USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 945 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 46 LYS NZ :NH3+ -130:sc= -0.126 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= -3.24 K(o=-3.4,f=-13!) USER MOD Set 1.3: A 94 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.348) USER MOD Set 2.1: A 85 TYR OH : rot -39:sc= 1.18 USER MOD Set 2.2: A 93 TYR OH : rot -109:sc= 1.29 USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= -0.358 USER MOD Set 3.2: A 39 TYR OH : rot 180:sc= -0.0582 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.148) USER MOD Single : A 6 ASN : amide:sc= -0.302 K(o=-0.3,f=-5.5!) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.189) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 36 TYR OH : rot 178:sc= 0.227 USER MOD Single : A 38 MET CE :methyl -177:sc= -2.86 (180deg=-3.04) USER MOD Single : A 40 GLN : amide:sc= -4.37 X(o=-4.4,f=-4.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -63:sc= 0.926 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= 0.118 (180deg=0.0524) USER MOD Single : A 72 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.4) USER MOD Single : A 73 THR OG1 : rot 150:sc=0.000265 USER MOD Single : A 75 TYR OH : rot 11:sc= -2 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.179 F(o=-1.4,f=-0.18) USER MOD Single : A 77 HIS : no HE2:sc= -1.77 X(o=-1.8,f=-2.2) USER MOD Single : A 80 GLN : amide:sc=-0.000187 K(o=-0.00019,f=-1.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.577 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 100 GLN : amide:sc= -0.515 K(o=-0.51,f=-2) USER MOD Single : A 102 SER OG : rot -92:sc= -0.114 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -30:sc= 0.0675 USER MOD Single : A 114 THR OG1 : rot -160:sc= -0.0825 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= -0.806 USER MOD Single : A 125 HIS : no HE2:sc= -1.38 X(o=-1.4,f=-1.7) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.284 -0.162 -0.652 1.00 23.24 N ATOM 2 CA MET A 1 1.080 -0.491 -2.058 1.00 2.23 C ATOM 3 C MET A 1 -0.243 0.076 -2.562 1.00 35.43 C ATOM 4 O MET A 1 -0.328 0.578 -3.682 1.00 3.22 O ATOM 5 CB MET A 1 1.109 -2.007 -2.259 1.00 31.15 C ATOM 6 CG MET A 1 2.494 -2.614 -2.105 1.00 61.24 C ATOM 7 SD MET A 1 3.190 -3.162 -3.676 1.00 32.30 S ATOM 8 CE MET A 1 3.243 -4.935 -3.423 1.00 0.44 C ATOM 0 H1 MET A 1 2.261 -0.391 -0.380 1.00 23.24 H new ATOM 0 H2 MET A 1 1.112 0.853 -0.505 1.00 23.24 H new ATOM 0 H3 MET A 1 0.624 -0.713 -0.067 1.00 23.24 H new ATOM 0 HA MET A 1 1.890 -0.041 -2.632 1.00 2.23 H new ATOM 0 HB2 MET A 1 0.435 -2.473 -1.541 1.00 31.15 H new ATOM 0 HB3 MET A 1 0.727 -2.241 -3.253 1.00 31.15 H new ATOM 0 HG2 MET A 1 3.160 -1.879 -1.653 1.00 61.24 H new ATOM 0 HG3 MET A 1 2.442 -3.460 -1.420 1.00 61.24 H new ATOM 0 HE1 MET A 1 3.652 -5.417 -4.311 1.00 0.44 H new ATOM 0 HE2 MET A 1 3.875 -5.161 -2.564 1.00 0.44 H new ATOM 0 HE3 MET A 1 2.235 -5.307 -3.240 1.00 0.44 H new ATOM 18 N ALA A 2 -1.274 -0.010 -1.727 1.00 55.34 N ATOM 19 CA ALA A 2 -2.593 0.496 -2.088 1.00 71.14 C ATOM 20 C ALA A 2 -2.627 2.020 -2.048 1.00 64.14 C ATOM 21 O ALA A 2 -2.612 2.679 -3.089 1.00 5.02 O ATOM 22 CB ALA A 2 -3.652 -0.082 -1.161 1.00 1.10 C ATOM 0 H ALA A 2 -1.221 -0.425 -0.797 1.00 55.34 H new ATOM 0 HA ALA A 2 -2.808 0.181 -3.109 1.00 71.14 H new ATOM 0 HB1 ALA A 2 -4.632 0.304 -1.442 1.00 1.10 H new ATOM 0 HB2 ALA A 2 -3.653 -1.169 -1.243 1.00 1.10 H new ATOM 0 HB3 ALA A 2 -3.431 0.204 -0.133 1.00 1.10 H new ATOM 28 N LEU A 3 -2.673 2.574 -0.842 1.00 40.31 N ATOM 29 CA LEU A 3 -2.709 4.022 -0.666 1.00 54.14 C ATOM 30 C LEU A 3 -1.526 4.499 0.169 1.00 11.15 C ATOM 31 O LEU A 3 -0.956 5.558 -0.092 1.00 3.43 O ATOM 32 CB LEU A 3 -4.021 4.442 -0.001 1.00 31.14 C ATOM 33 CG LEU A 3 -5.038 5.142 -0.903 1.00 3.32 C ATOM 34 CD1 LEU A 3 -6.311 4.318 -1.013 1.00 21.12 C ATOM 35 CD2 LEU A 3 -5.347 6.536 -0.377 1.00 5.35 C ATOM 0 H LEU A 3 -2.686 2.043 0.029 1.00 40.31 H new ATOM 0 HA LEU A 3 -2.644 4.485 -1.651 1.00 54.14 H new ATOM 0 HB2 LEU A 3 -4.491 3.554 0.422 1.00 31.14 H new ATOM 0 HB3 LEU A 3 -3.787 5.105 0.831 1.00 31.14 H new ATOM 0 HG LEU A 3 -4.605 5.238 -1.899 1.00 3.32 H new ATOM 0 HD11 LEU A 3 -7.023 4.832 -1.659 1.00 21.12 H new ATOM 0 HD12 LEU A 3 -6.077 3.341 -1.436 1.00 21.12 H new ATOM 0 HD13 LEU A 3 -6.747 4.189 -0.023 1.00 21.12 H new ATOM 0 HD21 LEU A 3 -6.072 7.019 -1.031 1.00 5.35 H new ATOM 0 HD22 LEU A 3 -5.759 6.462 0.629 1.00 5.35 H new ATOM 0 HD23 LEU A 3 -4.431 7.127 -0.352 1.00 5.35 H new ATOM 47 N ASP A 4 -1.161 3.710 1.174 1.00 74.33 N ATOM 48 CA ASP A 4 -0.044 4.050 2.046 1.00 25.53 C ATOM 49 C ASP A 4 -0.323 5.340 2.810 1.00 41.44 C ATOM 50 O ASP A 4 0.598 6.004 3.285 1.00 62.04 O ATOM 51 CB ASP A 4 1.243 4.193 1.231 1.00 75.40 C ATOM 52 CG ASP A 4 2.485 3.934 2.060 1.00 43.12 C ATOM 53 OD1 ASP A 4 2.562 2.861 2.694 1.00 4.41 O ATOM 54 OD2 ASP A 4 3.381 4.805 2.075 1.00 74.01 O ATOM 0 H ASP A 4 -1.623 2.830 1.404 1.00 74.33 H new ATOM 0 HA ASP A 4 0.080 3.242 2.767 1.00 25.53 H new ATOM 0 HB2 ASP A 4 1.218 3.497 0.393 1.00 75.40 H new ATOM 0 HB3 ASP A 4 1.293 5.197 0.810 1.00 75.40 H new ATOM 59 N ALA A 5 -1.600 5.691 2.922 1.00 20.22 N ATOM 60 CA ALA A 5 -2.001 6.901 3.628 1.00 4.51 C ATOM 61 C ALA A 5 -3.519 7.020 3.696 1.00 54.54 C ATOM 62 O ALA A 5 -4.241 6.133 3.244 1.00 75.22 O ATOM 63 CB ALA A 5 -1.403 8.128 2.954 1.00 24.42 C ATOM 0 H ALA A 5 -2.375 5.154 2.532 1.00 20.22 H new ATOM 0 HA ALA A 5 -1.622 6.839 4.648 1.00 4.51 H new ATOM 0 HB1 ALA A 5 -1.711 9.025 3.492 1.00 24.42 H new ATOM 0 HB2 ALA A 5 -0.316 8.055 2.963 1.00 24.42 H new ATOM 0 HB3 ALA A 5 -1.754 8.184 1.924 1.00 24.42 H new ATOM 69 N ASN A 6 -3.997 8.123 4.263 1.00 13.05 N ATOM 70 CA ASN A 6 -5.431 8.357 4.391 1.00 11.11 C ATOM 71 C ASN A 6 -6.096 7.239 5.189 1.00 40.43 C ATOM 72 O ASN A 6 -5.443 6.275 5.587 1.00 34.45 O ATOM 73 CB ASN A 6 -6.076 8.465 3.008 1.00 54.30 C ATOM 74 CG ASN A 6 -5.367 9.466 2.116 1.00 54.01 C ATOM 75 OD1 ASN A 6 -5.022 9.161 0.974 1.00 14.21 O ATOM 76 ND2 ASN A 6 -5.147 10.668 2.635 1.00 44.33 N ATOM 0 H ASN A 6 -3.413 8.869 4.641 1.00 13.05 H new ATOM 0 HA ASN A 6 -5.575 9.296 4.926 1.00 11.11 H new ATOM 0 HB2 ASN A 6 -6.068 7.486 2.529 1.00 54.30 H new ATOM 0 HB3 ASN A 6 -7.120 8.757 3.119 1.00 54.30 H new ATOM 0 HD21 ASN A 6 -4.674 11.383 2.082 1.00 44.33 H new ATOM 0 HD22 ASN A 6 -5.451 10.876 3.586 1.00 44.33 H new ATOM 83 N ASP A 7 -7.397 7.376 5.417 1.00 54.52 N ATOM 84 CA ASP A 7 -8.152 6.378 6.165 1.00 21.32 C ATOM 85 C ASP A 7 -8.763 5.342 5.226 1.00 12.52 C ATOM 86 O ASP A 7 -9.705 4.637 5.591 1.00 40.31 O ATOM 87 CB ASP A 7 -9.252 7.050 6.989 