 HA LEU A 68 10.876 1.647 -2.719 1.00 20.42 H new ATOM 0 HB2 LEU A 68 8.661 -0.420 -2.706 1.00 61.44 H new ATOM 0 HB3 LEU A 68 9.774 -0.150 -1.380 1.00 61.44 H new ATOM 0 HG LEU A 68 7.719 1.800 -2.442 1.00 60.53 H new ATOM 0 HD11 LEU A 68 6.723 1.507 -0.176 1.00 32.13 H new ATOM 0 HD12 LEU A 68 6.808 -0.039 -1.053 1.00 32.13 H new ATOM 0 HD13 LEU A 68 7.995 0.327 0.220 1.00 32.13 H new ATOM 0 HD21 LEU A 68 8.403 3.247 -0.550 1.00 40.45 H new ATOM 0 HD22 LEU A 68 9.705 2.100 -0.153 1.00 40.45 H new ATOM 0 HD23 LEU A 68 9.743 2.990 -1.693 1.00 40.45 H new ATOM 988 N ASN A 69 11.920 -0.833 -2.531 1.00 15.32 N ATOM 989 CA ASN A 69 12.773 -1.994 -2.608 1.00 15.13 C ATOM 990 C ASN A 69 12.611 -2.798 -1.333 1.00 41.34 C ATOM 991 O ASN A 69 13.049 -2.347 -0.276 1.00 73.32 O ATOM 992 CB ASN A 69 14.210 -1.539 -2.780 1.00 72.42 C ATOM 993 CG ASN A 69 15.101 -2.756 -2.974 1.00 15.14 C ATOM 994 OD1 ASN A 69 15.501 -3.403 -2.017 1.00 23.12 O ATOM 995 ND2 ASN A 69 15.391 -3.126 -4.205 1.00 0.20 N ATOM 0 H ASN A 69 11.885 -0.429 -1.595 1.00 15.32 H new ATOM 0 HA ASN A 69 12.502 -2.619 -3.459 1.00 15.13 H new ATOM 0 HB2 ASN A 69 14.293 -0.873 -3.639 1.00 72.42 H new ATOM 0 HB3 ASN A 69 14.532 -0.974 -1.906 1.00 72.42 H new ATOM 0 HD21 ASN A 69 15.955 -3.960 -4.367 1.00 0.20 H new ATOM 0 HD22 ASN A 69 15.052 -2.578 -4.996 1.00 0.20 H new ATOM 1001 N ILE A 70 11.957 -3.951 -1.415 1.00 72.24 N ATOM 1002 CA ILE A 70 11.735 -4.849 -0.302 1.00 31.14 C ATOM 1003 C ILE A 70 12.348 -6.181 -0.691 1.00 14.11 C ATOM 1004 O ILE A 70 12.002 -6.745 -1.732 1.00 23.12 O ATOM 1005 CB ILE A 70 10.231 -4.920 0.009 1.00 31.24 C ATOM 1006 CG1 ILE A 70 9.741 -3.540 0.491 1.00 73.21 C ATOM 1007 CG2 ILE A 70 9.908 -5.979 1.077 1.00 64.55 C ATOM 1008 CD1 ILE A 70 9.014 -2.736 -0.586 1.00 24.31 C ATOM 0 H ILE A 70 11.556 -4.292 -2.289 1.00 72.24 H new ATOM 0 HA ILE A 70 12.206 -4.509 0.620 1.00 31.14 H new ATOM 0 HB ILE A 70 9.718 -5.208 -0.908 1.00 31.24 H new ATOM 0 HG12 ILE A 70 9.073 -3.678 1.342 1.00 73.21 H new ATOM 0 HG13 ILE A 70 10.596 -2.965 0.847 1.00 73.21 H new ATOM 0 HG21 ILE A 70 8.834 -5.992 1.263 1.00 64.55 H new ATOM 0 HG22 ILE A 70 10.227 -6.960 0.725 1.00 64.55 H new ATOM 0 HG23 ILE A 70 10.433 -5.736 2.001 1.00 64.55 H new ATOM 0 HD11 ILE A 70 8.699 -1.777 -0.174 1.00 24.31 H new ATOM 0 HD12 ILE A 70 9.685 -2.566 -1.428 1.00 24.31 H new ATOM 0 HD13 ILE A 70 8.139 -3.290 -0.925 1.00 24.31 H new ATOM 1019 N LEU A 71 13.266 -6.670 0.145 1.00 75.23 N ATOM 1020 CA LEU A 71 14.029 -7.892 -0.073 1.00 24.10 C ATOM 1021 C LEU A 71 14.626 -7.864 -1.484 1.00 62.35 C ATOM 1022 O LEU A 71 14.441 -8.794 -2.271 1.00 72.52 O ATOM 1023 CB LEU A 71 13.174 -9.131 0.251 1.00 20.30 C ATOM 1024 CG LEU A 71 13.030 -9.444 1.755 1.00 21.42 