USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=26 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 9 LYS NZ :NH3+ -119:sc= 0.839 (180deg=-0.179) USER MOD Set 1.2: A 103 ASN : amide:sc= -1.16! C(o=-0.32!,f=-11!) USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 98 GLN : amide:sc= -0.689 K(o=-0.31,f=1.2) USER MOD Set 2.3: A 105 GLN : amide:sc= 0.377 K(o=-0.31,f=1.2) USER MOD Set 3.1: A 84 CYS SG : rot -69:sc= -1.28 USER MOD Set 3.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 44 ASN : amide:sc= -2.23! C(o=-2.4!,f=-5.7!) USER MOD Set 4.2: A 55 SER OG : rot -20:sc= -0.196! USER MOD Set 5.1: A 27 GLN : amide:sc= 1.1 K(o=2.1,f=-1.4) USER MOD Set 5.2: A 50 GLN : amide:sc= 1.03 K(o=2.1,f=-0.83) USER MOD Set 6.1: A 26 GLN : amide:sc= -1.95! K(o=1.2!,f=2.7) USER MOD Set 6.2: A 43 SER OG : rot -53:sc= 1.26 USER MOD Set 6.3: A 95 TYR OH : rot 180:sc= 0.877 USER MOD Set 6.4: A 111 SER OG : rot 164:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.109 (180deg=-0.555) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 8 CYS SG : rot -0:sc= -0.229 USER MOD Single : A 17 THR OG1 : rot 42:sc= 0.486 USER MOD Single : A 20 CYS SG : rot 43:sc= -2.09! USER MOD Single : A 25 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.067) USER MOD Single : A 35 ASN : amide:sc= -0.0134 K(o=-0.013,f=-0.76) USER MOD Single : A 38 GLN : amide:sc= -5.56! C(o=-5.6!,f=-6.2!) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.715 USER MOD Single : A 52 SER OG : rot 80:sc= -2.46! USER MOD Single : A 62 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=-0.016) USER MOD Single : A 63 GLN : amide:sc= -0.0124 K(o=-0.012,f=-1.1) USER MOD Single : A 70 SER OG : rot 178:sc= 0.00817 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 1.12 (180deg=0.97) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= 1.11 (180deg=0.841) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -34:sc= 0.195 USER MOD Single : A 101 ASN : amide:sc= -0.347 K(o=-0.35,f=-5.9!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.061) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HE2:sc= 0.671 K(o=0.67,f=-5.1!) USER MOD Single : A 127 HIS : no HD1:sc= -0.0062 X(o=-0.0062,f=-0.028) USER MOD Single : A 128 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.163 -4.894 4.297 1.00 14.42 N ATOM 2 CA MET A 1 -20.922 -5.637 3.985 1.00 33.12 C ATOM 3 C MET A 1 -21.180 -6.698 2.920 1.00 14.44 C ATOM 4 O MET A 1 -21.703 -7.773 3.213 1.00 14.35 O ATOM 5 CB MET A 1 -20.359 -6.287 5.256 1.00 55.41 C ATOM 6 CG MET A 1 -19.122 -7.142 5.015 1.00 3.23 C ATOM 7 SD MET A 1 -18.420 -7.816 6.538 1.00 21.55 S ATOM 8 CE MET A 1 -19.799 -8.777 7.160 1.00 73.21 C ATOM 0 H1 MET A 1 -21.965 -4.177 5.024 1.00 14.42 H new ATOM 0 H2 MET A 1 -22.514 -4.427 3.436 1.00 14.42 H new ATOM 0 H3 MET A 1 -22.884 -5.555 4.650 1.00 14.42 H new ATOM 0 HA MET A 1 -20.189 -4.931 3.595 1.00 33.12 H new ATOM 0 HB2 MET A 1 -20.114 -5.505 5.974 1.00 55.41 H new ATOM 0 HB3 MET A 1 -21.133 -6.905 5.710 1.00 55.41 H new ATOM 0 HG2 MET A 1 -19.380 -7.963 4.346 1.00 3.23 H new ATOM 0 HG3 MET A 1 -18.366 -6.543 4.508 1.00 3.23 H new ATOM 0 HE1 MET A 1 -19.448 -9.457 7.937 1.00 73.21 H new ATOM 0 HE2 MET A 1 -20.551 -8.107 7.577 1.00 73.21 H new ATOM 0 HE3 MET A 1 -20.238 -9.353 6.345 1.00 73.21 H new ATOM 20 N SER A 2 -20.842 -6.376 1.679 1.00 62.31 N ATOM 21 CA SER A 2 -20.976 -7.324 0.585 1.00 13.03 C ATOM 22 C SER A 2 -19.599 -7.698 0.026 1.00 64.11 C ATOM 23 O SER A 2 -19.075 -8.774 0.318 1.00 4.52 O ATOM 24 CB SER A 2 -21.868 -6.741 -0.513 1.00 43.50 C ATOM 25 OG SER A 2 -23.109 -6.303 0.019 1.00 52.53 O ATOM 0 H SER A 2 -20.473 -5.465 1.406 1.00 62.31 H new ATOM 0 HA SER A 2 -21.445 -8.232 0.964 1.00 13.03 H new ATOM 0 HB2 SER A 2 -21.359 -5.906 -0.994 1.00 43.50 H new ATOM 0 HB3 SER A 2 -22.043 -7.493 -1.282 1.00 43.50 H new ATOM 0 HG SER A 2 -23.661 -5.933 -0.701 1.00 52.53 H new ATOM 31 N GLN A 3 -18.998 -6.801 -0.749 1.00 43.43 N ATOM 32 CA GLN A 3 -17.688 -7.066 -1.328 1.00 12.41 C ATOM 33 C GLN A 3 -16.585 -6.560 -0.411 1.00 50.45 C ATOM 34 O GLN A 3 -16.049 -5.466 -0.604 1.00 25.44 O ATOM 35 CB GLN A 3 -17.550 -6.435 -2.716 1.00 72.34 C ATOM 36 CG GLN A 3 -18.440 -7.073 -3.775 1.00 54.33 C ATOM 37 CD GLN A 3 -18.151 -6.548 -5.166 1.00 1.05 C ATOM 38 OE1 GLN A 3 -18.748 -5.568 -5.611 1.00 70.24 O ATOM 39 NE2 GLN A 3 -17.236 -7.198 -5.864 1.00 22.22 N ATOM 0 H GLN A 3 -19.394 -5.892 -0.989 1.00 43.43 H new ATOM 0 HA GLN A 3 -17.590 -8.146 -1.437 1.00 12.41 H new ATOM 0 HB2 GLN A 3 -17.788 -5.373 -2.647 1.00 72.34 H new ATOM 0 HB3 GLN A 3 -16.511 -6.509 -3.036 1.00 72.34 H new ATOM 0 HG2 GLN A 3 -18.299 -8.154 -3.761 1.00 54.33 H new ATOM 0 HG3 GLN A 3 -19.485 -6.885 -3.529 1.00 54.33 H new ATOM 0 HE21 GLN A 3 -16.764 -8.006 -5.458 1.00 22.22 H new ATOM 0 HE22 GLN A 3 -17.002 -6.892 -6.808 1.00 22.22 H new ATOM 48 N TRP A 4 -16.280 -7.355 0.604 1.00 21.25 N ATOM 49 CA TRP A 4 -15.252 -7.019 1.579 1.00 51.02 C ATOM 50 C TRP A 4 -14.349 -8.221 1.820 1.00 44.54 C ATOM 51 O TRP A 4 -14.711 -9.144 2.550 1.00 1.13 O ATOM 52 CB TRP A 4 -15.883 -6.577 2.900 1.00 4.15 C ATOM 53 CG TRP A 4 -16.641 -5.291 2.803 1.00 42.24 C ATOM 54 CD1 TRP A 4 -17.931 -5.131 2.404 1.00 60.32 C ATOM 55 CD2 TRP A 4 -16.149 -3.986 3.105 1.00 71.30 C ATOM 56 NE1 TRP A 4 -18.278 -3.804 2.451 1.00 53.51 N ATOM 57 CE2 TRP A 4 -17.199 -3.079 2.876 1.00 44.12 C ATOM 58 CE3 TRP A 4 -14.924 -3.500 3.547 1.00 21.02 C ATOM 59 CZ2 TRP A 4 -17.057 -1.710 3.079 1.00 20.40 C ATOM 60 CZ3 TRP A 4 -14.779 -2.142 3.748 1.00 1.35 C ATOM 61 CH2 TRP A 4 -15.842 -1.260 3.514 1.00 61.15 C ATOM 0 H TRP A 4 -16.737 -8.250 0.775 1.00 21.25 H new ATOM 0 HA TRP A 4 -14.660 -6.195 1.182 1.00 51.02 H new ATOM 0 HB2 TRP A 4 -16.556 -7.360 3.251 1.00 4.15 H new ATOM 0 HB3 TRP A 4 -15.099 -6.471 3.650 1.00 4.15 H new ATOM 0 HD1 TRP A 4 -18.587 -5.931 2.095 1.00 60.32 H new ATOM 0 HE1 TRP A 4 -19.192 -3.421 2.208 1.00 53.51 H new ATOM 0 HE3 TRP A 4 -14.100 -4.173 3.730 1.00 21.02 H new ATOM 0 HZ2 TRP A 4 -17.876 -1.029 2.900 1.00 20.40 H new ATOM 0 HZ3 TRP A 4 -13.831 -1.753 4.091 1.00 1.35 H new ATOM 0 HH2 TRP A 4 -15.698 -0.203 3.681 1.00 61.15 H new ATOM 72 N THR A 5 -13.188 -8.221 1.192 1.00 10.43 N ATOM 73 CA THR A 5 -12.255 -9.318 1.329 1.00 52.10 C ATOM 74 C THR A 5 -11.322 -9.104 2.517 1.00 54.55 C ATOM 75 O THR A 5 -10.810 -8.001 2.726 1.00 50.21 O ATOM 76 CB THR A 5 -11.430 -9.487 0.044 1.00 35.21 C ATOM 77 OG1 THR A 5 -11.004 -8.204 -0.429 1.00 64.24 O ATOM 78 CG2 THR A 5 -12.240 -10.185 -1.035 1.00 50.21 C ATOM 0 H THR A 5 -12.870 -7.469 0.580 1.00 10.43 H new ATOM 0 HA THR A 5 -12.834 -10.225 1.504 1.00 52.10 H new ATOM 0 HB THR A 5 -10.560 -10.102 0.274 1.00 35.21 H new ATOM 0 HG1 THR A 5 -10.477 -8.316 -1.248 1.00 64.24 H new ATOM 0 HG21 THR A 5 -11.633 -10.292 -1.934 1.00 50.21 H new ATOM 0 HG22 THR A 5 -12.543 -11.171 -0.682 1.00 50.21 H new ATOM 0 HG23 THR A 5 -13.126 -9.594 -1.264 1.00 50.21 H new ATOM 86 N THR A 6 -11.122 -10.157 3.296 1.00 32.12 N ATOM 87 CA THR A 6 -10.226 -10.110 4.439 1.00 34.13 C ATOM 88 C THR A 6 -8.773 -10.071 3.968 1.00 75.11 C ATOM 89 O THR A 6 -8.270 -11.041 3.400 1.00 21.31 O ATOM 90 CB THR A 6 -10.442 -11.332 5.355 1.00 13.44 C ATOM 91 OG1 THR A 6 -11.806 -11.375 5.801 1.00 12.51 O ATOM 92 CG2 THR A 6 -9.510 -11.294 6.557 1.00 20.44 C ATOM 0 H THR A 6 -11.573 -11.061 3.154 1.00 32.12 H new ATOM 0 HA THR A 6 -10.446 -9.205 5.006 1.00 34.13 H new ATOM 0 HB THR A 6 -10.217 -12.229 4.778 1.00 13.44 H new ATOM 0 HG1 THR A 6 -11.936 -12.154 6.381 1.00 12.51 H new ATOM 0 HG21 THR A 6 -9.687 -12.169 7.183 1.00 20.44 H new ATOM 0 HG22 THR A 6 -8.475 -11.296 6.215 1.00 20.44 H new ATOM 0 HG23 THR A 6 -9.699 -10.390 7.136 1.00 20.44 H new ATOM 100 N VAL A 7 -8.116 -8.942 4.191 1.00 53.15 N ATOM 101 CA VAL A 7 -6.739 -8.760 3.755 1.00 2.13 C ATOM 102 C VAL A 7 -5.767 -9.387 4.751 1.00 33.22 C ATOM 103 O VAL A 7 -5.189 -10.443 4.488 1.00 43.13 O ATOM 104 CB VAL A 7 -6.400 -7.264 3.582 1.00 62.25 C ATOM 105 CG1 VAL A 7 -4.980 -7.087 3.070 1.00 74.25 C ATOM 106 CG2 VAL A 7 -7.396 -6.592 2.651 1.00 42.04 C ATOM 0 H VAL A 7 -8.515 -8.136 4.672 1.00 53.15 H new ATOM 0 HA VAL A 7 -6.636 -9.258 2.791 1.00 2.13 H new ATOM 0 HB VAL A 7 -6.469 -6.785 4.559 1.00 62.25 H new ATOM 0 HG11 VAL A 7 -4.764 -6.025 2.956 1.00 74.25 H new ATOM 0 HG12 VAL A 7 -4.280 -7.525 3.781 1.00 74.25 H new ATOM 0 HG13 VAL A 7 -4.876 -7.584 2.105 1.00 74.25 H new ATOM 0 HG21 VAL A 7 -7.139 -5.538 2.543 1.00 42.04 H new ATOM 0 HG22 VAL A 7 -7.365 -7.075 1.675 1.00 42.04 H new ATOM 0 HG23 VAL A 7 -8.400 -6.680 3.067 1.00 42.04 H new ATOM 116 N CYS A 8 -5.608 -8.740 5.896 1.00 1.55 N ATOM 117 CA CYS A 8 -4.698 -9.212 6.931 1.00 10.41 C ATOM 118 C CYS A 8 -5.212 -8.786 8.299 1.00 31.31 C ATOM 119 O CYS A 8 -6.211 -8.074 8.394 1.00 63.31 O ATOM 120 CB CYS A 8 -3.286 -8.654 6.708 1.00 45.33 C ATOM 121 SG CYS A 8 -2.523 -9.154 5.147 1.00 23.12 S ATOM 0 H CYS A 8 -6.102 -7.880 6.134 1.00 1.55 H new ATOM 0 HA CYS A 8 -4.651 -10.300 6.883 1.00 10.41 H new ATOM 0 HB2 CYS A 8 -3.329 -7.565 6.745 1.00 45.33 H new ATOM 0 HB3 CYS A 8 -2.647 -8.976 7.530 1.00 45.33 H new ATOM 0 HG CYS A 8 -3.339 -9.926 4.493 1.00 23.12 H new ATOM 127 N LYS A 9 -4.532 -9.215 9.351 1.00 51.43 N ATOM 128 CA LYS A 9 -4.921 -8.855 10.707 1.00 10.33 C ATOM 129 C LYS A 9 -4.441 -7.448 11.029 1.00 72.42 C ATOM 130 O LYS A 9 -3.339 -7.068 10.642 1.00 4.11 O ATOM 131 CB LYS A 9 -4.327 -9.823 11.741 1.00 5.02 C ATOM 132 CG LYS A 9 -4.729 -11.279 11.573 1.00 32.54 C ATOM 133 CD LYS A 9 -3.941 -11.971 10.474 1.00 24.53 C ATOM 134 CE LYS A 9 -4.325 -13.436 10.359 1.00 51.40 C ATOM 135 NZ LYS A 9 -5.755 -13.605 9.991 1.00 72.30 N ATOM 0 H LYS A 9 -3.708 -9.813 9.293 1.00 51.43 H new ATOM 0 HA LYS A 9 -6.008 -8.908 10.759 1.00 10.33 H new ATOM 0 HB2 LYS A 9 -3.240 -9.756 11.695 1.00 5.02 H new ATOM 0 HB3 LYS A 9 -4.625 -9.493 12.736 1.00 5.02 H new ATOM 0 HG2 LYS A 9 -4.576 -11.807 12.514 1.00 32.54 H new ATOM 0 HG3 LYS A 9 -5.793 -11.336 11.345 1.00 32.54 H new ATOM 0 HD2 LYS A 9 -4.122 -11.470 9.523 1.00 24.53 H new ATOM 0 HD3 LYS A 9 -2.874 -11.888 10.681 1.00 24.53 H new ATOM 0 HE2 LYS A 9 -3.697 -13.918 9.610 1.00 51.40 H new ATOM 0 HE3 LYS A 9 -4.132 -13.938 11.307 1.00 51.40 H new ATOM 0 HZ1 LYS A 9 -6.248 -14.126 10.744 1.00 72.30 H new ATOM 0 HZ2 LYS A 9 -6.195 -12.671 9.871 1.00 72.30 H new ATOM 0 HZ3 LYS A 9 -5.824 -14.137 9.100 1.00 72.30 H new ATOM 149 N LEU A 10 -5.252 -6.690 11.761 1.00 51.13 N ATOM 150 CA LEU A 10 -4.851 -5.359 12.219 1.00 44.35 C ATOM 151 C LEU A 10 -3.644 -5.478 13.144 1.00 22.21 C ATOM 152 O LEU A 10 -2.850 -4.556 13.287 1.00 2.44 O ATOM 153 CB LEU A 10 -6.031 -4.674 12.934 1.00 31.21 C ATOM 154 CG LEU A 10 -5.741 -3.303 13.562 1.00 42.42 C ATOM 155 CD1 LEU A 10 -6.983 -2.430 13.510 1.00 23.23 C ATOM 156 CD2 LEU A 10 -5.280 -3.456 15.010 1.00 53.12 C ATOM 0 H LEU A 10 -6.189 -6.971 12.050 1.00 51.13 H new ATOM 0 HA LEU A 10 -4.570 -4.746 11.363 1.00 44.35 H new ATOM 0 HB2 LEU A 10 -6.844 -4.557 12.218 1.00 31.21 H new ATOM 0 HB3 LEU A 10 -6.390 -5.341 13.718 1.00 31.21 H new ATOM 0 HG LEU A 10 -4.943 -2.829 12.990 1.00 42.42 H new ATOM 0 HD11 LEU A 10 -6.765 -1.461 13.958 1.00 23.23 H new ATOM 0 HD12 LEU A 10 -7.286 -2.290 12.472 1.00 23.23 H new ATOM 0 HD13 LEU A 10 -7.790 -2.912 14.062 1.00 23.23 H new ATOM 0 HD21 LEU A 10 -5.080 -2.472 15.434 1.00 53.12 H new ATOM 0 HD22 LEU A 10 -6.060 -3.950 15.590 1.00 53.12 H new ATOM 0 HD23 LEU A 10 -4.370 -4.056 15.041 1.00 53.12 H new ATOM 168 N ASP A 11 -3.507 -6.652 13.727 1.00 44.21 N ATOM 169 CA ASP A 11 -2.450 -6.938 14.686 1.00 54.43 C ATOM 170 C ASP A 11 -1.191 -7.398 13.962 1.00 72.55 C ATOM 171 O ASP A 11 -0.079 -7.293 14.481 1.00 1.43 O ATOM 172 CB ASP A 11 -2.936 -8.019 15.655 1.00 4.44 C ATOM 173 CG ASP A 11 -1.856 -8.514 16.589 1.00 45.34 C ATOM 174 OD1 ASP A 11 -1.499 -7.779 17.532 1.00 53.12 O ATOM 175 OD2 ASP A 11 -1.381 -9.652 16.401 1.00 31.32 O ATOM 0 H ASP A 11 -4.128 -7.442 13.550 1.00 44.21 H new ATOM 0 HA ASP A 11 -2.208 -6.034 15.244 1.00 54.43 H new ATOM 0 HB2 ASP A 11 -3.763 -7.623 16.244 1.00 4.44 H new ATOM 0 HB3 ASP A 11 -3.326 -8.861 15.083 1.00 4.44 H new ATOM 180 N ASP A 12 -1.377 -7.872 12.737 1.00 71.32 N ATOM 181 CA ASP A 12 -0.287 -8.435 11.950 1.00 61.43 C ATOM 182 C ASP A 12 0.400 -7.350 11.125 1.00 22.42 C ATOM 183 O ASP A 12 1.577 -7.465 10.779 1.00 3.11 O ATOM 184 CB ASP A 12 -0.831 -9.544 11.038 1.00 35.42 C ATOM 185 CG ASP A 12 0.252 -10.253 10.245 1.00 71.51 C ATOM 186 OD1 ASP A 12 1.120 -10.904 10.865 1.00 32.22 O ATOM 187 OD2 ASP A 12 0.231 -10.175 9.002 1.00 14.34 O ATOM 0 H ASP A 12 -2.280 -7.878 12.263 1.00 71.32 H new ATOM 0 HA ASP A 12 0.454 -8.861 12.626 1.00 61.43 H new ATOM 0 HB2 ASP A 12 -1.365 -10.275 11.645 1.00 35.42 H new ATOM 0 HB3 ASP A 12 -1.556 -9.114 10.347 1.00 35.42 H new ATOM 192 N ILE A 13 -0.337 -6.286 10.834 1.00 12.23 N ATOM 193 CA ILE A 13 0.184 -5.192 10.015 1.00 5.23 C ATOM 194 C ILE A 13 1.115 -4.289 10.827 1.00 10.44 C ATOM 195 O ILE A 13 0.688 -3.644 11.783 1.00 75.12 O ATOM 196 CB ILE A 13 -0.961 -4.343 9.422 1.00 51.45 C ATOM 197 CG1 ILE A 13 -1.903 -5.228 8.603 1.00 53.01 C ATOM 198 CG2 ILE A 13 -0.404 -3.220 8.556 1.00 22.25 C ATOM 199 CD1 ILE A 13 -3.142 -4.511 8.113 1.00 43.50 C ATOM 0 H ILE A 13 -1.297 -6.154 11.151 1.00 12.23 H new ATOM 0 HA ILE A 13 0.749 -5.644 9.200 1.00 5.23 H new ATOM 0 HB ILE A 13 -1.522 -3.897 10.243 1.00 51.45 H new ATOM 0 HG12 ILE A 13 -1.360 -5.624 7.745 1.00 53.01 H new ATOM 0 HG13 ILE A 13 -2.205 -6.081 9.210 1.00 53.01 H new ATOM 0 HG21 ILE A 13 -1.227 -2.633 8.147 1.00 22.25 H new ATOM 0 HG22 ILE A 13 0.235 -2.577 9.161 1.00 22.25 H new ATOM 0 HG23 ILE A 13 0.179 -3.645 7.739 1.00 22.25 H new ATOM 0 HD11 ILE A 13 -3.760 -5.203 7.541 1.00 43.50 H new ATOM 0 HD12 ILE A 13 -3.709 -4.139 8.967 1.00 43.50 H new ATOM 0 HD13 ILE A 13 -2.851 -3.674 7.478 1.00 43.50 H new ATOM 211 N LEU A 14 2.384 -4.247 10.435 1.00 34.24 N ATOM 212 CA LEU A 14 3.390 -3.458 11.140 1.00 23.01 C ATOM 213 C LEU A 14 3.148 -1.958 10.966 1.00 60.11 C ATOM 214 O LEU A 14 2.927 -1.480 9.851 1.00 52.33 O ATOM 215 CB LEU A 14 4.786 -3.819 10.632 1.00 13.24 C ATOM 216 CG LEU A 14 5.208 -5.275 