USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 972 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 117 ASN : amide:sc= 0.661 K(o=1.7,f=-1.4) USER MOD Set 1.2: A 119 GLN : amide:sc= 1.03 K(o=1.7,f=-0.49) USER MOD Set 2.1: A 26 GLN : amide:sc= -0.789 K(o=1.6,f=2.3) USER MOD Set 2.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 95 TYR OH : rot 30:sc= 1.04 USER MOD Set 2.4: A 111 SER OG : rot -54:sc= 1.32 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.394 (180deg=-1.1) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0152 (180deg=-0.19) USER MOD Single : A 2 SER OG : rot 180:sc= 0.259 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -150:sc= -0.0294 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 102:sc= -2.31! USER MOD Single : A 9 LYS NZ :NH3+ 146:sc= 1.18 (180deg=0.767) USER MOD Single : A 17 THR OG1 : rot 96:sc= 0.589 USER MOD Single : A 20 CYS SG : rot 41:sc= -1.74! USER MOD Single : A 25 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.44) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.48! C(o=-1.5!,f=-5.8!) USER MOD Single : A 38 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.7!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.77! C(o=-1.8!,f=-6.6!) USER MOD Single : A 50 GLN : amide:sc= 0.374 X(o=0.37,f=0) USER MOD Single : A 52 SER OG : rot 123:sc= -1.31! USER MOD Single : A 55 SER OG : rot 41:sc= -0.587 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 70 SER OG : rot 70:sc= 1.45 USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= 0.796 (180deg=-0.044!) USER MOD Single : A 74 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.133) USER MOD Single : A 75 GLN : amide:sc= -3.44! C(o=-3.4!,f=-3.8!) USER MOD Single : A 76 HIS : no HE2:sc= 0.829 K(o=0.83,f=-5.1!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -111:sc= -1.77! USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 24:sc= 0.746 USER MOD Single : A 97 THR OG1 : rot 19:sc= 0.413 USER MOD Single : A 98 GLN : amide:sc= -0.874 K(o=-0.87,f=0.56) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0788 K(o=-0.079,f=-1.2!) USER MOD Single : A 103 ASN : amide:sc= -0.0906 K(o=-0.091,f=-4!) USER MOD Single : A 105 GLN : amide:sc= -0.161 K(o=-0.16,f=-3.3!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 125 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-2.9!) USER MOD Single : A 126 HIS : no HD1:sc= -2.13 K(o=-2.1,f=0.019) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HE2:sc= 0.927 K(o=0.93,f=-4.5!) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.142 -6.583 4.317 1.00 74.33 N ATOM 2 CA MET A 1 -20.253 -7.625 3.753 1.00 55.44 C ATOM 3 C MET A 1 -20.802 -8.141 2.428 1.00 65.04 C ATOM 4 O MET A 1 -21.232 -9.292 2.325 1.00 75.42 O ATOM 5 CB MET A 1 -20.100 -8.792 4.736 1.00 11.41 C ATOM 6 CG MET A 1 -19.471 -8.405 6.063 1.00 54.00 C ATOM 7 SD MET A 1 -17.765 -7.855 5.888 1.00 35.23 S ATOM 8 CE MET A 1 -17.377 -7.437 7.586 1.00 15.45 C ATOM 0 H1 MET A 1 -20.653 -6.091 5.092 1.00 74.33 H new ATOM 0 H2 MET A 1 -21.389 -5.898 3.574 1.00 74.33 H new ATOM 0 H3 MET A 1 -22.009 -7.027 4.682 1.00 74.33 H new ATOM 0 HA MET A 1 -19.275 -7.175 3.580 1.00 55.44 H new ATOM 0 HB2 MET A 1 -21.082 -9.226 4.924 1.00 11.41 H new ATOM 0 HB3 MET A 1 -19.492 -9.568 4.271 1.00 11.41 H new ATOM 0 HG2 MET A 1 -20.060 -7.610 6.522 1.00 54.00 H new ATOM 0 HG3 MET A 1 -19.506 -9.259 6.740 1.00 54.00 H new ATOM 0 HE1 MET A 1 -16.564 -6.711 7.605 1.00 15.45 H new ATOM 0 HE2 MET A 1 -18.257 -7.009 8.066 1.00 15.45 H new ATOM 0 HE3 MET A 1 -17.073 -8.336 8.122 1.00 15.45 H new ATOM 20 N SER A 2 -20.820 -7.278 1.422 1.00 40.23 N ATOM 21 CA SER A 2 -21.225 -7.675 0.084 1.00 22.22 C ATOM 22 C SER A 2 -20.022 -7.646 -0.857 1.00 55.12 C ATOM 23 O SER A 2 -19.501 -8.691 -1.249 1.00 44.24 O ATOM 24 CB SER A 2 -22.342 -6.759 -0.420 1.00 62.54 C ATOM 25 OG SER A 2 -21.988 -5.391 -0.284 1.00 12.41 O ATOM 0 H SER A 2 -20.558 -6.296 1.509 1.00 40.23 H new ATOM 0 HA SER A 2 -21.610 -8.694 0.112 1.00 22.22 H new ATOM 0 HB2 SER A 2 -22.552 -6.980 -1.466 1.00 62.54 H new ATOM 0 HB3 SER A 2 -23.257 -6.957 0.138 1.00 62.54 H new ATOM 0 HG SER A 2 -22.719 -4.829 -0.615 1.00 12.41 H new ATOM 31 N GLN A 3 -19.570 -6.445 -1.194 1.00 41.32 N ATOM 32 CA GLN A 3 -18.390 -6.274 -2.026 1.00 52.25 C ATOM 33 C GLN A 3 -17.190 -5.927 -1.155 1.00 15.24 C ATOM 34 O GLN A 3 -16.606 -4.850 -1.273 1.00 25.52 O ATOM 35 CB GLN A 3 -18.614 -5.182 -3.074 1.00 42.12 C ATOM 36 CG GLN A 3 -19.745 -5.488 -4.042 1.00 13.23 C ATOM 37 CD GLN A 3 -19.853 -4.463 -5.152 1.00 71.21 C ATOM 38 OE1 GLN A 3 -20.552 -3.459 -5.024 1.00 32.12 O ATOM 39 NE2 GLN A 3 -19.164 -4.716 -6.252 1.00 60.12 N ATOM 0 H GLN A 3 -20.007 -5.571 -0.901 1.00 41.32 H new ATOM 0 HA GLN A 3 -18.197 -7.211 -2.548 1.00 52.25 H new ATOM 0 HB2 GLN A 3 -18.827 -4.241 -2.566 1.00 42.12 H new ATOM 0 HB3 GLN A 3 -17.693 -5.038 -3.639 1.00 42.12 H new ATOM 0 HG2 GLN A 3 -19.589 -6.475 -4.477 1.00 13.23 H new ATOM 0 HG3 GLN A 3 -20.687 -5.526 -3.495 1.00 13.23 H new ATOM 0 HE21 GLN A 3 -18.597 -5.561 -6.315 1.00 60.12 H new ATOM 0 HE22 GLN A 3 -19.200 -4.066 -7.037 1.00 60.12 H new ATOM 48 N TRP A 4 -16.848 -6.843 -0.262 1.00 45.22 N ATOM 49 CA TRP A 4 -15.752 -6.643 0.672 1.00 52.01 C ATOM 50 C TRP A 4 -14.746 -7.781 0.553 1.00 51.13 C ATOM 51 O TRP A 4 -15.123 -8.943 0.385 1.00 41.20 O ATOM 52 CB TRP A 4 -16.296 -6.546 2.099 1.00 73.12 C ATOM 53 CG TRP A 4 -17.160 -5.338 2.314 1.00 2.31 C ATOM 54 CD1 TRP A 4 -18.487 -5.207 2.023 1.00 1.42 C ATOM 55 CD2 TRP A 4 -16.748 -4.085 2.860 1.00 64.30 C ATOM 56 NE1 TRP A 4 -18.924 -3.948 2.358 1.00 1.34 N ATOM 57 CE2 TRP A 4 -17.873 -3.242 2.876 1.00 22.31 C ATOM 58 CE3 TRP A 4 -15.534 -3.597 3.337 1.00 5.34 C ATOM 59 CZ2 TRP A 4 -17.818 -1.937 3.354 1.00 71.44 C ATOM 60 CZ3 TRP A 4 -15.478 -2.302 3.812 1.00 1.23 C ATOM 61 CH2 TRP A 4 -16.614 -1.486 3.820 1.00 65.41 C ATOM 0 H TRP A 4 -17.320 -7.742 -0.165 1.00 45.22 H new ATOM 0 HA TRP A 4 -15.242 -5.710 0.431 1.00 52.01 H new ATOM 0 HB2 TRP A 4 -16.872 -7.443 2.324 1.00 73.12 H new ATOM 0 HB3 TRP A 4 -15.461 -6.519 2.800 1.00 73.12 H new ATOM 0 HD1 TRP A 4 -19.104 -5.981 1.592 1.00 1.42 H new ATOM 0 HE1 TRP A 4 -19.875 -3.598 2.240 1.00 1.34 H new ATOM 0 HE3 TRP A 4 -14.652 -4.220 3.335 1.00 5.34 H new ATOM 0 HZ2 TRP A 4 -18.693 -1.304 3.357 1.00 71.44 H new ATOM 0 HZ3 TRP A 4 -14.542 -1.913 4.184 1.00 1.23 H new ATOM 0 HH2 TRP A 4 -16.539 -0.479 4.202 1.00 65.41 H new ATOM 72 N THR A 5 -13.471 -7.441 0.606 1.00 61.10 N ATOM 73 CA THR A 5 -12.414 -8.428 0.474 1.00 72.34 C ATOM 74 C THR A 5 -11.448 -8.349 1.651 1.00 12.22 C ATOM 75 O THR A 5 -10.906 -7.284 1.949 1.00 65.03 O ATOM 76 CB THR A 5 -11.635 -8.226 -0.841 1.00 54.30 C ATOM 77 OG1 THR A 5 -12.556 -8.122 -1.935 1.00 41.11 O ATOM 78 CG2 THR A 5 -10.677 -9.384 -1.090 1.00 3.24 C ATOM 0 H THR A 5 -13.141 -6.485 0.740 1.00 61.10 H new ATOM 0 HA THR A 5 -12.883 -9.412 0.463 1.00 72.34 H new ATOM 0 HB THR A 5 -11.053 -7.308 -0.759 1.00 54.30 H new ATOM 0 HG1 THR A 5 -12.135 -8.464 -2.751 1.00 41.11 H new ATOM 0 HG21 THR A 5 -10.140 -9.217 -2.024 1.00 3.24 H new ATOM 0 HG22 THR A 5 -9.964 -9.450 -0.268 1.00 3.24 H new ATOM 0 HG23 THR A 5 -11.241 -10.315 -1.157 1.00 3.24 H new ATOM 86 N THR A 6 -11.262 -9.471 2.335 1.00 74.31 N ATOM 87 CA THR A 6 -10.313 -9.543 3.429 1.00 22.31 C ATOM 88 C THR A 6 -8.889 -9.398 2.907 1.00 3.32 C ATOM 89 O THR A 6 -8.436 -10.189 2.075 1.00 71.40 O ATOM 90 CB THR A 6 -10.442 -10.875 4.198 1.00 62.34 C ATOM 91 OG1 THR A 6 -11.793 -11.057 4.648 1.00 3.34 O ATOM 92 CG2 THR A 6 -9.503 -10.907 5.395 1.00 52.10 C ATOM 0 H THR A 6 -11.758 -10.342 2.148 1.00 74.31 H new ATOM 0 HA THR A 6 -10.537 -8.724 4.112 1.00 22.31 H new ATOM 0 HB THR A 6 -10.170 -11.683 3.518 1.00 62.34 H new ATOM 0 HG1 THR A 6 -11.865 -11.905 5.133 1.00 3.34 H new ATOM 0 HG21 THR A 6 -9.614 -11.856 5.919 1.00 52.10 H new ATOM 0 HG22 THR A 6 -8.474 -10.800 5.053 1.00 52.10 H new ATOM 0 HG23 THR A 6 -9.748 -10.088 6.071 1.00 52.10 H new ATOM 100 N VAL A 7 -8.202 -8.370 3.375 1.00 13.20 N ATOM 101 CA VAL A 7 -6.811 -8.151 3.007 1.00 45.14 C ATOM 102 C VAL A 7 -5.942 -9.244 3.614 1.00 42.14 C ATOM 103 O VAL A 7 -5.286 -10.007 2.903 1.00 54.54 O ATOM 104 CB VAL A 7 -6.313 -6.775 3.493 1.00 62.23 C ATOM 105 CG1 VAL A 7 -4.874 -6.545 3.074 1.00 62.34 C ATOM 106 CG2 VAL A 7 -7.204 -5.664 2.965 1.00 42.13 C ATOM 0 H VAL A 7 -8.585 -7.671 4.012 1.00 13.20 H new ATOM 0 HA VAL A 7 -6.741 -8.178 1.920 1.00 45.14 H new ATOM 0 HB VAL A 7 -6.359 -6.764 4.582 1.00 62.23 H new ATOM 0 HG11 VAL A 7 -4.544 -5.568 3.428 1.00 62.34 H new ATOM 0 HG12 VAL A 7 -4.241 -7.320 3.506 1.00 62.34 H new ATOM 0 HG13 VAL A 7 -4.801 -6.581 1.987 1.00 62.34 H new ATOM 0 HG21 VAL A 7 -6.835 -4.702 3.320 1.00 42.13 H new ATOM 0 HG22 VAL A 7 -7.194 -5.677 1.875 1.00 42.13 H new ATOM 0 HG23 VAL A 7 -8.223 -5.815 3.321 1.00 42.13 H new ATOM 116 N CYS A 8 -5.960 -9.304 4.936 1.00 55.54 N ATOM 117 CA CYS A 8 -5.255 -10.327 5.688 1.00 30.43 C ATOM 118 C CYS A 8 -5.634 -10.225 7.160 1.00 35.15 C ATOM 119 O CYS A 8 -6.625 -10.808 7.583 1.00 71.31 O ATOM 120 CB CYS A 8 -3.737 -10.206 5.495 1.00 54.02 C ATOM 121 SG CYS A 8 -3.104 -8.523 5.664 1.00 14.41 S ATOM 0 H CYS A 8 -6.468 -8.640 5.520 1.00 55.54 H new ATOM 0 HA CYS A 8 -5.549 -11.308 5.316 1.00 30.43 H new ATOM 0 HB2 CYS A 8 -3.237 -10.846 6.222 1.00 54.02 H new ATOM 0 HB3 CYS A 8 -3.476 -10.583 4.506 1.00 54.02 H new ATOM 0 HG CYS A 8 -2.554 -8.382 6.834 1.00 14.41 H new ATOM 127 N LYS A 9 -4.879 -9.443 7.925 1.00 53.43 N ATOM 128 CA LYS A 9 -5.180 -9.222 9.334 1.00 51.31 C ATOM 129 C LYS A 9 -4.813 -7.794 9.717 1.00 61.30 C ATOM 130 O LYS A 9 -4.185 -7.081 8.937 1.00 14.12 O ATOM 131 CB LYS A 9 -4.404 -10.190 10.235 1.00 73.03 C ATOM 132 CG LYS A 9 -4.550 -11.659 9.875 1.00 51.05 C ATOM 133 CD LYS A 9 -3.857 -12.540 10.901 1.00 33.04 C ATOM 134 CE LYS A 9 -3.649 -13.954 10.388 1.00 23.24 C ATOM 135 NZ LYS A 9 -2.727 -13.994 9.221 1.00 43.31 N ATOM 0 H LYS A 9 -4.051 -8.950 7.590 1.00 53.43 H new ATOM 0 HA LYS A 9 -6.247 -9.395 9.477 1.00 51.31 H new ATOM 0 HB2 LYS A 9 -3.347 -9.926 10.201 1.00 73.03 H new ATOM 0 HB3 LYS A 9 -4.735 -10.049 11.264 1.00 73.03 H new ATOM 0 HG2 LYS A 9 -5.607 -11.921 9.819 1.00 51.05 H new ATOM 0 HG3 LYS A 9 -4.125 -11.840 8.888 1.00 51.05 H new ATOM 0 HD2 LYS A 9 -2.893 -12.103 11.162 1.00 33.04 H new ATOM 0 HD3 LYS A 9 -4.451 -12.569 11.814 1.00 33.04 H new ATOM 0 HE2 LYS A 9 -3.247 -14.575 11.189 1.00 23.24 H new ATOM 0 HE3 LYS A 9 -4.611 -14.382 10.105 1.00 23.24 H new ATOM 0 HZ1 LYS A 9 -2.169 -14.871 9.249 1.00 43.31 H new ATOM 0 HZ2 LYS A 9 -3.280 -13.964 8.341 1.00 43.31 H new ATOM 0 HZ3 LYS A 9 -2.087 -13.175 9.256 1.00 43.31 H new ATOM 149 N LEU A 10 -5.206 -7.389 10.914 1.00 13.21 N ATOM 150 CA LEU A 10 -4.848 -6.079 11.445 1.00 55.43 C ATOM 151 C LEU A 10 -3.547 -6.165 12.243 1.00 24.14 C ATOM 152 O LEU A 10 -2.608 -5.407 12.013 1.00 35.35 O ATOM 153 CB LEU A 10 -5.972 -5.552 12.343 1.00 74.31 C ATOM 154 CG LEU A 10 -5.707 -4.189 12.985 1.00 13.24 C ATOM 155 CD1 LEU A 10 -5.675 -3.095 11.931 1.00 21.11 C ATOM 156 CD2 LEU A 10 -6.755 -3.890 14.043 1.00 74.03 C ATOM 0 H LEU A 10 -5.778 -7.953 11.543 1.00 13.21 H new ATOM 0 HA LEU A 10 -4.704 -5.393 10.610 1.00 55.43 H new ATOM 0 HB2 LEU A 10 -6.886 -5.486 11.753 1.00 74.31 H new ATOM 0 HB3 LEU A 10 -6.155 -6.279 13.134 1.00 74.31 H new ATOM 0 HG LEU A 10 -4.730 -4.219 13.468 1.00 13.24 H new ATOM 0 HD11 LEU A 10 -5.485 -2.134 12.409 1.00 21.11 H new ATOM 0 HD12 LEU A 10 -4.883 -3.305 11.212 1.00 21.11 H new ATOM 0 HD13 LEU A 10 -6.634 -3.060 11.414 1.00 21.11 H new ATOM 0 HD21 LEU A 10 -6.553 -2.917 14.491 1.00 74.03 H new ATOM 0 HD22 LEU A 10 -7.743 -3.880 13.583 1.00 74.03 H new ATOM 0 HD23 LEU A 10 -6.722 -4.659 14.815 1.00 74.03 H new ATOM 168 N ASP A 11 -3.493 -7.128 13.154 1.00 31.04 N ATOM 169 CA ASP A 11 -2.368 -7.275 14.076 1.00 75.35 C ATOM 170 C ASP A 11 -1.180 -7.909 13.376 1.00 53.42 C ATOM 171 O ASP A 11 -0.024 -7.632 13.699 1.00 44.55 O ATOM 172 CB ASP A 11 -2.783 -8.131 15.278 1.00 23.42 C ATOM 173 CG ASP A 11 -1.601 -8.598 16.110 1.00 12.52 C ATOM 174 OD1 ASP A 11 -0.999 -7.768 16.822 1.00 24.23 O ATOM 175 OD2 ASP A 11 -1.264 -9.800 16.047 1.00 74.12 O ATOM 0 H ASP A 11 -4.224 -7.829 13.277 1.00 31.04 H new ATOM 0 HA ASP A 11 -2.077 -6.284 14.424 1.00 75.35 H new ATOM 0 HB2 ASP A 11 -3.461 -7.556 15.910 1.00 23.42 H new ATOM 0 HB3 ASP A 11 -3.337 -9.000 14.924 1.00 23.42 H new ATOM 180 N ASP A 12 -1.481 -8.740 12.394 1.00 15.22 N ATOM 181 CA ASP A 12 -0.456 -9.475 11.670 1.00 22.11 C ATOM 182 C ASP A 12 0.321 -8.537 10.754 1.00 0.34 C ATOM 183 O ASP A 12 1.389 -8.883 10.245 1.00 65.41 O ATOM 184 CB ASP A 12 -1.101 -10.601 10.869 1.00 12.01 C ATOM 185 CG ASP A 12 -0.130 -11.699 10.495 1.00 5.10 C ATOM 186 OD1 ASP A 12 0.972 -11.746 11.084 1.00 55.22 O ATOM 187 OD2 ASP A 12 -0.474 -12.522 9.619 1.00 75.44 O ATOM 0 H ASP A 12 -2.433 -8.924 12.077 1.00 15.22 H new ATOM 0 HA ASP A 12 0.245 -9.909 12.383 1.00 22.11 H new ATOM 0 HB2 ASP A 12 -1.918 -11.030 11.450 1.00 12.01 H new ATOM 0 HB3 ASP A 12 -1.539 -10.187 9.961 1.00 12.01 H new ATOM 192 N ILE A 13 -0.222 -7.341 10.556 1.00 74.21 N ATOM 193 CA ILE A 13 0.461 -6.314 9.783 1.00 31.03 C ATOM 194 C ILE A 13 1.361 -5.492 10.698 1.00 5.23 C ATOM 195 O ILE A 13 0.885 -4.843 11.626 1.00 22.42 O ATOM 196 CB ILE A 13 -0.533 -5.383 9.055 1.00 14.23 C ATOM 197 CG1 ILE A 13 -1.302 -6.163 7.987 1.00 62.13 C ATOM 198 CG2 ILE A 13 0.190 -4.197 8.426 1.00 71.32 C ATOM 199 CD1 ILE A 13 -0.412 -6.793 6.932 1.00 32.11 C ATOM 0 H ILE A 13 -1.132 -7.060 10.920 1.00 74.21 H new ATOM 0 HA ILE A 13 1.061 -6.816 9.024 1.00 31.03 H new ATOM 0 HB ILE A 13 -1.240 -4.998 9.790 1.00 14.23 H new ATOM 0 HG12 ILE A 13 -1.886 -6.946 8.471 1.00 62.13 H new ATOM 0 HG13 ILE A 13 -2.010 -5.493 7.499 1.00 62.13 H new ATOM 0 HG21 ILE A 13 -0.533 -3.557 7.920 1.00 71.32 H new ATOM 0 HG22 ILE A 13 0.698 -3.626 9.204 1.00 71.32 H new ATOM 0 HG23 ILE A 13 0.923 -4.559 7.704 1.00 71.32 H new ATOM 0 HD11 ILE A 13 -1.028 -7.329 6.209 1.00 32.11 H new ATOM 0 HD12 ILE A 13 0.153 -6.014 6.420 1.00 32.11 H new ATOM 0 HD13 ILE A 13 0.279 -7.489 7.407 1.00 32.11 H new ATOM 211 N LEU A 14 2.658 -5.537 10.434 1.00 64.21 N ATOM 212 CA LEU A 