USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 955 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 92 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0687) USER MOD Single : A 2 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -140:sc= -0.336 USER MOD Single : A 31 THR OG1 : rot 157:sc= 0.255 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -2.08 K(o=-2.1,f=-6.9!) USER MOD Single : A 37 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= -0.189 (180deg=-0.886) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -165:sc= 0 (180deg=-0.358) USER MOD Single : A 60 MET CE :methyl -155:sc= -1.95 (180deg=-3.07!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.61 K(o=-1.6,f=-3.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= -0.0682 (180deg=-0.0682) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -1.56 K(o=-1.6,f=-2.6) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -139:sc= -2.45 (180deg=-6.34!) USER MOD Single : A 82 THR OG1 : rot -130:sc= 0.117 USER MOD Single : A 84 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.0017) USER MOD Single : A 85 SER OG : rot 110:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.072 USER MOD Single : A 95 GLN : amide:sc= -0.0222 K(o=-0.022,f=-1.4!) USER MOD Single : A 101 TYR OH : rot -118:sc= 0.0147 USER MOD Single : A 104 LYS NZ :NH3+ 153:sc= 0.0187 (180deg=0) USER MOD Single : A 120 SER OG : rot -86:sc= 1.03 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot 134:sc= 1.25 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.531 0.417 -3.482 1.00 71.30 N ATOM 2 CA MET A 1 0.912 0.453 -3.277 1.00 3.03 C ATOM 3 C MET A 1 1.375 1.861 -2.916 1.00 52.21 C ATOM 4 O MET A 1 2.205 2.042 -2.026 1.00 21.31 O ATOM 5 CB MET A 1 1.640 -0.029 -4.533 1.00 30.30 C ATOM 6 CG MET A 1 2.267 -1.406 -4.381 1.00 51.24 C ATOM 7 SD MET A 1 1.044 -2.731 -4.388 1.00 12.44 S ATOM 8 CE MET A 1 1.626 -3.736 -3.024 1.00 45.34 C ATOM 0 H1 MET A 1 -0.844 -0.570 -3.575 1.00 71.30 H new ATOM 0 H2 MET A 1 -1.008 0.856 -2.669 1.00 71.30 H new ATOM 0 H3 MET A 1 -0.772 0.940 -4.348 1.00 71.30 H new ATOM 0 HA MET A 1 1.152 -0.213 -2.449 1.00 3.03 H new ATOM 0 HB2 MET A 1 0.937 -0.049 -5.366 1.00 30.30 H new ATOM 0 HB3 MET A 1 2.418 0.689 -4.790 1.00 30.30 H new ATOM 0 HG2 MET A 1 2.978 -1.569 -5.191 1.00 51.24 H new ATOM 0 HG3 MET A 1 2.832 -1.443 -3.449 1.00 51.24 H new ATOM 0 HE1 MET A 1 0.970 -4.598 -2.902 1.00 45.34 H new ATOM 0 HE2 MET A 1 2.640 -4.078 -3.231 1.00 45.34 H new ATOM 0 HE3 MET A 1 1.622 -3.144 -2.109 1.00 45.34 H new ATOM 18 N GLN A 2 0.832 2.854 -3.613 1.00 42.22 N ATOM 19 CA GLN A 2 1.191 4.246 -3.366 1.00 21.31 C ATOM 20 C GLN A 2 0.010 5.018 -2.788 1.00 53.24 C ATOM 21 O GLN A 2 -0.580 5.864 -3.461 1.00 42.20 O ATOM 22 CB GLN A 2 1.666 4.909 -4.660 1.00 3.45 C ATOM 23 CG GLN A 2 0.780 4.611 -5.858 1.00 15.33 C ATOM 24 CD GLN A 2 0.806 5.719 -6.893 1.00 35.42 C ATOM 25 OE1 GLN A 2 -0.239 6.155 -7.378 1.00 4.42 O ATOM 26 NE2 GLN A 2 2.002 6.179 -7.237 1.00 43.42 N ATOM 0 H GLN A 2 0.142 2.721 -4.353 1.00 42.22 H new ATOM 0 HA GLN A 2 2.003 4.263 -2.639 1.00 21.31 H new ATOM 0 HB2 GLN A 2 1.710 5.988 -4.511 1.00 3.45 H new ATOM 0 HB3 GLN A 2 2.681 4.576 -4.878 1.00 3.45 H new ATOM 0 HG2 GLN A 2 1.103 3.679 -6.321 1.00 15.33 H new ATOM 0 HG3 GLN A 2 -0.245 4.460 -5.519 1.00 15.33 H new ATOM 0 HE21 GLN A 2 2.841 5.788 -6.809 1.00 43.42 H new ATOM 0 HE22 GLN A 2 2.082 6.924 -7.929 1.00 43.42 H new ATOM 35 N ARG A 3 -0.331 4.721 -1.539 1.00 10.24 N ATOM 36 CA ARG A 3 -1.443 5.387 -0.871 1.00 73.12 C ATOM 37 C ARG A 3 -1.539 4.954 0.589 1.00 42.11 C ATOM 38 O ARG A 3 -0.890 3.996 1.007 1.00 43.21 O ATOM 39 CB ARG A 3 -2.757 5.079 -1.593 1.00 23.15 C ATOM 40 CG ARG A 3 -3.840 6.118 -1.355 1.00 33.13 C ATOM 41 CD ARG A 3 -4.873 5.627 -0.352 1.00 24.30 C ATOM 42 NE ARG A 3 -6.151 5.320 -0.988 1.00 62.22 N ATOM 43 CZ ARG A 3 -7.185 4.793 -0.343 1.00 33.23 C ATOM 44 NH1 ARG A 3 -7.093 4.516 0.951 1.00 63.04 N ATOM 45 NH2 ARG A 3 -8.316 4.542 -0.991 1.00 4.00 N ATOM 0 H ARG A 3 0.147 4.023 -0.969 1.00 10.24 H new ATOM 0 HA ARG A 3 -1.262 6.461 -0.902 1.00 73.12 H new ATOM 0 HB2 ARG A 3 -2.565 5.005 -2.663 1.00 23.15 H new ATOM 0 HB3 ARG A 3 -3.122 4.105 -1.267 1.00 23.15 H new ATOM 0 HG2 ARG A 3 -3.387 7.040 -0.991 1.00 33.13 H new ATOM 0 HG3 ARG A 3 -4.332 6.355 -2.298 1.00 33.13 H new ATOM 0 HD2 ARG A 3 -4.495 4.737 0.151 1.00 24.30 H new ATOM 0 HD3 ARG A 3 -5.023 6.387 0.415 1.00 24.30 H new ATOM 0 HE ARG A 3 -6.255 5.521 -1.982 1.00 62.22 H new ATOM 0 HH11 ARG A 3 -6.226 4.708 1.453 1.00 63.04 H new ATOM 0 HH12 ARG A 3 -7.889 4.111 1.444 1.00 63.04 H new ATOM 0 HH21 ARG A 3 -8.392 4.754 -1.986 1.00 4.00 H new ATOM 0 HH22 ARG A 3 -9.109 4.137 -0.494 1.00 4.00 H new ATOM 59 N GLY A 4 -2.353 5.668 1.361 1.00 72.15 N ATOM 60 CA GLY A 4 -2.518 5.343 2.765 1.00 33.12 C ATOM 61 C GLY A 4 -3.089 6.498 3.564 1.00 24.13 C ATOM 62 O GLY A 4 -3.016 7.651 3.139 1.00 2.20 O ATOM 0 H GLY A 4 -2.901 6.466 1.039 1.00 72.15 H new ATOM 0 HA2 GLY A 4 -3.176 4.479 2.860 1.00 33.12 H new ATOM 0 HA3 GLY A 4 -1.553 5.057 3.184 1.00 33.12 H new ATOM 66 N ILE A 5 -3.659 6.188 4.724 1.00 42.41 N ATOM 67 CA ILE A 5 -4.244 7.210 5.583 1.00 32.23 C ATOM 68 C ILE A 5 -3.165 8.092 6.202 1.00 33.35 C ATOM 69 O ILE A 5 -2.192 7.595 6.770 1.00 51.13 O ATOM 70 CB ILE A 5 -5.087 6.582 6.709 1.00 13.53 C ATOM 71 CG1 ILE A 5 -6.378 5.991 6.140 1.00 33.51 C ATOM 72 CG2 ILE A 5 -5.400 7.620 7.778 1.00 64.44 C ATOM 73 CD1 ILE A 5 -7.276 5.377 7.191 1.00 33.42 C ATOM 0 H ILE A 5 -3.728 5.238 5.090 1.00 42.41 H new ATOM 0 HA ILE A 5 -4.891 7.821 4.953 1.00 32.23 H new ATOM 0 HB ILE A 5 -4.512 5.777 7.168 1.00 13.53 H new ATOM 0 HG12 ILE A 5 -6.927 6.774 5.617 1.00 33.51 H new ATOM 0 HG13 ILE A 5 -6.125 5.231 5.401 1.00 33.51 H new ATOM 0 HG21 ILE A 5 -5.996 7.161 8.567 1.00 64.44 H new ATOM 0 HG22 ILE A 5 -4.469 7.999 8.200 1.00 64.44 H new ATOM 0 HG23 ILE A 5 -5.959 8.443 7.333 1.00 64.44 H new ATOM 0 HD11 ILE A 5 -8.172 4.978 6.716 1.00 33.42 H new ATOM 0 HD12 ILE A 5 -6.745 4.571 7.698 1.00 33.42 H new ATOM 0 HD13 ILE A 5 -7.559 6.139 7.918 1.00 33.42 H new ATOM 85 N VAL A 6 -3.345 9.404 6.091 1.00 15.12 N ATOM 86 CA VAL A 6 -2.389 10.357 6.643 1.00 71.54 C ATOM 87 C VAL A 6 -3.083 11.374 7.542 1.00 63.34 C ATOM 88 O VAL A 6 -3.710 12.317 7.060 1.00 72.22 O ATOM 89 CB VAL A 6 -1.635 11.104 5.527 1.00 24.10 C ATOM 90 CG1 VAL A 6 -0.685 12.133 6.121 1.00 12.12 C ATOM 91 CG2 VAL A 6 -0.883 10.121 4.642 1.00 2.21 C ATOM 0 H VAL A 6 -4.144 9.832 5.624 1.00 15.12 H new ATOM 0 HA VAL A 6 -1.675 9.783 7.234 1.00 71.54 H new ATOM 0 HB VAL A 6 -2.363 11.630 4.910 1.00 24.10 H new ATOM 0 HG11 VAL A 6 -0.161 12.651 5.318 1.00 12.12 H new ATOM 0 HG12 VAL A 6 -1.252 12.855 6.709 1.00 12.12 H new ATOM 0 HG13 VAL A 6 0.040 11.632 6.763 1.00 12.12 H new ATOM 0 HG21 VAL A 6 -0.356 10.666 3.859 1.00 2.21 H new ATOM 0 HG22 VAL A 6 -0.164 9.566 5.244 1.00 2.21 H new ATOM 0 HG23 VAL A 6 -1.589 9.426 4.188 1.00 2.21 H new ATOM 101 N TRP A 7 -2.965 11.176 8.850 1.00 42.15 N ATOM 102 CA TRP A 7 -3.581 12.077 9.817 1.00 4.21 C ATOM 103 C TRP A 7 -2.546 13.025 10.413 1.00 51.50 C ATOM 104 O TRP A 7 -1.478 12.598 10.852 1.00 51.33 O ATOM 105 CB TRP A 7 -4.258 11.277 10.931 1.00 54.14 C ATOM 106 CG TRP A 7 -5.483 10.544 10.474 1.00 31.40 C ATOM 107 CD1 TRP A 7 -5.950 10.445 9.194 1.00 13.55 C ATOM 108 CD2 TRP A 7 -6.397 9.808 11.295 1.00 60.35 C ATOM 109 NE1 TRP A 7 -7.100 9.693 9.170 1.00 23.12 N ATOM 110 CE2 TRP A 7 -7.394 9.289 10.446 1.00 53.25 C ATOM 111 CE3 TRP A 7 -6.469 9.535 12.663 1.00 21.41 C ATOM 112 CZ2 TRP A 7 -8.449 8.516 10.923 1.00 71.45 C ATOM 113 CZ3 TRP A 7 -7.517 8.767 13.135 1.00 45.00 C ATOM 114 CH2 TRP A 7 -8.495 8.264 12.267 1.00 43.02 C ATOM 0 H TRP A 7 -2.449 10.400 9.265 1.00 42.15 H new ATOM 0 HA TRP A 7 -4.333 12.670 9.296 1.00 4.21 H new ATOM 0 HB2 TRP A 7 -3.545 10.560 11.339 1.00 54.14 H new ATOM 0 HB3 TRP A 7 -4.529 11.954 11.742 1.00 54.14 H new ATOM 0 HD1 TRP A 7 -5.484 10.892 8.328 1.00 13.55 H new ATOM 0 HE1 TRP A 7 -7.646 9.472 8.337 1.00 23.12 H new ATOM 0 HE3 TRP A 7 -5.719 9.917 13.340 1.00 21.41 H new ATOM 0 HZ2 TRP A 7 -9.205 8.129 10.256 1.00 71.45 H new ATOM 0 HZ3 TRP A 7 -7.583 8.551 14.191 1.00 45.00 H new ATOM 0 HH2 TRP A 7 -9.301 7.666 12.666 1.00 43.02 H new ATOM 125 N VAL A 8 -2.869 14.315 10.426 1.00 73.21 N ATOM 126 CA VAL A 8 -1.968 15.324 10.970 1.00 62.54 C ATOM 127 C VAL A 8 -2.718 16.308 11.860 1.00 25.12 C ATOM 128 O VAL A 8 -3.497 17.129 11.377 1.00 1.43 O ATOM 129 CB VAL A 8 -1.255 16.103 9.848 1.00 34.41 C ATOM 130 CG1 VAL A 8 -0.154 16.980 10.424 1.00 53.25 C ATOM 131 CG2 VAL A 8 -0.696 15.145 8.807 1.00 21.10 C ATOM 0 H VAL A 8 -3.748 14.686 10.066 1.00 73.21 H new ATOM 0 HA VAL A 8 -1.223 14.796 11.565 1.00 62.54 H new ATOM 0 HB VAL A 8 -1.983 16.750 9.359 1.00 34.41 H new ATOM 0 HG11 VAL A 8 0.339 17.523 9.617 1.00 53.25 H new ATOM 0 HG12 VAL A 8 -0.586 17.691 11.128 1.00 53.25 H new ATOM 0 HG13 VAL A 8 0.576 16.356 10.940 1.00 53.25 H new ATOM 0 HG21 VAL A 8 -0.196 15.712 8.022 1.00 21.10 H new ATOM 0 HG22 VAL A 8 0.019 14.471 9.279 1.00 21.10 H new ATOM 0 HG23 VAL A 8 -1.510 14.564 8.373 1.00 21.10 H new ATOM 141 N VAL A 9 -2.476 16.220 13.164 1.00 33.24 N ATOM 142 CA VAL A 9 -3.127 17.104 14.124 1.00 73.12 C ATOM 143 C VAL A 9 -2.176 18.197 14.597 1.00 51.32 C ATOM 144 O VAL A 9 -1.212 17.928 15.314 1.00 53.40 O ATOM 145 CB VAL A 9 -3.643 16.323 15.347 1.00 62.40 C ATOM 146 CG1 VAL A 9 -2.493 15.624 16.058 1.00 55.50 C ATOM 147 CG2 VAL A 9 -4.384 17.250 16.298 1.00 42.53 C ATOM 0 H VAL A 9 -1.834 15.545 13.580 1.00 33.24 H new ATOM 0 HA VAL A 9 -3.973 17.560 13.610 1.00 73.12 H new ATOM 0 HB VAL A 9 -4.342 15.561 15.001 1.00 62.40 H new ATOM 0 HG11 VAL A 9 -2.876 15.077 16.919 1.00 55.50 H new ATOM 0 HG12 VAL A 9 -2.010 14.928 15.372 1.00 55.50 H new ATOM 0 HG13 VAL A 9 -1.768 16.366 16.392 1.00 55.50 H new ATOM 0 HG21 VAL A 9 -4.741 16.681 17.156 1.00 42.53 H new ATOM 0 HG22 VAL A 9 -3.710 18.036 16.639 1.00 42.53 H new ATOM 0 HG23 VAL A 9 -5.232 17.699 15.781 1.00 42.53 H new ATOM 157 N ASP A 10 -2.454 19.431 14.191 1.00 2.40 N ATOM 158 CA ASP A 10 -1.624 20.567 14.575 1.00 44.34 C ATOM 159 C ASP A 10 -2.383 21.879 14.399 1.00 64.12 C ATOM 160 O ASP A 10 -3.413 21.926 13.727 1.00 50.13 O ATOM 161 CB ASP A 10 -0.340 20.591 13.744 1.00 44.50 C ATOM 162 CG ASP A 10 -0.555 21.174 12.361 1.00 14.42 C ATOM 163 OD1 ASP A 10 -1.178 20.492 11.521 1.00 41.42 O ATOM 164 OD2 ASP A 10 -0.101 22.312 12.119 1.00 0.42 O ATOM 0 H ASP A 10 -3.247 19.670 13.596 1.00 2.40 H new ATOM 0 HA ASP A 10 -1.365 20.457 15.628 1.00 44.34 H new ATOM 0 HB2 ASP A 10 0.417 21.175 14.267 1.00 44.50 H new ATOM 0 HB3 ASP A 10 0.048 19.577 13.651 1.00 44.50 H new ATOM 169 N ASP A 11 -1.867 22.941 15.008 1.00 70.11 N ATOM 170 CA ASP A 11 -2.496 24.254 14.919 1.00 61.41 C ATOM 171 C ASP A 11 -1.676 25.190 14.037 1.00 51.21 C ATOM 172 O ASP A 11 -0.918 26.023 14.535 1.00 62.42 O ATOM 173 CB ASP A 11 -2.660 24.860 16.314 1.00 61.24 C ATOM 174 CG ASP A 11 -3.762 25.900 16.367 1.00 63.31 C ATOM 175 OD1 ASP A 11 -3.606 26.963 15.730 1.00 1.03 O ATOM 176 OD2 ASP A 11 -4.780 25.650 17.045 1.00 53.14 O ATOM 0 H ASP A 11 -1.015 22.919 15.568 1.00 70.11 H new ATOM 0 HA ASP A 11 -3.480 24.129 14.468 1.00 61.41 H new ATOM 0 HB2 ASP A 11 -2.879 24.066 17.028 1.00 61.24 H new ATOM 0 HB3 ASP A 11 -1.719 25.316 16.622 1.00 61.24 H new ATOM 181 N ASP A 12 -1.833 25.048 12.726 1.00 71.35 N ATOM 182 CA ASP A 12 -1.108 25.881 11.774 1.00 65.24 C ATOM 183 C ASP A 12 -1.627 25.664 10.356 1.00 42.23 C ATOM 184 O ASP A 12 -1.423 24.604 9.765 1.00 71.24 O ATOM 185 CB ASP A 12 0.390 25.576 11.834 1.00 71.51 C ATOM 186 CG ASP A 12 1.214 26.792 12.205 1.00 44.41 C ATOM 187 OD1 ASP A 12 1.080 27.273 13.349 1.00 14.42 O ATOM 188 OD2 ASP A 12 1.994 27.264 11.351 1.00 50.43 O ATOM 0 H ASP A 12 -2.456 24.363 12.298 1.00 71.35 H new ATOM 0 HA ASP A 12 -1.270 26.924 12.045 1.00 65.24 H new ATOM 0 HB2 ASP A 12 0.568 24.785 12.562 1.00 71.51 H new ATOM 0 HB3 ASP A 12 0.720 25.199 10.866 1.00 71.51 H new ATOM 193 N SER A 13 -2.300 26.676 9.816 1.00 24.32 N ATOM 194 CA SER A 13 -2.853 26.594 8.469 1.00 4.14 C ATOM 195 C SER A 13 -1.756 26.306 7.448 1.00 11.34 C ATOM 196 O SER A 13 -2.014 25.735 6.389 1.00 24.52 O ATOM 197 CB SER A 13 -3.570 27.897 8.110 1.00 35.53 C ATOM 198 OG SER A 13 -4.927 27.861 8.519 1.00 60.54 O ATOM 0 H SER A 13 -2.475 27.562 10.291 1.00 24.32 H new ATOM 0 HA SER A 13 -3.571 25.774 8.446 1.00 4.14 H new ATOM 0 HB2 SER A 13 -3.065 28.737 8.587 1.00 35.53 H new ATOM 0 HB3 SER A 13 -3.515 28.062 7.034 1.00 35.53 H new ATOM 0 HG SER A 13 -5.363 28.705 8.280 1.00 60.54 H new ATOM 204 N SER A 14 -0.532 26.707 7.776 1.00 43.05 N ATOM 205 CA SER A 14 0.605 26.496 6.886 1.00 14.33 C ATOM 206 C SER A 14 0.946 25.013 6.783 1.00 75.24 C ATOM 207 O SER A 14 0.907 24.430 5.698 1.00 14.35 O ATOM 208 CB SER A 14 1.822 27.277 7.386 1.00 53.33 C ATOM 209 OG SER A 14 1.465 28.600 7.748 1.00 44.12 O ATOM 0 H SER A 14 -0.302 27.179 8.650 1.00 43.05 H new ATOM 0 HA SER A 14 0.332 26.858 5.895 1.00 14.33 H new ATOM 0 HB2 SER A 14 2.258 26.767 8.245 1.00 53.33 H new ATOM 0 HB3 SER A 14 2.586 27.303 6.609 1.00 53.33 H new ATOM 0 HG SER A 14 2.259 29.078 8.066 1.00 44.12 H new ATOM 215 N ILE A 15 1.280 24.408 7.918 1.00 54.42 N ATOM 216 CA ILE A 15 1.626 22.993 7.956 1.00 44.23 C ATOM 217 C ILE A 15 0.489 22.134 7.415 1.00 72.32 C ATOM 218 O ILE A 15 0.722 21.091 6.804 1.00 73.33 O ATOM 219 CB ILE A 15 1.965 22.535 