C ATOM 1025 CD1 LEU A 71 12.386 -8.347 2.611 1.00 41.14 C ATOM 1026 CD2 LEU A 71 12.178 -10.709 1.901 1.00 3.11 C ATOM 0 H LEU A 71 13.504 -6.207 1.022 1.00 75.23 H new ATOM 0 HA LEU A 71 14.873 -7.956 0.614 1.00 24.10 H new ATOM 0 HB2 LEU A 71 12.180 -8.990 -0.173 1.00 20.30 H new ATOM 0 HB3 LEU A 71 13.612 -9.997 -0.245 1.00 20.30 H new ATOM 0 HG LEU A 71 14.049 -9.551 2.126 1.00 21.42 H new ATOM 0 HD11 LEU A 71 12.337 -8.677 3.649 1.00 41.14 H new ATOM 0 HD12 LEU A 71 12.984 -7.438 2.547 1.00 41.14 H new ATOM 0 HD13 LEU A 71 11.379 -8.145 2.246 1.00 41.14 H new ATOM 0 HD21 LEU A 71 12.063 -10.950 2.958 1.00 3.11 H new ATOM 0 HD22 LEU A 71 11.197 -10.540 1.458 1.00 3.11 H new ATOM 0 HD23 LEU A 71 12.668 -11.539 1.391 1.00 3.11 H new ATOM 1037 N GLY A 72 15.270 -6.742 -1.827 1.00 41.33 N ATOM 1038 CA GLY A 72 16.011 -6.511 -3.059 1.00 21.32 C ATOM 1039 C GLY A 72 15.157 -6.428 -4.327 1.00 4.42 C ATOM 1040 O GLY A 72 15.662 -6.022 -5.383 1.00 43.01 O ATOM 0 H GLY A 72 15.285 -5.928 -1.212 1.00 41.33 H new ATOM 0 HA2 GLY A 72 16.573 -5.583 -2.957 1.00 21.32 H new ATOM 0 HA3 GLY A 72 16.739 -7.313 -3.182 1.00 21.32 H new ATOM 1044 N GLN A 73 13.875 -6.778 -4.253 1.00 33.14 N ATOM 1045 CA GLN A 73 12.946 -6.705 -5.351 1.00 2.30 C ATOM 1046 C GLN A 73 12.494 -5.263 -5.435 1.00 23.54 C ATOM 1047 O GLN A 73 12.107 -4.654 -4.439 1.00 35.10 O ATOM 1048 CB GLN A 73 11.781 -7.663 -5.097 1.00 22.51 C ATOM 1049 CG GLN A 73 12.239 -9.109 -5.347 1.00 20.34 C ATOM 1050 CD GLN A 73 11.630 -10.119 -4.388 1.00 24.20 C ATOM 1051 OE1 GLN A 73 10.845 -10.980 -4.774 1.00 35.43 O ATOM 1052 NE2 GLN A 73 12.033 -10.080 -3.125 1.00 55.03 N ATOM 0 H GLN A 73 13.452 -7.130 -3.394 1.00 33.14 H new ATOM 0 HA GLN A 73 13.396 -7.004 -6.298 1.00 2.30 H new ATOM 0 HB2 GLN A 73 11.425 -7.555 -4.072 1.00 22.51 H new ATOM 0 HB3 GLN A 73 10.945 -7.417 -5.752 1.00 22.51 H new ATOM 0 HG2 GLN A 73 11.982 -9.390 -6.368 1.00 20.34 H new ATOM 0 HG3 GLN A 73 13.325 -9.155 -5.268 1.00 20.34 H new ATOM 0 HE21 GLN A 73 12.686 -9.358 -2.820 1.00 55.03 H new ATOM 0 HE22 GLN A 73 11.690 -10.772 -2.459 1.00 55.03 H new ATOM 1059 N LYS A 74 12.554 -4.726 -6.645 1.00 22.34 N ATOM 1060 CA LYS A 74 11.924 -3.473 -6.993 1.00 74.54 C ATOM 1061 C LYS A 74 10.426 -3.662 -6.828 1.00 3.31 C ATOM 1062 O LYS A 74 9.894 -4.692 -7.247 1.00 55.25 O ATOM 1063 CB LYS A 74 12.295 -3.156 -8.440 1.00 32.44 C ATOM 1064 CG LYS A 74 11.788 -1.787 -8.896 1.00 3.10 C ATOM 1065 CD LYS A 74 12.313 -1.463 -10.295 1.00 40.35 C ATOM 1066 CE LYS A 74 13.846 -1.359 -10.275 1.00 71.11 C ATOM 1067 NZ LYS A 74 14.368 -0.703 -11.480 1.00 72.42 N ATOM 0 H LYS A 74 13.052 -5.161 -7.422 1.00 22.34 H new ATOM 0 HA LYS A 74 12.248 -2.646 -6.362 1.00 74.54 H new ATOM 0 HB2 LYS A 74 