10.848 1.00 3.43 C ATOM 217 CD1 LEU A 14 6.593 -5.519 10.267 1.00 13.35 C ATOM 218 CD2 LEU A 14 5.185 -5.622 12.329 1.00 35.14 C ATOM 0 H LEU A 14 2.743 -4.754 9.626 1.00 34.24 H new ATOM 0 HA LEU A 14 3.315 -3.692 12.202 1.00 23.01 H new ATOM 0 HB2 LEU A 14 4.834 -3.599 9.565 1.00 13.24 H new ATOM 0 HB3 LEU A 14 5.512 -3.171 11.124 1.00 13.24 H new ATOM 0 HG LEU A 14 4.497 -5.920 10.331 1.00 3.43 H new ATOM 0 HD11 LEU A 14 6.878 -6.559 10.429 1.00 13.35 H new ATOM 0 HD12 LEU A 14 6.581 -5.309 9.198 1.00 13.35 H new ATOM 0 HD13 LEU A 14 7.314 -4.865 10.758 1.00 13.35 H new ATOM 0 HD21 LEU A 14 5.488 -6.660 12.464 1.00 35.14 H new ATOM 0 HD22 LEU A 14 5.874 -4.970 12.866 1.00 35.14 H new ATOM 0 HD23 LEU A 14 4.177 -5.484 12.719 1.00 35.14 H new ATOM 230 N PRO A 15 3.200 -1.199 12.074 1.00 30.01 N ATOM 231 CA PRO A 15 2.960 0.248 12.065 1.00 32.34 C ATOM 232 C PRO A 15 4.054 1.033 11.348 1.00 61.21 C ATOM 233 O PRO A 15 5.231 0.675 11.397 1.00 2.14 O ATOM 234 CB PRO A 15 2.923 0.618 13.551 1.00 63.21 C ATOM 235 CG PRO A 15 3.715 -0.447 14.228 1.00 14.12 C ATOM 236 CD PRO A 15 3.490 -1.700 13.430 1.00 60.33 C ATOM 0 HA PRO A 15 2.046 0.494 11.525 1.00 32.34 H new ATOM 0 HB2 PRO A 15 3.356 1.603 13.724 1.00 63.21 H new ATOM 0 HB3 PRO A 15 1.900 0.649 13.926 1.00 63.21 H new ATOM 0 HG2 PRO A 15 4.773 -0.188 14.257 1.00 14.12 H new ATOM 0 HG3 PRO A 15 3.391 -0.578 15.260 1.00 14.12 H new ATOM 0 HD2 PRO A 15 4.369 -2.345 13.440 1.00 60.33 H new ATOM 0 HD3 PRO A 15 2.661 -2.285 13.827 1.00 60.33 H new ATOM 244 N GLY A 16 3.648 2.106 10.679 1.00 1.03 N ATOM 245 CA GLY A 16 4.583 2.963 9.986 1.00 45.44 C ATOM 246 C GLY A 16 4.933 2.455 8.604 1.00 74.34 C ATOM 247 O GLY A 16 5.925 2.888 8.021 1.00 3.12 O ATOM 0 H GLY A 16 2.673 2.398 10.606 1.00 1.03 H new ATOM 0 HA2 GLY A 16 4.159 3.964 9.903 1.00 45.44 H new ATOM 0 HA3 GLY A 16 5.495 3.051 10.577 1.00 45.44 H new ATOM 251 N THR A 17 4.112 1.558 8.062 1.00 63.40 N ATOM 252 CA THR A 17 4.429 0.938 6.778 1.00 5.23 C ATOM 253 C THR A 17 3.178 0.462 6.052 1.00 22.24 C ATOM 254 O THR A 17 2.098 0.401 6.637 1.00 33.55 O ATOM 255 CB THR A 17 5.398 -0.254 6.950 1.00 53.04 C ATOM 256 OG1 THR A 17 5.219 -0.869 8.239 1.00 53.21 O ATOM 257 CG2 THR A 17 6.845 0.186 6.785 1.00 11.03 C ATOM 0 H THR A 17 3.236 1.248 8.484 1.00 63.40 H new ATOM 0 HA THR A 17 4.911 1.709 6.177 1.00 5.23 H new ATOM 0 HB THR A 17 5.168 -0.982 6.172 1.00 53.04 H new ATOM 0 HG1 THR A 17 4.262 -0.929 8.443 1.00 53.21 H new ATOM 0 HG21 THR A 17 7.503 -0.674 6.911 1.00 11.03 H new ATOM 0 HG22 THR A 17 6.986 0.608 5.790 1.00 11.03 H new ATOM 0 HG23 THR A 17 7.084 0.939 7.536 1.00 11.03 H new ATOM 265 N GLY A 18 3.337 0.139 4.773 1.00 31.02 N ATOM 266 CA GLY A 18 2.243 -0.382 3.983 1.00 11.55 C ATOM 267 C GLY A 18 2.726 -1.389 2.957 1.00 40.14 C ATOM 268 O GLY A 18 3.805 -1.221 2.384 1.00 23.42 O ATOM 0 H GLY A 18 4.217 0.231 4.266 1.00 31.02 H new ATOM 0 HA2 GLY A 18 1.511 -0.853 4.639 1.00 11.55 H new ATOM 0 HA3 GLY A 18 1.735 0.439 3.477 1.00 11.55 H new ATOM 272 N VAL A 19 1.944 -2.435 2.723 1.00 23.04 N ATOM 273 CA VAL A 19 2.345 -3.483 1.791 1.00 10.31 C ATOM 274 C VAL A 19 1.275 -3.751 0.737 1.00 1.43 C ATOM 275 O VAL A 19 0.080 -3.651 1.019 1.00 52.24 O ATOM 276 CB VAL A 19 2.687 -4.803 2.520 1.00 31.20 C ATOM 277 CG1 VAL A 19 3.930 -4.633 3.383 1.00 41.15 C ATOM 278 CG2 VAL A 19 1.511 -5.279 3.365 1.00 24.51 C ATOM 0 H VAL A 19 1.035 -2.581 3.162 1.00 23.04 H new ATOM 0 HA VAL A 19 3.241 -3.114 1.293 1.00 10.31 H new ATOM 0 HB VAL A 19 2.892 -5.562 1.765 1.00 31.20 H new ATOM 0 HG11 VAL A 19 4.154 -5.573 3.888 1.00 41.15 H new ATOM 0 HG12 VAL A 19 4.774 -4.349 2.754 1.00 41.15 H new ATOM 0 HG13 VAL A 19 3.753 -3.855 4.126 1.00 41.15 H new ATOM 0 HG21 VAL A 19 1.777 -6.209 3.867 1.00 24.51 H new ATOM 0 HG22 VAL A 19 1.268 -4.521 4.110 1.00 24.51 H new ATOM 0 HG23 VAL A 19 0.646 -5.448 2.723 1.00 24.51 H new ATOM 288 N CYS A 20 1.716 -4.062 -0.483 1.00 42.11 N ATOM 289 CA CYS A 20 0.812 -4.433 -1.555 1.00 11.34 C ATOM 290 C CYS A 20 0.268 -5.840 -1.343 1.00 71.40 C ATOM 291 O CYS A 20 0.979 -6.829 -1.528 1.00 64.23 O ATOM 292 CB CYS A 20 1.538 -4.350 -2.897 1.00 34.00 C ATOM 293 SG CYS A 20 3.131 -5.204 -2.924 1.00 3.02 S ATOM 0 H CYS A 20 2.701 -4.062 -0.747 1.00 42.11 H new ATOM 0 HA CYS A 20 -0.028 -3.738 -1.555 1.00 11.34 H new ATOM 0 HB2 CYS A 20 0.898 -4.772 -3.672 1.00 34.00 H new ATOM 0 HB3 CYS A 20 1.695 -3.301 -3.149 1.00 34.00 H new ATOM 0 HG CYS A 20 3.017 -6.353 -2.327 1.00 3.02 H new ATOM 299 N ALA A 21 -0.983 -5.921 -0.934 1.00 5.22 N ATOM 300 CA ALA A 21 -1.638 -7.199 -0.736 1.00 71.35 C ATOM 301 C ALA A 21 -2.430 -7.586 -1.975 1.00 21.25 C ATOM 302 O ALA A 21 -3.182 -6.774 -2.522 1.00 2.22 O ATOM 303 CB ALA A 21 -2.543 -7.149 0.484 1.00 41.42 C ATOM 0 H ALA A 21 -1.569 -5.111 -0.731 1.00 5.22 H new ATOM 0 HA ALA A 21 -0.874 -7.958 -0.565 1.00 71.35 H new ATOM 0 HB1 ALA A 21 -3.027 -8.116 0.618 1.00 41.42 H new ATOM 0 HB2 ALA A 21 -1.950 -6.914 1.368 1.00 41.42 H new ATOM 0 HB3 ALA A 21 -3.302 -6.380 0.342 1.00 41.42 H new ATOM 309 N LEU A 22 -2.241 -8.816 -2.425 1.00 62.24 N ATOM 310 CA LEU A 22 -2.953 -9.323 -3.587 1.00 10.43 C ATOM 311 C LEU A 22 -4.275 -9.935 -3.141 1.00 34.13 C ATOM 312 O LEU A 22 -4.309 -11.049 -2.613 1.00 3.41 O ATOM 313 CB LEU A 22 -2.084 -10.358 -4.329 1.00 63.24 C ATOM 314 CG LEU A 22 -2.544 -10.767 -5.743 1.00 53.24 C ATOM 315 CD1 LEU A 22 -3.748 -11.700 -5.696 1.00 24.53 C ATOM 316 CD2 LEU A 22 -2.860 -9.538 -6.583 1.00 11.12 C ATOM 0 H LEU A 22 -1.598 -9.484 -2.001 1.00 62.24 H new ATOM 0 HA LEU A 22 -3.163 -8.505 -4.276 1.00 10.43 H new ATOM 0 HB2 LEU A 22 -1.072 -9.961 -4.403 1.00 63.24 H new ATOM 0 HB3 LEU A 22 -2.030 -11.258 -3.716 1.00 63.24 H new ATOM 0 HG LEU A 22 -1.721 -11.309 -6.209 1.00 53.24 H new ATOM 0 HD11 LEU A 22 -4.042 -11.966 -6.711 1.00 24.53 H new ATOM 0 HD12 LEU A 22 -3.487 -12.604 -5.146 1.00 24.53 H new ATOM 0 HD13 LEU A 22 -4.578 -11.199 -5.197 1.00 24.53 H new ATOM 0 HD21 LEU A 22 -3.182 -9.849 -7.577 1.00 11.12 H new ATOM 0 HD22 LEU A 22 -3.656 -8.966 -6.106 1.00 11.12 H new ATOM 0 HD23 LEU A 22 -1.968 -8.917 -6.669 1.00 11.12 H new ATOM 328 N VAL A 23 -5.354 -9.191 -3.322 1.00 13.22 N ATOM 329 CA VAL A 23 -6.679 -9.675 -2.968 1.00 23.45 C ATOM 330 C VAL A 23 -7.517 -9.906 -4.219 1.00 74.11 C ATOM 331 O VAL A 23 -7.870 -8.958 -4.928 1.00 61.34 O ATOM 332 CB VAL A 23 -7.416 -8.713 -2.005 1.00 31.00 C ATOM 333 CG1 VAL A 23 -6.814 -8.798 -0.611 1.00 53.25 C ATOM 334 CG2 VAL A 23 -7.366 -7.276 -2.510 1.00 12.43 C ATOM 0 H VAL A 23 -5.339 -8.249 -3.712 1.00 13.22 H new ATOM 0 HA VAL A 23 -6.543 -10.622 -2.446 1.00 23.45 H new ATOM 0 HB VAL A 23 -8.461 -9.020 -1.962 1.00 31.00 H new ATOM 0 HG11 VAL A 23 -7.342 -8.116 0.056 1.00 53.25 H new ATOM 0 HG12 VAL A 23 -6.907 -9.817 -0.236 1.00 53.25 H new ATOM 0 HG13 VAL A 23 -5.760 -8.522 -0.652 1.00 53.25 H new ATOM 0 HG21 VAL A 23 -7.893 -6.626 -1.811 1.00 12.43 H new ATOM 0 HG22 VAL A 23 -6.328 -6.955 -2.592 1.00 12.43 H new ATOM 0 HG23 VAL A 23 -7.842 -7.218 -3.489 1.00 12.43 H new ATOM 344 N GLU A 24 -7.799 -11.181 -4.490 1.00 63.02 N ATOM 345 CA GLU A 24 -8.569 -11.601 -5.662 1.00 14.42 C ATOM 346 C GLU A 24 -7.821 -11.310 -6.964 1.00 23.53 C ATOM 347 O GLU A 24 -7.329 -12.229 -7.620 1.00 32.15 O ATOM 348 CB GLU A 24 -9.954 -10.948 -5.678 1.00 41.12 C ATOM 349 CG GLU A 24 -10.907 -11.523 -4.640 1.00 72.42 C ATOM 350 CD GLU A 24 -11.147 -13.004 -4.846 1.00 42.43 C ATOM 351 OE1 GLU A 24 -11.587 -13.387 -5.950 1.00 10.40 O ATOM 352 OE2 GLU A 24 -10.895 -13.795 -3.914 1.00 42.42 O ATOM 0 H GLU A 24 -7.498 -11.956 -3.899 1.00 63.02 H new ATOM 0 HA GLU A 24 -8.701 -12.680 -5.589 1.00 14.42 H new ATOM 0 HB2 GLU A 24 -9.844 -9.877 -5.506 1.00 41.12 H new ATOM 0 HB3 GLU A 24 -10.392 -11.068 -6.669 1.00 41.12 H new ATOM 0 HG2 GLU A 24 -10.499 -11.357 -3.643 1.00 72.42 H new ATOM 0 HG3 GLU A 24 -11.858 -10.992 -4.688 1.00 72.42 H new ATOM 359 N GLN A 25 -7.745 -10.039 -7.331 1.00 55.01 N ATOM 360 CA GLN A 25 -7.070 -9.624 -8.554 1.00 32.44 C ATOM 361 C GLN A 25 -6.593 -8.177 -8.451 1.00 74.05 C ATOM 362 O GLN A 25 -6.173 -7.579 -9.439 1.00 43.21 O ATOM 363 CB GLN A 25 -8.003 -9.795 -9.758 1.00 73.20 C ATOM 364 CG GLN A 25 -9.385 -9.187 -9.565 1.00 64.33 C ATOM 365 CD GLN A 25 -10.335 -9.514 -10.704 1.00 54.25 C ATOM 366 OE1 GLN A 25 -11.247 -8.742 -11.008 1.00 53.45 O ATOM 367 NE2 GLN A 25 -10.132 -10.658 -11.345 1.00 13.21 N ATOM 0 H GLN A 25 -8.146 -9.270 -6.794 1.00 55.01 H new ATOM 0 HA GLN A 25 -6.195 -10.259 -8.694 1.00 32.44 H new ATOM 0 HB2 GLN A 25 -7.537 -9.341 -10.632 1.00 73.20 H new ATOM 0 HB3 GLN A 25 -8.112 -10.858 -9.971 1.00 73.20 H new ATOM 0 HG2 GLN A 25 -9.809 -9.549 -8.629 1.00 64.33 H new ATOM 0 HG3 GLN A 25 -9.292 -8.105 -9.475 1.00 64.33 H new ATOM 0 HE21 GLN A 25 -9.367 -11.271 -11.064 1.00 13.21 H new ATOM 0 HE22 GLN A 25 -10.741 -10.924 -12.118 1.00 13.21 H new ATOM 376 N GLN A 26 -6.645 -7.627 -7.246 1.00 33.12 N ATOM 377 CA GLN A 26 -6.237 -6.250 -7.015 1.00 23.44 C ATOM 378 C GLN A 26 -5.072 -6.182 -6.031 1.00 53.32 C ATOM 379 O GLN A 26 -5.050 -6.901 -5.033 1.00 53.52 O ATOM 380 CB GLN A 26 -7.418 -5.441 -6.473 1.00 42.01 C ATOM 381 CG GLN A 26 -8.470 -5.103 -7.519 1.00 64.44 C ATOM 382 CD GLN A 26 -8.002 -4.047 -8.509 1.00 10.32 C ATOM 383 OE1 GLN A 26 -8.403 -4.047 -9.672 1.00 2.43 O ATOM 384 NE2 GLN A 26 -7.170 -3.124 -8.046 1.00 62.01 N ATOM 0 H GLN A 26 -6.967 -8.116 -6.411 1.00 33.12 H new ATOM 0 HA GLN A 26 -5.910 -5.827 -7.965 1.00 23.44 H new ATOM 0 HB2 GLN A 26 -7.890 -6.002 -5.667 1.00 42.01 H new ATOM 0 HB3 GLN A 26 -7.042 -4.515 -6.039 1.00 42.01 H new ATOM 0 HG2 GLN A 26 -8.739 -6.009 -8.062 1.00 64.44 H new ATOM 0 HG3 GLN A 26 -9.372 -4.751 -7.019 1.00 64.44 H new ATOM 0 HE21 GLN A 26 -6.860 -3.158 -7.075 1.00 62.01 H new ATOM 0 HE22 GLN A 26 -6.840 -2.380 -8.661 1.00 62.01 H new ATOM 393 N GLN A 27 -4.099 -5.328 -6.330 1.00 55.32 N ATOM 394 CA GLN A 27 -2.993 -5.067 -5.414 1.00 62.42 C ATOM 395 C GLN A 27 -3.245 -3.773 -4.654 1.00 31.42 C ATOM 396 O GLN A 27 -3.256 -2.689 -5.238 1.00 53.24 O ATOM 397 CB GLN A 27 -1.660 -4.982 -6.161 1.00 24.31 C ATOM 398 CG GLN A 27 -1.138 -6.324 -6.644 1.00 40.12 C ATOM 399 CD GLN A 27 0.214 -6.206 -7.318 1.00 22.13 C ATOM 400 OE1 GLN A 27 0.300 -6.017 -8.529 1.00 2.12 O ATOM 401 NE2 GLN A 27 1.281 -6.318 -6.538 1.00 21.10 N ATOM 0 H GLN A 27 -4.053 -4.803 -7.203 1.00 55.32 H new ATOM 0 HA GLN A 27 -2.933 -5.897 -4.710 1.00 62.42 H new ATOM 0 HB2 GLN A 27 -1.777 -4.319 -7.018 1.00 24.31 H new ATOM 0 HB3 GLN A 27 -0.916 -4.528 -5.506 1.00 24.31 H new ATOM 0 HG2 GLN A 27 -1.062 -7.007 -5.798 1.00 40.12 H new ATOM 0 HG3 GLN A 27 -1.853 -6.760 -7.342 1.00 40.12 H new ATOM 0 HE21 GLN A 27 1.167 -6.475 -5.537 1.00 21.10 H new ATOM 0 HE22 GLN A 27 2.216 -6.247 -6.940 1.00 21.10 H new ATOM 410 N ILE A 28 -3.460 -3.894 -3.356 1.00 53.25 N ATOM 411 CA ILE A 28 -3.768 -2.744 -2.518 1.00 62.43 C ATOM 412 C ILE A 28 -2.695 -2.558 -1.455 1.00 52.31 C ATOM 413 O ILE A 28 -2.260 -3.523 -0.830 1.00 62.40 O ATOM 414 CB ILE A 28 -5.146 -2.920 -1.840 1.00 51.43 C ATOM 415 CG1 ILE A 28 -6.229 -3.153 -2.899 1.00 64.04 C ATOM 416 CG2 ILE A 28 -5.487 -1.709 -0.981 1.00 75.53 C ATOM 417 CD1 ILE A 28 -7.607 -3.389 -2.322 1.00 64.31 C ATOM 0 H ILE A 28 -3.427 -4.782 -2.855 1.00 53.25 H new ATOM 0 HA ILE A 28 -3.797 -1.859 -3.154 1.00 62.43 H new ATOM 0 HB ILE A 28 -5.101 -3.792 -1.188 1.00 51.43 H new ATOM 0 HG12 ILE A 28 -6.266 -2.289 -3.563 1.00 64.04 H new ATOM 0 HG13 ILE A 28 -5.949 -4.012 -3.509 1.00 64.04 H new ATOM 0 HG21 ILE A 28 -6.461 -1.856 -0.515 1.00 75.53 H new ATOM 0 HG22 ILE A 28 -4.729 -1.587 -0.207 1.00 75.53 H new ATOM 0 HG23 ILE A 28 -5.515 -0.816 -1.606 1.00 75.53 H new ATOM 0 HD11 ILE A 28 -8.319 -3.546 -3.132 1.00 64.31 H new ATOM 0 HD12 ILE A 28 -7.587 -4.270 -1.681 1.00 64.31 H new ATOM 0 HD13 ILE A 28 -7.910 -2.521 -1.736 1.00 64.31 H new ATOM 429 N ALA A 29 -2.272 -1.320 -1.263 1.00 32.22 N ATOM 430 CA ALA A 29 -1.258 -1.006 -0.272 1.00 74.43 C ATOM 431 C ALA A 29 -1.914 -0.700 1.063 1.00 52.44 C ATOM 432 O ALA A 29 -2.651 0.280 1.192 1.00 42.13 O ATOM 433 CB ALA A 29 -0.415 0.170 -0.734 1.00 25.41 C ATOM 0 H ALA A 29 -2.617 -0.513 -1.783 1.00 32.22 H new ATOM 0 HA ALA A 29 -0.604 -1.869 -0.150 1.00 74.43 H new ATOM 0 HB1 ALA A 29 0.341 0.394 0.019 1.00 25.41 H new ATOM 0 HB2 ALA A 29 0.074 -0.080 -1.676 1.00 25.41 H new ATOM 0 HB3 ALA A 29 -1.054 1.042 -0.877 1.00 25.41 H new ATOM 439 N VAL A 30 -1.660 -1.544 2.050 1.00 50.12 N ATOM 440 CA VAL A 30 -2.295 -1.388 3.353 1.00 14.22 C ATOM 441 C VAL A 30 -1.360 -0.686 4.328 1.00 54.54 C ATOM 442 O VAL A 30 -0.432 -1.293 4.860 1.00 31.04 O ATOM 443 CB VAL A 30 -2.731 -2.746 3.950 1.00 41.21 C ATOM 444 CG1 VAL A 30 -3.554 -2.538 5.213 1.00 13.45 C ATOM 445 CG2 VAL A 30 -3.510 -3.559 2.926 1.00 35.02 C ATOM 0 H VAL A 30 -1.024 -2.338 1.978 1.00 50.12 H new ATOM 0 HA VAL A 30 -3.186 -0.780 3.199 1.00 14.22 H new ATOM 0 HB VAL A 30 -1.834 -3.305 4.216 1.00 41.21 H new ATOM 0 HG11 VAL A 30 -3.851 -3.506 5.617 1.00 13.45 H new ATOM 0 HG12 VAL A 30 -2.957 -2.003 5.952 1.00 13.45 H new ATOM 0 HG13 VAL A 30 -4.444 -1.956 4.975 1.00 13.45 H new ATOM 0 HG21 VAL A 30 -3.807 -4.511 3.367 1.00 35.02 H new ATOM 0 HG22 VAL A 30 -4.399 -3.006 2.623 1.00 35.02 H new ATOM 0 HG23 VAL A 30 -2.882 -3.743 2.054 1.00 35.02 H new ATOM 455 N PHE A 31 -1.604 0.600 4.535 1.00 50.11 N ATOM 456 CA PHE A 31 -0.803 1.413 5.439 1.00 71.41 C ATOM 457 C PHE A 31 -1.216 1.192 6.884 1.00 75.45 C ATOM 458 O PHE A 31 -2.401 1.041 7.191 1.00 53.34 O ATOM 459 CB PHE A 31 -0.970 2.905 5.134 1.00 2.50 C ATOM 460 CG PHE A 31 -0.362 3.372 3.844 1.00 25.34 C ATOM 461 CD1 PHE A 31 -1.011 3.166 2.640 1.00 75.44 C ATOM 462 CD2 PHE A 31 0.850 4.040 3.843 1.00 63.35 C ATOM 463 CE1 PHE A 31 -0.461 3.615 1.457 1.00 33.40 C ATOM 464 CE2 PHE A 31 1.404 4.495 2.665 1.00 44.14 C ATOM 465 CZ PHE A 31 0.749 4.282 1.470 1.00 70.42 C ATOM 0 H PHE A 31 -2.362 1.109 4.081 1.00 50.11 H new ATOM 0 HA PHE A 31 0.234 1.112 5.293 1.00 71.41 H new ATOM 0 HB2 PHE A 31 -2.035 3.138 5.119 1.00 2.50 H new ATOM 0 HB3 PHE A 31 -0.530 3.477 5.951 1.00 2.50 H new ATOM 0 HD1 PHE A 31 -1.959 2.648 2.626 1.00 75.44 H new