1.00 65.22 C ATOM 88 CG ASP A 7 -10.502 7.319 6.175 1.00 60.31 C ATOM 89 OD1 ASP A 7 -10.438 8.152 5.247 1.00 55.22 O ATOM 90 OD2 ASP A 7 -11.544 6.695 6.465 1.00 1.15 O ATOM 0 H ASP A 7 -7.951 8.169 5.094 1.00 54.52 H new ATOM 0 HA ASP A 7 -7.464 5.869 6.840 1.00 21.32 H new ATOM 0 HB2 ASP A 7 -9.505 6.415 7.839 1.00 65.22 H new ATOM 0 HB3 ASP A 7 -8.876 7.990 7.394 1.00 65.22 H new ATOM 95 N LEU A 8 -8.223 5.257 4.016 1.00 44.12 N ATOM 96 CA LEU A 8 -8.715 4.308 3.023 1.00 13.50 C ATOM 97 C LEU A 8 -8.239 2.894 3.338 1.00 34.02 C ATOM 98 O LEU A 8 -8.793 1.915 2.836 1.00 65.23 O ATOM 99 CB LEU A 8 -8.249 4.716 1.624 1.00 32.22 C ATOM 100 CG LEU A 8 -9.203 5.611 0.833 1.00 14.31 C ATOM 101 CD1 LEU A 8 -8.517 6.913 0.447 1.00 75.51 C ATOM 102 CD2 LEU A 8 -9.712 4.887 -0.405 1.00 21.44 C ATOM 0 H LEU A 8 -7.444 5.834 3.698 1.00 44.12 H new ATOM 0 HA LEU A 8 -9.804 4.320 3.054 1.00 13.50 H new ATOM 0 HB2 LEU A 8 -7.293 5.231 1.717 1.00 32.22 H new ATOM 0 HB3 LEU A 8 -8.068 3.811 1.045 1.00 32.22 H new ATOM 0 HG LEU A 8 -10.057 5.848 1.467 1.00 14.31 H new ATOM 0 HD11 LEU A 8 -9.211 7.537 -0.115 1.00 75.51 H new ATOM 0 HD12 LEU A 8 -8.203 7.440 1.348 1.00 75.51 H new ATOM 0 HD13 LEU A 8 -7.644 6.696 -0.169 1.00 75.51 H new ATOM 0 HD21 LEU A 8 -10.390 5.540 -0.955 1.00 21.44 H new ATOM 0 HD22 LEU A 8 -8.869 4.619 -1.042 1.00 21.44 H new ATOM 0 HD23 LEU A 8 -10.242 3.983 -0.106 1.00 21.44 H new ATOM 114 N LEU A 9 -7.212 2.794 4.174 1.00 31.34 N ATOM 115 CA LEU A 9 -6.662 1.498 4.559 1.00 15.44 C ATOM 116 C LEU A 9 -7.017 1.164 6.005 1.00 40.22 C ATOM 117 O LEU A 9 -7.343 2.039 6.808 1.00 64.40 O ATOM 118 CB LEU A 9 -5.143 1.493 4.381 1.00 53.43 C ATOM 119 CG LEU A 9 -4.433 2.823 4.639 1.00 62.45 C ATOM 120 CD1 LEU A 9 -4.557 3.219 6.101 1.00 2.25 C ATOM 121 CD2 LEU A 9 -2.969 2.733 4.230 1.00 15.25 C ATOM 0 H LEU A 9 -6.743 3.594 4.599 1.00 31.34 H new ATOM 0 HA LEU A 9 -7.100 0.738 3.912 1.00 15.44 H new ATOM 0 HB2 LEU A 9 -4.721 0.743 5.050 1.00 53.43 H new ATOM 0 HB3 LEU A 9 -4.917 1.175 3.363 1.00 53.43 H new ATOM 0 HG LEU A 9 -4.912 3.593 4.034 1.00 62.45 H new ATOM 0 HD11 LEU A 9 -4.046 4.168 6.266 1.00 2.25 H new ATOM 0 HD12 LEU A 9 -5.610 3.324 6.361 1.00 2.25 H new ATOM 0 HD13 LEU A 9 -4.104 2.450 6.726 1.00 2.25 H new ATOM 0 HD21 LEU A 9 -2.479 3.688 4.420 1.00 15.25 H new ATOM 0 HD22 LEU A 9 -2.477 1.951 4.808 1.00 15.25 H new ATOM 0 HD23 LEU A 9 -2.902 2.496 3.168 1.00 15.25 H new ATOM 133 N PRO A 10 -6.951 -0.131 6.346 1.00 21.22 N ATOM 134 CA PRO A 10 -7.259 -0.611 7.697 1.00 45.50 C ATOM 135 C PRO A 10 -6.206 -0.187 8.716 1.00 32.20 C ATOM 136 O PRO A 10 -5.096 0.215 8.367 1.00 30.03 O ATOM 137 CB PRO A 10 -7.268 -2.133 7.539 1.00 33.14 C ATOM 138 CG PRO A 10 -6.389 -2.398 6.367 1.00 62.25 C ATOM 139 CD PRO A 10 -6.570 -1.228 5.440 1.00 11.31 C ATOM 0 HA PRO A 10 -8.198 -0.202 8.071 1.00 45.50 H new ATOM 0 HB2 PRO A 10 -6.892 -2.626 8.435 1.00 33.14 H new ATOM 0 HB3 PRO A 10 -8.278 -2.507 7.369 1.00 33.14 H new ATOM 0 HG2 PRO A 10 -5.348 -2.495 6.674 1.00 62.25 H new ATOM 0 HG3 PRO A 10 -6.664 -3.331 5.876 1.00 62.25 H new ATOM 0 HD2 PRO A 10 -5.653 -1.000 4.897 1.00 11.31 H new ATOM 0 HD3 PRO A 10 -7.342 -1.421 4.695 1.00 11.31 H new ATOM 147 N PRO A 11 -6.560 -0.279 10.007 1.00 72.05 N ATOM 148 CA PRO A 11 -5.659 0.089 11.103 1.00 53.23 C ATOM 149 C PRO A 11 -4.497 -0.887 11.251 1.00 51.14 C ATOM 150 O PRO A 11 -3.484 -0.569 11.873 1.00 71.43 O ATOM 151 CB PRO A 11 -6.563 0.036 12.337 1.00 4.13 C ATOM 152 CG PRO A 11 -7.647 -0.918 11.973 1.00 63.53 C ATOM 153 CD PRO A 11 -7.867 -0.750 10.495 1.00 52.11 C ATOM 0 HA PRO A 11 -5.194 1.061 10.940 1.00 53.23 H new ATOM 0 HB2 PRO A 11 -6.014 -0.305 13.215 1.00 4.13 H new ATOM 0 HB3 PRO A 11 -6.966 1.020 12.575 1.00 4.13 H new ATOM 0 HG2 PRO A 11 -7.361 -1.943 12.211 1.00 63.53 H new ATOM 0 HG3 PRO A 11 -8.559 -0.704 12.530 1.00 63.53 H new ATOM 0 HD2 PRO A 11 -8.158 -1.688 10.023 1.00 52.11 H new ATOM 0 HD3 PRO A 11 -8.658 -0.029 10.286 1.00 52.11 H new ATOM 161 N GLU A 12 -4.651 -2.075 10.674 1.00 31.04 N ATOM 162 CA GLU A 12 -3.613 -3.097 10.744 1.00 73.04 C ATOM 163 C GLU A 12 -2.450 -2.754 9.817 1.00 22.55 C ATOM 164 O GLU A 12 -1.288 -3.001 10.143 1.00 13.33 O ATOM 165 CB GLU A 12 -4.189 -4.466 10.373 1.00 44.40 C ATOM 166 CG GLU A 12 -4.844 -4.500 9.002 1.00 5.43 C ATOM 167 CD GLU A 12 -3.977 -5.177 7.958 1.00 33.35 C ATOM 168 OE1 GLU A 12 -3.306 -6.173 8.301 1.00 3.04 O ATOM 169 OE2 GLU A 12 -3.970 -4.712 6.800 1.00 74.44 O ATOM 0 H GLU A 12 -5.483 -2.353 10.154 1.00 31.04 H new ATOM 0 HA GLU A 12 -3.241 -3.133 11.768 1.00 73.04 H new ATOM 0 HB2 GLU A 12 -3.390 -5.207 10.403 1.00 44.40 H new ATOM 0 HB3 GLU A 12 -4.923 -4.758 11.124 1.00 44.40 H new ATOM 0 HG2 GLU A 12 -5.798 -5.023 9.072 1.00 5.43 H new ATOM 0 HG3 GLU A 12 -5.062 -3.481 8.682 1.00 5.43 H new ATOM 176 N LYS A 13 -2.770 -2.185 8.660 1.00 32.34 N ATOM 177 CA LYS A 13 -1.754 -1.807 7.686 1.00 62.43 C ATOM 178 C LYS A 13 -1.407 -0.327 7.807 1.00 55.21 C ATOM 179 O LYS A 13 -0.396 0.129 7.275 1.00 3.10 O ATOM 180 CB LYS A 13 -2.239 -2.114 6.267 1.00 11.01 C ATOM 181 CG LYS A 13 -1.334 -1.558 5.181 1.00 14.12 C ATOM 182 CD LYS A 13 -1.836 -0.218 4.669 1.00 35.30 C ATOM 183 CE LYS A 13 -0.897 0.367 3.626 1.00 40.21 C ATOM 184 NZ LYS A 13 -1.468 0.278 2.253 1.00 4.23 N ATOM 0 H LYS A 13 -3.726 -1.975 8.374 1.00 32.34 H new ATOM 0 HA LYS A 13 -0.856 -2.390 7.891 1.00 62.43 H new ATOM 0 HB2 LYS A 13 -2.318 -3.194 6.145 1.00 11.01 H new ATOM 0 HB3 LYS A 13 -3.241 -1.705 6.138 1.00 11.01 H new ATOM 0 HG2 LYS A 13 -0.323 -1.444 5.572 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -1.278 -2.267 4.355 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -2.829 -0.341 4.238 1.00 35.30 H new ATOM 0 HD3 LYS A 13 -1.934 0.477 5.502 1.00 35.30 H new ATOM 0 HE2 LYS A 13 -0.691 1.410 3.867 1.00 40.21 H new ATOM 0 HE3 LYS A 13 0.056 -0.161 3.658 1.00 40.21 H new ATOM 0 HZ1 LYS A 13 -0.933 0.900 1.614 1.00 4.23 H new ATOM 0 HZ2 LYS A 13 -1.405 -0.703 1.914 1.00 4.23 H new ATOM 0 HZ3 LYS A 13 -2.465 0.575 2.272 1.00 4.23 H new ATOM 198 N ALA A 14 -2.253 0.418 8.511 1.00 11.31 N ATOM 199 CA ALA A 14 -2.034 1.846 8.705 1.00 50.30 C ATOM 200 C ALA A 14 -0.806 2.101 9.572 1.00 23.51 C ATOM 201 O ALA A 14 -0.180 3.157 9.485 1.00 44.03 O ATOM 202 CB ALA A 14 -3.264 2.489 9.328 1.00 54.23 C ATOM 0 H ALA A 14 -3.096 0.056 8.956 1.00 11.31 H new ATOM 0 HA ALA A 14 -1.857 2.296 7.728 1.00 50.30 H new ATOM 0 HB1 ALA A 14 -3.086 3.555 9.467 1.00 54.23 H new ATOM 0 HB2 ALA A 14 -4.121 2.347 8.670 1.00 54.23 H new ATOM 0 HB3 ALA A 14 -3.467 2.026 10.294 1.00 54.23 H new ATOM 208 N PHE A 15 -0.466 1.126 10.409 1.00 33.04 N ATOM 209 CA PHE A 15 0.687 1.245 11.294 1.00 12.21 C ATOM 210 C PHE A 15 1.733 0.182 10.971 1.00 54.22 C ATOM 211 O PHE A 15 1.411 -0.998 10.827 1.00 43.51 O ATOM 212 CB PHE A 15 0.250 1.120 12.755 1.00 24.32 C ATOM 213 CG PHE A 15 -1.018 1.861 13.068 1.00 71.13 C ATOM 214 CD1 PHE A 15 -1.141 3.208 12.766 1.00 35.40 C ATOM 215 CD2 PHE A 15 -2.087 1.211 13.663 1.00 73.24 C ATOM 216 CE1 PHE A 15 -2.307 3.892 13.053 1.00 33.13 C ATOM 217 CE2 PHE A 15 -3.256 1.890 13.952 1.00 61.11 C ATOM 218 CZ PHE A 15 -3.366 3.232 13.646 1.00 53.12 C ATOM 0 H PHE A 15 -0.973 0.245 10.493 1.00 33.04 H new ATOM 0 HA PHE A 15 1.133 2.227 11.138 1.00 12.21 H new ATOM 0 HB2 PHE A 15 0.114 0.066 12.996 1.00 24.32 H new ATOM 0 HB3 PHE A 15 1.047 1.494 13.397 1.00 24.32 H new ATOM 0 HD1 PHE A 15 -0.317 3.729 12.301 1.00 35.40 H new ATOM 0 HD2 PHE A 15 -2.006 0.161 13.904 1.00 73.24 H new ATOM 0 HE1 PHE A 15 -2.390 4.942 12.814 1.00 33.13 H new ATOM 0 HE2 PHE A 15 -4.082 1.372 14.416 1.00 61.11 H new ATOM 0 HZ PHE A 15 -4.278 3.765 13.870 1.00 53.12 H new ATOM 228 N VAL A 16 2.986 0.609 10.857 1.00 4.24 N ATOM 229 CA VAL A 16 4.081 -0.305 10.552 1.00 55.33 C ATOM 230 C VAL A 16 5.132 -0.292 11.656 1.00 72.23 C ATOM 231 O VAL A 16 6.168 0.365 11.553 1.00 31.01 O ATOM 232 CB VAL A 16 4.753 0.053 9.213 1.00 3.22 C ATOM 233 CG1 VAL A 16 5.748 -1.025 8.811 1.00 44.54 C ATOM 234 CG2 VAL A 16 3.706 0.256 8.128 1.00 22.44 C ATOM 0 H VAL A 16 3.269 1.582 10.971 1.00 4.24 H new ATOM 0 HA VAL A 16 3.650 -1.303 10.478 1.00 55.33 H new ATOM 0 HB VAL A 16 5.298 0.989 9.338 1.00 3.22 H new ATOM 0 HG11 VAL A 16 6.213 -0.755 7.863 1.00 44.54 H new ATOM 0 HG12 VAL A 16 6.516 -1.116 9.579 1.00 44.54 H new ATOM 0 HG13 VAL A 16 5.229 -1.977 8.703 1.00 44.54 H new ATOM 0 HG21 VAL A 16 4.199 0.508 7.189 1.00 22.44 H new ATOM 0 HG22 VAL A 16 3.131 -0.661 8.001 1.00 22.44 H new ATOM 0 HG23 VAL A 16 3.037 1.067 8.415 1.00 22.44 H new ATOM 244 N PRO A 17 4.861 -1.036 12.739 1.00 65.15 N ATOM 245 CA PRO A 17 5.773 -1.128 13.883 1.00 34.32 C ATOM 246 C PRO A 17 7.045 -1.899 13.550 1.00 24.33 C ATOM 247 O PRO A 17 7.001 -2.922 12.868 1.00 41.05 O ATOM 248 CB PRO A 17 4.950 -1.881 14.932 1.00 60.44 C ATOM 249 CG PRO A 17 3.964 -2.673 14.143 1.00 44.40 C ATOM 250 CD PRO A 17 3.646 -1.845 12.929 1.00 72.04 C ATOM 0 HA PRO A 17 6.114 -0.147 14.212 1.00 34.32 H new ATOM 0 HB2 PRO A 17 5.581 -2.528 15.541 1.00 60.44 H new ATOM 0 HB3 PRO A 17 4.450 -1.192 15.613 1.00 60.44 H new ATOM 0 HG2 PRO A 17 4.378 -3.640 13.858 1.00 44.40 H new ATOM 0 HG3 PRO A 17 3.065 -2.871 14.727 1.00 44.40 H new ATOM 0 HD2 PRO A 17 3.439 -2.469 12.060 1.00 72.04 H new ATOM 0 HD3 PRO A 17 2.768 -1.219 13.088 1.00 72.04 H new ATOM 258 N GLU A 18 8.178 -1.402 14.038 1.00 52.23 N ATOM 259 CA GLU A 18 9.463 -2.045 13.791 1.00 72.35 C ATOM 260 C GLU A 18 10.369 -1.938 15.013 1.00 2.25 C ATOM 261 O GLU A 18 10.572 -0.851 15.556 1.00 2.14 O ATOM 262 CB GLU A 18 10.149 -1.415 12.577 1.00 72.13 C ATOM 263 CG GLU A 18 11.241 -2.283 11.976 1.00 24.51 C ATOM 264 CD GLU A 18 11.056 -2.509 10.488 1.00 14.01 C ATOM 265 OE1 GLU A 18 10.073 -3.180 10.109 1.00 54.54 O ATOM 266 OE2 GLU A 18 11.892 -2.016 9.704 1.00 44.44 O ATOM 0 H GLU A 18 8.232 -0.557 14.606 1.00 52.23 H new ATOM 0 HA GLU A 18 9.279 -3.100 13.588 1.00 72.35 H new ATOM 0 HB2 GLU A 18 9.399 -1.209 11.813 1.00 72.13 H new ATOM 0 HB3 GLU A 18 10.578 -0.457 12.870 1.00 72.13 H new ATOM 0 HG2 GLU A 18 12.209 -1.814 12.151 1.00 24.51 H new ATOM 0 HG3 GLU A 18 11.256 -3.246 12.487 1.00 24.51 H new ATOM 273 N LEU A 19 10.911 -3.072 15.442 1.00 22.31 N ATOM 274 CA LEU A 19 11.796 -3.107 16.601 1.00 20.45 C ATOM 275 C LEU A 19 13.251 -3.261 16.171 1.00 4.43 C ATOM 276 O LEU A 19 13.545 -3.877 15.147 1.00 14.32 O ATOM 277 CB LEU A 19 11.404 -4.256 17.532 1.00 32.05 C ATOM 278 CG LEU A 19 11.341 -3.920 19.023 1.00 72.31 C ATOM 279 CD1 LEU A 19 9.919 -3.570 19.431 1.00 15.54 C ATOM 280 CD2 LEU A 19 11.865 -5.082 19.854 1.00 60.31 C ATOM 0 H LEU A 19 10.753 -3.980 15.005 1.00 22.31 H new ATOM 0 HA LEU A 19 11.692 -2.162 17.135 1.00 20.45 H new ATOM 0 HB2 LEU A 19 10.428 -4.631 17.223 1.00 32.05 H new ATOM 0 HB3 LEU A 19 12.117 -5.069 17.393 1.00 32.05 H new ATOM 0 HG LEU A 19 11.974 -3.052 19.208 1.00 72.31 H new ATOM 0 HD11 LEU A 19 9.893 -3.334 20.495 1.00 15.54 H new ATOM 0 HD12 LEU A 19 9.578 -2.707 18.859 1.00 15.54 H new ATOM 0 HD13 LEU A 19 9.264 -4.418 19.232 1.00 15.54 H new ATOM 0 HD21 LEU A 19 11.813 -4.825 20.912 1.00 60.31 H new ATOM 0 HD22 LEU A 19 11.258 -5.967 19.665 1.00 60.31 H new ATOM 0 HD23 LEU A 19 12.900 -5.287 19.581 1.00 60.31 H new ATOM 292 N ALA A 20 14.159 -2.698 16.962 1.00 1.41 N ATOM 293 CA ALA A 20 15.584 -2.775 16.665 1.00 21.44 C ATOM 294 C ALA A 20 16.410 -2.820 17.947 1.00 51.14 C ATOM 295 O ALA A 20 16.590 -1.803 18.617 1.00 71.02 O ATOM 296 CB ALA A 20 16.009 -1.596 15.802 1.00 34.53 C ATOM 0 H ALA A 20 13.933 -2.184 17.813 1.00 1.41 H new ATOM 0 HA ALA A 20 15.765 -3.698 16.114 1.00 21.44 H new ATOM 0 HB1 ALA A 20 17.076 -1.667 15.588 1.00 34.53 H new ATOM 0 HB2 ALA A 20 15.450 -1.610 14.866 1.00 34.53 H new ATOM 0 HB3 ALA A 20 15.806 -0.665 16.332 1.00 34.53 H new ATOM 302 N VAL A 21 16.910 -4.005 18.282 1.00 33.02 N ATOM 303 CA VAL A 21 17.717 -4.182 19.483 1.00 1.13 C ATOM 304 C VAL A 21 19.065 -3.484 19.347 1.00 45.41 C ATOM 305 O VAL A 21 19.710 -3.554 18.301 1.00 75.43 O ATOM 306 CB VAL A 21 17.952 -5.673 19.787 1.00 63.51 C ATOM 307 CG1 VAL A 21 18.999 -5.838 20.878 1.00 3.10 C ATOM 308 CG2 VAL A 21 16.648 -6.348 20.182 1.00 34.44 C ATOM 0 H VAL A 21 16.770 -4.857 17.738 1.00 33.02 H new ATOM 0 HA VAL A 21 17.161 -3.734 20.307 1.00 1.13 H new ATOM 0 HB VAL A 21 18.325 -6.155 18.883 1.00 63.51 H new ATOM 0 HG11 VAL A 21 19.151 -6.898 21.079 1.00 3.10 H new ATOM 0 HG12 VAL A 21 19.938 -5.392 20.551 1.00 3.10 H new ATOM 0 HG13 VAL A 21 18.659 -5.342 21.787 1.00 3.10 H new ATOM 0 HG21 VAL A 21 16.833 -7.401 20.393 1.00 34.44 H new ATOM 0 HG22 VAL A 21 16.243 -5.865 21.071 1.00 34.44 H new ATOM 0 HG23 VAL A 21 15.932 -6.262 19.365 1.00 34.44 H new ATOM 318 N ALA A 22 19.487 -2.809 20.412 1.00 71.32 N ATOM 319 CA ALA A 22 20.760 -2.100 20.412 1.00 2.01 C ATOM 320 C ALA A 22 21.629 -2.532 21.588 1.00 21.14 C ATOM 321 O ALA A 22 21.249 -3.410 22.363 1.00 23.14 O ATOM 322 CB ALA A 22 20.527 -0.597 20.450 1.00 40.11 C ATOM 0 H ALA A 22 18.965 -2.739 21.286 1.00 71.32 H new ATOM 0 HA ALA A 22 21.288 -2.352 19.492 1.00 2.01 H new ATOM 0 HB1 ALA A 22 21.487 -0.080 20.450 1.00 40.11 H new ATOM 0 HB2 ALA A 22 19.952 -0.296 19.574 1.00 40.11 H new ATOM 0 HB3 ALA A 22 19.975 -0.337 21.353 1.00 40.11 H new ATOM 328 N ASP A 23 22.796 -1.911 21.715 1.00 4.11 N ATOM 329 CA ASP A 23 23.719 -2.231 22.798 1.00 65.33 C ATOM 330 C ASP A 23 23.455 -1.351 24.015 1.00 22.25 C ATOM 331 O ASP A 23 23.897 -1.658 25.123 1.00 42.31 O ATOM 332 CB ASP A 23 25.166 -2.058 22.332 1.00 52.54 C ATOM 333 CG ASP A 23 26.114 -3.022 23.016 1.00 63.33 C ATOM 334 OD1 ASP A 23 26.562 -2.717 24.141 1.00 54.54 O ATOM 335 OD2 ASP A 23 26.410 -4.083 22.426 1.00 42.34 O ATOM 0 H ASP A 23 23.126 -1.183 21.081 1.00 4.11 H new ATOM 0 HA ASP A 23 23.559 -3.271 23.083 1.00 65.33 H new ATOM 0 HB2 ASP A 23 25.217 -2.207 21.253 1.00 52.54 H new ATOM 0 HB3 ASP A 23 25.488 -1.035 22.529 1.00 52.54 H new ATOM 340 N ASP A 24 22.733 -0.257 23.802 1.00 3.34 N ATOM 341 CA ASP A 24 22.410 0.668 24.882 1.00 0.44 C ATOM 342 C ASP A 24 20.908 0.692 25.146 1.00 33.14 C ATOM 343 O ASP A 24 20.406 1.558 25.862 1.00 43.24 O ATOM 344 CB ASP A 24 22.903 2.076 24.542 1.00 73.32 C ATOM 345 CG ASP A 24 24.067 2.508 25.411 1.00 20.23 C ATOM 346 OD1 ASP A 24 24.002 2.293 26.640 1.00 10.41 O ATOM 347 OD2 ASP A 24 25.044 3.059 24.863 1.00 53.41 O ATOM 0 H ASP A 24 22.360 0.011 22.891 1.00 3.34 H new ATOM 0 HA ASP A 24 22.914 0.323 25.785 1.00 0.44 H new ATOM 0 HB2 ASP A 24 23.203 2.109 23.495 1.00 73.32 H new ATOM 0 HB3 ASP A 24 22.082 2.784 24.661 1.00 73.32 H new ATOM 352 N GLY A 25 20.194 -0.266 24.562 1.00 21.25 N ATOM 353 CA GLY A 25 18.756 -0.336 24.746 1.00 62.43 C ATOM 354 C GLY A 25 18.036 -0.812 23.500 1.00 74.11 C ATOM 355 O GLY A 25 18.663 -1.294 22.556 1.00 0.35 O ATOM 0 H GLY A 25 20.586 -0.994 23.965 1.00 21.25 H new ATOM 0 HA2 GLY A 25 18.531 -1.010 25.572 1.00 62.43 H new ATOM 0 HA3 GLY A 25 18.380 0.648 25.026 1.00 62.43 H new ATOM 359 N VAL A 26 16.713 -0.679 23.496 1.00 50.01 N ATOM 360 CA VAL A 26 15.906 -1.099 22.357 1.00 73.31 C ATOM 361 C VAL A 26 15.183 0.087 21.728 1.00 65.44 C ATOM 362 O VAL A 26 14.655 0.948 22.429 1.00 33.33 O ATOM 363 CB VAL A 26 14.867 -2.161 22.766 1.00 1.51 C ATOM 364 CG1 VAL A 26 14.076 -2.629 21.554 1.00 21.03 C ATOM 365 CG2 VAL A 26 15.548 -3.334 23.455 1.00 52.31 C ATOM 0 H VAL A 26 16.178 -0.284 24.269 1.00 50.01 H new ATOM 0 HA VAL A 26 16.590 -1.532 21.627 1.00 73.31 H new ATOM 0 HB VAL A 26 14.170 -1.710 23.472 1.00 1.51 H new ATOM 0 HG11 VAL A 26 13.347 -3.379 21.862 1.00 21.03 H new ATOM 0 HG12 VAL A 26 13.557 -1.780 21.108 1.00 21.03 H new ATOM 0 HG13 VAL A 26 14.756 -3.064 20.821 1.00 21.03 H new ATOM 0 HG21 VAL A 26 14.800 -4.075 23.737 1.00 52.31 H new ATOM 0 HG22 VAL A 26 16.269 -3.787 22.774 1.00 52.31 H new ATOM 0 HG23 VAL A 26 16.064 -2.982 24.348 1.00 52.31 H new ATOM 375 N ASN A 27 15.165 0.124 20.399 1.00 10.22 N ATOM 376 CA ASN A 27 14.507 1.205 19.674 1.00 3.32 C ATOM 377 C ASN A 27 13.373 0.667 18.807 1.00 44.55 C ATOM 378 O ASN A 27 13.576 -0.227 17.985 1.00 42.40 O ATOM 379 CB ASN A 27 15.519 1.953 18.804 1.00 4.52 C ATOM 380 CG ASN A 27 16.270 3.020 19.578 1.00 63.20 C ATOM 381 OD1 ASN A 27 16.599 2.836 20.750 1.00 3.10 O ATOM 382 ND2 ASN A 27 16.545 4.142 18.924 1.00 52.42 N ATOM 0 H ASN A 27 15.598 -0.581 19.803 1.00 10.22 H new ATOM 0 HA ASN A 27 14.085 1.896 20.404 1.00 3.32 H new ATOM 0 HB2 ASN A 27 16.232 1.241 18.387 1.00 4.52 H new ATOM 0 HB3 ASN A 27 15.001 2.415 17.964 1.00 4.52 H new ATOM 0 HD21 ASN A 27 17.049 4.895 19.393 1.00 52.42 H new ATOM 0 HD22 ASN A 27 16.253 4.251 17.953 1.00 52.42 H new ATOM 389 N VAL A 28 12.179 1.219 18.995 1.00 52.23 N ATOM 390 CA VAL A 28 11.012 0.797 18.229 1.00 63.24 C ATOM 391 C VAL A 28 10.397 1.969 17.473 1.00 12.44 C ATOM 392 O VAL A 28 10.120 3.019 18.055 1.00 64.15 O ATOM 393 CB VAL A 28 9.941 0.167 19.139 1.00 50.42 C ATOM 394 CG1 VAL A 28 9.445 1.180 20.159 1.00 11.43 C ATOM 395 CG2 VAL A 28 8.787 -0.373 18.308 1.00 62.23 C ATOM 0 H VAL A 28 11.994 1.960 19.671 1.00 52.23 H new ATOM 0 HA VAL A 28 11.356 0.049 17.515 1.00 63.24 H new ATOM 0 HB VAL A 28 10.391 -0.666 19.679 1.00 50.42 H new ATOM 0 HG11 VAL A 28 8.689 0.717 20.793 1.00 11.43 H new ATOM 0 HG12 VAL A 28 10.280 1.515 20.775 1.00 11.43 H new ATOM 0 HG13 VAL A 28 9.010 2.035 19.641 1.00 11.43 H new ATOM 0 HG21 VAL A 28 8.039 -0.815 18.967 1.00 62.23 H new ATOM 0 HG22 VAL A 28 8.335 0.441 17.741 1.00 62.23 H new ATOM 0 HG23 VAL A 28 9.158 -1.133 17.620 1.00 62.23 H new ATOM 405 N ARG A 29 10.184 1.783 16.175 1.00 42.53 N ATOM 406 CA ARG A 29 9.601 2.826 15.339 1.00 44.30 C ATOM 407 C ARG A 29 8.405 2.292 14.558 1.00 74.41 C ATOM 408 O ARG A 29 8.506 1.283 13.860 1.00 61.52 O ATOM 409 CB ARG A 29 10.649 3.379 14.372 1.00 45.35 C ATOM 410 CG ARG A 29 10.132 4.506 13.492 1.00 22.11 C ATOM 411 CD ARG A 29 9.509 3.972 12.212 1.00 44.03 C ATOM 412 NE ARG A 29 9.914 4.747 11.042 1.00 63.33 N ATOM 413 CZ ARG A 29 11.092 4.611 10.442 1.00 10.33 C ATOM 414 NH1 ARG A 29 11.976 3.736 10.900 1.00 31.42 N ATOM 415 NH2 ARG A 29 11.387 5.353 9.382 1.00 22.50 N ATOM 0 H ARG A 29 10.406 0.920 15.679 1.00 42.53 H new ATOM 0 HA ARG A 29 9.258 3.629 15.991 1.00 44.30 H new ATOM 0 HB2 ARG A 29 11.504 3.739 14.944 1.00 45.35 H new ATOM 0 HB3 ARG A 29 11.008 2.569 13.737 1.00 45.35 H new ATOM 0 HG2 ARG A 29 9.393 5.089 14.042 1.00 22.11 H new ATOM 0 HG3 ARG A 29 10.951 5.181 13.245 1.00 22.11 H new ATOM 0 HD2 ARG A 29 9.799 2.930 12.075 1.00 44.03 H new ATOM 0 HD3 ARG A 29 8.423 3.992 12.302 1.00 44.03 H new ATOM 0 HE ARG A 29 9.257 5.430 10.665 1.00 63.33 H new ATOM 0 HH11 ARG A 29 11.753 3.165 11.715 1.00 31.42 H new ATOM 0 HH12 ARG A 29 12.879 3.634 10.437 1.00 31.42 H new ATOM 0 HH21 ARG A 29 10.709 6.028 9.027 1.00 22.50 H new ATOM 0 HH22 ARG A 29 12.291 5.248 8.922 1.00 22.50 H new ATOM 429 N PHE A 30 7.271 2.974 14.681 1.00 3.52 N ATOM 430 CA PHE A 30 6.054 2.568 13.988 1.00 23.43 C ATOM 431 C PHE A 30 5.587 3.655 13.025 1.00 4.11 C ATOM 432 O PHE A 30 5.310 4.783 13.433 1.00 11.10 O ATOM 433 CB PHE A 30 4.948 2.255 14.998 1.00 53.13 C ATOM 434 CG PHE A 30 5.272 2.693 16.397 1.00 31.24 C ATOM 435 CD1 PHE A 30 6.060 1.903 17.219 1.00 3.41 C ATOM 436 CD2 PHE A 30 4.789 3.894 16.891 1.00 31.23 C ATOM 437 CE1 PHE A 30 6.359 2.304 18.508 1.00 65.43 C ATOM 438 CE2 PHE A 30 5.085 4.299 18.179 1.00 1.41 C ATOM 439 CZ PHE A 30 5.872 3.504 18.988 1.00 63.51 C ATOM 0 H PHE A 30 7.170 3.811 15.255 1.00 3.52 H new ATOM 0 HA PHE A 30 6.276 1.670 13.412 1.00 23.43 H new ATOM 0 HB2 PHE A 30 4.027 2.741 14.678 1.00 53.13 H new ATOM 0 HB3 PHE A 30 4.759 1.182 14.997 1.00 53.13 H new ATOM 0 HD1 PHE A 30 6.445 0.964 16.849 1.00 3.41 H new ATOM 0 HD2 PHE A 30 4.174 4.521 16.262 1.00 31.23 H new ATOM 0 HE1 PHE A 30 6.973 1.679 19.139 1.00 65.43 H new ATOM 0 HE2 PHE A 30 