13.379 -3.191 -8.548 1.00 32.44 H new ATOM 0 HB3 LYS A 74 11.884 -3.926 -9.093 1.00 32.44 H new ATOM 0 HG2 LYS A 74 10.698 -1.778 -8.899 1.00 3.10 H new ATOM 0 HG3 LYS A 74 12.111 -1.020 -8.193 1.00 3.10 H new ATOM 0 HD2 LYS A 74 12.003 -2.238 -10.996 1.00 40.35 H new ATOM 0 HD3 LYS A 74 11.882 -0.525 -10.645 1.00 40.35 H new ATOM 0 HE2 LYS A 74 14.160 -0.801 -9.393 1.00 71.11 H new ATOM 0 HE3 LYS A 74 14.276 -2.357 -10.190 1.00 71.11 H new ATOM 0 HZ1 LYS A 74 15.405 -0.653 -11.426 1.00 72.42 H new ATOM 0 HZ2 LYS A 74 14.091 -1.249 -12.320 1.00 72.42 H new ATOM 0 HZ3 LYS A 74 13.978 0.259 -11.548 1.00 72.42 H new ATOM 1077 N VAL A 75 9.768 -2.660 -6.273 1.00 33.21 N ATOM 1078 CA VAL A 75 8.346 -2.628 -5.983 1.00 60.43 C ATOM 1079 C VAL A 75 7.837 -1.297 -6.525 1.00 2.03 C ATOM 1080 O VAL A 75 8.528 -0.285 -6.410 1.00 43.23 O ATOM 1081 CB VAL A 75 8.173 -2.806 -4.464 1.00 64.53 C ATOM 1082 CG1 VAL A 75 6.766 -2.591 -3.901 1.00 62.31 C ATOM 1083 CG2 VAL A 75 8.646 -4.194 -4.001 1.00 52.34 C ATOM 0 H VAL A 75 10.239 -1.798 -5.997 1.00 33.21 H new ATOM 0 HA VAL A 75 7.768 -3.425 -6.451 1.00 60.43 H new ATOM 0 HB VAL A 75 8.794 -2.002 -4.069 1.00 64.53 H new ATOM 0 HG11 VAL A 75 6.778 -2.746 -2.822 1.00 62.31 H new ATOM 0 HG12 VAL A 75 6.439 -1.574 -4.118 1.00 62.31 H new ATOM 0 HG13 VAL A 75 6.078 -3.300 -4.361 1.00 62.31 H new ATOM 0 HG21 VAL A 75 8.509 -4.284 -2.923 1.00 52.34 H new ATOM 0 HG22 VAL A 75 8.064 -4.964 -4.507 1.00 52.34 H new ATOM 0 HG23 VAL A 75 9.701 -4.319 -4.244 1.00 52.34 H new ATOM 1093 N SER A 76 6.650 -1.285 -7.123 1.00 40.42 N ATOM 1094 CA SER A 76 6.033 -0.078 -7.677 1.00 52.51 C ATOM 1095 C SER A 76 4.846 0.340 -6.811 1.00 3.12 C ATOM 1096 O SER A 76 4.223 -0.503 -6.159 1.00 44.34 O ATOM 1097 CB SER A 76 5.666 -0.265 -9.159 1.00 61.03 C ATOM 1098 OG SER A 76 4.981 -1.472 -9.444 1.00 24.33 O ATOM 0 H SER A 76 6.080 -2.123 -7.240 1.00 40.42 H new ATOM 0 HA SER A 76 6.755 0.738 -7.655 1.00 52.51 H new ATOM 0 HB2 SER A 76 5.046 0.574 -9.476 1.00 61.03 H new ATOM 0 HB3 SER A 76 6.579 -0.230 -9.754 1.00 61.03 H new ATOM 0 HG SER A 76 4.782 -1.517 -10.402 1.00 24.33 H new ATOM 1103 N MET A 77 4.534 1.640 -6.783 1.00 33.10 N ATOM 1104 CA MET A 77 3.496 2.196 -5.914 1.00 62.41 C ATOM 1105 C MET A 77 2.439 2.976 -6.686 1.00 4.53 C ATOM 1106 O MET A 77 2.731 3.641 -7.685 1.00 11.23 O ATOM 1107 CB MET A 77 4.071 2.995 -4.734 1.00 31.10 C ATOM 1108 CG MET A 77 5.185 3.989 -5.069 1.00 75.12 C ATOM 1109 SD MET A 77 6.610 4.015 -3.940 1.00 24.22 S ATOM 1110 CE MET A 77 5.842 4.499 -2.373 1.00 33.11 C ATOM 0 H MET A 77 4.997 2.337 -7.366 1.00 33.10 H new ATOM 0 HA MET A 77 2.984 1.339 -5.477 1.00 62.41 H new ATOM 0 HB2 MET A 77 3.255 3.542 -4.261 1.00 31.10 H new ATOM 0 HB3 MET A 77 4.452 