9.386 1.00 25.24 C ATOM 220 CG1 ILE A 15 2.970 23.494 10.028 1.00 64.11 C ATOM 221 CG2 ILE A 15 2.514 21.116 9.372 1.00 62.11 C ATOM 222 CD1 ILE A 15 4.220 23.701 9.201 1.00 23.05 C ATOM 0 H ILE A 15 1.318 24.876 8.823 1.00 54.42 H new ATOM 0 HA ILE A 15 2.505 22.866 7.325 1.00 44.23 H new ATOM 0 HB ILE A 15 1.051 22.545 9.980 1.00 25.24 H new ATOM 0 HG12 ILE A 15 2.488 24.458 10.190 1.00 64.11 H new ATOM 0 HG13 ILE A 15 3.252 23.109 11.008 1.00 64.11 H new ATOM 0 HG21 ILE A 15 2.749 20.807 10.390 1.00 62.11 H new ATOM 0 HG22 ILE A 15 1.768 20.442 8.951 1.00 62.11 H new ATOM 0 HG23 ILE A 15 3.418 21.082 8.765 1.00 62.11 H new ATOM 0 HD11 ILE A 15 4.887 24.392 9.717 1.00 23.05 H new ATOM 0 HD12 ILE A 15 4.725 22.746 9.060 1.00 23.05 H new ATOM 0 HD13 ILE A 15 3.949 24.115 8.230 1.00 23.05 H new ATOM 234 N ARG A 16 -0.742 22.580 7.642 1.00 33.22 N ATOM 235 CA ARG A 16 -1.917 21.852 7.177 1.00 23.01 C ATOM 236 C ARG A 16 -2.131 22.064 5.681 1.00 2.23 C ATOM 237 O ARG A 16 -2.587 21.164 4.976 1.00 14.50 O ATOM 238 CB ARG A 16 -3.159 22.299 7.949 1.00 12.35 C ATOM 239 CG ARG A 16 -3.072 22.043 9.445 1.00 21.50 C ATOM 240 CD ARG A 16 -4.263 21.238 9.943 1.00 43.34 C ATOM 241 NE ARG A 16 -4.775 21.748 11.212 1.00 74.23 N ATOM 242 CZ ARG A 16 -5.420 22.903 11.333 1.00 33.22 C ATOM 243 NH1 ARG A 16 -5.631 23.664 10.268 1.00 24.30 N ATOM 244 NH2 ARG A 16 -5.857 23.298 12.522 1.00 3.42 N ATOM 0 H ARG A 16 -0.952 23.442 8.145 1.00 33.22 H new ATOM 0 HA ARG A 16 -1.749 20.790 7.356 1.00 23.01 H new ATOM 0 HB2 ARG A 16 -3.318 23.364 7.780 1.00 12.35 H new ATOM 0 HB3 ARG A 16 -4.031 21.780 7.550 1.00 12.35 H new ATOM 0 HG2 ARG A 16 -2.150 21.508 9.671 1.00 21.50 H new ATOM 0 HG3 ARG A 16 -3.027 22.994 9.976 1.00 21.50 H new ATOM 0 HD2 ARG A 16 -5.056 21.263 9.196 1.00 43.34 H new ATOM 0 HD3 ARG A 16 -3.971 20.195 10.063 1.00 43.34 H new ATOM 0 HE ARG A 16 -4.629 21.187 12.051 1.00 74.23 H new ATOM 0 HH11 ARG A 16 -5.298 23.363 9.352 1.00 24.30 H new ATOM 0 HH12 ARG A 16 -6.127 24.550 10.365 1.00 24.30 H new ATOM 0 HH21 ARG A 16 -5.698 22.715 13.343 1.00 3.42 H new ATOM 0 HH22 ARG A 16 -6.352 24.185 12.615 1.00 3.42 H new ATOM 258 N TRP A 17 -1.799 23.259 5.205 1.00 24.43 N ATOM 259 CA TRP A 17 -1.955 23.589 3.793 1.00 31.03 C ATOM 260 C TRP A 17 -0.964 22.807 2.938 1.00 1.23 C ATOM 261 O TRP A 17 -1.357 22.032 2.066 1.00 13.15 O ATOM 262 CB TRP A 17 -1.762 25.091 3.575 1.00 33.43 C ATOM 263 CG TRP A 17 -1.515 25.456 2.143 1.00 64.10 C ATOM 264 CD1 TRP A 17 -2.424 25.440 1.124 1.00 23.30 C ATOM 265 CD2 TRP A 17 -0.276 25.890 1.571 1.00 23.42 C ATOM 266 NE1 TRP A 17 -1.825 25.837 -0.047 1.00 5.21 N ATOM 267 CE2 TRP A 17 -0.507 26.120 0.201 1.00 73.41 C ATOM 268 CE3 TRP A 17 1.006 26.108 2.083 1.00 11.15 C ATOM 269 CZ2 TRP A 17 0.496 26.556 -0.660 1.00 61.54 C ATOM 270 CZ3 TRP A 17 2.001 26.540 1.227 1.00 13.43 C ATOM 271 CH2 TRP A 17 1.741 26.761 -0.132 1.00 4.21 C ATOM 0 H TRP A 17 -1.420 24.015 5.776 1.00 24.43 H new ATOM 0 HA TRP A 17 -2.965 23.312 3.490 1.00 31.03 H new ATOM 0 HB2 TRP A 17 -2.647 25.619 3.930 1.00 33.43 H new ATOM 0 HB3 TRP A 17 -0.923 25.434 4.180 1.00 33.43 H new ATOM 0 HD1 TRP A 17 -3.461 25.157 1.224 1.00 23.30 H new ATOM 0 HE1 TRP A 17 -2.286 25.909 -0.954 1.00 5.21 H new ATOM 0 HE3 TRP A 17 1.215 25.942 3.129 1.00 11.15 H new ATOM 0 HZ2 TRP A 17 0.298 26.726 -1.708 1.00 61.54 H new ATOM 0 HZ3 TRP A 17 2.996 26.710 1.612 1.00 13.43 H new ATOM 0 HH2 TRP A 17 2.540 27.100 -0.775 1.00 4.21 H new ATOM 282 N VAL A 18 0.324 23.015 3.193 1.00 0.32 N ATOM 283 CA VAL A 18 1.372 22.328 2.447 1.00 13.52 C ATOM 284 C VAL A 18 1.127 20.824 2.414 1.00 12.13 C ATOM 285 O VAL A 18 1.438 20.155 1.428 1.00 31.31 O ATOM 286 CB VAL A 18 2.762 22.598 3.054 1.00 55.22 C ATOM 287 CG1 VAL A 18 3.259 23.979 2.656 1.00 43.33 C ATOM 288 CG2 VAL A 18 2.719 22.454 4.568 1.00 72.34 C ATOM 0 H VAL A 18 0.667 23.654 3.911 1.00 0.32 H new ATOM 0 HA VAL A 18 1.346 22.720 1.430 1.00 13.52 H new ATOM 0 HB VAL A 18 3.461 21.859 2.661 1.00 55.22 H new ATOM 0 HG11 VAL A 18 4.242 24.152 3.094 1.00 43.33 H new ATOM 0 HG12 VAL A 18 3.329 24.041 1.570 1.00 43.33 H new ATOM 0 HG13 VAL A 18 2.562 24.735 3.018 1.00 43.33 H new ATOM 0 HG21 VAL A 18 3.709 22.648 4.980 1.00 72.34 H new ATOM 0 HG22 VAL A 18 2.007 23.169 4.981 1.00 72.34 H new ATOM 0 HG23 VAL A 18 2.410 21.442 4.829 1.00 72.34 H new ATOM 298 N LEU A 19 0.567 20.298 3.498 1.00 62.31 N ATOM 299 CA LEU A 19 0.279 18.871 3.594 1.00 62.21 C ATOM 300 C LEU A 19 -0.724 18.445 2.527 1.00 62.35 C ATOM 301 O LEU A 19 -0.441 17.567 1.712 1.00 75.12 O ATOM 302 CB LEU A 19 -0.263 18.532 4.984 1.00 51.24 C ATOM 303 CG LEU A 19 0.778 18.148 6.035 1.00 5.32 C ATOM 304 CD1 LEU A 19 0.111 17.888 7.377 1.00 64.31 C ATOM 305 CD2 LEU A 19 1.567 16.928 5.584 1.00 63.22 C ATOM 0 H LEU A 19 0.303 20.838 4.322 1.00 62.31 H new ATOM 0 HA LEU A 19 1.209 18.326 3.431 1.00 62.21 H new ATOM 0 HB2 LEU A 19 -0.823 19.391 5.353 1.00 51.24 H new ATOM 0 HB3 LEU A 19 -0.971 17.709 4.885 1.00 51.24 H new ATOM 0 HG LEU A 19 1.472 18.981 6.153 1.00 5.32 H new ATOM 0 HD11 LEU A 19 0.868 17.616 8.113 1.00 64.31 H new ATOM 0 HD12 LEU A 19 -0.408 18.788 7.706 1.00 64.31 H new ATOM 0 HD13 LEU A 19 -0.606 17.073 7.275 1.00 64.31 H new ATOM 0 HD21 LEU A 19 2.303 16.669 6.345 1.00 63.22 H new ATOM 0 HD22 LEU A 19 0.887 16.089 5.437 1.00 63.22 H new ATOM 0 HD23 LEU A 19 2.077 17.150 4.647 1.00 63.22 H new ATOM 317 N GLU A 20 -1.895 19.074 2.537 1.00 44.42 N ATOM 318 CA GLU A 20 -2.938 18.761 1.568 1.00 34.42 C ATOM 319 C GLU A 20 -2.396 18.827 0.143 1.00 32.03 C ATOM 320 O GLU A 20 -2.664 17.948 -0.676 1.00 33.23 O ATOM 321 CB GLU A 20 -4.116 19.726 1.723 1.00 24.31 C ATOM 322 CG GLU A 20 -5.172 19.576 0.641 1.00 30.34 C ATOM 323 CD GLU A 20 -6.304 20.574 0.789 1.00 61.01 C ATOM 324 OE1 GLU A 20 -6.017 21.782 0.920 1.00 40.14 O ATOM 325 OE2 GLU A 20 -7.477 20.146 0.773 1.00 12.13 O ATOM 0 H GLU A 20 -2.145 19.803 3.205 1.00 44.42 H new ATOM 0 HA GLU A 20 -3.282 17.745 1.760 1.00 34.42 H new ATOM 0 HB2 GLU A 20 -4.580 19.566 2.696 1.00 24.31 H new ATOM 0 HB3 GLU A 20 -3.740 20.749 1.713 1.00 24.31 H new ATOM 0 HG2 GLU A 20 -4.706 19.703 -0.336 1.00 30.34 H new ATOM 0 HG3 GLU A 20 -5.578 18.565 0.672 1.00 30.34 H new ATOM 332 N ARG A 21 -1.633 19.876 -0.145 1.00 1.13 N ATOM 333 CA ARG A 21 -1.054 20.059 -1.470 1.00 73.13 C ATOM 334 C ARG A 21 -0.201 18.856 -1.862 1.00 33.11 C ATOM 335 O ARG A 21 -0.018 18.571 -3.045 1.00 42.30 O ATOM 336 CB ARG A 21 -0.207 21.332 -1.509 1.00 54.43 C ATOM 337 CG ARG A 21 -0.878 22.488 -2.235 1.00 22.34 C ATOM 338 CD ARG A 21 0.142 23.501 -2.731 1.00 30.23 C ATOM 339 NE ARG A 21 -0.165 23.972 -4.079 1.00 33.44 N ATOM 340 CZ ARG A 21 0.142 23.297 -5.181 1.00 30.44 C ATOM 341 NH1 ARG A 21 0.761 22.127 -5.095 1.00 2.42 N ATOM 342 NH2 ARG A 21 -0.171 23.791 -6.372 1.00 22.23 N ATOM 0 H ARG A 21 -1.401 20.612 0.522 1.00 1.13 H new ATOM 0 HA ARG A 21 -1.871 20.152 -2.186 1.00 73.13 H new ATOM 0 HB2 ARG A 21 0.021 21.638 -0.488 1.00 54.43 H new ATOM 0 HB3 ARG A 21 0.743 21.111 -1.995 1.00 54.43 H new ATOM 0 HG2 ARG A 21 -1.452 22.105 -3.079 1.00 22.34 H new ATOM 0 HG3 ARG A 21 -1.584 22.979 -1.565 1.00 22.34 H new ATOM 0 HD2 ARG A 21 0.171 24.350 -2.048 1.00 30.23 H new ATOM 0 HD3 ARG A 21 1.134 23.050 -2.722 1.00 30.23 H new ATOM 0 HE ARG A 21 -0.641 24.868 -4.180 1.00 33.44 H new ATOM 0 HH11 ARG A 21 1.002 21.744 -4.181 1.00 2.42 H new ATOM 0 HH12 ARG A 21 0.996 21.611 -5.943 1.00 2.42 H new ATOM 0 HH21 ARG A 21 -0.648 24.690 -6.442 1.00 22.23 H new ATOM 0 HH22 ARG A 21 0.065 23.272 -7.218 1.00 22.23 H new ATOM 356 N ALA A 22 0.318 18.154 -0.860 1.00 32.20 N ATOM 357 CA ALA A 22 1.150 16.981 -1.099 1.00 53.14 C ATOM 358 C ALA A 22 0.302 15.718 -1.200 1.00 31.32 C ATOM 359 O ALA A 22 0.316 15.028 -2.220 1.00 71.41 O ATOM 360 CB ALA A 22 2.188 16.836 0.004 1.00 53.34 C ATOM 0 H ALA A 22 0.177 18.377 0.125 1.00 32.20 H new ATOM 0 HA ALA A 22 1.664 17.119 -2.050 1.00 53.14 H new ATOM 0 HB1 ALA A 22 2.802 15.956 -0.188 1.00 53.34 H new ATOM 0 HB2 ALA A 22 2.822 17.723 0.026 1.00 53.34 H new ATOM 0 HB3 ALA A 22 1.685 16.725 0.965 1.00 53.34 H new ATOM 366 N LEU A 23 -0.435 15.419 -0.136 1.00 0.35 N ATOM 367 CA LEU A 23 -1.289 14.237 -0.103 1.00 55.45 C ATOM 368 C LEU A 23 -2.331 14.288 -1.217 1.00 22.11 C ATOM 369 O LEU A 23 -2.376 13.410 -2.078 1.00 34.22 O ATOM 370 CB LEU A 23 -1.984 14.122 1.255 1.00 44.32 C ATOM 371 CG LEU A 23 -1.112 14.401 2.480 1.00 61.22 C ATOM 372 CD1 LEU A 23 -1.900 14.167 3.760 1.00 45.54 C ATOM 373 CD2 LEU A 23 0.137 13.532 2.454 1.00 22.01 C ATOM 0 H LEU A 23 -0.458 15.979 0.716 1.00 0.35 H new ATOM 0 HA LEU A 23 -0.660 13.360 -0.257 1.00 55.45 H new ATOM 0 HB2 LEU A 23 -2.827 14.813 1.269 1.00 44.32 H new ATOM 0 HB3 LEU A 23 -2.394 13.116 1.347 1.00 44.32 H new ATOM 0 HG LEU A 23 -0.804 15.446 2.453 1.00 61.22 H new ATOM 0 HD11 LEU A 23 -1.264 14.370 4.621 1.00 45.54 H new ATOM 0 HD12 LEU A 23 -2.764 14.831 3.782 1.00 45.54 H new ATOM 0 HD13 LEU A 23 -2.238 13.131 3.795 1.00 45.54 H new ATOM 0 HD21 LEU A 23 0.746 13.744 3.333 1.00 22.01 H new ATOM 0 HD22 LEU A 23 -0.151 12.481 2.457 1.00 22.01 H new ATOM 0 HD23 LEU A 23 0.712 13.748 1.554 1.00 22.01 H new ATOM 385 N ALA A 24 -3.164 15.323 -1.194 1.00 72.11 N ATOM 386 CA ALA A 24 -4.202 15.490 -2.204 1.00 10.43 C ATOM 387 C ALA A 24 -3.608 15.486 -3.608 1.00 44.10 C ATOM 388 O ALA A 24 -4.288 15.161 -4.580 1.00 14.22 O ATOM 389 CB ALA A 24 -4.973 16.779 -1.959 1.00 74.20 C ATOM 0 H ALA A 24 -3.140 16.058 -0.487 1.00 72.11 H new ATOM 0 HA ALA A 24 -4.889 14.647 -2.126 1.00 10.43 H new ATOM 0 HB1 ALA A 24 -5.745 16.891 -2.720 1.00 74.20 H new ATOM 0 HB2 ALA A 24 -5.438 16.743 -0.974 1.00 74.20 H new ATOM 0 HB3 ALA A 24 -4.289 17.627 -2.007 1.00 74.20 H new ATOM 395 N GLY A 25 -2.333 15.850 -3.707 1.00 65.12 N ATOM 396 CA GLY A 25 -1.668 15.882 -4.997 1.00 74.22 C ATOM 397 C GLY A 25 -1.094 14.534 -5.387 1.00 53.22 C ATOM 398 O GLY A 25 -0.956 14.230 -6.572 1.00 14.14 O ATOM 0 H GLY A 25 -1.749 16.123 -2.917 1.00 65.12 H new ATOM 0 HA2 GLY A 25 -2.376 16.206 -5.759 1.00 74.22 H new ATOM 0 HA3 GLY A 25 -0.867 16.621 -4.971 1.00 74.22 H new ATOM 402 N ALA A 26 -0.757 13.725 -4.388 1.00 72.14 N ATOM 403 CA ALA A 26 -0.195 12.403 -4.633 1.00 71.51 C ATOM 404 C ALA A 26 -1.257 11.318 -4.485 1.00 13.51 C ATOM 405 O ALA A 26 -0.960 10.128 -4.574 1.00 40.14 O ATOM 406 CB ALA A 26 0.966 12.139 -3.686 1.00 43.21 C ATOM 0 H ALA A 26 -0.863 13.962 -3.402 1.00 72.14 H new ATOM 0 HA ALA A 26 0.173 12.377 -5.659 1.00 71.51 H new ATOM 0 HB1 ALA A 26 1.376 11.148 -3.880 1.00 43.21 H new ATOM 0 HB2 ALA A 26 1.741 12.889 -3.842 1.00 43.21 H new ATOM 0 HB3 ALA A 26 0.614 12.190 -2.656 1.00 43.21 H new ATOM 412 N GLY A 27 -2.498 11.739 -4.257 1.00 20.01 N ATOM 413 CA GLY A 27 -3.585 10.791 -4.099 1.00 33.10 C ATOM 414 C GLY A 27 -3.705 10.278 -2.678 1.00 33.23 C ATOM 415 O GLY A 27 -4.654 9.567 -2.344 1.00 73.34 O ATOM 0 H GLY A 27 -2.769 12.719 -4.179 1.00 20.01 H new ATOM 0 HA2 GLY A 27 -4.522 11.265 -4.391 1.00 33.10 H new ATOM 0 HA3 GLY A 27 -3.430 9.949 -4.774 1.00 33.10 H new ATOM 419 N LEU A 28 -2.741 10.637 -1.838 1.00 21.54 N ATOM 420 CA LEU A 28 -2.741 10.206 -0.444 1.00 12.33 C ATOM 421 C LEU A 28 -3.905 10.832 0.319 1.00 5.11 C ATOM 422 O LEU A 28 -4.252 11.993 0.101 1.00 3.41 O ATOM 423 CB LEU A 28 -1.418 10.580 0.226 1.00 24.51 C ATOM 424 CG LEU A 28 -0.150 10.242 -0.559 1.00 5.30 C ATOM 425 CD1 LEU A 28 1.046 10.990 0.011 1.00 32.11 C ATOM 426 CD2 LEU A 28 0.102 8.742 -0.547 1.00 22.45 C ATOM 0 H LEU A 28 -1.949 11.225 -2.097 1.00 21.54 H new ATOM 0 HA LEU A 28 -2.858 9.122 -0.424 1.00 12.33 H new ATOM 0 HB2 LEU A 28 -1.424 11.652 0.424 1.00 24.51 H new ATOM 0 HB3 LEU A 28 -1.368 10.078 1.192 1.00 24.51 H new ATOM 0 HG LEU A 28 -0.291 10.558 -1.593 1.00 5.30 H new ATOM 0 HD11 LEU A 28 1.939 10.737 -0.560 1.00 32.11 H new ATOM 0 HD12 LEU A 28 0.867 12.063 -0.051 1.00 32.11 H new ATOM 0 HD13 LEU A 28 1.190 10.706 1.054 1.00 32.11 H new ATOM 0 HD21 LEU A 28 1.008 8.521 -1.111 1.00 22.45 H new ATOM 0 HD22 LEU A 28 0.222 8.401 0.481 1.00 22.45 H new ATOM 0 HD23 LEU A 28 -0.744 8.227 -1.003 1.00 22.45 H new ATOM 438 N THR A 29 -4.503 10.055 1.217 1.00 50.51 N ATOM 439 CA THR A 29 -5.626 10.533 2.013 1.00 13.22 C ATOM 440 C THR A 29 -5.192 11.640 2.967 1.00 15.13 C ATOM 441 O THR A 29 -4.375 11.417 3.861 1.00 0.11 O ATOM 442 CB THR A 29 -6.265 9.391 2.826 1.00 3.21 C ATOM 443 OG1 THR A 29 -6.470 8.249 1.988 1.00 74.31 O ATOM 444 CG2 THR A 29 -7.591 9.831 3.427 1.00 31.24 C ATOM 0 H THR A 29 -4.228 9.092 1.411 1.00 50.51 H new ATOM 0 HA THR A 29 -6.363 10.928 1.314 1.00 13.22 H new ATOM 0 HB THR A 29 -5.587 9.128 3.638 1.00 3.21 H new ATOM 0 HG1 THR A 29 -6.875 7.527 2.512 1.00 74.31 H new ATOM 0 HG21 THR A 29 -8.023 9.008 3.996 1.00 31.24 H new ATOM 0 HG22 THR A 29 -7.426 10.682 4.088 1.00 31.24 H new ATOM 0 HG23 THR A 29 -8.275 10.118 2.628 1.00 31.24 H new ATOM 452 N CYS A 30 -5.745 12.832 2.773 1.00 43.43 N ATOM 453 CA CYS A 30 -5.414 13.975 3.617 1.00 52.11 C ATOM 454 C CYS A 30 -6.427 14.127 4.747 1.00 52.31 C ATOM 455 O CYS A 30 -7.637 14.055 4.526 1.00 64.40 O ATOM 456 CB CYS A 30 -5.367 15.256 2.782 1.00 20.31 C ATOM 457 SG CYS A 30 -4.986 16.744 3.735 1.00 55.40 S ATOM 0 H CYS A 30 -6.424 13.032 2.039 1.00 43.43 H new ATOM 0 HA CYS A 30 -4.431 13.800 4.055 1.00 52.11 H new ATOM 0 HB2 CYS A 30 -4.619 15.138 1.998 1.00 20.31 H new ATOM 0 HB3 CYS A 30 -6.329 15.390 2.288 1.00 20.31 H new ATOM 0 HG CYS A 30 -5.718 17.731 3.310 1.00 