ATOM 0 HD2 PHE A 31 1.368 4.207 4.776 1.00 63.35 H new ATOM 0 HE1 PHE A 31 -0.975 3.445 0.523 1.00 33.40 H new ATOM 0 HE2 PHE A 31 2.349 5.017 2.678 1.00 44.14 H new ATOM 0 HZ PHE A 31 1.181 4.636 0.546 1.00 70.42 H new ATOM 475 N ARG A 32 -0.234 1.179 7.763 1.00 54.42 N ATOM 476 CA ARG A 32 -0.479 1.283 9.186 1.00 13.12 C ATOM 477 C ARG A 32 0.080 2.616 9.672 1.00 55.52 C ATOM 478 O ARG A 32 1.187 2.673 10.190 1.00 72.43 O ATOM 479 CB ARG A 32 0.168 0.123 9.944 1.00 21.31 C ATOM 480 CG ARG A 32 -0.252 0.026 11.403 1.00 51.13 C ATOM 481 CD ARG A 32 -1.638 -0.578 11.551 1.00 52.04 C ATOM 482 NE ARG A 32 -2.101 -0.568 12.940 1.00 5.44 N ATOM 483 CZ ARG A 32 -1.756 -1.481 13.856 1.00 12.14 C ATOM 484 NH1 ARG A 32 -0.890 -2.440 13.561 1.00 21.41 N ATOM 485 NH2 ARG A 32 -2.278 -1.421 15.073 1.00 23.21 N ATOM 0 H ARG A 32 0.751 1.096 7.512 1.00 54.42 H new ATOM 0 HA ARG A 32 -1.551 1.234 9.375 1.00 13.12 H new ATOM 0 HB2 ARG A 32 -0.083 -0.811 9.441 1.00 21.31 H new ATOM 0 HB3 ARG A 32 1.252 0.230 9.895 1.00 21.31 H new ATOM 0 HG2 ARG A 32 0.470 -0.581 11.950 1.00 51.13 H new ATOM 0 HG3 ARG A 32 -0.238 1.019 11.852 1.00 51.13 H new ATOM 0 HD2 ARG A 32 -2.342 -0.023 10.931 1.00 52.04 H new ATOM 0 HD3 ARG A 32 -1.627 -1.603 11.181 1.00 52.04 H new ATOM 0 HE ARG A 32 -2.727 0.184 13.228 1.00 5.44 H new ATOM 0 HH11 ARG A 32 -0.480 -2.487 12.628 1.00 21.41 H new ATOM 0 HH12 ARG A 32 -0.634 -3.131 14.267 1.00 21.41 H new ATOM 0 HH21 ARG A 32 -2.940 -0.681 15.308 1.00 23.21 H new ATOM 0 HH22 ARG A 32 -2.018 -2.115 15.774 1.00 23.21 H new ATOM 499 N PRO A 33 -0.664 3.715 9.479 1.00 21.13 N ATOM 500 CA PRO A 33 -0.146 5.068 9.703 1.00 24.01 C ATOM 501 C PRO A 33 0.177 5.346 11.165 1.00 61.24 C ATOM 502 O PRO A 33 1.214 5.935 11.478 1.00 61.43 O ATOM 503 CB PRO A 33 -1.279 5.985 9.218 1.00 14.31 C ATOM 504 CG PRO A 33 -2.188 5.103 8.429 1.00 51.03 C ATOM 505 CD PRO A 33 -2.064 3.739 9.043 1.00 1.12 C ATOM 0 HA PRO A 33 0.796 5.222 9.176 1.00 24.01 H new ATOM 0 HB2 PRO A 33 -1.804 6.440 10.058 1.00 14.31 H new ATOM 0 HB3 PRO A 33 -0.891 6.799 8.606 1.00 14.31 H new ATOM 0 HG2 PRO A 33 -3.217 5.461 8.474 1.00 51.03 H new ATOM 0 HG3 PRO A 33 -1.902 5.086 7.377 1.00 51.03 H new ATOM 0 HD2 PRO A 33 -2.752 3.606 9.878 1.00 1.12 H new ATOM 0 HD3 PRO A 33 -2.279 2.949 8.324 1.00 1.12 H new ATOM 513 N ARG A 34 -0.704 4.930 12.056 1.00 74.54 N ATOM 514 CA ARG A 34 -0.481 5.119 13.479 1.00 13.30 C ATOM 515 C ARG A 34 -0.305 3.777 14.167 1.00 13.44 C ATOM 516 O ARG A 34 -0.757 2.746 13.662 1.00 70.33 O ATOM 517 CB ARG A 34 -1.662 5.845 14.127 1.00 3.42 C ATOM 518 CG ARG A 34 -1.955 7.225 13.565 1.00 34.20 C ATOM 519 CD ARG A 34 -3.134 7.847 14.294 1.00 3.10 C ATOM 520 NE ARG A 34 -3.593 9.096 13.684 1.00 63.34 N ATOM 521 CZ ARG A 34 -4.882 9.412 13.544 1.00 63.14 C ATOM 522 NH1 ARG A 34 -5.817 8.564 13.963 1.00 24.53 N ATOM 523 NH2 ARG A 34 -5.239 10.571 13.003 1.00 30.05 N ATOM 0 H ARG A 34 -1.578 4.460 11.821 1.00 74.54 H new ATOM 0 HA ARG A 34 0.421 5.720 13.594 1.00 13.30 H new ATOM 0 HB2 ARG A 34 -2.553 5.228 14.016 1.00 3.42 H new ATOM 0 HB3 ARG A 34 -1.469 5.938 15.196 1.00 3.42 H new ATOM 0 HG2 ARG A 34 -1.077 7.862 13.668 1.00 34.20 H new ATOM 0 HG3 ARG A 34 -2.173 7.153 12.499 1.00 34.20 H new ATOM 0 HD2 ARG A 34 -3.959 7.134 14.313 1.00 3.10 H new ATOM 0 HD3 ARG A 34 -2.853 8.037 15.330 1.00 3.10 H new ATOM 0 HE ARG A 34 -2.893 9.758 13.349 1.00 63.34 H new ATOM 0 HH11 ARG A 34 -5.547 7.677 14.389 1.00 24.53 H new ATOM 0 HH12 ARG A 34 -6.804 8.800 13.858 1.00 24.53 H new ATOM 0 HH21 ARG A 34 -4.525 11.229 12.690 1.00 30.05 H new ATOM 0 HH22 ARG A 34 -6.227 10.803 12.900 1.00 30.05 H new ATOM 537 N ASN A 35 0.357 3.788 15.316 1.00 33.14 N ATOM 538 CA ASN A 35 0.354 2.634 16.200 1.00 31.22 C ATOM 539 C ASN A 35 -0.982 2.611 16.932 1.00 33.02 C ATOM 540 O ASN A 35 -1.078 2.925 18.121 1.00 24.45 O ATOM 541 CB ASN A 35 1.521 2.690 17.193 1.00 0.42 C ATOM 542 CG ASN A 35 1.595 1.455 18.073 1.00 0.13 C ATOM 543 OD1 ASN A 35 1.212 0.357 17.662 1.00 31.01 O ATOM 544 ND2 ASN A 35 2.080 1.622 19.292 1.00 32.11 N ATOM 0 H ASN A 35 0.901 4.581 15.656 1.00 33.14 H new ATOM 0 HA ASN A 35 0.481 1.721 15.618 1.00 31.22 H new ATOM 0 HB2 ASN A 35 2.456 2.797 16.644 1.00 0.42 H new ATOM 0 HB3 ASN A 35 1.417 3.574 17.822 1.00 0.42 H new ATOM 0 HD21 ASN A 35 2.147 0.827 19.928 1.00 32.11 H new ATOM 0 HD22 ASN A 35 2.387 2.546 19.597 1.00 32.11 H new ATOM 551 N ASP A 36 -2.021 2.291 16.183 1.00 41.33 N ATOM 552 CA ASP A 36 -3.388 2.422 16.650 1.00 30.43 C ATOM 553 C ASP A 36 -4.293 1.541 15.796 1.00 54.23 C ATOM 554 O ASP A 36 -3.810 0.820 14.923 1.00 43.03 O ATOM 555 CB ASP A 36 -3.804 3.902 16.560 1.00 51.41 C ATOM 556 CG ASP A 36 -5.181 4.192 17.118 1.00 62.32 C ATOM 557 OD1 ASP A 36 -5.317 4.306 18.351 1.00 13.04 O ATOM 558 OD2 ASP A 36 -6.129 4.310 16.321 1.00 3.15 O ATOM 0 H ASP A 36 -1.940 1.932 15.232 1.00 41.33 H new ATOM 0 HA ASP A 36 -3.475 2.099 17.687 1.00 30.43 H new ATOM 0 HB2 ASP A 36 -3.072 4.507 17.095 1.00 51.41 H new ATOM 0 HB3 ASP A 36 -3.774 4.214 15.516 1.00 51.41 H new ATOM 563 N GLU A 37 -5.591 1.606 16.035 1.00 4.35 N ATOM 564 CA GLU A 37 -6.559 0.813 15.295 1.00 25.02 C ATOM 565 C GLU A 37 -6.825 1.443 13.931 1.00 31.22 C ATOM 566 O GLU A 37 -7.469 0.848 13.067 1.00 21.42 O ATOM 567 CB GLU A 37 -7.856 0.725 16.093 1.00 15.44 C ATOM 568 CG GLU A 37 -7.645 0.311 17.536 1.00 31.02 C ATOM 569 CD GLU A 37 -8.943 0.225 18.304 1.00 31.32 C ATOM 570 OE1 GLU A 37 -9.388 1.255 18.849 1.00 1.43 O ATOM 571 OE2 GLU A 37 -9.524 -0.878 18.361 1.00 35.44 O ATOM 0 H GLU A 37 -6.004 2.209 16.746 1.00 4.35 H new ATOM 0 HA GLU A 37 -6.160 -0.189 15.141 1.00 25.02 H new ATOM 0 HB2 GLU A 37 -8.355 1.694 16.069 1.00 15.44 H new ATOM 0 HB3 GLU A 37 -8.523 0.010 15.611 1.00 15.44 H new ATOM 0 HG2 GLU A 37 -7.144 -0.657 17.564 1.00 31.02 H new ATOM 0 HG3 GLU A 37 -6.984 1.027 18.024 1.00 31.02 H new ATOM 578 N GLN A 38 -6.331 2.659 13.764 1.00 35.43 N ATOM 579 CA GLN A 38 -6.477 3.399 12.520 1.00 22.23 C ATOM 580 C GLN A 38 -5.562 2.825 11.432 1.00 14.11 C ATOM 581 O GLN A 38 -4.347 2.712 11.618 1.00 32.14 O ATOM 582 CB GLN A 38 -6.178 4.881 12.784 1.00 53.24 C ATOM 583 CG GLN A 38 -6.336 5.788 11.575 1.00 41.42 C ATOM 584 CD GLN A 38 -5.073 5.892 10.745 1.00 22.30 C ATOM 585 OE1 GLN A 38 -3.961 5.789 11.263 1.00 23.54 O ATOM 586 NE2 GLN A 38 -5.239 6.097 9.453 1.00 71.24 N ATOM 0 H GLN A 38 -5.817 3.162 14.487 1.00 35.43 H new ATOM 0 HA GLN A 38 -7.500 3.304 12.156 1.00 22.23 H new ATOM 0 HB2 GLN A 38 -6.839 5.235 13.575 1.00 53.24 H new ATOM 0 HB3 GLN A 38 -5.158 4.971 13.157 1.00 53.24 H new ATOM 0 HG2 GLN A 38 -7.146 5.413 10.949 1.00 41.42 H new ATOM 0 HG3 GLN A 38 -6.627 6.784 11.910 1.00 41.42 H new ATOM 0 HE21 GLN A 38 -6.179 6.176 9.066 1.00 71.24 H new ATOM 0 HE22 GLN A 38 -4.427 6.176 8.841 1.00 71.24 H new ATOM 595 N VAL A 39 -6.162 2.453 10.303 1.00 3.43 N ATOM 596 CA VAL A 39 -5.424 1.899 9.169 1.00 14.32 C ATOM 597 C VAL A 39 -5.855 2.578 7.869 1.00 23.24 C ATOM 598 O VAL A 39 -6.860 3.292 7.842 1.00 13.43 O ATOM 599 CB VAL A 39 -5.640 0.370 9.030 1.00 40.20 C ATOM 600 CG1 VAL A 39 -5.069 -0.370 10.228 1.00 51.10 C ATOM 601 CG2 VAL A 39 -7.120 0.046 8.861 1.00 13.02 C ATOM 0 H VAL A 39 -7.168 2.526 10.148 1.00 3.43 H new ATOM 0 HA VAL A 39 -4.367 2.085 9.357 1.00 14.32 H new ATOM 0 HB VAL A 39 -5.110 0.037 8.138 1.00 40.20 H new ATOM 0 HG11 VAL A 39 -5.233 -1.441 10.106 1.00 51.10 H new ATOM 0 HG12 VAL A 39 -3.999 -0.173 10.301 1.00 51.10 H new ATOM 0 HG13 VAL A 39 -5.564 -0.028 11.137 1.00 51.10 H new ATOM 0 HG21 VAL A 39 -7.248 -1.032 8.765 1.00 13.02 H new ATOM 0 HG22 VAL A 39 -7.672 0.401 9.731 1.00 13.02 H new ATOM 0 HG23 VAL A 39 -7.500 0.537 7.965 1.00 13.02 H new ATOM 611 N TYR A 40 -5.106 2.352 6.794 1.00 61.35 N ATOM 612 CA TYR A 40 -5.422 2.956 5.501 1.00 12.35 C ATOM 613 C TYR A 40 -4.952 2.083 4.342 1.00 35.02 C ATOM 614 O TYR A 40 -3.769 2.052 4.026 1.00 4.21 O ATOM 615 CB TYR A 40 -4.767 4.331 5.379 1.00 34.33 C ATOM 616 CG TYR A 40 -5.745 5.478 5.305 1.00 24.53 C ATOM 617 CD1 TYR A 40 -6.448 5.743 4.139 1.00 44.02 C ATOM 618 CD2 TYR A 40 -5.957 6.305 6.398 1.00 15.41 C ATOM 619 CE1 TYR A 40 -7.334 6.798 4.066 1.00 33.23 C ATOM 620 CE2 TYR A 40 -6.844 7.360 6.335 1.00 62.23 C ATOM 621 CZ TYR A 40 -7.529 7.604 5.168 1.00 34.24 C ATOM 622 OH TYR A 40 -8.405 8.661 5.101 1.00 3.01 O ATOM 0 H TYR A 40 -4.278 1.757 6.791 1.00 61.35 H new ATOM 0 HA TYR A 40 -6.506 3.053 5.450 1.00 12.35 H new ATOM 0 HB2 TYR A 40 -4.108 4.484 6.234 1.00 34.33 H new ATOM 0 HB3 TYR A 40 -4.140 4.345 4.487 1.00 34.33 H new ATOM 0 HD1 TYR A 40 -6.299 5.113 3.274 1.00 44.02 H new ATOM 0 HD2 TYR A 40 -5.418 6.120 7.315 1.00 15.41 H new ATOM 0 HE1 TYR A 40 -7.872 6.992 3.150 1.00 33.23 H new ATOM 0 HE2 TYR A 40 -6.999 7.991 7.198 1.00 62.23 H new ATOM 0 HH TYR A 40 -8.424 9.125 5.964 1.00 3.01 H new ATOM 632 N ALA A 41 -5.872 1.377 3.707 1.00 42.22 N ATOM 633 CA ALA A 41 -5.536 0.582 2.533 1.00 4.15 C ATOM 634 C ALA A 41 -6.015 1.281 1.269 1.00 15.22 C ATOM 635 O ALA A 41 -7.216 1.375 1.016 1.00 31.23 O ATOM 636 CB ALA A 41 -6.135 -0.811 2.637 1.00 23.33 C ATOM 0 H ALA A 41 -6.854 1.336 3.981 1.00 42.22 H new ATOM 0 HA ALA A 41 -4.452 0.480 2.483 1.00 4.15 H new ATOM 0 HB1 ALA A 41 -5.872 -1.387 1.750 1.00 23.33 H new ATOM 0 HB2 ALA A 41 -5.744 -1.310 3.523 1.00 23.33 H new ATOM 0 HB3 ALA A 41 -7.220 -0.736 2.712 1.00 23.33 H new ATOM 642 N ILE A 42 -5.073 1.783 0.480 1.00 71.23 N ATOM 643 CA ILE A 42 -5.405 2.560 -0.708 1.00 3.41 C ATOM 644 C ILE A 42 -4.640 2.053 -1.930 1.00 73.24 C ATOM 645 O ILE A 42 -3.845 1.113 -1.837 1.00 42.51 O ATOM 646 CB ILE A 42 -5.092 4.063 -0.509 1.00 2.25 C ATOM 647 CG1 ILE A 42 -3.589 4.279 -0.317 1.00 4.21 C ATOM 648 CG2 ILE A 42 -5.869 4.621 0.677 1.00 41.25 C ATOM 649 CD1 ILE A 42 -3.188 5.738 -0.270 1.00 33.04 C ATOM 0 H ILE A 42 -4.073 1.666 0.641 1.00 71.23 H new ATOM 0 HA ILE A 42 -6.475 2.438 -0.873 1.00 3.41 H new ATOM 0 HB ILE A 42 -5.404 4.599 -1.405 1.00 2.25 H new ATOM 0 HG12 ILE A 42 -3.276 3.795 0.608 1.00 4.21 H new ATOM 0 HG13 ILE A 42 -3.053 3.789 -1.130 1.00 4.21 H new ATOM 0 HG21 ILE A 42 -5.635 5.678 0.800 1.00 41.25 H new ATOM 0 HG22 ILE A 42 -6.938 4.504 0.499 1.00 41.25 H new ATOM 0 HG23 ILE A 42 -5.590 4.080 1.581 1.00 41.25 H new ATOM 0 HD11 ILE A 42 -2.109 5.815 -0.132 1.00 33.04 H new ATOM 0 HD12 ILE A 42 -3.470 6.223 -1.205 1.00 33.04 H new ATOM 0 HD13 ILE A 42 -3.696 6.228 0.561 1.00 33.04 H new ATOM 661 N SER A 43 -4.881 2.680 -3.072 1.00 33.23 N ATOM 662 CA SER A 43 -4.180 2.330 -4.296 1.00 1.22 C ATOM 663 C SER A 43 -2.823 3.023 -4.321 1.00 4.15 C ATOM 664 O SER A 43 -2.665 4.072 -4.940 1.00 62.43 O ATOM 665 CB SER A 43 -4.998 2.753 -5.518 1.00 33.51 C ATOM 666 OG SER A 43 -6.359 2.387 -5.376 1.00 44.10 O ATOM 0 H SER A 43 -5.559 3.435 -3.175 1.00 33.23 H new ATOM 0 HA SER A 43 -4.039 1.250 -4.326 1.00 1.22 H new ATOM 0 HB2 SER A 43 -4.921 3.832 -5.654 1.00 33.51 H new ATOM 0 HB3 SER A 43 -4.585 2.288 -6.414 1.00 33.51 H new ATOM 0 HG SER A 43 -6.420 1.433 -5.162 1.00 44.10 H new ATOM 672 N ASN A 44 -1.858 2.459 -3.614 1.00 20.45 N ATOM 673 CA ASN A 44 -0.544 3.079 -3.503 1.00 61.42 C ATOM 674 C ASN A 44 0.536 2.111 -3.966 1.00 62.11 C ATOM 675 O ASN A 44 1.301 1.569 -3.172 1.00 22.31 O ATOM 676 CB ASN A 44 -0.302 3.536 -2.062 1.00 71.45 C ATOM 677 CG ASN A 44 0.914 4.429 -1.921 1.00 0.33 C ATOM 678 OD1 ASN A 44 2.010 3.960 -1.629 1.00 24.31 O ATOM 679 ND2 ASN A 44 0.725 5.725 -2.124 1.00 73.33 N ATOM 0 H ASN A 44 -1.956 1.578 -3.110 1.00 20.45 H new ATOM 0 HA ASN A 44 -0.505 3.957 -4.148 1.00 61.42 H new ATOM 0 HB2 ASN A 44 -1.182 4.070 -1.703 1.00 71.45 H new ATOM 0 HB3 ASN A 44 -0.179 2.660 -1.425 1.00 71.45 H new ATOM 0 HD21 ASN A 44 1.507 6.374 -2.039 1.00 73.33 H new ATOM 0 HD22 ASN A 44 -0.203 6.073 -2.365 1.00 73.33 H new ATOM 686 N ILE A 45 0.559 1.874 -5.269 1.00 15.45 N ATOM 687 CA ILE A 45 1.502 0.947 -5.874 1.00 43.21 C ATOM 688 C ILE A 45 2.246 1.647 -6.997 1.00 42.10 C ATOM 689 O ILE A 45 1.631 2.308 -7.832 1.00 14.15 O ATOM 690 CB ILE A 45 0.779 -0.293 -6.455 1.00 10.10 C ATOM 691 CG1 ILE A 45 -0.149 -0.934 -5.416 1.00 71.33 C ATOM 692 CG2 ILE A 45 1.788 -1.312 -6.968 1.00 55.42 C ATOM 693 CD1 ILE A 45 0.565 -1.422 -4.175 1.00 25.40 C ATOM 0 H ILE A 45 -0.074 2.318 -5.935 1.00 15.45 H new ATOM 0 HA ILE A 45 2.195 0.617 -5.100 1.00 43.21 H new ATOM 0 HB ILE A 45 0.166 0.042 -7.292 1.00 10.10 H new ATOM 0 HG12 ILE A 45 -0.908 -0.208 -5.125 1.00 71.33 H new ATOM 0 HG13 ILE A 45 -0.670 -1.773 -5.877 1.00 71.33 H new ATOM 0 HG21 ILE A 45 1.260 -2.176 -7.372 1.00 55.42 H new ATOM 0 HG22 ILE A 45 2.396 -0.859 -7.751 1.00 55.42 H new ATOM 0 HG23 ILE A 45 2.432 -1.631 -6.148 1.00 55.42 H new ATOM 0 HD11 ILE A 45 -0.158 -1.862 -3.489 1.00 25.40 H new ATOM 0 HD12 ILE A 45 1.305 -2.172 -4.453 1.00 25.40 H new ATOM 0 HD13 ILE A 45 1.063 -0.583 -3.688 1.00 25.40 H new ATOM 705 N ASP A 46 3.562 1.517 -7.012 1.00 3.25 N ATOM 706 CA ASP A 46 4.359 2.114 -8.073 1.00 34.34 C ATOM 707 C ASP A 46 4.384 1.189 -9.280 1.00 12.03 C ATOM 708 O ASP A 46 4.800 0.033 -9.174 1.00 3.21 O ATOM 709 CB ASP A 46 5.782 2.387 -7.591 1.00 3.30 C ATOM 710 CG ASP A 46 6.603 3.131 -8.622 1.00 3.54 C ATOM 711 OD1 ASP A 46 7.172 2.478 -9.521 1.00 42.44 O ATOM 712 OD2 ASP A 46 6.687 4.371 -8.535 1.00 54.12 O ATOM 0 H ASP A 46 4.098 1.008 -6.309 1.00 3.25 H new ATOM 0 HA ASP A 46 3.906 3.064 -8.357 1.00 34.34 H new ATOM 0 HB2 ASP A 46 5.746 2.968 -6.670 1.00 3.30 H new ATOM 0 HB3 ASP A 46 6.271 1.442 -7.353 1.00 3.30 H new ATOM 717 N PRO A 47 3.928 1.678 -10.441 1.00 41.14 N ATOM 718 CA PRO A 47 3.809 0.870 -11.660 1.00 44.32 C ATOM 719 C PRO A 47 5.150 0.339 -12.165 1.00 35.11 C ATOM 720 O PRO A 47 5.193 -0.604 -12.954 1.00 24.40 O ATOM 721 CB PRO A 47 3.209 1.838 -12.687 1.00 50.11 C ATOM 722 CG PRO A 47 2.617 2.942 -11.880 1.00 32.42 C ATOM 723 CD PRO A 47 3.477 3.061 -10.657 1.00 33.31 C ATOM 0 HA PRO A 47 3.205 -0.019 -11.480 1.00 44.32 H new ATOM 0 HB2 PRO A 47 3.973 2.213 -13.368 1.00 50.11 H new ATOM 0 HB3 PRO A 47 2.452 1.346 -13.297 1.00 50.11 H new ATOM 0 HG2 PRO A 47 2.606 3.875 -12.443 1.00 32.42 H new ATOM 0 HG3 PRO A 47 1.584 2.720 -11.612 1.00 32.42 H new ATOM 0 