2.289 -3.996 1.00 31.10 H new ATOM 0 HG2 MET A 77 5.548 3.770 -6.073 1.00 75.12 H new ATOM 0 HG3 MET A 77 4.753 4.989 -5.098 1.00 75.12 H new ATOM 0 HE1 MET A 77 6.440 5.278 -1.900 1.00 33.11 H new ATOM 0 HE2 MET A 77 4.837 4.878 -2.562 1.00 33.11 H new ATOM 0 HE3 MET A 77 5.785 3.633 -1.713 1.00 33.11 H new ATOM 1118 N HIS A 78 1.200 2.859 -6.203 1.00 11.54 N ATOM 1119 CA HIS A 78 -0.023 3.283 -6.869 1.00 0.10 C ATOM 1120 C HIS A 78 -1.029 3.732 -5.811 1.00 11.22 C ATOM 1121 O HIS A 78 -1.151 3.078 -4.773 1.00 2.33 O ATOM 1122 CB HIS A 78 -0.605 2.085 -7.636 1.00 13.52 C ATOM 1123 CG HIS A 78 0.327 1.504 -8.663 1.00 75.24 C ATOM 1124 ND1 HIS A 78 0.464 1.963 -9.952 1.00 22.31 N ATOM 1125 CD2 HIS A 78 1.228 0.488 -8.467 1.00 52.35 C ATOM 1126 CE1 HIS A 78 1.443 1.247 -10.526 1.00 15.50 C ATOM 1127 NE2 HIS A 78 1.907 0.310 -9.678 1.00 52.14 N ATOM 0 H HIS A 78 1.019 2.444 -5.289 1.00 11.54 H new ATOM 0 HA HIS A 78 0.185 4.103 -7.556 1.00 0.10 H new ATOM 0 HB2 HIS A 78 -0.874 1.306 -6.923 1.00 13.52 H new ATOM 0 HB3 HIS A 78 -1.525 2.396 -8.130 1.00 13.52 H new ATOM 0 HD2 HIS A 78 1.383 -0.068 -7.554 1.00 52.35 H new ATOM 0 HE1 HIS A 78 1.809 1.401 -11.530 1.00 15.50 H new ATOM 0 HE2 HIS A 78 2.617 -0.394 -9.879 1.00 52.14 H new ATOM 1134 N TYR A 79 -1.758 4.814 -6.077 1.00 73.01 N ATOM 1135 CA TYR A 79 -2.851 5.324 -5.272 1.00 31.21 C ATOM 1136 C TYR A 79 -4.096 4.439 -5.419 1.00 1.12 C ATOM 1137 O TYR A 79 -4.981 4.717 -6.234 1.00 61.35 O ATOM 1138 CB TYR A 79 -3.129 6.767 -5.720 1.00 71.33 C ATOM 1139 CG TYR A 79 -2.091 7.818 -5.350 1.00 41.14 C ATOM 1140 CD1 TYR A 79 -1.438 7.783 -4.102 1.00 53.21 C ATOM 1141 CD2 TYR A 79 -1.839 8.894 -6.225 1.00 12.14 C ATOM 1142 CE1 TYR A 79 -0.610 8.841 -3.695 1.00 65.10 C ATOM 1143 CE2 TYR A 79 -0.978 9.937 -5.843 1.00 45.33 C ATOM 1144 CZ TYR A 79 -0.376 9.924 -4.568 1.00 31.25 C ATOM 1145 OH TYR A 79 0.459 10.927 -4.205 1.00 42.22 O ATOM 0 H TYR A 79 -1.588 5.384 -6.905 1.00 73.01 H new ATOM 0 HA TYR A 79 -2.584 5.312 -4.215 1.00 31.21 H new ATOM 0 HB2 TYR A 79 -3.242 6.769 -6.804 1.00 71.33 H new ATOM 0 HB3 TYR A 79 -4.087 7.074 -5.299 1.00 71.33 H new ATOM 0 HD1 TYR A 79 -1.576 6.932 -3.451 1.00 53.21 H new ATOM 0 HD2 TYR A 79 -2.311 8.917 -7.196 1.00 12.14 H new ATOM 0 HE1 TYR A 79 -0.153 8.826 -2.716 1.00 65.10 H new ATOM 0 HE2 TYR A 79 -0.777 10.749 -6.526 1.00 45.33 H new ATOM 0 HH TYR A 79 0.506 11.590 -4.925 1.00 42.22 H new ATOM 1154 N SER A 80 -4.189 3.372 -4.627 1.00 4.24 N ATOM 1155 CA SER A 80 -5.351 2.490 -4.604 1.00 63.02 C ATOM 1156 C SER A 80 -6.342 2.982 -3.554 1.00 34.20 C ATOM 1157 O SER A 80 -6.761 2.217 -2.687 1.00 35.30 O ATOM 1158 CB SER A 80 -4.904 1.045 -4.372 1.00 63.34 C ATOM 1159 OG SER A 80 -5.857 0.151 -4.915 1.00 52.53 O