14 3.636 -4.838 11.255 1.00 13.12 C ATOM 213 C LEU A 14 3.396 -3.330 11.235 1.00 74.23 C ATOM 214 O LEU A 14 3.361 -2.710 10.169 1.00 62.24 O ATOM 215 CB LEU A 14 5.052 -5.152 10.767 1.00 4.31 C ATOM 216 CG LEU A 14 5.449 -6.630 10.822 1.00 32.24 C ATOM 217 CD1 LEU A 14 6.856 -6.824 10.283 1.00 2.32 C ATOM 218 CD2 LEU A 14 5.344 -7.163 12.244 1.00 24.03 C ATOM 0 H LEU A 14 3.060 -6.054 9.652 1.00 64.21 H new ATOM 0 HA LEU A 14 3.526 -5.184 12.283 1.00 13.12 H new ATOM 0 HB2 LEU A 14 5.150 -4.804 9.739 1.00 4.31 H new ATOM 0 HB3 LEU A 14 5.761 -4.580 11.366 1.00 4.31 H new ATOM 0 HG LEU A 14 4.758 -7.193 10.194 1.00 32.24 H new ATOM 0 HD11 LEU A 14 7.121 -7.880 10.330 1.00 2.32 H new ATOM 0 HD12 LEU A 14 6.899 -6.485 9.248 1.00 2.32 H new ATOM 0 HD13 LEU A 14 7.559 -6.247 10.884 1.00 2.32 H new ATOM 0 HD21 LEU A 14 5.630 -8.215 12.260 1.00 24.03 H new ATOM 0 HD22 LEU A 14 6.009 -6.596 12.895 1.00 24.03 H new ATOM 0 HD23 LEU A 14 4.317 -7.061 12.596 1.00 24.03 H new ATOM 230 N PRO A 15 3.210 -2.726 12.419 1.00 31.14 N ATOM 231 CA PRO A 15 2.965 -1.290 12.540 1.00 31.04 C ATOM 232 C PRO A 15 4.172 -0.468 12.097 1.00 32.21 C ATOM 233 O PRO A 15 5.318 -0.884 12.270 1.00 51.44 O ATOM 234 CB PRO A 15 2.681 -1.095 14.030 1.00 13.35 C ATOM 235 CG PRO A 15 3.318 -2.261 14.703 1.00 15.42 C ATOM 236 CD PRO A 15 3.227 -3.401 13.728 1.00 54.51 C ATOM 0 HA PRO A 15 2.146 -0.955 11.903 1.00 31.04 H new ATOM 0 HB2 PRO A 15 3.099 -0.155 14.391 1.00 13.35 H new ATOM 0 HB3 PRO A 15 1.609 -1.064 14.226 1.00 13.35 H new ATOM 0 HG2 PRO A 15 4.356 -2.046 14.957 1.00 15.42 H new ATOM 0 HG3 PRO A 15 2.806 -2.502 15.634 1.00 15.42 H new ATOM 0 HD2 PRO A 15 4.076 -4.078 13.820 1.00 54.51 H new ATOM 0 HD3 PRO A 15 2.327 -3.995 13.886 1.00 54.51 H new ATOM 244 N GLY A 16 3.903 0.688 11.513 1.00 3.12 N ATOM 245 CA GLY A 16 4.956 1.515 10.972 1.00 0.42 C ATOM 246 C GLY A 16 5.374 1.048 9.595 1.00 10.30 C ATOM 247 O GLY A 16 6.527 1.215 9.199 1.00 45.30 O ATOM 0 H GLY A 16 2.964 1.070 11.404 1.00 3.12 H new ATOM 0 HA2 GLY A 16 4.617 2.550 10.919 1.00 0.42 H new ATOM 0 HA3 GLY A 16 5.816 1.495 11.641 1.00 0.42 H new ATOM 251 N THR A 17 4.431 0.466 8.855 1.00 52.34 N ATOM 252 CA THR A 17 4.750 -0.126 7.560 1.00 11.55 C ATOM 253 C THR A 17 3.567 -0.007 6.598 1.00 74.10 C ATOM 254 O THR A 17 2.482 0.431 6.985 1.00 54.25 O ATOM 255 CB THR A 17 5.127 -1.618 7.708 1.00 14.32 C ATOM 256 OG1 THR A 17 5.792 -1.839 8.960 1.00 54.04 O ATOM 257 CG2 THR A 17 6.041 -2.071 6.578 1.00 22.03 C ATOM 0 H THR A 17 3.451 0.393 9.127 1.00 52.34 H new ATOM 0 HA THR A 17 5.602 0.422 7.157 1.00 11.55 H new ATOM 0 HB THR A 17 4.204 -2.196 7.669 1.00 14.32 H new ATOM 0 HG1 THR A 17 5.143 -2.152 9.624 1.00 54.04 H new ATOM 0 HG21 THR A 17 6.288 -3.124 6.710 1.00 22.03 H new ATOM 0 HG22 THR A 17 5.534 -1.934 5.623 1.00 22.03 H new ATOM 0 HG23 THR A 17 6.956 -1.479 6.591 1.00 22.03 H new ATOM 265 N GLY A 18 3.791 -0.406 5.353 1.00 60.05 N ATOM 266 CA GLY A 18 2.752 -0.397 4.345 1.00 0.13 C ATOM 267 C GLY A 18 3.123 -1.295 3.187 1.00 74.41 C ATOM 268 O GLY A 18 4.028 -0.970 2.416 1.00 75.35 O ATOM 0 H GLY A 18 4.694 -0.742 5.020 1.00 60.05 H new ATOM 0 HA2 GLY A 18 1.811 -0.730 4.783 1.00 0.13 H new ATOM 0 HA3 GLY A 18 2.595 0.620 3.987 1.00 0.13 H new ATOM 272 N VAL A 19 2.454 -2.439 3.070 1.00 51.53 N ATOM 273 CA VAL A 19 2.825 -3.431 2.064 1.00 2.12 C ATOM 274 C VAL A 19 1.658 -3.804 1.157 1.00 52.31 C ATOM 275 O VAL A 19 0.492 -3.671 1.538 1.00 63.21 O ATOM 276 CB VAL A 19 3.408 -4.713 2.704 1.00 65.45 C ATOM 277 CG1 VAL A 19 4.729 -4.415 3.399 1.00 25.34 C ATOM 278 CG2 VAL A 19 2.417 -5.334 3.680 1.00 32.44 C ATOM 0 H VAL A 19 1.659 -2.701 3.653 1.00 51.53 H new ATOM 0 HA VAL A 19 3.596 -2.958 1.455 1.00 2.12 H new ATOM 0 HB VAL A 19 3.594 -5.432 1.907 1.00 65.45 H new ATOM 0 HG11 VAL A 19 5.122 -5.330 3.842 1.00 25.34 H new ATOM 0 HG12 VAL A 19 5.443 -4.028 2.672 1.00 25.34 H new ATOM 0 HG13 VAL A 19 4.569 -3.673 4.181 1.00 25.34 H new ATOM 0 HG21 VAL A 19 2.851 -6.234 4.116 1.00 32.44 H new ATOM 0 HG22 VAL A 19 2.190 -4.620 4.472 1.00 32.44 H new ATOM 0 HG23 VAL A 19 1.500 -5.593 3.151 1.00 32.44 H new ATOM 288 N CYS A 20 1.990 -4.242 -0.057 1.00 63.01 N ATOM 289 CA CYS A 20 0.998 -4.704 -1.014 1.00 51.23 C ATOM 290 C CYS A 20 0.559 -6.136 -0.710 1.00 73.24 C ATOM 291 O CYS A 20 1.369 -7.065 -0.732 1.00 63.04 O ATOM 292 CB CYS A 20 1.573 -4.617 -2.428 1.00 10.02 C ATOM 293 SG CYS A 20 3.243 -5.298 -2.580 1.00 4.44 S ATOM 0 H CYS A 20 2.950 -4.285 -0.399 1.00 63.01 H new ATOM 0 HA CYS A 20 0.119 -4.063 -0.937 1.00 51.23 H new ATOM 0 HB2 CYS A 20 0.911 -5.147 -3.113 1.00 10.02 H new ATOM 0 HB3 CYS A 20 1.586 -3.573 -2.741 1.00 10.02 H new ATOM 0 HG CYS A 20 3.330 -6.392 -1.884 1.00 4.44 H new ATOM 299 N ALA A 21 -0.720 -6.304 -0.419 1.00 71.45 N ATOM 300 CA ALA A 21 -1.283 -7.621 -0.157 1.00 60.02 C ATOM 301 C ALA A 21 -1.984 -8.154 -1.399 1.00 3.15 C ATOM 302 O ALA A 21 -2.187 -7.416 -2.368 1.00 14.32 O ATOM 303 CB ALA A 21 -2.244 -7.564 1.018 1.00 55.44 C ATOM 0 H ALA A 21 -1.393 -5.540 -0.358 1.00 71.45 H new ATOM 0 HA ALA A 21 -0.471 -8.302 0.098 1.00 60.02 H new ATOM 0 HB1 ALA A 21 -2.656 -8.557 1.200 1.00 55.44 H new ATOM 0 HB2 ALA A 21 -1.713 -7.223 1.906 1.00 55.44 H new ATOM 0 HB3 ALA A 21 -3.055 -6.871 0.792 1.00 55.44 H new ATOM 309 N LEU A 22 -2.362 -9.427 -1.365 1.00 11.20 N ATOM 310 CA LEU A 22 -2.961 -10.082 -2.519 1.00 22.52 C ATOM 311 C LEU A 22 -4.483 -9.974 -2.475 1.00 53.11 C ATOM 312 O LEU A 22 -5.134 -10.472 -1.551 1.00 54.33 O ATOM 313 CB LEU A 22 -2.513 -11.557 -2.570 1.00 31.43 C ATOM 314 CG LEU A 22 -2.777 -12.320 -3.884 1.00 72.11 C ATOM 315 CD1 LEU A 22 -4.244 -12.695 -4.029 1.00 10.10 C ATOM 316 CD2 LEU A 22 -2.312 -11.500 -5.079 1.00 14.35 C ATOM 0 H LEU A 22 -2.263 -10.027 -0.546 1.00 11.20 H new ATOM 0 HA LEU A 22 -2.622 -9.581 -3.426 1.00 22.52 H new ATOM 0 HB2 LEU A 22 -1.443 -11.594 -2.365 1.00 31.43 H new ATOM 0 HB3 LEU A 22 -3.011 -12.091 -1.761 1.00 31.43 H new ATOM 0 HG LEU A 22 -2.203 -13.246 -3.851 1.00 72.11 H new ATOM 0 HD11 LEU A 22 -4.392 -13.231 -4.967 1.00 10.10 H new ATOM 0 HD12 LEU A 22 -4.541 -13.332 -3.196 1.00 10.10 H new ATOM 0 HD13 LEU A 22 -4.852 -11.791 -4.029 1.00 10.10 H new ATOM 0 HD21 LEU A 22 -2.506 -12.054 -5.998 1.00 14.35 H new ATOM 0 HD22 LEU A 22 -2.853 -10.554 -5.104 1.00 14.35 H new ATOM 0 HD23 LEU A 22 -1.243 -11.304 -4.992 1.00 14.35 H new ATOM 328 N VAL A 23 -5.034 -9.305 -3.475 1.00 13.20 N ATOM 329 CA VAL A 23 -6.475 -9.230 -3.670 1.00 32.35 C ATOM 330 C VAL A 23 -6.796 -9.715 -5.083 1.00 61.40 C ATOM 331 O VAL A 23 -5.943 -9.628 -5.964 1.00 14.00 O ATOM 332 CB VAL A 23 -7.006 -7.789 -3.454 1.00 33.44 C ATOM 333 CG1 VAL A 23 -8.515 -7.710 -3.645 1.00 73.04 C ATOM 334 CG2 VAL A 23 -6.630 -7.284 -2.071 1.00 1.44 C ATOM 0 H VAL A 23 -4.495 -8.797 -4.176 1.00 13.20 H new ATOM 0 HA VAL A 23 -6.969 -9.863 -2.933 1.00 32.35 H new ATOM 0 HB VAL A 23 -6.539 -7.154 -4.206 1.00 33.44 H new ATOM 0 HG11 VAL A 23 -8.849 -6.685 -3.485 1.00 73.04 H new ATOM 0 HG12 VAL A 23 -8.770 -8.021 -4.658 1.00 73.04 H new ATOM 0 HG13 VAL A 23 -9.007 -8.368 -2.929 1.00 73.04 H new ATOM 0 HG21 VAL A 23 -7.011 -6.271 -1.937 1.00 1.44 H new ATOM 0 HG22 VAL A 23 -7.064 -7.938 -1.314 1.00 1.44 H new ATOM 0 HG23 VAL A 23 -5.545 -7.280 -1.968 1.00 1.44 H new ATOM 344 N GLU A 24 -8.014 -10.222 -5.281 1.00 71.24 N ATOM 345 CA GLU A 24 -8.417 -10.873 -6.535 1.00 62.44 C ATOM 346 C GLU A 24 -7.999 -10.093 -7.785 1.00 33.13 C ATOM 347 O GLU A 24 -7.440 -10.659 -8.722 1.00 51.33 O ATOM 348 CB GLU A 24 -9.938 -11.051 -6.569 1.00 4.24 C ATOM 349 CG GLU A 24 -10.504 -11.868 -5.421 1.00 72.33 C ATOM 350 CD GLU A 24 -12.011 -12.028 -5.527 1.00 73.52 C ATOM 351 OE1 GLU A 24 -12.743 -11.142 -5.046 1.00 11.41 O ATOM 352 OE2 GLU A 24 -12.468 -13.036 -6.104 1.00 23.04 O ATOM 0 H GLU A 24 -8.752 -10.194 -4.577 1.00 71.24 H new ATOM 0 HA GLU A 24 -7.904 -11.835 -6.552 1.00 62.44 H new ATOM 0 HB2 GLU A 24 -10.406 -10.067 -6.563 1.00 4.24 H new ATOM 0 HB3 GLU A 24 -10.214 -11.529 -7.509 1.00 4.24 H new ATOM 0 HG2 GLU A 24 -10.035 -12.852 -5.410 1.00 72.33 H new ATOM 0 HG3 GLU A 24 -10.256 -11.386 -4.476 1.00 72.33 H new ATOM 359 N GLN A 25 -8.274 -8.796 -7.795 1.00 32.33 N ATOM 360 CA GLN A 25 -8.172 -8.014 -9.023 1.00 63.34 C ATOM 361 C GLN A 25 -7.078 -6.952 -8.972 1.00 71.32 C ATOM 362 O GLN A 25 -6.820 -6.279 -9.971 1.00 34.04 O ATOM 363 CB GLN A 25 -9.518 -7.349 -9.308 1.00 40.12 C ATOM 364 CG GLN A 25 -10.046 -6.534 -8.133 1.00 51.04 C ATOM 365 CD GLN A 25 -11.423 -5.959 -8.391 1.00 14.33 C ATOM 366 OE1 GLN A 25 -11.561 -4.845 -8.892 1.00 51.24 O ATOM 367 NE2 GLN A 25 -12.456 -6.716 -8.048 1.00 64.03 N ATOM 0 H GLN A 25 -8.567 -8.265 -6.975 1.00 32.33 H new ATOM 0 HA GLN A 25 -7.901 -8.705 -9.821 1.00 63.34 H new ATOM 0 HB2 GLN A 25 -9.418 -6.699 -10.177 1.00 40.12 H new ATOM 0 HB3 GLN A 25 -10.248 -8.116 -9.567 1.00 40.12 H new ATOM 0 HG2 GLN A 25 -10.081 -7.165 -7.245 1.00 51.04 H new ATOM 0 HG3 GLN A 25 -9.352 -5.721 -7.919 1.00 51.04 H new ATOM 0 HE21 GLN A 25 -12.300 -7.635 -7.635 1.00 64.03 H new ATOM 0 HE22 GLN A 25 -13.407 -6.379 -8.197 1.00 64.03 H new ATOM 376 N GLN A 26 -6.431 -6.797 -7.825 1.00 21.43 N ATOM 377 CA GLN A 26 -5.473 -5.714 -7.649 1.00 63.30 C ATOM 378 C GLN A 26 -4.735 -5.864 -6.326 1.00 3.02 C ATOM 379 O GLN A 26 -5.313 -6.308 -5.339 1.00 50.33 O ATOM 380 CB GLN A 26 -6.213 -4.371 -7.691 1.00 5.20 C ATOM 381 CG GLN A 26 -5.309 -3.148 -7.636 1.00 5.43 C ATOM 382 CD GLN A 26 -6.074 -1.851 -7.837 1.00 0.34 C ATOM 383 OE1 GLN A 26 -5.541 -0.876 -8.367 1.00 13.22 O ATOM 384 NE2 GLN A 26 -7.332 -1.830 -7.421 1.00 32.35 N ATOM 0 H GLN A 26 -6.550 -7.400 -7.011 1.00 21.43 H new ATOM 0 HA GLN A 26 -4.740 -5.751 -8.455 1.00 63.30 H new ATOM 0 HB2 GLN A 26 -6.807 -4.327 -8.604 1.00 5.20 H new ATOM 0 HB3 GLN A 26 -6.910 -4.329 -6.854 1.00 5.20 H new ATOM 0 HG2 GLN A 26 -4.799 -3.120 -6.673 1.00 5.43 H new ATOM 0 HG3 GLN A 26 -4.539 -3.235 -8.402 1.00 5.43 H new ATOM 0 HE21 GLN A 26 -7.739 -2.658 -6.986 1.00 32.35 H new ATOM 0 HE22 GLN A 26 -7.893 -0.986 -7.536 1.00 32.35 H new ATOM 393 N GLN A 27 -3.454 -5.517 -6.317 1.00 61.22 N ATOM 394 CA GLN A 27 -2.687 -5.488 -5.080 1.00 3.14 C ATOM 395 C GLN A 27 -3.072 -4.253 -4.279 1.00 24.44 C ATOM 396 O GLN A 27 -3.244 -3.170 -4.839 1.00 13.53 O ATOM 397 CB GLN A 27 -1.180 -5.489 -5.364 1.00 42.32 C ATOM 398 CG GLN A 27 -0.686 -6.745 -6.065 1.00 34.01 C ATOM 399 CD GLN A 27 0.820 -6.752 -6.248 1.00 2.34 C ATOM 400 OE1 GLN A 27 1.339 -6.271 -7.253 1.00 54.34 O ATOM 401 NE2 GLN A 27 1.528 -7.300 -5.272 1.00 73.52 N ATOM 0 H GLN A 27 -2.927 -5.253 -7.149 1.00 61.22 H new ATOM 0 HA GLN A 27 -2.917 -6.384 -4.504 1.00 3.14 H new ATOM 0 HB2 GLN A 27 -0.935 -4.622 -5.978 1.00 42.32 H new ATOM 0 HB3 GLN A 27 -0.643 -5.375 -4.423 1.00 42.32 H new ATOM 0 HG2 GLN A 27 -0.983 -7.620 -5.488 1.00 34.01 H new ATOM 0 HG3 GLN A 27 -1.168 -6.827 -7.039 1.00 34.01 H new ATOM 0 HE21 GLN A 27 1.056 -7.688 -4.455 1.00 73.52 H new ATOM 0 HE22 GLN A 27 2.545 -7.334 -5.337 1.00 73.52 H new ATOM 410 N ILE A 28 -3.234 -4.416 -2.980 1.00 52.23 N ATOM 411 CA ILE A 28 -3.651 -3.321 -2.131 1.00 61.54 C ATOM 412 C ILE A 28 -2.554 -2.974 -1.129 1.00 15.25 C ATOM 413 O ILE A 28 -1.908 -3.863 -0.573 1.00 21.04 O ATOM 414 CB ILE A 28 -4.969 -3.675 -1.405 1.00 14.21 C ATOM 415 CG1 ILE A 28 -5.527 -2.447 -0.704 1.00 22.03 C ATOM 416 CG2 ILE A 28 -4.763 -4.811 -0.411 1.00 43.42 C ATOM 417 CD1 ILE A 28 -6.938 -2.630 -0.190 1.00 32.32 C ATOM 0 H ILE A 28 -3.083 -5.298 -2.491 1.00 52.23 H new ATOM 0 HA ILE A 28 -3.830 -2.445 -2.754 1.00 61.54 H new ATOM 0 HB ILE A 28 -5.688 -4.012 -2.151 1.00 14.21 H new ATOM 0 HG12 ILE A 28 -4.876 -2.189 0.131 1.00 22.03 H new ATOM 0 HG13 ILE A 28 -5.508 -1.605 -1.395 1.00 22.03 H new ATOM 0 HG21 ILE A 28 -5.707 -5.037 0.084 1.00 43.42 H new ATOM 0 HG22 ILE A 28 -4.409 -5.696 -0.939 1.00 43.42 H new ATOM 0 HG23 ILE A 28 -4.025 -4.513 0.334 1.00 43.42 H new ATOM 0 HD11 ILE A 28 -7.269 -1.713 0.298 1.00 32.32 H new ATOM 0 HD12 ILE A 28 -7.602 -2.858 -1.024 1.00 32.32 H new ATOM 0 HD13 ILE A 28 -6.961 -3.451 0.527 1.00 32.32 H new ATOM 429 N ALA A 29 -2.331 -1.684 -0.922 1.00 13.04 N ATOM 430 CA ALA A 29 -1.307 -1.225 0.006 1.00 54.14 C ATOM 431 C ALA A 29 -1.927 -0.889 1.349 1.00 72.20 C ATOM 432 O ALA A 29 -2.858 -0.086 1.425 1.00 51.31 O ATOM 433 CB ALA A 29 -0.582 -0.016 -0.559 1.00 54.44 C ATOM 0 H ALA A 29 -2.846 -0.935 -1.385 1.00 13.04 H new ATOM 0 HA ALA A 29 -0.582 -2.027 0.148 1.00 54.14 H new ATOM 0 HB1 ALA A 29 0.180 0.314 0.147 1.00 54.44 H new ATOM 0 HB2 ALA A 29 -0.109 -0.284 -1.504 1.00 54.44 H new ATOM 0 HB3 ALA A 29 -1.296 0.791 -0.726 1.00 54.44 H new ATOM 439 N VAL A 30 -1.416 -1.502 2.402 1.00 4.42 N ATOM 440 CA VAL A 30 -1.983 -1.314 3.730 1.00 41.31 C ATOM 441 C VAL A 30 -1.085 -0.433 4.585 1.00 74.32 C ATOM 442 O VAL A 30 -0.086 -0.893 5.136 1.00 35.41 O ATOM 443 CB VAL A 30 -2.206 -2.662 4.447 1.00 43.34 C ATOM 444 CG1 VAL A 30 -2.917 -2.463 5.779 1.00 20.32 C ATOM 445 CG2 VAL A 30 -2.986 -3.616 3.558 1.00 5.55 C ATOM 0 H VAL A 30 -0.614 -2.131 2.367 1.00 4.42 H new ATOM 0 HA VAL A 30 -2.948 -0.825 3.597 1.00 41.31 H new ATOM 0 HB VAL A 30 -1.230 -3.102 4.652 1.00 43.34 H new ATOM 0 HG11 VAL A 30 -3.061 -3.429 6.262 1.00 20.32 H new ATOM 0 HG12 VAL A 30 -2.313 -1.822 6.422 1.00 20.32 H new ATOM 0 HG13 VAL A 30 -3.886 -1.995 5.608 1.00 20.32 H new ATOM 0 HG21 VAL A 30 -3.134 -4.561 4.080 1.00 5.55 H new ATOM 0 HG22 VAL A 30 -3.955 -3.179 3.317 1.00 5.55 H new ATOM 0 HG23 VAL A 30 -2.429 -3.793 2.638 1.00 5.55 H new ATOM 455 N PHE A 31 -1.447 0.837 4.674 1.00 14.43 N ATOM 456 CA PHE A 31 -0.726 1.785 5.505 1.00 52.34 C ATOM 457 C PHE A 31 -1.048 1.566 6.977 1.00 12.31 C ATOM 458 O PHE A 31 -2.184 1.767 7.401 1.00 50.23 O ATOM 459 CB PHE A 31 -1.101 3.230 5.149 1.00 11.53 C ATOM 460 CG PHE A 31 -0.657 3.697 3.794 1.00 33.34 C ATOM 461 CD1 PHE A 31 -1.333 3.307 2.652 1.00 42.31 C ATOM 462 CD2 PHE A 31 0.426 4.550 3.668 1.00 34.30 C ATOM 463 CE1 PHE A 31 -0.937 3.756 1.409 1.00 31.50 C ATOM 464 CE2 PHE A 31 0.824 5.007 2.429 1.00 50.13 C ATOM 465 CZ PHE A 31 0.144 4.609 1.298 1.00 34.51 C ATOM 0 H PHE A 31 -2.243 1.236 4.176 1.00 14.43 H new ATOM 0 HA PHE A 31 0.337 1.623 5.324 1.00 52.34 H new