55.40 H new ATOM 463 N THR A 31 -5.926 14.337 5.960 1.00 3.41 N ATOM 464 CA THR A 31 -6.786 14.497 7.126 1.00 61.23 C ATOM 465 C THR A 31 -6.217 15.530 8.092 1.00 72.14 C ATOM 466 O THR A 31 -5.013 15.561 8.346 1.00 44.43 O ATOM 467 CB THR A 31 -6.974 13.162 7.872 1.00 53.34 C ATOM 468 OG1 THR A 31 -7.572 12.195 7.001 1.00 20.24 O ATOM 469 CG2 THR A 31 -7.846 13.350 9.104 1.00 23.34 C ATOM 0 H THR A 31 -4.928 14.400 6.161 1.00 3.41 H new ATOM 0 HA THR A 31 -7.754 14.840 6.760 1.00 61.23 H new ATOM 0 HB THR A 31 -5.994 12.807 8.190 1.00 53.34 H new ATOM 0 HG1 THR A 31 -7.357 11.293 7.317 1.00 20.24 H new ATOM 0 HG21 THR A 31 -7.965 12.394 9.615 1.00 23.34 H new ATOM 0 HG22 THR A 31 -7.374 14.065 9.778 1.00 23.34 H new ATOM 0 HG23 THR A 31 -8.824 13.725 8.804 1.00 23.34 H new ATOM 477 N THR A 32 -7.091 16.375 8.629 1.00 34.03 N ATOM 478 CA THR A 32 -6.676 17.410 9.567 1.00 11.14 C ATOM 479 C THR A 32 -7.822 17.807 10.491 1.00 71.00 C ATOM 480 O THR A 32 -8.990 17.760 10.103 1.00 2.14 O ATOM 481 CB THR A 32 -6.167 18.664 8.831 1.00 32.14 C ATOM 482 OG1 THR A 32 -7.053 18.994 7.756 1.00 13.22 O ATOM 483 CG2 THR A 32 -4.764 18.440 8.288 1.00 1.34 C ATOM 0 H THR A 32 -8.091 16.363 8.430 1.00 34.03 H new ATOM 0 HA THR A 32 -5.863 16.991 10.160 1.00 11.14 H new ATOM 0 HB THR A 32 -6.137 19.489 9.543 1.00 32.14 H new ATOM 0 HG1 THR A 32 -6.724 19.793 7.294 1.00 13.22 H new ATOM 0 HG21 THR A 32 -4.426 19.339 7.772 1.00 1.34 H new ATOM 0 HG22 THR A 32 -4.086 18.217 9.112 1.00 1.34 H new ATOM 0 HG23 THR A 32 -4.773 17.603 7.590 1.00 1.34 H new ATOM 491 N PHE A 33 -7.481 18.199 11.714 1.00 34.54 N ATOM 492 CA PHE A 33 -8.483 18.604 12.694 1.00 62.21 C ATOM 493 C PHE A 33 -8.029 19.847 13.453 1.00 52.52 C ATOM 494 O PHE A 33 -8.422 20.966 13.122 1.00 31.35 O ATOM 495 CB PHE A 33 -8.756 17.464 13.677 1.00 24.33 C ATOM 496 CG PHE A 33 -9.184 16.187 13.012 1.00 51.45 C ATOM 497 CD1 PHE A 33 -10.476 16.040 12.532 1.00 3.22 C ATOM 498 CD2 PHE A 33 -8.295 15.134 12.866 1.00 53.54 C ATOM 499 CE1 PHE A 33 -10.873 14.867 11.919 1.00 52.14 C ATOM 500 CE2 PHE A 33 -8.687 13.959 12.253 1.00 41.34 C ATOM 501 CZ PHE A 33 -9.978 13.825 11.780 1.00 63.04 C ATOM 0 H PHE A 33 -6.519 18.245 12.050 1.00 34.54 H new ATOM 0 HA PHE A 33 -9.403 18.841 12.159 1.00 62.21 H new ATOM 0 HB2 PHE A 33 -7.855 17.276 14.261 1.00 24.33 H new ATOM 0 HB3 PHE A 33 -9.531 17.777 14.377 1.00 24.33 H new ATOM 0 HD1 PHE A 33 -11.181 16.852 12.638 1.00 3.22 H new ATOM 0 HD2 PHE A 33 -7.285 15.233 13.235 1.00 53.54 H new ATOM 0 HE1 PHE A 33 -11.883 14.765 11.549 1.00 52.14 H new ATOM 0 HE2 PHE A 33 -7.984 13.146 12.144 1.00 41.34 H new ATOM 0 HZ PHE A 33 -10.287 12.907 11.302 1.00 63.04 H new ATOM 511 N GLU A 34 -7.200 19.642 14.472 1.00 52.34 N ATOM 512 CA GLU A 34 -6.694 20.747 15.278 1.00 34.32 C ATOM 513 C GLU A 34 -5.896 20.228 16.471 1.00 41.32 C ATOM 514 O GLU A 34 -4.684 20.424 16.552 1.00 71.11 O ATOM 515 CB GLU A 34 -7.850 21.622 15.766 1.00 14.33 C ATOM 516 CG GLU A 34 -7.486 22.509 16.945 1.00 55.51 C ATOM 517 CD GLU A 34 -6.154 23.210 16.759 1.00 73.53 C ATOM 518 OE1 GLU A 34 -5.924 23.766 15.665 1.00 2.42 O ATOM 519 OE2 GLU A 34 -5.342 23.200 17.708 1.00 53.33 O ATOM 0 H GLU A 34 -6.865 18.722 14.759 1.00 52.34 H new ATOM 0 HA GLU A 34 -6.033 21.347 14.653 1.00 34.32 H new ATOM 0 HB2 GLU A 34 -8.193 22.249 14.943 1.00 14.33 H new ATOM 0 HB3 GLU A 34 -8.685 20.981 16.048 1.00 14.33 H new ATOM 0 HG2 GLU A 34 -8.268 23.255 17.089 1.00 55.51 H new ATOM 0 HG3 GLU A 34 -7.451 21.905 17.852 1.00 55.51 H new ATOM 526 N ASN A 35 -6.585 19.567 17.394 1.00 34.45 N ATOM 527 CA ASN A 35 -5.942 19.021 18.584 1.00 64.32 C ATOM 528 C ASN A 35 -6.220 17.526 18.716 1.00 52.52 C ATOM 529 O ASN A 35 -7.139 16.998 18.092 1.00 53.24 O ATOM 530 CB ASN A 35 -6.429 19.754 19.835 1.00 2.20 C ATOM 531 CG ASN A 35 -7.877 19.444 20.160 1.00 30.52 C ATOM 532 OD1 ASN A 35 -8.595 18.857 19.350 1.00 41.42 O ATOM 533 ND2 ASN A 35 -8.313 19.837 21.351 1.00 32.53 N ATOM 0 H ASN A 35 -7.589 19.396 17.341 1.00 34.45 H new ATOM 0 HA ASN A 35 -4.866 19.165 18.483 1.00 64.32 H new ATOM 0 HB2 ASN A 35 -5.802 19.477 20.682 1.00 2.20 H new ATOM 0 HB3 ASN A 35 -6.314 20.828 19.691 1.00 2.20 H new ATOM 0 HD21 ASN A 35 -9.278 19.655 21.626 1.00 32.53 H new ATOM 0 HD22 ASN A 35 -7.683 20.321 21.991 1.00 32.53 H new ATOM 540 N GLY A 36 -5.419 16.851 19.534 1.00 32.51 N ATOM 541 CA GLY A 36 -5.596 15.424 19.734 1.00 42.01 C ATOM 542 C GLY A 36 -7.029 15.058 20.067 1.00 4.21 C ATOM 543 O GLY A 36 -7.480 13.954 19.767 1.00 21.22 O ATOM 0 H GLY A 36 -4.651 17.266 20.062 1.00 32.51 H new ATOM 0 HA2 GLY A 36 -5.289 14.893 18.833 1.00 42.01 H new ATOM 0 HA3 GLY A 36 -4.942 15.089 20.540 1.00 42.01 H new ATOM 547 N ASN A 37 -7.745 15.988 20.691 1.00 72.41 N ATOM 548 CA ASN A 37 -9.135 15.756 21.068 1.00 50.25 C ATOM 549 C ASN A 37 -9.939 15.230 19.883 1.00 72.23 C ATOM 550 O ASN A 37 -10.580 14.183 19.972 1.00 54.44 O ATOM 551 CB ASN A 37 -9.765 17.048 21.592 1.00 1.12 C ATOM 552 CG ASN A 37 -11.012 16.790 22.416 1.00 41.32 C ATOM 553 OD1 ASN A 37 -11.785 15.878 22.123 1.00 10.10 O ATOM 554 ND2 ASN A 37 -11.213 17.596 23.452 1.00 30.33 N ATOM 0 H ASN A 37 -7.386 16.908 20.946 1.00 72.41 H new ATOM 0 HA ASN A 37 -9.151 15.005 21.858 1.00 50.25 H new ATOM 0 HB2 ASN A 37 -9.036 17.584 22.199 1.00 1.12 H new ATOM 0 HB3 ASN A 37 -10.016 17.694 20.751 1.00 1.12 H new ATOM 0 HD21 ASN A 37 -12.035 17.472 24.043 1.00 30.33 H new ATOM 0 HD22 ASN A 37 -10.545 18.339 23.657 1.00 30.33 H new ATOM 561 N GLU A 38 -9.899 15.963 18.774 1.00 1.05 N ATOM 562 CA GLU A 38 -10.624 15.570 17.572 1.00 33.42 C ATOM 563 C GLU A 38 -10.165 14.198 17.084 1.00 14.42 C ATOM 564 O GLU A 38 -10.974 13.286 16.910 1.00 42.51 O ATOM 565 CB GLU A 38 -10.426 16.609 16.467 1.00 10.00 C ATOM 566 CG GLU A 38 -11.334 17.820 16.600 1.00 0.05 C ATOM 567 CD GLU A 38 -12.645 17.651 15.857 1.00 43.31 C ATOM 568 OE1 GLU A 38 -13.052 16.493 15.629 1.00 63.31 O ATOM 569 OE2 GLU A 38 -13.263 18.677 15.503 1.00 61.32 O ATOM 0 H GLU A 38 -9.372 16.832 18.684 1.00 1.05 H new ATOM 0 HA GLU A 38 -11.684 15.513 17.820 1.00 33.42 H new ATOM 0 HB2 GLU A 38 -9.388 16.941 16.474 1.00 10.00 H new ATOM 0 HB3 GLU A 38 -10.603 16.137 15.500 1.00 10.00 H new ATOM 0 HG2 GLU A 38 -11.539 18.001 17.655 1.00 0.05 H new ATOM 0 HG3 GLU A 38 -10.816 18.701 16.220 1.00 0.05 H new ATOM 576 N VAL A 39 -8.862 14.061 16.865 1.00 64.31 N ATOM 577 CA VAL A 39 -8.294 12.802 16.398 1.00 63.25 C ATOM 578 C VAL A 39 -8.761 11.635 17.260 1.00 61.42 C ATOM 579 O VAL A 39 -8.880 10.505 16.783 1.00 31.02 O ATOM 580 CB VAL A 39 -6.754 12.845 16.401 1.00 31.25 C ATOM 581 CG1 VAL A 39 -6.180 11.437 16.364 1.00 33.43 C ATOM 582 CG2 VAL A 39 -6.242 13.669 15.230 1.00 5.33 C ATOM 0 H VAL A 39 -8.179 14.806 17.003 1.00 64.31 H new ATOM 0 HA VAL A 39 -8.644 12.657 15.376 1.00 63.25 H new ATOM 0 HB VAL A 39 -6.423 13.322 17.324 1.00 31.25 H new ATOM 0 HG11 VAL A 39 -5.091 11.488 16.367 1.00 33.43 H new ATOM 0 HG12 VAL A 39 -6.520 10.883 17.239 1.00 33.43 H new ATOM 0 HG13 VAL A 39 -6.517 10.930 15.460 1.00 33.43 H new ATOM 0 HG21 VAL A 39 -5.152 13.689 15.248 1.00 5.33 H new ATOM 0 HG22 VAL A 39 -6.582 13.223 14.295 1.00 5.33 H new ATOM 0 HG23 VAL A 39 -6.624 14.687 15.306 1.00 5.33 H new ATOM 592 N LEU A 40 -9.025 11.914 18.531 1.00 3.13 N ATOM 593 CA LEU A 40 -9.480 10.887 19.462 1.00 51.11 C ATOM 594 C LEU A 40 -10.692 10.147 18.906 1.00 54.23 C ATOM 595 O LEU A 40 -10.662 8.929 18.731 1.00 14.42 O ATOM 596 CB LEU A 40 -9.827 11.513 20.814 1.00 43.52 C ATOM 597 CG LEU A 40 -9.534 10.656 22.046 1.00 41.14 C ATOM 598 CD1 LEU A 40 -10.211 9.300 21.925 1.00 20.30 C ATOM 599 CD2 LEU A 40 -8.033 10.490 22.235 1.00 12.24 C ATOM 0 H LEU A 40 -8.932 12.843 18.941 1.00 3.13 H new ATOM 0 HA LEU A 40 -8.670 10.170 19.598 1.00 51.11 H new ATOM 0 HB2 LEU A 40 -9.278 12.450 20.909 1.00 43.52 H new ATOM 0 HB3 LEU A 40 -10.888 11.763 20.814 1.00 43.52 H new ATOM 0 HG LEU A 40 -9.936 11.163 22.923 1.00 41.14 H new ATOM 0 HD11 LEU A 40 -9.992 8.703 22.811 1.00 20.30 H new ATOM 0 HD12 LEU A 40 -11.289 9.438 21.838 1.00 20.30 H new ATOM 0 HD13 LEU A 40 -9.839 8.785 21.039 1.00 20.30 H new ATOM 0 HD21 LEU A 40 -7.843 9.877 23.116 1.00 12.24 H new ATOM 0 HD22 LEU A 40 -7.607 10.005 21.357 1.00 12.24 H new ATOM 0 HD23 LEU A 40 -7.572 11.469 22.367 1.00 12.24 H new ATOM 611 N ALA A 41 -11.757 10.892 18.627 1.00 13.02 N ATOM 612 CA ALA A 41 -12.978 10.307 18.087 1.00 52.55 C ATOM 613 C ALA A 41 -12.678 9.436 16.871 1.00 13.25 C ATOM 614 O ALA A 41 -13.295 8.389 16.680 1.00 60.33 O ATOM 615 CB ALA A 41 -13.971 11.402 17.722 1.00 63.51 C ATOM 0 H ALA A 41 -11.799 11.902 18.766 1.00 13.02 H new ATOM 0 HA ALA A 41 -13.419 9.673 18.856 1.00 52.55 H new ATOM 0 HB1 ALA A 41 -14.878 10.951 17.320 1.00 63.51 H new ATOM 0 HB2 ALA A 41 -14.217 11.981 18.612 1.00 63.51 H new ATOM 0 HB3 ALA A 41 -13.529 12.059 16.972 1.00 63.51 H new ATOM 621 N ALA A 42 -11.728 9.877 16.053 1.00 32.33 N ATOM 622 CA ALA A 42 -11.346 9.136 14.857 1.00 31.05 C ATOM 623 C ALA A 42 -10.492 7.924 15.212 1.00 23.32 C ATOM 624 O ALA A 42 -10.554 6.891 14.544 1.00 64.21 O ATOM 625 CB ALA A 42 -10.602 10.044 13.890 1.00 64.13 C ATOM 0 H ALA A 42 -11.209 10.743 16.197 1.00 32.33 H new ATOM 0 HA ALA A 42 -12.255 8.778 14.375 1.00 31.05 H new ATOM 0 HB1 ALA A 42 -10.323 9.478 13.001 1.00 64.13 H new ATOM 0 HB2 ALA A 42 -11.246 10.875 13.603 1.00 64.13 H new ATOM 0 HB3 ALA A 42 -9.704 10.430 14.372 1.00 64.13 H new ATOM 631 N LEU A 43 -9.694 8.056 16.266 1.00 34.14 N ATOM 632 CA LEU A 43 -8.826 6.971 16.710 1.00 72.31 C ATOM 633 C LEU A 43 -9.645 5.811 17.266 1.00 34.44 C ATOM 634 O LEU A 43 -9.470 4.663 16.859 1.00 35.41 O ATOM 635 CB LEU A 43 -7.848 7.475 17.772 1.00 13.34 C ATOM 636 CG LEU A 43 -6.581 8.154 17.250 1.00 31.54 C ATOM 637 CD1 LEU A 43 -5.750 8.692 18.404 1.00 10.44 C ATOM 638 CD2 LEU A 43 -5.764 7.183 16.410 1.00 33.10 C ATOM 0 H LEU A 43 -9.630 8.904 16.829 1.00 34.14 H new ATOM 0 HA LEU A 43 -8.263 6.614 15.848 1.00 72.31 H new ATOM 0 HB2 LEU A 43 -8.374 8.179 18.417 1.00 13.34 H new ATOM 0 HB3 LEU A 43 -7.553 6.631 18.395 1.00 13.34 H new ATOM 0 HG LEU A 43 -6.875 8.993 16.619 1.00 31.54 H new ATOM 0 HD11 LEU A 43 -4.853 9.172 18.013 1.00 10.44 H new ATOM 0 HD12 LEU A 43 -6.335 9.420 18.966 1.00 10.44 H new ATOM 0 HD13 LEU A 43 -5.465 7.870 19.061 1.00 10.44 H new ATOM 0 HD21 LEU A 43 -4.866 7.683 16.047 1.00 33.10 H new ATOM 0 HD22 LEU A 43 -5.480 6.325 17.019 1.00 33.10 H new ATOM 0 HD23 LEU A 43 -6.360 6.845 15.562 1.00 33.10 H new ATOM 650 N ALA A 44 -10.541 6.119 18.198 1.00 15.11 N ATOM 651 CA ALA A 44 -11.391 5.103 18.807 1.00 1.23 C ATOM 652 C ALA A 44 -12.228 4.384 17.755 1.00 43.13 C ATOM 653 O ALA A 44 -12.637 3.239 17.949 1.00 42.52 O ATOM 654 CB ALA A 44 -12.291 5.731 19.862 1.00 62.54 C ATOM 0 H ALA A 44 -10.697 7.064 18.548 1.00 15.11 H new ATOM 0 HA ALA A 44 -10.747 4.366 19.286 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -12.920 4.961 20.309 1.00 62.54 H new ATOM 0 HB2 ALA A 44 -11.677 6.192 20.636 1.00 62.54 H new ATOM 0 HB3 ALA A 44 -12.921 6.490 19.398 1.00 62.54 H new ATOM 660 N SER A 45 -12.479 5.063 16.640 1.00 14.21 N ATOM 661 CA SER A 45 -13.272 4.490 15.558 1.00 2.33 C ATOM 662 C SER A 45 -12.391 3.686 14.607 1.00 32.20 C ATOM 663 O SER A 45 -12.731 2.566 14.224 1.00 53.31 O ATOM 664 CB SER A 45 -13.997 5.596 14.788 1.00 20.33 C ATOM 665 OG SER A 45 -15.309 5.788 15.287 1.00 74.11 O ATOM 0 H SER A 45 -12.145 6.010 16.462 1.00 14.21 H new ATOM 0 HA SER A 45 -14.010 3.819 15.997 1.00 2.33 H new ATOM 0 HB2 SER A 45 -13.435 6.527 14.866 1.00 20.33 H new ATOM 0 HB3 SER A 45 -14.041 5.338 13.730 1.00 20.33 H new ATOM 0 HG SER A 45 -15.751 6.501 14.780 1.00 74.11 H new ATOM 671 N LYS A 46 -11.257 4.265 14.229 1.00 25.21 N ATOM 672 CA LYS A 46 -10.324 3.604 13.324 1.00 73.33 C ATOM 673 C LYS A 46 -8.902 4.109 13.543 1.00 21.12 C ATOM 674 O LYS A 46 -8.689 5.135 14.190 1.00 42.34 O ATOM 675 CB LYS A 46 -10.741 3.837 11.870 1.00 51.22 C ATOM 676 CG LYS A 46 -10.439 2.663 10.954 1.00 12.25 C ATOM 677 CD LYS A 46 -9.157 2.884 10.169 1.00 31.43 C ATOM 678 CE LYS A 46 -9.445 3.205 8.711 1.00 60.02 C ATOM 679 NZ LYS A 46 -10.214 2.118 8.045 1.00 71.34 N ATOM 0 H LYS A 46 -10.961 5.192 14.536 1.00 25.21 H new ATOM 0 HA LYS A 46 -10.347 2.535 13.536 1.00 73.33 H new ATOM 0 HB2 LYS A 46 -11.810 4.047 11.837 1.00 51.22 H new ATOM 0 HB3 LYS A 46 -10.230 4.723 11.492 1.00 51.22 H new ATOM 0 HG2 LYS A 46 -10.352 1.752 11.546 1.00 12.25 H new ATOM 0 HG3 LYS A 46 -11.269 2.516 10.263 1.00 12.25 H new ATOM 0 HD2 LYS A 46 -8.591 3.700 10.617 1.00 31.43 H new ATOM 0 HD3 LYS A 46 -8.533 1.992 10.230 1.00 31.43 H new ATOM 0 HE2 LYS A 46 -10.006 4.137 8.648 1.00 60.02 H new ATOM 0 HE3 LYS A 46 -8.505 3.362 8.181 1.00 60.02 H new ATOM 0 HZ1 LYS A 46 -9.958 2.079 7.038 1.00 71.34 H new ATOM 0 HZ2 LYS A 46 -9.989 1.208 8.495 1.00 71.34 H new ATOM 0 HZ3 LYS A 46 -11.233 2.307 8.136 1.00 71.34 H new ATOM 693 N THR A 47 -7.930 3.382 13.000 1.00 50.41 N ATOM 694 CA THR A 47 -6.528 3.757 13.136 1.00 12.01 C ATOM 695 C THR A 47 -5.914 4.091 11.781 1.00 12.14 C ATOM 696 O THR A 47 -6.029 3.334 10.817 1.00 3.13 O ATOM 697 CB THR A 47 -5.708 2.633 13.796 1.00 63.54 C ATOM 698 OG1 THR A 47 -5.456 1.589 12.848 1.00 40.23 O ATOM 699 CG2 THR A 47 -6.441 2.063 15.001 1.00 4.50 C ATOM 0 H THR A 47 -8.088 2.530 12.462 1.00 50.41 H new ATOM 0 HA THR A 47 -6.497 4.641 13.773 1.00 12.01 H new ATOM 0 HB THR A 47 -4.761 3.055 14.133 1.00 63.54 H new ATOM 0 HG1 