ATOM 0 H SER A 80 -3.453 3.094 -3.978 1.00 4.24 H new ATOM 0 HA SER A 80 -5.863 2.510 -5.566 1.00 63.02 H new ATOM 0 HB2 SER A 80 -3.931 0.878 -4.835 1.00 63.34 H new ATOM 0 HB3 SER A 80 -4.786 0.859 -3.305 1.00 63.34 H new ATOM 0 HG SER A 80 -5.395 -0.605 -5.333 1.00 52.53 H new ATOM 1164 N ASP A 81 -6.702 4.264 -3.606 1.00 52.53 N ATOM 1165 CA ASP A 81 -7.707 4.832 -2.706 1.00 44.42 C ATOM 1166 C ASP A 81 -9.036 4.064 -2.794 1.00 52.14 C ATOM 1167 O ASP A 81 -9.253 3.303 -3.742 1.00 4.12 O ATOM 1168 CB ASP A 81 -7.807 6.344 -2.925 1.00 14.41 C ATOM 1169 CG ASP A 81 -8.376 6.816 -4.261 1.00 64.20 C ATOM 1170 OD1 ASP A 81 -9.275 6.171 -4.847 1.00 42.12 O ATOM 1171 OD2 ASP A 81 -7.953 7.923 -4.665 1.00 24.15 O ATOM 0 H ASP A 81 -6.309 4.934 -4.267 1.00 52.53 H new ATOM 0 HA ASP A 81 -7.398 4.705 -1.669 1.00 44.42 H new ATOM 0 HB2 ASP A 81 -8.423 6.761 -2.128 1.00 14.41 H new ATOM 0 HB3 ASP A 81 -6.810 6.769 -2.813 1.00 14.41 H new ATOM 1175 N PRO A 82 -9.913 4.150 -1.780 1.00 23.00 N ATOM 1176 CA PRO A 82 -10.891 3.093 -1.553 1.00 21.23 C ATOM 1177 C PRO A 82 -12.035 3.110 -2.560 1.00 24.41 C ATOM 1178 O PRO A 82 -12.737 2.108 -2.705 1.00 13.22 O ATOM 1179 CB PRO A 82 -11.417 3.346 -0.143 1.00 24.03 C ATOM 1180 CG PRO A 82 -11.294 4.854 0.020 1.00 12.44 C ATOM 1181 CD PRO A 82 -9.985 5.138 -0.711 1.00 54.23 C ATOM 0 HA PRO A 82 -10.430 2.112 -1.670 1.00 21.23 H new ATOM 0 HB2 PRO A 82 -12.450 3.014 -0.035 1.00 24.03 H new ATOM 0 HB3 PRO A 82 -10.831 2.813 0.605 1.00 24.03 H new ATOM 0 HG2 PRO A 82 -12.135 5.384 -0.426 1.00 12.44 H new ATOM 0 HG3 PRO A 82 -11.250 5.150 1.068 1.00 12.44 H new ATOM 0 HD2 PRO A 82 -9.971 6.151 -1.112 1.00 54.23 H new ATOM 0 HD3 PRO A 82 -9.132 5.050 -0.038 1.00 54.23 H new ATOM 1186 N LYS A 83 -12.227 4.256 -3.214 1.00 41.24 N ATOM 1187 CA LYS A 83 -13.433 4.721 -3.873 1.00 43.42 C ATOM 1188 C LYS A 83 -14.612 4.709 -2.929 1.00 44.32 C ATOM 1189 O LYS A 83 -14.643 4.027 -1.901 1.00 2.13 O ATOM 1190 CB LYS A 83 -13.574 4.161 -5.315 1.00 62.23 C ATOM 1191 CG LYS A 83 -14.232 2.791 -5.502 1.00 15.23 C ATOM 1192 CD LYS A 83 -14.294 2.359 -6.967 1.00 24.02 C ATOM 1193 CE LYS A 83 -12.963 1.779 -7.479 1.00 51.53 C ATOM 1194 NZ LYS A 83 -12.958 1.694 -8.959 1.00 62.13 N ATOM 0 H LYS A 83 -11.472 4.937 -3.299 1.00 41.24 H new ATOM 0 HA LYS A 83 -13.371 5.784 -4.106 1.00 43.42 H new ATOM 0 HB2 LYS A 83 -14.143 4.885 -5.898 1.00 62.23 H new ATOM 0 HB3 LYS A 83 -12.576 4.113 -5.752 1.00 62.23 H new ATOM 0 HG2 LYS A 83 -13.678 2.046 -4.931 1.00 15.23 H new ATOM 0 HG3 LYS A 83 -15.242 2.819 -5.093 1.00 15.23 H new ATOM 0 HD2 LYS A 83 -15.079 1.613 -7.087 1.00 24.02 H new ATOM 0 HD3 LYS A 83 -14.571 3.216 -7.581 1.00 24.02 H new ATOM 0 HE2 LYS A 83 -12.136 2.405 -7.144 1.00 51.53 H