4.701 5.237 18.552 1.00 1.41 H new ATOM 0 HZ PHE A 30 6.106 3.820 19.994 1.00 63.51 H new ATOM 449 N ARG A 31 5.504 3.307 11.745 1.00 0.51 N ATOM 450 CA ARG A 31 5.073 4.253 10.723 1.00 11.50 C ATOM 451 C ARG A 31 3.552 4.267 10.601 1.00 31.52 C ATOM 452 O ARG A 31 2.943 3.274 10.201 1.00 21.32 O ATOM 453 CB ARG A 31 5.700 3.900 9.373 1.00 23.14 C ATOM 454 CG ARG A 31 7.215 3.784 9.418 1.00 42.24 C ATOM 455 CD ARG A 31 7.857 4.391 8.180 1.00 73.04 C ATOM 456 NE ARG A 31 8.943 3.562 7.664 1.00 51.12 N ATOM 457 CZ ARG A 31 9.498 3.738 6.470 1.00 23.01 C ATOM 458 NH1 ARG A 31 9.072 4.708 5.673 1.00 0.23 N ATOM 459 NH2 ARG A 31 10.483 2.943 6.071 1.00 32.43 N ATOM 0 H ARG A 31 5.729 2.377 11.391 1.00 0.51 H new ATOM 0 HA ARG A 31 5.406 5.247 11.021 1.00 11.50 H new ATOM 0 HB2 ARG A 31 5.282 2.956 9.023 1.00 23.14 H new ATOM 0 HB3 ARG A 31 5.424 4.661 8.643 1.00 23.14 H new ATOM 0 HG2 ARG A 31 7.593 4.286 10.309 1.00 42.24 H new ATOM 0 HG3 ARG A 31 7.498 2.735 9.499 1.00 42.24 H new ATOM 0 HD2 ARG A 31 7.101 4.520 7.406 1.00 73.04 H new ATOM 0 HD3 ARG A 31 8.241 5.383 8.420 1.00 73.04 H new ATOM 0 HE ARG A 31 9.294 2.807 8.253 1.00 51.12 H new ATOM 0 HH11 ARG A 31 8.316 5.322 5.976 1.00 0.23 H new ATOM 0 HH12 ARG A 31 9.500 4.840 4.757 1.00 0.23 H new ATOM 0 HH21 ARG A 31 10.815 2.196 6.681 1.00 32.43 H new ATOM 0 HH22 ARG A 31 10.908 3.079 5.154 1.00 32.43 H new ATOM 473 N ILE A 32 2.945 5.396 10.949 1.00 44.41 N ATOM 474 CA ILE A 32 1.496 5.538 10.878 1.00 45.22 C ATOM 475 C ILE A 32 1.074 6.226 9.584 1.00 62.42 C ATOM 476 O ILE A 32 1.792 7.076 9.058 1.00 70.42 O ATOM 477 CB ILE A 32 0.950 6.340 12.074 1.00 71.11 C ATOM 478 CG1 ILE A 32 1.288 5.632 13.388 1.00 73.15 C ATOM 479 CG2 ILE A 32 -0.553 6.532 11.940 1.00 34.45 C ATOM 480 CD1 ILE A 32 2.004 6.517 14.384 1.00 73.40 C ATOM 0 H ILE A 32 3.434 6.226 11.283 1.00 44.41 H new ATOM 0 HA ILE A 32 1.078 4.532 10.905 1.00 45.22 H new ATOM 0 HB ILE A 32 1.423 7.322 12.081 1.00 71.11 H new ATOM 0 HG12 ILE A 32 0.367 5.262 13.839 1.00 73.15 H new ATOM 0 HG13 ILE A 32 1.910 4.763 13.174 1.00 73.15 H new ATOM 0 HG21 ILE A 32 -0.925 7.100 12.793 1.00 34.45 H new ATOM 0 HG22 ILE A 32 -0.770 7.074 11.020 1.00 34.45 H new ATOM 0 HG23 ILE A 32 -1.043 5.559 11.912 1.00 34.45 H new ATOM 0 HD11 ILE A 32 2.212 5.950 15.291 1.00 73.40 H new ATOM 0 HD12 ILE A 32 2.942 6.867 13.952 1.00 73.40 H new ATOM 0 HD13 ILE A 32 1.375 7.373 14.628 1.00 73.40 H new ATOM 492 N ALA A 33 -0.096 5.853 9.077 1.00 73.32 N ATOM 493 CA ALA A 33 -0.617 6.436 7.846 1.00 24.05 C ATOM 494 C ALA A 33 -0.888 7.927 8.018 1.00 60.34 C ATOM 495 O ALA A 33 -1.235 8.383 9.107 1.00 54.10 O ATOM 496 CB ALA A 33 -1.884 5.713 7.414 1.00 3.03 C ATOM 0 H ALA A 33 -0.702 5.149 9.500 1.00 73.32 H new ATOM 0 HA ALA A 33 0.138 6.317 7.069 1.00 24.05 H new ATOM 0 HB1 ALA A 33 -2.262 6.159 6.494 1.00 3.03 H new ATOM 0 HB2 ALA A 33 -1.661 4.660 7.242 1.00 3.03 H new ATOM 0 HB3 ALA A 33 -2.638 5.801 8.196 1.00 3.03 H new ATOM 502 N ASP A 34 -0.727 8.681 6.936 1.00 64.42 N ATOM 503 CA ASP A 34 -0.955 10.121 6.966 1.00 23.43 C ATOM 504 C ASP A 34 -2.399 10.434 7.344 1.00 51.11 C ATOM 505 O ASP A 34 -2.719 11.554 7.740 1.00 42.21 O ATOM 506 CB ASP A 34 -0.624 10.740 5.607 1.00 22.25 C ATOM 507 CG ASP A 34 -0.036 12.132 5.733 1.00 32.32 C ATOM 508 OD1 ASP A 34 -0.768 13.049 6.161 1.00 73.11 O ATOM 509 OD2 ASP A 34 1.156 12.304 5.405 1.00 61.33 O ATOM 0 H ASP A 34 -0.439 8.319 6.027 1.00 64.42 H new ATOM 0 HA ASP A 34 -0.299 10.553 7.722 1.00 23.43 H new ATOM 0 HB2 ASP A 34 0.081 10.097 5.080 1.00 22.25 H new ATOM 0 HB3 ASP A 34 -1.529 10.784 5.001 1.00 22.25 H new ATOM 514 N GLY A 35 -3.269 9.436 7.217 1.00 3.24 N ATOM 515 CA GLY A 35 -4.669 9.626 7.548 1.00 1.00 C ATOM 516 C GLY A 35 -4.987 9.228 8.976 1.00 45.51 C ATOM 517 O GLY A 35 -6.148 9.228 9.384 1.00 52.42 O ATOM 0 H GLY A 35 -3.029 8.500 6.891 1.00 3.24 H new ATOM 0 HA2 GLY A 35 -4.936 10.672 7.398 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -5.283 9.039 6.865 1.00 1.00 H new ATOM 521 N TYR A 36 -3.953 8.887 9.737 1.00 2.30 N ATOM 522 CA TYR A 36 -4.128 8.482 11.127 1.00 63.55 C ATOM 523 C TYR A 36 -3.159 9.228 12.038 1.00 24.02 C ATOM 524 O TYR A 36 -2.169 9.798 11.578 1.00 71.04 O ATOM 525 CB TYR A 36 -3.920 6.973 11.269 1.00 32.22 C ATOM 526 CG TYR A 36 -5.057 6.149 10.708 1.00 15.42 C ATOM 527 CD1 TYR A 36 -6.347 6.278 11.209 1.00 71.33 C ATOM 528 CD2 TYR A 36 -4.842 5.244 9.677 1.00 72.43 C ATOM 529 CE1 TYR A 36 -7.389 5.527 10.700 1.00 61.24 C ATOM 530 CE2 TYR A 36 -5.878 4.490 9.160 1.00 33.44 C ATOM 531 CZ TYR A 36 -7.150 4.634 9.675 1.00 5.45 C ATOM 532 OH TYR A 36 -8.185 3.886 9.165 1.00 61.44 O ATOM 0 H TYR A 36 -2.985 8.883 9.415 1.00 2.30 H new ATOM 0 HA TYR A 36 -5.145 8.732 11.427 1.00 63.55 H new ATOM 0 HB2 TYR A 36 -2.996 6.693 10.763 1.00 32.22 H new ATOM 0 HB3 TYR A 36 -3.792 6.730 12.324 1.00 32.22 H new ATOM 0 HD1 TYR A 36 -6.538 6.977 12.010 1.00 71.33 H new ATOM 0 HD2 TYR A 36 -3.848 5.127 9.272 1.00 72.43 H new ATOM 0 HE1 TYR A 36 -8.385 5.638 11.102 1.00 61.24 H new ATOM 0 HE2 TYR A 36 -5.693 3.792 8.357 1.00 33.44 H new ATOM 0 HH TYR A 36 -7.855 3.331 8.427 1.00 61.44 H new ATOM 542 N TYR A 37 -3.450 9.219 13.334 1.00 13.40 N ATOM 543 CA TYR A 37 -2.607 9.897 14.312 1.00 60.42 C ATOM 544 C TYR A 37 -2.750 9.258 15.690 1.00 12.00 C ATOM 545 O TYR A 37 -3.858 8.967 16.139 1.00 14.44 O ATOM 546 CB TYR A 37 -2.967 11.381 14.386 1.00 41.45 C ATOM 547 CG TYR A 37 -4.392 11.638 14.821 1.00 2.21 C ATOM 548 CD1 TYR A 37 -4.720 11.736 16.168 1.00 74.33 C ATOM 549 CD2 TYR A 37 -5.410 11.782 13.887 1.00 43.25 C ATOM 550 CE1 TYR A 37 -6.021 11.970 16.571 1.00 60.55 C ATOM 551 CE2 TYR A 37 -6.713 12.018 14.280 1.00 23.31 C ATOM 552 CZ TYR A 37 -7.013 12.110 15.623 1.00 14.31 C ATOM 553 OH TYR A 37 -8.310 12.343 16.019 1.00 15.32 O ATOM 0 H TYR A 37 -4.263 8.750 13.732 1.00 13.40 H new ATOM 0 HA TYR A 37 -1.570 9.798 13.991 1.00 60.42 H new ATOM 0 HB2 TYR A 37 -2.289 11.876 15.081 1.00 41.45 H new ATOM 0 HB3 TYR A 37 -2.807 11.834 13.408 1.00 41.45 H new ATOM 0 HD1 TYR A 37 -3.945 11.627 16.912 1.00 74.33 H new ATOM 0 HD2 TYR A 37 -5.179 11.708 12.835 1.00 43.25 H new ATOM 0 HE1 TYR A 37 -6.260 12.043 17.622 1.00 60.55 H new ATOM 0 HE2 TYR A 37 -7.492 12.130 13.540 1.00 23.31 H new ATOM 0 HH TYR A 37 -8.885 12.418 15.229 1.00 15.32 H new ATOM 563 N MET A 38 -1.620 9.043 16.356 1.00 52.42 N ATOM 564 CA MET A 38 -1.619 8.441 17.684 1.00 43.11 C ATOM 565 C MET A 38 -1.134 9.438 18.732 1.00 30.42 C ATOM 566 O MET A 38 -0.226 10.229 18.477 1.00 12.20 O ATOM 567 CB MET A 38 -0.733 7.194 17.701 1.00 62.03 C ATOM 568 CG MET A 38 -1.490 5.907 17.419 1.00 74.41 C ATOM 569 SD MET A 38 -0.535 4.741 16.429 1.00 52.23 S ATOM 570 CE MET A 38 1.039 4.783 17.282 1.00 43.14 C ATOM 0 H MET A 38 -0.694 9.277 15.998 1.00 52.42 H new ATOM 0 HA MET A 38 -2.642 8.154 17.927 1.00 43.11 H new ATOM 0 HB2 MET A 38 0.058 7.310 16.960 1.00 62.03 H new ATOM 0 HB3 MET A 38 -0.249 7.115 18.675 1.00 62.03 H new ATOM 0 HG2 MET A 38 -1.763 5.437 18.364 1.00 74.41 H new ATOM 0 HG3 MET A 38 -2.419 6.143 16.900 1.00 74.41 H new ATOM 0 HE1 MET A 38 1.755 4.152 16.756 1.00 43.14 H new ATOM 0 HE2 MET A 38 1.410 5.807 17.310 1.00 43.14 H new ATOM 0 HE3 MET A 38 0.911 4.416 18.300 1.00 43.14 H new ATOM 580 N TYR A 39 -1.745 9.393 19.911 1.00 42.21 N ATOM 581 CA TYR A 39 -1.377 10.294 20.997 1.00 40.23 C ATOM 582 C TYR A 39 -0.148 9.779 21.739 1.00 2.13 C ATOM 583 O TYR A 39 -0.166 8.689 22.310 1.00 74.12 O ATOM 584 CB TYR A 39 -2.545 10.456 21.971 1.00 22.32 C ATOM 585 CG TYR A 39 -3.874 10.693 21.290 1.00 44.11 C ATOM 586 CD1 TYR A 39 -4.286 11.978 20.958 1.00 72.34 C ATOM 587 CD2 TYR A 39 -4.717 9.634 20.979 1.00 22.54 C ATOM 588 CE1 TYR A 39 -5.500 12.200 20.336 1.00 63.33 C ATOM 589 CE2 TYR A 39 -5.931 9.846 20.356 1.00 32.13 C ATOM 590 CZ TYR A 39 -6.318 11.131 20.037 1.00 73.33 C ATOM 591 OH TYR A 39 -7.528 11.347 19.417 1.00 20.53 O ATOM 0 H TYR A 39 -2.497 8.743 20.139 1.00 42.21 H new ATOM 0 HA TYR A 39 -1.137 11.265 20.564 1.00 40.23 H new ATOM 0 HB2 TYR A 39 -2.618 9.561 22.590 1.00 22.32 H new ATOM 0 HB3 TYR A 39 -2.336 11.290 22.640 1.00 22.32 H new ATOM 0 HD1 TYR A 39 -3.647 12.817 21.190 1.00 72.34 H new ATOM 0 HD2 TYR A 39 -4.418 8.627 21.229 1.00 22.54 H new ATOM 0 HE1 TYR A 39 -5.806 13.205 20.086 1.00 63.33 H new ATOM 0 HE2 TYR A 39 -6.574 9.011 20.120 1.00 32.13 H new ATOM 0 HH TYR A 39 -7.981 10.490 19.276 1.00 20.53 H new ATOM 601 N GLN A 40 0.918 10.573 21.727 1.00 24.40 N ATOM 602 CA GLN A 40 2.157 10.197 22.399 1.00 51.50 C ATOM 603 C GLN A 40 1.886 9.754 23.833 1.00 55.12 C ATOM 604 O GLN A 40 2.525 8.833 24.339 1.00 32.52 O ATOM 605 CB GLN A 40 3.140 11.369 22.392 1.00 24.04 C ATOM 606 CG GLN A 40 3.583 11.784 20.999 1.00 63.34 C ATOM 607 CD GLN A 40 3.856 10.597 20.096 1.00 62.13 C ATOM 608 OE1 GLN A 40 4.929 9.995 20.149 1.00 3.30 O ATOM 609 NE2 GLN A 40 2.884 10.253 19.259 1.00 33.04 N ATOM 0 H GLN A 40 0.949 11.479 21.260 1.00 24.40 H new ATOM 0 HA GLN A 40 2.596 9.360 21.857 1.00 51.50 H new ATOM 0 HB2 GLN A 40 2.677 12.223 22.886 1.00 24.04 H new ATOM 0 HB3 GLN A 40 4.018 11.099 22.978 1.00 24.04 H new ATOM 0 HG2 GLN A 40 2.812 12.409 20.548 1.00 63.34 H new ATOM 0 HG3 GLN A 40 4.484 12.393 21.075 1.00 63.34 H new ATOM 0 HE21 GLN A 40 2.010 10.779 19.248 1.00 33.04 H new ATOM 0 HE22 GLN A 40 3.011 9.462 18.627 1.00 33.04 H new ATOM 618 N ALA A 41 0.934 10.417 24.482 1.00 73.43 N ATOM 619 CA ALA A 41 0.577 10.090 25.857 1.00 71.44 C ATOM 620 C ALA A 41 -0.105 8.728 25.938 1.00 50.12 C ATOM 621 O ALA A 41 0.089 7.981 26.897 1.00 62.21 O ATOM 622 CB ALA A 41 -0.324 11.169 26.439 1.00 21.31 C ATOM 0 H ALA A 41 0.396 11.184 24.078 1.00 73.43 H new ATOM 0 HA ALA A 41 1.495 10.043 26.443 1.00 71.44 H new ATOM 0 HB1 ALA A 41 -0.583 10.912 27.466 1.00 21.31 H new ATOM 0 HB2 ALA A 41 0.198 12.126 26.425 1.00 21.31 H new ATOM 0 HB3 ALA A 41 -1.234 11.244 25.843 1.00 21.31 H new ATOM 628 N LYS A 42 -0.906 8.411 24.926 1.00 45.22 N ATOM 629 CA LYS A 42 -1.617 7.139 24.881 1.00 3.14 C ATOM 630 C LYS A 42 -0.679 6.005 24.479 1.00 10.32 C ATOM 631 O LYS A 42 -0.826 4.873 24.941 1.00 43.13 O ATOM 632 CB LYS A 42 -2.787 7.220 23.899 1.00 34.21 C ATOM 633 CG LYS A 42 -3.920 6.262 24.223 1.00 35.42 C ATOM 634 CD LYS A 42 -4.571 6.597 25.555 1.00 64.01 C ATOM 635 CE LYS A 42 -4.287 5.527 26.598 1.00 15.35 C ATOM 636 NZ LYS A 42 -4.034 6.117 27.942 1.00 25.32 N ATOM 0 H LYS A 42 -1.079 9.019 24.125 1.00 45.22 H new ATOM 0 HA LYS A 42 -2.002 6.931 25.879 1.00 3.14 H new ATOM 0 HB2 LYS A 42 -3.175 8.239 23.892 1.00 34.21 H new ATOM 0 HB3 LYS A 42 -2.422 7.011 22.894 1.00 34.21 H new ATOM 0 HG2 LYS A 42 -4.668 6.301 23.431 1.00 35.42 H new ATOM 0 HG3 LYS A 42 -3.538 5.241 24.250 1.00 35.42 H new ATOM 0 HD2 LYS A 42 -4.202 7.559 25.910 1.00 64.01 H new ATOM 0 HD3 LYS A 42 -5.648 6.698 25.420 1.00 64.01 H new ATOM 0 HE2 LYS A 42 -5.133 4.842 26.655 1.00 15.35 H new ATOM 0 HE3 LYS A 42 -3.422 4.940 26.290 1.00 15.35 H new ATOM 0 HZ1 LYS A 42 -3.845 5.356 28.625 1.00 25.32 H new ATOM 0 HZ2 LYS A 42 -3.211 6.751 27.893 1.00 25.32 H new ATOM 0 HZ3 LYS A 42 -4.869 6.656 28.247 1.00 25.32 H new ATOM 650 N ILE A 43 0.284 6.317 23.619 1.00 41.23 N ATOM 651 CA ILE A 43 1.247 5.325 23.157 1.00 33.44 C ATOM 652 C ILE A 43 2.119 4.830 24.306 1.00 22.10 C ATOM 653 O ILE A 43 2.685 5.624 25.057 1.00 45.43 O ATOM 654 CB ILE A 43 2.152 5.891 22.047 1.00 15.24 C ATOM 655 CG1 ILE A 43 1.310 6.322 20.844 1.00 5.31 C ATOM 656 CG2 ILE A 43 3.190 4.860 21.632 1.00 31.45 C ATOM 657 CD1 ILE A 43 1.899 7.490 20.083 1.00 74.31 C ATOM 0 H ILE A 43 0.418 7.249 23.228 1.00 41.23 H new ATOM 0 HA ILE A 43 0.672 4.491 22.754 1.00 33.44 H new ATOM 0 HB ILE A 43 2.674 6.766 22.434 1.00 15.24 H new ATOM 0 HG12 ILE A 43 1.199 5.476 20.166 1.00 5.31 H new ATOM 0 HG13 ILE A 43 0.310 6.589 21.187 1.00 5.31 H new ATOM 0 HG21 ILE A 43 3.822 5.275 20.847 1.00 31.45 H new ATOM 0 HG22 ILE A 43 3.806 4.597 22.492 1.00 31.45 H new ATOM 0 HG23 ILE A 43 2.687 3.967 21.259 1.00 31.45 H new ATOM 0 HD11 ILE A 43 1.250 7.742 19.244 1.00 74.31 H new ATOM 0 HD12 ILE A 43 1.985 8.351 20.746 1.00 74.31 H new ATOM 0 HD13 ILE A 43 2.887 7.220 19.710 1.00 74.31 H new ATOM 669 N VAL A 44 2.225 3.511 24.436 1.00 11.22 N ATOM 670 CA VAL A 44 3.031 2.909 25.491 1.00 2.34 C ATOM 671 C VAL A 44 4.140 2.041 24.908 1.00 21.10 C ATOM 672 O VAL A 44 4.014 1.514 23.803 1.00 4.24 O ATOM 673 CB VAL A 44 2.169 2.054 26.438 1.00 35.21 C ATOM 674 CG1 VAL A 44 2.530 0.582 26.307 1.00 43.21 C ATOM 675 CG2 VAL A 44 2.329 2.525 27.876 1.00 71.53 C ATOM 0 H VAL A 44 1.763 2.839 23.823 1.00 11.22 H new ATOM 0 HA VAL A 44 3.474 3.729 26.057 1.00 2.34 H new ATOM 0 HB VAL A 44 1.123 2.173 26.155 1.00 35.21 H new ATOM 0 HG11 VAL A 44 1.910 -0.006 26.984 1.00 43.21 H new ATOM 0 HG12 VAL A 44 2.358 0.255 25.281 1.00 43.21 H new ATOM 0 HG13 VAL A 44 3.580 0.441 26.562 1.00 43.21 H new ATOM 0 HG21 VAL A 44 1.713 1.909 28.531 1.00 71.53 H new ATOM 0 HG22 VAL A 44 3.374 2.438 28.173 1.00 71.53 H new ATOM 0 HG23 VAL A 44 2.015 3.566 27.955 1.00 71.53 H new ATOM 685 N GLY A 45 5.228 1.895 25.659 1.00 14.32 N ATOM 686 CA GLY A 45 6.344 1.089 25.200 1.00 13.33 C ATOM 687 C GLY A 45 7.367 0.842 26.291 1.00 61.43 C ATOM 688 O GLY A 45 