THR A 47 -4.933 0.879 13.275 1.00 40.23 H new ATOM 0 HG21 THR A 47 -5.842 1.271 15.450 1.00 4.50 H new ATOM 0 HG22 THR A 47 -6.606 2.853 15.734 1.00 4.50 H new ATOM 0 HG23 THR A 47 -7.401 1.656 14.684 1.00 4.50 H new ATOM 707 N PRO A 48 -5.246 5.251 11.704 1.00 44.32 N ATOM 708 CA PRO A 48 -4.599 5.711 10.471 1.00 1.33 C ATOM 709 C PRO A 48 -3.379 4.871 10.108 1.00 11.34 C ATOM 710 O PRO A 48 -3.131 3.827 10.711 1.00 32.13 O ATOM 711 CB PRO A 48 -4.181 7.146 10.804 1.00 25.43 C ATOM 712 CG PRO A 48 -4.039 7.164 12.287 1.00 15.52 C ATOM 713 CD PRO A 48 -5.069 6.203 12.813 1.00 11.24 C ATOM 0 HA PRO A 48 -5.262 5.635 9.610 1.00 1.33 H new ATOM 0 HB2 PRO A 48 -3.244 7.410 10.313 1.00 25.43 H new ATOM 0 HB3 PRO A 48 -4.929 7.864 10.469 1.00 25.43 H new ATOM 0 HG2 PRO A 48 -3.035 6.863 12.587 1.00 15.52 H new ATOM 0 HG3 PRO A 48 -4.202 8.166 12.683 1.00 15.52 H new ATOM 0 HD2 PRO A 48 -4.727 5.704 13.720 1.00 11.24 H new ATOM 0 HD3 PRO A 48 -6.002 6.710 13.060 1.00 11.24 H new ATOM 721 N ASP A 49 -2.621 5.334 9.121 1.00 62.13 N ATOM 722 CA ASP A 49 -1.425 4.625 8.678 1.00 12.55 C ATOM 723 C ASP A 49 -0.167 5.279 9.241 1.00 41.43 C ATOM 724 O ASP A 49 0.906 4.675 9.256 1.00 15.22 O ATOM 725 CB ASP A 49 -1.360 4.595 7.151 1.00 52.33 C ATOM 726 CG ASP A 49 -0.988 3.227 6.614 1.00 41.10 C ATOM 727 OD1 ASP A 49 -0.348 2.452 7.356 1.00 52.21 O ATOM 728 OD2 ASP A 49 -1.337 2.931 5.452 1.00 20.14 O ATOM 0 H ASP A 49 -2.813 6.197 8.612 1.00 62.13 H new ATOM 0 HA ASP A 49 -1.479 3.602 9.051 1.00 12.55 H new ATOM 0 HB2 ASP A 49 -2.326 4.892 6.743 1.00 52.33 H new ATOM 0 HB3 ASP A 49 -0.630 5.328 6.807 1.00 52.33 H new ATOM 733 N VAL A 50 -0.305 6.519 9.701 1.00 34.31 N ATOM 734 CA VAL A 50 0.820 7.255 10.264 1.00 11.23 C ATOM 735 C VAL A 50 0.402 8.660 10.686 1.00 70.45 C ATOM 736 O VAL A 50 0.073 9.499 9.847 1.00 52.25 O ATOM 737 CB VAL A 50 1.983 7.357 9.260 1.00 41.21 C ATOM 738 CG1 VAL A 50 1.487 7.874 7.918 1.00 34.02 C ATOM 739 CG2 VAL A 50 3.085 8.250 9.810 1.00 13.40 C ATOM 0 H VAL A 50 -1.185 7.034 9.695 1.00 34.31 H new ATOM 0 HA VAL A 50 1.154 6.700 11.140 1.00 11.23 H new ATOM 0 HB VAL A 50 2.397 6.360 9.108 1.00 41.21 H new ATOM 0 HG11 VAL A 50 2.323 7.939 7.222 1.00 34.02 H new ATOM 0 HG12 VAL A 50 0.736 7.192 7.520 1.00 34.02 H new ATOM 0 HG13 VAL A 50 1.046 8.862 8.049 1.00 34.02 H new ATOM 0 HG21 VAL A 50 3.899 8.311 9.087 1.00 13.40 H new ATOM 0 HG22 VAL A 50 2.687 9.248 9.993 1.00 13.40 H new ATOM 0 HG23 VAL A 50 3.460 7.832 10.744 1.00 13.40 H new ATOM 749 N LEU A 51 0.418 8.909 11.990 1.00 13.02 N ATOM 750 CA LEU A 51 0.041 10.213 12.524 1.00 12.24 C ATOM 751 C LEU A 51 1.254 10.938 13.098 1.00 42.25 C ATOM 752 O LEU A 51 2.169 10.312 13.633 1.00 24.33 O ATOM 753 CB LEU A 51 -1.030 10.053 13.605 1.00 2.53 C ATOM 754 CG LEU A 51 -1.918 11.273 13.855 1.00 32.43 C ATOM 755 CD1 LEU A 51 -3.376 10.855 13.976 1.00 4.24 C ATOM 756 CD2 LEU A 51 -1.468 12.013 15.106 1.00 1.11 C ATOM 0 H LEU A 51 0.688 8.226 12.697 1.00 13.02 H new ATOM 0 HA LEU A 51 -0.363 10.810 11.706 1.00 12.24 H new ATOM 0 HB2 LEU A 51 -1.669 9.213 13.334 1.00 2.53 H new ATOM 0 HB3 LEU A 51 -0.537 9.789 14.541 1.00 2.53 H new ATOM 0 HG LEU A 51 -1.824 11.948 13.004 1.00 32.43 H new ATOM 0 HD11 LEU A 51 -3.993 11.736 14.154 1.00 4.24 H new ATOM 0 HD12 LEU A 51 -3.693 10.370 13.053 1.00 4.24 H new ATOM 0 HD13 LEU A 51 -3.487 10.160 14.808 1.00 4.24 H new ATOM 0 HD21 LEU A 51 -2.111 12.878 15.268 1.00 1.11 H new ATOM 0 HD22 LEU A 51 -1.533 11.346 15.966 1.00 1.11 H new ATOM 0 HD23 LEU A 51 -0.437 12.345 14.981 1.00 1.11 H new ATOM 768 N LEU A 52 1.254 12.262 12.983 1.00 23.33 N ATOM 769 CA LEU A 52 2.354 13.073 13.492 1.00 4.44 C ATOM 770 C LEU A 52 1.934 13.836 14.744 1.00 1.55 C ATOM 771 O LEU A 52 1.548 15.003 14.672 1.00 33.02 O ATOM 772 CB LEU A 52 2.830 14.054 12.419 1.00 14.30 C ATOM 773 CG LEU A 52 3.513 13.435 11.199 1.00 13.11 C ATOM 774 CD1 LEU A 52 2.645 13.599 9.961 1.00 41.41 C ATOM 775 CD2 LEU A 52 4.882 14.061 10.980 1.00 43.02 C ATOM 0 H LEU A 52 0.505 12.796 12.542 1.00 23.33 H new ATOM 0 HA LEU A 52 3.174 12.405 13.754 1.00 4.44 H new ATOM 0 HB2 LEU A 52 1.971 14.631 12.076 1.00 14.30 H new ATOM 0 HB3 LEU A 52 3.523 14.758 12.880 1.00 14.30 H new ATOM 0 HG LEU A 52 3.648 12.369 11.384 1.00 13.11 H new ATOM 0 HD11 LEU A 52 3.147 13.153 9.103 1.00 41.41 H new ATOM 0 HD12 LEU A 52 1.687 13.103 10.120 1.00 41.41 H new ATOM 0 HD13 LEU A 52 2.477 14.659 9.772 1.00 41.41 H new ATOM 0 HD21 LEU A 52 5.354 13.609 10.108 1.00 43.02 H new ATOM 0 HD22 LEU A 52 4.770 15.133 10.817 1.00 43.02 H new ATOM 0 HD23 LEU A 52 5.505 13.891 11.858 1.00 43.02 H new ATOM 787 N SER A 53 2.014 13.170 15.892 1.00 44.41 N ATOM 788 CA SER A 53 1.641 13.785 17.160 1.00 11.24 C ATOM 789 C SER A 53 2.381 15.104 17.364 1.00 61.32 C ATOM 790 O SER A 53 3.556 15.229 17.016 1.00 35.03 O ATOM 791 CB SER A 53 1.941 12.834 18.320 1.00 5.24 C ATOM 792 OG SER A 53 3.288 12.393 18.282 1.00 34.04 O ATOM 0 H SER A 53 2.334 12.205 15.970 1.00 44.41 H new ATOM 0 HA SER A 53 0.571 13.990 17.135 1.00 11.24 H new ATOM 0 HB2 SER A 53 1.746 13.337 19.267 1.00 5.24 H new ATOM 0 HB3 SER A 53 1.272 11.975 18.272 1.00 5.24 H new ATOM 0 HG SER A 53 3.455 11.788 19.034 1.00 34.04 H new ATOM 798 N ASP A 54 1.685 16.084 17.929 1.00 5.11 N ATOM 799 CA ASP A 54 2.276 17.394 18.181 1.00 74.24 C ATOM 800 C ASP A 54 2.255 17.722 19.670 1.00 10.12 C ATOM 801 O ASP A 54 1.200 17.701 20.306 1.00 45.13 O ATOM 802 CB ASP A 54 1.527 18.473 17.397 1.00 13.24 C ATOM 803 CG ASP A 54 2.283 19.787 17.354 1.00 72.51 C ATOM 804 OD1 ASP A 54 3.522 19.762 17.504 1.00 41.34 O ATOM 805 OD2 ASP A 54 1.635 20.839 17.171 1.00 20.30 O ATOM 0 H ASP A 54 0.712 15.997 18.221 1.00 5.11 H new ATOM 0 HA ASP A 54 3.314 17.368 17.848 1.00 74.24 H new ATOM 0 HB2 ASP A 54 1.353 18.124 16.379 1.00 13.24 H new ATOM 0 HB3 ASP A 54 0.549 18.634 17.850 1.00 13.24 H new ATOM 810 N ILE A 55 3.426 18.024 20.221 1.00 61.24 N ATOM 811 CA ILE A 55 3.542 18.356 21.635 1.00 11.20 C ATOM 812 C ILE A 55 3.949 19.813 21.826 1.00 41.33 C ATOM 813 O ILE A 55 4.848 20.120 22.610 1.00 74.15 O ATOM 814 CB ILE A 55 4.567 17.451 22.344 1.00 40.51 C ATOM 815 CG1 ILE A 55 5.835 17.321 21.498 1.00 23.31 C ATOM 816 CG2 ILE A 55 3.964 16.082 22.619 1.00 11.11 C ATOM 817 CD1 ILE A 55 5.791 16.171 20.516 1.00 53.43 C ATOM 0 H ILE A 55 4.308 18.045 19.709 1.00 61.24 H new ATOM 0 HA ILE A 55 2.559 18.195 22.078 1.00 11.20 H new ATOM 0 HB ILE A 55 4.834 17.906 23.298 1.00 40.51 H new ATOM 0 HG12 ILE A 55 5.993 18.250 20.950 1.00 23.31 H new ATOM 0 HG13 ILE A 55 6.692 17.191 22.159 1.00 23.31 H new ATOM 0 HG21 ILE A 55 4.701 15.454 23.120 1.00 11.11 H new ATOM 0 HG22 ILE A 55 3.087 16.192 23.257 1.00 11.11 H new ATOM 0 HG23 ILE A 55 3.672 15.617 21.677 1.00 11.11 H new ATOM 0 HD11 ILE A 55 6.722 16.140 19.951 1.00 53.43 H new ATOM 0 HD12 ILE A 55 5.664 15.234 21.058 1.00 53.43 H new ATOM 0 HD13 ILE A 55 4.955 16.310 19.830 1.00 53.43 H new ATOM 829 N ARG A 56 3.281 20.708 21.105 1.00 32.10 N ATOM 830 CA ARG A 56 3.573 22.133 21.195 1.00 15.52 C ATOM 831 C ARG A 56 2.576 22.945 20.373 1.00 42.43 C ATOM 832 O ARG A 56 2.942 23.573 19.380 1.00 44.43 O ATOM 833 CB ARG A 56 4.997 22.416 20.714 1.00 20.31 C ATOM 834 CG ARG A 56 5.423 23.864 20.887 1.00 14.55 C ATOM 835 CD ARG A 56 6.535 24.238 19.920 1.00 73.01 C ATOM 836 NE ARG A 56 6.014 24.825 18.688 1.00 2.42 N ATOM 837 CZ ARG A 56 5.523 26.057 18.612 1.00 55.00 C ATOM 838 NH1 ARG A 56 5.485 26.827 19.690 1.00 11.35 N ATOM 839 NH2 ARG A 56 5.068 26.521 17.455 1.00 74.41 N ATOM 0 H ARG A 56 2.534 20.471 20.452 1.00 32.10 H new ATOM 0 HA ARG A 56 3.485 22.431 22.240 1.00 15.52 H new ATOM 0 HB2 ARG A 56 5.690 21.775 21.260 1.00 20.31 H new ATOM 0 HB3 ARG A 56 5.076 22.147 19.661 1.00 20.31 H new ATOM 0 HG2 ARG A 56 4.566 24.518 20.727 1.00 14.55 H new ATOM 0 HG3 ARG A 56 5.761 24.025 21.911 1.00 14.55 H new ATOM 0 HD2 ARG A 56 7.211 24.945 20.401 1.00 73.01 H new ATOM 0 HD3 ARG A 56 7.120 23.350 19.680 1.00 73.01 H new ATOM 0 HE ARG A 56 6.028 24.258 17.840 1.00 2.42 H new ATOM 0 HH11 ARG A 56 5.833 26.474 20.581 1.00 11.35 H new ATOM 0 HH12 ARG A 56 5.107 27.773 19.628 1.00 11.35 H new ATOM 0 HH21 ARG A 56 5.095 25.932 16.623 1.00 74.41 H new ATOM 0 HH22 ARG A 56 4.691 27.467 17.398 1.00 74.41 H new ATOM 853 N MET A 57 1.316 22.927 20.793 1.00 33.12 N ATOM 854 CA MET A 57 0.267 23.662 20.096 1.00 71.04 C ATOM 855 C MET A 57 -0.824 24.104 21.066 1.00 51.34 C ATOM 856 O MET A 57 -1.000 23.533 22.142 1.00 75.34 O ATOM 857 CB MET A 57 -0.339 22.799 18.987 1.00 51.30 C ATOM 858 CG MET A 57 -0.564 21.353 19.397 1.00 61.13 C ATOM 859 SD MET A 57 -1.937 20.586 18.514 1.00 3.32 S ATOM 860 CE MET A 57 -2.088 19.038 19.403 1.00 40.35 C ATOM 0 H MET A 57 0.996 22.411 21.613 1.00 33.12 H new ATOM 0 HA MET A 57 0.715 24.551 19.651 1.00 71.04 H new ATOM 0 HB2 MET A 57 -1.290 23.233 18.679 1.00 51.30 H new ATOM 0 HB3 MET A 57 0.319 22.824 18.118 1.00 51.30 H new ATOM 0 HG2 MET A 57 0.346 20.782 19.213 1.00 61.13 H new ATOM 0 HG3 MET A 57 -0.757 21.309 20.469 1.00 61.13 H new ATOM 0 HE1 MET A 57 -2.700 18.345 18.826 1.00 40.35 H new ATOM 0 HE2 MET A 57 -1.098 18.608 19.555 1.00 40.35 H new ATOM 0 HE3 MET A 57 -2.558 19.218 20.370 1.00 40.35 H new ATOM 870 N PRO A 58 -1.574 25.147 20.678 1.00 34.44 N ATOM 871 CA PRO A 58 -2.661 25.688 21.500 1.00 51.12 C ATOM 872 C PRO A 58 -3.851 24.738 21.587 1.00 41.24 C ATOM 873 O PRO A 58 -4.676 24.842 22.493 1.00 1.42 O ATOM 874 CB PRO A 58 -3.055 26.972 20.766 1.00 44.33 C ATOM 875 CG PRO A 58 -2.650 26.739 19.351 1.00 73.11 C ATOM 876 CD PRO A 58 -1.420 25.876 19.409 1.00 50.32 C ATOM 0 HA PRO A 58 -2.350 25.849 22.532 1.00 51.12 H new ATOM 0 HB2 PRO A 58 -4.126 27.161 20.845 1.00 44.33 H new ATOM 0 HB3 PRO A 58 -2.546 27.840 21.186 1.00 44.33 H new ATOM 0 HG2 PRO A 58 -3.446 26.246 18.793 1.00 73.11 H new ATOM 0 HG3 PRO A 58 -2.442 27.681 18.844 1.00 73.11 H new ATOM 0 HD2 PRO A 58 -1.366 25.196 18.559 1.00 50.32 H new ATOM 0 HD3 PRO A 58 -0.509 26.474 19.397 1.00 50.32 H new ATOM 884 N GLY A 59 -3.933 23.811 20.637 1.00 23.01 N ATOM 885 CA GLY A 59 -5.025 22.856 20.625 1.00 32.23 C ATOM 886 C GLY A 59 -5.173 22.128 21.947 1.00 55.22 C ATOM 887 O GLY A 59 -6.023 22.480 22.765 1.00 40.34 O ATOM 0 H GLY A 59 -3.262 23.705 19.876 1.00 23.01 H new ATOM 0 HA2 GLY A 59 -5.955 23.375 20.393 1.00 32.23 H new ATOM 0 HA3 GLY A 59 -4.859 22.129 19.830 1.00 32.23 H new ATOM 891 N MET A 60 -4.346 21.109 22.156 1.00 50.53 N ATOM 892 CA MET A 60 -4.390 20.330 23.388 1.00 42.24 C ATOM 893 C MET A 60 -2.993 19.862 23.784 1.00 34.35 C ATOM 894 O MET A 60 -2.367 20.434 24.676 1.00 4.21 O ATOM 895 CB MET A 60 -5.317 19.125 23.221 1.00 63.41 C ATOM 896 CG MET A 60 -5.312 18.185 24.416 1.00 72.23 C ATOM 897 SD MET A 60 -6.944 17.507 24.772 1.00 35.41 S ATOM 898 CE MET A 60 -6.983 16.111 23.650 1.00 35.24 C ATOM 0 H MET A 60 -3.638 20.804 21.489 1.00 50.53 H new ATOM 0 HA MET A 60 -4.778 20.970 24.181 1.00 42.24 H new ATOM 0 HB2 MET A 60 -6.334 19.480 23.052 1.00 63.41 H new ATOM 0 HB3 MET A 60 -5.021 18.570 22.331 1.00 63.41 H new ATOM 0 HG2 MET A 60 -4.616 17.367 24.227 1.00 72.23 H new ATOM 0 HG3 MET A 60 -4.946 18.720 25.292 1.00 72.23 H new ATOM 0 HE1 MET A 60 -8.018 15.863 23.413 1.00 35.24 H new ATOM 0 HE2 MET A 60 -6.452 16.366 22.733 1.00 35.24 H new ATOM 0 HE3 MET A 60 -6.503 15.253 24.120 1.00 35.24 H new ATOM 908 N ASP A 61 -2.513 18.818 23.118 1.00 43.34 N ATOM 909 CA ASP A 61 -1.190 18.274 23.400 1.00 22.45 C ATOM 910 C ASP A 61 -0.905 17.056 22.526 1.00 41.50 C ATOM 911 O ASP A 61 -1.704 16.700 21.662 1.00 74.52 O ATOM 912 CB ASP A 61 -1.077 17.893 24.878 1.00 44.44 C ATOM 913 CG ASP A 61 -2.290 17.133 25.374 1.00 33.14 C ATOM 914 OD1 ASP A 61 -2.722 16.187 24.682 1.00 34.05 O ATOM 915 OD2 ASP A 61 -2.808 17.483 26.456 1.00 63.15 O ATOM 0 H ASP A 61 -3.020 18.331 22.379 1.00 43.34 H new ATOM 0 HA ASP A 61 -0.452 19.043 23.172 1.00 22.45 H new ATOM 0 HB2 ASP A 61 -0.185 17.284 25.026 1.00 44.44 H new ATOM 0 HB3 ASP A 61 -0.949 18.796 25.474 1.00 44.44 H new ATOM 920 N GLY A 62 0.242 16.424 22.757 1.00 75.55 N ATOM 921 CA GLY A 62 0.612 15.254 21.981 1.00 2.20 C ATOM 922 C GLY A 62 0.730 14.006 22.834 1.00 53.54 C ATOM 923 O GLY A 62 0.865 12.899 22.311 1.00 3.15 O ATOM 0 H GLY A 62 0.921 16.701 23.466 1.00 75.55 H new ATOM 0 HA2 GLY A 62 -0.132 15.089 21.202 1.00 2.20 H new ATOM 0 HA3 GLY A 62 1.562 15.439 21.480 1.00 2.20 H new ATOM 927 N LEU A 63 0.680 14.184 24.149 1.00 34.02 N ATOM 928 CA LEU A 63 0.783 13.063 25.077 1.00 60.00 C ATOM 929 C LEU A 63 -0.574 12.397 25.280 1.00 12.20 C ATOM 930 O LEU A 63 -0.679 11.171 25.294 1.00 52.22 O ATOM 931 CB LEU A 63 1.337 13.538 26.421 1.00 22.34 C ATOM 932 CG LEU A 63 2.836 13.838 26.461 1.00 20.13 C ATOM 933 CD1 LEU A 63 3.221 14.458 27.796 1.00 71.24 C ATOM 934 CD2 LEU A 63 3.641 12.571 26.208 1.00 54.44 C ATOM 0 H LEU A 63 0.569 15.094 24.597 1.00 34.02 H new ATOM 0 HA LEU A 63 1.466 12.330 24.648 1.00 60.00 H new ATOM 0 HB2 LEU A 63 0.799 14.439 26.715 1.00 22.34 H new ATOM 0 HB3 LEU A 63 1.119 12.777 27.170 1.00 22.34 H new ATOM 0 HG LEU A 63 3.065 14.554 25.671 1.00 20.13 H new ATOM 0 HD11 LEU A 63 4.291 14.665 27.806 1.00 71.24 H new ATOM 0 HD12 LEU A 63 2.671 15.388 27.937 1.00 71.24 H new ATOM 0 HD13 LEU A 63 2.977 13.766 28.602 1.00 71.24 H new ATOM 0 HD21 LEU A 63 4.705 12.804 26.240 1.00 54.44 H new ATOM 0 HD22 LEU A 63 3.408 11.832 26.975 1.00 54.44 H new ATOM 0 HD23 LEU A 63 3.387 12.168 25.227 1.00 54.44 H new ATOM 946 N ALA A 