new ATOM 0 HE3 LYS A 83 -12.806 0.788 -7.053 1.00 51.53 H new ATOM 0 HZ1 LYS A 83 -12.051 1.300 -9.281 1.00 62.13 H new ATOM 0 HZ2 LYS A 83 -13.734 1.078 -9.274 1.00 62.13 H new ATOM 0 HZ3 LYS A 83 -13.085 2.644 -9.362 1.00 62.13 H new ATOM 1204 N PRO A 84 -15.602 5.549 -3.236 1.00 23.03 N ATOM 1205 CA PRO A 84 -16.907 5.387 -2.690 1.00 13.14 C ATOM 1206 C PRO A 84 -17.432 4.007 -3.107 1.00 11.20 C ATOM 1207 O PRO A 84 -16.745 3.025 -3.386 1.00 23.21 O ATOM 1208 CB PRO A 84 -17.699 6.629 -3.135 1.00 41.51 C ATOM 1209 CG PRO A 84 -17.021 7.060 -4.424 1.00 33.15 C ATOM 1210 CD PRO A 84 -15.582 6.676 -4.165 1.00 41.21 C ATOM 0 HA PRO A 84 -16.976 5.362 -1.602 1.00 13.14 H new ATOM 0 HB2 PRO A 84 -18.751 6.394 -3.297 1.00 41.51 H new ATOM 0 HB3 PRO A 84 -17.661 7.416 -2.382 1.00 41.51 H new ATOM 0 HG2 PRO A 84 -17.431 6.545 -5.293 1.00 33.15 H new ATOM 0 HG3 PRO A 84 -17.132 8.129 -4.606 1.00 33.15 H new ATOM 0 HD2 PRO A 84 -15.083 6.401 -5.094 1.00 41.21 H new ATOM 0 HD3 PRO A 84 -15.029 7.515 -3.742 1.00 41.21 H new ATOM 1215 N LYS A 85 -18.720 3.928 -2.976 1.00 71.12 N ATOM 1216 CA LYS A 85 -19.508 2.891 -3.631 1.00 23.20 C ATOM 1217 C LYS A 85 -20.580 3.604 -4.422 1.00 23.32 C ATOM 1218 O LYS A 85 -21.541 4.118 -3.850 1.00 62.23 O ATOM 1219 CB LYS A 85 -20.093 1.831 -2.674 1.00 33.14 C ATOM 1220 CG LYS A 85 -19.129 1.236 -1.634 1.00 54.32 C ATOM 1221 CD LYS A 85 -19.112 2.055 -0.333 1.00 21.22 C ATOM 1222 CE LYS A 85 -20.147 1.564 0.683 1.00 24.44 C ATOM 1223 NZ LYS A 85 -19.605 0.490 1.536 1.00 11.21 N ATOM 0 H LYS A 85 -19.271 4.576 -2.413 1.00 71.12 H new ATOM 0 HA LYS A 85 -18.858 2.302 -4.278 1.00 23.20 H new ATOM 0 HB2 LYS A 85 -20.933 2.278 -2.143 1.00 33.14 H new ATOM 0 HB3 LYS A 85 -20.493 1.014 -3.274 1.00 33.14 H new ATOM 0 HG2 LYS A 85 -19.422 0.210 -1.413 1.00 54.32 H new ATOM 0 HG3 LYS A 85 -18.123 1.197 -2.052 1.00 54.32 H new ATOM 0 HD2 LYS A 85 -18.118 2.004 0.112 1.00 21.22 H new ATOM 0 HD3 LYS A 85 -19.304 3.103 -0.565 1.00 21.22 H new ATOM 0 HE2 LYS A 85 -20.468 2.398 1.307 1.00 24.44 H new ATOM 0 HE3 LYS A 85 -21.030 1.201 0.157 1.00 24.44 H new ATOM 0 HZ1 LYS A 85 -20.333 0.182 2.212 1.00 11.21 H new ATOM 0 HZ2 LYS A 85 -19.321 -0.315 0.942 1.00 11.21 H new ATOM 0 HZ3 LYS A 85 -18.777 0.844 2.057 1.00 11.21 H new ATOM 1233 N ILE A 86 -20.330 3.742 -5.707 1.00 73.12 N ATOM 1234 CA ILE A 86 -21.162 4.363 -6.711 1.00 52.34 C ATOM 1235 C ILE A 86 -21.365 3.292 -7.776 1.00 42.52 C ATOM 1236 O ILE A 86 -20.451 2.533 -8.120 1.00 21.10 O ATOM 1237 CB ILE A 86 -20.474 5.630 -7.264 1.00 1.41 C ATOM 1238 CG1 ILE A 86 -20.217 6.596 -6.090 1.00 54.54 C ATOM 1239 CG2 ILE A 86 -21.330 6.302 -8.349 1.00 61.02 C ATOM 1240 CD1 ILE A 86 -19.552 7.915 -6.472 1.00 41.20 C ATOM 0 H ILE A 86 -19.461 3.390 -6.109 1.00 73.12 H new ATOM 0 HA ILE A 86 -22.122 4.700 -6.320 1.00 52.34 H new ATOM 0 HB ILE A 86 -19.529 5.355 -7.732 1.00 1.41 H new ATOM 0 HG12 ILE A 86 -21.168 6.814 -5.604 1.00 54.54 H new ATOM 0 HG13 ILE A 86 -19.591 6.091 -5.354 1.00 54.54 H new ATOM 0 HG21 ILE A 86 -20.818 7.191 -8.718 1.00 61.02 H new ATOM 0 HG22 ILE A 86 -21.486 5.605 -9.173 1.00 61.02 H new ATOM 0 HG23 ILE A 86 -22.294 6.587 -7.927 1.00 61.02 H new ATOM 0 HD11 ILE A 86 -19.414 8.525 -5.579 1.00 41.20 H new ATOM 0 HD12 ILE A 86 -18.583 7.715 -6.928 1.00 41.20 H new ATOM 0 HD13 ILE A 86 -20.184 8.449 -7.182 1.00 41.20 H new ATOM 1251 N ASN A 87 -22.595 3.230 -8.263 1.00 35.43 N ATOM 1252 CA ASN A 87 -23.033 2.278 -9.265 1.00 35.14 C ATOM 1253 C ASN A 87 -22.862 2.889 -10.646 1.00 1.34 C ATOM 1254 O ASN A 87 -22.891 4.114 -10.797 1.00 24.10 O ATOM 1255 CB ASN A 87 -24.490 1.875 -9.031 1.00 35.00 C ATOM 1256 CG ASN A 87 -24.667 0.996 -7.803 1.00 60.44 C ATOM 1257 OD1 ASN A 87 -25.091 -0.149 -7.913 1.00 35.30 O ATOM 1258 ND2 ASN A 87 -24.364 1.505 -6.624 1.00 52.11 N ATOM 0 H ASN A 87 -23.337 3.862 -7.961 1.00 35.43 H new ATOM 0 HA ASN A 87 -22.424 1.377 -9.192 1.00 35.14 H new ATOM 0 HB2 ASN A 87 -25.098 2.773 -8.920 1.00 35.00 H new ATOM 0 HB3 ASN A 87 -24.861 1.345 -9.908 1.00 35.00 H new ATOM 0 HD21 ASN A 87 -24.481 0.943 -5.781 1.00 52.11 H new ATOM 0 HD22 ASN A 87 -24.013 2.460 -6.556 1.00 52.11 H new ATOM 1264 N GLU A 88 -22.748 2.022 -11.649 1.00 74.24 N ATOM 1265 CA GLU A 88 -22.450 2.339 -13.041 1.00 63.32 C ATOM 1266 C GLU A 88 -21.279 3.325 -13.097 1.00 43.51 C ATOM 1267 O GLU A 88 -21.283 4.384 -13.717 1.00 65.41 O ATOM 1268 CB GLU A 88 -23.743 2.727 -13.765 1.00 53.22 C ATOM 1269 CG GLU A 88 -24.350 1.550 -14.553 1.00 33.23 C ATOM 1270 CD GLU A 88 -24.766 0.281 -13.781 1.00 54.42 C ATOM 1271 OE1 GLU A 88 -24.290 -0.035 -12.660 1.00 71.04 O ATOM 1272 OE2 GLU A 88 -25.456 -0.554 -14.397 1.00 43.12 O ATOM 0 H GLU A 88 -22.869 1.020 -11.502 1.00 74.24 H new ATOM 0 HA GLU A 88 -22.090 1.478 -13.605 1.00 63.32 H new ATOM 0 HB2 GLU A 88 -24.470 3.087 -13.037 1.00 53.22 H new ATOM 0 HB3 GLU A 88 -23.540 3.552 -14.448 1.00 53.22 H new ATOM 0 HG2 GLU A 88 -25.230 1.922 -15.078 1.00 33.23 H new ATOM 0 HG3 GLU A 88 -23.628 1.253 -15.313 1.00 33.23 H new ATOM 1277 N ASP A 89 -20.243 2.928 -12.372 1.00 20.14 N ATOM 1278 CA ASP A 89 -19.114 3.743 -11.916 1.00 0.54 C ATOM 1279 C ASP A 89 -18.150 4.142 -13.037 1.00 42.21 C ATOM 1280 O ASP A 89 -17.185 4.882 -12.839 1.00 51.23 O ATOM 1281 CB ASP A 89 -18.371 2.919 -10.872 1.00 73.02 C ATOM 1282 CG ASP A 89 -17.593 3.755 -9.862 1.00 13.31 C ATOM 1283 OD1 ASP A 89 -17.782 4.984 -9.760 1.00 41.52 O ATOM 1284 OD2 ASP A 89 -16.770 3.149 -9.132 1.00 20.04 O ATOM 0 H