8.110 1.746 26.673 1.00 14.14 O ATOM 0 H GLY A 45 5.356 2.321 26.577 1.00 14.32 H new ATOM 0 HA2 GLY A 45 5.971 0.133 24.832 1.00 13.33 H new ATOM 0 HA3 GLY A 45 6.827 1.587 24.359 1.00 13.33 H new ATOM 692 N LYS A 46 7.407 -0.387 26.795 1.00 74.23 N ATOM 693 CA LYS A 46 8.346 -0.753 27.848 1.00 11.33 C ATOM 694 C LYS A 46 8.930 -2.140 27.599 1.00 11.35 C ATOM 695 O LYS A 46 8.217 -3.065 27.209 1.00 53.42 O ATOM 696 CB LYS A 46 7.653 -0.717 29.212 1.00 2.45 C ATOM 697 CG LYS A 46 8.551 -1.140 30.362 1.00 2.30 C ATOM 698 CD LYS A 46 7.992 -2.351 31.090 1.00 41.31 C ATOM 699 CE LYS A 46 8.031 -3.594 30.215 1.00 71.03 C ATOM 700 NZ LYS A 46 7.507 -4.791 30.928 1.00 34.34 N ATOM 0 H LYS A 46 6.799 -1.147 26.490 1.00 74.23 H new ATOM 0 HA LYS A 46 9.161 -0.029 27.842 1.00 11.33 H new ATOM 0 HB2 LYS A 46 7.289 0.293 29.399 1.00 2.45 H new ATOM 0 HB3 LYS A 46 6.781 -1.370 29.184 1.00 2.45 H new ATOM 0 HG2 LYS A 46 9.546 -1.370 29.982 1.00 2.30 H new ATOM 0 HG3 LYS A 46 8.661 -0.312 31.062 1.00 2.30 H new ATOM 0 HD2 LYS A 46 8.566 -2.527 32.000 1.00 41.31 H new ATOM 0 HD3 LYS A 46 6.965 -2.151 31.395 1.00 41.31 H new ATOM 0 HE2 LYS A 46 7.443 -3.422 29.314 1.00 71.03 H new ATOM 0 HE3 LYS A 46 9.056 -3.781 29.896 1.00 71.03 H new ATOM 0 HZ1 LYS A 46 8.183 -5.576 30.832 1.00 34.34 H new ATOM 0 HZ2 LYS A 46 7.378 -4.566 31.935 1.00 34.34 H new ATOM 0 HZ3 LYS A 46 6.593 -5.068 30.516 1.00 34.34 H new ATOM 714 N THR A 47 10.232 -2.279 27.830 1.00 51.25 N ATOM 715 CA THR A 47 10.911 -3.553 27.631 1.00 44.43 C ATOM 716 C THR A 47 11.874 -3.847 28.776 1.00 74.12 C ATOM 717 O THR A 47 12.698 -3.008 29.138 1.00 74.44 O ATOM 718 CB THR A 47 11.691 -3.572 26.302 1.00 32.33 C ATOM 719 OG1 THR A 47 12.378 -4.820 26.156 1.00 73.13 O ATOM 720 CG2 THR A 47 12.691 -2.427 26.245 1.00 71.43 C ATOM 0 H THR A 47 10.837 -1.525 28.155 1.00 51.25 H new ATOM 0 HA THR A 47 10.139 -4.322 27.602 1.00 44.43 H new ATOM 0 HB THR A 47 10.979 -3.452 25.486 1.00 32.33 H new ATOM 0 HG1 THR A 47 12.870 -4.825 25.309 1.00 73.13 H new ATOM 0 HG21 THR A 47 13.230 -2.461 25.298 1.00 71.43 H new ATOM 0 HG22 THR A 47 12.162 -1.478 26.328 1.00 71.43 H new ATOM 0 HG23 THR A 47 13.399 -2.521 27.068 1.00 71.43 H new ATOM 728 N ASN A 48 11.764 -5.045 29.342 1.00 54.51 N ATOM 729 CA ASN A 48 12.625 -5.450 30.447 1.00 41.42 C ATOM 730 C ASN A 48 12.260 -6.848 30.937 1.00 45.25 C ATOM 731 O ASN A 48 11.164 -7.352 30.692 1.00 1.12 O ATOM 732 CB ASN A 48 12.516 -4.449 31.599 1.00 1.01 C ATOM 733 CG ASN A 48 11.123 -3.865 31.728 1.00 54.55 C ATOM 734 OD1 ASN A 48 10.852 -2.764 31.246 1.00 61.41 O ATOM 735 ND2 ASN A 48 10.230 -4.600 32.380 1.00 24.51 N ATOM 0 H ASN A 48 11.087 -5.752 29.054 1.00 54.51 H new ATOM 0 HA ASN A 48 13.653 -5.468 30.086 1.00 41.42 H new ATOM 0 HB2 ASN A 48 12.788 -4.942 32.532 1.00 1.01 H new ATOM 0 HB3 ASN A 48 13.232 -3.642 31.444 1.00 1.01 H new ATOM 0 HD21 ASN A 48 9.276 -4.258 32.498 1.00 24.51 H new ATOM 0 HD22 ASN A 48 10.498 -5.507 32.763 1.00 24.51 H new ATOM 742 N PRO A 49 13.201 -7.490 31.645 1.00 34.34 N ATOM 743 CA PRO A 49 13.001 -8.838 32.185 1.00 24.54 C ATOM 744 C PRO A 49 11.987 -8.863 33.324 1.00 41.03 C ATOM 745 O PRO A 49 11.529 -9.928 33.737 1.00 41.14 O ATOM 746 CB PRO A 49 14.391 -9.224 32.699 1.00 40.30 C ATOM 747 CG PRO A 49 15.061 -7.925 32.989 1.00 62.14 C ATOM 748 CD PRO A 49 14.530 -6.950 31.975 1.00 42.23 C ATOM 0 HA PRO A 49 12.603 -9.522 31.435 1.00 24.54 H new ATOM 0 HB2 PRO A 49 14.325 -9.844 33.593 1.00 40.30 H new ATOM 0 HB3 PRO A 49 14.944 -9.797 31.954 1.00 40.30 H new ATOM 0 HG2 PRO A 49 14.842 -7.591 34.003 1.00 62.14 H new ATOM 0 HG3 PRO A 49 16.144 -8.018 32.911 1.00 62.14 H new ATOM 0 HD2 PRO A 49 14.464 -5.942 32.384 1.00 42.23 H new ATOM 0 HD3 PRO A 49 15.171 -6.896 31.095 1.00 42.23 H new ATOM 756 N ALA A 50 11.640 -7.683 33.826 1.00 1.35 N ATOM 757 CA ALA A 50 10.678 -7.569 34.915 1.00 31.34 C ATOM 758 C ALA A 50 10.428 -6.109 35.278 1.00 62.25 C ATOM 759 O ALA A 50 9.282 -5.672 35.379 1.00 33.20 O ATOM 760 CB ALA A 50 11.165 -8.341 36.133 1.00 60.23 C ATOM 0 H ALA A 50 12.011 -6.792 33.496 1.00 1.35 H new ATOM 0 HA ALA A 50 9.735 -7.999 34.578 1.00 31.34 H new ATOM 0 HB1 ALA A 50 10.437 -8.247 36.938 1.00 60.23 H new ATOM 0 HB2 ALA A 50 11.285 -9.393 35.873 1.00 60.23 H new ATOM 0 HB3 ALA A 50 12.123 -7.937 36.461 1.00 60.23 H new ATOM 766 N ASP A 51 11.508 -5.360 35.472 1.00 53.11 N ATOM 767 CA ASP A 51 11.406 -3.948 35.823 1.00 75.13 C ATOM 768 C ASP A 51 12.788 -3.339 36.032 1.00 43.45 C ATOM 769 O ASP A 51 12.996 -2.543 36.949 1.00 72.03 O ATOM 770 CB ASP A 51 10.562 -3.774 37.087 1.00 72.55 C ATOM 771 CG ASP A 51 9.540 -2.662 36.952 1.00 24.24 C ATOM 772 OD1 ASP A 51 9.927 -1.547 36.545 1.00 44.32 O ATOM 773 OD2 ASP A 51 8.354 -2.907 37.254 1.00 31.33 O ATOM 0 H ASP A 51 12.464 -5.707 35.392 1.00 53.11 H new ATOM 0 HA ASP A 51 10.921 -3.428 34.997 1.00 75.13 H new ATOM 0 HB2 ASP A 51 10.049 -4.710 37.310 1.00 72.55 H new ATOM 0 HB3 ASP A 51 11.217 -3.561 37.932 1.00 72.55 H new ATOM 778 N LEU A 52 13.731 -3.717 35.176 1.00 24.42 N ATOM 779 CA LEU A 52 15.096 -3.209 35.267 1.00 32.11 C ATOM 780 C LEU A 52 15.282 -1.987 34.373 1.00 64.51 C ATOM 781 O LEU A 52 15.943 -1.020 34.754 1.00 22.55 O ATOM 782 CB LEU A 52 16.094 -4.299 34.875 1.00 25.42 C ATOM 783 CG LEU A 52 16.224 -5.472 35.848 1.00 0.01 C ATOM 784 CD1 LEU A 52 17.275 -6.457 35.360 1.00 3.33 C ATOM 785 CD2 LEU A 52 16.566 -4.972 37.244 1.00 43.41 C ATOM 0 H LEU A 52 13.576 -4.373 34.411 1.00 24.42 H new ATOM 0 HA LEU A 52 15.279 -2.912 36.300 1.00 32.11 H new ATOM 0 HB2 LEU A 52 15.807 -4.692 33.900 1.00 25.42 H new ATOM 0 HB3 LEU A 52 17.076 -3.840 34.758 1.00 25.42 H new ATOM 0 HG LEU A 52 15.265 -5.989 35.894 1.00 0.01 H new ATOM 0 HD11 LEU A 52 17.353 -7.285 36.065 1.00 3.33 H new ATOM 0 HD12 LEU A 52 16.988 -6.840 34.381 1.00 3.33 H new ATOM 0 HD13 LEU A 52 18.238 -5.953 35.284 1.00 3.33 H new ATOM 0 HD21 LEU A 52 16.655 -5.820 37.923 1.00 43.41 H new ATOM 0 HD22 LEU A 52 17.511 -4.430 37.215 1.00 43.41 H new ATOM 0 HD23 LEU A 52 15.777 -4.307 37.596 1.00 43.41 H new ATOM 797 N LEU A 53 14.695 -2.037 33.183 1.00 53.14 N ATOM 798 CA LEU A 53 14.794 -0.933 32.234 1.00 71.11 C ATOM 799 C LEU A 53 14.441 0.392 32.902 1.00 43.23 C ATOM 800 O LEU A 53 13.578 0.448 33.776 1.00 13.01 O ATOM 801 CB LEU A 53 13.870 -1.177 31.039 1.00 3.12 C ATOM 802 CG LEU A 53 13.756 -0.030 30.034 1.00 22.30 C ATOM 803 CD1 LEU A 53 14.408 -0.411 28.714 1.00 42.21 C ATOM 804 CD2 LEU A 53 12.298 0.349 29.821 1.00 10.10 C ATOM 0 H LEU A 53 14.145 -2.830 32.852 1.00 53.14 H new ATOM 0 HA LEU A 53 15.825 -0.879 31.883 1.00 71.11 H new