HD2 PRO A 47 4.315 3.740 -10.816 1.00 33.31 H new ATOM 0 HD3 PRO A 47 2.916 3.442 -9.803 1.00 33.31 H new ATOM 731 N PHE A 48 6.238 0.936 -11.700 1.00 1.40 N ATOM 732 CA PHE A 48 7.569 0.550 -12.144 1.00 4.22 C ATOM 733 C PHE A 48 8.234 -0.363 -11.117 1.00 24.34 C ATOM 734 O PHE A 48 9.407 -0.711 -11.247 1.00 40.23 O ATOM 735 CB PHE A 48 8.431 1.794 -12.376 1.00 53.02 C ATOM 736 CG PHE A 48 7.830 2.775 -13.343 1.00 52.31 C ATOM 737 CD1 PHE A 48 7.960 2.590 -14.710 1.00 33.51 C ATOM 738 CD2 PHE A 48 7.131 3.880 -12.884 1.00 73.01 C ATOM 739 CE1 PHE A 48 7.405 3.490 -15.601 1.00 23.25 C ATOM 740 CE2 PHE A 48 6.573 4.784 -13.768 1.00 12.45 C ATOM 741 CZ PHE A 48 6.709 4.587 -15.129 1.00 55.32 C ATOM 0 H PHE A 48 6.225 1.691 -11.014 1.00 1.40 H new ATOM 0 HA PHE A 48 7.474 0.005 -13.083 1.00 4.22 H new ATOM 0 HB2 PHE A 48 8.596 2.294 -11.421 1.00 53.02 H new ATOM 0 HB3 PHE A 48 9.408 1.484 -12.747 1.00 53.02 H new ATOM 0 HD1 PHE A 48 8.501 1.733 -15.084 1.00 33.51 H new ATOM 0 HD2 PHE A 48 7.021 4.037 -11.821 1.00 73.01 H new ATOM 0 HE1 PHE A 48 7.515 3.336 -16.664 1.00 23.25 H new ATOM 0 HE2 PHE A 48 6.032 5.642 -13.396 1.00 12.45 H new ATOM 0 HZ PHE A 48 6.272 5.289 -15.823 1.00 55.32 H new ATOM 751 N ALA A 49 7.476 -0.738 -10.093 1.00 23.22 N ATOM 752 CA ALA A 49 7.984 -1.617 -9.044 1.00 1.13 C ATOM 753 C ALA A 49 7.010 -2.756 -8.742 1.00 24.34 C ATOM 754 O ALA A 49 7.423 -3.839 -8.328 1.00 12.21 O ATOM 755 CB ALA A 49 8.270 -0.814 -7.782 1.00 62.03 C ATOM 0 H ALA A 49 6.507 -0.447 -9.966 1.00 23.22 H new ATOM 0 HA ALA A 49 8.911 -2.064 -9.402 1.00 1.13 H new ATOM 0 HB1 ALA A 49 8.648 -1.479 -7.006 1.00 62.03 H new ATOM 0 HB2 ALA A 49 9.015 -0.048 -7.999 1.00 62.03 H new ATOM 0 HB3 ALA A 49 7.352 -0.339 -7.437 1.00 62.03 H new ATOM 761 N GLN A 50 5.717 -2.486 -8.937 1.00 72.22 N ATOM 762 CA GLN A 50 4.650 -3.474 -8.733 1.00 41.11 C ATOM 763 C GLN A 50 4.492 -3.806 -7.244 1.00 62.41 C ATOM 764 O GLN A 50 3.908 -4.826 -6.873 1.00 71.14 O ATOM 765 CB GLN A 50 4.924 -4.751 -9.543 1.00 74.51 C ATOM 766 CG GLN A 50 3.666 -5.533 -9.893 1.00 35.44 C ATOM 767 CD GLN A 50 2.793 -4.802 -10.898 1.00 73.14 C ATOM 768 OE1 GLN A 50 3.290 -4.064 -11.749 1.00 44.23 O ATOM 769 NE2 GLN A 50 1.488 -4.992 -10.804 1.00 60.31 N ATOM 0 H GLN A 50 5.378 -1.574 -9.242 1.00 72.22 H new ATOM 0 HA GLN A 50 3.716 -3.038 -9.088 1.00 41.11 H new ATOM 0 HB2 GLN A 50 5.443 -4.483 -10.463 1.00 74.51 H new ATOM 0 HB3 GLN A 50 5.595 -5.395 -8.975 1.00 74.51 H new ATOM 0 HG2 GLN A 50 3.946 -6.505 -10.298 1.00 35.44 H new ATOM 0 HG3 GLN A 50 3.093 -5.719 -8.985 1.00 35.44 H new ATOM 0 HE21 GLN A 50 1.113 -5.611 -10.085 1.00 60.31 H new ATOM 0 HE22 GLN A 50 0.856 -4.519 -11.450 1.00 60.31 H new ATOM 778 N ALA A 51 4.992 -2.914 -6.398 1.00 31.10 N ATOM 779 CA ALA A 51 4.930 -3.084 -4.952 1.00 73.02 C ATOM 780 C ALA A 51 4.673 -1.744 -4.285 1.00 14.21 C ATOM 781 O ALA A 51 4.771 -0.691 -4.924 1.00 24.31 O ATOM 782 CB ALA A 51 6.225 -3.697 -4.436 1.00 15.23 C ATOM 0 H ALA A 51 5.452 -2.053 -6.695 1.00 31.10 H new ATOM 0 HA ALA A 51 4.110 -3.760 -4.709 1.00 73.02 H new ATOM 0 HB1 ALA A 51 6.165 -3.818 -3.354 1.00 15.23 H new ATOM 0 HB2 ALA A 51 6.378 -4.670 -4.902 1.00 15.23 H new ATOM 0 HB3 ALA A 51 7.061 -3.042 -4.681 1.00 15.23 H new ATOM 788 N SER A 52 4.355 -1.788 -3.007 1.00 11.35 N ATOM 789 CA SER A 52 4.052 -0.591 -2.242 1.00 64.14 C ATOM 790 C SER A 52 5.334 0.101 -1.780 1.00 32.10 C ATOM 791 O SER A 52 5.529 0.355 -0.589 1.00 0.34 O ATOM 792 CB SER A 52 3.193 -0.977 -1.043 1.00 32.34 C ATOM 793 OG SER A 52 3.784 -2.053 -0.335 1.00 42.13 O ATOM 0 H SER A 52 4.299 -2.652 -2.468 1.00 11.35 H new ATOM 0 HA SER A 52 3.508 0.111 -2.874 1.00 64.14 H new ATOM 0 HB2 SER A 52 3.076 -0.119 -0.381 1.00 32.34 H new ATOM 0 HB3 SER A 52 2.195 -1.259 -1.379 1.00 32.34 H new ATOM 0 HG SER A 52 4.500 -1.712 0.240 1.00 42.13 H new ATOM 799 N VAL A 53 6.203 0.426 -2.729 1.00 62.30 N ATOM 800 CA VAL A 53 7.461 1.090 -2.402 1.00 45.30 C ATOM 801 C VAL A 53 7.193 2.524 -1.972 1.00 42.14 C ATOM 802 O VAL A 53 7.989 3.143 -1.270 1.00 60.32 O ATOM 803 CB VAL A 53 8.460 1.074 -3.581 1.00 45.42 C ATOM 804 CG1 VAL A 53 8.853 -0.355 -3.927 1.00 30.24 C ATOM 805 CG2 VAL A 53 7.882 1.780 -4.798 1.00 1.41 C ATOM 0 H VAL A 53 6.063 0.243 -3.723 1.00 62.30 H new ATOM 0 HA VAL A 53 7.917 0.534 -1.583 1.00 45.30 H new ATOM 0 HB VAL A 53 9.355 1.615 -3.273 1.00 45.42 H new ATOM 0 HG11 VAL A 53 9.557 -0.347 -4.759 1.00 30.24 H new ATOM 0 HG12 VAL A 53 9.320 -0.824 -3.061 1.00 30.24 H new ATOM 0 HG13 VAL A 53 7.964 -0.919 -4.209 1.00 30.24 H new ATOM 0 HG21 VAL A 53 8.606 1.754 -5.612 1.00 1.41 H new ATOM 0 HG22 VAL A 53 6.967 1.277 -5.110 1.00 1.41 H new ATOM 0 HG23 VAL A 53 7.658 2.816 -4.545 1.00 1.41 H new ATOM 815 N LEU A 54 6.038 3.031 -2.381 1.00 1.33 N ATOM 816 CA LEU A 54 5.602 4.365 -2.006 1.00 44.24 C ATOM 817 C LEU A 54 5.076 4.349 -0.571 1.00 61.41 C ATOM 818 O LEU A 54 5.018 5.381 0.094 1.00 60.35 O ATOM 819 CB LEU A 54 4.505 4.845 -2.965 1.00 52.12 C ATOM 820 CG LEU A 54 4.838 4.737 -4.456 1.00 14.41 C ATOM 821 CD1 LEU A 54 3.645 5.160 -5.297 1.00 53.23 C ATOM 822 CD2 LEU A 54 6.058 5.578 -4.805 1.00 11.32 C ATOM 0 H LEU A 54 5.381 2.530 -2.979 1.00 1.33 H new ATOM 0 HA LEU A 54 6.447 5.051 -2.068 1.00 44.24 H new ATOM 0 HB2 LEU A 54 3.600 4.270 -2.770 1.00 52.12 H new ATOM 0 HB3 LEU A 54 4.277 5.886 -2.736 1.00 52.12 H new ATOM 0 HG LEU A 54 5.070 3.695 -4.677 1.00 14.41 H new ATOM 0 HD11 LEU A 54 3.898 5.078 -6.354 1.00 53.23 H new ATOM 0 HD12 LEU A 54 2.796 4.513 -5.075 1.00 53.23 H new ATOM 0 HD13 LEU A 54 3.385 6.193 -5.066 1.00 53.23 H new ATOM 0 HD21 LEU A 54 6.273 5.483 -5.869 1.00 11.32 H new ATOM 0 HD22 LEU A 54 5.860 6.623 -4.566 1.00 11.32 H new ATOM 0 HD23 LEU A 54 6.916 5.231 -4.230 1.00 11.32 H new ATOM 834 N SER A 55 4.728 3.155 -0.098 1.00 70.30 N ATOM 835 CA SER A 55 4.117 2.987 1.213 1.00 55.02 C ATOM 836 C SER A 55 5.171 2.762 2.298 1.00 61.14 C ATOM 837 O SER A 55 4.906 2.951 3.484 1.00 51.10 O ATOM 838 CB SER A 55 3.158 1.798 1.179 1.00 55.23 C ATOM 839 OG SER A 55 2.328 1.845 0.031 1.00 65.53 O ATOM 0 H SER A 55 4.861 2.283 -0.611 1.00 70.30 H new ATOM 0 HA SER A 55 3.574 3.901 1.454 1.00 55.02 H new ATOM 0 HB2 SER A 55 3.726 0.868 1.183 1.00 55.23 H new ATOM 0 HB3 SER A 55 2.541 1.798 2.078 1.00 55.23 H new ATOM 0 HG SER A 55 2.310 2.759 -0.323 1.00 65.53 H new ATOM 845 N ARG A 56 6.368 2.359 1.891 1.00 61.51 N ATOM 846 CA ARG A 56 7.431 2.067 2.842 1.00 22.41 C ATOM 847 C ARG A 56 8.377 3.264 2.947 1.00 32.54 C ATOM 848 O ARG A 56 9.559 3.127 3.270 1.00 23.04 O ATOM 849 CB ARG A 56 8.182 0.795 2.423 1.00 22.24 C ATOM 850 CG ARG A 56 9.068 0.225 3.520 1.00 12.31 C ATOM 851 CD ARG A 56 9.669 -1.116 3.129 1.00 42.45 C ATOM 852 NE ARG A 56 10.548 -1.641 4.175 1.00 63.33 N ATOM 853 CZ ARG A 56 10.663 -2.934 4.481 1.00 1.24 C ATOM 854 NH1 ARG A 56 9.953 -3.843 3.825 1.00 44.42 N ATOM 855 NH2 ARG A 56 11.491 -3.317 5.445 1.00 23.50 N ATOM 0 H ARG A 56 6.626 2.228 0.913 1.00 61.51 H new ATOM 0 HA ARG A 56 6.998 1.889 3.826 1.00 22.41 H new ATOM 0 HB2 ARG A 56 7.458 0.038 2.121 1.00 22.24 H new ATOM 0 HB3 ARG A 56 8.795 1.016 1.549 1.00 22.24 H new ATOM 0 HG2 ARG A 56 9.869 0.930 3.742 1.00 12.31 H new ATOM 0 HG3 ARG A 56 8.484 0.108 4.433 1.00 12.31 H new ATOM 0 HD2 ARG A 56 8.869 -1.830 2.934 1.00 42.45 H new ATOM 0 HD3 ARG A 56 10.232 -1.006 2.202 1.00 42.45 H new ATOM 0 HE ARG A 56 11.109 -0.974 4.705 1.00 63.33 H new ATOM 0 HH11 ARG A 56 9.316 -3.554 3.083 1.00 44.42 H new ATOM 0 HH12 ARG A 56 10.045 -4.831 4.063 1.00 44.42 H new ATOM 0 HH21 ARG A 56 12.040 -2.622 5.952 1.00 23.50 H new ATOM 0 HH22 ARG A 56 11.579 -4.306 5.679 1.00 23.50 H new ATOM 869 N GLY A 57 7.836 4.447 2.682 1.00 74.11 N ATOM 870 CA GLY A 57 8.614 5.662 2.796 1.00 15.24 C ATOM 871 C GLY A 57 8.416 6.338 4.137 1.00 14.44 C ATOM 872 O GLY A 57 8.639 5.728 5.184 1.00 61.25 O ATOM 0 H GLY A 57 6.869 4.585 2.389 1.00 74.11 H new ATOM 0 HA2 GLY A 57 9.670 5.430 2.659 1.00 15.24 H new ATOM 0 HA3 GLY A 57 8.332 6.349 1.998 1.00 15.24 H new ATOM 876 N ILE A 58 7.987 7.590 4.109 1.00 32.21 N ATOM 877 CA ILE A 58 7.756 8.347 5.328 1.00 61.01 C ATOM 878 C ILE A 58 6.273 8.627 5.511 1.00 52.05 C ATOM 879 O ILE A 58 5.699 9.481 4.840 1.00 4.44 O ATOM 880 CB ILE A 58 8.525 9.686 5.328 1.00 21.54 C ATOM 881 CG1 ILE A 58 10.016 9.445 5.088 1.00 51.41 C ATOM 882 CG2 ILE A 58 8.308 10.419 6.647 1.00 62.24 C ATOM 883 CD1 ILE A 58 10.825 10.720 4.969 1.00 15.12 C ATOM 0 H ILE A 58 7.791 8.105 3.251 1.00 32.21 H new ATOM 0 HA ILE A 58 8.122 7.737 6.154 1.00 61.01 H new ATOM 0 HB ILE A 58 8.143 10.308 4.518 1.00 21.54 H new ATOM 0 HG12 ILE A 58 10.415 8.846 5.907 1.00 51.41 H new ATOM 0 HG13 ILE A 58 10.139 8.860 4.176 1.00 51.41 H new ATOM 0 HG21 ILE A 58 8.856 11.361 6.634 1.00 62.24 H new ATOM 0 HG22 ILE A 58 7.245 10.619 6.782 1.00 62.24 H new ATOM 0 HG23 ILE A 58 8.668 9.802 7.470 1.00 62.24 H new ATOM 0 HD11 ILE A 58 11.873 10.472 4.800 1.00 15.12 H new ATOM 0 HD12 ILE A 58 10.452 11.311 4.132 1.00 15.12 H new ATOM 0 HD13 ILE A 58 10.733 11.297 5.889 1.00 15.12 H new ATOM 895 N VAL A 59 5.667 7.890 6.418 1.00 11.04 N ATOM 896 CA VAL A 59 4.277 8.087 6.769 1.00 53.45 C ATOM 897 C VAL A 59 4.192 9.057 7.935 1.00 45.55 C ATOM 898 O VAL A 59 4.531 8.708 9.068 1.00 34.15 O ATOM 899 CB VAL A 59 3.611 6.752 7.155 1.00 62.24 C ATOM 900 CG1 VAL A 59 2.160 6.962 7.570 1.00 74.34 C ATOM 901 CG2 VAL A 59 3.706 5.755 6.007 1.00 1.35 C ATOM 0 H VAL A 59 6.125 7.137 6.933 1.00 11.04 H new ATOM 0 HA VAL A 59 3.751 8.492 5.905 1.00 53.45 H new ATOM 0 HB VAL A 59 4.147 6.343 8.011 1.00 62.24 H new ATOM 0 HG11 VAL A 59 1.715 6.003 7.837 1.00 74.34 H new ATOM 0 HG12 VAL A 59 2.121 7.632 8.429 1.00 74.34 H new ATOM 0 HG13 VAL A 59 1.605 7.401 6.741 1.00 74.34 H new ATOM 0 HG21 VAL A 59 3.230 4.818 6.298 1.00 1.35 H new ATOM 0 HG22 VAL A 59 3.202 6.161 5.130 1.00 1.35 H new ATOM 0 HG23 VAL A 59 4.754 5.571 5.770 1.00 1.35 H new ATOM 911 N ALA A 60 3.788 10.284 7.652 1.00 55.23 N ATOM 912 CA ALA A 60 3.718 11.314 8.675 1.00 14.33 C ATOM 913 C ALA A 60 2.624 12.326 8.368 1.00 73.43 C ATOM 914 O ALA A 60 1.921 12.218 7.364 1.00 22.22 O ATOM 915 CB ALA A 60 5.062 12.020 8.803 1.00 54.42 C ATOM 0 H ALA A 60 3.503 10.591 6.722 1.00 55.23 H new ATOM 0 HA ALA A 60 3.475 10.831 9.621 1.00 14.33 H new ATOM 0 HB1 ALA A 60 4.997 12.789 9.572 1.00 54.42 H new ATOM 0 HB2 ALA A 60 5.829 11.296 9.078 1.00 54.42 H new ATOM 0 HB3 ALA A 60 5.323 12.481 7.850 1.00 54.42 H new ATOM 921 N GLU A 61 2.474 13.297 9.250 1.00 24.42 N ATOM 922 CA GLU A 61 1.539 14.376 9.051 1.00 53.04 C ATOM 923 C GLU A 61 2.289 15.656 8.719 1.00 34.41 C ATOM 924 O GLU A 61 3.506 15.742 8.899 1.00 3.42 O ATOM 925 CB GLU A 61 0.710 14.573 10.316 1.00 42.22 C ATOM 926 CG GLU A 61 1.553 14.833 11.554 1.00 5.34 C ATOM 927 CD GLU A 61 0.735 14.910 12.828 1.00 33.14 C ATOM 928 OE1 GLU A 61 0.060 13.915 13.168 1.00 44.52 O ATOM 929 OE2 GLU A 61 0.778 15.961 13.502 1.00 74.20 O ATOM 0 H GLU A 61 2.999 13.355 10.122 1.00 24.42 H new ATOM 0 HA GLU A 61 0.876 14.129 8.221 1.00 53.04 H new ATOM 0 HB2 GLU A 61 0.027 15.410 10.168 1.00 42.22 H new ATOM 0 HB3 GLU A 61 0.097 13.687 10.482 1.00 42.22 H new ATOM 0 HG2 GLU A 61 2.295 14.041 11.654 1.00 5.34 H new ATOM 0 HG3 GLU A 61 2.100 15.767 11.424 1.00 5.34 H new ATOM 936 N HIS A 62 1.562 16.642 8.248 1.00 31.34 N ATOM 937 CA HIS A 62 2.138 17.939 7.948 1.00 3.32 C ATOM 938 C HIS A 62 1.349 19.016 8.672 1.00 24.22 C ATOM 939 O HIS A 62 0.498 19.677 8.075 1.00 5.01 O ATOM 940 CB HIS A 62 2.160 18.188 6.432 1.00 41.50 C ATOM 941 CG HIS A 62 2.727 19.523 6.025 1.00 31.01 C ATOM 942 ND1 HIS A 62 4.081 19.761 6.017 1.00 64.20 N ATOM 943 CD2 HIS A 62 2.081 20.644 5.618 1.00 44.55 C ATOM 944 CE1 HIS A 62 4.225 21.013 5.606 1.00 55.31 C ATOM 945 NE2 HIS A 62 3.042 21.584 5.355 1.00 30.32 N ATOM 0 H HIS A 62 0.562 16.573 8.062 1.00 31.34 H new ATOM 0 HA HIS A 62 3.171 17.965 8.295 1.00 3.32 H new ATOM 0 HB2 HIS A 62 2.743 17.400 5.956 1.00 41.50 H new ATOM 0 HB3 HIS A 62 1.143 18.108 6.049 1.00 41.50 H new ATOM 0 HD2 HIS A 62 1.013 20.771 5.520 1.00 44.55 H new ATOM 0 HE1 HIS A 62 5.177 21.509 5.489 1.00 55.31 H new ATOM 0 HE2 HIS A 62 2.885 22.538 5.030 1.00 30.32 H new ATOM 953 N GLN A 63 1.606 19.136 9.977 1.00 74.11 N ATOM 954 CA GLN A 63 0.944 20.119 10.842 1.00 43.32 C ATOM 955 C GLN A 63 -0.542 19.802 11.028 1.00 53.42 C ATOM 956 O GLN A 63 -1.006 19.574 12.145 1.00 64.31 O ATOM 957 CB GLN A 63 1.121 21.538 10.287 1.00 45.43 C ATOM 958 CG GLN A 63 2.577 21.946 10.128 1.00 13.20 C ATOM 959 CD GLN A 63 2.740 23.244 9.366 1.00 44.44 C ATOM 960 OE1 GLN A 63 1.916 23.586 8.518 1.00 25.22 O ATOM 961 NE2 GLN A 63 3.807 23.971 9.657 1.00 34.44 N ATOM 0 H GLN A 63 2.283 18.551 10.467 1.00 74.11 H new ATOM 0 HA GLN A 63 1.421 20.062 11.821 1.00 43.32 H new ATOM 0 HB2 GLN A 63 0.624 21.606 9.319 1.00 45.43 H new ATOM 0 HB3 GLN A 63 0.624 22.245 10.951 1.00 45.43 H new ATOM 0 HG2 GLN A 63 3.031 22.049 11.114 1.00 13.20 H new ATOM 0 HG3 GLN A 63 3.117 21.154 9.609 1.00 13.20 H new ATOM 0 HE21 GLN A 63 4.465 23.650 10.367 1.00 34.44 H new ATOM 0 HE22 GLN A 63 3.971 24.853 9.171 1.00 34.44 H new ATOM 970 N ASP A 64 -1.275 19.772 9.928 1.00 43.32 N ATOM 971 CA ASP A 64 -2.712 19.558 9.957 1.00 32.22 C ATOM 972 C ASP A 64 -3.101 18.281 9.219 1.00 20.21 C ATOM 973 O ASP A 64 -3.708 17.381 9.800 1.00 15.41 O ATOM 974 CB ASP A 64 -3.430 20.755 9.333 1.00 30.23 C ATOM 975 CG ASP A 64 -4.933 20.571 9.266 1.00 14.03 C ATOM 976 OD1 ASP A 64 -5.613 20.862 10.273 1.00 61.53 O ATOM 977 OD2 ASP A 64 -5.437 20.158 8.204 1.00 10.41 O ATOM 0 H ASP A 64 -0.891 19.895 8.991 1.00 43.32 H new ATOM 0 HA ASP A 64 -3.014 19.452 10.999 1.00 32.22 H new ATOM 0 HB2 ASP A 64 -3.204 21.650 9.912 1.00 30.23 H new ATOM 0 HB3 ASP A 64 -3.044 20.920 8.327 1.00 30.23 H new ATOM 982 N ASP A 65 -2.736 18.201 7.944 1.00 31.33 N ATOM 983 CA ASP A 65 -3.173 17.096 7.092 1.00 52.12 C ATOM 984 C ASP A 65 -2.171 15.937 7.139 1.00 13.35 C ATOM 985 O ASP A 65 -1.135 16.028 7.802 1.00 35.13 O ATOM 986 CB ASP A 65 -3.357 17.587 5.652 1.00 61.24 C ATOM 987 CG ASP A 65 -4.506 16.896 4.933 1.00 20.11 C ATOM 988 OD1 ASP A 65 -4.598 15.653 4.996 1.00 2.32 