ASP A 89 -20.159 1.960 -12.062 1.00 20.14 H new ATOM 0 HA ASP A 89 -19.502 4.679 -11.515 1.00 0.54 H new ATOM 0 HB2 ASP A 89 -19.088 2.296 -10.337 1.00 73.02 H new ATOM 0 HB3 ASP A 89 -17.681 2.245 -11.380 1.00 73.02 H new ATOM 1288 N TRP A 90 -18.402 3.578 -14.211 1.00 64.23 N ATOM 1289 CA TRP A 90 -17.660 3.659 -15.459 1.00 64.05 C ATOM 1290 C TRP A 90 -18.596 3.899 -16.652 1.00 74.25 C ATOM 1291 O TRP A 90 -18.166 3.877 -17.807 1.00 73.42 O ATOM 1292 CB TRP A 90 -16.889 2.340 -15.621 1.00 73.23 C ATOM 1293 CG TRP A 90 -17.763 1.119 -15.730 1.00 73.33 C ATOM 1294 CD1 TRP A 90 -18.454 0.549 -14.715 1.00 72.31 C ATOM 1295 CD2 TRP A 90 -18.117 0.358 -16.928 1.00 41.13 C ATOM 1296 NE1 TRP A 90 -19.230 -0.479 -15.206 1.00 71.31 N ATOM 1297 CE2 TRP A 90 -19.043 -0.662 -16.559 1.00 61.03 C ATOM 1298 CE3 TRP A 90 -17.763 0.430 -18.293 1.00 14.13 C ATOM 1299 CZ2 TRP A 90 -19.575 -1.572 -17.487 1.00 40.52 C ATOM 1300 CZ3 TRP A 90 -18.304 -0.464 -19.238 1.00 31.21 C ATOM 1301 CH2 TRP A 90 -19.207 -1.466 -18.839 1.00 11.23 C ATOM 0 H TRP A 90 -19.225 2.986 -14.322 1.00 64.23 H new ATOM 0 HA TRP A 90 -16.971 4.503 -15.432 1.00 64.05 H new ATOM 0 HB2 TRP A 90 -16.264 2.405 -16.512 1.00 73.23 H new ATOM 0 HB3 TRP A 90 -16.219 2.218 -14.770 1.00 73.23 H new ATOM 0 HD1 TRP A 90 -18.405 0.853 -13.680 1.00 72.31 H new ATOM 0 HE1 TRP A 90 -19.866 -1.037 -14.636 1.00 71.31 H new ATOM 0 HE3 TRP A 90 -17.064 1.185 -18.619 1.00 14.13 H new ATOM 0 HZ2 TRP A 90 -20.259 -2.344 -17.165 1.00 40.52 H new ATOM 0 HZ3 TRP A 90 -18.023 -0.379 -20.277 1.00 31.21 H new ATOM 0 HH2 TRP A 90 -19.615 -2.150 -19.568 1.00 11.23 H new ATOM 1311 N LEU A 91 -19.887 4.082 -16.369 1.00 22.03 N ATOM 1312 CA LEU A 91 -20.954 4.221 -17.344 1.00 14.21 C ATOM 1313 C LEU A 91 -21.295 5.682 -17.502 1.00 50.53 C ATOM 1314 O LEU A 91 -21.151 6.458 -16.522 1.00 62.21 O ATOM 1315 CB LEU A 91 -22.205 3.424 -16.939 1.00 21.32 C ATOM 1316 CG LEU A 91 -22.646 2.343 -17.937 1.00 54.21 C ATOM 1317 CD1 LEU A 91 -22.855 2.863 -19.365 1.00 60.45 C ATOM 1318 CD2 LEU A 91 -21.651 1.180 -17.925 1.00 44.45 C ATOM 0 H LEU A 91 -20.226 4.139 -15.409 1.00 22.03 H new ATOM 0 HA LEU A 91 -20.605 3.816 -18.294 1.00 14.21 H new ATOM 0 HB2 LEU A 91 -22.018 2.951 -15.975 1.00 21.32 H new ATOM 0 HB3 LEU A 91 -23.030 4.122 -16.797 1.00 21.32 H new ATOM 0 HG LEU A 91 -23.624 1.997 -17.603 1.00 54.21 H new ATOM 0 HD11 LEU A 91 -23.165 2.041 -20.010 1.00 60.45 H new ATOM 0 HD12 LEU A 91 -23.626 3.633 -19.363 1.00 60.45 H new ATOM 0 HD13 LEU A 91 -21.922 3.285 -19.739 1.00 60.45 H new ATOM 0 HD21 LEU A 91 -21.972 0.419 -18.636 1.00 44.45 H new ATOM 0 HD22 LEU A 91 -20.663 1.544 -18.205 1.00 44.45 H new ATOM 0 HD23 LEU A 91 -21.608 0.748 -16.925 1.00 44.45 H new TER 1329 LEU A 91