ATOM 0 HB2 PHE A 31 -2.184 3.332 5.212 1.00 11.53 H new ATOM 0 HB3 PHE A 31 -0.674 3.894 5.901 1.00 11.53 H new ATOM 0 HD1 PHE A 31 -2.181 2.643 2.734 1.00 42.31 H new ATOM 0 HD2 PHE A 31 0.966 4.861 4.550 1.00 34.30 H new ATOM 0 HE1 PHE A 31 -1.471 3.441 0.525 1.00 31.50 H new ATOM 0 HE2 PHE A 31 1.668 5.676 2.345 1.00 50.13 H new ATOM 0 HZ PHE A 31 0.456 4.963 0.327 1.00 34.51 H new ATOM 475 N ARG A 32 -0.068 1.147 7.750 1.00 1.24 N ATOM 476 CA ARG A 32 -0.207 1.160 9.193 1.00 61.12 C ATOM 477 C ARG A 32 0.854 2.076 9.771 1.00 12.14 C ATOM 478 O ARG A 32 1.916 1.624 10.170 1.00 42.04 O ATOM 479 CB ARG A 32 -0.108 -0.247 9.800 1.00 55.22 C ATOM 480 CG ARG A 32 -0.588 -0.294 11.245 1.00 24.21 C ATOM 481 CD ARG A 32 -0.610 -1.709 11.806 1.00 42.30 C ATOM 482 NE ARG A 32 -1.264 -1.750 13.115 1.00 60.05 N ATOM 483 CZ ARG A 32 -1.230 -2.793 13.949 1.00 42.35 C ATOM 484 NH1 ARG A 32 -0.554 -3.890 13.641 1.00 71.32 N ATOM 485 NH2 ARG A 32 -1.880 -2.732 15.101 1.00 71.54 N ATOM 0 H ARG A 32 0.827 0.796 7.408 1.00 1.24 H new ATOM 0 HA ARG A 32 -1.200 1.531 9.446 1.00 61.12 H new ATOM 0 HB2 ARG A 32 -0.699 -0.940 9.201 1.00 55.22 H new ATOM 0 HB3 ARG A 32 0.926 -0.588 9.753 1.00 55.22 H new ATOM 0 HG2 ARG A 32 0.062 0.328 11.861 1.00 24.21 H new ATOM 0 HG3 ARG A 32 -1.589 0.133 11.306 1.00 24.21 H new ATOM 0 HD2 ARG A 32 -1.133 -2.369 11.114 1.00 42.30 H new ATOM 0 HD3 ARG A 32 0.410 -2.084 11.894 1.00 42.30 H new ATOM 0 HE ARG A 32 -1.783 -0.923 13.411 1.00 60.05 H new ATOM 0 HH11 ARG A 32 -0.050 -3.947 12.756 1.00 71.32 H new ATOM 0 HH12 ARG A 32 -0.538 -4.678 14.289 1.00 71.32 H new ATOM 0 HH21 ARG A 32 -2.403 -1.892 15.348 1.00 71.54 H new ATOM 0 HH22 ARG A 32 -1.858 -3.525 15.742 1.00 71.54 H new ATOM 499 N PRO A 33 0.588 3.392 9.785 1.00 50.11 N ATOM 500 CA PRO A 33 1.582 4.396 10.167 1.00 25.42 C ATOM 501 C PRO A 33 1.894 4.378 11.653 1.00 72.21 C ATOM 502 O PRO A 33 3.017 4.665 12.062 1.00 40.23 O ATOM 503 CB PRO A 33 0.930 5.733 9.778 1.00 53.30 C ATOM 504 CG PRO A 33 -0.278 5.378 8.972 1.00 64.32 C ATOM 505 CD PRO A 33 -0.694 4.011 9.429 1.00 63.51 C ATOM 0 HA PRO A 33 2.536 4.213 9.673 1.00 25.42 H new ATOM 0 HB2 PRO A 33 0.655 6.306 10.663 1.00 53.30 H new ATOM 0 HB3 PRO A 33 1.618 6.350 9.200 1.00 53.30 H new ATOM 0 HG2 PRO A 33 -1.078 6.102 9.129 1.00 64.32 H new ATOM 0 HG3 PRO A 33 -0.050 5.380 7.906 1.00 64.32 H new ATOM 0 HD2 PRO A 33 -1.373 4.057 10.280 1.00 63.51 H new ATOM 0 HD3 PRO A 33 -1.207 3.458 8.642 1.00 63.51 H new ATOM 513 N ARG A 34 0.905 4.030 12.459 1.00 52.43 N ATOM 514 CA ARG A 34 1.071 4.046 13.902 1.00 74.31 C ATOM 515 C ARG A 34 0.809 2.658 14.480 1.00 63.33 C ATOM 516 O ARG A 34 0.491 1.721 13.746 1.00 23.45 O ATOM 517 CB ARG A 34 0.131 5.075 14.537 1.00 64.41 C ATOM 518 CG ARG A 34 0.226 6.465 13.923 1.00 31.50 C ATOM 519 CD ARG A 34 -0.622 7.474 14.686 1.00 15.54 C ATOM 520 NE ARG A 34 -1.972 6.973 14.933 1.00 43.15 N ATOM 521 CZ ARG A 34 -3.078 7.708 14.861 1.00 75.13 C ATOM 522 NH1 ARG A 34 -3.005 9.010 14.593 1.00 14.34 N ATOM 523 NH2 ARG A 34 -4.259 7.143 15.084 1.00 70.23 N ATOM 0 H ARG A 34 -0.018 3.734 12.140 1.00 52.43 H new ATOM 0 HA ARG A 34 2.098 4.330 14.130 1.00 74.31 H new ATOM 0 HB2 ARG A 34 -0.895 4.719 14.446 1.00 64.41 H new ATOM 0 HB3 ARG A 34 0.351 5.144 15.602 1.00 64.41 H new ATOM 0 HG2 ARG A 34 1.266 6.792 13.920 1.00 31.50 H new ATOM 0 HG3 ARG A 34 -0.100 6.427 12.883 1.00 31.50 H new ATOM 0 HD2 ARG A 34 -0.142 7.707 15.636 1.00 15.54 H new ATOM 0 HD3 ARG A 34 -0.677 8.404 14.120 1.00 15.54 H new ATOM 0 HE ARG A 34 -2.074 5.988 15.178 1.00 43.15 H new ATOM 0 HH11 ARG A 34 -2.097 9.449 14.441 1.00 14.34 H new ATOM 0 HH12 ARG A 34 -3.857 9.568 14.539 1.00 14.34 H new ATOM 0 HH21 ARG A 34 -4.315 6.150 15.309 1.00 70.23 H new ATOM 0 HH22 ARG A 34 -5.110 7.702 15.030 1.00 70.23 H new ATOM 537 N ASN A 35 0.923 2.538 15.796 1.00 23.12 N ATOM 538 CA ASN A 35 0.764 1.253 16.475 1.00 42.34 C ATOM 539 C ASN A 35 -0.676 1.059 16.942 1.00 11.04 C ATOM 540 O ASN A 35 -0.944 0.286 17.867 1.00 33.32 O ATOM 541 CB ASN A 35 1.704 1.175 17.682 1.00 74.41 C ATOM 542 CG ASN A 35 3.166 1.282 17.300 1.00 14.21 C ATOM 543 OD1 ASN A 35 3.570 0.896 16.206 1.00 33.44 O ATOM 544 ND2 ASN A 35 3.974 1.804 18.207 1.00 31.10 N ATOM 0 H ASN A 35 1.126 3.319 16.420 1.00 23.12 H new ATOM 0 HA ASN A 35 1.013 0.464 15.766 1.00 42.34 H new ATOM 0 HB2 ASN A 35 1.457 1.975 18.380 1.00 74.41 H new ATOM 0 HB3 ASN A 35 1.538 0.233 18.204 1.00 74.41 H new ATOM 0 HD21 ASN A 35 4.970 1.897 18.009 1.00 31.10 H new ATOM 0 HD22 ASN A 35 3.601 2.113 19.105 1.00 31.10 H new ATOM 551 N ASP A 36 -1.602 1.747 16.286 1.00 62.13 N ATOM 552 CA ASP A 36 -3.005 1.714 16.681 1.00 43.02 C ATOM 553 C ASP A 36 -3.742 0.562 16.017 1.00 71.44 C ATOM 554 O ASP A 36 -3.149 -0.259 15.312 1.00 25.52 O ATOM 555 CB ASP A 36 -3.705 3.032 16.334 1.00 64.20 C ATOM 556 CG ASP A 36 -3.112 4.219 17.056 1.00 1.22 C ATOM 557 OD1 ASP A 36 -3.522 4.494 18.202 1.00 51.03 O ATOM 558 OD2 ASP A 36 -2.238 4.885 16.475 1.00 64.33 O ATOM 0 H ASP A 36 -1.406 2.336 15.476 1.00 62.13 H new ATOM 0 HA ASP A 36 -3.029 1.569 17.761 1.00 43.02 H new ATOM 0 HB2 ASP A 36 -3.643 3.199 15.259 1.00 64.20 H new ATOM 0 HB3 ASP A 36 -4.763 2.953 16.584 1.00 64.20 H new ATOM 563 N GLU A 37 -5.045 0.523 16.237 1.00 10.32 N ATOM 564 CA GLU A 37 -5.887 -0.542 15.731 1.00 52.03 C ATOM 565 C GLU A 37 -6.595 -0.108 14.448 1.00 71.24 C ATOM 566 O GLU A 37 -7.712 -0.542 14.160 1.00 21.14 O ATOM 567 CB GLU A 37 -6.899 -0.915 16.811 1.00 3.21 C ATOM 568 CG GLU A 37 -6.236 -1.292 18.128 1.00 34.03 C ATOM 569 CD GLU A 37 -7.223 -1.590 19.235 1.00 62.30 C ATOM 570 OE1 GLU A 37 -7.649 -2.758 19.358 1.00 34.44 O ATOM 571 OE2 GLU A 37 -7.562 -0.663 20.001 1.00 13.22 O ATOM 0 H GLU A 37 -5.548 1.231 16.772 1.00 10.32 H new ATOM 0 HA GLU A 37 -5.276 -1.411 15.487 1.00 52.03 H new ATOM 0 HB2 GLU A 37 -7.575 -0.076 16.976 1.00 3.21 H new ATOM 0 HB3 GLU A 37 -7.506 -1.750 16.462 1.00 3.21 H new ATOM 0 HG2 GLU A 37 -5.604 -2.166 17.971 1.00 34.03 H new ATOM 0 HG3 GLU A 37 -5.583 -0.478 18.443 1.00 34.03 H new ATOM 578 N GLN A 38 -5.934 0.746 13.677 1.00 50.14 N ATOM 579 CA GLN A 38 -6.481 1.212 12.412 1.00 62.02 C ATOM 580 C GLN A 38 -5.424 1.178 11.313 1.00 11.13 C ATOM 581 O GLN A 38 -4.226 1.245 11.587 1.00 10.12 O ATOM 582 CB GLN A 38 -7.091 2.617 12.559 1.00 62.55 C ATOM 583 CG GLN A 38 -6.326 3.573 13.476 1.00 61.31 C ATOM 584 CD GLN A 38 -5.016 4.075 12.891 1.00 21.14 C ATOM 585 OE1 GLN A 38 -3.951 3.504 13.124 1.00 15.42 O ATOM 586 NE2 GLN A 38 -5.085 5.158 12.132 1.00 3.54 N ATOM 0 H GLN A 38 -5.017 1.130 13.907 1.00 50.14 H new ATOM 0 HA GLN A 38 -7.282 0.533 12.121 1.00 62.02 H new ATOM 0 HB2 GLN A 38 -7.162 3.069 11.570 1.00 62.55 H new ATOM 0 HB3 GLN A 38 -8.108 2.515 12.937 1.00 62.55 H new ATOM 0 HG2 GLN A 38 -6.962 4.429 13.704 1.00 61.31 H new ATOM 0 HG3 GLN A 38 -6.121 3.068 14.420 1.00 61.31 H new ATOM 0 HE21 GLN A 38 -5.986 5.604 11.961 1.00 3.54 H new ATOM 0 HE22 GLN A 38 -4.237 5.546 11.718 1.00 3.54 H new ATOM 595 N VAL A 39 -5.875 1.037 10.073 1.00 54.41 N ATOM 596 CA VAL A 39 -4.978 0.981 8.923 1.00 61.30 C ATOM 597 C VAL A 39 -5.603 1.680 7.726 1.00 2.04 C ATOM 598 O VAL A 39 -6.798 1.971 7.722 1.00 54.31 O ATOM 599 CB VAL A 39 -4.638 -0.473 8.510 1.00 55.01 C ATOM 600 CG1 VAL A 39 -3.762 -1.153 9.547 1.00 12.42 C ATOM 601 CG2 VAL A 39 -5.906 -1.280 8.278 1.00 15.55 C ATOM 0 H VAL A 39 -6.864 0.959 9.836 1.00 54.41 H new ATOM 0 HA VAL A 39 -4.059 1.483 9.226 1.00 61.30 H new ATOM 0 HB VAL A 39 -4.079 -0.426 7.575 1.00 55.01 H new ATOM 0 HG11 VAL A 39 -3.542 -2.171 9.226 1.00 12.42 H new ATOM 0 HG12 VAL A 39 -2.830 -0.598 9.657 1.00 12.42 H new ATOM 0 HG13 VAL A 39 -4.284 -1.179 10.504 1.00 12.42 H new ATOM 0 HG21 VAL A 39 -5.642 -2.297 7.989 1.00 15.55 H new ATOM 0 HG22 VAL A 39 -6.495 -1.304 9.195 1.00 15.55 H new ATOM 0 HG23 VAL A 39 -6.491 -0.817 7.483 1.00 15.55 H new ATOM 611 N TYR A 40 -4.788 1.950 6.720 1.00 15.22 N ATOM 612 CA TYR A 40 -5.270 2.532 5.480 1.00 71.52 C ATOM 613 C TYR A 40 -4.926 1.634 4.305 1.00 44.30 C ATOM 614 O TYR A 40 -3.837 1.722 3.745 1.00 42.42 O ATOM 615 CB TYR A 40 -4.675 3.922 5.261 1.00 54.05 C ATOM 616 CG TYR A 40 -5.205 4.965 6.216 1.00 32.12 C ATOM 617 CD1 TYR A 40 -6.465 5.517 6.038 1.00 51.14 C ATOM 618 CD2 TYR A 40 -4.443 5.398 7.293 1.00 2.12 C ATOM 619 CE1 TYR A 40 -6.953 6.470 6.909 1.00 51.02 C ATOM 620 CE2 TYR A 40 -4.923 6.350 8.170 1.00 4.24 C ATOM 621 CZ TYR A 40 -6.178 6.885 7.972 1.00 73.33 C ATOM 622 OH TYR A 40 -6.660 7.836 8.840 1.00 20.20 O ATOM 0 H TYR A 40 -3.784 1.774 6.739 1.00 15.22 H new ATOM 0 HA TYR A 40 -6.354 2.626 5.552 1.00 71.52 H new ATOM 0 HB2 TYR A 40 -3.591 3.864 5.364 1.00 54.05 H new ATOM 0 HB3 TYR A 40 -4.881 4.239 4.239 1.00 54.05 H new ATOM 0 HD1 TYR A 40 -7.073 5.196 5.205 1.00 51.14 H new ATOM 0 HD2 TYR A 40 -3.458 4.983 7.447 1.00 2.12 H new ATOM 0 HE1 TYR A 40 -7.937 6.889 6.759 1.00 51.02 H new ATOM 0 HE2 TYR A 40 -4.320 6.673 9.005 1.00 4.24 H new ATOM 0 HH TYR A 40 -5.991 8.015 9.533 1.00 20.20 H new ATOM 632 N ALA A 41 -5.841 0.749 3.958 1.00 43.15 N ATOM 633 CA ALA A 41 -5.630 -0.152 2.842 1.00 4.34 C ATOM 634 C ALA A 41 -6.231 0.431 1.571 1.00 20.23 C ATOM 635 O ALA A 41 -7.443 0.371 1.357 1.00 32.24 O ATOM 636 CB ALA A 41 -6.217 -1.519 3.147 1.00 20.23 C ATOM 0 H ALA A 41 -6.737 0.635 4.433 1.00 43.15 H new ATOM 0 HA ALA A 41 -4.558 -0.273 2.685 1.00 4.34 H new ATOM 0 HB1 ALA A 41 -6.050 -2.184 2.299 1.00 20.23 H new ATOM 0 HB2 ALA A 41 -5.735 -1.933 4.033 1.00 20.23 H new ATOM 0 HB3 ALA A 41 -7.288 -1.423 3.328 1.00 20.23 H new ATOM 642 N ILE A 42 -5.380 1.010 0.739 1.00 12.44 N ATOM 643 CA ILE A 42 -5.831 1.694 -0.463 1.00 22.02 C ATOM 644 C ILE A 42 -5.034 1.234 -1.679 1.00 25.21 C ATOM 645 O ILE A 42 -4.069 0.473 -1.551 1.00 72.33 O ATOM 646 CB ILE A 42 -5.693 3.227 -0.325 1.00 1.02 C ATOM 647 CG1 ILE A 42 -4.218 3.627 -0.213 1.00 22.44 C ATOM 648 CG2 ILE A 42 -6.476 3.725 0.884 1.00 14.31 C ATOM 649 CD1 ILE A 42 -3.991 5.125 -0.254 1.00 45.31 C ATOM 0 H ILE A 42 -4.369 1.020 0.875 1.00 12.44 H new ATOM 0 HA ILE A 42 -6.883 1.443 -0.598 1.00 22.02 H new ATOM 0 HB ILE A 42 -6.107 3.692 -1.220 1.00 1.02 H new ATOM 0 HG12 ILE A 42 -3.813 3.232 0.719 1.00 22.44 H new ATOM 0 HG13 ILE A 42 -3.661 3.161 -1.026 1.00 22.44 H new ATOM 0 HG21 ILE A 42 -6.368 4.806 0.967 1.00 14.31 H new ATOM 0 HG22 ILE A 42 -7.530 3.473 0.764 1.00 14.31 H new ATOM 0 HG23 ILE A 42 -6.091 3.252 1.787 1.00 14.31 H new ATOM 0 HD11 ILE A 42 -2.925 5.334 -0.170 1.00 45.31 H new ATOM 0 HD12 ILE A 42 -4.366 5.524 -1.197 1.00 45.31 H new ATOM 0 HD13 ILE A 42 -4.519 5.596 0.575 1.00 45.31 H new ATOM 661 N SER A 43 -5.437 1.691 -2.855 1.00 2.34 N ATOM 662 CA SER A 43 -4.701 1.400 -4.072 1.00 45.23 C ATOM 663 C SER A 43 -3.477 2.308 -4.168 1.00 35.45 C ATOM 664 O SER A 43 -3.538 3.398 -4.734 1.00 62.42 O ATOM 665 CB SER A 43 -5.606 1.579 -5.293 1.00 4.15 C ATOM 666 OG SER A 43 -6.772 0.777 -5.181 1.00 41.22 O ATOM 0 H SER A 43 -6.270 2.264 -2.991 1.00 2.34 H new ATOM 0 HA SER A 43 -4.364 0.364 -4.047 1.00 45.23 H new ATOM 0 HB2 SER A 43 -5.889 2.627 -5.391 1.00 4.15 H new ATOM 0 HB3 SER A 43 -5.060 1.310 -6.198 1.00 4.15 H new ATOM 0 HG SER A 43 -7.336 0.908 -5.971 1.00 41.22 H new ATOM 672 N ASN A 44 -2.384 1.867 -3.567 1.00 23.12 N ATOM 673 CA ASN A 44 -1.147 2.634 -3.548 1.00 42.15 C ATOM 674 C ASN A 44 0.023 1.725 -3.903 1.00 34.12 C ATOM 675 O ASN A 44 0.862 1.394 -3.065 1.00 31.12 O ATOM 676 CB ASN A 44 -0.949 3.275 -2.169 1.00 10.41 C ATOM 677 CG ASN A 44 0.262 4.188 -2.101 1.00 52.44 C ATOM 678 OD1 ASN A 44 1.360 3.760 -1.759 1.00 24.21 O ATOM 679 ND2 ASN A 44 0.063 5.462 -2.409 1.00 51.15 N ATOM 0 H ASN A 44 -2.328 0.972 -3.081 1.00 23.12 H new ATOM 0 HA ASN A 44 -1.200 3.433 -4.288 1.00 42.15 H new ATOM 0 HB2 ASN A 44 -1.841 3.845 -1.909 1.00 10.41 H new ATOM 0 HB3 ASN A 44 -0.845 2.488 -1.422 1.00 10.41 H new ATOM 0 HD21 ASN A 44 0.838 6.124 -2.366 1.00 51.15 H new ATOM 0 HD22 ASN A 44 -0.865 5.780 -2.689 1.00 51.15 H new ATOM 686 N ILE A 45 0.034 1.274 -5.142 1.00 34.30 N ATOM 687 CA ILE A 45 1.083 0.399 -5.629 1.00 34.34 C ATOM 688 C ILE A 45 1.812 1.076 -6.775 1.00 41.00 C ATOM 689 O ILE A 45 1.205 1.789 -7.571 1.00 65.13 O ATOM 690 CB ILE A 45 0.505 -0.953 -6.120 1.00 63.41 C ATOM 691 CG1 ILE A 45 -0.403 -1.574 -5.052 1.00 3.32 C ATOM 692 CG2 ILE A 45 1.620 -1.921 -6.498 1.00 75.13 C ATOM 693 CD1 ILE A 45 0.284 -1.808 -3.725 1.00 11.52 C ATOM 0 H ILE A 45 -0.679 1.502 -5.836 1.00 34.30 H new ATOM 0 HA ILE A 45 1.771 0.201 -4.807 1.00 34.34 H new ATOM 0 HB ILE A 45 -0.091 -0.757 -7.011 1.00 63.41 H new ATOM 0 HG12 ILE A 45 -1.262 -0.922 -4.895 1.00 3.32 H new ATOM 0 HG13 ILE A 45 -0.788 -2.524 -5.424 1.00 3.32 H new ATOM 0 HG21 ILE A 45 1.186 -2.861 -6.839 1.00 75.13 H new ATOM 0 HG22 ILE A 45 2.222 -1.488 -7.297 1.00 75.13 H new ATOM 0 HG23 ILE A 45 2.251 -2.107 -5.629 1.00 75.13 H new ATOM 0 HD11 ILE A 45 -0.423 -2.249 -3.022 1.00 11.52 H new ATOM 0 HD12 ILE A 45 1.126 -2.485 -3.866 1.00 11.52 H new ATOM 0 HD13 ILE A 45 0.644 -0.858 -3.329 1.00 11.52 H new ATOM 705 N ASP A 46 3.112 0.874 -6.841 1.00 44.42 N ATOM 706 CA ASP A 46 3.903 1.429 -7.920 1.00 30.12 C ATOM 707 C ASP A 46 4.158 0.364 -8.978 1.00 5.31 C ATOM 708 O ASP A 46 4.838 -0.627 -8.715 1.00 32.42 O ATOM 709 CB ASP A 46 5.222 1.972 -7.383 1.00 22.35 C ATOM 710 CG ASP A 46 6.135 2.457 -8.485 1.00 53.22 C ATOM 711 OD1 ASP A 46 5.789 3.446 -9.163 1.00 12.41 O ATOM 712 OD2 ASP A 46 7.209 1.859 -8.671 1.00 12.03 O ATOM 0 H ASP A 46 3.643 0.330 -6.161 1.00 44.42 H new ATOM 0 HA ASP A 46 3.352 2.252 -8.376 1.00 30.12 H new ATOM 0 HB2 ASP A 46 5.021 2.792 -6.694 1.00 22.35 H new ATOM 0 HB3 ASP A 46 5.727 1.193 -6.812 1.00 22.35 H new ATOM 717 N PRO A 47 3.608 0.555 -10.187 1.00 34.34 N ATOM 718 CA PRO A 47 3.710 -0.422 -11.281 1.00 43.05 C ATOM 719 C PRO A 47 5.147 -0.629 -11.757 1.00 14.21 C ATOM 720 O PRO A 47 5.438 -1.580 -12.485 1.00 1.11 O ATOM 721 CB PRO A 47 2.864 0.195 -12.403 1.00 12.01 C ATOM 722 CG PRO A 47 2.019 1.226 -11.739 1.00 41.01 C ATOM 723 CD PRO A 47 2.828 1.737 -10.584 1.00 13.11 C ATOM 0 HA PRO A 47 3.371 -1.408 -10.965 1.00 43.05 H new ATOM 0 HB2 PRO A 47 3.495 0.640 -13.172 1.00 12.01 H new ATOM 0 HB3 PRO A 47 2.250 -0.561 -12.893 1.00 12.01 H new ATOM 0 HG2 PRO A 47 1.771 2.032 -12.430 1.00 41.01 H new ATOM 0 HG3 PRO A 47 1.077 0.798 -11.397 1.00 41.01 H new ATOM 0 HD2 PRO A 47 3.471 2.567 -10.876 1.00 13.11 H new ATOM 0 HD3 PRO A 47 2.194 2.095 -9.773 1.00 13.11 H new ATOM 731 N PHE A 48 6.035 0.260 -11.332 1.00 42.35 N ATOM 732 CA PHE A 48 7.441 0.193 -11.699 1.00 74.31 C ATOM 733 C PHE A 48 8.198 -0.783 -10.794 1.00 71.53 C ATOM 734 O PHE A 48 9.250 -1.303 -11.167 1.00 41.11 O ATOM 735 CB PHE A 48 8.059 1.596 -11.618 1.00 75.14 C ATOM 736 CG PHE A 48 9.533 1.642 -11.900 1.00 22.24 C ATOM 737 CD1 PHE A 48 10.012 1.452 -13.185 1.00 71.21 C ATOM 738 CD2 PHE A 48 10.436 1.887 -10.880 1.00 72.54 C ATOM 739 CE1 PHE A 48 11.367 1.500 -13.445 1.00 71.11 C ATOM 740 CE2 PHE A 48 11.793 1.937 -11.132 1.00 1.30 C ATOM 741 CZ PHE A 48 12.258 1.747 -12.419 1.00 13.02 C ATOM 0 H PHE A 48 5.801 1.045 -10.725 1.00 42.35 H new ATOM 0 HA PHE A 48 7.520 -0.175 -12.722 1.00 74.31 H new ATOM 0 HB2 PHE A 48 7.546 2.247 -12.325 1.00 75.14 H new ATOM 0 HB3 PHE A 48 7.879 2.002 -10.623 1.00 75.14 H new ATOM 0 HD1 PHE A 48 9.319 1.264 -13.992 1.00 71.21 H new ATOM 0 HD2 PHE A 48 10.075 2.041 -9.874 1.00 72.54 H new ATOM 0 HE1 PHE A 48 11.730 1.344 -14.450 1.00 71.11 H new ATOM 0 HE2 PHE A 48 12.488 2.124 -10.326 1.00 1.30 H new ATOM 0 HZ PHE A 48 13.318 1.792 -12.623 1.00 13.02 H new ATOM 751 N ALA A 49 7.654 -1.046 -9.609 1.00 64.14 N ATOM 752 CA ALA A 49 8.314 -1.935 -8.654 1.00 21.50 C ATOM 753 C ALA A 49 7.413 -3.104 -8.266 1.00 25.24 C ATOM 754 O ALA A 49 7.871 -4.081 -7.672 1.00 72.35 O ATOM 755 CB ALA A 49 8.734 -1.160 -7.415 1.00 42.50 C ATOM 0 H ALA A 49 6.766 -0.661 -9.288 1.00 64.14 H new ATOM 0 HA ALA A 49 9.202 -2.343 -9.137 1.00 21.50 H new ATOM 0 HB1 ALA A 49 9.224 -1.834 -6.713 1.00 42.50 H new ATOM 0 HB2 ALA A 49 9.426 -0.367 -7.699 1.00 42.50 H new ATOM 0 HB3 ALA A 49 7.854 -0.722 -6.944 1.00 42.50 H new ATOM 761 N GLN A 50 6.131 -2.984 -8.603 1.00 14.02 N ATOM 762 CA GLN A 50 5.125 -3.999 -8.287 1.00 34.24 C ATOM 763 C GLN A 50 4.955 -4.151 -6.773 1.00 62.35 C ATOM 764 O GLN A 50 4.597 -5.220 -6.281 1.00 53.30 O ATOM 765 CB GLN A 50 5.466 -5.361 -8.912 1.00 73.01 C ATOM 766 CG GLN A 50 5.355 -5.414 -10.432 1.00 63.41 C ATOM 767 CD GLN A 50 6.658 -5.086 -11.144 1.00 55.51 C ATOM 768 OE1 GLN A 50 7.490 -5.964 -11.363 1.00 4.34 O ATOM 769 NE2 GLN A 50 6.832 -3.841 -11.550 1.00 63.40 N ATOM 0 H GLN A 50 5.758 -2.178 -9.105 1.00 14.02 H new ATOM 0 HA GLN A 50 4.185 -3.655 -8.718 1.00 34.24 H new ATOM 0 HB2 GLN A 50 6.483 -5.631 -8.627 1.00 73.01 H new ATOM 0 HB3 GLN A 50 4.804 -6.116 -8.487 1.00 73.01 H new ATOM 0 HG2 GLN A 50 5.027 -6.410 -10.731 1.00 63.41 H new ATOM 0 HG3 GLN A 50 4.585 -4.714 -10.757 1.00 63.41 H new ATOM 0 HE21 GLN A 50 6.122 -3.136 -11.352 1.00 63.40 H new ATOM 0 HE22 GLN A 50 7.676 -3.585 -12.062 1.00 63.40 H new ATOM 778 N ALA A 51 5.192 -3.070 -6.046 1.00 74.04 N ATOM 779 CA ALA A 51 5.099 -3.080 -4.592 1.00 44.24 C ATOM 780 C ALA A 51 4.639 -1.725 -4.088 1.00 51.42 C ATOM 781 O ALA A 51 4.580 -0.754 -4.848 1.00 73.22 O ATOM 782 CB ALA A 51 6.447 -3.440 -3.982 1.00 62.31 C ATOM 0 H ALA A 51 5.452 -2.167 -6.442 1.00 74.04 H new ATOM 0 HA ALA A 51 4.368 -3.831 -4.292 1.00 44.24 H new ATOM 0 HB1 ALA A 51 6.365 -3.444 -2.895 1.00 62.31 H new ATOM 0 HB2 ALA A 51 6.750 -4.429 -4.327 1.00 62.31 H new ATOM 0 HB3 ALA A 51 7.192 -2.705 -4.287 1.00 62.31 H new ATOM 788 N SER A 52 4.325 -1.658 -2.810 1.00 44.12 N ATOM 789 CA SER A 52 3.862 -0.428 -2.196 1.00 5.21 C ATOM 790 C SER A 52 5.042 0.449 -1.789 1.00 13.44 C ATOM 791 O SER A 52 5.197 0.810 -0.622 1.00 24.53 O ATOM 792 CB SER A 52 3.010 -0.774 -0.985 1.00 64.42 C ATOM 793 OG SER A 52 3.667 -1.741 -0.188 1.00 2.31 O ATOM 0 H SER A 52 4.383 -2.450 -2.170 1.00 44.12 H new ATOM 0 HA SER A 52 3.265 0.134 -2.914 1.00 5.21 H new ATOM 0 HB2 SER A 52 2.818 0.124 -0.397 1.00 64.42 H new ATOM 0 HB3 SER A 52 2.042 -1.156 -1.309 1.00 64.42 H new ATOM 0 HG SER A 52 3.778 -1.394 0.722 1.00 2.31 H new ATOM 799 N VAL A 53 5.865 0.809 -2.764 1.00 44.13 N ATOM 800 CA VAL A 53 7.042 1.632 -2.495 1.00 64.20 C ATOM 801 C VAL A 53 6.642 3.096 -2.366 1.00 44.33 C ATOM 802 O VAL A 53 7.484 3.985 -2.220 1.00 22.41 O ATOM 803 CB VAL A 53 8.125 1.477 -3.581 1.00 54.25 C ATOM 804 CG1 VAL A 53 8.574 0.028 -3.681 1.00 63.25 C ATOM 805 CG2 VAL A 53 7.630 1.985 -4.927 1.00 15.00 C ATOM 0 H VAL A 53 5.743 0.548 -3.742 1.00 44.13 H new ATOM 0 HA VAL A 53 7.470 1.284 -1.555 1.00 64.20 H new ATOM 0 HB VAL A 53 8.983 2.084 -3.293 1.00 54.25 H new ATOM 0 HG11 VAL A 53 9.339 -0.064 -4.452 1.00 63.25 H new ATOM 0 HG12 VAL A 53 8.984 -0.293 -2.723 1.00 63.25 H new ATOM 0 HG13 VAL A 53 7.721 -0.600 -3.939 1.00 63.25 H new ATOM 0 HG21 VAL A 53 8.415 1.863 -5.673 1.00 15.00 H new ATOM 0 HG22 VAL A 53 6.750 1.417 -5.229 1.00 15.00 H new ATOM 0 HG23 VAL A 53 7.369 3.040 -4.844 1.00 15.00 H new ATOM 815 N LEU A 54 5.344 3.328 -2.437 1.00 14.04 N ATOM 816 CA LEU A 54 4.770 4.642 -2.219 1.00 62.42 C ATOM 817 C LEU A 54 4.111 4.681 -0.844 1.00 74.14 C ATOM 818 O LEU A 54 3.609 5.716 -0.412 1.00 40.14 O ATOM 819 CB LEU A 54 3.739 4.940 -3.314 1.00 70.33 C ATOM 820 CG LEU A 54 4.250 4.798 -4.749 1.00 13.42 C ATOM 821 CD1 LEU A 54 3.123 5.033 -5.738 1.00 52.11 C ATOM 822 CD2 LEU A 54 5.404 5.757 -5.007 1.00 34.53 C ATOM 0 H LEU A 54 4.655 2.606 -2.649 1.00 14.04 H new ATOM 0 HA LEU A 54 5.553 5.400 -2.260 1.00 62.42 H new ATOM 0 HB2 LEU A 54 2.888 4.271 -3.181 1.00 70.33 H new ATOM 0 HB3 LEU A 54 3.370 5.956 -3.176 1.00 70.33 H new ATOM 0 HG LEU A 54 4.619 3.781 -4.884 1.00 13.42 H new ATOM 0 HD11 LEU A 54 3.503 4.928 -6.754 1.00 52.11 H new ATOM 0 HD12 LEU A 54 2.332 4.302 -5.569 1.00 52.11 H new ATOM 0 HD13 LEU A 54 2.723 6.038 -5.602 1.00 52.11 H new ATOM 0 HD21 LEU A 54 5.752 5.640 -6.033 1.00 34.53 H new ATOM 0 HD22 LEU A 54 5.067 6.782 -4.853 1.00 34.53 H new ATOM 0 HD23 LEU A 54 6.221 5.537 -4.319 1.00 34.53 H new ATOM 834 N SER A 55 4.138 3.537 -0.158 1.00 64.23 N ATOM 835 CA SER A 55 3.442 3.378 1.111 1.00 71.00 C ATOM 836 C SER A 55 4.409 3.470 2.292 1.00 41.51 C ATOM 837 O SER A 55 4.166 4.208 3.244 1.00 54.22 O ATOM 838 CB SER A 55 2.699 2.034 1.134 1.00 51.11 C ATOM 839 OG SER A 55 1.953 1.867 2.325 1.00 32.15 O ATOM 0 H SER A 55 4.639 2.704 -0.467 1.00 64.23 H new ATOM 0 HA SER A 55 2.721 4.190 1.208 1.00 71.00 H new ATOM 0 HB2 SER A 55 2.031 1.973 0.275 1.00 51.11 H new ATOM 0 HB3 SER A 55 3.417 1.220 1.038 1.00 51.11 H new ATOM 0 HG SER A 55 1.514 2.712 2.557 1.00 32.15 H new ATOM 845 N ARG A 56 5.515 2.737 2.223 1.00 43.15 N ATOM 846 CA ARG A 56 6.484 2.721 3.311 1.00 31.33 C ATOM 847 C ARG A 56 7.434 3.903 3.176 1.00 45.32 C ATOM 848 O ARG A 56 8.635 3.750 2.947 1.00 42.22 O ATOM 849 CB ARG A 56 7.256 1.397 3.342 1.00 54.13 C ATOM 850 CG ARG A 56 8.209 1.276 4.527 1.00 11.31 C ATOM 851 CD ARG A 56 8.947 -0.050 4.514 1.00 54.33 C ATOM 852 NE ARG A 56 9.637 -0.279 3.248 1.00 61.42 N ATOM 853 CZ ARG A 56 9.873 -1.485 2.738 1.00 72.31 C ATOM 854 NH1 ARG A 56 9.588 -2.574 3.438 1.00 72.41 N ATOM 855 NH2 ARG A 56 10.436 -1.596 1.541 1.00 21.31 N ATOM 0 H ARG A 56 5.762 2.148 1.428 1.00 43.15 H new ATOM 0 HA ARG A 56 5.948 2.809 4.256 1.00 31.33 H new ATOM 0 HB2 ARG A 56 6.545 0.572 3.372 1.00 54.13 H new ATOM 0 HB3 ARG A 56 7.824 1.295 2.417 1.00 54.13 H new ATOM 0 HG2 ARG A 56 8.929 2.094 4.502 1.00 11.31 H new ATOM 0 HG3 ARG A 56 7.649 1.373 5.457 1.00 11.31 H new ATOM 0 HD2 ARG A 56 9.670 -0.071 5.330 1.00 54.33 H new ATOM 0 HD3 ARG A 56 8.240 -0.860 4.694 1.00 54.33 H new ATOM 0 HE ARG A 56 9.957 0.535 2.723 1.00 61.42 H new ATOM 0 HH11 ARG A 56 9.186 -2.489 4.372 1.00 72.41 H new ATOM 0 HH12 ARG A 56 9.771 -3.496 3.043 1.00 72.41 H new ATOM 0 HH21 ARG A 56 10.686 -0.758 1.015 1.00 21.31 H new ATOM 0 HH22 ARG A 56 10.618 -2.519 1.147 1.00 21.31 H new ATOM 869 N GLY A 57 6.861 5.082 3.264 1.00 61.44 N ATOM 870 CA GLY A 57 7.638 6.296 3.236 1.00 63.32 C ATOM 871 C GLY A 57 7.562 7.040 4.550 1.00 4.12 C ATOM 872 O GLY A 57 7.300 6.444 5.595 1.00 1.31 O ATOM 0 H GLY A 57 5.855 5.224 3.356 1.00 61.44 H new ATOM 0 HA2 GLY A 57 8.678 6.057 3.013 1.00 63.32 H new ATOM 0 HA3 GLY A 57 7.279 6.939 2.433 1.00 63.32 H new ATOM 876 N ILE A 58 7.799 8.338 4.500 1.00 71.31 N ATOM 877 CA ILE A 58 7.716 9.176 5.684 1.00 2.44 C ATOM 878 C ILE A 58 6.331 9.791 5.781 1.00 44.23 C ATOM 879 O ILE A 58 5.859 10.429 4.841 1.00 64.12 O ATOM 880 CB ILE A 58 8.775 10.302 5.664 1.00 40.32 C ATOM 881 CG1 ILE A 58 10.184 9.723 5.478 1.00 52.25 C ATOM 882 CG2 ILE A 58 8.702 11.130 6.941 1.00 41.15 C ATOM 883 CD1 ILE A 58 10.612 8.771 6.576 1.00 31.22 C ATOM 0 H ILE A 58 8.052 8.838 3.648 1.00 71.31 H new ATOM 0 HA ILE A 58 7.909 8.544 6.551 1.00 2.44 H new ATOM 0 HB ILE A 58 8.560 10.954 4.817 1.00 40.32 H new ATOM 0 HG12 ILE A 58 10.227 9.201 4.522 1.00 52.25 H new ATOM 0 HG13 ILE A 58 10.899 10.544 5.425 1.00 52.25 H new ATOM 0 HG21 ILE A 58 9.455 11.917 6.908 1.00 41.15 H new ATOM 0 HG22 ILE A 58 7.712 11.578 7.028 1.00 41.15 H new ATOM 0 HG23 ILE A 58 8.886 10.488 7.802 1.00 41.15 H new ATOM 0 HD11 ILE A 58 11.618 8.407 6.370 1.00 31.22 H new ATOM 0 HD12 ILE A 58 10.604 9.292 7.533 1.00 31.22 H new ATOM 0 HD13 ILE A 58 9.922 7.928 6.616 1.00 31.22 H new ATOM 895 N VAL A 59 5.684 9.584 6.911 1.00 74.10 N ATOM 896 CA VAL A 59 4.356 10.113 7.140 1.00 4.14 C ATOM 897 C VAL A 59 4.445 11.533 7.687 1.00 62.14 C ATOM 898 O VAL A 59 4.670 11.744 8.881 1.00 2.03 O ATOM 899 CB VAL A 59 3.568 9.218 8.118 1.00 3.33 C ATOM 900 CG1 VAL A 59 2.188 9.797 8.397 1.00 33.24 C ATOM 901 CG2 VAL A 59 3.449 7.806 7.566 1.00 74.03 C ATOM 0 H VAL A 59 6.062 9.047 7.692 1.00 74.10 H new ATOM 0 HA VAL A 59 3.826 10.129 6.188 1.00 4.14 H new ATOM 0 HB VAL A 59 4.116 9.181 9.059 1.00 3.33 H new ATOM 0 HG11 VAL A 59 1.654 9.146 9.089 1.00 33.24 H new ATOM 0 HG12 VAL A 59 2.292 10.789 8.838 1.00 33.24 H new ATOM 0 HG13 VAL A 59 1.629 9.871 7.464 1.00 33.24 H new ATOM 0 HG21 VAL A 59 2.890 7.187 8.268 1.00 74.03 H new ATOM 0 HG22 VAL A 59 2.927 7.832 6.610 1.00 74.03 H new ATOM 0 HG23 VAL A 59 4.445 7.386 7.424 1.00 74.03 H new ATOM 911 N ALA A 60 4.297 12.499 6.798 1.00 72.35 N ATOM 912 CA ALA A 60 4.387 13.900 7.167 1.00 42.52 C ATOM 913 C ALA A 60 3.008 14.538 7.162 1.00 11.14 C ATOM 914 O ALA A 60 2.231 14.351 6.227 1.00 64.43 O ATOM 915 CB ALA A 60 5.314 14.633 6.215 1.00 43.11 C ATOM 0 H ALA A 60 4.113 12.337 5.808 1.00 72.35 H new ATOM 0 HA ALA A 60 4.796 13.971 8.175 1.00 42.52 H new ATOM 0 HB1 ALA A 60 5.374 15.683 6.502 1.00 43.11 H new ATOM 0 HB2 ALA A 60 6.308 14.188 6.260 1.00 43.11 H new ATOM 0 HB3 ALA A 60 4.927 14.556 5.199 1.00 43.11 H new ATOM 921 N GLU A 61 2.699 15.278 8.209 1.00 70.11 N ATOM 922 CA GLU A 61 1.417 15.927 8.321 1.00 2.13 C ATOM 923 C GLU A 61 1.478 17.343 7.765 1.00 54.33 C ATOM 924 O GLU A 61 2.525 17.993 7.791 1.00 14.41 O ATOM 925 CB GLU A 61 0.971 15.962 9.782 1.00 63.31 C ATOM 926 CG GLU A 61 1.865 16.795 10.685 1.00 73.04 C ATOM 927 CD GLU A 61 3.088 16.048 11.180 1.00 24.34 C ATOM 928 OE1 GLU A 61 4.057 15.896 10.406 1.00 11.54 O ATOM 929 OE2 GLU A 61 3.089 15.616 12.346 1.00 51.21 O ATOM 0 H GLU A 61 3.326 15.442 8.997 1.00 70.11 H new ATOM 0 HA GLU A 61 0.693 15.357 7.739 1.00 2.13 H new ATOM 0 HB2 GLU A 61 -0.044 16.356 9.831 1.00 63.31 H new ATOM 0 HB3 GLU A 61 0.936 14.942 10.164 1.00 63.31 H new ATOM 0 HG2 GLU A 61 2.187 17.685 10.144 1.00 73.04 H new ATOM 0 HG3 GLU A 61 1.285 17.136 11.543 1.00 73.04 H new ATOM 936 N HIS A 62 0.350 17.813 7.270 1.00 64.01 N ATOM 937 CA HIS A 62 0.230 19.180 6.787 1.00 35.40 C ATOM 938 C HIS A 62 -1.056 19.781 7.320 1.00 64.43 C ATOM 939 O HIS A 62 -2.143 19.447 6.846 1.00 43.41 O ATOM 940 CB HIS A 62 0.256 19.225 5.255 1.00 41.54 C ATOM 941 CG HIS A 62 0.238 20.615 4.687 1.00 34.15 C ATOM 942 ND1 HIS A 62 1.378 21.382 4.629 1.00 2.31 N ATOM 943 CD2 HIS A 62 -0.797 21.320 4.171 1.00 53.34 C ATOM 944 CE1 HIS A 62 1.013 22.529 4.082 1.00 60.41 C ATOM 945 NE2 HIS A 62 -0.296 22.538 3.789 1.00 24.21 N ATOM 0 H HIS A 62 -0.506 17.264 7.190 1.00 64.01 H new ATOM 0 HA HIS A 62 1.079 19.763 7.145 1.00 35.40 H new ATOM 0 HB2 HIS A 62 1.149 18.710 4.901 1.00 41.54 H new ATOM 0 HB3 HIS A 62 -0.603 18.675 4.870 1.00 41.54 H new ATOM 0 HD2 HIS A 62 -1.820 20.987 4.078 1.00 53.34 H new ATOM 0 HE1 HIS A 62 1.684 23.354 3.895 1.00 60.41 H new ATOM 0 HE2 HIS A 62 -0.818 23.304 3.364 1.00 24.21 H new ATOM 953 N GLN A 63 -0.914 20.637 8.330 1.00 22.54 N ATOM 954 CA GLN A 63 -2.048 21.241 9.038 1.00 44.32 C ATOM 955 C GLN A 63 -2.769 20.196 9.883 1.00 75.31 C ATOM 956 O GLN A 63 -2.837 20.316 11.106 1.00 21.02 O ATOM 957 CB GLN A 63 -3.037 21.912 8.078 1.00 40.23 C ATOM 958 CG GLN A 63 -2.433 23.046 7.263 1.00 11.00 C ATOM 959 CD GLN A 63 -3.465 23.752 6.405 1.00 41.20 C ATOM 960 OE1 GLN A 63 -4.640 23.831 6.768 1.00 63.35 O ATOM 961 NE2 GLN A 63 -3.038 24.273 5.269 1.00 41.40 N ATOM 0 H GLN A 63 -0.005 20.935 8.684 1.00 22.54 H new ATOM 0 HA GLN A 63 -1.643 22.015 9.690 1.00 44.32 H new ATOM 0 HB2 GLN A 63 -3.434 21.160 7.397 1.00 40.23 H new ATOM 0 HB3 GLN A 63 -3.879 22.299 8.652 1.00 40.23 H new ATOM 0 HG2 GLN A 63 -1.969 23.767 7.936 1.00 11.00 H new ATOM 0 HG3 GLN A 63 -1.642 22.651 6.625 1.00 11.00 H new ATOM 0 HE21 GLN A 63 -2.057 24.186 5.005 1.00 41.40 H new ATOM 0 HE22 GLN A 63 -3.690 24.763 4.656 1.00 41.40 H new ATOM 970 N ASP A 64 -3.300 19.177 9.226 1.00 73.14 N ATOM 971 CA ASP A 64 -3.986 18.092 9.914 1.00 22.52 C ATOM 972 C ASP A 64 -4.000 16.829 9.057 1.00 13.33 C ATOM 973 O ASP A 64 -4.115 15.722 9.581 1.00 14.35 O ATOM 974 CB ASP A 64 -5.414 18.507 10.276 1.00 2.21 C ATOM 975 CG ASP A 64 -6.182 17.415 10.997 1.00 73.52 C ATOM 976 OD1 ASP A 64 -5.837 17.100 12.160 1.00 72.21 O ATOM 977 OD2 ASP A 64 -7.150 16.884 10.418 1.00 41.01 O ATOM 0 H ASP A 64 -3.269 19.078 8.211 1.00 73.14 H new ATOM 0 HA ASP A 64 -3.443 17.874 10.834 1.00 22.52 H new ATOM 0 HB2 ASP A 64 -5.380 19.396 10.905 1.00 2.21 H new ATOM 0 HB3 ASP A 64 -5.949 18.780 9.367 1.00 2.21 H new ATOM 982 N ASP A 65 -3.864 16.989 7.741 1.00 64.23 N ATOM 983 CA ASP A 65 -3.886 15.844 6.838 1.00 45.32 C ATOM 984 C ASP A 65 -2.535 15.133 6.864 1.00 74.00 C ATOM 985 O ASP A 65 -1.569 15.645 7.435 1.00 52.32 O ATOM 986 CB ASP A 65 -4.226 16.286 