64 -1.611 13.214 25.435 1.00 0.01 N ATOM 947 CA ALA A 64 -2.962 12.704 25.633 1.00 52.41 C ATOM 948 C ALA A 64 -3.424 11.891 24.428 1.00 0.42 C ATOM 949 O ALA A 64 -4.217 10.958 24.563 1.00 3.20 O ATOM 950 CB ALA A 64 -3.925 13.852 25.898 1.00 34.24 C ATOM 0 H ALA A 64 -1.541 14.232 25.427 1.00 0.01 H new ATOM 0 HA ALA A 64 -2.952 12.044 26.501 1.00 52.41 H new ATOM 0 HB1 ALA A 64 -4.930 13.457 26.044 1.00 34.24 H new ATOM 0 HB2 ALA A 64 -3.613 14.390 26.793 1.00 34.24 H new ATOM 0 HB3 ALA A 64 -3.923 14.533 25.047 1.00 34.24 H new ATOM 956 N LEU A 65 -2.925 12.251 23.251 1.00 4.31 N ATOM 957 CA LEU A 65 -3.287 11.555 22.021 1.00 3.12 C ATOM 958 C LEU A 65 -2.393 10.339 21.800 1.00 5.32 C ATOM 959 O LEU A 65 -2.868 9.264 21.435 1.00 72.54 O ATOM 960 CB LEU A 65 -3.182 12.503 20.825 1.00 13.35 C ATOM 961 CG LEU A 65 -3.893 12.054 19.548 1.00 30.14 C ATOM 962 CD1 LEU A 65 -5.394 11.966 19.775 1.00 12.35 C ATOM 963 CD2 LEU A 65 -3.580 13.003 18.401 1.00 2.53 C ATOM 0 H LEU A 65 -2.268 13.021 23.122 1.00 4.31 H new ATOM 0 HA LEU A 65 -4.318 11.213 22.116 1.00 3.12 H new ATOM 0 HB2 LEU A 65 -3.584 13.473 21.119 1.00 13.35 H new ATOM 0 HB3 LEU A 65 -2.127 12.652 20.596 1.00 13.35 H new ATOM 0 HG LEU A 65 -3.528 11.062 19.282 1.00 30.14 H new ATOM 0 HD11 LEU A 65 -5.883 11.645 18.855 1.00 12.35 H new ATOM 0 HD12 LEU A 65 -5.601 11.245 20.566 1.00 12.35 H new ATOM 0 HD13 LEU A 65 -5.776 12.944 20.066 1.00 12.35 H new ATOM 0 HD21 LEU A 65 -4.095 12.668 17.501 1.00 2.53 H new ATOM 0 HD22 LEU A 65 -3.916 14.008 18.658 1.00 2.53 H new ATOM 0 HD23 LEU A 65 -2.505 13.015 18.221 1.00 2.53 H new ATOM 975 N LEU A 66 -1.096 10.517 22.026 1.00 24.53 N ATOM 976 CA LEU A 66 -0.134 9.433 21.854 1.00 1.13 C ATOM 977 C LEU A 66 -0.360 8.335 22.888 1.00 31.14 C ATOM 978 O LEU A 66 -0.036 7.170 22.655 1.00 51.35 O ATOM 979 CB LEU A 66 1.294 9.970 21.967 1.00 21.44 C ATOM 980 CG LEU A 66 2.413 8.946 21.771 1.00 1.12 C ATOM 981 CD1 LEU A 66 2.562 8.594 20.299 1.00 23.13 C ATOM 982 CD2 LEU A 66 3.725 9.477 22.330 1.00 23.21 C ATOM 0 H LEU A 66 -0.686 11.401 22.329 1.00 24.53 H new ATOM 0 HA LEU A 66 -0.278 9.006 20.861 1.00 1.13 H new ATOM 0 HB2 LEU A 66 1.422 10.764 21.231 1.00 21.44 H new ATOM 0 HB3 LEU A 66 1.413 10.425 22.950 1.00 21.44 H new ATOM 0 HG LEU A 66 2.150 8.039 22.315 1.00 1.12 H new ATOM 0 HD11 LEU A 66 3.363 7.864 20.179 1.00 23.13 H new ATOM 0 HD12 LEU A 66 1.628 8.172 19.929 1.00 23.13 H new ATOM 0 HD13 LEU A 66 2.803 9.493 19.732 1.00 23.13 H new ATOM 0 HD21 LEU A 66 4.510 8.736 22.182 1.00 23.21 H new ATOM 0 HD22 LEU A 66 3.994 10.398 21.814 1.00 23.21 H new ATOM 0 HD23 LEU A 66 3.612 9.678 23.395 1.00 23.21 H new ATOM 994 N LYS A 67 -0.920 8.713 24.032 1.00 34.13 N ATOM 995 CA LYS A 67 -1.194 7.761 25.102 1.00 32.31 C ATOM 996 C LYS A 67 -2.219 6.722 24.657 1.00 43.00 C ATOM 997 O LYS A 67 -2.318 5.645 25.243 1.00 25.42 O ATOM 998 CB LYS A 67 -1.702 8.493 26.347 1.00 62.44 C ATOM 999 CG LYS A 67 -0.627 8.731 27.393 1.00 61.21 C ATOM 1000 CD LYS A 67 -0.931 9.958 28.236 1.00 52.04 C ATOM 1001 CE LYS A 67 -0.826 9.654 29.722 1.00 23.41 C ATOM 1002 NZ LYS A 67 0.573 9.785 30.217 1.00 34.52 N ATOM 0 H LYS A 67 -1.193 9.673 24.242 1.00 34.13 H new ATOM 0 HA LYS A 67 -0.263 7.248 25.344 1.00 32.31 H new ATOM 0 HB2 LYS A 67 -2.124 9.452 26.047 1.00 62.44 H new ATOM 0 HB3 LYS A 67 -2.510 7.914 26.794 1.00 62.44 H new ATOM 0 HG2 LYS A 67 -0.546 7.856 28.038 1.00 61.21 H new ATOM 0 HG3 LYS A 67 0.338 8.856 26.902 1.00 61.21 H new ATOM 0 HD2 LYS A 67 -0.238 10.759 27.978 1.00 52.04 H new ATOM 0 HD3 LYS A 67 -1.934 10.318 28.007 1.00 52.04 H new ATOM 0 HE2 LYS A 67 -1.473 10.332 30.278 1.00 23.41 H new ATOM 0 HE3 LYS A 67 -1.185 8.643 29.912 1.00 23.41 H new ATOM 0 HZ1 LYS A 67 0.603 9.570 31.234 1.00 34.52 H new ATOM 0 HZ2 LYS A 67 1.186 9.120 29.704 1.00 34.52 H new ATOM 0 HZ3 LYS A 67 0.908 10.757 30.059 1.00 34.52 H new ATOM 1016 N GLN A 68 -2.977 7.053 23.617 1.00 51.31 N ATOM 1017 CA GLN A 68 -3.993 6.148 23.094 1.00 71.23 C ATOM 1018 C GLN A 68 -3.381 5.149 22.117 1.00 52.11 C ATOM 1019 O GLN A 68 -3.537 3.938 22.274 1.00 75.24 O ATOM 1020 CB GLN A 68 -5.105 6.939 22.403 1.00 41.32 C ATOM 1021 CG GLN A 68 -6.325 7.168 23.281 1.00 43.03 C ATOM 1022 CD GLN A 68 -7.627 7.027 22.518 1.00 33.32 C ATOM 1023 OE1 GLN A 68 -8.576 6.405 22.997 1.00 12.23 O ATOM 1024 NE2 GLN A 68 -7.680 7.604 21.324 1.00 40.43 N ATOM 0 H GLN A 68 -2.907 7.941 23.120 1.00 51.31 H new ATOM 0 HA GLN A 68 -4.417 5.596 23.932 1.00 71.23 H new ATOM 0 HB2 GLN A 68 -4.710 7.904 22.086 1.00 41.32 H new ATOM 0 HB3 GLN A 68 -5.411 6.408 21.502 1.00 41.32 H new ATOM 0 HG2 GLN A 68 -6.313 6.456 24.106 1.00 43.03 H new ATOM 0 HG3 GLN A 68 -6.271 8.165 23.719 1.00 43.03 H new ATOM 0 HE21 GLN A 68 -6.870 8.110 20.966 1.00 40.43 H new ATOM 0 HE22 GLN A 68 -8.531 7.542 20.765 1.00 40.43 H new ATOM 1033 N ILE A 69 -2.685 5.665 21.109 1.00 13.05 N ATOM 1034 CA ILE A 69 -2.050 4.818 20.108 1.00 64.01 C ATOM 1035 C ILE A 69 -0.935 3.980 20.724 1.00 21.34 C ATOM 1036 O ILE A 69 -0.555 2.940 20.186 1.00 25.31 O ATOM 1037 CB ILE A 69 -1.469 5.653 18.951 1.00 31.41 C ATOM 1038 CG1 ILE A 69 -0.611 6.795 19.498 1.00 12.42 C ATOM 1039 CG2 ILE A 69 -2.589 6.196 18.076 1.00 62.31 C ATOM 1040 CD1 ILE A 69 0.221 7.486 18.441 1.00 53.25 C ATOM 0 H ILE A 69 -2.547 6.665 20.965 1.00 13.05 H new ATOM 0 HA ILE A 69 -2.824 4.158 19.717 1.00 64.01 H new ATOM 0 HB ILE A 69 -0.836 5.010 18.340 1.00 31.41 H new ATOM 0 HG12 ILE A 69 -1.260 7.529 19.976 1.00 12.42 H new ATOM 0 HG13 ILE A 69 0.050 6.404 20.271 1.00 12.42 H new ATOM 0 HG21 ILE A 69 -2.163 6.784 17.263 1.00 62.31 H new ATOM 0 HG22 ILE A 69 -3.162 5.366 17.662 1.00 62.31 H new ATOM 0 HG23 ILE A 69 -3.245 6.827 18.675 1.00 62.31 H new ATOM 0 HD11 ILE A 69 0.803 8.284 18.901 1.00 53.25 H new ATOM 0 HD12 ILE A 69 0.895 6.765 17.980 1.00 53.25 H new ATOM 0 HD13 ILE A 69 -0.435 7.908 17.680 1.00 53.25 H new ATOM 1052 N LYS A 70 -0.415 4.438 21.858 1.00 34.02 N ATOM 1053 CA LYS A 70 0.654 3.730 22.552 1.00 70.14 C ATOM 1054 C LYS A 70 0.088 2.632 23.446 1.00 24.35 C ATOM 1055 O LYS A 70 0.688 1.567 23.591 1.00 61.11 O ATOM 1056 CB LYS A 70 1.482 4.708 23.388 1.00 65.31 C ATOM 1057 CG LYS A 70 2.508 5.483 22.579 1.00 53.13 C ATOM 1058 CD LYS A 70 3.717 4.627 22.244 1.00 63.41 C ATOM 1059 CE LYS A 70 4.617 5.307 21.223 1.00 14.03 C ATOM 1060 NZ LYS A 70 4.026 5.277 19.856 1.00 25.34 N ATOM 0 H LYS A 70 -0.717 5.298 22.316 1.00 34.02 H new ATOM 0 HA LYS A 70 1.297 3.268 21.803 1.00 70.14 H new ATOM 0 HB2 LYS A 70 0.810 5.413 23.878 1.00 65.31 H new ATOM 0 HB3 LYS A 70 1.995 4.156 24.176 1.00 65.31 H new ATOM 0 HG2 LYS A 70 2.050 5.843 21.658 1.00 53.13 H new ATOM 0 HG3 LYS A 70 2.827 6.361 23.140 1.00 53.13 H new ATOM 0 HD2 LYS A 70 4.284 4.425 23.153 1.00 63.41 H new ATOM 0 HD3 LYS A 70 3.386 3.664 21.854 1.00 63.41 H new ATOM 0 HE2 LYS A 70 4.789 6.341 21.522 1.00 14.03 H new ATOM 0 HE3 LYS A 70 5.589 4.813 21.210 1.00 14.03 H new ATOM 0 HZ1 LYS A 70 4.669 5.750 19.189 1.00 25.34 H new ATOM 0 HZ2 LYS A 70 3.885 4.290 19.560 1.00 25.34 H new ATOM 0 HZ3 LYS A 70 3.110 5.770 19.863 1.00 25.34 H new ATOM 1074 N GLN A 71 -1.069 2.898 24.043 1.00 0.31 N ATOM 1075 CA GLN A 71 -1.715 1.931 24.923 1.00 42.41 C ATOM 1076 C GLN A 71 -2.647 1.017 24.135 1.00 31.44 C ATOM 1077 O GLN A 71 -2.511 -0.206 24.174 1.00 62.31 O ATOM 1078 CB GLN A 71 -2.497 2.653 26.022 1.00 72.14 C ATOM 1079 CG GLN A 71 -1.611 3.328 27.056 1.00 13.01 C ATOM 1080 CD GLN A 71 -1.662 2.640 28.406 1.00 22.10 C ATOM 1081 OE1 GLN A 71 -1.308 1.467 28.532 1.00 41.24 O ATOM 1082 NE2 GLN A 71 -2.103 3.367 29.425 1.00 11.45 N ATOM 0 H GLN A 71 -1.578 3.775 23.934 1.00 0.31 H new ATOM 0 HA GLN A 71 -0.939 1.319 25.382 1.00 42.41 H new ATOM 0 HB2 GLN A 71 -3.143 3.402 25.564 1.00 72.14 H new ATOM 0 HB3 GLN A 71 -3.147 1.937 26.525 1.00 72.14 H new ATOM 0 HG2 GLN A 71 -0.582 3.338 26.696 1.00 13.01 H new ATOM 0 HG3 GLN A 71 -1.919 4.367 27.170 1.00 13.01 H new ATOM 0 HE21 GLN A 71 -2.386 4.335 29.276 1.00 11.45 H new ATOM 0 HE22 GLN A 71 -2.159 2.957 30.357 1.00 11.45 H new ATOM 1091 N ARG A 72 -3.594 1.617 23.422 1.00 12.34 N ATOM 1092 CA ARG A 72 -4.550 0.856 22.627 1.00 12.31 C ATOM 1093 C ARG A 72 -3.832 -0.133 21.714 1.00 31.54 C ATOM 1094 O ARG A 72 -4.119 -1.331 21.732 1.00 42.00 O ATOM 1095 CB ARG A 72 -5.417 1.800 21.792 1.00 42.43 C ATOM 1096 CG ARG A 72 -6.274 2.738 22.626 1.00 54.02 C ATOM 1097 CD ARG A 72 -7.626 2.984 21.975 1.00 74.24 C ATOM 1098 NE ARG A 72 -8.554 3.659 22.878 1.00 74.02 N ATOM 1099 CZ ARG A 72 -9.105 3.076 23.937 1.00 64.41 C ATOM 1100 NH1 ARG A 72 -8.821 1.813 24.224 1.00 30.32 N ATOM 1101 NH2 ARG A 72 -9.940 3.756 24.711 1.00 1.14 N ATOM 0 H ARG A 72 -3.720 2.628 23.379 1.00 12.34 H new ATOM 0 HA ARG A 72 -5.188 0.296 23.310 1.00 12.31 H new ATOM 0 HB2 ARG A 72 -4.773 2.392 21.142 1.00 42.43 H new ATOM 0 HB3 ARG A 72 -6.065 1.208 21.145 1.00 42.43 H new ATOM 0 HG2 ARG A 72 -6.419 2.313 23.619 1.00 54.02 H new ATOM 0 HG3 ARG A 72 -5.754 3.687 22.758 1.00 54.02 H new ATOM 0 HD2 ARG A 72 -7.491 3.587 21.077 1.00 74.24 H new ATOM 0 HD3 ARG A 72 -8.055 2.033 21.659 1.00 74.24 H new ATOM 0 HE ARG A 72 -8.792 4.632 22.685 1.00 74.02 H new ATOM 0 HH11 ARG A 72 -8.178 1.287 23.631 1.00 30.32 H new ATOM 0 HH12 ARG A 72 -9.245 1.367 25.038 1.00 30.32 H new ATOM 0 HH21 ARG A 72 -10.160 4.728 24.494 1.00 1.14 H new ATOM 0 HH22 ARG A 72 -10.362 3.307 25.524 1.00 1.14 H new ATOM 1115 N HIS A 73 -2.898 0.375 20.917 1.00 24.03 N ATOM 1116 CA HIS A 73 -2.138 -0.464 19.997 1.00 32.33 C ATOM 1117 C HIS A 73 -0.873 0.249 19.530 1.00 60.21 C ATOM 1118 O HIS A 73 -0.839 0.873 18.469 1.00 1.12 O ATOM 1119 CB HIS A 73 -2.999 -0.844 18.792 1.00 65.12 C ATOM 1120 CG HIS A 73 -4.056 0.166 18.468 1.00 4.41 C ATOM 1121 ND1 HIS A 73 -5.389 -0.018 18.765 1.00 34.30 N ATOM 1122 CD2 HIS A 73 -3.969 1.378 17.871 1.00 42.00 C ATOM 1123 CE1 HIS A 73 -6.078 1.035 18.363 1.00 4.21 C ATOM 1124 NE2 HIS A 73 -5.239 1.897 17.817 1.00 1.55 N ATOM 0 H HIS A 73 -2.649 1.364 20.889 1.00 24.03 H new ATOM 0 HA HIS A 73 -1.847 -1.371 20.527 1.00 32.33 H new ATOM 0 HB2 HIS A 73 -2.355 -0.975 17.923 1.00 65.12 H new ATOM 0 HB3 HIS A 73 -3.474 -1.806 18.984 1.00 65.12 H new ATOM 0 HD1 HIS A 73 -5.783 -0.840 19.224 1.00 34.30 H new ATOM 0 HD2 HIS A 73 -3.068 1.849 17.505 1.00 42.00 H new ATOM 0 HE1 HIS A 73 -7.145 1.168 18.464 1.00 4.21 H new ATOM 1132 N PRO A 74 0.193 0.156 20.339 1.00 33.11 N ATOM 1133 CA PRO A 74 1.479 0.786 20.029 1.00 4.01 C ATOM 1134 C PRO A 74 2.187 0.113 18.858 1.00 42.20 C ATOM 1135 O PRO A 74 3.222 0.588 18.390 1.00 32.15 O ATOM 1136 CB PRO A 74 2.284 0.602 21.318 1.00 64.51 C ATOM 1137 CG PRO A 74 1.685 -0.596 21.970 1.00 25.44 C ATOM 1138 CD PRO A 74 0.224 -0.572 21.619 1.00 74.02 C ATOM 0 HA PRO A 74 1.361 1.827 19.729 1.00 4.01 H new ATOM 0 HB2 PRO A 74 3.342 0.450 21.106 1.00 64.51 H new ATOM 0 HB3 PRO A 74 2.211 1.480 21.959 1.00 64.51 H new ATOM 0 HG2 PRO A 74 2.157 -1.511 21.613 1.00 25.44 H new ATOM 0 HG3 PRO A 74 1.827 -0.564 23.050 1.00 25.44 H new ATOM 0 HD2 PRO A 74 -0.182 -1.579 21.519 1.00 74.02 H new ATOM 0 HD3 PRO A 74 -0.365 -0.066 22.384 1.00 74.02 H new ATOM 1146 N MET A 75 1.622 -0.994 18.388 1.00 24.45 N ATOM 1147 CA MET A 75 2.200 -1.731 17.270 1.00 34.22 C ATOM 1148 C MET A 75 2.115 -0.919 15.982 1.00 12.51 C ATOM 1149 O MET A 75 2.842 -1.179 15.023 1.00 72.45 O ATOM 1150 CB MET A 75 1.483 -3.071 17.090 1.00 52.31 C ATOM 1151 CG MET A 75 2.410 -4.272 17.177 1.00 34.43 C ATOM 1152 SD MET A 75 1.607 -5.807 16.675 1.00 14.21 S ATOM 1153 CE MET A 75 2.745 -6.390 15.421 1.00 21.14 C ATOM 0 H MET A 75 0.765 -1.400 18.763 1.00 24.45 H new ATOM 0 HA MET A 75 3.251 -1.916 17.493 1.00 34.22 H new ATOM 0 HB2 MET A 75 0.708 -3.164 17.851 1.00 52.31 H new ATOM 0 HB3 MET A 75 0.982 -3.079 16.122 1.00 52.31 H new ATOM 0 HG2 MET A 75 3.282 -4.099 16.546 1.00 34.43 H new ATOM 0 HG3 MET A 75 2.772 -4.373 18.200 1.00 34.43 H new ATOM 0 HE1 MET A 75 2.385 -7.335 15.014 1.00 21.14 H new ATOM 0 HE2 MET A 75 2.814 -5.653 14.621 1.00 21.14 H new ATOM 0 HE3 MET A 75 3.730 -6.538 15.864 1.00 21.14 H new ATOM 1163 N LEU A 76 1.224 0.066 15.967 1.00 53.50 N ATOM 1164 CA LEU A 76 1.044 0.918 14.796 1.00 72.31 C ATOM 1165 C LEU A 76 2.192 1.913 14.665 1.00 41.03 C ATOM 1166 O LEU A 76 2.757 2.380 15.654 1.00 43.23 O ATOM 1167 CB LEU A 76 -0.287 1.666 14.885 1.00 53.14 C ATOM 1168 CG LEU A 76 -0.217 3.101 15.408 1.00 0.01 C ATOM 1169 CD1 LEU A 76 -0.093 4.085 14.255 1.00 73.53 C ATOM 1170 CD2 LEU A 76 -1.440 3.420 16.255 1.00 53.41 C ATOM 0 H LEU A 76 0.615 0.295 16.752 1.00 53.50 H new ATOM 0 HA LEU A 76 1.037 0.281 13.911 1.00 72.31 H new ATOM 0 HB2 LEU A 76 -0.738 1.684 13.893 1.00 53.14 H new ATOM 0 HB3 LEU A 76 -0.958 1.098 15.530 1.00 53.14 H new ATOM 0 HG LEU A 76 0.669 3.196 16.035 1.00 0.01 H new ATOM 0 HD11 LEU A 76 -0.045 5.101 14.647 1.00 73.53 H new ATOM 0 HD12 LEU A 76 0.814 3.871 13.690 1.00 73.53 H new ATOM 0 HD13 LEU A 76 -0.959 3.990 13.601 1.00 73.53 H new ATOM 0 HD21 LEU A 76 -1.373 4.445 16.619 1.00 53.41 H new ATOM 0 HD22 LEU A 76 -2.340 3.307 15.651 1.00 53.41 H new ATOM 0 HD23 LEU A 76 -1.484 2.736 17.103 1.00 53.41 H new ATOM 1182 N PRO A 77 2.545 2.248 13.415 1.00 43.12 N ATOM 1183 CA PRO A 77 3.627 3.194 13.124 1.00 22.45 C ATOM 1184 C PRO A 77 3.266 4.624 13.511 1.00 63.13 C ATOM 1185 O PRO A 77 2.274 5.175 13.034 1.00 61.05 O ATOM 1186 CB PRO A 77 3.803 3.077 11.608 1.00 14.23 C ATOM 1187 CG PRO A 77 2.479 2.611 11.108 1.00 11.05 C ATOM 1188 CD PRO