O ATOM 989 OD2 ASP A 65 -5.329 17.603 4.306 1.00 62.01 O ATOM 0 H ASP A 65 -2.141 18.885 7.477 1.00 31.33 H new ATOM 0 HA ASP A 65 -4.128 16.729 7.466 1.00 52.12 H new ATOM 0 HB2 ASP A 65 -3.534 18.662 5.660 1.00 61.24 H new ATOM 0 HB3 ASP A 65 -2.434 17.420 5.096 1.00 61.24 H new ATOM 994 N LEU A 66 -2.473 14.864 6.417 1.00 44.43 N ATOM 995 CA LEU A 66 -1.689 13.632 6.479 1.00 52.40 C ATOM 996 C LEU A 66 -1.105 13.292 5.107 1.00 22.03 C ATOM 997 O LEU A 66 -1.845 13.138 4.134 1.00 13.22 O ATOM 998 CB LEU A 66 -2.577 12.482 6.961 1.00 22.25 C ATOM 999 CG LEU A 66 -3.313 12.736 8.281 1.00 40.34 C ATOM 1000 CD1 LEU A 66 -4.271 11.595 8.585 1.00 11.12 C ATOM 1001 CD2 LEU A 66 -2.323 12.919 9.421 1.00 43.34 C ATOM 0 H LEU A 66 -3.264 14.821 5.774 1.00 44.43 H new ATOM 0 HA LEU A 66 -0.866 13.778 7.179 1.00 52.40 H new ATOM 0 HB2 LEU A 66 -3.314 12.265 6.188 1.00 22.25 H new ATOM 0 HB3 LEU A 66 -1.960 11.590 7.073 1.00 22.25 H new ATOM 0 HG LEU A 66 -3.891 13.654 8.179 1.00 40.34 H new ATOM 0 HD11 LEU A 66 -4.785 11.792 9.526 1.00 11.12 H new ATOM 0 HD12 LEU A 66 -5.003 11.511 7.782 1.00 11.12 H new ATOM 0 HD13 LEU A 66 -3.712 10.662 8.665 1.00 11.12 H new ATOM 0 HD21 LEU A 66 -2.866 13.098 10.349 1.00 43.34 H new ATOM 0 HD22 LEU A 66 -1.716 12.020 9.524 1.00 43.34 H new ATOM 0 HD23 LEU A 66 -1.677 13.771 9.208 1.00 43.34 H new ATOM 1013 N TRP A 67 0.216 13.156 5.034 1.00 42.51 N ATOM 1014 CA TRP A 67 0.891 12.974 3.752 1.00 71.13 C ATOM 1015 C TRP A 67 1.982 11.910 3.857 1.00 63.02 C ATOM 1016 O TRP A 67 2.840 11.974 4.738 1.00 73.31 O ATOM 1017 CB TRP A 67 1.522 14.294 3.287 1.00 31.44 C ATOM 1018 CG TRP A 67 0.573 15.457 3.260 1.00 0.00 C ATOM 1019 CD1 TRP A 67 0.192 16.225 4.325 1.00 63.42 C ATOM 1020 CD2 TRP A 67 -0.109 15.989 2.116 1.00 65.22 C ATOM 1021 NE1 TRP A 67 -0.682 17.199 3.916 1.00 4.13 N ATOM 1022 CE2 TRP A 67 -0.886 17.075 2.566 1.00 2.10 C ATOM 1023 CE3 TRP A 67 -0.142 15.655 0.757 1.00 50.51 C ATOM 1024 CZ2 TRP A 67 -1.682 17.828 1.708 1.00 61.24 C ATOM 1025 CZ3 TRP A 67 -0.934 16.405 -0.092 1.00 50.23 C ATOM 1026 CH2 TRP A 67 -1.694 17.478 0.384 1.00 40.32 C ATOM 0 H TRP A 67 0.838 13.168 5.842 1.00 42.51 H new ATOM 0 HA TRP A 67 0.144 12.650 3.027 1.00 71.13 H new ATOM 0 HB2 TRP A 67 2.356 14.536 3.945 1.00 31.44 H new ATOM 0 HB3 TRP A 67 1.935 14.154 2.288 1.00 31.44 H new ATOM 0 HD1 TRP A 67 0.530 16.085 5.341 1.00 63.42 H new ATOM 0 HE1 TRP A 67 -1.111 17.902 4.518 1.00 4.13 H new ATOM 0 HE3 TRP A 67 0.440 14.827 0.379 1.00 50.51 H new ATOM 0 HZ2 TRP A 67 -2.269 18.658 2.073 1.00 61.24 H new ATOM 0 HZ3 TRP A 67 -0.966 16.158 -1.143 1.00 50.23 H new ATOM 0 HH2 TRP A 67 -2.303 18.042 -0.307 1.00 40.32 H new ATOM 1037 N VAL A 68 1.955 10.937 2.960 1.00 34.43 N ATOM 1038 CA VAL A 68 3.007 9.936 2.910 1.00 1.53 C ATOM 1039 C VAL A 68 4.065 10.340 1.886 1.00 10.33 C ATOM 1040 O VAL A 68 3.755 10.669 0.738 1.00 24.22 O ATOM 1041 CB VAL A 68 2.462 8.517 2.598 1.00 1.15 C ATOM 1042 CG1 VAL A 68 1.775 8.459 1.243 1.00 42.30 C ATOM 1043 CG2 VAL A 68 3.576 7.483 2.677 1.00 55.30 C ATOM 0 H VAL A 68 1.221 10.820 2.261 1.00 34.43 H new ATOM 0 HA VAL A 68 3.459 9.890 3.901 1.00 1.53 H new ATOM 0 HB VAL A 68 1.713 8.283 3.355 1.00 1.15 H new ATOM 0 HG11 VAL A 68 1.408 7.448 1.064 1.00 42.30 H new ATOM 0 HG12 VAL A 68 0.938 9.157 1.229 1.00 42.30 H new ATOM 0 HG13 VAL A 68 2.486 8.730 0.463 1.00 42.30 H new ATOM 0 HG21 VAL A 68 3.172 6.495 2.455 1.00 55.30 H new ATOM 0 HG22 VAL A 68 4.353 7.729 1.953 1.00 55.30 H new ATOM 0 HG23 VAL A 68 4.002 7.483 3.680 1.00 55.30 H new ATOM 1053 N ALA A 69 5.309 10.358 2.320 1.00 62.10 N ATOM 1054 CA ALA A 69 6.411 10.736 1.456 1.00 14.15 C ATOM 1055 C ALA A 69 7.096 9.507 0.881 1.00 12.40 C ATOM 1056 O ALA A 69 7.592 8.656 1.623 1.00 33.25 O ATOM 1057 CB ALA A 69 7.412 11.589 2.217 1.00 22.13 C ATOM 0 H ALA A 69 5.584 10.114 3.271 1.00 62.10 H new ATOM 0 HA ALA A 69 6.008 11.321 0.629 1.00 14.15 H new ATOM 0 HB1 ALA A 69 8.233 11.864 1.555 1.00 22.13 H new ATOM 0 HB2 ALA A 69 6.920 12.491 2.579 1.00 22.13 H new ATOM 0 HB3 ALA A 69 7.802 11.024 3.063 1.00 22.13 H new ATOM 1063 N SER A 70 7.099 9.410 -0.436 1.00 32.14 N ATOM 1064 CA SER A 70 7.791 8.331 -1.121 1.00 2.43 C ATOM 1065 C SER A 70 9.299 8.427 -0.880 1.00 2.31 C ATOM 1066 O SER A 70 9.855 9.522 -0.821 1.00 53.32 O ATOM 1067 CB SER A 70 7.486 8.393 -2.622 1.00 53.45 C ATOM 1068 OG SER A 70 8.194 7.395 -3.339 1.00 4.43 O ATOM 0 H SER A 70 6.628 10.069 -1.056 1.00 32.14 H new ATOM 0 HA SER A 70 7.441 7.377 -0.726 1.00 2.43 H new ATOM 0 HB2 SER A 70 6.415 8.267 -2.782 1.00 53.45 H new ATOM 0 HB3 SER A 70 7.752 9.377 -3.008 1.00 53.45 H new ATOM 0 HG SER A 70 7.952 7.440 -4.288 1.00 4.43 H new ATOM 1074 N PRO A 71 9.977 7.283 -0.699 1.00 32.55 N ATOM 1075 CA PRO A 71 11.432 7.253 -0.573 1.00 3.44 C ATOM 1076 C PRO A 71 12.119 7.383 -1.930 1.00 20.52 C ATOM 1077 O PRO A 71 13.110 8.102 -2.079 1.00 11.51 O ATOM 1078 CB PRO A 71 11.704 5.880 0.044 1.00 35.11 C ATOM 1079 CG PRO A 71 10.563 5.027 -0.398 1.00 23.52 C ATOM 1080 CD PRO A 71 9.377 5.941 -0.572 1.00 21.01 C ATOM 0 HA PRO A 71 11.816 8.080 0.024 1.00 3.44 H new ATOM 0 HB2 PRO A 71 12.656 5.475 -0.299 1.00 35.11 H new ATOM 0 HB3 PRO A 71 11.755 5.939 1.131 1.00 35.11 H new ATOM 0 HG2 PRO A 71 10.800 4.519 -1.333 1.00 23.52 H new ATOM 0 HG3 PRO A 71 10.350 4.254 0.340 1.00 23.52 H new ATOM 0 HD2 PRO A 71 8.797 5.678 -1.456 1.00 21.01 H new ATOM 0 HD3 PRO A 71 8.701 5.885 0.281 1.00 21.01 H new ATOM 1088 N LEU A 72 11.564 6.699 -2.921 1.00 62.34 N ATOM 1089 CA LEU A 72 12.127 6.689 -4.262 1.00 61.50 C ATOM 1090 C LEU A 72 11.804 7.985 -5.000 1.00 13.42 C ATOM 1091 O LEU A 72 12.685 8.806 -5.246 1.00 30.01 O ATOM 1092 CB LEU A 72 11.588 5.492 -5.050 1.00 44.43 C ATOM 1093 CG LEU A 72 12.650 4.548 -5.617 1.00 71.31 C ATOM 1094 CD1 LEU A 72 11.993 3.403 -6.374 1.00 73.10 C ATOM 1095 CD2 LEU A 72 13.608 5.302 -6.526 1.00 63.33 C ATOM 0 H LEU A 72 10.717 6.140 -2.819 1.00 62.34 H new ATOM 0 HA LEU A 72 13.210 6.604 -4.175 1.00 61.50 H new ATOM 0 HB2 LEU A 72 10.926 4.919 -4.400 1.00 44.43 H new ATOM 0 HB3 LEU A 72 10.980 5.865 -5.874 1.00 44.43 H new ATOM 0 HG LEU A 72 13.220 4.134 -4.785 1.00 71.31 H new ATOM 0 HD11 LEU A 72 12.762 2.741 -6.771 1.00 73.10 H new ATOM 0 HD12 LEU A 72 11.346 2.844 -5.698 1.00 73.10 H new ATOM 0 HD13 LEU A 72 11.399 3.803 -7.196 1.00 73.10 H new ATOM 0 HD21 LEU A 72 14.355 4.613 -6.919 1.00 63.33 H new ATOM 0 HD22 LEU A 72 13.053 5.745 -7.353 1.00 63.33 H new ATOM 0 HD23 LEU A 72 14.104 6.090 -5.959 1.00 63.33 H new ATOM 1107 N LYS A 73 10.533 8.172 -5.334 1.00 1.02 N ATOM 1108 CA LYS A 73 10.115 9.321 -6.132 1.00 35.34 C ATOM 1109 C LYS A 73 9.970 10.568 -5.268 1.00 54.34 C ATOM 1110 O LYS A 73 9.960 11.685 -5.779 1.00 73.43 O ATOM 1111 CB LYS A 73 8.801 9.030 -6.871 1.00 4.50 C ATOM 1112 CG LYS A 73 8.954 8.090 -8.063 1.00 12.21 C ATOM 1113 CD LYS A 73 9.262 6.665 -7.634 1.00 73.15 C ATOM 1114 CE LYS A 73 9.667 5.794 -8.815 1.00 52.33 C ATOM 1115 NZ LYS A 73 8.572 5.623 -9.805 1.00 42.21 N ATOM 0 H LYS A 73 9.774 7.545 -5.066 1.00 1.02 H new ATOM 0 HA LYS A 73 10.893 9.506 -6.872 1.00 35.34 H new ATOM 0 HB2 LYS A 73 8.089 8.596 -6.168 1.00 4.50 H new ATOM 0 HB3 LYS A 73 8.374 9.972 -7.216 1.00 4.50 H new ATOM 0 HG2 LYS A 73 8.037 8.100 -8.652 1.00 12.21 H new ATOM 0 HG3 LYS A 73 9.752 8.453 -8.710 1.00 12.21 H new ATOM 0 HD2 LYS A 73 10.064 6.673 -6.896 1.00 73.15 H new ATOM 0 HD3 LYS A 73 8.386 6.234 -7.148 1.00 73.15 H new ATOM 0 HE2 LYS A 73 10.531 6.238 -9.309 1.00 52.33 H new ATOM 0 HE3 LYS A 73 9.977 4.815 -8.450 1.00 52.33 H new ATOM 0 HZ1 LYS A 73 8.873 4.955 -10.543 1.00 42.21 H new ATOM 0 HZ2 LYS A 73 7.726 5.253 -9.327 1.00 42.21 H new ATOM 0 HZ3 LYS A 73 8.350 6.542 -10.239 1.00 42.21 H new ATOM 1129 N LYS A 74 9.845 10.356 -3.962 1.00 10.33 N ATOM 1130 CA LYS A 74 9.781 11.443 -2.978 1.00 22.24 C ATOM 1131 C LYS A 74 8.562 12.339 -3.173 1.00 5.41 C ATOM 1132 O LYS A 74 8.500 13.444 -2.634 1.00 73.31 O ATOM 1133 CB LYS A 74 11.074 12.261 -2.997 1.00 33.13 C ATOM 1134 CG LYS A 74 12.266 11.480 -2.475 1.00 52.14 C ATOM 1135 CD LYS A 74 13.543 12.301 -2.504 1.00 61.13 C ATOM 1136 CE LYS A 74 14.687 11.550 -1.845 1.00 4.13 C ATOM 1137 NZ LYS A 74 14.921 10.222 -2.471 1.00 12.23 N ATOM 0 H LYS A 74 9.785 9.425 -3.550 1.00 10.33 H new ATOM 0 HA LYS A 74 9.673 10.981 -1.997 1.00 22.24 H new ATOM 0 HB2 LYS A 74 11.277 12.589 -4.016 1.00 33.13 H new ATOM 0 HB3 LYS A 74 10.940 13.159 -2.394 1.00 33.13 H new ATOM 0 HG2 LYS A 74 12.067 11.155 -1.454 1.00 52.14 H new ATOM 0 HG3 LYS A 74 12.400 10.580 -3.075 1.00 52.14 H new ATOM 0 HD2 LYS A 74 13.805 12.537 -3.535 1.00 61.13 H new ATOM 0 HD3 LYS A 74 13.382 13.249 -1.991 1.00 61.13 H new ATOM 0 HE2 LYS A 74 15.597 12.146 -1.911 1.00 4.13 H new ATOM 0 HE3 LYS A 74 14.469 11.417 -0.785 1.00 4.13 H new ATOM 0 HZ1 LYS A 74 15.825 9.834 -2.134 1.00 12.23 H new ATOM 0 HZ2 LYS A 74 14.149 9.575 -2.212 1.00 12.23 H new ATOM 0 HZ3 LYS A 74 14.953 10.327 -3.505 1.00 12.23 H new ATOM 1151 N GLN A 75 7.584 11.847 -3.917 1.00 22.44 N ATOM 1152 CA GLN A 75 6.321 12.547 -4.065 1.00 14.02 C ATOM 1153 C GLN A 75 5.468 12.323 -2.824 1.00 25.32 C ATOM 1154 O GLN A 75 5.497 11.244 -2.227 1.00 73.33 O ATOM 1155 CB GLN A 75 5.585 12.074 -5.322 1.00 72.31 C ATOM 1156 CG GLN A 75 6.314 12.423 -6.611 1.00 14.05 C ATOM 1157 CD GLN A 75 5.606 11.908 -7.848 1.00 32.03 C ATOM 1158 OE1 GLN A 75 4.382 11.775 -7.874 1.00 52.45 O ATOM 1159 NE2 GLN A 75 6.371 11.627 -8.890 1.00 31.35 N ATOM 0 H GLN A 75 7.642 10.966 -4.427 1.00 22.44 H new ATOM 0 HA GLN A 75 6.515 13.614 -4.175 1.00 14.02 H new ATOM 0 HB2 GLN A 75 5.449 10.994 -5.270 1.00 72.31 H new ATOM 0 HB3 GLN A 75 4.591 12.520 -5.342 1.00 72.31 H new ATOM 0 HG2 GLN A 75 6.417 13.506 -6.682 1.00 14.05 H new ATOM 0 HG3 GLN A 75 7.321 12.008 -6.576 1.00 14.05 H new ATOM 0 HE21 GLN A 75 7.382 11.751 -8.829 1.00 31.35 H new ATOM 0 HE22 GLN A 75 5.950 11.287 -9.755 1.00 31.35 H new ATOM 1168 N HIS A 76 4.735 13.348 -2.424 1.00 13.30 N ATOM 1169 CA HIS A 76 3.943 13.292 -1.203 1.00 14.20 C ATOM 1170 C HIS A 76 2.484 13.023 -1.532 1.00 24.35 C ATOM 1171 O HIS A 76 1.829 13.839 -2.169 1.00 13.02 O ATOM 1172 CB HIS A 76 4.062 14.605 -0.427 1.00 42.02 C ATOM 1173 CG HIS A 76 5.474 15.031 -0.166 1.00 61.14 C ATOM 1174 ND1 HIS A 76 6.221 15.739 -1.078 1.00 62.35 N ATOM 1175 CD2 HIS A 76 6.276 14.843 0.909 1.00 44.23 C ATOM 1176 CE1 HIS A 76 7.419 15.970 -0.579 1.00 61.22 C ATOM 1177 NE2 HIS A 76 7.481 15.438 0.627 1.00 51.03 N ATOM 0 H HIS A 76 4.671 14.233 -2.928 1.00 13.30 H new ATOM 0 HA HIS A 76 4.325 12.480 -0.585 1.00 14.20 H new ATOM 0 HB2 HIS A 76 3.553 15.392 -0.983 1.00 42.02 H new ATOM 0 HB3 HIS A 76 3.542 14.501 0.526 1.00 42.02 H new ATOM 0 HD2 HIS A 76 6.016 14.322 1.819 1.00 44.23 H new ATOM 0 HE1 HIS A 76 8.216 16.505 -1.074 1.00 61.22 H new ATOM 0 HE2 HIS A 76 8.290 15.464 1.247 1.00 51.03 H new ATOM 1186 N PHE A 77 1.984 11.881 -1.099 1.00 62.35 N ATOM 1187 CA PHE A 77 0.608 11.501 -1.376 1.00 14.34 C ATOM 1188 C PHE A 77 -0.237 11.641 -0.118 1.00 55.44 C ATOM 1189 O PHE A 77 0.097 11.080 0.926 1.00 3.30 O ATOM 1190 CB PHE A 77 0.542 10.058 -1.889 1.00 44.22 C ATOM 1191 CG PHE A 77 1.419 9.793 -3.078 1.00 13.31 C ATOM 1192 CD1 PHE A 77 1.014 10.155 -4.353 1.00 55.45 C ATOM 1193 CD2 PHE A 77 2.654 9.182 -2.920 1.00 64.14 C ATOM 1194 CE1 PHE A 77 1.822 9.909 -5.447 1.00 33.35 C ATOM 1195 CE2 PHE A 77 3.464 8.934 -4.008 1.00 20.02 C ATOM 1196 CZ PHE A 77 3.049 9.299 -5.274 1.00 32.11 C ATOM 0 H PHE A 77 2.510 11.198 -0.553 1.00 62.35 H new ATOM 0 HA PHE A 77 0.215 12.165 -2.146 1.00 14.34 H new ATOM 0 HB2 PHE A 77 0.827 9.383 -1.082 1.00 44.22 H new ATOM 0 HB3 PHE A 77 -0.490 9.823 -2.152 1.00 44.22 H new ATOM 0 HD1 PHE A 77 0.057 10.635 -4.493 1.00 55.45 H new ATOM 0 HD2 PHE A 77 2.985 8.897 -1.932 1.00 64.14 H new ATOM 0 HE1 PHE A 77 1.494 10.193 -6.436 1.00 33.35 H new ATOM 0 HE2 PHE A 77 4.422 8.455 -3.870 1.00 20.02 H new ATOM 0 HZ PHE A 77 3.683 9.108 -6.127 1.00 32.11 H new ATOM 1206 N ARG A 78 -1.315 12.404 -0.206 1.00 14.51 N ATOM 1207 CA ARG A 78 -2.213 12.566 0.925 1.00 21.21 C ATOM 1208 C ARG A 78 -3.025 11.299 1.144 1.00 75.22 C ATOM 1209 O ARG A 78 -3.736 10.840 0.245 1.00 55.11 O ATOM 1210 CB ARG A 78 -3.146 13.765 0.729 1.00 24.42 C ATOM 1211 CG ARG A 78 -4.139 13.937 1.865 1.00 23.13 C ATOM 1212 CD ARG A 78 -4.746 15.326 1.887 1.00 44.51 C ATOM 1213 NE ARG A 78 -5.565 15.610 0.714 1.00 41.22 N ATOM 1214 CZ ARG A 78 -6.288 16.720 0.581 1.00 71.35 C ATOM 1215 NH1 ARG A 78 -6.344 17.600 1.576 1.00 73.23 N ATOM 1216 NH2 ARG A 78 -6.973 16.941 -0.532 1.00 20.43 N ATOM 0 H ARG A 78 -1.588 12.918 -1.044 1.00 14.51 H new ATOM 0 HA ARG A 78 -1.604 12.754 1.809 1.00 21.21 H new ATOM 0 HB2 ARG A 78 -2.548 14.672 0.636 1.00 24.42 H new ATOM 0 HB3 ARG A 78 -3.691 13.645 -0.207 1.00 24.42 H new ATOM 0 HG2 ARG A 78 -4.933 13.197 1.767 1.00 23.13 H new ATOM 0 HG3 ARG A 78 -3.639 13.745 2.815 1.00 23.13 H new ATOM 0 HD2 ARG A 78 -5.356 15.436 2.784 1.00 44.51 H new ATOM 0 HD3 ARG A 78 -3.947 16.064 1.953 1.00 44.51 H new ATOM 0 HE ARG A 78 -5.585 14.925 -0.041 1.00 41.22 H new ATOM 0 HH11 ARG A 78 -5.833 17.425 2.441 1.00 73.23 H new ATOM 0 HH12 ARG A 78 -6.898 18.450 1.474 1.00 73.23 H new ATOM 0 HH21 ARG A 78 -6.947 16.259 -1.290 1.00 20.43 H new ATOM 0 HH22 ARG A 78 -7.526 17.793 -0.630 1.00 20.43 H new ATOM 1230 N LEU A 79 -2.908 10.736 2.337 1.00 74.13 N ATOM 1231 CA LEU A 79 -3.646 9.532 2.690 1.00 2.42 C ATOM 1232 C LEU A 79 -5.100 9.872 2.983 1.00 42.30 C ATOM 1233 O LEU A 79 -5.503 9.982 4.144 1.00 61.34 O ATOM 1234 CB LEU A 79 -3.010 8.844 3.903 1.00 31.54 C ATOM 1235 CG LEU A 79 -1.576 8.351 3.700 1.00 12.33 C ATOM 1236 CD1 LEU A 79 -1.034 7.752 4.989 1.00 71.40 C ATOM 1237 CD2 LEU A 79 -1.515 7.333 2.573 1.00 32.24 C ATOM 0 H LEU A 79 -2.307 11.095 3.079 1.00 74.13 H new ATOM 0 HA LEU A 79 -3.608 8.846 1.844 1.00 2.42 H new ATOM 0 HB2 LEU A 79 -3.022 9.540 4.742 1.00 31.54 H new ATOM 0 HB3 LEU A 79 -3.632 7.994 4.185 1.00 31.54 H new ATOM 0 HG LEU A 79 -0.954 9.203 3.426 1.00 12.33 H new ATOM 0 HD11 LEU A 79 -0.013 7.406 4.828 1.00 71.40 H new ATOM 0 HD12 LEU A 79 -1.041 8.509 5.773 1.00 71.40 H new ATOM 0 HD13 LEU