5.412 1.00 64.23 C ATOM 987 CG ASP A 65 -4.835 15.174 4.577 1.00 42.33 C ATOM 988 OD1 ASP A 65 -4.088 14.314 4.072 1.00 14.20 O ATOM 989 OD2 ASP A 65 -6.071 15.168 4.405 1.00 54.25 O ATOM 0 H ASP A 65 -3.739 17.891 7.282 1.00 64.23 H new ATOM 0 HA ASP A 65 -4.658 15.152 7.174 1.00 45.32 H new ATOM 0 HB2 ASP A 65 -4.921 17.125 5.453 1.00 64.23 H new ATOM 0 HB3 ASP A 65 -3.321 16.646 4.923 1.00 64.23 H new ATOM 994 N LEU A 66 -2.462 13.979 6.227 1.00 11.42 N ATOM 995 CA LEU A 66 -1.281 13.136 6.303 1.00 60.43 C ATOM 996 C LEU A 66 -0.793 12.768 4.909 1.00 71.13 C ATOM 997 O LEU A 66 -1.504 12.118 4.136 1.00 23.10 O ATOM 998 CB LEU A 66 -1.580 11.868 7.106 1.00 71.15 C ATOM 999 CG LEU A 66 -1.960 12.098 8.571 1.00 4.32 C ATOM 1000 CD1 LEU A 66 -2.349 10.786 9.230 1.00 43.31 C ATOM 1001 CD2 LEU A 66 -0.813 12.753 9.329 1.00 53.40 C ATOM 0 H LEU A 66 -3.211 13.601 5.647 1.00 11.42 H new ATOM 0 HA LEU A 66 -0.495 13.696 6.810 1.00 60.43 H new ATOM 0 HB2 LEU A 66 -2.392 11.331 6.617 1.00 71.15 H new ATOM 0 HB3 LEU A 66 -0.704 11.221 7.072 1.00 71.15 H new ATOM 0 HG LEU A 66 -2.818 12.770 8.600 1.00 4.32 H new ATOM 0 HD11 LEU A 66 -2.616 10.967 10.271 1.00 43.31 H new ATOM 0 HD12 LEU A 66 -3.202 10.355 8.706 1.00 43.31 H new ATOM 0 HD13 LEU A 66 -1.508 10.094 9.186 1.00 43.31 H new ATOM 0 HD21 LEU A 66 -1.105 12.907 10.368 1.00 53.40 H new ATOM 0 HD22 LEU A 66 0.064 12.107 9.290 1.00 53.40 H new ATOM 0 HD23 LEU A 66 -0.577 13.714 8.872 1.00 53.40 H new ATOM 1013 N TRP A 67 0.419 13.195 4.599 1.00 51.50 N ATOM 1014 CA TRP A 67 1.021 12.941 3.304 1.00 71.25 C ATOM 1015 C TRP A 67 2.188 11.972 3.462 1.00 71.31 C ATOM 1016 O TRP A 67 3.080 12.190 4.281 1.00 73.45 O ATOM 1017 CB TRP A 67 1.540 14.245 2.689 1.00 73.14 C ATOM 1018 CG TRP A 67 0.521 15.343 2.570 1.00 51.33 C ATOM 1019 CD1 TRP A 67 -0.112 16.002 3.590 1.00 71.32 C ATOM 1020 CD2 TRP A 67 0.049 15.936 1.357 1.00 62.42 C ATOM 1021 NE1 TRP A 67 -0.952 16.963 3.082 1.00 44.42 N ATOM 1022 CE2 TRP A 67 -0.865 16.949 1.714 1.00 14.31 C ATOM 1023 CE3 TRP A 67 0.308 15.713 0.001 1.00 11.22 C ATOM 1024 CZ2 TRP A 67 -1.513 17.736 0.765 1.00 64.13 C ATOM 1025 CZ3 TRP A 67 -0.337 16.496 -0.937 1.00 70.32 C ATOM 1026 CH2 TRP A 67 -1.234 17.498 -0.553 1.00 22.02 C ATOM 0 H TRP A 67 1.011 13.726 5.237 1.00 51.50 H new ATOM 0 HA TRP A 67 0.263 12.511 2.649 1.00 71.25 H new ATOM 0 HB2 TRP A 67 2.373 14.607 3.292 1.00 73.14 H new ATOM 0 HB3 TRP A 67 1.936 14.028 1.697 1.00 73.14 H new ATOM 0 HD1 TRP A 67 0.029 15.796 4.641 1.00 71.32 H new ATOM 0 HE1 TRP A 67 -1.544 17.585 3.633 1.00 44.42 H new ATOM 0 HE3 TRP A 67 1.000 14.943 -0.307 1.00 11.22 H new ATOM 0 HZ2 TRP A 67 -2.211 18.506 1.059 1.00 64.13 H new ATOM 0 HZ3 TRP A 67 -0.145 16.331 -1.987 1.00 70.32 H new ATOM 0 HH2 TRP A 67 -1.716 18.096 -1.312 1.00 22.02 H new ATOM 1037 N VAL A 68 2.181 10.900 2.690 1.00 54.25 N ATOM 1038 CA VAL A 68 3.274 9.943 2.731 1.00 14.41 C ATOM 1039 C VAL A 68 4.330 10.292 1.684 1.00 15.52 C ATOM 1040 O VAL A 68 4.012 10.539 0.522 1.00 71.55 O ATOM 1041 CB VAL A 68 2.773 8.490 2.531 1.00 23.51 C ATOM 1042 CG1 VAL A 68 2.072 8.322 1.189 1.00 2.30 C ATOM 1043 CG2 VAL A 68 3.917 7.499 2.672 1.00 21.50 C ATOM 0 H VAL A 68 1.437 10.670 2.031 1.00 54.25 H new ATOM 0 HA VAL A 68 3.725 10.002 3.721 1.00 14.41 H new ATOM 0 HB VAL A 68 2.043 8.282 3.313 1.00 23.51 H new ATOM 0 HG11 VAL A 68 1.734 7.291 1.082 1.00 2.30 H new ATOM 0 HG12 VAL A 68 1.214 8.993 1.140 1.00 2.30 H new ATOM 0 HG13 VAL A 68 2.766 8.562 0.383 1.00 2.30 H new ATOM 0 HG21 VAL A 68 3.541 6.486 2.528 1.00 21.50 H new ATOM 0 HG22 VAL A 68 4.679 7.714 1.922 1.00 21.50 H new ATOM 0 HG23 VAL A 68 4.353 7.586 3.667 1.00 21.50 H new ATOM 1053 N ALA A 69 5.582 10.360 2.114 1.00 12.13 N ATOM 1054 CA ALA A 69 6.687 10.656 1.214 1.00 24.55 C ATOM 1055 C ALA A 69 7.406 9.379 0.802 1.00 21.43 C ATOM 1056 O ALA A 69 8.103 8.764 1.611 1.00 70.52 O ATOM 1057 CB ALA A 69 7.663 11.618 1.876 1.00 34.42 C ATOM 0 H ALA A 69 5.858 10.213 3.085 1.00 12.13 H new ATOM 0 HA ALA A 69 6.281 11.126 0.318 1.00 24.55 H new ATOM 0 HB1 ALA A 69 8.485 11.831 1.192 1.00 34.42 H new ATOM 0 HB2 ALA A 69 7.148 12.546 2.124 1.00 34.42 H new ATOM 0 HB3 ALA A 69 8.057 11.167 2.787 1.00 34.42 H new ATOM 1063 N SER A 70 7.219 8.984 -0.453 1.00 24.33 N ATOM 1064 CA SER A 70 7.837 7.775 -0.995 1.00 64.43 C ATOM 1065 C SER A 70 9.358 7.810 -0.844 1.00 15.43 C ATOM 1066 O SER A 70 9.987 8.844 -1.049 1.00 21.42 O ATOM 1067 CB SER A 70 7.457 7.622 -2.472 1.00 44.01 C ATOM 1068 OG SER A 70 8.141 6.537 -3.081 1.00 50.33 O ATOM 0 H SER A 70 6.638 9.489 -1.122 1.00 24.33 H new ATOM 0 HA SER A 70 7.467 6.919 -0.431 1.00 64.43 H new ATOM 0 HB2 SER A 70 6.381 7.468 -2.557 1.00 44.01 H new ATOM 0 HB3 SER A 70 7.690 8.544 -3.005 1.00 44.01 H new ATOM 0 HG SER A 70 7.792 5.691 -2.729 1.00 50.33 H new ATOM 1074 N PRO A 71 9.968 6.677 -0.464 1.00 14.11 N ATOM 1075 CA PRO A 71 11.425 6.566 -0.348 1.00 31.34 C ATOM 1076 C PRO A 71 12.123 6.505 -1.705 1.00 41.22 C ATOM 1077 O PRO A 71 13.286 6.878 -1.831 1.00 62.41 O ATOM 1078 CB PRO A 71 11.615 5.249 0.403 1.00 23.24 C ATOM 1079 CG PRO A 71 10.413 4.441 0.056 1.00 14.12 C ATOM 1080 CD PRO A 71 9.286 5.426 -0.081 1.00 42.34 C ATOM 0 HA PRO A 71 11.858 7.433 0.152 1.00 31.34 H new ATOM 0 HB2 PRO A 71 12.532 4.747 0.096 1.00 23.24 H new ATOM 0 HB3 PRO A 71 11.686 5.413 1.478 1.00 23.24 H new ATOM 0 HG2 PRO A 71 10.566 3.890 -0.872 1.00 14.12 H new ATOM 0 HG3 PRO A 71 10.198 3.706 0.832 1.00 14.12 H new ATOM 0 HD2 PRO A 71 8.568 5.112 -0.839 1.00 42.34 H new ATOM 0 HD3 PRO A 71 8.735 5.539 0.853 1.00 42.34 H new ATOM 1088 N LEU A 72 11.406 6.040 -2.719 1.00 62.35 N ATOM 1089 CA LEU A 72 11.999 5.847 -4.036 1.00 32.33 C ATOM 1090 C LEU A 72 11.598 6.960 -4.993 1.00 43.03 C ATOM 1091 O LEU A 72 12.443 7.554 -5.662 1.00 21.21 O ATOM 1092 CB LEU A 72 11.591 4.490 -4.613 1.00 21.14 C ATOM 1093 CG LEU A 72 12.087 3.272 -3.830 1.00 4.12 C ATOM 1094 CD1 LEU A 72 11.657 1.986 -4.517 1.00 13.42 C ATOM 1095 CD2 LEU A 72 13.600 3.316 -3.677 1.00 51.02 C ATOM 0 H LEU A 72 10.419 5.791 -2.656 1.00 62.35 H new ATOM 0 HA LEU A 72 13.082 5.874 -3.918 1.00 32.33 H new ATOM 0 HB2 LEU A 72 10.503 4.449 -4.667 1.00 21.14 H new ATOM 0 HB3 LEU A 72 11.964 4.421 -5.635 1.00 21.14 H new ATOM 0 HG LEU A 72 11.641 3.297 -2.836 1.00 4.12 H new ATOM 0 HD11 LEU A 72 12.018 1.130 -3.947 1.00 13.42 H new ATOM 0 HD12 LEU A 72 10.569 1.950 -4.575 1.00 13.42 H new ATOM 0 HD13 LEU A 72 12.075 1.954 -5.523 1.00 13.42 H new ATOM 0 HD21 LEU A 72 13.935 2.442 -3.118 1.00 51.02 H new ATOM 0 HD22 LEU A 72 14.066 3.316 -4.663 1.00 51.02 H new ATOM 0 HD23 LEU A 72 13.885 4.221 -3.141 1.00 51.02 H new ATOM 1107 N LYS A 73 10.305 7.245 -5.064 1.00 64.31 N ATOM 1108 CA LYS A 73 9.819 8.292 -5.955 1.00 52.04 C ATOM 1109 C LYS A 73 9.860 9.652 -5.269 1.00 1.12 C ATOM 1110 O LYS A 73 9.836 10.687 -5.932 1.00 32.04 O ATOM 1111 CB LYS A 73 8.403 7.980 -6.459 1.00 33.41 C ATOM 1112 CG LYS A 73 8.374 7.079 -7.691 1.00 24.11 C ATOM 1113 CD LYS A 73 8.833 5.659 -7.385 1.00 2.24 C ATOM 1114 CE LYS A 73 9.152 4.888 -8.658 1.00 44.40 C ATOM 1115 NZ LYS A 73 7.993 4.814 -9.585 1.00 23.53 N ATOM 0 H LYS A 73 9.581 6.773 -4.523 1.00 64.31 H new ATOM 0 HA LYS A 73 10.482 8.326 -6.819 1.00 52.04 H new ATOM 0 HB2 LYS A 73 7.839 7.503 -5.658 1.00 33.41 H new ATOM 0 HB3 LYS A 73 7.896 8.916 -6.692 1.00 33.41 H new ATOM 0 HG2 LYS A 73 7.361 7.051 -8.093 1.00 24.11 H new ATOM 0 HG3 LYS A 73 9.013 7.505 -8.464 1.00 24.11 H new ATOM 0 HD2 LYS A 73 9.716 5.691 -6.747 1.00 2.24 H new ATOM 0 HD3 LYS A 73 8.056 5.137 -6.827 1.00 2.24 H new ATOM 0 HE2 LYS A 73 9.990 5.364 -9.167 1.00 44.40 H new ATOM 0 HE3 LYS A 73 9.469 3.878 -8.397 1.00 44.40 H new ATOM 0 HZ1 LYS A 73 8.168 4.082 -10.302 1.00 23.53 H new ATOM 0 HZ2 LYS A 73 7.134 4.575 -9.049 1.00 23.53 H new ATOM 0 HZ3 LYS A 73 7.864 5.734 -10.053 1.00 23.53 H new ATOM 1129 N LYS A 74 9.925 9.633 -3.939 1.00 33.01 N ATOM 1130 CA LYS A 74 10.052 10.847 -3.132 1.00 73.10 C ATOM 1131 C LYS A 74 8.836 11.762 -3.309 1.00 62.24 C ATOM 1132 O LYS A 74 8.893 12.966 -3.046 1.00 22.43 O ATOM 1133 CB LYS A 74 11.354 11.579 -3.487 1.00 70.42 C ATOM 1134 CG LYS A 74 11.798 12.576 -2.434 1.00 74.23 C ATOM 1135 CD LYS A 74 13.154 13.171 -2.764 1.00 23.05 C ATOM 1136 CE LYS A 74 13.620 14.115 -1.670 1.00 61.21 C ATOM 1137 NZ LYS A 74 12.732 15.297 -1.541 1.00 41.14 N ATOM 0 H LYS A 74 9.891 8.775 -3.389 1.00 33.01 H new ATOM 0 HA LYS A 74 10.090 10.561 -2.081 1.00 73.10 H new ATOM 0 HB2 LYS A 74 12.145 10.844 -3.636 1.00 70.42 H new ATOM 0 HB3 LYS A 74 11.221 12.100 -4.435 1.00 70.42 H new ATOM 0 HG2 LYS A 74 11.060 13.374 -2.354 1.00 74.23 H new ATOM 0 HG3 LYS A 74 11.843 12.084 -1.462 1.00 74.23 H new ATOM 0 HD2 LYS A 74 13.883 12.371 -2.893 1.00 23.05 H new ATOM 0 HD3 LYS A 74 13.098 13.707 -3.711 1.00 23.05 H new ATOM 0 HE2 LYS A 74 13.653 13.581 -0.720 1.00 61.21 H new ATOM 0 HE3 LYS A 74 14.636 14.446 -1.885 1.00 61.21 H new ATOM 0 HZ1 LYS A 74 13.180 16.002 -0.921 1.00 41.14 H new ATOM 0 HZ2 LYS A 74 12.571 15.714 -2.480 1.00 41.14 H new ATOM 0 HZ3 LYS A 74 11.822 15.004 -1.131 1.00 41.14 H new ATOM 1151 N GLN A 75 7.726 11.173 -3.726 1.00 64.10 N ATOM 1152 CA GLN A 75 6.499 11.919 -3.949 1.00 60.32 C ATOM 1153 C GLN A 75 5.600 11.844 -2.718 1.00 10.32 C ATOM 1154 O GLN A 75 5.644 10.869 -1.965 1.00 75.11 O ATOM 1155 CB GLN A 75 5.771 11.372 -5.181 1.00 24.52 C ATOM 1156 CG GLN A 75 4.507 12.133 -5.544 1.00 74.20 C ATOM 1157 CD GLN A 75 3.906 11.684 -6.858 1.00 54.33 C ATOM 1158 OE1 GLN A 75 2.692 11.731 -7.041 1.00 55.40 O ATOM 1159 NE2 GLN A 75 4.749 11.260 -7.786 1.00 1.41 N ATOM 0 H GLN A 75 7.651 10.174 -3.918 1.00 64.10 H new ATOM 0 HA GLN A 75 6.749 12.965 -4.126 1.00 60.32 H new ATOM 0 HB2 GLN A 75 6.452 11.394 -6.032 1.00 24.52 H new ATOM 0 HB3 GLN A 75 5.515 10.327 -5.004 1.00 24.52 H new ATOM 0 HG2 GLN A 75 3.771 12.004 -4.751 1.00 74.20 H new ATOM 0 HG3 GLN A 75 4.733 13.198 -5.599 1.00 74.20 H new ATOM 0 HE21 GLN A 75 5.750 11.237 -7.593 1.00 1.41 H new ATOM 0 HE22 GLN A 75 4.397 10.956 -8.694 1.00 1.41 H new ATOM 1168 N HIS A 76 4.801 12.884 -2.520 1.00 11.24 N ATOM 1169 CA HIS A 76 3.890 12.966 -1.386 1.00 61.34 C ATOM 1170 C HIS A 76 2.478 12.575 -1.808 1.00 35.53 C ATOM 1171 O HIS A 76 1.917 13.155 -2.741 1.00 32.23 O ATOM 1172 CB HIS A 76 3.879 14.387 -0.807 1.00 23.10 C ATOM 1173 CG HIS A 76 5.203 14.829 -0.270 1.00 75.12 C ATOM 1174 ND1 HIS A 76 6.096 15.589 -0.992 1.00 44.41 N ATOM 1175 CD2 HIS A 76 5.780 14.619 0.934 1.00 11.44 C ATOM 1176 CE1 HIS A 76 7.166 15.820 -0.256 1.00 5.11 C ATOM 1177 NE2 HIS A 76 7.001 15.243 0.917 1.00 31.35 N ATOM 0 H HIS A 76 4.766 13.693 -3.140 1.00 11.24 H new ATOM 0 HA HIS A 76 4.238 12.273 -0.620 1.00 61.34 H new ATOM 0 HB2 HIS A 76 3.561 15.083 -1.583 1.00 23.10 H new ATOM 0 HB3 HIS A 76 3.138 14.439 -0.009 1.00 23.10 H new ATOM 0 HD1 HIS A 76 5.953 15.921 -1.946 1.00 44.41 H new ATOM 0 HD2 HIS A 76 5.357 14.062 1.757 1.00 11.44 H new ATOM 0 HE1 HIS A 76 8.032 16.387 -0.563 1.00 5.11 H new ATOM 1186 N PHE A 77 1.911 11.593 -1.123 1.00 12.32 N ATOM 1187 CA PHE A 77 0.565 11.125 -1.427 1.00 22.50 C ATOM 1188 C PHE A 77 -0.356 11.310 -0.227 1.00 11.30 C ATOM 1189 O PHE A 77 0.027 11.015 0.906 1.00 41.21 O ATOM 1190 CB PHE A 77 0.582 9.642 -1.819 1.00 11.03 C ATOM 1191 CG PHE A 77 1.445 9.323 -3.007 1.00 60.30 C ATOM 1192 CD1 PHE A 77 2.781 8.992 -2.844 1.00 32.34 C ATOM 1193 CD2 PHE A 77 0.914 9.342 -4.287 1.00 52.40 C ATOM 1194 CE1 PHE A 77 3.571 8.691 -3.936 1.00 2.24 C ATOM 1195 CE2 PHE A 77 1.699 9.042 -5.382 1.00 21.22 C ATOM 1196 CZ PHE A 77 3.028 8.716 -5.206 1.00 55.41 C ATOM 0 H PHE A 77 2.363 11.103 -0.351 1.00 12.32 H new ATOM 0 HA PHE A 77 0.192 11.717 -2.263 1.00 22.50 H new ATOM 0 HB2 PHE A 77 0.928 9.058 -0.967 1.00 11.03 H new ATOM 0 HB3 PHE A 77 -0.439 9.323 -2.031 1.00 11.03 H new ATOM 0 HD1 PHE A 77 3.209 8.969 -1.853 1.00 32.34 H new ATOM 0 HD2 PHE A 77 -0.126 9.595 -4.429 1.00 52.40 H new ATOM 0 HE1 PHE A 77 4.611 8.437 -3.797 1.00 2.24 H new ATOM 0 HE2 PHE A 77 1.274 9.062 -6.375 1.00 21.22 H new ATOM 0 HZ PHE A 77 3.644 8.480 -6.061 1.00 55.41 H new ATOM 1206 N ARG A 78 -1.552 11.824 -0.480 1.00 44.05 N ATOM 1207 CA ARG A 78 -2.602 11.865 0.535 1.00 11.14 C ATOM 1208 C ARG A 78 -2.987 10.442 0.935 1.00 3.14 C ATOM 1209 O ARG A 78 -3.229 9.602 0.068 1.00 52.32 O ATOM 1210 CB ARG A 78 -3.839 12.575 -0.016 1.00 34.12 C ATOM 1211 CG ARG A 78 -3.589 13.987 -0.509 1.00 32.43 C ATOM 1212 CD ARG A 78 -3.376 14.957 0.637 1.00 64.42 C ATOM 1213 NE ARG A 78 -4.563 15.092 1.481 1.00 72.01 N ATOM 1214 CZ ARG A 78 -5.686 15.711 1.108 1.00 73.30 C ATOM 1215 NH1 ARG A 78 -5.776 16.272 -0.092 1.00 44.13 N ATOM 1216 NH2 ARG A 78 -6.709 15.790 1.950 1.00 72.12 N ATOM 0 H ARG A 78 -1.822 12.220 -1.381 1.00 44.05 H new ATOM 0 HA ARG A 78 -2.227 12.407 1.403 1.00 11.14 H new ATOM 0 HB2 ARG A 78 -4.245 11.984 -0.837 1.00 34.12 H new ATOM 0 HB3 ARG A 78 -4.601 12.606 0.763 1.00 34.12 H new ATOM 0 HG2 ARG A 78 -2.714 13.995 -1.159 1.00 32.43 H new ATOM 0 HG3 ARG A 78 -4.436 14.317 -1.111 1.00 32.43 H new ATOM 0 HD2 ARG A 78 -2.538 14.618 1.245 1.00 64.42 H new ATOM 0 HD3 ARG A 78 -3.105 15.934 0.237 1.00 64.42 H new ATOM 0 HE ARG A 78 -4.531 14.687 2.416 1.00 72.01 H new ATOM 0 HH11 ARG A 78 -4.985 16.232 -0.735 1.00 44.13 H new ATOM 0 HH12 ARG A 78 -6.636 16.743 -0.371 1.00 44.13 H new ATOM 0 HH21 ARG A 78 -6.637 15.378 2.880 1.00 72.12 H new ATOM 0 HH22 ARG A 78 -7.567 16.262 1.667 1.00 72.12 H new ATOM 1230 N LEU A 79 -3.053 10.170 2.235 1.00 72.33 N ATOM 1231 CA LEU A 79 -3.362 8.821 2.711 1.00 14.12 C ATOM 1232 C LEU A 79 -4.817 8.440 2.444 1.00 44.24 C ATOM 1233 O LEU A 79 -5.095 7.562 1.633 1.00 2.33 O ATOM 1234 CB LEU A 79 -3.056 8.670 4.206 1.00 74.53 C ATOM 1235 CG LEU A 79 -1.594 8.882 4.601 1.00 74.31 C ATOM 1236 CD1 LEU A 79 -1.397 8.570 6.074 1.00 13.21 C ATOM 1237 CD2 LEU A 79 -0.677 8.023 3.747 1.00 75.23 C ATOM 0 H LEU A 79 -2.899 10.857 2.973 1.00 72.33 H new ATOM 0 HA LEU A 79 -2.721 8.142 2.149 1.00 14.12 H new ATOM 0 HB2 LEU A 79 -3.671 9.380 4.759 1.00 74.53 H new ATOM 0 HB3 LEU A 79 -3.359 7.672 4.523 1.00 74.53 H new ATOM 0 HG LEU A 79 -1.338 9.927 4.429 1.00 74.31 H new ATOM 0 HD11 LEU A 79 -0.352 8.725 6.342 1.00 