A 77 1.915 1.730 12.189 1.00 41.11 C ATOM 0 HA PRO A 77 4.531 2.967 13.690 1.00 22.45 H new ATOM 0 HB2 PRO A 77 4.078 4.035 11.166 1.00 14.23 H new ATOM 0 HB3 PRO A 77 4.593 2.370 11.355 1.00 14.23 H new ATOM 0 HG2 PRO A 77 1.818 3.455 10.908 1.00 11.05 H new ATOM 0 HG3 PRO A 77 2.586 2.061 10.173 1.00 11.05 H new ATOM 0 HD2 PRO A 77 0.828 1.798 12.236 1.00 41.11 H new ATOM 0 HD3 PRO A 77 2.162 0.681 12.022 1.00 41.11 H new ATOM 1196 N VAL A 78 4.078 5.221 14.377 1.00 22.25 N ATOM 1197 CA VAL A 78 3.845 6.588 14.827 1.00 42.24 C ATOM 1198 C VAL A 78 5.111 7.430 14.705 1.00 35.20 C ATOM 1199 O VAL A 78 6.219 6.936 14.916 1.00 12.41 O ATOM 1200 CB VAL A 78 3.356 6.624 16.287 1.00 64.22 C ATOM 1201 CG1 VAL A 78 3.153 8.059 16.747 1.00 11.21 C ATOM 1202 CG2 VAL A 78 2.074 5.820 16.439 1.00 62.52 C ATOM 0 H VAL A 78 4.904 4.779 14.781 1.00 22.25 H new ATOM 0 HA VAL A 78 3.071 7.005 14.183 1.00 42.24 H new ATOM 0 HB VAL A 78 4.119 6.170 16.919 1.00 64.22 H new ATOM 0 HG11 VAL A 78 2.807 8.064 17.781 1.00 11.21 H new ATOM 0 HG12 VAL A 78 4.096 8.600 16.677 1.00 11.21 H new ATOM 0 HG13 VAL A 78 2.409 8.542 16.113 1.00 11.21 H new ATOM 0 HG21 VAL A 78 1.743 5.856 17.477 1.00 62.52 H new ATOM 0 HG22 VAL A 78 1.301 6.242 15.796 1.00 62.52 H new ATOM 0 HG23 VAL A 78 2.258 4.784 16.153 1.00 62.52 H new ATOM 1212 N ILE A 79 4.938 8.702 14.364 1.00 15.30 N ATOM 1213 CA ILE A 79 6.066 9.613 14.216 1.00 11.20 C ATOM 1214 C ILE A 79 5.871 10.870 15.057 1.00 43.53 C ATOM 1215 O ILE A 79 4.798 11.474 15.049 1.00 2.32 O ATOM 1216 CB ILE A 79 6.272 10.020 12.745 1.00 60.31 C ATOM 1217 CG1 ILE A 79 6.277 8.781 11.847 1.00 63.03 C ATOM 1218 CG2 ILE A 79 7.568 10.800 12.588 1.00 45.12 C ATOM 1219 CD1 ILE A 79 6.369 9.104 10.372 1.00 42.41 C ATOM 0 H ILE A 79 4.027 9.125 14.185 1.00 15.30 H new ATOM 0 HA ILE A 79 6.950 9.079 14.564 1.00 11.20 H new ATOM 0 HB ILE A 79 5.445 10.663 12.441 1.00 60.31 H new ATOM 0 HG12 ILE A 79 7.117 8.145 12.124 1.00 63.03 H new ATOM 0 HG13 ILE A 79 5.369 8.207 12.029 1.00 63.03 H new ATOM 0 HG21 ILE A 79 7.700 11.081 11.543 1.00 45.12 H new ATOM 0 HG22 ILE A 79 7.528 11.699 13.203 1.00 45.12 H new ATOM 0 HG23 ILE A 79 8.406 10.180 12.906 1.00 45.12 H new ATOM 0 HD11 ILE A 79 6.368 8.179 9.796 1.00 42.41 H new ATOM 0 HD12 ILE A 79 5.515 9.715 10.079 1.00 42.41 H new ATOM 0 HD13 ILE A 79 7.291 9.652 10.176 1.00 42.41 H new ATOM 1231 N ILE A 80 6.916 11.260 15.779 1.00 43.10 N ATOM 1232 CA ILE A 80 6.861 12.447 16.623 1.00 42.54 C ATOM 1233 C ILE A 80 7.215 13.701 15.831 1.00 43.55 C ATOM 1234 O ILE A 80 8.285 13.785 15.227 1.00 13.44 O ATOM 1235 CB ILE A 80 7.815 12.328 17.826 1.00 33.31 C ATOM 1236 CG1 ILE A 80 7.693 10.943 18.465 1.00 64.32 C ATOM 1237 CG2 ILE A 80 7.518 13.416 18.847 1.00 31.32 C ATOM 1238 CD1 ILE A 80 6.289 10.605 18.912 1.00 35.52 C ATOM 0 H ILE A 80 7.811 10.771 15.796 1.00 43.10 H new ATOM 0 HA ILE A 80 5.837 12.527 16.988 1.00 42.54 H new ATOM 0 HB ILE A 80 8.839 12.457 17.474 1.00 33.31 H new ATOM 0 HG12 ILE A 80 8.029 10.191 17.751 1.00 64.32 H new ATOM 0 HG13 ILE A 80 8.362 10.888 19.324 1.00 64.32 H new ATOM 0 HG21 ILE A 80 8.200 13.319 19.691 1.00 31.32 H new ATOM 0 HG22 ILE A 80 7.650 14.394 18.385 1.00 31.32 H new ATOM 0 HG23 ILE A 80 6.491 13.316 19.197 1.00 31.32 H new ATOM 0 HD11 ILE A 80 6.278 9.609 19.355 1.00 35.52 H new ATOM 0 HD12 ILE A 80 5.957 11.335 19.651 1.00 35.52 H new ATOM 0 HD13 ILE A 80 5.618 10.627 18.053 1.00 35.52 H new ATOM 1250 N MET A 81 6.311 14.675 15.839 1.00 75.15 N ATOM 1251 CA MET A 81 6.529 15.927 15.123 1.00 20.30 C ATOM 1252 C MET A 81 6.322 17.124 16.046 1.00 70.42 C ATOM 1253 O MET A 81 5.248 17.297 16.624 1.00 44.33 O ATOM 1254 CB MET A 81 5.586 16.024 13.923 1.00 54.24 C ATOM 1255 CG MET A 81 5.523 17.414 13.310 1.00 12.13 C ATOM 1256 SD MET A 81 3.949 18.238 13.619 1.00 42.53 S ATOM 1257 CE MET A 81 2.846 17.249 12.612 1.00 11.44 C ATOM 0 H MET A 81 5.420 14.622 16.333 1.00 75.15 H new ATOM 0 HA MET A 81 7.559 15.939 14.767 1.00 20.30 H new ATOM 0 HB2 MET A 81 5.907 15.314 13.161 1.00 54.24 H new ATOM 0 HB3 MET A 81 4.584 15.727 14.234 1.00 54.24 H new ATOM 0 HG2 MET A 81 6.333 18.022 13.714 1.00 12.13 H new ATOM 0 HG3 MET A 81 5.685 17.340 12.235 1.00 12.13 H new ATOM 0 HE1 MET A 81 2.136 17.901 12.103 1.00 11.44 H new ATOM 0 HE2 MET A 81 3.426 16.696 11.873 1.00 11.44 H new ATOM 0 HE3 MET A 81 2.304 16.548 13.247 1.00 11.44 H new ATOM 1267 N THR A 82 7.357 17.947 16.181 1.00 53.55 N ATOM 1268 CA THR A 82 7.289 19.127 17.034 1.00 75.20 C ATOM 1269 C THR A 82 8.581 19.932 16.963 1.00 11.13 C ATOM 1270 O THR A 82 9.452 19.655 16.139 1.00 31.34 O ATOM 1271 CB THR A 82 7.015 18.744 18.501 1.00 62.23 C ATOM 1272 OG1 THR A 82 6.616 19.901 19.243 1.00 55.30 O ATOM 1273 CG2 THR A 82 8.251 18.128 19.139 1.00 44.14 C ATOM 0 H THR A 82 8.253 17.818 15.710 1.00 53.55 H new ATOM 0 HA THR A 82 6.464 19.737 16.665 1.00 75.20 H new ATOM 0 HB THR A 82 6.211 18.008 18.517 1.00 62.23 H new ATOM 0 HG1 THR A 82 7.148 19.963 20.064 1.00 55.30 H new ATOM 0 HG21 THR A 82 8.034 17.866 20.174 1.00 44.14 H new ATOM 0 HG22 THR A 82 8.535 17.231 18.589 1.00 44.14 H new ATOM 0 HG23 THR A 82 9.071 18.846 19.111 1.00 44.14 H new ATOM 1281 N ALA A 83 8.699 20.930 17.833 1.00 41.21 N ATOM 1282 CA ALA A 83 9.887 21.774 17.870 1.00 10.05 C ATOM 1283 C ALA A 83 10.706 21.513 19.130 1.00 11.52 C ATOM 1284 O ALA A 83 10.542 20.485 19.788 1.00 53.40 O ATOM 1285 CB ALA A 83 9.495 23.242 17.788 1.00 74.31 C ATOM 0 H ALA A 83 7.987 21.174 18.521 1.00 41.21 H new ATOM 0 HA ALA A 83 10.506 21.526 17.007 1.00 10.05 H new ATOM 0 HB1 ALA A 83 10.392 23.860 17.817 1.00 74.31 H new ATOM 0 HB2 ALA A 83 8.959 23.424 16.857 1.00 74.31 H new ATOM 0 HB3 ALA A 83 8.853 23.495 18.632 1.00 74.31 H new ATOM 1291 N HIS A 84 11.589 22.450 19.461 1.00 52.51 N ATOM 1292 CA HIS A 84 12.434 22.322 20.643 1.00 71.43 C ATOM 1293 C HIS A 84 11.587 22.204 21.906 1.00 32.12 C ATOM 1294 O HIS A 84 12.077 21.792 22.958 1.00 73.35 O ATOM 1295 CB HIS A 84 13.375 23.521 20.756 1.00 44.03 C ATOM 1296 CG HIS A 84 12.688 24.785 21.172 1.00 71.04 C ATOM 1297 ND1 HIS A 84 13.077 25.529 22.265 1.00 23.35 N ATOM 1298 CD2 HIS A 84 11.631 25.437 20.632 1.00 23.22 C ATOM 1299 CE1 HIS A 84 12.289 26.582 22.382 1.00 50.30 C ATOM 1300 NE2 HIS A 84 11.403 26.550 21.403 1.00 42.33 N ATOM 0 H HIS A 84 11.738 23.306 18.927 1.00 52.51 H new ATOM 0 HA HIS A 84 13.027 21.413 20.538 1.00 71.43 H new ATOM 0 HB2 HIS A 84 14.160 23.290 21.476 1.00 44.03 H new ATOM 0 HB3 HIS A 84 13.862 23.682 19.794 1.00 44.03 H new ATOM 0 HD2 HIS A 84 11.072 25.137 19.758 1.00 23.22 H new ATOM 0 HE1 HIS A 84 12.357 27.340 23.148 1.00 50.30 H new ATOM 0 HE2 HIS A 84 10.669 27.240 21.245 1.00 42.33 H new ATOM 1308 N SER A 85 10.314 22.570 21.796 1.00 73.45 N ATOM 1309 CA SER A 85 9.400 22.509 22.930 1.00 13.41 C ATOM 1310 C SER A 85 9.522 21.173 23.656 1.00 73.13 C ATOM 1311 O SER A 85 9.370 21.100 24.875 1.00 33.12 O ATOM 1312 CB SER A 85 7.958 22.719 22.463 1.00 42.15 C ATOM 1313 OG SER A 85 7.040 22.476 23.514 1.00 23.24 O ATOM 0 H SER A 85 9.892 22.912 20.933 1.00 73.45 H new ATOM 0 HA SER A 85 9.669 23.305 23.624 1.00 13.41 H new ATOM 0 HB2 SER A 85 7.836 23.739 22.098 1.00 42.15 H new ATOM 0 HB3 SER A 85 7.743 22.053 21.627 1.00 42.15 H new ATOM 0 HG SER A 85 6.635 23.322 23.797 1.00 23.24 H new ATOM 1319 N ASP A 86 9.797 20.118 22.897 1.00 51.04 N ATOM 1320 CA ASP A 86 9.941 18.783 23.466 1.00 53.12 C ATOM 1321 C ASP A 86 10.746 17.880 22.537 1.00 42.12 C ATOM 1322 O ASP A 86 10.267 16.831 22.104 1.00 41.22 O ATOM 1323 CB ASP A 86 8.566 18.167 23.730 1.00 11.30 C ATOM 1324 CG ASP A 86 8.017 18.539 25.094 1.00 43.25 C ATOM 1325 OD1 ASP A 86 8.811 18.600 26.055 1.00 20.04 O ATOM 1326 OD2 ASP A 86 6.794 18.769 25.199 1.00 60.41 O ATOM 0 H ASP A 86 9.925 20.161 21.886 1.00 51.04 H new ATOM 0 HA ASP A 86 10.478 18.874 24.410 1.00 53.12 H new ATOM 0 HB2 ASP A 86 7.869 18.496 22.959 1.00 11.30 H new ATOM 0 HB3 ASP A 86 8.636 17.082 23.653 1.00 11.30 H new ATOM 1331 N LEU A 87 11.971 18.295 22.233 1.00 23.53 N ATOM 1332 CA LEU A 87 12.844 17.524 21.354 1.00 31.33 C ATOM 1333 C LEU A 87 13.480 16.358 22.105 1.00 43.05 C ATOM 1334 O LEU A 87 13.885 15.365 21.500 1.00 34.42 O ATOM 1335 CB LEU A 87 13.933 18.423 20.768 1.00 4.30 C ATOM 1336 CG LEU A 87 15.102 17.707 20.089 1.00 12.44 C ATOM 1337 CD1 LEU A 87 14.632 16.993 18.832 1.00 42.35 C ATOM 1338 CD2 LEU A 87 16.214 18.693 19.762 1.00 55.43 C ATOM 0 H LEU A 87 12.382 19.161 22.582 1.00 23.53 H new ATOM 0 HA LEU A 87 12.238 17.122 20.542 1.00 31.33 H new ATOM 0 HB2 LEU A 87 13.472 19.092 20.042 1.00 4.30 H new ATOM 0 HB3 LEU A 87 14.331 19.047 21.568 1.00 4.30 H new ATOM 0 HG LEU A 87 15.497 16.961 20.779 1.00 12.44 H new ATOM 0 HD11 LEU A 87 15.477 16.489 18.362 1.00 42.35 H new ATOM 0 HD12 LEU A 87 13.871 16.258 19.094 1.00 42.35 H new ATOM 0 HD13 LEU A 87 14.211 17.719 18.137 1.00 42.35 H new ATOM 0 HD21 LEU A 87 17.037 18.166 19.280 1.00 55.43 H new ATOM 0 HD22 LEU A 87 15.832 19.462 19.091 1.00 55.43 H new ATOM 0 HD23 LEU A 87 16.570 19.158 20.681 1.00 55.43 H new ATOM 1350 N ASP A 88 13.564 16.486 23.424 1.00 32.31 N ATOM 1351 CA ASP A 88 14.148 15.441 24.258 1.00 53.41 C ATOM 1352 C ASP A 88 13.440 14.109 24.035 1.00 34.31 C ATOM 1353 O ASP A 88 14.042 13.044 24.170 1.00 44.34 O ATOM 1354 CB ASP A 88 14.069 15.834 25.734 1.00 44.20 C ATOM 1355 CG ASP A 88 15.249 16.680 26.172 1.00 63.45 C ATOM 1356 OD1 ASP A 88 16.387 16.166 26.149 1.00 42.32 O ATOM 1357 OD2 ASP A 88 15.035 17.854 26.538 1.00 54.44 O ATOM 0 H ASP A 88 13.235 17.303 23.939 1.00 32.31 H new ATOM 0 HA ASP A 88 15.195 15.327 23.976 1.00 53.41 H new ATOM 0 HB2 ASP A 88 13.145 16.385 25.911 1.00 44.20 H new ATOM 0 HB3 ASP A 88 14.025 14.933 26.345 1.00 44.20 H new ATOM 1362 N ALA A 89 12.157 14.176 23.695 1.00 73.33 N ATOM 1363 CA ALA A 89 11.367 12.975 23.453 1.00 71.25 C ATOM 1364 C ALA A 89 11.782 12.298 22.150 1.00 12.24 C ATOM 1365 O ALA A 89 11.534 11.109 21.951 1.00 0.43 O ATOM 1366 CB ALA A 89 9.884 13.315 23.424 1.00 42.24 C ATOM 0 H ALA A 89 11.643 15.049 23.581 1.00 73.33 H new ATOM 0 HA ALA A 89 11.553 12.278 24.270 1.00 71.25 H new ATOM 0 HB1 ALA A 89 9.306 12.409 23.242 1.00 42.24 H new ATOM 0 HB2 ALA A 89 9.591 13.746 24.381 1.00 42.24 H new ATOM 0 HB3 ALA A 89 9.691 14.034 22.628 1.00 42.24 H new ATOM 1372 N ALA A 90 12.414 13.064 21.267 1.00 73.45 N ATOM 1373 CA ALA A 90 12.864 12.537 19.984 1.00 11.20 C ATOM 1374 C ALA A 90 13.736 11.301 20.174 1.00 63.12 C ATOM 1375 O ALA A 90 13.738 10.396 19.339 1.00 31.23 O ATOM 1376 CB ALA A 90 13.622 13.607 19.211 1.00 33.43 C ATOM 0 H ALA A 90 12.626 14.051 21.416 1.00 73.45 H new ATOM 0 HA ALA A 90 11.985 12.244 19.410 1.00 11.20 H new ATOM 0 HB1 ALA A 90 13.952 13.200 18.255 1.00 33.43 H new ATOM 0 HB2 ALA A 90 12.968 14.461 19.035 1.00 33.43 H new ATOM 0 HB3 ALA A 90 14.489 13.927 19.788 1.00 33.43 H new ATOM 1382 N VAL A 91 14.478 11.269 21.276 1.00 1.24 N ATOM 1383 CA VAL A 91 15.355 10.143 21.576 1.00 51.42 C ATOM 1384 C VAL A 91 14.598 9.034 22.298 1.00 2.52 C ATOM 1385 O VAL A 91 14.581 7.888 21.851 1.00 34.30 O ATOM 1386 CB VAL A 91 16.553 10.580 22.440 1.00 60.51 C ATOM 1387 CG1 VAL A 91 17.569 9.453 22.552 1.00 42.25 C ATOM 1388 CG2 VAL A 91 17.195 11.833 21.865 1.00 4.15 C ATOM 0 H VAL A 91 14.489 12.010 21.976 1.00 1.24 H new ATOM 0 HA VAL A 91 15.723 9.765 20.622 1.00 51.42 H new ATOM 0 HB VAL A 91 16.192 10.812 23.442 1.00 60.51 H new ATOM 0 HG11 VAL A 91 18.408 9.780 23.166 1.00 42.25 H new ATOM 0 HG12 VAL A 91 17.099 8.584 23.013 1.00 42.25 H new ATOM 0 HG13 VAL A 91 17.928 9.187 21.558 1.00 42.25 H new ATOM 0 HG21 VAL A 91 18.040 12.128 22.488 1.00 4.15 H new ATOM 0 HG22 VAL A 91 17.544 11.631 20.852 1.00 4.15 H new ATOM 0 HG23 VAL A 91 16.462 12.640 21.842 1.00 4.15 H new ATOM 1398 N SER A 92 13.973 9.384 23.418 1.00 43.31 N ATOM 1399 CA SER A 92 13.217 8.418 24.205 1.00 32.41 C ATOM 1400 C SER A 92 12.214 7.671 23.331 1.00 54.31 C ATOM 1401 O SER A 92 12.040 6.460 23.462 1.00 12.11 O ATOM 1402 CB SER A 92 12.487 9.121 25.351 1.00 24.25 C ATOM 1403 OG SER A 92 11.824 8.185 26.184 1.00 41.31 O ATOM 0 H SER A 92 13.976 10.330 23.800 1.00 43.31 H new ATOM 0 HA SER A 92 13.920 7.696 24.620 1.00 32.41 H new ATOM 0 HB2 SER A 92 13.200 9.697 25.941 1.00 24.25 H new ATOM 0 HB3 SER A 92 11.763 9.828 24.946 1.00 24.25 H new ATOM 0 HG SER A 92 11.366 8.659 26.909 1.00 41.31 H new ATOM 1409 N ALA A 93 11.556 8.404 22.438 1.00 12.24 N ATOM 1410 CA ALA A 93 10.571 7.813 21.541 1.00 64.23 C ATOM 1411 C ALA A 93 11.150 6.605 20.811 1.00 53.34 C ATOM 1412 O ALA A 93 10.505 5.561 20.710 1.00 51.33 O ATOM 1413 CB ALA A 93 10.078 8.849 20.542 1.00 11.21 C ATOM 0 H ALA A 93 11.688 9.408 22.317 1.00 12.24 H new ATOM 0 HA ALA A 93 9.727 7.473 22.141 1.00 64.23 H new ATOM 0 HB1 ALA A 93 9.343 8.394 19.878 1.00 11.21 H new ATOM 0 HB2 ALA A 93 9.618 9.680 21.077 1.00 11.21 H new ATOM 0 HB3 ALA A 93 10.919 9.217 19.954 1.00 11.21 H new ATOM 1419 N TYR A 94 12.368 6.755 20.303 1.00 71.14 N ATOM 1420 CA TYR A 94 13.032 5.677 19.579 1.00 53.23 C ATOM 1421 C TYR A 94 13.109 4.415 20.432 1.00 71.33 C ATOM 1422 O TYR A 94 12.753 3.326 19.981 1.00 2.20 O ATOM 1423 CB TYR A 94 14.438 6.108 19.157 1.00 15.11 C ATOM 1424 CG TYR A 94 14.452 7.072 17.993 1.00 54.25 C ATOM 1425 CD1 TYR A 94 13.725 6.808 16.838 1.00 12.20 C ATOM 1426 CD2 TYR A 94 15.192 8.246 18.046 1.00 43.50 C ATOM 1427 CE1 TYR A 94 13.735 7.686 15.771 1.00 21.31 C ATOM 1428 CE2 TYR A 94 15.207 9.130 16.985 1.00 43.45 C