A 79 -1.659 6.911 5.290 1.00 71.40 H new ATOM 0 HD21 LEU A 79 -0.487 6.994 2.444 1.00 32.24 H new ATOM 0 HD22 LEU A 79 -2.150 6.481 2.817 1.00 32.24 H new ATOM 0 HD23 LEU A 79 -1.864 7.792 1.648 1.00 32.24 H new ATOM 1249 N TYR A 80 -5.869 10.073 1.922 1.00 65.54 N ATOM 1250 CA TYR A 80 -7.267 10.454 2.040 1.00 55.44 C ATOM 1251 C TYR A 80 -7.911 10.478 0.663 1.00 1.43 C ATOM 1252 O TYR A 80 -8.815 9.700 0.374 1.00 62.23 O ATOM 1253 CB TYR A 80 -7.387 11.836 2.695 1.00 61.21 C ATOM 1254 CG TYR A 80 -8.783 12.186 3.157 1.00 54.42 C ATOM 1255 CD1 TYR A 80 -9.382 11.476 4.185 1.00 50.52 C ATOM 1256 CD2 TYR A 80 -9.495 13.232 2.579 1.00 30.12 C ATOM 1257 CE1 TYR A 80 -10.649 11.789 4.625 1.00 1.44 C ATOM 1258 CE2 TYR A 80 -10.766 13.556 3.018 1.00 51.45 C ATOM 1259 CZ TYR A 80 -11.338 12.829 4.043 1.00 31.20 C ATOM 1260 OH TYR A 80 -12.601 13.144 4.491 1.00 32.42 O ATOM 0 H TYR A 80 -5.542 9.977 0.961 1.00 65.54 H new ATOM 0 HA TYR A 80 -7.780 9.723 2.665 1.00 55.44 H new ATOM 0 HB2 TYR A 80 -6.712 11.880 3.550 1.00 61.21 H new ATOM 0 HB3 TYR A 80 -7.052 12.592 1.985 1.00 61.21 H new ATOM 0 HD1 TYR A 80 -8.845 10.662 4.650 1.00 50.52 H new ATOM 0 HD2 TYR A 80 -9.049 13.799 1.776 1.00 30.12 H new ATOM 0 HE1 TYR A 80 -11.101 11.220 5.424 1.00 1.44 H new ATOM 0 HE2 TYR A 80 -11.307 14.372 2.562 1.00 51.45 H new ATOM 0 HH TYR A 80 -12.950 13.902 3.978 1.00 32.42 H new ATOM 1270 N ASP A 81 -7.422 11.372 -0.186 1.00 2.13 N ATOM 1271 CA ASP A 81 -7.959 11.534 -1.533 1.00 10.21 C ATOM 1272 C ASP A 81 -6.950 11.081 -2.583 1.00 70.24 C ATOM 1273 O ASP A 81 -7.319 10.739 -3.706 1.00 4.51 O ATOM 1274 CB ASP A 81 -8.354 12.995 -1.776 1.00 34.43 C ATOM 1275 CG ASP A 81 -7.172 13.953 -1.760 1.00 73.04 C ATOM 1276 OD1 ASP A 81 -6.161 13.667 -1.077 1.00 22.21 O ATOM 1277 OD2 ASP A 81 -7.256 15.010 -2.423 1.00 22.45 O ATOM 0 H ASP A 81 -6.650 12.000 0.035 1.00 2.13 H new ATOM 0 HA ASP A 81 -8.847 10.907 -1.621 1.00 10.21 H new ATOM 0 HB2 ASP A 81 -8.860 13.071 -2.738 1.00 34.43 H new ATOM 0 HB3 ASP A 81 -9.070 13.301 -1.014 1.00 34.43 H new ATOM 1282 N GLY A 82 -5.676 11.083 -2.213 1.00 23.25 N ATOM 1283 CA GLY A 82 -4.638 10.651 -3.128 1.00 23.54 C ATOM 1284 C GLY A 82 -3.975 11.814 -3.840 1.00 60.20 C ATOM 1285 O GLY A 82 -3.350 11.636 -4.888 1.00 72.34 O ATOM 0 H GLY A 82 -5.343 11.376 -1.295 1.00 23.25 H new ATOM 0 HA2 GLY A 82 -3.884 10.088 -2.578 1.00 23.54 H new ATOM 0 HA3 GLY A 82 -5.067 9.973 -3.866 1.00 23.54 H new ATOM 1289 N PHE A 83 -4.122 13.007 -3.275 1.00 71.25 N ATOM 1290 CA PHE A 83 -3.522 14.210 -3.842 1.00 32.13 C ATOM 1291 C PHE A 83 -1.999 14.174 -3.689 1.00 44.21 C ATOM 1292 O PHE A 83 -1.484 13.861 -2.615 1.00 45.40 O ATOM 1293 CB PHE A 83 -4.104 15.444 -3.149 1.00 42.43 C ATOM 1294 CG PHE A 83 -3.784 16.748 -3.823 1.00 60.20 C ATOM 1295 CD1 PHE A 83 -4.109 16.953 -5.154 1.00 74.41 C ATOM 1296 CD2 PHE A 83 -3.167 17.770 -3.124 1.00 74.13 C ATOM 1297 CE1 PHE A 83 -3.822 18.150 -5.776 1.00 64.20 C ATOM 1298 CE2 PHE A 83 -2.878 18.972 -3.741 1.00 21.14 C ATOM 1299 CZ PHE A 83 -3.207 19.162 -5.068 1.00 62.42 C ATOM 0 H PHE A 83 -4.655 13.168 -2.420 1.00 71.25 H new ATOM 0 HA PHE A 83 -3.752 14.257 -4.906 1.00 32.13 H new ATOM 0 HB2 PHE A 83 -5.187 15.336 -3.092 1.00 42.43 H new ATOM 0 HB3 PHE A 83 -3.733 15.479 -2.125 1.00 42.43 H new ATOM 0 HD1 PHE A 83 -4.593 16.165 -5.712 1.00 74.41 H new ATOM 0 HD2 PHE A 83 -2.909 17.627 -2.085 1.00 74.13 H new ATOM 0 HE1 PHE A 83 -4.078 18.295 -6.815 1.00 64.20 H new ATOM 0 HE2 PHE A 83 -2.395 19.762 -3.185 1.00 21.14 H new ATOM 0 HZ PHE A 83 -2.983 20.102 -5.551 1.00 62.42 H new ATOM 1309 N CYS A 84 -1.288 14.509 -4.762 1.00 63.13 N ATOM 1310 CA CYS A 84 0.173 14.416 -4.793 1.00 72.15 C ATOM 1311 C CYS A 84 0.846 15.700 -4.286 1.00 31.34 C ATOM 1312 O CYS A 84 1.992 15.992 -4.645 1.00 42.33 O ATOM 1313 CB CYS A 84 0.634 14.117 -6.220 1.00 55.15 C ATOM 1314 SG CYS A 84 -0.168 12.680 -6.970 1.00 42.42 S ATOM 0 H CYS A 84 -1.702 14.850 -5.629 1.00 63.13 H new ATOM 0 HA CYS A 84 0.469 13.607 -4.125 1.00 72.15 H new ATOM 0 HB2 CYS A 84 0.444 14.991 -6.842 1.00 55.15 H new ATOM 0 HB3 CYS A 84 1.712 13.957 -6.216 1.00 55.15 H new ATOM 0 HG CYS A 84 0.230 11.598 -6.369 1.00 42.42 H new ATOM 1320 N LEU A 85 0.135 16.437 -3.428 1.00 73.20 N ATOM 1321 CA LEU A 85 0.628 17.685 -2.829 1.00 3.11 C ATOM 1322 C LEU A 85 0.886 18.769 -3.876 1.00 1.01 C ATOM 1323 O LEU A 85 0.073 19.673 -4.053 1.00 14.45 O ATOM 1324 CB LEU A 85 1.898 17.443 -1.998 1.00 21.42 C ATOM 1325 CG LEU A 85 2.483 18.688 -1.319 1.00 20.44 C ATOM 1326 CD1 LEU A 85 1.511 19.258 -0.298 1.00 62.40 C ATOM 1327 CD2 LEU A 85 3.817 18.364 -0.665 1.00 0.50 C ATOM 0 H LEU A 85 -0.806 16.184 -3.126 1.00 73.20 H new ATOM 0 HA LEU A 85 -0.162 18.042 -2.168 1.00 3.11 H new ATOM 0 HB2 LEU A 85 1.675 16.702 -1.231 1.00 21.42 H new ATOM 0 HB3 LEU A 85 2.660 17.011 -2.647 1.00 21.42 H new ATOM 0 HG LEU A 85 2.650 19.444 -2.086 1.00 20.44 H new ATOM 0 HD11 LEU A 85 1.950 20.140 0.169 1.00 62.40 H new ATOM 0 HD12 LEU A 85 0.582 19.535 -0.796 1.00 62.40 H new ATOM 0 HD13 LEU A 85 1.304 18.508 0.465 1.00 62.40 H new ATOM 0 HD21 LEU A 85 4.216 19.260 -0.189 1.00 0.50 H new ATOM 0 HD22 LEU A 85 3.675 17.587 0.086 1.00 0.50 H new ATOM 0 HD23 LEU A 85 4.518 18.013 -1.422 1.00 0.50 H new ATOM 1339 N GLU A 86 2.014 18.675 -4.562 1.00 23.10 N ATOM 1340 CA GLU A 86 2.414 19.703 -5.508 1.00 5.25 C ATOM 1341 C GLU A 86 2.722 19.087 -6.871 1.00 40.02 C ATOM 1342 O GLU A 86 2.939 19.795 -7.852 1.00 13.50 O ATOM 1343 CB GLU A 86 3.635 20.450 -4.961 1.00 45.14 C ATOM 1344 CG GLU A 86 3.939 21.755 -5.677 1.00 32.44 C ATOM 1345 CD GLU A 86 5.146 22.460 -5.099 1.00 44.53 C ATOM 1346 OE1 GLU A 86 4.983 23.226 -4.125 1.00 75.52 O ATOM 1347 OE2 GLU A 86 6.266 22.249 -5.609 1.00 40.34 O ATOM 0 H GLU A 86 2.669 17.897 -4.481 1.00 23.10 H new ATOM 0 HA GLU A 86 1.594 20.409 -5.639 1.00 5.25 H new ATOM 0 HB2 GLU A 86 3.476 20.658 -3.903 1.00 45.14 H new ATOM 0 HB3 GLU A 86 4.506 19.799 -5.030 1.00 45.14 H new ATOM 0 HG2 GLU A 86 4.110 21.555 -6.735 1.00 32.44 H new ATOM 0 HG3 GLU A 86 3.072 22.412 -5.613 1.00 32.44 H new ATOM 1354 N ASP A 87 2.728 17.764 -6.935 1.00 22.53 N ATOM 1355 CA ASP A 87 2.993 17.071 -8.189 1.00 21.31 C ATOM 1356 C ASP A 87 1.674 16.564 -8.770 1.00 63.32 C ATOM 1357 O ASP A 87 0.606 16.821 -8.210 1.00 34.01 O ATOM 1358 CB ASP A 87 3.970 15.905 -7.966 1.00 62.02 C ATOM 1359 CG ASP A 87 4.794 15.572 -9.201 1.00 2.31 C ATOM 1360 OD1 ASP A 87 4.224 15.075 -10.198 1.00 43.44 O ATOM 1361 OD2 ASP A 87 6.021 15.804 -9.180 1.00 21.23 O ATOM 0 H ASP A 87 2.554 17.151 -6.139 1.00 22.53 H new ATOM 0 HA ASP A 87 3.454 17.763 -8.893 1.00 21.31 H new ATOM 0 HB2 ASP A 87 4.642 16.154 -7.145 1.00 62.02 H new ATOM 0 HB3 ASP A 87 3.409 15.022 -7.662 1.00 62.02 H new ATOM 1366 N GLY A 88 1.745 15.848 -9.877 1.00 23.43 N ATOM 1367 CA GLY A 88 0.546 15.340 -10.509 1.00 64.13 C ATOM 1368 C GLY A 88 0.850 14.263 -11.528 1.00 64.43 C ATOM 1369 O GLY A 88 0.057 14.025 -12.437 1.00 32.22 O ATOM 0 H GLY A 88 2.615 15.607 -10.353 1.00 23.43 H new ATOM 0 HA2 GLY A 88 -0.122 14.939 -9.747 1.00 64.13 H new ATOM 0 HA3 GLY A 88 0.018 16.160 -10.996 1.00 64.13 H new ATOM 1373 N ALA A 89 2.005 13.621 -11.386 1.00 2.33 N ATOM 1374 CA ALA A 89 2.394 12.546 -12.288 1.00 15.42 C ATOM 1375 C ALA A 89 1.465 11.346 -12.133 1.00 10.03 C ATOM 1376 O ALA A 89 0.820 10.917 -13.085 1.00 60.03 O ATOM 1377 CB ALA A 89 3.836 12.139 -12.033 1.00 15.20 C ATOM 0 H ALA A 89 2.686 13.827 -10.655 1.00 2.33 H new ATOM 0 HA ALA A 89 2.310 12.910 -13.312 1.00 15.42 H new ATOM 0 HB1 ALA A 89 4.113 11.335 -12.714 1.00 15.20 H new ATOM 0 HB2 ALA A 89 4.490 12.995 -12.197 1.00 15.20 H new ATOM 0 HB3 ALA A 89 3.940 11.795 -11.004 1.00 15.20 H new ATOM 1383 N TYR A 90 1.391 10.818 -10.922 1.00 52.43 N ATOM 1384 CA TYR A 90 0.538 9.677 -10.643 1.00 63.11 C ATOM 1385 C TYR A 90 -0.320 9.934 -9.413 1.00 14.42 C ATOM 1386 O TYR A 90 0.115 9.705 -8.285 1.00 73.20 O ATOM 1387 CB TYR A 90 1.368 8.405 -10.444 1.00 3.11 C ATOM 1388 CG TYR A 90 1.705 7.676 -11.727 1.00 0.12 C ATOM 1389 CD1 TYR A 90 2.865 7.960 -12.437 1.00 62.44 C ATOM 1390 CD2 TYR A 90 0.858 6.692 -12.220 1.00 53.11 C ATOM 1391 CE1 TYR A 90 3.170 7.282 -13.604 1.00 13.52 C ATOM 1392 CE2 TYR A 90 1.157 6.008 -13.383 1.00 60.31 C ATOM 1393 CZ TYR A 90 2.314 6.307 -14.072 1.00 2.12 C ATOM 1394 OH TYR A 90 2.618 5.623 -15.229 1.00 64.43 O ATOM 0 H TYR A 90 1.913 11.163 -10.116 1.00 52.43 H new ATOM 0 HA TYR A 90 -0.115 9.533 -11.504 1.00 63.11 H new ATOM 0 HB2 TYR A 90 2.295 8.666 -9.933 1.00 3.11 H new ATOM 0 HB3 TYR A 90 0.822 7.728 -9.787 1.00 3.11 H new ATOM 0 HD1 TYR A 90 3.539 8.721 -12.073 1.00 62.44 H new ATOM 0 HD2 TYR A 90 -0.050 6.457 -11.685 1.00 53.11 H new ATOM 0 HE1 TYR A 90 4.074 7.515 -14.146 1.00 13.52 H new ATOM 0 HE2 TYR A 90 0.488 5.244 -13.750 1.00 60.31 H new ATOM 0 HH TYR A 90 1.912 4.970 -15.418 1.00 64.43 H new ATOM 1404 N SER A 91 -1.516 10.453 -9.636 1.00 21.10 N ATOM 1405 CA SER A 91 -2.485 10.608 -8.565 1.00 22.00 C ATOM 1406 C SER A 91 -3.070 9.246 -8.210 1.00 1.53 C ATOM 1407 O SER A 91 -3.497 8.495 -9.090 1.00 11.43 O ATOM 1408 CB SER A 91 -3.593 11.569 -8.993 1.00 2.34 C ATOM 1409 OG SER A 91 -3.051 12.808 -9.426 1.00 54.41 O ATOM 0 H SER A 91 -1.839 10.774 -10.549 1.00 21.10 H new ATOM 0 HA SER A 91 -1.990 11.024 -7.687 1.00 22.00 H new ATOM 0 HB2 SER A 91 -4.177 11.122 -9.798 1.00 2.34 H new ATOM 0 HB3 SER A 91 -4.275 11.737 -8.160 1.00 2.34 H new ATOM 0 HG SER A 91 -3.778 13.407 -9.696 1.00 54.41 H new ATOM 1415 N VAL A 92 -3.077 8.923 -6.929 1.00 14.14 N ATOM 1416 CA VAL A 92 -3.510 7.608 -6.486 1.00 42.43 C ATOM 1417 C VAL A 92 -4.978 7.620 -6.066 1.00 31.14 C ATOM 1418 O VAL A 92 -5.661 8.639 -6.191 1.00 31.00 O ATOM 1419 CB VAL A 92 -2.634 7.086 -5.328 1.00 34.13 C ATOM 1420 CG1 VAL A 92 -1.193 6.911 -5.790 1.00 54.22 C ATOM 1421 CG2 VAL A 92 -2.702 8.013 -4.122 1.00 60.23 C ATOM 0 H VAL A 92 -2.789 9.551 -6.178 1.00 14.14 H new ATOM 0 HA VAL A 92 -3.397 6.932 -7.334 1.00 42.43 H new ATOM 0 HB VAL A 92 -3.023 6.115 -5.023 1.00 34.13 H new ATOM 0 HG11 VAL A 92 -0.588 6.542 -4.962 1.00 54.22 H new ATOM 0 HG12 VAL A 92 -1.159 6.195 -6.611 1.00 54.22 H new ATOM 0 HG13 VAL A 92 -0.800 7.870 -6.128 1.00 54.22 H new ATOM 0 HG21 VAL A 92 -2.074 7.618 -3.323 1.00 60.23 H new ATOM 0 HG22 VAL A 92 -2.348 9.004 -4.405 1.00 60.23 H new ATOM 0 HG23 VAL A 92 -3.732 8.081 -3.773 1.00 60.23 H new ATOM 1431 N ALA A 93 -5.458 6.483 -5.579 1.00 52.34 N ATOM 1432 CA ALA A 93 -6.849 6.352 -5.168 1.00 72.20 C ATOM 1433 C ALA A 93 -6.944 5.759 -3.768 1.00 61.42 C ATOM 1434 O ALA A 93 -5.925 5.426 -3.159 1.00 2.03 O ATOM 1435 CB ALA A 93 -7.612 5.494 -6.166 1.00 53.23 C ATOM 0 H ALA A 93 -4.902 5.636 -5.459 1.00 52.34 H new ATOM 0 HA ALA A 93 -7.299 7.345 -5.146 1.00 72.20 H new ATOM 0 HB1 ALA A 93 -8.651 5.403 -5.848 1.00 53.23 H new ATOM 0 HB2 ALA A 93 -7.573 5.960 -7.151 1.00 53.23 H new ATOM 0 HB3 ALA A 93 -7.160 4.504 -6.215 1.00 53.23 H new ATOM 1441 N ALA A 94 -8.166 5.597 -3.273 1.00 12.11 N ATOM 1442 CA ALA A 94 -8.391 5.155 -1.911 1.00 75.23 C ATOM 1443 C ALA A 94 -9.593 4.225 -1.840 1.00 15.01 C ATOM 1444 O ALA A 94 -10.686 4.566 -2.292 1.00 20.32 O ATOM 1445 CB ALA A 94 -8.594 6.352 -0.990 1.00 64.21 C ATOM 0 H ALA A 94 -9.020 5.768 -3.804 1.00 12.11 H new ATOM 0 HA ALA A 94 -7.510 4.605 -1.580 1.00 75.23 H new ATOM 0 HB1 ALA A 94 -8.762 6.003 0.029 1.00 64.21 H new ATOM 0 HB2 ALA A 94 -7.707 6.985 -1.015 1.00 64.21 H new ATOM 0 HB3 ALA A 94 -9.459 6.925 -1.324 1.00 64.21 H new ATOM 1451 N TYR A 95 -9.369 3.042 -1.299 1.00 54.21 N ATOM 1452 CA TYR A 95 -10.442 2.083 -1.070 1.00 73.03 C ATOM 1453 C TYR A 95 -11.046 2.308 0.310 1.00 50.02 C ATOM 1454 O TYR A 95 -10.498 3.055 1.118 1.00 71.32 O ATOM 1455 CB TYR A 95 -9.921 0.645 -1.159 1.00 74.54 C ATOM 1456 CG TYR A 95 -9.267 0.297 -2.477 1.00 0.31 C ATOM 1457 CD1 TYR A 95 -10.023 -0.124 -3.564 1.00 62.34 C ATOM 1458 CD2 TYR A 95 -7.891 0.375 -2.626 1.00 41.41 C ATOM 1459 CE1 TYR A 95 -9.423 -0.451 -4.767 1.00 32.02 C ATOM 1460 CE2 TYR A 95 -7.284 0.049 -3.821 1.00 15.23 C ATOM 1461 CZ TYR A 95 -8.051 -0.364 -4.888 1.00 52.35 C ATOM 1462 OH TYR A 95 -7.441 -0.690 -6.079 1.00 12.12 O ATOM 0 H TYR A 95 -8.447 2.717 -1.007 1.00 54.21 H new ATOM 0 HA TYR A 95 -11.199 2.231 -1.840 1.00 73.03 H new ATOM 0 HB2 TYR A 95 -9.202 0.482 -0.356 1.00 74.54 H new ATOM 0 HB3 TYR A 95 -10.751 -0.040 -0.987 1.00 74.54 H new ATOM 0 HD1 TYR A 95 -11.096 -0.197 -3.468 1.00 62.34 H new ATOM 0 HD2 TYR A 95 -7.284 0.696 -1.792 1.00 41.41 H new ATOM 0 HE1 TYR A 95 -10.024 -0.772 -5.605 1.00 32.02 H new ATOM 0 HE2 TYR A 95 -6.211 0.117 -3.920 1.00 15.23 H new ATOM 0 HH TYR A 95 -6.472 -0.573 -5.993 1.00 12.12 H new ATOM 1472 N ASP A 96 -12.167 1.657 0.579 1.00 62.13 N ATOM 1473 CA ASP A 96 -12.793 1.748 1.890 1.00 11.52 C ATOM 1474 C ASP A 96 -12.435 0.514 2.711 1.00 54.01 C ATOM 1475 O ASP A 96 -12.418 -0.602 2.186 1.00 44.33 O ATOM 1476 CB ASP A 96 -14.311 1.895 1.761 1.00 74.40 C ATOM 1477 CG ASP A 96 -14.987 2.184 3.088 1.00 63.35 C ATOM 1478 OD1 ASP A 96 -14.326 2.734 3.997 1.00 4.13 O ATOM 1479 OD2 ASP A 96 -16.186 1.864 3.232 1.00 63.14 O ATOM 0 H ASP A 96 -12.660 1.063 -0.088 1.00 62.13 H new ATOM 0 HA ASP A 96 -12.419 2.635 2.401 1.00 11.52 H new ATOM 0 HB2 ASP A 96 -14.536 2.700 1.061 1.00 74.40 H new ATOM 0 HB3 ASP A 96 -14.726 0.980 1.339 1.00 74.40 H new ATOM 1484 N THR A 97 -12.141 0.722 3.985 1.00 41.40 N ATOM 1485 CA THR A 97 -11.644 -0.334 4.857 1.00 12.04 C ATOM 1486 C THR A 97 -12.482 -0.436 6.130 1.00 55.22 C ATOM 1487 O THR A 97 -13.138 0.528 6.531 1.00 14.43 O ATOM 1488 CB THR A 97 -10.181 -0.047 5.258 1.00 14.41 C ATOM 1489 OG1 THR A 97 -10.079 1.260 5.850 1.00 31.33 O ATOM 1490 CG2 THR A 97 -9.259 -0.126 4.056 1.00 14.13 C ATOM 0 H THR A 97 -12.240 1.627 4.445 1.00 41.40 H new ATOM 0 HA THR A 97 -11.708 -1.273 4.307 1.00 12.04 H new ATOM 0 HB THR A 97 -9.877 -0.804 5.981 1.00 14.41 H new ATOM 0 HG1 THR A 97 -9.148 1.433 6.103 1.00 31.33 H new ATOM 0 HG21 THR A 97 -8.235 0.081 4.368 1.00 14.13 H new ATOM 0 HG22 THR A 97 -9.312 -1.125 3.622 1.00 14.13 H new ATOM 0 HG23 THR A 97 -9.567 0.609 3.312 1.00 14.13 H new ATOM 1498 N GLN A 98 -12.465 -1.607 6.756 1.00 63.00 N ATOM 1499 CA GLN A 98 -13.089 -1.786 8.058 1.00 3.15 C ATOM 1500 C GLN A 98 -12.452 -2.946 8.809 1.00 44.13 C ATOM 1501 O GLN A 98 -12.109 -3.975 8.222 1.00 62.11 O ATOM 1502 CB GLN A 98 -14.597 -2.022 7.930 1.00 13.21 C ATOM 1503 CG GLN A 98 -14.966 -3.221 7.068 1.00 2.55 C ATOM 1504 CD GLN A 98 -16.454 -3.523 7.086 1.00 65.44 C ATOM 1505 OE1 GLN A 98 -16.866 -4.672 6.935 1.00 62.52 O ATOM 1506 NE2 GLN A 98 -17.269 -2.497 7.271 1.00 52.42 N ATOM 0 H GLN A 98 -12.025 -2.447 6.381 1.00 63.00 H new ATOM 0 HA GLN A 98 -12.930 -0.866 8.620 1.00 3.15 H new ATOM 0 HB2 GLN A 98 -15.018 -2.160 8.926 1.00 13.21 H new ATOM 0 HB3 GLN A 98 -15.059 -1.129 7.509 1.00 13.21 H new ATOM 0 HG2 GLN A 98 -14.650 -3.036 6.041 1.00 2.55 H new ATOM 0 HG3 GLN A 98 -14.418 -4.096 7.417 1.00 2.55 H new ATOM 0 HE21 GLN A 98 -16.888 -1.559 7.392 1.00 52.42 H new ATOM 0 HE22 GLN A 98 -18.278 -2.645 7.292 1.00 52.42 H new ATOM 1515 N VAL A 99 -12.283 -2.762 10.104 1.00 24.11 N ATOM 1516 CA VAL A 99 -11.776 -3.810 10.972 1.00 14.53 C ATOM 1517 C VAL A 99 -12.907 -4.297 11.864 1.00 15.25 C ATOM 1518 O VAL A 99 -13.156 -3.742 12.935 1.00 32.11 O ATOM 1519 CB VAL A 99 -10.600 -3.319 11.842 1.00 71.12 C ATOM 1520 CG1 VAL A 99 -10.010 -4.468 12.650 1.00 64.32 C ATOM 1521 CG2 VAL A 99 -9.533 -2.660 10.979 1.00 1.11 C ATOM 0 H VAL A 99 -12.492 -1.886 10.584 1.00 24.11 H new ATOM 0 HA VAL A 99 -11.403 -4.622 10.348 1.00 14.53 H new ATOM 0 HB VAL A 99 -10.980 -2.574 12.541 1.00 71.12 H new ATOM 0 HG11 VAL A 99 -9.182 -4.099 13.256 1.00 64.32 H new ATOM 0 HG12 VAL A 99 -10.778 -4.887 13.301 1.00 64.32 H new ATOM 0 HG13 VAL A 99 -9.647 -5.241 11.972 1.00 64.32 H new ATOM 0 HG21 VAL A 99 -8.712 -2.321 11.611 1.00 1.11 H new ATOM 0 HG22 VAL A 99 -9.157 -3.380 10.252 1.00 1.11 H new ATOM 0 HG23 VAL A 99 -9.964 -1.807 10.455 1.00 1.11 H new ATOM 1531 N THR A 100 -13.617 -5.309 11.403 1.00 23.12 N ATOM 1532 CA THR A 100 -14.830 -5.739 12.080 1.00 33.33 C ATOM 1533 C THR A 100 -14.669 -7.137 12.679 1.00 43.35 C ATOM 1534 O THR A 100 -15.550 -7.625 13.385 1.00 72.34 O ATOM 1535 CB THR A 100 -16.033 -5.703 11.106 1.00 61.34 C ATOM 1536 OG1 THR A 100 -17.270 -5.817 11.821 1.00 34.51 O ATOM 1537 CG2 THR A 100 -15.935 -6.817 10.071 1.00 73.14 C ATOM 0 H THR A 100 -13.379 -5.846 10.569 1.00 23.12 H new ATOM 0 HA THR A 100 -15.019 -5.045 12.899 1.00 33.33 H new ATOM 0 HB THR A 100 -16.008 -4.743 10.590 1.00 61.34 H new ATOM 0 HG1 THR A 100 -17.145 -6.398 12.600 1.00 34.51 H new ATOM 0 HG21 THR A 100 -16.793 -6.767 9.401 1.00 73.14 H new ATOM 0 HG22 THR A 100 -15.017 -6.699 9.495 1.00 73.14 H new ATOM 0 HG23 THR A 100 -15.925 -7.783 10.576 1.00 73.14 H new ATOM 1545 N ASN A 101 -13.534 -7.767 12.412 1.00 51.15 N ATOM 1546 CA ASN A 101 -13.286 -9.129 12.882 1.00 54.13 C ATOM 1547 C ASN A 101 -11.835 -9.297 13.316 1.00 52.02 C ATOM 1548 O ASN A 101 -11.299 -10.405 13.314 1.00 32.31 O ATOM 1549 CB ASN A 101 -13.617 -10.142 11.774 1.00 35.15 C ATOM 1550 CG ASN A 101 -12.742 -9.977 10.540 1.00 72.44 C ATOM 1551 OD1 ASN A 101 -12.306 -8.874 10.210 1.00 14.13 O ATOM 1552 ND2 ASN A 101 -12.468 -11.075 9.852 1.00 74.11 N ATOM 0 H ASN A 101 -12.769 -7.360 11.873 1.00 51.15 H new ATOM 0 HA ASN A 101 -13.930 -9.313 13.742 1.00 54.13 H new ATOM 0 HB2 ASN A 101 -13.498 -11.152 12.165 1.00 35.15 H new ATOM 0 HB3 ASN A 101 -14.663 -10.032 11.489 1.00 35.15 H new ATOM 0 HD21 ASN A 101 -11.879 -11.022 9.021 1.00 74.11 H new ATOM 0 HD22 ASN A 101 -12.846 -11.973 10.153 1.00 74.11 H new ATOM 1559 N GLY A 102 -11.205 -8.195 13.698 1.00 34.22 N ATOM 1560 CA GLY A 102 -9.793 -8.226 14.047 1.00 50.44 C ATOM 1561 C GLY A 102 -8.914 -8.136 12.817 1.00 31.42 C ATOM 1562 O GLY A 102 -7.725 -7.815 12.898 1.00 52.22 O ATOM 0 H GLY A 102 -11.644 -7.278 13.774 1.00 34.22 H new ATOM 0 HA2 GLY A 102 -9.565 -7.399 14.719 1.00 50.44 H new ATOM 0 HA3 GLY A 102 -9.571 -9.146 14.587 1.00 50.44 H new ATOM 1566 N ASN A 103 -9.513 -8.424 11.674 1.00 4.30 N ATOM 1567 CA ASN A 103 -8.831 -8.349 10.401 1.00 40.12 C ATOM 1568 C ASN A 103 -9.321 -7.129 9.640 1.00 63.00 C ATOM 1569 O ASN A 103 -10.414 -6.622 9.900 1.00 14.35 O ATOM 1570 CB ASN A 103 -9.081 -9.617 9.579 1.00 72.24 C ATOM 1571 CG ASN A 103 -8.511 -10.869 10.227 1.00 13.35 C ATOM 1572 OD1 ASN A 103 -7.363 -11.234 9.986 1.00 33.42 O ATOM 1573 ND2 ASN A 103 -9.311 -11.541 11.043 1.00 34.23 N ATOM 0 H ASN A 103 -10.488 -8.717 11.607 1.00 4.30 H new ATOM 0 HA ASN A 103 -7.759 -8.263 10.577 1.00 40.12 H new ATOM 0 HB2 ASN A 103 -10.154 -9.745 9.437 1.00 72.24 H new ATOM 0 HB3 ASN A 103 -8.641 -9.494 8.590 1.00 72.24 H new ATOM 0 HD21 ASN A 103 -8.979 -12.393 11.495 1.00 34.23 H new ATOM 0 HD22 ASN A 103 -10.258 -11.206 11.218 1.00 34.23 H new ATOM 1580 N VAL A 104 -8.513 -6.653 8.716 1.00 43.53 N ATOM 1581 CA VAL A 104 -8.868 -5.487 7.930 1.00 74.34 C ATOM 1582 C VAL A 104 -9.508 -5.911 6.616 1.00 15.21 C ATOM 1583 O VAL A 104 -8.885 -6.589 5.796 1.00 44.51 O ATOM 1584 CB VAL A 104 -7.633 -4.607 7.640 1.00 72.05 C ATOM 1585 CG1 VAL A 104 -8.034 -3.341 6.895 1.00 74.01 C ATOM 1586 CG2 VAL A 104 -6.901 -4.265 8.930 1.00 5.11 C ATOM 0 H VAL A 104 -7.604 -7.056 8.489 1.00 43.53 H new ATOM 0 HA VAL A 104 -9.580 -4.902 8.511 1.00 74.34 H new ATOM 0 HB VAL A 104 -6.954 -5.174 7.003 1.00 72.05 H new ATOM 0 HG11 VAL A 104 -7.148 -2.737 6.702 1.00 74.01 H new ATOM 0 HG12 VAL A 104 -8.504 -3.609 5.949 1.00 74.01 H new ATOM 0 HG13 VAL A 104 -8.738 -2.770 7.501 1.00 74.01 H new ATOM 0 HG21 VAL A 104 -6.034 -3.644 8.703 1.00 5.11 H new ATOM 0 HG22 VAL A 104 -7.572 -3.722 9.596 1.00 5.11 H new ATOM 0 HG23 VAL A 104 -6.572 -5.183 9.416 1.00 5.11 H new ATOM 1596 N GLN A 105 -10.762 -5.532 6.432 1.00 60.21 N ATOM 1597 CA GLN A 105 -11.470 -5.816 5.200 1.00 52.31 C ATOM 1598 C GLN A 105 -11.528 -4.570 4.332 1.00 42.14 C ATOM 1599 O GLN A 105 -11.722 -3.464 4.834 1.00 12.52 O ATOM 1600 CB GLN A 105 -12.890 -6.310 5.494 1.00 35.51 C ATOM 1601 CG GLN A 105 -12.941 -7.588 6.318 1.00 71.54 C ATOM 1602 CD GLN A 105 -14.358 -8.086 6.542 1.00 25.04 C ATOM 1603 OE1 GLN A 105 -14.592 -9.288 6.664 1.00 63.24 O ATOM 1604 NE2 GLN A 105 -15.311 -7.170 6.600 1.00 11.41 N ATOM 0 H GLN A 105 -11.311 -5.024 7.126 1.00 60.21 H new ATOM 0 HA GLN A 105 -10.931 -6.600 4.668 1.00 52.31 H new ATOM 0 HB2 GLN A 105 -13.434 -5.527 6.022 1.00 35.51 H new ATOM 0 HB3 GLN A 105 -13.408 -6.477 4.550 1.00 35.51 H new ATOM 0 HG2 GLN A 105 -12.363 -8.363 5.814 1.00 71.54 H new ATOM 0 HG3 GLN A 105 -12.465 -7.412 7.283 1.00 71.54 H new ATOM 0 HE21 GLN A 105 -15.077 -6.183 6.494 1.00 11.41 H new ATOM 0 HE22 GLN A 105 -16.280 -7.451 6.751 1.00 11.41 H new ATOM 1613 N ILE A 106 -11.335 -4.753 3.041 1.00 23.40 N ATOM 1614 CA ILE A 106 -11.430 -3.665 2.085 1.00 3.43 C ATOM 1615 C ILE A 106 -12.606 -3.897 1.147 1.00 11.41 C ATOM 1616 O ILE A 106 -12.979 -5.042 0.886 1.00 72.51 O ATOM 1617 CB ILE A 106 -10.121 -3.505 1.270 1.00 55.30 C ATOM 1618 CG1 ILE A 106 -9.720 -4.811 0.563 1.00 14.14 C ATOM 1619 CG2 ILE A 106 -8.989 -3.038 2.170 1.00 31.33 C ATOM 1620 CD1 ILE A 106 -10.350 -5.004 -0.801 1.00 23.31 C ATOM 0 H ILE A 106 -11.109 -5.656 2.625 1.00 23.40 H new ATOM 0 HA ILE A 106 -11.588 -2.742 2.643 1.00 3.43 H new ATOM 0 HB ILE A 106 -10.309 -2.754 0.503 1.00 55.30 H new ATOM 0 HG12 ILE A 106 -8.636 -4.833 0.455 1.00 14.14 H new ATOM 0 HG13 ILE A 106 -9.994 -5.653 1.199 1.00 14.14 H new ATOM 0 HG21 ILE A 106 -8.077 -2.931 1.582 1.00 31.33 H new ATOM 0 HG22 ILE A 106 -9.250 -2.077 2.614 1.00 31.33 H new ATOM 0 HG23 ILE A 106 -8.827 -3.771 2.961 1.00 31.33 H new ATOM 0 HD11 ILE A 106 -10.013 -5.949 -1.227 1.00 23.31 H new ATOM 0 HD12 ILE A 106 -11.435 -5.017 -0.702 1.00 23.31 H new ATOM 0 HD13 ILE A 106 -10.056 -4.185 -1.457 1.00 23.31 H new ATOM 1632 N SER A 107 -13.201 -2.822 0.666 1.00 64.51 N ATOM 1633 CA SER A 107 -14.296 -2.934 -0.276 1.00 43.25 C ATOM 1634 C SER A 107 -13.746 -3.049 -1.692 1.00 5.45 C ATOM 1635 O SER A 107 -12.912 -2.243 -2.111 1.00 3.41 O ATOM 1636 CB SER A 107 -15.233 -1.728 -0.163 1.00 65.40 C ATOM 1637 OG SER A 107 -16.462 -1.968 -0.833 1.00 41.35 O ATOM 0 H SER A 107 -12.945 -1.865 0.911 1.00 64.51 H new ATOM 0 HA SER A 107 -14.870 -3.831 -0.043 1.00 43.25 H new ATOM 0 HB2 SER A 107 -15.425 -1.511 0.888 1.00 65.40 H new ATOM 0 HB3 SER A 107 -14.750 -0.848 -0.588 1.00 65.40 H new ATOM 0 HG SER A 107 -17.042 -1.183 -0.744 1.00 41.35 H new ATOM 1643 N ILE A 108 -14.198 -4.068 -2.408 1.00 74.21 N ATOM 1644 CA ILE A 108 -13.750 -4.313 -3.772 1.00 73.11 C ATOM 1645 C ILE A 108 -14.192 -3.187 -4.701 1.00 22.54 C ATOM 1646 O ILE A 108 -15.370 -3.072 -5.049 1.00 45.10 O ATOM 1647 CB ILE A 108 -14.276 -5.662 -4.312 1.00 35.03 C ATOM 1648 CG1 ILE A 108 -13.820 -6.815 -3.414 1.00 50.44 C ATOM 1649 CG2 ILE A 108 -13.812 -5.891 -5.746 1.00 72.21 C ATOM 1650 CD1 ILE A 108 -12.313 -6.979 -3.339 1.00 1.15 C ATOM 0 H ILE A 108 -14.880 -4.744 -2.064 1.00 74.21 H new ATOM 0 HA ILE A 108 -12.661 -4.352 -3.746 1.00 73.11 H new ATOM 0 HB ILE A 108 -15.365 -5.627 -4.307 1.00 35.03 H new ATOM 0 HG12 ILE A 108 -14.208 -6.654 -2.408 1.00 50.44 H new ATOM 0 HG13 ILE A 108 -14.259 -7.743 -3.781 1.00 50.44 H new ATOM 0 HG21 ILE A 108 -14.195 -6.847 -6.104 1.00 72.21 H new ATOM 0 HG22 ILE A 108 -14.186 -5.089 -6.382 1.00 72.21 H new ATOM 0 HG23 ILE A 108 -12.723 -5.901 -5.779 1.00 72.21 H new ATOM 0 HD11 ILE A 108 -12.070 -7.816 -2.684 1.00 1.15 H new ATOM 0 HD12 ILE A 108 -11.918 -7.172 -4.336 1.00 1.15 H new ATOM 0 HD13 ILE A 108 -11.867 -6.067 -2.943 1.00 1.15 H new ATOM 1662 N ALA A 109 -13.241 -2.346 -5.074 1.00 20.23 N ATOM 1663 CA ALA A 109 -13.498 -1.251 -5.990 1.00 3.34 C ATOM 1664 C ALA A 109 -12.691 -1.438 -7.268 1.00 0.51 C ATOM 1665 O ALA A 109 -11.616 -2.038 -7.248 1.00 11.34 O ATOM 1666 CB ALA A 109 -13.166 0.084 -5.336 1.00 73.01 C ATOM 0 H ALA A 109 -12.275 -2.404 -4.752 1.00 20.23 H new ATOM 0 HA ALA A 109 -14.558 -1.250 -6.244 1.00 3.34 H new ATOM 0 HB1 ALA A 109 -13.365 0.893 -6.039 1.00 73.01 H new ATOM 0 HB2 ALA A 109 -13.782 0.216 -4.446 1.00 73.01 H new ATOM 0 HB3 ALA A 109 -12.113 0.099 -5.054 1.00 73.01 H new ATOM 1672 N ASP A 110 -13.214 -0.930 -8.371 1.00 12.43 N ATOM 1673 CA ASP A 110 -12.569 -1.084 -9.667 1.00 63.22 C ATOM 1674 C ASP A 110 -11.345 -0.189 -9.784 1.00 22.12 C ATOM 1675 O ASP A 110 -11.283 0.883 -9.181 1.00 72.32 O ATOM 1676 CB ASP A 110 -13.550 -0.761 -10.792 1.00 55.50 C ATOM 1677 CG ASP A 110 -14.692 -1.750 -10.867 1.00 54.14 C ATOM 1678 OD1 ASP A 110 -15.689 -1.571 -10.140 1.00 24.04 O ATOM 1679 OD2 ASP A 110 -14.597 -2.710 -11.660 1.00 42.31 O ATOM 0 H ASP A 110 -14.088 -0.405 -8.396 1.00 12.43 H new ATOM 0 HA ASP A 110 -12.248 -2.122 -9.755 1.00 63.22 H new ATOM 0 HB2 ASP A 110 -13.951 0.242 -10.643 1.00 55.50 H new ATOM 0 HB3 ASP A 110 -13.017 -0.753 -11.743 1.00 55.50 H new ATOM 1684 N SER A 111 -10.369 -0.644 -10.552 1.00 21.43 N ATOM 1685 CA SER A 111 -9.164 0.128 -10.813 1.00 11.41 C ATOM 1686 C SER A 111 -8.632 -0.211 -12.205 1.00 73.35 C ATOM 1687 O SER A 111 -8.734 0.597 -13.129 1.00 32.01 O ATOM 1688 CB SER A 111 -8.103 -0.154 -9.743 1.00 12.24 C ATOM 1689 OG SER A 111 -8.597 0.150 -8.448 1.00 61.51 O ATOM 0 H SER A 111 -10.388 -1.555 -11.011 1.00 21.43 H new ATOM 0 HA SER A 111 -9.404 1.190 -10.775 1.00 11.41 H new ATOM 0 HB2 SER A 111 -7.806 -1.202 -9.787 1.00 12.24 H new ATOM 0 HB3 SER A 111 -7.211 0.439 -9.945 1.00 12.24 H new ATOM 0 HG SER A 111 -8.018 -0.261 -7.772 1.00 61.51 H new ATOM 1695 N ASP A 112 -8.093 -1.422 -12.346 1.00 75.45 N ATOM 1696 CA ASP A 112 -7.623 -1.929 -13.633 1.00 31.33 C ATOM 1697 C ASP A 112 -7.078 -3.335 -13.470 1.00 0.44 C ATOM 1698 O ASP A 112 -6.014 -3.537 -12.885 1.00 62.32 O ATOM 1699 CB ASP A 112 -6.541 -1.033 -14.244 1.00 44.11 C ATOM 1700 CG ASP A 112 -6.035 -1.564 -15.575 1.00 61.40 C ATOM 1701 OD1 ASP A 112 -6.829 -1.621 -16.541 1.00 43.12 O ATOM 1702 OD2 ASP A 112 -4.845 -1.929 -15.668 1.00 21.14 O ATOM 0 H ASP A 112 -7.971 -2.077 -11.573 1.00 75.45 H new ATOM 0 HA ASP A 112 -8.477 -1.935 -14.310 1.00 31.33 H new ATOM 0 HB2 ASP A 112 -6.941 -0.029 -14.385 1.00 44.11 H new ATOM 0 HB3 ASP A 112 -5.706 -0.949 -13.548 1.00 44.11 H new ATOM 1707 N VAL A 113 -7.827 -4.309 -13.957 1.00 34.22 N ATOM 1708 CA VAL A 113 -7.363 -5.684 -13.951 1.00 74.42 C ATOM 1709 C VAL A 113 -6.507 -5.927 -15.182 1.00 63.01 C ATOM 1710 O VAL A 113 -6.985 -5.843 -16.312 1.00 43.04 O ATOM 1711 CB VAL A 113 -8.527 -6.690 -13.930 1.00 20.24 C ATOM 1712 CG1 VAL A 113 -8.012 -8.102 -13.691 1.00 43.05 C ATOM 1713 CG2 VAL A 113 -9.552 -6.307 -12.874 1.00 15.11 C ATOM 0 H VAL A 113 -8.754 -4.174 -14.360 1.00 34.22 H new ATOM 0 HA VAL A 113 -6.781 -5.836 -13.042 1.00 74.42 H new ATOM 0 HB VAL A 113 -9.016 -6.664 -14.904 1.00 20.24 H new ATOM 0 HG11 VAL A 113 -8.851 -8.798 -13.680 1.00 43.05 H new ATOM 0 HG12 VAL A 113 -7.322 -8.378 -14.489 1.00 43.05 H new ATOM 0 HG13 VAL A 113 -7.494 -8.143 -12.733 1.00 43.05 H new ATOM 0 HG21 VAL A 113 -10.366 -7.032 -12.877 1.00 15.11 H new ATOM 0 HG22 VAL A 113 -9.078 -6.298 -11.893 1.00 15.11 H new ATOM 0 HG23 VAL A 113 -9.948 -5.316 -13.094 1.00 15.11 H new ATOM 1723 N ALA A 114 -5.246 -6.221 -14.954 1.00 64.54 N ATOM 1724 CA ALA A 114 -4.281 -6.363 -16.034 1.00 31.24 C ATOM 1725 C ALA A 114 -3.667 -7.752 -16.022 1.00 32.23 C ATOM 1726 O ALA A 114 -4.093 -8.614 -15.250 1.00 35.43 O ATOM 1727 CB ALA A 114 -3.195 -5.302 -15.901 1.00 61.24 C ATOM 0 H ALA A 114 -4.857 -6.369 -14.023 1.00 64.54 H new ATOM 0 HA ALA A 114 -4.796 -6.226 -16.985 1.00 31.24 H new ATOM 0 HB1 ALA A 114 -2.476 -5.414 -16.712 1.00 61.24 H new ATOM 0 HB2 ALA A 114 -3.646 -4.311 -15.950 1.00 61.24 H new ATOM 0 HB3 ALA A 114 -2.685 -5.421 -14.945 1.00 61.24 H new ATOM 1733 N VAL A 115 -2.683 -7.973 -16.887 1.00 13.11 N ATOM 1734 CA VAL A 115 -1.913 -9.204 -16.852 1.00 53.45 C ATOM 1735 C VAL A 115 -1.097 -9.253 -15.567 1.00 20.44 C ATOM 1736 O VAL A 115 -0.118 -8.525 -15.390 1.00 5.20 O ATOM 1737 CB VAL A 115 -1.005 -9.364 -18.094 1.00 44.25 C ATOM 1738 CG1 VAL A 115 -0.187 -8.105 -18.354 1.00 1.34 C ATOM 1739 CG2 VAL A 115 -0.098 -10.578 -17.948 1.00 61.43 C ATOM 0 H VAL A 115 -2.403 -7.317 -17.616 1.00 13.11 H new ATOM 0 HA VAL A 115 -2.610 -10.042 -16.872 1.00 53.45 H new ATOM 0 HB