13.21 H new ATOM 0 HD12 LEU A 79 -2.027 9.228 6.673 1.00 13.21 H new ATOM 0 HD13 LEU A 79 -1.671 7.533 6.266 1.00 13.21 H new ATOM 0 HD21 LEU A 79 0.358 8.189 4.044 1.00 75.23 H new ATOM 0 HD22 LEU A 79 -0.930 6.972 3.885 1.00 75.23 H new ATOM 0 HD23 LEU A 79 -0.800 8.291 2.698 1.00 75.23 H new ATOM 1249 N TYR A 80 -5.748 9.100 3.121 1.00 71.04 N ATOM 1250 CA TYR A 80 -7.156 8.727 3.019 1.00 1.34 C ATOM 1251 C TYR A 80 -7.917 9.662 2.084 1.00 23.24 C ATOM 1252 O TYR A 80 -9.135 9.805 2.184 1.00 31.22 O ATOM 1253 CB TYR A 80 -7.810 8.692 4.408 1.00 64.33 C ATOM 1254 CG TYR A 80 -7.796 10.007 5.168 1.00 73.11 C ATOM 1255 CD1 TYR A 80 -6.661 10.441 5.842 1.00 74.43 C ATOM 1256 CD2 TYR A 80 -8.937 10.798 5.229 1.00 23.00 C ATOM 1257 CE1 TYR A 80 -6.665 11.625 6.559 1.00 4.34 C ATOM 1258 CE2 TYR A 80 -8.947 11.983 5.936 1.00 22.41 C ATOM 1259 CZ TYR A 80 -7.810 12.392 6.599 1.00 2.15 C ATOM 1260 OH TYR A 80 -7.828 13.563 7.321 1.00 5.24 O ATOM 0 H TYR A 80 -5.559 9.888 3.740 1.00 71.04 H new ATOM 0 HA TYR A 80 -7.203 7.726 2.591 1.00 1.34 H new ATOM 0 HB2 TYR A 80 -8.845 8.368 4.296 1.00 64.33 H new ATOM 0 HB3 TYR A 80 -7.303 7.938 5.011 1.00 64.33 H new ATOM 0 HD1 TYR A 80 -5.761 9.845 5.806 1.00 74.43 H new ATOM 0 HD2 TYR A 80 -9.831 10.480 4.714 1.00 23.00 H new ATOM 0 HE1 TYR A 80 -5.777 11.946 7.084 1.00 4.34 H new ATOM 0 HE2 TYR A 80 -9.842 12.587 5.970 1.00 22.41 H new ATOM 0 HH TYR A 80 -8.711 13.982 7.243 1.00 5.24 H new ATOM 1270 N ASP A 81 -7.198 10.264 1.151 1.00 53.03 N ATOM 1271 CA ASP A 81 -7.808 11.163 0.185 1.00 22.32 C ATOM 1272 C ASP A 81 -7.624 10.628 -1.231 1.00 34.12 C ATOM 1273 O ASP A 81 -8.589 10.228 -1.884 1.00 21.04 O ATOM 1274 CB ASP A 81 -7.207 12.558 0.315 1.00 30.10 C ATOM 1275 CG ASP A 81 -7.608 13.471 -0.821 1.00 52.04 C ATOM 1276 OD1 ASP A 81 -8.675 14.114 -0.732 1.00 30.52 O ATOM 1277 OD2 ASP A 81 -6.846 13.560 -1.798 1.00 21.11 O ATOM 0 H ASP A 81 -6.191 10.146 1.042 1.00 53.03 H new ATOM 0 HA ASP A 81 -8.877 11.225 0.390 1.00 22.32 H new ATOM 0 HB2 ASP A 81 -7.523 12.999 1.260 1.00 30.10 H new ATOM 0 HB3 ASP A 81 -6.120 12.480 0.347 1.00 30.10 H new ATOM 1282 N GLY A 82 -6.386 10.611 -1.704 1.00 41.42 N ATOM 1283 CA GLY A 82 -6.112 10.031 -3.000 1.00 43.51 C ATOM 1284 C GLY A 82 -5.304 10.935 -3.908 1.00 54.00 C ATOM 1285 O GLY A 82 -4.675 10.462 -4.854 1.00 24.34 O ATOM 0 H GLY A 82 -5.572 10.986 -1.216 1.00 41.42 H new ATOM 0 HA2 GLY A 82 -5.575 9.093 -2.863 1.00 43.51 H new ATOM 0 HA3 GLY A 82 -7.056 9.789 -3.488 1.00 43.51 H new ATOM 1289 N PHE A 83 -5.321 12.233 -3.642 1.00 54.45 N ATOM 1290 CA PHE A 83 -4.588 13.183 -4.475 1.00 62.35 C ATOM 1291 C PHE A 83 -3.084 13.107 -4.224 1.00 13.53 C ATOM 1292 O PHE A 83 -2.629 12.565 -3.214 1.00 23.23 O ATOM 1293 CB PHE A 83 -5.091 14.612 -4.253 1.00 2.30 C ATOM 1294 CG PHE A 83 -6.352 14.931 -5.008 1.00 41.22 C ATOM 1295 CD1 PHE A 83 -6.289 15.390 -6.314 1.00 31.41 C ATOM 1296 CD2 PHE A 83 -7.594 14.780 -4.415 1.00 74.31 C ATOM 1297 CE1 PHE A 83 -7.442 15.691 -7.013 1.00 43.14 C ATOM 1298 CE2 PHE A 83 -8.750 15.077 -5.109 1.00 13.32 C ATOM 1299 CZ PHE A 83 -8.674 15.534 -6.411 1.00 73.01 C ATOM 0 H PHE A 83 -5.829 12.653 -2.863 1.00 54.45 H new ATOM 0 HA PHE A 83 -4.771 12.908 -5.514 1.00 62.35 H new ATOM 0 HB2 PHE A 83 -5.267 14.765 -3.188 1.00 2.30 H new ATOM 0 HB3 PHE A 83 -4.312 15.313 -4.552 1.00 2.30 H new ATOM 0 HD1 PHE A 83 -5.328 15.514 -6.791 1.00 31.41 H new ATOM 0 HD2 PHE A 83 -7.659 14.425 -3.397 1.00 74.31 H new ATOM 0 HE1 PHE A 83 -7.379 16.049 -8.030 1.00 43.14 H new ATOM 0 HE2 PHE A 83 -9.712 14.952 -4.635 1.00 13.32 H new ATOM 0 HZ PHE A 83 -9.577 15.768 -6.956 1.00 73.01 H new ATOM 1309 N CYS A 84 -2.320 13.658 -5.156 1.00 30.43 N ATOM 1310 CA CYS A 84 -0.870 13.621 -5.084 1.00 44.35 C ATOM 1311 C CYS A 84 -0.313 15.039 -5.168 1.00 14.43 C ATOM 1312 O CYS A 84 -0.951 15.924 -5.741 1.00 3.34 O ATOM 1313 CB CYS A 84 -0.312 12.771 -6.227 1.00 32.13 C ATOM 1314 SG CYS A 84 -1.124 11.163 -6.428 1.00 32.43 S ATOM 0 H CYS A 84 -2.686 14.140 -5.977 1.00 30.43 H new ATOM 0 HA CYS A 84 -0.571 13.176 -4.135 1.00 44.35 H new ATOM 0 HB2 CYS A 84 -0.404 13.330 -7.158 1.00 32.13 H new ATOM 0 HB3 CYS A 84 0.752 12.608 -6.057 1.00 32.13 H new ATOM 0 HG CYS A 84 -0.301 10.216 -6.088 1.00 32.43 H new ATOM 1320 N LEU A 85 0.869 15.253 -4.604 1.00 31.41 N ATOM 1321 CA LEU A 85 1.470 16.580 -4.590 1.00 33.22 C ATOM 1322 C LEU A 85 2.297 16.809 -5.858 1.00 52.41 C ATOM 1323 O LEU A 85 1.931 17.621 -6.710 1.00 42.04 O ATOM 1324 CB LEU A 85 2.344 16.747 -3.333 1.00 31.14 C ATOM 1325 CG LEU A 85 2.613 18.191 -2.880 1.00 45.52 C ATOM 1326 CD1 LEU A 85 3.220 18.197 -1.487 1.00 51.45 C ATOM 1327 CD2 LEU A 85 3.534 18.920 -3.850 1.00 30.44 C ATOM 0 H LEU A 85 1.428 14.529 -4.153 1.00 31.41 H new ATOM 0 HA LEU A 85 0.676 17.326 -4.565 1.00 33.22 H new ATOM 0 HB2 LEU A 85 1.867 16.213 -2.511 1.00 31.14 H new ATOM 0 HB3 LEU A 85 3.302 16.261 -3.515 1.00 31.14 H new ATOM 0 HG LEU A 85 1.658 18.717 -2.863 1.00 45.52 H new ATOM 0 HD11 LEU A 85 3.407 19.225 -1.176 1.00 51.45 H new ATOM 0 HD12 LEU A 85 2.530 17.726 -0.787 1.00 51.45 H new ATOM 0 HD13 LEU A 85 4.160 17.645 -1.497 1.00 51.45 H new ATOM 0 HD21 LEU A 85 3.702 19.938 -3.497 1.00 30.44 H new ATOM 0 HD22 LEU A 85 4.487 18.395 -3.911 1.00 30.44 H new ATOM 0 HD23 LEU A 85 3.073 18.949 -4.837 1.00 30.44 H new ATOM 1339 N GLU A 86 3.403 16.084 -5.977 1.00 20.33 N ATOM 1340 CA GLU A 86 4.343 16.273 -7.077 1.00 3.35 C ATOM 1341 C GLU A 86 3.717 15.929 -8.428 1.00 15.45 C ATOM 1342 O GLU A 86 3.774 16.725 -9.367 1.00 42.24 O ATOM 1343 CB GLU A 86 5.604 15.424 -6.859 1.00 13.11 C ATOM 1344 CG GLU A 86 6.509 15.907 -5.726 1.00 4.12 C ATOM 1345 CD GLU A 86 5.888 15.779 -4.346 1.00 64.43 C ATOM 1346 OE1 GLU A 86 5.021 14.904 -4.152 1.00 74.01 O ATOM 1347 OE2 GLU A 86 6.267 16.556 -3.445 1.00 43.43 O ATOM 0 H GLU A 86 3.673 15.353 -5.319 1.00 20.33 H new ATOM 0 HA GLU A 86 4.614 17.329 -7.091 1.00 3.35 H new ATOM 0 HB2 GLU A 86 5.303 14.397 -6.653 1.00 13.11 H new ATOM 0 HB3 GLU A 86 6.180 15.408 -7.784 1.00 13.11 H new ATOM 0 HG2 GLU A 86 7.439 15.339 -5.749 1.00 4.12 H new ATOM 0 HG3 GLU A 86 6.769 16.951 -5.901 1.00 4.12 H new ATOM 1354 N ASP A 87 3.127 14.744 -8.528 1.00 73.12 N ATOM 1355 CA ASP A 87 2.529 14.296 -9.782 1.00 61.20 C ATOM 1356 C ASP A 87 1.104 13.809 -9.563 1.00 12.53 C ATOM 1357 O ASP A 87 0.882 12.689 -9.108 1.00 33.20 O ATOM 1358 CB ASP A 87 3.358 13.176 -10.420 1.00 2.45 C ATOM 1359 CG ASP A 87 4.644 13.673 -11.051 1.00 3.22 C ATOM 1360 OD1 ASP A 87 4.623 14.026 -12.252 1.00 42.41 O ATOM 1361 OD2 ASP A 87 5.683 13.699 -10.359 1.00 22.51 O ATOM 0 H ASP A 87 3.049 14.077 -7.760 1.00 73.12 H new ATOM 0 HA ASP A 87 2.513 15.152 -10.457 1.00 61.20 H new ATOM 0 HB2 ASP A 87 3.597 12.431 -9.661 1.00 2.45 H new ATOM 0 HB3 ASP A 87 2.758 12.675 -11.179 1.00 2.45 H new ATOM 1366 N GLY A 88 0.138 14.643 -9.915 1.00 2.42 N ATOM 1367 CA GLY A 88 -1.259 14.304 -9.699 1.00 32.12 C ATOM 1368 C GLY A 88 -1.830 13.417 -10.792 1.00 44.52 C ATOM 1369 O GLY A 88 -3.037 13.416 -11.030 1.00 24.14 O ATOM 0 H GLY A 88 0.294 15.553 -10.348 1.00 2.42 H new ATOM 0 HA2 GLY A 88 -1.360 13.799 -8.739 1.00 32.12 H new ATOM 0 HA3 GLY A 88 -1.845 15.221 -9.640 1.00 32.12 H new ATOM 1373 N ALA A 89 -0.968 12.654 -11.450 1.00 30.05 N ATOM 1374 CA ALA A 89 -1.398 11.764 -12.521 1.00 21.40 C ATOM 1375 C ALA A 89 -1.872 10.429 -11.960 1.00 54.45 C ATOM 1376 O ALA A 89 -2.514 9.640 -12.654 1.00 2.53 O ATOM 1377 CB ALA A 89 -0.270 11.545 -13.516 1.00 21.50 C ATOM 0 H ALA A 89 0.034 12.633 -11.261 1.00 30.05 H new ATOM 0 HA ALA A 89 -2.234 12.236 -13.037 1.00 21.40 H new ATOM 0 HB1 ALA A 89 -0.609 10.878 -14.309 1.00 21.50 H new ATOM 0 HB2 ALA A 89 0.025 12.501 -13.948 1.00 21.50 H new ATOM 0 HB3 ALA A 89 0.583 11.098 -13.006 1.00 21.50 H new ATOM 1383 N TYR A 90 -1.544 10.179 -10.700 1.00 5.02 N ATOM 1384 CA TYR A 90 -1.925 8.933 -10.054 1.00 61.42 C ATOM 1385 C TYR A 90 -3.368 8.991 -9.573 1.00 23.12 C ATOM 1386 O TYR A 90 -4.201 8.200 -10.022 1.00 60.32 O ATOM 1387 CB TYR A 90 -0.983 8.626 -8.886 1.00 12.04 C ATOM 1388 CG TYR A 90 0.448 8.409 -9.321 1.00 0.43 C ATOM 1389 CD1 TYR A 90 0.866 7.176 -9.804 1.00 75.02 C ATOM 1390 CD2 TYR A 90 1.377 9.439 -9.264 1.00 33.20 C ATOM 1391 CE1 TYR A 90 2.167 6.977 -10.218 1.00 3.04 C ATOM 1392 CE2 TYR A 90 2.681 9.247 -9.673 1.00 11.21 C ATOM 1393 CZ TYR A 90 3.071 8.015 -10.150 1.00 30.53 C ATOM 1394 OH TYR A 90 4.367 7.821 -10.573 1.00 72.52 O ATOM 0 H TYR A 90 -1.017 10.820 -10.108 1.00 5.02 H new ATOM 0 HA TYR A 90 -1.843 8.131 -10.787 1.00 61.42 H new ATOM 0 HB2 TYR A 90 -1.019 9.449 -8.172 1.00 12.04 H new ATOM 0 HB3 TYR A 90 -1.337 7.736 -8.365 1.00 12.04 H new ATOM 0 HD1 TYR A 90 0.161 6.359 -9.856 1.00 75.02 H new ATOM 0 HD2 TYR A 90 1.074 10.407 -8.893 1.00 33.20 H new ATOM 0 HE1 TYR A 90 2.475 6.013 -10.594 1.00 3.04 H new ATOM 0 HE2 TYR A 90 3.392 10.058 -9.619 1.00 11.21 H new ATOM 0 HH TYR A 90 4.876 8.651 -10.460 1.00 72.52 H new ATOM 1404 N SER A 91 -3.660 9.952 -8.689 1.00 62.44 N ATOM 1405 CA SER A 91 -4.987 10.092 -8.073 1.00 41.42 C ATOM 1406 C SER A 91 -5.510 8.736 -7.600 1.00 74.42 C ATOM 1407 O SER A 91 -6.403 8.142 -8.205 1.00 41.23 O ATOM 1408 CB SER A 91 -5.984 10.777 -9.026 1.00 40.23 C ATOM 1409 OG SER A 91 -6.020 10.149 -10.298 1.00 41.34 O ATOM 0 H SER A 91 -2.986 10.653 -8.380 1.00 62.44 H new ATOM 0 HA SER A 91 -4.883 10.736 -7.200 1.00 41.42 H new ATOM 0 HB2 SER A 91 -6.980 10.758 -8.584 1.00 40.23 H new ATOM 0 HB3 SER A 91 -5.709 11.825 -9.147 1.00 40.23 H new ATOM 0 HG SER A 91 -5.720 9.220 -10.213 1.00 41.34 H new ATOM 1415 N VAL A 92 -4.931 8.252 -6.511 1.00 40.53 N ATOM 1416 CA VAL A 92 -5.192 6.902 -6.038 1.00 4.15 C ATOM 1417 C VAL A 92 -6.574 6.782 -5.407 1.00 75.24 C ATOM 1418 O VAL A 92 -7.171 7.776 -4.975 1.00 64.41 O ATOM 1419 CB VAL A 92 -4.117 6.438 -5.028 1.00 64.02 C ATOM 1420 CG1 VAL A 92 -2.736 6.470 -5.665 1.00 13.04 C ATOM 1421 CG2 VAL A 92 -4.141 7.287 -3.767 1.00 3.40 C ATOM 0 H VAL A 92 -4.273 8.778 -5.936 1.00 40.53 H new ATOM 0 HA VAL A 92 -5.154 6.254 -6.913 1.00 4.15 H new ATOM 0 HB VAL A 92 -4.347 5.411 -4.745 1.00 64.02 H new ATOM 0 HG11 VAL A 92 -1.993 6.140 -4.939 1.00 13.04 H new ATOM 0 HG12 VAL A 92 -2.719 5.806 -6.529 1.00 13.04 H new ATOM 0 HG13 VAL A 92 -2.506 7.487 -5.984 1.00 13.04 H new ATOM 0 HG21 VAL A 92 -3.374 6.936 -3.077 1.00 3.40 H new ATOM 0 HG22 VAL A 92 -3.947 8.328 -4.026 1.00 3.40 H new ATOM 0 HG23 VAL A 92 -5.119 7.207 -3.293 1.00 3.40 H new ATOM 1431 N ALA A 93 -7.079 5.559 -5.369 1.00 54.34 N ATOM 1432 CA ALA A 93 -8.390 5.289 -4.811 1.00 63.34 C ATOM 1433 C ALA A 93 -8.278 4.826 -3.367 1.00 31.12 C ATOM 1434 O ALA A 93 -7.690 3.780 -3.079 1.00 51.21 O ATOM 1435 CB ALA A 93 -9.114 4.245 -5.647 1.00 12.35 C ATOM 0 H ALA A 93 -6.595 4.733 -5.721 1.00 54.34 H new ATOM 0 HA ALA A 93 -8.967 6.214 -4.828 1.00 63.34 H new ATOM 0 HB1 ALA A 93 -10.097 4.052 -5.217 1.00 12.35 H new ATOM 0 HB2 ALA A 93 -9.230 4.612 -6.667 1.00 12.35 H new ATOM 0 HB3 ALA A 93 -8.535 3.322 -5.657 1.00 12.35 H new ATOM 1441 N ALA A 94 -8.830 5.618 -2.462 1.00 44.40 N ATOM 1442 CA ALA A 94 -8.834 5.285 -1.050 1.00 0.03 C ATOM 1443 C ALA A 94 -10.179 4.691 -0.658 1.00 73.20 C ATOM 1444 O ALA A 94 -11.094 5.405 -0.242 1.00 63.12 O ATOM 1445 CB ALA A 94 -8.514 6.512 -0.204 1.00 44.52 C ATOM 0 H ALA A 94 -9.285 6.503 -2.685 1.00 44.40 H new ATOM 0 HA ALA A 94 -8.059 4.541 -0.864 1.00 0.03 H new ATOM 0 HB1 ALA A 94 -8.523 6.239 0.851 1.00 44.52 H new ATOM 0 HB2 ALA A 94 -7.528 6.892 -0.472 1.00 44.52 H new ATOM 0 HB3 ALA A 94 -9.262 7.284 -0.385 1.00 44.52 H new ATOM 1451 N TYR A 95 -10.303 3.384 -0.826 1.00 72.42 N ATOM 1452 CA TYR A 95 -11.551 2.692 -0.539 1.00 1.44 C ATOM 1453 C TYR A 95 -11.805 2.614 0.959 1.00 64.45 C ATOM 1454 O TYR A 95 -10.933 2.947 1.765 1.00 44.42 O ATOM 1455 CB TYR A 95 -11.541 1.289 -1.146 1.00 63.20 C ATOM 1456 CG TYR A 95 -11.477 1.295 -2.654 1.00 2.32 C ATOM 1457 CD1 TYR A 95 -12.577 1.682 -3.406 1.00 1.24 C ATOM 1458 CD2 TYR A 95 -10.316 0.934 -3.324 1.00 11.34 C ATOM 1459 CE1 TYR A 95 -12.525 1.705 -4.785 1.00 2.21 C ATOM 1460 CE2 TYR A 95 -10.254 0.959 -4.704 1.00 71.22 C ATOM 1461 CZ TYR A 95 -11.360 1.345 -5.431 1.00 45.52 C ATOM 1462 OH TYR A 95 -11.301 1.381 -6.803 1.00 44.55 O ATOM 0 H TYR A 95 -9.553 2.779 -1.160 1.00 72.42 H new ATOM 0 HA TYR A 95 -12.360 3.265 -0.992 1.00 1.44 H new ATOM 0 HB2 TYR A 95 -10.687 0.737 -0.755 1.00 63.20 H new ATOM 0 HB3 TYR A 95 -12.437 0.756 -0.829 1.00 63.20 H new ATOM 0 HD1 TYR A 95 -13.489 1.970 -2.904 1.00 1.24 H new ATOM 0 HD2 TYR A 95 -9.448 0.629 -2.758 1.00 11.34 H new ATOM 0 HE1 TYR A 95 -13.392 2.003 -5.356 1.00 2.21 H new ATOM 0 HE2 TYR A 95 -9.343 0.677 -5.211 1.00 71.22 H new ATOM 0 HH TYR A 95 -11.901 2.080 -7.138 1.00 44.55 H new ATOM 1472 N ASP A 96 -13.002 2.185 1.326 1.00 3.41 N ATOM 1473 CA ASP A 96 -13.371 2.078 2.730 1.00 22.33 C ATOM 1474 C ASP A 96 -12.874 0.763 3.309 1.00 14.21 C ATOM 1475 O ASP A 96 -12.997 -0.294 2.685 1.00 2.31 O ATOM 1476 CB ASP A 96 -14.886 2.193 2.912 1.00 14.33 C ATOM 1477 CG ASP A 96 -15.291 2.245 4.374 1.00 2.34 C ATOM 1478 OD1 ASP A 96 -14.678 3.017 5.140 1.00 10.42 O ATOM 1479 OD2 ASP A 96 -16.224 1.518 4.762 1.00 33.22 O ATOM 0 H ASP A 96 -13.734 1.905 0.673 1.00 3.41 H new ATOM 0 HA ASP A 96 -12.900 2.902 3.265 1.00 22.33 H new ATOM 0 HB2 ASP A 96 -15.243 3.091 2.407 1.00 14.33 H new ATOM 0 HB3 ASP A 96 -15.372 1.343 2.433 1.00 14.33 H new ATOM 1484 N THR A 97 -12.301 0.850 4.492 1.00 44.23 N ATOM 1485 CA THR A 97 -11.729 -0.299 5.169 1.00 14.55 C ATOM 1486 C THR A 97 -12.349 -0.435 6.554 1.00 1.52 C ATOM 1487 O THR A 97 -12.364 0.526 7.328 1.00 3.32 O ATOM 1488 CB THR A 97 -10.198 -0.140 5.314 1.00 72.15 C ATOM 1489 OG1 THR A 97 -9.893 0.996 6.131 1.00 51.40 O ATOM 1490 CG2 THR A 97 -9.535 0.037 3.960 1.00 53.13 C ATOM 0 H THR A 97 -12.218 1.722 5.014 1.00 44.23 H new ATOM 0 HA THR A 97 -11.938 -1.189 4.576 1.00 14.55 H new ATOM 0 HB THR A 97 -9.815 -1.047 5.781 1.00 72.15 H new ATOM 0 HG1 THR A 97 -10.684 1.245 6.653 1.00 51.40 H new ATOM 0 HG21 THR A 97 -8.459 0.146 4.093 1.00 53.13 H new ATOM 0 HG22 THR A 97 -9.737 -0.836 3.339 1.00 53.13 H new ATOM 0 HG23 THR A 97 -9.933 0.928 3.474 1.00 53.13 H new ATOM 1498 N