ATOM 1429 CZ TYR A 94 14.477 8.846 15.849 1.00 24.44 C ATOM 1430 OH TYR A 94 14.491 9.723 14.789 1.00 31.13 O ATOM 0 H TYR A 94 12.916 7.612 20.379 1.00 71.14 H new ATOM 0 HA TYR A 94 12.444 5.456 18.688 1.00 53.23 H new ATOM 0 HB2 TYR A 94 14.937 6.572 20.008 1.00 15.11 H new ATOM 0 HB3 TYR A 94 15.016 5.223 18.892 1.00 15.11 H new ATOM 0 HD1 TYR A 94 13.142 5.901 16.773 1.00 12.20 H new ATOM 0 HD2 TYR A 94 15.766 8.472 18.933 1.00 43.50 H new ATOM 0 HE1 TYR A 94 13.165 7.465 14.881 1.00 21.31 H new ATOM 0 HE2 TYR A 94 15.787 10.039 17.044 1.00 43.45 H new ATOM 0 HH TYR A 94 15.061 10.490 15.006 1.00 31.13 H new ATOM 1440 N GLN A 95 13.576 4.570 21.666 1.00 12.33 N ATOM 1441 CA GLN A 95 13.700 3.443 22.583 1.00 10.32 C ATOM 1442 C GLN A 95 12.329 2.880 22.942 1.00 11.25 C ATOM 1443 O GLN A 95 12.207 1.718 23.329 1.00 64.05 O ATOM 1444 CB GLN A 95 14.438 3.871 23.853 1.00 33.22 C ATOM 1445 CG GLN A 95 15.815 4.457 23.589 1.00 62.24 C ATOM 1446 CD GLN A 95 16.881 3.391 23.423 1.00 12.34 C ATOM 1447 OE1 GLN A 95 16.600 2.196 23.516 1.00 14.10 O ATOM 1448 NE2 GLN A 95 18.113 3.820 23.177 1.00 63.40 N ATOM 0 H GLN A 95 13.875 5.465 22.054 1.00 12.33 H new ATOM 0 HA GLN A 95 14.273 2.662 22.084 1.00 10.32 H new ATOM 0 HB2 GLN A 95 13.834 4.608 24.383 1.00 33.22 H new ATOM 0 HB3 GLN A 95 14.540 3.009 24.512 1.00 33.22 H new ATOM 0 HG2 GLN A 95 15.778 5.071 22.689 1.00 62.24 H new ATOM 0 HG3 GLN A 95 16.090 5.115 24.413 1.00 62.24 H new ATOM 0 HE21 GLN A 95 18.300 4.820 23.108 1.00 63.40 H new ATOM 0 HE22 GLN A 95 18.872 3.149 23.057 1.00 63.40 H new ATOM 1457 N GLN A 96 11.301 3.712 22.813 1.00 15.10 N ATOM 1458 CA GLN A 96 9.938 3.296 23.125 1.00 3.45 C ATOM 1459 C GLN A 96 9.287 2.618 21.925 1.00 63.32 C ATOM 1460 O GLN A 96 8.268 1.943 22.058 1.00 35.41 O ATOM 1461 CB GLN A 96 9.102 4.501 23.561 1.00 41.03 C ATOM 1462 CG GLN A 96 8.678 4.452 25.020 1.00 43.22 C ATOM 1463 CD GLN A 96 8.053 5.751 25.490 1.00 60.23 C ATOM 1464 OE1 GLN A 96 8.736 6.765 25.634 1.00 14.41 O ATOM 1465 NE2 GLN A 96 6.747 5.726 25.731 1.00 44.20 N ATOM 0 H GLN A 96 11.385 4.677 22.495 1.00 15.10 H new ATOM 0 HA GLN A 96 9.983 2.578 23.944 1.00 3.45 H new ATOM 0 HB2 GLN A 96 9.675 5.412 23.388 1.00 41.03 H new ATOM 0 HB3 GLN A 96 8.212 4.561 22.935 1.00 41.03 H new ATOM 0 HG2 GLN A 96 7.966 3.639 25.160 1.00 43.22 H new ATOM 0 HG3 GLN A 96 9.546 4.226 25.639 1.00 43.22 H new ATOM 0 HE21 GLN A 96 6.220 4.863 25.598 1.00 44.20 H new ATOM 0 HE22 GLN A 96 6.271 6.570 26.049 1.00 44.20 H new ATOM 1474 N GLY A 97 9.884 2.802 20.751 1.00 3.21 N ATOM 1475 CA GLY A 97 9.348 2.202 19.544 1.00 61.24 C ATOM 1476 C GLY A 97 8.912 3.237 18.526 1.00 61.13 C ATOM 1477 O GLY A 97 7.886 3.074 17.866 1.00 43.52 O ATOM 0 H GLY A 97 10.729 3.356 20.615 1.00 3.21 H new ATOM 0 HA2 GLY A 97 10.103 1.554 19.098 1.00 61.24 H new ATOM 0 HA3 GLY A 97 8.498 1.571 19.802 1.00 61.24 H new ATOM 1481 N ALA A 98 9.692 4.305 18.399 1.00 4.30 N ATOM 1482 CA ALA A 98 9.381 5.371 17.454 1.00 24.33 C ATOM 1483 C ALA A 98 10.006 5.095 16.091 1.00 72.03 C ATOM 1484 O ALA A 98 10.917 4.276 15.968 1.00 3.42 O ATOM 1485 CB ALA A 98 9.859 6.711 17.994 1.00 35.22 C ATOM 0 H ALA A 98 10.544 4.455 18.939 1.00 4.30 H new ATOM 0 HA ALA A 98 8.299 5.407 17.328 1.00 24.33 H new ATOM 0 HB1 ALA A 98 9.620 7.498 17.278 1.00 35.22 H new ATOM 0 HB2 ALA A 98 9.362 6.920 18.942 1.00 35.22 H new ATOM 0 HB3 ALA A 98 10.937 6.677 18.149 1.00 35.22 H new ATOM 1491 N PHE A 99 9.509 5.783 15.068 1.00 62.43 N ATOM 1492 CA PHE A 99 10.018 5.610 13.712 1.00 53.21 C ATOM 1493 C PHE A 99 11.062 6.673 13.383 1.00 12.33 C ATOM 1494 O PHE A 99 12.218 6.357 13.102 1.00 51.31 O ATOM 1495 CB PHE A 99 8.870 5.677 12.702 1.00 63.32 C ATOM 1496 CG PHE A 99 9.239 5.159 11.341 1.00 32.30 C ATOM 1497 CD1 PHE A 99 9.461 3.806 11.137 1.00 53.44 C ATOM 1498 CD2 PHE A 99 9.364 6.024 10.266 1.00 11.23 C ATOM 1499 CE1 PHE A 99 9.800 3.326 9.886 1.00 54.35 C ATOM 1500 CE2 PHE A 99 9.702 5.550 9.013 1.00 60.11 C ATOM 1501 CZ PHE A 99 9.921 4.200 8.823 1.00 64.44 C ATOM 0 H PHE A 99 8.755 6.465 15.152 1.00 62.43 H new ATOM 0 HA PHE A 99 10.491 4.630 13.650 1.00 53.21 H new ATOM 0 HB2 PHE A 99 8.026 5.103 13.084 1.00 63.32 H new ATOM 0 HB3 PHE A 99 8.537 6.711 12.611 1.00 63.32 H new ATOM 0 HD1 PHE A 99 9.368 3.119 11.965 1.00 53.44 H new ATOM 0 HD2 PHE A 99 9.195 7.081 10.409 1.00 11.23 H new ATOM 0 HE1 PHE A 99 9.970 2.270 9.740 1.00 54.35 H new ATOM 0 HE2 PHE A 99 9.795 6.235 8.183 1.00 60.11 H new ATOM 0 HZ PHE A 99 10.187 3.828 7.845 1.00 64.44 H new ATOM 1511 N ASP A 100 10.645 7.934 13.421 1.00 43.23 N ATOM 1512 CA ASP A 100 11.543 9.045 13.128 1.00 44.14 C ATOM 1513 C ASP A 100 11.000 10.350 13.702 1.00 33.41 C ATOM 1514 O ASP A 100 9.902 10.385 14.259 1.00 22.40 O ATOM 1515 CB ASP A 100 11.743 9.183 11.617 1.00 22.45 C ATOM 1516 CG ASP A 100 13.182 9.487 11.249 1.00 21.41 C ATOM 1517 OD1 ASP A 100 13.957 8.529 11.044 1.00 34.13 O ATOM 1518 OD2 ASP A 100 13.534 10.682 11.167 1.00 51.24 O ATOM 0 H ASP A 100 9.691 8.212 13.652 1.00 43.23 H new ATOM 0 HA ASP A 100 12.504 8.835 13.597 1.00 44.14 H new ATOM 0 HB2 ASP A 100 11.433 8.260 11.127 1.00 22.45 H new ATOM 0 HB3 ASP A 100 11.099 9.977 11.239 1.00 22.45 H new ATOM 1523 N TYR A 101 11.775 11.419 13.564 1.00 51.32 N ATOM 1524 CA TYR A 101 11.373 12.725 14.072 1.00 12.41 C ATOM 1525 C TYR A 101 11.246 13.736 12.937 1.00 53.34 C ATOM 1526 O TYR A 101 12.244 14.170 12.361 1.00 63.05 O ATOM 1527 CB TYR A 101 12.383 13.227 15.106 1.00 71.25 C ATOM 1528 CG TYR A 101 11.953 14.496 15.806 1.00 44.34 C ATOM 1529 CD1 TYR A 101 10.761 14.551 16.517 1.00 23.14 C ATOM 1530 CD2 TYR A 101 12.739 15.641 15.755 1.00 52.23 C ATOM 1531 CE1 TYR A 101 10.364 15.709 17.158 1.00 23.31 C ATOM 1532 CE2 TYR A 101 12.351 16.803 16.394 1.00 74.25 C ATOM 1533 CZ TYR A 101 11.163 16.832 17.094 1.00 75.33 C ATOM 1534 OH TYR A 101 10.772 17.987 17.730 1.00 15.32 O ATOM 0 H TYR A 101 12.686 11.407 13.104 1.00 51.32 H new ATOM 0 HA TYR A 101 10.399 12.616 14.548 1.00 12.41 H new ATOM 0 HB2 TYR A 101 12.545 12.448 15.851 1.00 71.25 H new ATOM 0 HB3 TYR A 101 13.339 13.400 14.613 1.00 71.25 H new ATOM 0 HD1 TYR A 101 10.134 13.674 16.570 1.00 23.14 H new ATOM 0 HD2 TYR A 101 13.669 15.622 15.206 1.00 52.23 H new ATOM 0 HE1 TYR A 101 9.434 15.735 17.706 1.00 23.31 H new ATOM 0 HE2 TYR A 101 12.974 17.684 16.346 1.00 74.25 H new ATOM 0 HH TYR A 101 10.650 18.699 17.068 1.00 15.32 H new ATOM 1544 N LEU A 102 10.010 14.108 12.620 1.00 2.23 N ATOM 1545 CA LEU A 102 9.750 15.069 11.554 1.00 11.20 C ATOM 1546 C LEU A 102 9.223 16.383 12.122 1.00 55.02 C ATOM 1547 O LEU A 102 8.022 16.654 12.112 1.00 13.40 O ATOM 1548 CB LEU A 102 8.745 14.493 10.555 1.00 63.51 C ATOM 1549 CG LEU A 102 8.648 15.213 9.210 1.00 72.45 C ATOM 1550 CD1 LEU A 102 9.859 14.896 8.346 1.00 72.13 C ATOM 1551 CD2 LEU A 102 7.363 14.829 8.491 1.00 73.51 C ATOM 0 H LEU A 102 9.173 13.759 13.086 1.00 2.23 H new ATOM 0 HA LEU A 102 10.691 15.268 11.040 1.00 11.20 H new ATOM 0 HB2 LEU A 102 9.005 13.451 10.369 1.00 63.51 H new ATOM 0 HB3 LEU A 102 7.759 14.498 11.019 1.00 63.51 H new ATOM 0 HG LEU A 102 8.630 16.287 9.395 1.00 72.45 H new ATOM 0 HD11 LEU A 102 9.772 15.417 7.393 1.00 72.13 H new ATOM 0 HD12 LEU A 102 10.765 15.222 8.856 1.00 72.13 H new ATOM 0 HD13 LEU A 102 9.908 13.822 8.169 1.00 72.13 H new ATOM 0 HD21 LEU A 102 7.311 15.351 7.536 1.00 73.51 H new ATOM 0 HD22 LEU A 102 7.351 13.753 8.318 1.00 73.51 H new ATOM 0 HD23 LEU A 102 6.506 15.108 9.104 1.00 73.51 H new ATOM 1563 N PRO A 103 10.140 17.220 12.627 1.00 5.33 N ATOM 1564 CA PRO A 103 9.792 18.521 13.206 1.00 12.12 C ATOM 1565 C PRO A 103 9.321 19.517 12.152 1.00 10.32 C ATOM 1566 O PRO A 103 9.745 19.463 10.998 1.00 64.13 O ATOM 1567 CB PRO A 103 11.104 18.991 13.838 1.00 44.51 C ATOM 1568 CG PRO A 103 12.169 18.293 13.064 1.00 32.25 C ATOM 1569 CD PRO A 103 11.589 16.962 12.672 1.00 65.20 C ATOM 0 HA PRO A 103 8.966 18.444 13.913 1.00 12.12 H new ATOM 0 HB2 PRO A 103 11.210 20.074 13.770 1.00 44.51 H new ATOM 0 HB3 PRO A 103 11.149 18.732 14.896 1.00 44.51 H new ATOM 0 HG2 PRO A 103 12.454 18.869 12.184 1.00 32.25 H new ATOM 0 HG3 PRO A 103 13.069 18.165 13.666 1.00 32.25 H new ATOM 0 HD2 PRO A 103 11.968 16.628 11.706 1.00 65.20 H new ATOM 0 HD3 PRO A 103 11.837 16.187 13.397 1.00 65.20 H new ATOM 1577 N LYS A 104 8.441 20.428 12.556 1.00 25.32 N ATOM 1578 CA LYS A 104 7.913 21.438 11.647 1.00 4.35 C ATOM 1579 C LYS A 104 8.493 22.813 11.966 1.00 23.30 C ATOM 1580 O LYS A 104 8.959 23.074 13.075 1.00 3.51 O ATOM 1581 CB LYS A 104 6.386 21.485 11.735 1.00 23.42 C ATOM 1582 CG LYS A 104 5.854 21.347 13.151 1.00 71.00 C ATOM 1583 CD LYS A 104 4.395 21.761 13.241 1.00 53.22 C ATOM 1584 CE LYS A 104 3.896 21.736 14.677 1.00 14.54 C ATOM 1585 NZ LYS A 104 2.914 22.825 14.943 1.00 64.25 N ATOM 0 H LYS A 104 8.079 20.487 13.508 1.00 25.32 H new ATOM 0 HA LYS A 104 8.204 21.166 10.633 1.00 4.35 H new ATOM 0 HB2 LYS A 104 6.035 22.427 11.314 1.00 23.42 H new ATOM 0 HB3 LYS A 104 5.970 20.687 11.120 1.00 23.42 H new ATOM 0 HG2 LYS A 104 5.961 20.314 13.482 1.00 71.00 H new ATOM 0 HG3 LYS A 104 6.450 21.961 13.826 1.00 71.00 H new ATOM 0 HD2 LYS A 104 4.274 22.763 12.830 1.00 53.22 H new ATOM 0 HD3 LYS A 104 3.788 21.092 12.632 1.00 53.22 H new ATOM 0 HE2 LYS A 104 3.433 20.771 14.884 1.00 14.54 H new ATOM 0 HE3 LYS A 104 4.742 21.836 15.357 1.00 14.54 H new ATOM 0 HZ1 LYS A 104 2.275 22.536 15.711 1.00 64.25 H new ATOM 0 HZ2 LYS A 104 3.421 23.689 15.221 1.00 64.25 H new ATOM 0 HZ3 LYS A 104 2.360 23.010 14.083 1.00 64.25 H new ATOM 1599 N PRO A 105 8.464 23.713 10.972 1.00 11.14 N ATOM 1600 CA PRO A 105 7.912 23.413 9.648 1.00 63.31 C ATOM 1601 C PRO A 105 8.781 22.433 8.866 1.00 4.34 C ATOM 1602 O PRO A 105 10.010 22.491 8.930 1.00 73.32 O ATOM 1603 CB PRO A 105 7.889 24.778 8.955 1.00 23.52 C ATOM 1604 CG PRO A 105 8.953 25.567 9.638 1.00 74.32 C ATOM 1605 CD PRO A 105 8.967 25.094 11.065 1.00 25.21 C ATOM 0 HA PRO A 105 6.934 22.936 9.713 1.00 63.31 H new ATOM 0 HB2 PRO A 105 8.089 24.684 7.888 1.00 23.52 H new ATOM 0 HB3 PRO A 105 6.915 25.257 9.055 1.00 23.52 H new ATOM 0 HG2 PRO A 105 9.922 25.408 9.164 1.00 74.32 H new ATOM 0 HG3 PRO A 105 8.743 26.635 9.583 1.00 74.32 H new ATOM 0 HD2 PRO A 105 9.970 25.128 11.490 1.00 25.21 H new ATOM 0 HD3 PRO A 105 8.331 25.711 11.699 1.00 25.21 H new ATOM 1613 N PHE A 106 8.137 21.535 8.129 1.00 14.13 N ATOM 1614 CA PHE A 106 8.851 20.542 7.335 1.00 4.45 C ATOM 1615 C PHE A 106 8.433 20.614 5.870 1.00 50.22 C ATOM 1616 O PHE A 106 7.534 21.372 5.506 1.00 13.33 O ATOM 1617 CB PHE A 106 8.592 19.137 7.883 1.00 2.53 C ATOM 1618 CG PHE A 106 7.155 18.713 7.788 1.00 34.22 C ATOM 1619 CD1 PHE A 106 6.636 18.239 6.594 1.00 51.10 C ATOM 1620 CD2 PHE A 106 6.322 18.788 8.893 1.00 31.31 C ATOM 1621 CE1 PHE A 106 5.314 17.847 6.503 1.00 15.11 C ATOM 1622 CE2 PHE A 106 4.999 18.397 8.808 1.00 30.24 C ATOM 1623 CZ PHE A 106 4.494 17.927 7.612 1.00 52.13 C ATOM 0 H PHE A 106 7.121 21.474 8.065 1.00 14.13 H new ATOM 0 HA PHE A 106 9.917 20.759 7.401 1.00 4.45 H new ATOM 0 HB2 PHE A 106 9.210 18.423 7.338 1.00 2.53 H new ATOM 0 HB3 PHE A 106 8.906 19.099 8.926 1.00 2.53 H new ATOM 0 HD1 PHE A 106 7.272 18.175 5.724 1.00 51.10 H new ATOM 0 HD2 PHE A 106 6.711 19.156 9.831 1.00 31.31 H new ATOM 0 HE1 PHE A 106 4.922 17.479 5.566 1.00 15.11 H new ATOM 0 HE2 PHE A 106 4.360 18.459 9.677 1.00 30.24 H new ATOM 0 HZ PHE A 106 3.460 17.623 7.544 1.00 52.13 H new ATOM 1633 N ASP A 107 9.092 19.820 5.033 1.00 2.32 N ATOM 1634 CA ASP A 107 8.789 19.792 3.607 1.00 43.50 C ATOM 1635 C ASP A 107 7.976 18.553 3.248 1.00 21.32 C ATOM 1636 O ASP A 107 8.514 17.448 3.165 1.00 2.23 O ATOM 1637 CB ASP A 107 10.081 19.825 2.789 1.00 62.41 C ATOM 1638 CG ASP A 107 9.911 20.546 1.466 1.00 3.14 C ATOM 1639 OD1 ASP A 107 8.778 20.977 1.168 1.00 42.24 O ATOM 1640 OD2 ASP A 107 10.911 20.679 0.730 1.00 62.23 O ATOM 0 H ASP A 107 9.840 19.187 5.318 1.00 2.32 H new ATOM 0 HA ASP A 107 8.195 20.675 3.369 1.00 43.50 H new ATOM 0 HB2 ASP A 107 10.862 20.316 3.369 1.00 62.41 H new ATOM 0 HB3 ASP A 107 10.416 18.805 2.603 1.00 62.41 H new ATOM 1645 N ILE A 108 6.678 18.743 3.038 1.00 41.33 N ATOM 1646 CA ILE A 108 5.791 17.641 2.688 1.00 24.40 C ATOM 1647 C ILE A 108 6.364 16.818 1.539 1.00 22.41 C ATOM 1648 O ILE A 108 6.081 15.626 1.414 1.00 55.24 O ATOM 1649 CB ILE A 108 4.391 18.147 2.294 1.00 45.23 C ATOM 1650 CG1 ILE A 108 4.448 18.873 0.948 1.00 62.00 C ATOM 1651 CG2 ILE A 108 3.837 19.064 3.373 1.00 14.33 C ATOM 1652 CD1 ILE A 108 5.190 20.190 1.003 1.00 63.14 C ATOM 0 H ILE A 108 6.217 19.650 3.104 1.00 41.33 H new ATOM 0 HA ILE A 108 5.704 17.013 3.574 1.00 24.40 H new ATOM 0 HB ILE A 108 3.725 17.290 2.196 1.00 45.23 H new ATOM 0 HG12 ILE A 108 4.928 18.225 0.215 1.00 62.00 H new ATOM 0 HG13 ILE A 108 3.432 19.052 0.598 1.00 62.00 H new ATOM 0 HG21 ILE A 108 2.847 19.414 3.080 1.00 14.33 H new ATOM 0 HG22 ILE A 108 3.765 18.518 4.313 1.00 14.33 H new ATOM 0 HG23 ILE A 108 4.501 19.919 3.500 1.00 14.33 H new ATOM 0 HD11 ILE A 108 5.191 20.649 0.014 1.00 63.14 H new ATOM 0 HD12 ILE A 108 4.697 20.856 1.712 1.00 63.14 H new ATOM 0 HD13 ILE A 108 6.217 20.016 1.323 1.00 63.14 H new ATOM 1664 N ASP A 109 7.173 17.461 0.704 1.00 32.50 N ATOM 1665 CA ASP A 109 7.789 16.788 -0.434 1.00 31.33 C ATOM 1666 C ASP A 109 8.601 15.580 0.024 1.00 50.04 C ATOM 1667 O ASP A 109 8.587 14.532 -0.620 1.00 61.51 O ATOM 1668 CB ASP A 109 8.685 17.759 -1.204 1.00 22.24 C ATOM 1669 CG ASP A 