VAL A 115 -1.652 -9.521 -18.957 1.00 44.25 H new ATOM 0 HG11 VAL A 115 0.439 -8.253 -19.234 1.00 1.34 H new ATOM 0 HG12 VAL A 115 -0.859 -7.263 -18.524 1.00 1.34 H new ATOM 0 HG13 VAL A 115 0.444 -7.896 -17.490 1.00 1.34 H new ATOM 0 HG21 VAL A 115 0.531 -10.671 -18.833 1.00 61.43 H new ATOM 0 HG22 VAL A 115 0.531 -10.458 -17.066 1.00 61.43 H new ATOM 0 HG23 VAL A 115 -0.706 -11.476 -17.840 1.00 61.43 H new ATOM 1749 N ASP A 116 -1.536 -10.095 -14.660 1.00 2.12 N ATOM 1750 CA ASP A 116 -0.996 -10.115 -13.311 1.00 20.34 C ATOM 1751 C ASP A 116 0.047 -11.203 -13.141 1.00 12.20 C ATOM 1752 O ASP A 116 0.107 -12.160 -13.914 1.00 32.32 O ATOM 1753 CB ASP A 116 -2.117 -10.321 -12.287 1.00 3.13 C ATOM 1754 CG ASP A 116 -2.762 -11.690 -12.398 1.00 22.23 C ATOM 1755 OD1 ASP A 116 -3.645 -11.868 -13.264 1.00 44.44 O ATOM 1756 OD2 ASP A 116 -2.388 -12.597 -11.624 1.00 63.35 O ATOM 0 H ASP A 116 -2.271 -10.782 -14.829 1.00 2.12 H new ATOM 0 HA ASP A 116 -0.518 -9.150 -13.141 1.00 20.34 H new ATOM 0 HB2 ASP A 116 -1.715 -10.193 -11.282 1.00 3.13 H new ATOM 0 HB3 ASP A 116 -2.877 -9.552 -12.426 1.00 3.13 H new ATOM 1761 N ASN A 117 0.879 -11.023 -12.133 1.00 23.52 N ATOM 1762 CA ASN A 117 1.824 -12.039 -11.713 1.00 51.34 C ATOM 1763 C ASN A 117 1.678 -12.252 -10.213 1.00 41.02 C ATOM 1764 O ASN A 117 2.087 -11.417 -9.411 1.00 71.25 O ATOM 1765 CB ASN A 117 3.270 -11.666 -12.094 1.00 60.15 C ATOM 1766 CG ASN A 117 3.672 -10.250 -11.694 1.00 74.43 C ATOM 1767 OD1 ASN A 117 3.463 -9.299 -12.449 1.00 24.12 O ATOM 1768 ND2 ASN A 117 4.268 -10.101 -10.521 1.00 50.31 N ATOM 0 H ASN A 117 0.918 -10.166 -11.581 1.00 23.52 H new ATOM 0 HA ASN A 117 1.603 -12.971 -12.234 1.00 51.34 H new ATOM 0 HB2 ASN A 117 3.953 -12.373 -11.623 1.00 60.15 H new ATOM 0 HB3 ASN A 117 3.391 -11.776 -13.172 1.00 60.15 H new ATOM 0 HD21 ASN A 117 4.571 -9.176 -10.217 1.00 50.31 H new ATOM 0 HD22 ASN A 117 4.425 -10.912 -9.922 1.00 50.31 H new ATOM 1775 N SER A 118 1.048 -13.353 -9.848 1.00 35.41 N ATOM 1776 CA SER A 118 0.733 -13.633 -8.456 1.00 25.31 C ATOM 1777 C SER A 118 1.999 -13.805 -7.619 1.00 35.24 C ATOM 1778 O SER A 118 2.168 -13.128 -6.604 1.00 43.20 O ATOM 1779 CB SER A 118 -0.152 -14.879 -8.362 1.00 71.21 C ATOM 1780 OG SER A 118 0.390 -15.950 -9.119 1.00 1.52 O ATOM 0 H SER A 118 0.741 -14.074 -10.501 1.00 35.41 H new ATOM 0 HA SER A 118 0.189 -12.779 -8.052 1.00 25.31 H new ATOM 0 HB2 SER A 118 -0.251 -15.180 -7.319 1.00 71.21 H new ATOM 0 HB3 SER A 118 -1.154 -14.645 -8.723 1.00 71.21 H new ATOM 0 HG SER A 118 -0.193 -16.734 -9.041 1.00 1.52 H new ATOM 1786 N GLN A 119 2.884 -14.692 -8.072 1.00 72.43 N ATOM 1787 CA GLN A 119 4.107 -15.034 -7.347 1.00 43.24 C ATOM 1788 C GLN A 119 3.792 -15.716 -6.018 1.00 53.03 C ATOM 1789 O GLN A 119 3.319 -15.080 -5.074 1.00 11.54 O ATOM 1790 CB GLN A 119 4.981 -13.800 -7.097 1.00 31.32 C ATOM 1791 CG GLN A 119 6.228 -13.746 -7.960 1.00 61.05 C ATOM 1792 CD GLN A 119 7.214 -12.705 -7.471 1.00 75.21 C ATOM 1793 OE1 GLN A 119 7.182 -11.549 -7.891 1.00 2.21 O ATOM 1794 NE2 GLN A 119 8.088 -13.109 -6.562 1.00 60.35 N ATOM 0 H GLN A 119 2.773 -15.194 -8.953 1.00 72.43 H new ATOM 0 HA GLN A 119 4.661 -15.729 -7.978 1.00 43.24 H new ATOM 0 HB2 GLN A 119 4.387 -12.904 -7.277 1.00 31.32 H new ATOM 0 HB3 GLN A 119 5.276 -13.782 -6.048 1.00 31.32 H new ATOM 0 HG2 GLN A 119 6.708 -14.725 -7.965 1.00 61.05 H new ATOM 0 HG3 GLN A 119 5.947 -13.523 -8.989 1.00 61.05 H new ATOM 0 HE21 GLN A 119 8.080 -14.077 -6.241 1.00 60.35 H new ATOM 0 HE22 GLN A 119 8.770 -12.452 -6.182 1.00 60.35 H new ATOM 1803 N PRO A 120 4.046 -17.028 -5.929 1.00 21.13 N ATOM 1804 CA PRO A 120 3.872 -17.775 -4.686 1.00 34.21 C ATOM 1805 C PRO A 120 4.808 -17.251 -3.606 1.00 3.41 C ATOM 1806 O PRO A 120 6.019 -17.488 -3.651 1.00 14.15 O ATOM 1807 CB PRO A 120 4.234 -19.217 -5.064 1.00 13.33 C ATOM 1808 CG PRO A 120 4.150 -19.260 -6.552 1.00 33.35 C ATOM 1809 CD PRO A 120 4.524 -17.885 -7.023 1.00 2.44 C ATOM 0 HA PRO A 120 2.863 -17.687 -4.283 1.00 34.21 H new ATOM 0 HB2 PRO A 120 5.235 -19.476 -4.718 1.00 13.33 H new ATOM 0 HB3 PRO A 120 3.545 -19.929 -4.609 1.00 13.33 H new ATOM 0 HG2 PRO A 120 4.827 -20.011 -6.960 1.00 33.35 H new ATOM 0 HG3 PRO A 120 3.145 -19.525 -6.879 1.00 33.35 H new ATOM 0 HD2 PRO A 120 5.599 -17.787 -7.174 1.00 2.44 H new ATOM 0 HD3 PRO A 120 4.045 -17.637 -7.970 1.00 2.44 H new ATOM 1817 N LEU A 121 4.254 -16.513 -2.660 1.00 15.45 N ATOM 1818 CA LEU A 121 5.049 -15.897 -1.616 1.00 42.02 C ATOM 1819 C LEU A 121 5.281 -16.876 -0.477 1.00 20.34 C ATOM 1820 O LEU A 121 4.360 -17.573 -0.050 1.00 25.33 O ATOM 1821 CB LEU A 121 4.356 -14.637 -1.088 1.00 54.41 C ATOM 1822 CG LEU A 121 4.121 -13.537 -2.126 1.00 2.41 C ATOM 1823 CD1 LEU A 121 3.387 -12.365 -1.495 1.00 15.35 C ATOM 1824 CD2 LEU A 121 5.441 -13.077 -2.723 1.00 51.53 C ATOM 0 H LEU A 121 3.253 -16.326 -2.595 1.00 15.45 H new ATOM 0 HA LEU A 121 6.013 -15.617 -2.041 1.00 42.02 H new ATOM 0 HB2 LEU A 121 3.395 -14.923 -0.661 1.00 54.41 H new ATOM 0 HB3 LEU A 121 4.956 -14.226 -0.276 1.00 54.41 H new ATOM 0 HG LEU A 121 3.504 -13.943 -2.928 1.00 2.41 H new ATOM 0 HD11 LEU A 121 3.227 -11.590 -2.245 1.00 15.35 H new ATOM 0 HD12 LEU A 121 2.425 -12.703 -1.111 1.00 15.35 H new ATOM 0 HD13 LEU A 121 3.983 -11.961 -0.677 1.00 15.35 H new ATOM 0 HD21 LEU A 121 5.255 -12.295 -3.459 1.00 51.53 H new ATOM 0 HD22 LEU A 121 6.081 -12.686 -1.932 1.00 51.53 H new ATOM 0 HD23 LEU A 121 5.935 -13.920 -3.207 1.00 51.53 H new ATOM 1836 N PRO A 122 6.528 -16.967 0.005 1.00 13.14 N ATOM 1837 CA PRO A 122 6.860 -17.782 1.170 1.00 54.55 C ATOM 1838 C PRO A 122 6.192 -17.240 2.426 1.00 31.21 C ATOM 1839 O PRO A 122 6.597 -16.202 2.959 1.00 61.31 O ATOM 1840 CB PRO A 122 8.385 -17.670 1.278 1.00 1.04 C ATOM 1841 CG PRO A 122 8.739 -16.433 0.525 1.00 24.42 C ATOM 1842 CD PRO A 122 7.709 -16.297 -0.560 1.00 71.40 C ATOM 0 HA PRO A 122 6.517 -18.812 1.068 1.00 54.55 H new ATOM 0 HB2 PRO A 122 8.702 -17.602 2.319 1.00 1.04 H new ATOM 0 HB3 PRO A 122 8.876 -18.545 0.851 1.00 1.04 H new ATOM 0 HG2 PRO A 122 8.732 -15.562 1.181 1.00 24.42 H new ATOM 0 HG3 PRO A 122 9.742 -16.507 0.104 1.00 24.42 H new ATOM 0 HD2 PRO A 122 7.505 -15.252 -0.792 1.00 71.40 H new ATOM 0 HD3 PRO A 122 8.035 -16.771 -1.486 1.00 71.40 H new ATOM 1850 N LEU A 123 5.149 -17.920 2.873 1.00 42.24 N ATOM 1851 CA LEU A 123 4.418 -17.493 4.052 1.00 32.44 C ATOM 1852 C LEU A 123 5.270 -17.652 5.304 1.00 30.02 C ATOM 1853 O LEU A 123 5.957 -18.660 5.485 1.00 31.11 O ATOM 1854 CB LEU A 123 3.082 -18.247 4.168 1.00 23.45 C ATOM 1855 CG LEU A 123 3.117 -19.749 3.842 1.00 63.12 C ATOM 1856 CD1 LEU A 123 3.639 -20.566 5.014 1.00 43.41 C ATOM 1857 CD2 LEU A 123 1.736 -20.227 3.424 1.00 64.12 C ATOM 0 H LEU A 123 4.791 -18.769 2.437 1.00 42.24 H new ATOM 0 HA LEU A 123 4.186 -16.433 3.950 1.00 32.44 H new ATOM 0 HB2 LEU A 123 2.708 -18.126 5.185 1.00 23.45 H new ATOM 0 HB3 LEU A 123 2.361 -17.770 3.504 1.00 23.45 H new ATOM 0 HG LEU A 123 3.807 -19.896 3.011 1.00 63.12 H new ATOM 0 HD11 LEU A 123 3.649 -21.622 4.745 1.00 43.41 H new ATOM 0 HD12 LEU A 123 4.651 -20.244 5.260 1.00 43.41 H new ATOM 0 HD13 LEU A 123 2.991 -20.417 5.878 1.00 43.41 H new ATOM 0 HD21 LEU A 123 1.773 -21.292 3.196 1.00 64.12 H new ATOM 0 HD22 LEU A 123 1.030 -20.055 4.236 1.00 64.12 H new ATOM 0 HD23 LEU A 123 1.413 -19.677 2.540 1.00 64.12 H new ATOM 1869 N GLU A 124 5.252 -16.628 6.142 1.00 3.34 N ATOM 1870 CA GLU A 124 6.017 -16.637 7.375 1.00 70.14 C ATOM 1871 C GLU A 124 5.148 -17.139 8.521 1.00 23.05 C ATOM 1872 O GLU A 124 4.038 -17.624 8.298 1.00 24.15 O ATOM 1873 CB GLU A 124 6.558 -15.237 7.678 1.00 74.33 C ATOM 1874 CG GLU A 124 7.563 -14.743 6.646 1.00 24.15 C ATOM 1875 CD GLU A 124 8.226 -13.442 7.046 1.00 45.12 C ATOM 1876 OE1 GLU A 124 9.115 -13.470 7.922 1.00 74.23 O ATOM 1877 OE2 GLU A 124 7.865 -12.386 6.485 1.00 4.33 O ATOM 0 H GLU A 124 4.712 -15.776 5.988 1.00 3.34 H new ATOM 0 HA GLU A 124 6.866 -17.311 7.260 1.00 70.14 H new ATOM 0 HB2 GLU A 124 5.725 -14.536 7.728 1.00 74.33 H new ATOM 0 HB3 GLU A 124 7.030 -15.242 8.661 1.00 74.33 H new ATOM 0 HG2 GLU A 124 8.329 -15.505 6.498 1.00 24.15 H new ATOM 0 HG3 GLU A 124 7.058 -14.609 5.689 1.00 24.15 H new ATOM 1884 N HIS A 125 5.651 -17.028 9.740 1.00 52.32 N ATOM 1885 CA HIS A 125 4.929 -17.535 10.898 1.00 32.31 C ATOM 1886 C HIS A 125 4.510 -16.399 11.822 1.00 72.02 C ATOM 1887 O HIS A 125 5.337 -15.591 12.246 1.00 12.33 O ATOM 1888 CB HIS A 125 5.778 -18.547 11.676 1.00 13.24 C ATOM 1889 CG HIS A 125 6.135 -19.773 10.893 1.00 1.30 C ATOM 1890 ND1 HIS A 125 5.281 -20.841 10.728 1.00 12.14 N ATOM 1891 CD2 HIS A 125 7.268 -20.096 10.226 1.00 33.51 C ATOM 1892 CE1 HIS A 125 5.871 -21.765 9.995 1.00 60.25 C ATOM 1893 NE2 HIS A 125 7.078 -21.339 9.677 1.00 1.52 N ATOM 0 H HIS A 125 6.549 -16.595 9.954 1.00 52.32 H new ATOM 0 HA HIS A 125 4.034 -18.036 10.530 1.00 32.31 H new ATOM 0 HB2 HIS A 125 6.695 -18.059 12.005 1.00 13.24 H new ATOM 0 HB3 HIS A 125 5.236 -18.846 12.573 1.00 13.24 H new ATOM 0 HD2 HIS A 125 8.157 -19.488 10.142 1.00 33.51 H new ATOM 0 HE1 HIS A 125 5.439 -22.711 9.704 1.00 60.25 H new ATOM 0 HE2 HIS A 125 7.759 -21.850 9.115 1.00 1.52 H new ATOM 1902 N HIS A 126 3.223 -16.343 12.126 1.00 32.21 N ATOM 1903 CA HIS A 126 2.702 -15.381 13.085 1.00 22.04 C ATOM 1904 C HIS A 126 2.362 -16.111 14.377 1.00 63.24 C ATOM 1905 O HIS A 126 1.359 -16.821 14.447 1.00 11.42 O ATOM 1906 CB HIS A 126 1.457 -14.669 12.529 1.00 33.50 C ATOM 1907 CG HIS A 126 0.906 -13.597 13.434 1.00 74.24 C ATOM 1908 ND1 HIS A 126 0.860 -12.264 13.088 1.00 14.34 N ATOM 1909 CD2 HIS A 126 0.368 -13.672 14.676 1.00 13.14 C ATOM 1910 CE1 HIS A 126 0.323 -11.572 14.075 1.00 50.12 C ATOM 1911 NE2 HIS A 126 0.016 -12.402 15.052 1.00 62.43 N ATOM 0 H HIS A 126 2.516 -16.956 11.720 1.00 32.21 H new ATOM 0 HA HIS A 126 3.459 -14.621 13.278 1.00 22.04 H new ATOM 0 HB2 HIS A 126 1.706 -14.224 11.566 1.00 33.50 H new ATOM 0 HB3 HIS A 126 0.679 -15.410 12.346 1.00 33.50 H new ATOM 0 HD1 HIS A 126 1.190 -11.873 12.206 1.00 14.34 H new ATOM 0 HD2 HIS A 126 0.240 -14.570 15.263 1.00 13.14 H new ATOM 0 HE1 HIS A 126 0.162 -10.504 14.081 1.00 50.12 H new ATOM 1920 N HIS A 127 3.205 -15.949 15.388 1.00 70.44 N ATOM 1921 CA HIS A 127 3.003 -16.631 16.664 1.00 72.13 C ATOM 1922 C HIS A 127 1.721 -16.136 17.330 1.00 11.53 C ATOM 1923 O HIS A 127 1.433 -14.939 17.316 1.00 11.42 O ATOM 1924 CB HIS A 127 4.216 -16.431 17.594 1.00 42.43 C ATOM 1925 CG HIS A 127 4.356 -15.046 18.161 1.00 13.02 C ATOM 1926 ND1 HIS A 127 4.324 -14.781 19.514 1.00 12.33 N ATOM 1927 CD2 HIS A 127 4.536 -13.849 17.553 1.00 34.42 C ATOM 1928 CE1 HIS A 127 4.473 -13.486 19.712 1.00 4.41 C ATOM 1929 NE2 HIS A 127 4.601 -12.899 18.539 1.00 35.45 N ATOM 0 H HIS A 127 4.033 -15.354 15.352 1.00 70.44 H new ATOM 0 HA HIS A 127 2.904 -17.699 16.471 1.00 72.13 H new ATOM 0 HB2 HIS A 127 4.144 -17.140 18.419 1.00 42.43 H new ATOM 0 HB3 HIS A 127 5.123 -16.675 17.042 1.00 42.43 H new ATOM 0 HD2 HIS A 127 4.614 -13.676 16.490 1.00 34.42 H new ATOM 0 HE1 HIS A 127 4.488 -12.991 20.672 1.00 4.41 H new ATOM 0 HE2 HIS A 127 4.728 -11.898 18.389 1.00 35.45 H new ATOM 1938 N HIS A 128 0.948 -17.055 17.895 1.00 13.44 N ATOM 1939 CA HIS A 128 -0.317 -16.693 18.524 1.00 11.14 C ATOM 1940 C HIS A 128 -0.061 -15.831 19.757 1.00 11.13 C ATOM 1941 O HIS A 128 0.792 -16.152 20.586 1.00 64.10 O ATOM 1942 CB HIS A 128 -1.160 -17.938 18.867 1.00 0.33 C ATOM 1943 CG HIS A 128 -0.523 -18.914 19.817 1.00 44.12 C ATOM 1944 ND1 HIS A 128 0.070 -20.089 19.406 1.00 35.45 N ATOM 1945 CD2 HIS A 128 -0.421 -18.901 21.167 1.00 23.21 C ATOM 1946 CE1 HIS A 128 0.505 -20.751 20.458 1.00 12.42 C ATOM 1947 NE2 HIS A 128 0.220 -20.056 21.541 1.00 3.50 N ATOM 0 H HIS A 128 1.172 -18.049 17.931 1.00 13.44 H new ATOM 0 HA HIS A 128 -0.899 -16.109 17.811 1.00 11.14 H new ATOM 0 HB2 HIS A 128 -2.106 -17.607 19.295 1.00 0.33 H new ATOM 0 HB3 HIS A 128 -1.395 -18.462 17.940 1.00 0.33 H new ATOM 0 HD2 HIS A 128 -0.778 -18.125 21.828 1.00 23.21 H new ATOM 0 HE1 HIS A 128 1.011 -21.705 20.437 1.00 12.42 H new ATOM 0 HE2 HIS A 128 0.439 -20.331 22.498 1.00 3.50 H new ATOM 1956 N HIS A 129 -0.784 -14.725 19.857 1.00 50.03 N ATOM 1957 CA HIS A 129 -0.552 -13.757 20.918 1.00 10.51 C ATOM 1958 C HIS A 129 -1.003 -14.306 22.265 1.00 70.24 C ATOM 1959 O HIS A 129 -2.148 -14.730 22.425 1.00 41.13 O ATOM 1960 CB HIS A 129 -1.276 -12.443 20.615 1.00 11.54 C ATOM 1961 CG HIS A 129 -0.837 -11.300 21.485 1.00 30.22 C ATOM 1962 ND1 HIS A 129 0.245 -10.504 21.181 1.00 55.45 N ATOM 1963 CD2 HIS A 129 -1.331 -10.825 22.655 1.00 31.41 C ATOM 1964 CE1 HIS A 129 0.400 -9.594 22.123 1.00 42.31 C ATOM 1965 NE2 HIS A 129 -0.542 -9.764 23.029 1.00 73.52 N ATOM 0 H HIS A 129 -1.537 -14.476 19.215 1.00 50.03 H new ATOM 0 HA HIS A 129 0.520 -13.564 20.967 1.00 10.51 H new ATOM 0 HB2 HIS A 129 -1.110 -12.179 19.571 1.00 11.54 H new ATOM 0 HB3 HIS A 129 -2.349 -12.592 20.739 1.00 11.54 H new ATOM 0 HD2 HIS A 129 -2.185 -11.209 23.193 1.00 31.41 H new ATOM 0 HE1 HIS A 129 1.170 -8.837 22.148 1.00 42.31 H new ATOM 0 HE2 HIS A 129 -0.665 -9.200 23.870 1.00 73.52 H new ATOM 1974 N HIS A 130 -0.090 -14.298 23.222 1.00 4.41 N ATOM 1975 CA HIS A 130 -0.382 -14.759 24.572 1.00 43.21 C ATOM 1976 C HIS A 130 -1.015 -13.636 25.377 1.00 41.52 C ATOM 1977 O HIS A 130 -0.277 -12.723 25.794 1.00 36.62 O ATOM 1978 CB HIS A 130 0.891 -15.244 25.271 1.00 32.34 C ATOM 1979 CG HIS A 130 1.421 -16.545 24.749 1.00 44.23 C ATOM 1980 ND1 HIS A 130 1.386 -17.715 25.474 1.00 11.35 N ATOM 1981 CD2 HIS A 130 2.008 -16.854 23.569 1.00 62.42 C ATOM 1982 CE1 HIS A 130 1.927 -18.688 24.765 1.00 12.13 C ATOM 1983 NE2 HIS A 130 2.310 -18.192 23.605 1.00 63.44 N ATOM 1984 OXT HIS A 130 -2.245 -13.664 25.583 1.00 36.62 O ATOM 0 H HIS A 130 0.868 -13.975 23.088 1.00 4.41 H new ATOM 0 HA HIS A 130 -1.078 -15.595 24.505 1.00 43.21 H new ATOM 0 HB2 HIS A 130 1.663 -14.482 25.166 1.00 32.34 H new ATOM 0 HB3 HIS A 130 0.689 -15.348 26.337 1.00 32.34 H new ATOM 0 HD2 HIS A 130 2.202 -16.175 22.752 1.00 62.42 H new ATOM 0 HE1 HIS A 130 2.037 -19.715 25.081 1.00 12.13 H new ATOM 0 HE2 HIS A 130 2.759 -18.718 22.855 1.00 63.44 H new TER 1993 HIS A 130