GLN A 98 -12.868 -1.610 6.867 1.00 42.31 N ATOM 1499 CA GLN A 98 -13.473 -1.836 8.167 1.00 43.00 C ATOM 1500 C GLN A 98 -12.740 -2.925 8.929 1.00 42.05 C ATOM 1501 O GLN A 98 -12.326 -3.941 8.364 1.00 41.52 O ATOM 1502 CB GLN A 98 -14.955 -2.192 8.037 1.00 41.31 C ATOM 1503 CG GLN A 98 -15.223 -3.433 7.202 1.00 72.24 C ATOM 1504 CD GLN A 98 -16.701 -3.759 7.081 1.00 74.23 C ATOM 1505 OE1 GLN A 98 -17.140 -4.313 6.081 1.00 32.54 O ATOM 1506 NE2 GLN A 98 -17.476 -3.437 8.105 1.00 32.31 N ATOM 0 H GLN A 98 -12.883 -2.417 6.243 1.00 42.31 H new ATOM 0 HA GLN A 98 -13.392 -0.905 8.728 1.00 43.00 H new ATOM 0 HB2 GLN A 98 -15.371 -2.341 9.034 1.00 41.31 H new ATOM 0 HB3 GLN A 98 -15.483 -1.348 7.594 1.00 41.31 H new ATOM 0 HG2 GLN A 98 -14.805 -3.291 6.205 1.00 72.24 H new ATOM 0 HG3 GLN A 98 -14.704 -4.282 7.647 1.00 72.24 H new ATOM 0 HE21 GLN A 98 -17.076 -2.976 8.922 1.00 32.31 H new ATOM 0 HE22 GLN A 98 -18.473 -3.650 8.077 1.00 32.31 H new ATOM 1515 N VAL A 99 -12.571 -2.689 10.213 1.00 13.42 N ATOM 1516 CA VAL A 99 -11.958 -3.659 11.099 1.00 20.22 C ATOM 1517 C VAL A 99 -13.023 -4.240 12.015 1.00 33.22 C ATOM 1518 O VAL A 99 -13.295 -3.705 13.088 1.00 62.44 O ATOM 1519 CB VAL A 99 -10.830 -3.028 11.946 1.00 73.02 C ATOM 1520 CG1 VAL A 99 -10.143 -4.081 12.801 1.00 63.35 C ATOM 1521 CG2 VAL A 99 -9.822 -2.318 11.057 1.00 4.00 C ATOM 0 H VAL A 99 -12.853 -1.823 10.672 1.00 13.42 H new ATOM 0 HA VAL A 99 -11.513 -4.445 10.489 1.00 20.22 H new ATOM 0 HB VAL A 99 -11.279 -2.290 12.611 1.00 73.02 H new ATOM 0 HG11 VAL A 99 -9.353 -3.614 13.388 1.00 63.35 H new ATOM 0 HG12 VAL A 99 -10.871 -4.538 13.471 1.00 63.35 H new ATOM 0 HG13 VAL A 99 -9.712 -4.848 12.157 1.00 63.35 H new ATOM 0 HG21 VAL A 99 -9.037 -1.881 11.674 1.00 4.00 H new ATOM 0 HG22 VAL A 99 -9.382 -3.034 10.362 1.00 4.00 H new ATOM 0 HG23 VAL A 99 -10.324 -1.529 10.496 1.00 4.00 H new ATOM 1531 N THR A 100 -13.661 -5.308 11.563 1.00 73.44 N ATOM 1532 CA THR A 100 -14.751 -5.914 12.314 1.00 13.30 C ATOM 1533 C THR A 100 -14.214 -6.951 13.295 1.00 51.21 C ATOM 1534 O THR A 100 -14.845 -7.248 14.307 1.00 42.13 O ATOM 1535 CB THR A 100 -15.798 -6.557 11.369 1.00 33.41 C ATOM 1536 OG1 THR A 100 -16.941 -7.003 12.112 1.00 73.43 O ATOM 1537 CG2 THR A 100 -15.202 -7.728 10.598 1.00 12.31 C ATOM 0 H THR A 100 -13.444 -5.773 10.681 1.00 73.44 H new ATOM 0 HA THR A 100 -15.247 -5.123 12.876 1.00 13.30 H new ATOM 0 HB THR A 100 -16.108 -5.794 10.655 1.00 33.41 H new ATOM 0 HG1 THR A 100 -17.593 -7.405 11.500 1.00 73.43 H new ATOM 0 HG21 THR A 100 -15.961 -8.157 9.944 1.00 12.31 H new ATOM 0 HG22 THR A 100 -14.362 -7.379 9.998 1.00 12.31 H new ATOM 0 HG23 THR A 100 -14.856 -8.487 11.300 1.00 12.31 H new ATOM 1545 N ASN A 101 -13.033 -7.470 12.992 1.00 2.31 N ATOM 1546 CA ASN A 101 -12.364 -8.460 13.824 1.00 43.40 C ATOM 1547 C ASN A 101 -10.865 -8.229 13.750 1.00 70.32 C ATOM 1548 O ASN A 101 -10.425 -7.119 13.463 1.00 11.23 O ATOM 1549 CB ASN A 101 -12.699 -9.884 13.356 1.00 64.42 C ATOM 1550 CG ASN A 101 -14.036 -10.383 13.876 1.00 72.22 C ATOM 1551 OD1 ASN A 101 -14.454 -10.044 14.984 1.00 22.24 O ATOM 1552 ND2 ASN A 101 -14.717 -11.190 13.080 1.00 3.30 N ATOM 0 H ASN A 101 -12.508 -7.214 12.156 1.00 2.31 H new ATOM 0 HA ASN A 101 -12.708 -8.354 14.853 1.00 43.40 H new ATOM 0 HB2 ASN A 101 -12.707 -9.909 12.266 1.00 64.42 H new ATOM 0 HB3 ASN A 101 -11.912 -10.563 13.685 1.00 64.42 H new ATOM 0 HD21 ASN A 101 -15.622 -11.555 13.377 1.00 3.30 H new ATOM 0 HD22 ASN A 101 -14.337 -11.448 12.169 1.00 3.30 H new ATOM 1559 N GLY A 102 -10.085 -9.273 13.990 1.00 55.02 N ATOM 1560 CA GLY A 102 -8.640 -9.161 13.892 1.00 72.34 C ATOM 1561 C GLY A 102 -8.164 -9.090 12.451 1.00 41.24 C ATOM 1562 O GLY A 102 -6.966 -8.971 12.190 1.00 61.42 O ATOM 0 H GLY A 102 -10.426 -10.198 14.251 1.00 55.02 H new ATOM 0 HA2 GLY A 102 -8.310 -8.270 14.426 1.00 72.34 H new ATOM 0 HA3 GLY A 102 -8.177 -10.017 14.384 1.00 72.34 H new ATOM 1566 N ASN A 103 -9.107 -9.167 11.520 1.00 74.51 N ATOM 1567 CA ASN A 103 -8.804 -9.095 10.097 1.00 35.44 C ATOM 1568 C ASN A 103 -9.396 -7.819 9.498 1.00 1.35 C ATOM 1569 O ASN A 103 -10.318 -7.229 10.061 1.00 74.44 O ATOM 1570 CB ASN A 103 -9.350 -10.331 9.362 1.00 14.20 C ATOM 1571 CG ASN A 103 -8.641 -11.623 9.749 1.00 41.51 C ATOM 1572 OD1 ASN A 103 -8.148 -11.774 10.867 1.00 11.14 O ATOM 1573 ND2 ASN A 103 -8.593 -12.573 8.826 1.00 44.02 N ATOM 0 H ASN A 103 -10.099 -9.281 11.729 1.00 74.51 H new ATOM 0 HA ASN A 103 -7.721 -9.074 9.975 1.00 35.44 H new ATOM 0 HB2 ASN A 103 -10.414 -10.431 9.574 1.00 14.20 H new ATOM 0 HB3 ASN A 103 -9.252 -10.179 8.287 1.00 14.20 H new ATOM 0 HD21 ASN A 103 -8.137 -13.462 9.032 1.00 44.02 H new ATOM 0 HD22 ASN A 103 -9.012 -12.415 7.909 1.00 44.02 H new ATOM 1580 N VAL A 104 -8.861 -7.392 8.360 1.00 64.31 N ATOM 1581 CA VAL A 104 -9.286 -6.141 7.737 1.00 2.30 C ATOM 1582 C VAL A 104 -10.099 -6.390 6.466 1.00 1.10 C ATOM 1583 O VAL A 104 -9.667 -7.124 5.572 1.00 5.25 O ATOM 1584 CB VAL A 104 -8.072 -5.249 7.388 1.00 32.52 C ATOM 1585 CG1 VAL A 104 -8.520 -3.928 6.778 1.00 21.43 C ATOM 1586 CG2 VAL A 104 -7.217 -5.003 8.621 1.00 42.43 C ATOM 0 H VAL A 104 -8.133 -7.892 7.849 1.00 64.31 H new ATOM 0 HA VAL A 104 -9.915 -5.630 8.466 1.00 2.30 H new ATOM 0 HB VAL A 104 -7.470 -5.776 6.648 1.00 32.52 H new ATOM 0 HG11 VAL A 104 -7.646 -3.321 6.543 1.00 21.43 H new ATOM 0 HG12 VAL A 104 -9.084 -4.121 5.866 1.00 21.43 H new ATOM 0 HG13 VAL A 104 -9.151 -3.395 7.489 1.00 21.43 H new ATOM 0 HG21 VAL A 104 -6.368 -4.373 8.355 1.00 42.43 H new ATOM 0 HG22 VAL A 104 -7.814 -4.504 9.384 1.00 42.43 H new ATOM 0 HG23 VAL A 104 -6.855 -5.955 9.009 1.00 42.43 H new ATOM 1596 N GLN A 105 -11.270 -5.765 6.398 1.00 34.54 N ATOM 1597 CA GLN A 105 -12.140 -5.853 5.230 1.00 22.13 C ATOM 1598 C GLN A 105 -12.104 -4.548 4.440 1.00 51.13 C ATOM 1599 O GLN A 105 -12.295 -3.469 5.001 1.00 31.10 O ATOM 1600 CB GLN A 105 -13.580 -6.148 5.666 1.00 61.12 C ATOM 1601 CG GLN A 105 -13.821 -7.589 6.086 1.00 64.42 C ATOM 1602 CD GLN A 105 -14.038 -8.507 4.899 1.00 41.44 C ATOM 1603 OE1 GLN A 105 -13.531 -8.260 3.810 1.00 5.21 O ATOM 1604 NE2 GLN A 105 -14.795 -9.571 5.102 1.00 21.04 N ATOM 0 H GLN A 105 -11.642 -5.184 7.149 1.00 34.54 H new ATOM 0 HA GLN A 105 -11.782 -6.663 4.595 1.00 22.13 H new ATOM 0 HB2 GLN A 105 -13.838 -5.491 6.497 1.00 61.12 H new ATOM 0 HB3 GLN A 105 -14.254 -5.903 4.845 1.00 61.12 H new ATOM 0 HG2 GLN A 105 -12.968 -7.943 6.665 1.00 64.42 H new ATOM 0 HG3 GLN A 105 -14.692 -7.633 6.740 1.00 64.42 H new ATOM 0 HE21 GLN A 105 -15.199 -9.741 6.023 1.00 21.04 H new ATOM 0 HE22 GLN A 105 -14.976 -10.222 4.338 1.00 21.04 H new ATOM 1613 N ILE A 106 -11.839 -4.648 3.148 1.00 21.20 N ATOM 1614 CA ILE A 106 -11.852 -3.491 2.264 1.00 51.22 C ATOM 1615 C ILE A 106 -12.961 -3.633 1.227 1.00 13.02 C ATOM 1616 O ILE A 106 -13.283 -4.742 0.803 1.00 72.21 O ATOM 1617 CB ILE A 106 -10.483 -3.289 1.563 1.00 51.33 C ATOM 1618 CG1 ILE A 106 -10.086 -4.502 0.710 1.00 32.54 C ATOM 1619 CG2 ILE A 106 -9.408 -3.011 2.594 1.00 2.55 C ATOM 1620 CD1 ILE A 106 -10.523 -4.409 -0.736 1.00 33.41 C ATOM 0 H ILE A 106 -11.610 -5.527 2.683 1.00 21.20 H new ATOM 0 HA ILE A 106 -12.043 -2.609 2.875 1.00 51.22 H new ATOM 0 HB ILE A 106 -10.582 -2.434 0.894 1.00 51.33 H new ATOM 0 HG12 ILE A 106 -9.003 -4.618 0.744 1.00 32.54 H new ATOM 0 HG13 ILE A 106 -10.517 -5.400 1.152 1.00 32.54 H new ATOM 0 HG21 ILE A 106 -8.450 -2.871 2.092 1.00 2.55 H new ATOM 0 HG22 ILE A 106 -9.662 -2.109 3.150 1.00 2.55 H new ATOM 0 HG23 ILE A 106 -9.337 -3.853 3.282 1.00 2.55 H new ATOM 0 HD11 ILE A 106 -10.205 -5.304 -1.271 1.00 33.41 H new ATOM 0 HD12 ILE A 106 -11.609 -4.325 -0.783 1.00 33.41 H new ATOM 0 HD13 ILE A 106 -10.071 -3.531 -1.197 1.00 33.41 H new ATOM 1632 N SER A 107 -13.560 -2.520 0.829 1.00 13.40 N ATOM 1633 CA SER A 107 -14.650 -2.558 -0.130 1.00 21.20 C ATOM 1634 C SER A 107 -14.124 -2.420 -1.552 1.00 34.14 C ATOM 1635 O SER A 107 -13.404 -1.475 -1.875 1.00 33.21 O ATOM 1636 CB SER A 107 -15.667 -1.451 0.164 1.00 51.24 C ATOM 1637 OG SER A 107 -16.806 -1.567 -0.676 1.00 60.42 O ATOM 0 H SER A 107 -13.310 -1.586 1.154 1.00 13.40 H new ATOM 0 HA SER A 107 -15.147 -3.524 -0.036 1.00 21.20 H new ATOM 0 HB2 SER A 107 -15.975 -1.504 1.208 1.00 51.24 H new ATOM 0 HB3 SER A 107 -15.201 -0.477 0.018 1.00 51.24 H new ATOM 0 HG SER A 107 -17.441 -0.850 -0.467 1.00 60.42 H new ATOM 1643 N ILE A 108 -14.484 -3.372 -2.398 1.00 51.43 N ATOM 1644 CA ILE A 108 -14.121 -3.324 -3.804 1.00 64.23 C ATOM 1645 C ILE A 108 -15.283 -2.777 -4.631 1.00 12.14 C ATOM 1646 O ILE A 108 -16.258 -3.475 -4.899 1.00 21.30 O ATOM 1647 CB ILE A 108 -13.694 -4.710 -4.348 1.00 21.33 C ATOM 1648 CG1 ILE A 108 -14.696 -5.798 -3.936 1.00 4.31 C ATOM 1649 CG2 ILE A 108 -12.291 -5.058 -3.867 1.00 13.21 C ATOM 1650 CD1 ILE A 108 -14.399 -7.160 -4.532 1.00 4.33 C ATOM 0 H ILE A 108 -15.030 -4.191 -2.133 1.00 51.43 H new ATOM 0 HA ILE A 108 -13.262 -2.658 -3.892 1.00 64.23 H new ATOM 0 HB ILE A 108 -13.685 -4.661 -5.437 1.00 21.33 H new ATOM 0 HG12 ILE A 108 -14.702 -5.881 -2.849 1.00 4.31 H new ATOM 0 HG13 ILE A 108 -15.697 -5.490 -4.238 1.00 4.31 H new ATOM 0 HG21 ILE A 108 -12.004 -6.035 -4.257 1.00 13.21 H new ATOM 0 HG22 ILE A 108 -11.587 -4.305 -4.222 1.00 13.21 H new ATOM 0 HG23 ILE A 108 -12.276 -5.084 -2.777 1.00 13.21 H new ATOM 0 HD11 ILE A 108 -15.149 -7.876 -4.196 1.00 4.33 H new ATOM 0 HD12 ILE A 108 -14.422 -7.094 -5.620 1.00 4.33 H new ATOM 0 HD13 ILE A 108 -13.412 -7.491 -4.210 1.00 4.33 H new ATOM 1662 N ALA A 109 -15.183 -1.513 -5.013 1.00 12.12 N ATOM 1663 CA ALA A 109 -16.237 -0.865 -5.780 1.00 73.43 C ATOM 1664 C ALA A 109 -15.885 -0.816 -7.258 1.00 3.11 C ATOM 1665 O ALA A 109 -16.492 -0.068 -8.026 1.00 72.33 O ATOM 1666 CB ALA A 109 -16.493 0.535 -5.244 1.00 64.25 C ATOM 0 H ALA A 109 -14.383 -0.915 -4.805 1.00 12.12 H new ATOM 0 HA ALA A 109 -17.149 -1.453 -5.672 1.00 73.43 H new ATOM 0 HB1 ALA A 109 -17.283 1.009 -5.826 1.00 64.25 H new ATOM 0 HB2 ALA A 109 -16.798 0.474 -4.199 1.00 64.25 H new ATOM 0 HB3 ALA A 109 -15.581 1.127 -5.322 1.00 64.25 H new ATOM 1672 N ASP A 110 -14.922 -1.651 -7.633 1.00 74.31 N ATOM 1673 CA ASP A 110 -14.393 -1.720 -9.003 1.00 43.14 C ATOM 1674 C ASP A 110 -13.651 -0.444 -9.373 1.00 10.05 C ATOM 1675 O ASP A 110 -14.197 0.660 -9.332 1.00 40.12 O ATOM 1676 CB ASP A 110 -15.506 -1.997 -10.020 1.00 31.54 C ATOM 1677 CG ASP A 110 -14.992 -2.337 -11.412 1.00 0.34 C ATOM 1678 OD1 ASP A 110 -14.182 -1.569 -11.972 1.00 2.31 O ATOM 1679 OD2 ASP A 110 -15.429 -3.365 -11.973 1.00 15.42 O ATOM 0 H ASP A 110 -14.478 -2.309 -6.992 1.00 74.31 H new ATOM 0 HA ASP A 110 -13.688 -2.551 -9.033 1.00 43.14 H new ATOM 0 HB2 ASP A 110 -16.120 -2.821 -9.658 1.00 31.54 H new ATOM 0 HB3 ASP A 110 -16.153 -1.122 -10.085 1.00 31.54 H new ATOM 1684 N SER A 111 -12.401 -0.613 -9.739 1.00 72.13 N ATOM 1685 CA SER A 111 -11.560 0.507 -10.126 1.00 45.13 C ATOM 1686 C SER A 111 -11.671 0.747 -11.631 1.00 63.22 C ATOM 1687 O SER A 111 -12.330 1.687 -12.077 1.00 31.23 O ATOM 1688 CB SER A 111 -10.103 0.226 -9.742 1.00 45.03 C ATOM 1689 OG SER A 111 -10.011 -0.288 -8.422 1.00 62.12 O ATOM 0 H SER A 111 -11.937 -1.521 -9.778 1.00 72.13 H new ATOM 0 HA SER A 111 -11.896 1.401 -9.601 1.00 45.13 H new ATOM 0 HB2 SER A 111 -9.670 -0.487 -10.444 1.00 45.03 H new ATOM 0 HB3 SER A 111 -9.520 1.144 -9.819 1.00 45.03 H new ATOM 0 HG SER A 111 -10.465 0.320 -7.802 1.00 62.12 H new ATOM 1695 N ASP A 112 -11.027 -0.125 -12.397 1.00 61.23 N ATOM 1696 CA ASP A 112 -11.058 -0.081 -13.858 1.00 5.31 C ATOM 1697 C ASP A 112 -10.338 -1.319 -14.380 1.00 10.15 C ATOM 1698 O ASP A 112 -9.671 -1.299 -15.412 1.00 1.13 O ATOM 1699 CB ASP A 112 -10.385 1.199 -14.379 1.00 64.35 C ATOM 1700 CG ASP A 112 -10.643 1.440 -15.855 1.00 64.41 C ATOM 1701 OD1 ASP A 112 -11.774 1.839 -16.204 1.00 45.42 O ATOM 1702 OD2 ASP A 112 -9.718 1.247 -16.668 1.00 21.22 O ATOM 0 H ASP A 112 -10.464 -0.888 -12.022 1.00 61.23 H new ATOM 0 HA ASP A 112 -12.090 -0.070 -14.210 1.00 5.31 H new ATOM 0 HB2 ASP A 112 -10.748 2.053 -13.807 1.00 64.35 H new ATOM 0 HB3 ASP A 112 -9.310 1.134 -14.208 1.00 64.35 H new ATOM 1707 N VAL A 113 -10.506 -2.411 -13.653 1.00 63.21 N ATOM 1708 CA VAL A 113 -9.725 -3.614 -13.882 1.00 53.51 C ATOM 1709 C VAL A 113 -10.274 -4.452 -15.037 1.00 11.41 C ATOM 1710 O VAL A 113 -11.488 -4.578 -15.223 1.00 13.23 O ATOM 1711 CB VAL A 113 -9.655 -4.476 -12.597 1.00 54.21 C ATOM 1712 CG1 VAL A 113 -11.049 -4.884 -12.141 1.00 51.32 C ATOM 1713 CG2 VAL A 113 -8.775 -5.704 -12.804 1.00 21.25 C ATOM 0 H VAL A 113 -11.182 -2.488 -12.893 1.00 63.21 H new ATOM 0 HA VAL A 113 -8.721 -3.288 -14.155 1.00 53.51 H new ATOM 0 HB VAL A 113 -9.203 -3.868 -11.813 1.00 54.21 H new ATOM 0 HG11 VAL A 113 -10.974 -5.489 -11.237 1.00 51.32 H new ATOM 0 HG12 VAL A 113 -11.639 -3.992 -11.933 1.00 51.32 H new ATOM 0 HG13 VAL A 113 -11.533 -5.464 -12.926 1.00 51.32 H new ATOM 0 HG21 VAL A 113 -8.745 -6.289 -11.885 1.00 21.25 H new ATOM 0 HG22 VAL A 113 -9.185 -6.314 -13.609 1.00 21.25 H new ATOM 0 HG23 VAL A 113 -7.765 -5.388 -13.066 1.00 21.25 H new ATOM 1723 N ALA A 114 -9.359 -4.983 -15.827 1.00 54.33 N ATOM 1724 CA ALA A 114 -9.672 -6.006 -16.803 1.00 24.02 C ATOM 1725 C ALA A 114 -9.086 -7.318 -16.307 1.00 40.02 C ATOM 1726 O ALA A 114 -7.864 -7.460 -16.219 1.00 1.10 O ATOM 1727 CB ALA A 114 -9.116 -5.638 -18.170 1.00 44.42 C ATOM 0 H ALA A 114 -8.375 -4.715 -15.808 1.00 54.33 H new ATOM 0 HA ALA A 114 -10.752 -6.101 -16.916 1.00 24.02 H new ATOM 0 HB1 ALA A 114 -9.364 -6.421 -18.886 1.00 44.42 H new ATOM 0 HB2 ALA A 114 -9.552 -4.695 -18.498 1.00 44.42 H new ATOM 0 HB3 ALA A 114 -8.033 -5.534 -18.106 1.00 44.42 H new ATOM 1733 N VAL A 115 -9.951 -8.253 -15.947 1.00 52.12 N ATOM 1734 CA VAL A 115 -9.523 -9.466 -15.269 1.00 72.21 C ATOM 1735 C VAL A 115 -8.699 -10.361 -16.181 1.00 3.52 C ATOM 1736 O VAL A 115 -9.230 -11.139 -16.977 1.00 50.31 O ATOM 1737 CB VAL A 115 -10.707 -10.274 -14.720 1.00 73.03 C ATOM 1738 CG1 VAL A 115 -10.218 -11.431 -13.860 1.00 1.12 C ATOM 1739 CG2 VAL A 115 -11.655 -9.380 -13.934 1.00 23.25 C ATOM 0 H VAL A 115 -10.956 -8.195 -16.114 1.00 52.12 H new ATOM 0 HA VAL A 115 -8.906 -9.135 -14.434 1.00 72.21 H new ATOM 0 HB VAL A 115 -11.256 -10.688 -15.566 1.00 73.03 H new ATOM 0 HG11 VAL A 115 -11.074 -11.990 -13.481 1.00 1.12 H new ATOM 0 HG12 VAL A 115 -9.590 -12.090 -14.460 1.00 1.12 H new ATOM 0 HG13 VAL A 115 -9.639 -11.042 -13.022 1.00 1.12 H new ATOM 0 HG21 VAL A 115 -12.486 -9.975 -13.555 1.00 23.25 H new ATOM 0 HG22 VAL A 115 -11.121 -8.929 -13.098 1.00 23.25 H new ATOM 0 HG23 VAL A 115 -12.039 -8.595 -14.585 1.00 23.25 H new ATOM 1749 N ASP A 116 -7.401 -10.208 -16.060 1.00 31.42 N ATOM 1750 CA ASP A 116 -6.438 -11.067 -16.726 1.00 44.43 C ATOM 1751 C ASP A 116 -5.768 -11.908 -15.645 1.00 33.30 C ATOM 1752 O ASP A 116 -6.305 -12.021 -14.542 1.00 3.24 O ATOM 1753 CB ASP A 116 -5.409 -10.216 -17.486 1.00 2.44 C ATOM 1754 CG ASP A 116 -4.660 -10.995 -18.551 1.00 13.42 C ATOM 1755 OD1 ASP A 116 -5.135 -11.041 -19.706 1.00 2.32 O ATOM 1756 OD2 ASP A 116 -3.593 -11.559 -18.246 1.00 45.32 O ATOM 0 H ASP A 116 -6.975 -9.477 -15.491 1.00 31.42 H new ATOM 0 HA ASP A 116 -6.923 -11.713 -17.458 1.00 44.43 H new ATOM 0 HB2 ASP A 116 -5.918 -9.372 -17.952 1.00 2.44 H new ATOM 0 HB3 ASP A 116 -4.693 -9.803 -16.776 1.00 2.44 H new ATOM 1761 N ASN A 117 -4.616 -12.488 -15.917 1.00 4.43 N ATOM 1762 CA ASN A 117 -3.933 -13.245 -14.886 1.00 52.21 C ATOM 1763 C ASN A 117 -2.985 -12.319 -14.123 1.00 31.11 C ATOM 1764 O ASN A 117 -2.049 -11.750 -14.683 1.00 62.51 O ATOM 1765 CB ASN A 117 -3.207 -14.482 -15.459 1.00 71.34 C ATOM 1766 CG ASN A 117 -1.787 -14.217 -15.927 1.00 5.25 C ATOM 1767 OD1 ASN A 117 -0.842 -14.306 -15.140 1.00 2.44 O ATOM 1768 ND2 ASN A 117 -1.623 -13.915 -17.206 1.00 3.12 N ATOM 0 H ASN A 117 -4.142 -12.453 -16.820 1.00 4.43 H new ATOM 0 HA ASN A 117 -4.674 -13.636 -14.188 1.00 52.21 H new ATOM 0 HB2 ASN A 117 -3.186 -15.261 -14.697 1.00 71.34 H new ATOM 0 HB3 ASN A 117 -3.786 -14.872 -16.297 1.00 71.34 H new ATOM 0 HD21 ASN A 117 -0.687 -13.746 -17.574 1.00 3.12 H new ATOM 0 HD22 ASN A 117 -2.433 -13.852 -17.823 1.00 3.12 H new ATOM 1775 N SER A 118 -3.276 -12.115 -12.847 1.00 5.23 N ATOM 1776 CA SER A 118 -2.447 -11.264 -12.004 1.00 72.15 C ATOM 1777 C SER A 118 -1.400 -12.097 -11.279 1.00 41.14 C ATOM 1778 O SER A 118 -0.727 -11.606 -10.374 1.00 52.41 O ATOM 1779 CB SER A 118 -3.323 -10.514 -10.999 1.00 52.13 C ATOM 1780 OG SER A 118 -4.373 -9.830 -11.661 1.00 54.31 O ATOM 0 H SER A 118 -4.079 -12.526 -12.372 1.00 5.23 H new ATOM 0 HA SER A 118 -1.933 -10.537 -12.633 1.00 72.15 H new ATOM 0 HB2 SER A 118 -3.739 -11.216 -10.276 1.00 52.13 H new ATOM 0 HB3 SER A 118 -2.715 -9.803 -10.439 1.00 52.13 H new ATOM 0 HG SER A 118 -4.923 -9.358 -11.001 1.00 54.31 H new ATOM 1786 N GLN A 119 -1.264 -13.352 -11.715 1.00 14.54 N ATOM 1787 CA GLN A 119 -0.335 -14.310 -11.119 1.00 2.53 C ATOM 1788 C GLN A 119 -0.787 -14.719 -9.720 1.00 13.34 C ATOM 1789 O GLN A 119 -0.932 -13.881 -8.830 1.00 41.53 O ATOM 1790 CB GLN A 119 1.093 -13.747 -11.067 1.00 62.11 C ATOM 1791 CG GLN A 119 1.775 -13.651 -12.424 1.00 51.34 C ATOM 1792 CD GLN A 119 2.108 -15.012 -13.005 1.00 14.53 C ATOM 1793 OE1 GLN A 119 3.170 -15.567 -12.728 1.00 41.44 O ATOM 1794 NE2 GLN A 119 1.224 -15.550 -13.835 1.00 62.12 N ATOM 0 H GLN A 119 -1.799 -13.732 -12.496 1.00 14.54 H new ATOM 0 HA GLN A 119 -0.333 -15.195 -11.756 1.00 2.53 H new ATOM 0 HB2 GLN A 119 1.064 -12.755 -10.616 1.00 62.11 H new ATOM 0 HB3 GLN A 119 1.696 -14.377 -10.413 1.00 62.11 H new ATOM 0 HG2 GLN A 119 1.126 -13.113 -13.116 1.00 51.34 H new ATOM 0 HG3 GLN A 119 2.690 -13.067 -12.326 1.00 51.34 H new ATOM 0 HE21 GLN A 119 0.354 -15.060 -14.041 1.00 62.12 H new ATOM 0 HE22 GLN A 119 1.415 -16.454 -14.267 1.00 62.12 H new ATOM 1803 N PRO A 120 -1.045 -16.017 -9.513 1.00 55.23 N ATOM 1804 CA PRO A 120 -1.340 -16.553 -8.186 1.00 12.52 C ATOM 1805 C PRO A 120 -0.098 -16.501 -7.305 1.00 5.14 C ATOM 1806 O PRO A 120 0.720 -17.420 -7.310 1.00 34.32 O ATOM 1807 CB PRO A 120 -1.757 -18.009 -8.451 1.00 12.20 C ATOM 1808 CG PRO A 120 -1.981 -18.095 -9.925 1.00 42.22 C ATOM 1809 CD PRO A 120 -1.079 -17.064 -10.541 1.00 13.12 C ATOM 0 HA PRO A 120 -2.113 -15.987 -7.666 1.00 12.52 H new ATOM 0 HB2 PRO A 120 -0.981 -18.704 -8.130 1.00 12.20 H new ATOM 0 HB3 PRO A 120 -2.662 -18.265 -7.900 1.00 12.20 H new ATOM 0 HG2 PRO A 120 -1.746 -19.092 -10.298 1.00 42.22 H new ATOM 0 HG3 PRO A 120 -3.024 -17.899 -10.173 1.00 42.22 H new ATOM 0 HD2 PRO A 120 -0.086 -17.464 -10.746 1.00 13.12 H new ATOM 0 HD3 PRO A 120 -1.474 -16.692 -11.486 1.00 13.12 H new ATOM 1817 N LEU A 121 0.061 -15.396 -6.593 1.00 62.25 N ATOM 1818 CA LEU A 121 1.252 -15.157 -5.797 1.00 30.03 C ATOM 1819 C LEU A 121 1.024 -15.541 -4.342 1.00 45.23 C ATOM 1820 O LEU A 121 0.283 -14.869 -3.618 1.00 23.50 O ATOM 1821 CB LEU A 121 1.659 -13.685 -5.886 1.00 51.15 C ATOM 1822 CG LEU A 121 2.061 -13.199 -7.281 1.00 2.50 C ATOM 1823 CD1 LEU A 121 2.379 -11.712 -7.256 1.00 44.41 C ATOM 1824 CD2 LEU A 121 3.257 -13.983 -7.792 1.00 43.41 C ATOM 0 H LEU A 121 -0.628 -14.645 -6.551 1.00 62.25 H new ATOM 0 HA LEU A 121 2.054 -15.778 -6.195 1.00 30.03 H new ATOM 0 HB2 LEU A 121 0.829 -13.074 -5.532 1.00 51.15 H new ATOM 0 HB3 LEU A 121 2.493 -13.514 -5.206 1.00 51.15 H new ATOM 0 HG LEU A 121 1.222 -13.364 -7.957 1.00 2.50 H new ATOM 0 HD11 LEU A 121 2.663 -11.384 -8.256 1.00 44.41 H new ATOM 0 HD12 LEU A 121 1.500 -11.157 -6.928 1.00 44.41 H new ATOM 0 HD13 LEU A 121 3.203 -11.528 -6.566 1.00 44.41 H new ATOM 0 HD21 LEU A 121 3.530 -13.625 -8.785 1.00 43.41 H new ATOM 0 HD22 LEU A 121 4.099 -13.846 -7.113 1.00 43.41 H new ATOM 0 HD23 LEU A 121 3.002 -15.041 -7.845 1.00 43.41 H new ATOM 1836 N PRO A 122 1.643 -16.639 -3.901 1.00 1.02 N ATOM 1837 CA PRO A 122 1.582 -17.093 -2.529 1.00 23.24 C ATOM 1838 C PRO A 122 2.799 -16.641 -1.723 1.00 3.21 C ATOM 1839 O PRO A 122 3.671 -17.448 -1.387 1.00 72.51 O ATOM 1840 CB PRO A 122 1.574 -18.615 -2.693 1.00 15.20 C ATOM 1841 CG PRO A 122 2.267 -18.887 -4.000 1.00 34.43 C ATOM 1842 CD PRO A 122 2.440 -17.562 -4.711 1.00 62.11 C ATOM 0 HA PRO A 122 0.724 -16.697 -1.985 1.00 23.24 H new ATOM 0 HB2 PRO A 122 2.093 -19.101 -1.866 1.00 15.20 H new ATOM 0 HB3 PRO A 122 0.555 -19.003 -2.702 1.00 15.20 H new ATOM 0 HG2 PRO A 122 3.235 -19.359 -3.829 1.00 34.43 H new ATOM 0 HG3 PRO A 122 1.680 -19.574 -4.609 1.00 34.43 H new ATOM 0 HD2 PRO A 122 3.487 -17.261 -4.751 1.00 62.11 H new ATOM 0 HD3 PRO A 122 2.081 -17.607 -5.739 1.00 62.11 H new ATOM 1850 N LEU A 123 2.875 -15.348 -1.437 1.00 23.13 N ATOM 1851 CA LEU A 123 3.957 -14.822 -0.618 1.00 62.21 C ATOM 1852 C LEU A 123 3.730 -15.220 0.828 1.00 0.42 C ATOM 1853 O LEU A 123 2.757 -14.790 1.450 1.00 3.22 O ATOM 1854 CB LEU A 123 4.057 -13.291 -0.726 1.00 63.04 C ATOM 1855 CG LEU A 123 4.705 -12.747 -2.007 1.00 3.05 C ATOM 1856 CD1 LEU A 123 6.051 -13.409 -2.247 1.00 24.33 C ATOM 1857 CD2 LEU A 123 3.790 -12.934 -3.204 1.00 71.33 C ATOM 0 H LEU A 123 2.205 -14.649 -1.758 1.00 23.13 H new ATOM 0 HA LEU A 123 4.895 -15.243 -0.981 1.00 62.21 H new ATOM 0 HB2 LEU A 123 3.053 -12.875 -0.646 1.00 63.04 H new ATOM 0 HB3 LEU A 123 4.624 -12.923 0.129 1.00 63.04 H new ATOM 0 HG LEU A 123 4.867 -11.677 -1.876 1.00 3.05 H new ATOM 0 HD11 LEU A 123 6.495 -13.011 -3.159 1.00 24.33 H new ATOM 0 HD12 LEU A 123 6.711 -13.207 -1.404 1.00 24.33 H new ATOM 0 HD13 LEU A 123 5.914 -14.485 -2.350 1.00 24.33 H new ATOM 0 HD21 LEU A 123 4.274 -12.540 -4.097 1.00 71.33 H new ATOM 0 HD22 LEU A 123 3.583 -13.995 -3.342 1.00 71.33 H new ATOM 0 HD23 LEU A 123 2.854 -12.401 -3.034 1.00 71.33 H new ATOM 1869 N GLU A 124 4.604 -16.056 1.359 1.00 43.02 N ATOM 1870 CA GLU A 124 4.440 -16.541 2.712 1.00 25.20 C ATOM 1871 C GLU A 124 4.762 -15.443 3.710 1.00 11.33 C ATOM 1872 O GLU A 124 5.820 -14.814 3.645 1.00 12.21 O ATOM 1873 CB GLU A 124 5.309 -17.773 2.964 1.00 62.22 C ATOM 1874 CG GLU A 124 5.157 -18.338 4.367 1.00 33.14 C ATOM 1875 CD GLU A 124 5.652 -19.761 4.481 1.00 13.12 C ATOM 1876 OE1 GLU A 124 4.873 -20.686 4.173 1.00 72.13 O ATOM 1877 OE2 GLU A 124 6.814 -19.967 4.887 1.00 61.23 O ATOM 0 H GLU A 124 5.429 -16.410 0.875 1.00 43.02 H new ATOM 0 HA GLU A 124 3.399 -16.835 2.844 1.00 25.20 H new ATOM 0 HB2 GLU A 124 5.052 -18.545 2.239 1.00 62.22 H new ATOM 0 HB3 GLU A 124 6.354 -17.513 2.796 1.00 62.22 H new ATOM 0 HG2 GLU A 124 5.706 -17.710 5.068 1.00 33.14 H new ATOM 0 HG3 GLU A 124 4.107 -18.299 4.658 1.00 33.14 H new ATOM 1884 N HIS A 125 3.831 -15.200 4.616 1.00 25.44 N ATOM 1885 CA HIS A 125 4.018 -14.209 5.656 1.00 25.15 C ATOM 1886 C HIS A 125 4.990 -14.738 6.705 1.00 75.41 C ATOM 1887 O HIS A 125 4.598 -15.122 7.808 1.00 52.33 O ATOM 1888 CB HIS A 125 2.667 -13.843 6.277 1.00 64.22 C ATOM 1889 CG HIS A 125 2.736 -12.753 7.300 1.00 31.23 C ATOM 1890 ND1 HIS A 125 2.966 -11.435 6.983 1.00 31.03 N ATOM 1891 CD2 HIS A 125 2.581 -12.794 8.638 1.00 73.51 C ATOM 1892 CE1 HIS A 125 2.947 -10.711 8.085 1.00 24.31 C ATOM 1893 NE2 HIS A 125 2.712 -11.511 9.110 1.00 71.52 N ATOM 0 H HIS A 125 2.932 -15.681 4.650 1.00 25.44 H new ATOM 0 HA HIS A 125 4.446 -13.303 5.226 1.00 25.15 H new ATOM 0 HB2 HIS A 125 1.986 -13.538 5.483 1.00 64.22 H new ATOM 0 HB3 HIS A 125 2.239 -14.733 6.739 1.00 64.22 H new ATOM 0 HD2 HIS A 125 2.389 -13.676 9.231 1.00 73.51 H new ATOM 0 HE1 HIS A 125 3.098 -9.643 8.140 1.00 24.31 H new ATOM 0 HE2 HIS A 125 2.640 -11.224 10.086 1.00 71.52 H new ATOM 1902 N HIS A 126 6.261 -14.785 6.334 1.00 21.14 N ATOM 1903 CA HIS A 126 7.290 -15.320 7.207 1.00 73.40 C ATOM 1904 C HIS A 126 7.689 -14.308 8.273 1.00 34.22 C ATOM 1905 O HIS A 126 8.634 -13.539 8.110 1.00 64.34 O ATOM 1906 CB HIS A 126 8.520 -15.800 6.406 1.00 34.54 C ATOM 1907 CG HIS A 126 9.169 -14.758 5.536 1.00 64.40 C ATOM 1908 ND1 HIS A 126 10.425 -14.241 5.784 1.00 25.25 N ATOM 1909 CD2 HIS A 126 8.733 -14.146 4.410 1.00 54.22 C ATOM 1910 CE1 HIS A 126 10.727 -13.360 4.849 1.00 72.44 C ATOM 1911 NE2 HIS A 126 9.718 -13.285 4.006 1.00 65.23 N ATOM 0 H HIS A 126 6.603 -14.457 5.431 1.00 21.14 H new ATOM 0 HA HIS A 126 6.869 -16.189 7.713 1.00 73.40 H new ATOM 0 HB2 HIS A 126 9.264 -16.179 7.107 1.00 34.54 H new ATOM 0 HB3 HIS A 126 8.219 -16.638 5.777 1.00 34.54 H new ATOM 0 HD2 HIS A 126 7.784 -14.307 3.921 1.00 54.22 H new ATOM 0 HE1 HIS A 126 11.646 -12.796 4.786 1.00 72.44 H new ATOM 0 HE2 HIS A 126 9.677 -12.682 3.184 1.00 65.23 H new ATOM 1920 N HIS A 127 6.919 -14.278 9.343 1.00 73.03 N ATOM 1921 CA HIS A 127 7.280 -13.502 10.511 1.00 23.04 C ATOM 1922 C HIS A 127 7.926 -14.439 11.512 1.00 0.24 C ATOM 1923 O HIS A 127 7.238 -15.103 12.290 1.00 20.23 O ATOM 1924 CB HIS A 127 6.050 -12.815 11.112 1.00 71.13 C ATOM 1925 CG HIS A 127 6.368 -11.889 12.245 1.00 3.01 C ATOM 1926 ND1 HIS A 127 5.707 -11.924 13.454 1.00 10.42 N ATOM 1927 CD2 HIS A 127 7.263 -10.876 12.340 1.00 52.01 C ATOM 1928 CE1 HIS A 127 6.179 -10.977 14.241 1.00 2.12 C ATOM 1929 NE2 HIS A 127 7.123 -10.327 13.589 1.00 3.12 N ATOM 0 H HIS A 127 6.037 -14.784 9.427 1.00 73.03 H new ATOM 0 HA HIS A 127 7.980 -12.713 10.236 1.00 23.04 H new ATOM 0 HB2 HIS A 127 5.540 -12.254 10.329 1.00 71.13 H new ATOM 0 HB3 HIS A 127 5.355 -13.578 11.463 1.00 71.13 H new ATOM 0 HD2 HIS A 127 7.957 -10.560 11.575 1.00 52.01 H new ATOM 0 HE1 HIS A 127 5.849 -10.769 15.248 1.00 2.12 H new ATOM 0 HE2 HIS A 127 7.662 -9.542 13.955 1.00 3.12 H new ATOM 1938 N HIS A 128 9.245 -14.515 11.451 1.00 62.21 N ATOM 1939 CA HIS A 128 9.996 -15.516 12.191 1.00 3.45 C ATOM 1940 C HIS A 128 9.755 -15.379 13.686 1.00 24.41 C ATOM 1941 O HIS A 128 9.938 -14.307 14.266 1.00 63.23 O ATOM 1942 CB HIS A 128 11.488 -15.409 11.871 1.00 0.14 C ATOM 1943 CG HIS A 128 12.217 -16.714 11.988 1.00 22.41 C ATOM 1944 ND1 HIS A 128 12.203 -17.669 10.994 1.00 25.31 N ATOM 1945 CD2 HIS A 128 12.984 -17.225 12.981 1.00 31.43 C ATOM 1946 CE1 HIS A 128 12.924 -18.706 11.370 1.00 52.14 C ATOM 1947 NE2 HIS A 128 13.410 -18.463 12.570 1.00 0.53 N ATOM 0 H HIS A 128 9.823 -13.889 10.891 1.00 62.21 H new ATOM 0 HA HIS A 128 9.647 -16.502 11.883 1.00 3.45 H new ATOM 0 HB2 HIS A 128 11.608 -15.024 10.858 1.00 0.14 H new ATOM 0 HB3 HIS A 128 11.945 -14.684 12.544 1.00 0.14 H new ATOM 0 HD2 HIS A 128 13.217 -16.747 13.921 1.00 31.43 H new ATOM 0 HE1 HIS A 128 13.089 -19.603 10.792 1.00 52.14 H new ATOM 0 HE2 HIS A 128 14.006 -19.093 13.107 1.00 0.53 H new ATOM 1956 N HIS A 129 9.330 -16.472 14.296 1.00 15.23 N ATOM 1957 CA HIS A 129 8.994 -16.495 15.714 1.00 44.43 C ATOM 1958 C HIS A 129 9.571 -17.734 16.378 1.00 63.32 C ATOM 1959 O HIS A 129 10.270 -18.523 15.738 1.00 44.44 O ATOM 1960 CB HIS A 129 7.468 -16.464 15.911 1.00 5.31 C ATOM 1961 CG HIS A 129 6.721 -17.557 15.191 1.00 22.52 C ATOM 1962 ND1 HIS A 129 6.533 -18.827 15.707 1.00 64.20 N ATOM 1963 CD2 HIS A 129 6.102 -17.552 13.986 1.00 24.11 C ATOM 1964 CE1 HIS A 129 5.834 -19.549 14.849 1.00 71.21 C ATOM 1965 NE2 HIS A 129 5.562 -18.798 13.799 1.00 20.14 N ATOM 0 H HIS A 129 9.207 -17.369 13.825 1.00 15.23 H new ATOM 0 HA HIS A 129 9.427 -15.609 16.178 1.00 44.43 H new ATOM 0 HB2 HIS A 129 7.251 -16.535 16.977 1.00 5.31 H new ATOM 0 HB3 HIS A 129 7.090 -15.499 15.572 1.00 5.31 H new ATOM 0 HD1 HIS A 129 6.880 -19.155 16.609 1.00 64.20 H new ATOM 0 HD2 HIS A 129 6.045 -16.720 13.300 1.00 24.11 H new ATOM 0 HE1 HIS A 129 5.536 -20.578 14.984 1.00 71.21 H new ATOM 1974 N HIS A 130 9.281 -17.896 17.659 1.00 3.15 N ATOM 1975 CA HIS A 130 9.658 -19.104 18.376 1.00 23.41 C ATOM 1976 C HIS A 130 8.750 -20.238 17.936 1.00 61.51 C ATOM 1977 O HIS A 130 9.266 -21.301 17.538 1.00 37.80 O ATOM 1978 CB HIS A 130 9.556 -18.916 19.894 1.00 4.12 C ATOM 1979 CG HIS A 130 10.443 -17.839 20.442 1.00 25.11 C ATOM 1980 ND1 HIS A 130 11.793 -18.009 20.669 1.00 63.11 N ATOM 1981 CD2 HIS A 130 10.161 -16.568 20.812 1.00 0.43 C ATOM 1982 CE1 HIS A 130 12.299 -16.890 21.153 1.00 25.23 C ATOM 1983 NE2 HIS A 130 11.329 -16.002 21.247 1.00 41.22 N ATOM 1984 OXT HIS A 130 7.517 -20.030 17.937 1.00 37.80 O ATOM 0 H HIS A 130 8.786 -17.206 18.224 1.00 3.15 H new ATOM 0 HA HIS A 130 10.697 -19.336 18.143 1.00 23.41 H new ATOM 0 HB2 HIS A 130 8.522 -18.685 20.151 1.00 4.12 H new ATOM 0 HB3 HIS A 130 9.803 -19.858 20.383 1.00 4.12 H new ATOM 0 HD2 HIS A 130 9.194 -16.089 20.772 1.00 0.43 H new ATOM 0 HE1 HIS A 130 13.332 -16.729 21.426 1.00 25.23 H new ATOM 0 HE2 HIS A 130 11.432 -15.047 21.589 1.00 41.22 H new TER 1993 HIS A 130