109 7.892 18.703 -2.086 1.00 4.02 C ATOM 1670 OD1 ASP A 109 7.328 19.681 -1.552 1.00 33.11 O ATOM 1671 OD2 ASP A 109 7.837 18.465 -3.310 1.00 63.32 O ATOM 0 H ASP A 109 7.418 18.447 0.794 1.00 32.50 H new ATOM 0 HA ASP A 109 6.994 16.440 -1.093 1.00 31.33 H new ATOM 0 HB2 ASP A 109 9.279 18.339 -0.497 1.00 22.24 H new ATOM 0 HB3 ASP A 109 9.385 17.193 -1.819 1.00 22.24 H new ATOM 1676 N GLU A 110 9.308 15.737 1.138 1.00 22.44 N ATOM 1677 CA GLU A 110 10.128 14.659 1.680 1.00 72.11 C ATOM 1678 C GLU A 110 9.303 13.752 2.589 1.00 40.20 C ATOM 1679 O GLU A 110 9.657 12.596 2.817 1.00 62.03 O ATOM 1680 CB GLU A 110 11.316 15.232 2.455 1.00 10.11 C ATOM 1681 CG GLU A 110 12.361 14.192 2.824 1.00 13.30 C ATOM 1682 CD GLU A 110 13.710 14.470 2.189 1.00 34.05 C ATOM 1683 OE1 GLU A 110 13.767 14.592 0.948 1.00 75.02 O ATOM 1684 OE2 GLU A 110 14.708 14.565 2.934 1.00 53.04 O ATOM 0 H GLU A 110 9.330 16.599 1.683 1.00 22.44 H new ATOM 0 HA GLU A 110 10.501 14.066 0.845 1.00 72.11 H new ATOM 0 HB2 GLU A 110 11.787 16.012 1.857 1.00 10.11 H new ATOM 0 HB3 GLU A 110 10.950 15.706 3.366 1.00 10.11 H new ATOM 0 HG2 GLU A 110 12.473 14.163 3.908 1.00 13.30 H new ATOM 0 HG3 GLU A 110 12.013 13.207 2.513 1.00 13.30 H new ATOM 1691 N ALA A 111 8.201 14.287 3.106 1.00 64.41 N ATOM 1692 CA ALA A 111 7.325 13.527 3.989 1.00 63.54 C ATOM 1693 C ALA A 111 6.461 12.551 3.197 1.00 22.32 C ATOM 1694 O ALA A 111 6.165 11.450 3.662 1.00 64.31 O ATOM 1695 CB ALA A 111 6.451 14.468 4.803 1.00 13.30 C ATOM 0 H ALA A 111 7.894 15.243 2.928 1.00 64.41 H new ATOM 0 HA ALA A 111 7.949 12.949 4.670 1.00 63.54 H new ATOM 0 HB1 ALA A 111 5.802 13.887 5.458 1.00 13.30 H new ATOM 0 HB2 ALA A 111 7.082 15.122 5.405 1.00 13.30 H new ATOM 0 HB3 ALA A 111 5.841 15.071 4.130 1.00 13.30 H new ATOM 1701 N VAL A 112 6.058 12.962 1.999 1.00 61.20 N ATOM 1702 CA VAL A 112 5.228 12.123 1.143 1.00 52.45 C ATOM 1703 C VAL A 112 5.837 10.736 0.974 1.00 45.44 C ATOM 1704 O VAL A 112 5.127 9.732 0.966 1.00 71.35 O ATOM 1705 CB VAL A 112 5.033 12.759 -0.247 1.00 2.32 C ATOM 1706 CG1 VAL A 112 4.364 11.776 -1.195 1.00 54.50 C ATOM 1707 CG2 VAL A 112 4.223 14.042 -0.136 1.00 44.33 C ATOM 0 H VAL A 112 6.293 13.871 1.599 1.00 61.20 H new ATOM 0 HA VAL A 112 4.259 12.033 1.633 1.00 52.45 H new ATOM 0 HB VAL A 112 6.013 13.009 -0.654 1.00 2.32 H new ATOM 0 HG11 VAL A 112 4.235 12.243 -2.171 1.00 54.50 H new ATOM 0 HG12 VAL A 112 4.987 10.888 -1.297 1.00 54.50 H new ATOM 0 HG13 VAL A 112 3.390 11.492 -0.797 1.00 54.50 H new ATOM 0 HG21 VAL A 112 4.095 14.478 -1.127 1.00 44.33 H new ATOM 0 HG22 VAL A 112 3.246 13.819 0.292 1.00 44.33 H new ATOM 0 HG23 VAL A 112 4.748 14.749 0.506 1.00 44.33 H new ATOM 1717 N ALA A 113 7.159 10.689 0.839 1.00 12.24 N ATOM 1718 CA ALA A 113 7.865 9.425 0.673 1.00 2.02 C ATOM 1719 C ALA A 113 8.145 8.771 2.022 1.00 34.11 C ATOM 1720 O ALA A 113 8.278 7.550 2.116 1.00 62.03 O ATOM 1721 CB ALA A 113 9.164 9.642 -0.089 1.00 53.33 C ATOM 0 H ALA A 113 7.762 11.512 0.841 1.00 12.24 H new ATOM 0 HA ALA A 113 7.227 8.754 0.098 1.00 2.02 H new ATOM 0 HB1 ALA A 113 9.681 8.689 -0.206 1.00 53.33 H new ATOM 0 HB2 ALA A 113 8.944 10.058 -1.072 1.00 53.33 H new ATOM 0 HB3 ALA A 113 9.799 10.334 0.464 1.00 53.33 H new ATOM 1727 N LEU A 114 8.233 9.590 3.064 1.00 34.34 N ATOM 1728 CA LEU A 114 8.497 9.090 4.409 1.00 1.44 C ATOM 1729 C LEU A 114 7.246 8.460 5.012 1.00 13.00 C ATOM 1730 O LEU A 114 7.330 7.628 5.916 1.00 44.41 O ATOM 1731 CB LEU A 114 8.994 10.225 5.307 1.00 35.13 C ATOM 1732 CG LEU A 114 8.964 9.952 6.812 1.00 53.34 C ATOM 1733 CD1 LEU A 114 10.091 9.011 7.206 1.00 4.31 C ATOM 1734 CD2 LEU A 114 9.057 11.256 7.592 1.00 74.43 C ATOM 0 H LEU A 114 8.126 10.603 3.004 1.00 34.34 H new ATOM 0 HA LEU A 114 9.269 8.324 4.340 1.00 1.44 H new ATOM 0 HB2 LEU A 114 10.018 10.465 5.022 1.00 35.13 H new ATOM 0 HB3 LEU A 114 8.391 11.111 5.106 1.00 35.13 H new ATOM 0 HG LEU A 114 8.016 9.472 7.057 1.00 53.34 H new ATOM 0 HD11 LEU A 114 10.054 8.828 8.280 1.00 4.31 H new ATOM 0 HD12 LEU A 114 9.980 8.067 6.673 1.00 4.31 H new ATOM 0 HD13 LEU A 114 11.049 9.462 6.948 1.00 4.31 H new ATOM 0 HD21 LEU A 114 9.034 11.043 8.661 1.00 74.43 H new ATOM 0 HD22 LEU A 114 9.989 11.763 7.343 1.00 74.43 H new ATOM 0 HD23 LEU A 114 8.214 11.897 7.332 1.00 74.43 H new ATOM 1746 N VAL A 115 6.084 8.860 4.504 1.00 43.01 N ATOM 1747 CA VAL A 115 4.815 8.332 4.989 1.00 30.05 C ATOM 1748 C VAL A 115 4.718 6.829 4.752 1.00 3.14 C ATOM 1749 O VAL A 115 4.297 6.078 5.632 1.00 50.53 O ATOM 1750 CB VAL A 115 3.621 9.026 4.308 1.00 72.02 C ATOM 1751 CG1 VAL A 115 2.313 8.368 4.721 1.00 23.05 C ATOM 1752 CG2 VAL A 115 3.608 10.511 4.639 1.00 61.32 C ATOM 0 H VAL A 115 5.996 9.548 3.756 1.00 43.01 H new ATOM 0 HA VAL A 115 4.779 8.531 6.060 1.00 30.05 H new ATOM 0 HB VAL A 115 3.729 8.918 3.229 1.00 72.02 H new ATOM 0 HG11 VAL A 115 1.481 8.872 4.230 1.00 23.05 H new ATOM 0 HG12 VAL A 115 2.325 7.318 4.428 1.00 23.05 H new ATOM 0 HG13 VAL A 115 2.194 8.441 5.802 1.00 23.05 H new ATOM 0 HG21 VAL A 115 2.758 10.985 4.149 1.00 61.32 H new ATOM 0 HG22 VAL A 115 3.525 10.643 5.718 1.00 61.32 H new ATOM 0 HG23 VAL A 115 4.532 10.970 4.287 1.00 61.32 H new ATOM 1762 N GLU A 116 5.112 6.397 3.558 1.00 10.24 N ATOM 1763 CA GLU A 116 5.069 4.983 3.206 1.00 20.10 C ATOM 1764 C GLU A 116 6.311 4.257 3.716 1.00 14.14 C ATOM 1765 O GLU A 116 6.313 3.034 3.860 1.00 53.42 O ATOM 1766 CB GLU A 116 4.954 4.816 1.689 1.00 23.44 C ATOM 1767 CG GLU A 116 3.936 5.744 1.050 1.00 40.41 C ATOM 1768 CD GLU A 116 3.092 5.050 -0.001 1.00 61.12 C ATOM 1769 OE1 GLU A 116 2.746 3.867 0.203 1.00 45.20 O ATOM 1770 OE2 GLU A 116 2.778 5.688 -1.027 1.00 54.12 O ATOM 0 H GLU A 116 5.464 7.006 2.819 1.00 10.24 H new ATOM 0 HA GLU A 116 4.192 4.543 3.681 1.00 20.10 H new ATOM 0 HB2 GLU A 116 5.930 4.995 1.237 1.00 23.44 H new ATOM 0 HB3 GLU A 116 4.683 3.784 1.465 1.00 23.44 H new ATOM 0 HG2 GLU A 116 3.284 6.150 1.824 1.00 40.41 H new ATOM 0 HG3 GLU A 116 4.455 6.588 0.595 1.00 40.41 H new ATOM 1777 N ARG A 117 7.365 5.020 3.988 1.00 34.41 N ATOM 1778 CA ARG A 117 8.613 4.450 4.480 1.00 21.05 C ATOM 1779 C ARG A 117 8.353 3.485 5.634 1.00 51.23 C ATOM 1780 O ARG A 117 8.924 2.397 5.686 1.00 23.42 O ATOM 1781 CB ARG A 117 9.561 5.561 4.935 1.00 2.10 C ATOM 1782 CG ARG A 117 10.764 5.746 4.025 1.00 62.45 C ATOM 1783 CD ARG A 117 12.065 5.744 4.813 1.00 53.53 C ATOM 1784 NE ARG A 117 13.217 5.441 3.968 1.00 75.23 N ATOM 1785 CZ ARG A 117 14.394 5.052 4.443 1.00 64.20 C ATOM 1786 NH1 ARG A 117 14.575 4.919 5.750 1.00 52.42 N ATOM 1787 NH2 ARG A 117 15.395 4.794 3.610 1.00 32.12 N ATOM 0 H ARG A 117 7.379 6.034 3.876 1.00 34.41 H new ATOM 0 HA ARG A 117 9.077 3.897 3.664 1.00 21.05 H new ATOM 0 HB2 ARG A 117 9.009 6.499 4.988 1.00 2.10 H new ATOM 0 HB3 ARG A 117 9.910 5.339 5.944 1.00 2.10 H new ATOM 0 HG2 ARG A 117 10.786 4.948 3.283 1.00 62.45 H new ATOM 0 HG3 ARG A 117 10.669 6.686 3.481 1.00 62.45 H new ATOM 0 HD2 ARG A 117 12.206 6.718 5.282 1.00 53.53 H new ATOM 0 HD3 ARG A 117 12.001 5.009 5.616 1.00 53.53 H new ATOM 0 HE ARG A 117 13.111 5.533 2.958 1.00 75.23 H new ATOM 0 HH11 ARG A 117 13.809 5.116 6.394 1.00 52.42 H new ATOM 0 HH12 ARG A 117 15.481 4.620 6.112 1.00 52.42 H new ATOM 0 HH21 ARG A 117 15.260 4.895 2.604 1.00 32.12 H new ATOM 0 HH22 ARG A 117 16.299 4.495 3.976 1.00 32.12 H new ATOM 1801 N ALA A 118 7.487 3.893 6.556 1.00 43.31 N ATOM 1802 CA ALA A 118 7.150 3.065 7.707 1.00 4.11 C ATOM 1803 C ALA A 118 6.047 2.070 7.363 1.00 23.05 C ATOM 1804 O ALA A 118 6.146 0.885 7.682 1.00 24.25 O ATOM 1805 CB ALA A 118 6.730 3.938 8.880 1.00 31.12 C ATOM 0 H ALA A 118 7.006 4.792 6.528 1.00 43.31 H new ATOM 0 HA ALA A 118 8.038 2.499 7.989 1.00 4.11 H new ATOM 0 HB1 ALA A 118 6.481 3.306 9.733 1.00 31.12 H new ATOM 0 HB2 ALA A 118 7.549 4.605 9.149 1.00 31.12 H new ATOM 0 HB3 ALA A 118 5.858 4.529 8.600 1.00 31.12 H new ATOM 1811 N ILE A 119 4.997 2.559 6.713 1.00 43.25 N ATOM 1812 CA ILE A 119 3.876 1.712 6.326 1.00 62.22 C ATOM 1813 C ILE A 119 4.356 0.474 5.575 1.00 53.42 C ATOM 1814 O ILE A 119 3.736 -0.587 5.646 1.00 10.23 O ATOM 1815 CB ILE A 119 2.871 2.476 5.444 1.00 32.03 C ATOM 1816 CG1 ILE A 119 2.351 3.713 6.180 1.00 64.00 C ATOM 1817 CG2 ILE A 119 1.718 1.567 5.046 1.00 72.11 C ATOM 1818 CD1 ILE A 119 1.515 4.626 5.311 1.00 32.11 C ATOM 0 H ILE A 119 4.899 3.538 6.443 1.00 43.25 H new ATOM 0 HA ILE A 119 3.379 1.406 7.247 1.00 62.22 H new ATOM 0 HB ILE A 119 3.381 2.803 4.537 1.00 32.03 H new ATOM 0 HG12 ILE A 119 1.756 3.393 7.035 1.00 64.00 H new ATOM 0 HG13 ILE A 119 3.198 4.275 6.573 1.00 64.00 H new ATOM 0 HG21 ILE A 119 1.016 2.121 4.423 1.00 72.11 H new ATOM 0 HG22 ILE A 119 2.103 0.714 4.488 1.00 72.11 H new ATOM 0 HG23 ILE A 119 1.207 1.214 5.942 1.00 72.11 H new ATOM 0 HD11 ILE A 119 1.180 5.481 5.898 1.00 32.11 H new ATOM 0 HD12 ILE A 119 2.113 4.975 4.469 1.00 32.11 H new ATOM 0 HD13 ILE A 119 0.648 4.080 4.938 1.00 32.11 H new ATOM 1830 N SER A 120 5.465 0.618 4.856 1.00 34.20 N ATOM 1831 CA SER A 120 6.027 -0.488 4.090 1.00 42.13 C ATOM 1832 C SER A 120 6.374 -1.660 5.002 1.00 33.52 C ATOM 1833 O SER A 120 6.210 -2.822 4.629 1.00 74.42 O ATOM 1834 CB SER A 120 7.276 -0.029 3.334 1.00 75.14 C ATOM 1835 OG SER A 120 8.372 0.139 4.215 1.00 43.51 O ATOM 0 H SER A 120 5.991 1.489 4.788 1.00 34.20 H new ATOM 0 HA SER A 120 5.276 -0.819 3.372 1.00 42.13 H new ATOM 0 HB2 SER A 120 7.530 -0.761 2.567 1.00 75.14 H new ATOM 0 HB3 SER A 120 7.070 0.911 2.822 1.00 75.14 H new ATOM 0 HG SER A 120 8.347 1.040 4.600 1.00 43.51 H new ATOM 1841 N HIS A 121 6.854 -1.347 6.201 1.00 23.13 N ATOM 1842 CA HIS A 121 7.224 -2.374 7.169 1.00 41.10 C ATOM 1843 C HIS A 121 6.067 -3.340 7.404 1.00 23.53 C ATOM 1844 O HIS A 121 6.279 -4.513 7.713 1.00 35.43 O ATOM 1845 CB HIS A 121 7.644 -1.731 8.491 1.00 31.02 C ATOM 1846 CG HIS A 121 8.316 -2.682 9.433 1.00 72.20 C ATOM 1847 ND1 HIS A 121 9.562 -3.222 9.196 1.00 45.44 N ATOM 1848 CD2 HIS A 121 7.908 -3.189 10.620 1.00 3.32 C ATOM 1849 CE1 HIS A 121 9.892 -4.020 10.195 1.00 31.12 C ATOM 1850 NE2 HIS A 121 8.905 -4.017 11.073 1.00 22.32 N ATOM 0 H HIS A 121 6.996 -0.391 6.526 1.00 23.13 H new ATOM 0 HA HIS A 121 8.066 -2.935 6.763 1.00 41.10 H new ATOM 0 HB2 HIS A 121 8.319 -0.901 8.283 1.00 31.02 H new ATOM 0 HB3 HIS A 121 6.763 -1.312 8.978 1.00 31.02 H new ATOM 0 HD2 HIS A 121 6.972 -2.981 11.118 1.00 3.32 H new ATOM 0 HE1 HIS A 121 10.812 -4.580 10.280 1.00 31.12 H new ATOM 0 HE2 HIS A 121 8.887 -4.544 11.946 1.00 22.32 H new ATOM 1858 N TYR A 122 4.846 -2.840 7.257 1.00 73.21 N ATOM 1859 CA TYR A 122 3.655 -3.658 7.457 1.00 65.54 C ATOM 1860 C TYR A 122 3.076 -4.112 6.120 1.00 31.33 C ATOM 1861 O TYR A 122 2.416 -5.148 6.038 1.00 44.01 O ATOM 1862 CB TYR A 122 2.601 -2.879 8.244 1.00 1.21 C ATOM 1863 CG TYR A 122 3.119 -2.301 9.542 1.00 30.50 C ATOM 1864 CD1 TYR A 122 3.830 -1.108 9.560 1.00 52.11 C ATOM 1865 CD2 TYR A 122 2.896 -2.949 10.751 1.00 63.51 C ATOM 1866 CE1 TYR A 122 4.305 -0.577 10.743 1.00 24.44 C ATOM 1867 CE2 TYR A 122 3.367 -2.426 11.939 1.00 11.45 C ATOM 1868 CZ TYR A 122 4.071 -1.240 11.930 1.00 2.35 C ATOM 1869 OH TYR A 122 4.542 -0.714 13.112 1.00 41.23 O ATOM 0 H TYR A 122 4.654 -1.872 7.000 1.00 73.21 H new ATOM 0 HA TYR A 122 3.943 -4.541 8.027 1.00 65.54 H new ATOM 0 HB2 TYR A 122 2.220 -2.069 7.622 1.00 1.21 H new ATOM 0 HB3 TYR A 122 1.760 -3.538 8.459 1.00 1.21 H new ATOM 0 HD1 TYR A 122 4.015 -0.586 8.632 1.00 52.11 H new ATOM 0 HD2 TYR A 122 2.345 -3.878 10.762 1.00 63.51 H new ATOM 0 HE1 TYR A 122 4.856 0.352 10.739 1.00 24.44 H new ATOM 0 HE2 TYR A 122 3.185 -2.943 12.870 1.00 11.45 H new ATOM 0 HH TYR A 122 3.835 -0.748 13.790 1.00 41.23 H new ATOM 1879 N GLN A 123 3.328 -3.329 5.077 1.00 43.13 N ATOM 1880 CA GLN A 123 2.832 -3.650 3.744 1.00 51.53 C ATOM 1881 C GLN A 123 1.322 -3.861 3.762 1.00 73.54 C ATOM 1882 O GLN A 123 0.842 -4.987 3.627 1.00 43.45 O ATOM 1883 CB GLN A 123 3.528 -4.900 3.204 1.00 20.35 C ATOM 1884 CG GLN A 123 3.206 -5.196 1.749 1.00 72.04 C ATOM 1885 CD GLN A 123 3.748 -6.536 1.291 1.00 12.14 C ATOM 1886 OE1 GLN A 123 4.955 -6.777 1.332 1.00 53.13 O ATOM 1887 NE2 GLN A 123 2.856 -7.417 0.853 1.00 23.12 N ATOM 0 H GLN A 123 3.872 -2.468 5.129 1.00 43.13 H new ATOM 0 HA GLN A 123 3.055 -2.808 3.088 1.00 51.53 H new ATOM 0 HB2 GLN A 123 4.606 -4.780 3.312 1.00 20.35 H new ATOM 0 HB3 GLN A 123 3.240 -5.757 3.813 1.00 20.35 H new ATOM 0 HG2 GLN A 123 2.125 -5.179 1.610 1.00 72.04 H new ATOM 0 HG3 GLN A 123 3.621 -4.407 1.122 1.00 72.04 H new ATOM 0 HE21 GLN A 123 1.865 -7.175 0.837 1.00 23.12 H new ATOM 0 HE22 GLN A 123 3.162 -8.336 0.533 1.00 23.12 H new ATOM 1896 N GLU A 124 0.578 -2.772 3.930 1.00 61.43 N ATOM 1897 CA GLU A 124 -0.878 -2.841 3.966 1.00 10.34 C ATOM 1898 C GLU A 124 -1.469 -2.603 2.580 1.00 60.03 C ATOM 1899 O GLU A 124 -1.356 -1.510 2.025 1.00 23.52 O ATOM 1900 CB GLU A 124 -1.434 -1.812 4.953 1.00 13.10 C ATOM 1901 CG GLU A 124 -1.769 -2.395 6.316 1.00 52.53 C ATOM 1902 CD GLU A 124 -3.126 -1.948 6.824 1.00 75.15 C ATOM 1903 OE1 GLU A 124 -4.057 -1.826 5.999 1.00 22.12 O ATOM 1904 OE2 GLU A 124 -3.258 -1.720 8.044 1.00 34.51 O ATOM 0 H GLU A 124 0.959 -1.833 4.043 1.00 61.43 H new ATOM 0 HA GLU A 124 -1.161 -3.841 4.295 1.00 10.34 H new ATOM 0 HB2 GLU A 124 -0.705 -1.011 5.079 1.00 13.10 H new ATOM 0 HB3 GLU A 124 -2.332 -1.362 4.529 1.00 13.10 H new ATOM 0 HG2 GLU A 124 -1.748 -3.483 6.257 1.00 52.53 H new ATOM 0 HG3 GLU A 124 -1.002 -2.100 7.032 1.00 52.53 H new TER 1911 GLU A 124