ATOM 0 HB2 LEU A 53 14.219 -2.064 30.510 1.00 3.12 H new ATOM 0 HB3 LEU A 53 12.873 -1.403 31.416 1.00 3.12 H new ATOM 0 HG LEU A 53 14.280 0.836 30.438 1.00 22.30 H new ATOM 0 HD11 LEU A 53 14.317 0.417 28.011 1.00 42.21 H new ATOM 0 HD12 LEU A 53 15.462 -0.633 28.880 1.00 42.21 H new ATOM 0 HD13 LEU A 53 13.912 -1.291 28.304 1.00 42.21 H new ATOM 0 HD21 LEU A 53 12.236 1.167 29.103 1.00 10.10 H new ATOM 0 HD22 LEU A 53 11.750 -0.512 29.438 1.00 10.10 H new ATOM 0 HD23 LEU A 53 11.862 0.665 30.769 1.00 10.10 H new ATOM 816 N GLY A 54 15.115 1.459 32.481 1.00 30.23 N ATOM 817 CA GLY A 54 14.857 2.770 33.048 1.00 62.31 C ATOM 818 C GLY A 54 13.482 3.297 32.688 1.00 64.14 C ATOM 819 O GLY A 54 12.480 2.883 33.270 1.00 65.10 O ATOM 0 H GLY A 54 15.834 1.439 31.758 1.00 30.23 H new ATOM 0 HA2 GLY A 54 14.950 2.718 34.133 1.00 62.31 H new ATOM 0 HA3 GLY A 54 15.615 3.470 32.696 1.00 62.31 H new ATOM 823 N GLN A 55 13.435 4.214 31.726 1.00 20.44 N ATOM 824 CA GLN A 55 12.173 4.799 31.292 1.00 55.43 C ATOM 825 C GLN A 55 12.136 4.949 29.774 1.00 13.35 C ATOM 826 O GLN A 55 13.169 5.005 29.107 1.00 55.44 O ATOM 827 CB GLN A 55 11.962 6.161 31.956 1.00 45.31 C ATOM 828 CG GLN A 55 13.216 7.021 31.991 1.00 73.13 C ATOM 829 CD GLN A 55 12.923 8.466 32.345 1.00 71.51 C ATOM 830 OE1 GLN A 55 12.439 8.763 33.437 1.00 13.12 O ATOM 831 NE2 GLN A 55 13.216 9.373 31.421 1.00 52.02 N ATOM 0 H GLN A 55 14.256 4.567 31.234 1.00 20.44 H new ATOM 0 HA GLN A 55 11.368 4.128 31.593 1.00 55.43 H new ATOM 0 HB2 GLN A 55 11.178 6.698 31.423 1.00 45.31 H new ATOM 0 HB3 GLN A 55 11.608 6.008 32.975 1.00 45.31 H new ATOM 0 HG2 GLN A 55 13.915 6.608 32.718 1.00 73.13 H new ATOM 0 HG3 GLN A 55 13.706 6.981 31.018 1.00 73.13 H new ATOM 0 HE21 GLN A 55 13.616 9.082 30.529 1.00 52.02 H new ATOM 0 HE22 GLN A 55 13.041 10.361 31.603 1.00 52.02 H new ATOM 840 N PRO A 56 10.918 5.015 29.215 1.00 4.42 N ATOM 841 CA PRO A 56 10.718 5.160 27.770 1.00 32.23 C ATOM 842 C PRO A 56 11.134 6.536 27.262 1.00 14.11 C ATOM 843 O PRO A 56 11.077 7.522 27.996 1.00 2.53 O ATOM 844 CB PRO A 56 9.210 4.960 27.600 1.00 72.12 C ATOM 845 CG PRO A 56 8.626 5.345 28.915 1.00 34.41 C ATOM 846 CD PRO A 56 9.644 4.955 29.950 1.00 30.35 C ATOM 0 HA PRO A 56 11.323 4.453 27.201 1.00 32.23 H new ATOM 0 HB2 PRO A 56 8.817 5.581 26.795 1.00 72.12 H new ATOM 0 HB3 PRO A 56 8.974 3.926 27.349 1.00 72.12 H new ATOM 0 HG2 PRO A 56 8.421 6.415 28.953 1.00 34.41 H new ATOM 0 HG3 PRO A 56 7.679 4.833 29.086 1.00 34.41 H new ATOM 0 HD2 PRO A 56 9.637 5.639 30.798 1.00 30.35 H new ATOM 0 HD3 PRO A 56 9.454 3.957 30.344 1.00 30.35 H new ATOM 854 N SER A 57 11.551 6.595 26.001 1.00 15.23 N ATOM 855 CA SER A 57 11.979 7.851 25.396 1.00 21.30 C ATOM 856 C SER A 57 11.355 8.029 24.015 1.00 11.14 C ATOM 857 O SER A 57 11.990 7.762 22.995 1.00 31.40 O ATOM 858 CB SER A 57 13.505 7.895 25.288 1.00 35.21 C ATOM 859 OG SER A 57 13.919 8.811 24.289 1.00 31.15 O ATOM 0 H SER A 57 11.602 5.788 25.379 1.00 15.23 H new ATOM 0 HA SER A 57 11.643 8.667 26.035 1.00 21.30 H new ATOM 0 HB2 SER A 57 13.933 8.182 26.249 1.00 35.21 H new ATOM 0 HB3 SER A 57 13.885 6.901 25.054 1.00 35.21 H new ATOM 0 HG SER A 57 13.597 8.509 23.414 1.00 31.15 H new ATOM 865 N PHE A 58 10.106 8.483 23.992 1.00 62.03 N ATOM 866 CA PHE A 58 9.394 8.697 22.737 1.00 30.33 C ATOM 867 C PHE A 58 9.756 10.049 22.130 1.00 14.11 C ATOM 868 O PHE A 58 9.690 11.080 22.800 1.00 62.31 O ATOM 869 CB PHE A 58 7.883 8.614 22.964 1.00 50.24 C ATOM 870 CG PHE A 58 7.399 9.470 24.099 1.00 43.20 C ATOM 871 CD1 PHE A 58 7.055 10.796 23.887 1.00 24.52 C ATOM 872 CD2 PHE A 58 7.289 8.950 25.378 1.00 21.44 C ATOM 873 CE1 PHE A 58 6.610 11.586 24.930 1.00 55.02 C ATOM 874 CE2 PHE A 58 6.844 9.735 26.425 1.00 54.04 C ATOM 875 CZ PHE A 58 6.505 11.055 26.200 1.00 15.14 C ATOM 0 H PHE A 58 9.566 8.710 24.827 1.00 62.03 H new ATOM 0 HA PHE A 58 9.693 7.915 22.040 1.00 30.33 H new ATOM 0 HB2 PHE A 58 7.370 8.912 22.050 1.00 50.24 H new ATOM 0 HB3 PHE A 58 7.610 7.577 23.159 1.00 50.24 H new ATOM 0 HD1 PHE A 58 7.136 11.217 22.896 1.00 24.52 H new ATOM 0 HD2 PHE A 58 7.554 7.919 25.559 1.00 21.44 H new ATOM 0 HE1 PHE A 58 6.345 12.618 24.752 1.00 55.02 H new ATOM 0 HE2 PHE A 58 6.761 9.317 27.417 1.00 54.04 H new ATOM 0 HZ PHE A 58 6.158 11.671 27.017 1.00 15.14 H new ATOM 885 N SER A 59 10.138 10.036 20.857 1.00 11.31 N ATOM 886 CA SER A 59 10.514 11.260 20.160 1.00 43.42 C ATOM 887 C SER A 59 9.440 12.331 20.323 1.00 12.00 C ATOM 888 O SER A 59 8.247 12.029 20.364 1.00 12.41 O ATOM 889 CB SER A 59 10.745 10.976 18.674 1.00 22.24 C ATOM 890 OG SER A 59 11.990 10.332 18.466 1.00 21.41 O ATOM 0 H SER A 59 10.195 9.192 20.288 1.00 11.31 H new ATOM 0 HA SER A 59 11.440 11.629 20.601 1.00 43.42 H new ATOM 0 HB2 SER A 59 9.939 10.350 18.291 1.00 22.24 H new ATOM 0 HB3 SER A 59 10.717 11.910 18.113 1.00 22.24 H new ATOM 0 HG SER A 59 12.113 10.160 17.509 1.00 21.41 H new ATOM 896 N LYS A 60 9.872 13.584 20.416 1.00 55.21 N ATOM 897 CA LYS A 60 8.949 14.702 20.574 1.00 51.25 C ATOM 898 C LYS A 60 8.142 14.925 19.299 1.00 53.33 C ATOM 899 O LYS A 60 8.704 15.111 18.221 1.00 45.43 O ATOM 900 CB LYS A 60 9.716 15.976 20.934 1.00 41.43 C ATOM 901 CG LYS A 60 9.374 16.524 22.309 1.00 64.04 C ATOM 902 CD LYS A 60 8.020 17.213 22.314 1.00 70.32 C ATOM 903 CE LYS A 60 7.279 16.976 23.621 1.00 4.31 C ATOM 904 NZ LYS A 60 7.411 18.133 24.550 1.00 23.53 N ATOM 0 H LYS A 60 10.856 13.851 20.385 1.00 55.21 H new ATOM 0 HA LYS A 60 8.259 14.460 21.382 1.00 51.25 H new ATOM 0 HB2 LYS A 60 10.786 15.771 20.890 1.00 41.43 H new ATOM 0 HB3 LYS A 60 9.507 16.740 20.185 1.00 41.43 H new ATOM 0 HG2 LYS A 60 9.372 15.711 23.035 1.00 64.04 H new ATOM 0 HG3 LYS A 60 10.143 17.230 22.622 1.00 64.04 H new ATOM 0 HD2 LYS A 60 8.155 18.284 22.160 1.00 70.32 H new ATOM 0 HD3 LYS A 60 7.420 16.844 21.482 1.00 70.32 H new ATOM 0 HE2 LYS A 60 6.224 16.795 23.413 1.00 4.31 H new ATOM 0 HE3 LYS A 60 7.668 16.078 24.101 1.00 4.31 H new ATOM 0 HZ1 LYS A 60 6.893 17.933 25.429 1.00 23.53 H new ATOM 0 HZ2 LYS A 60 8.416 18.290 24.769 1.00 23.53 H new ATOM 0 HZ3 LYS A 60 7.017 18.985 24.102 1.00 23.53 H new ATOM 918 N GLY A 61 6.819 14.907 19.430 1.00 34.32 N ATOM 919 CA GLY A 61 5.956 15.110 18.281 1.00 70.30 C ATOM 920 C GLY A 61 5.334 16.492 18.260 1.00 60.22 C ATOM 921 O GLY A 61 5.962 17.468 18.669 1.00 61.25 O ATOM 0 H GLY A 61 6.329 14.755 20.312 1.00 34.32 H new ATOM 0 HA2 GLY A 61 6.531 14.960 17.367 1.00 70.30 H new ATOM 0 HA3 GLY A 61 5.166 14.359 18.287 1.00 70.30 H new ATOM 925 N GLU A 62 4.097 16.575 17.780 1.00 11.24 N ATOM 926 CA GLU A 62 3.392 17.849 17.705 1.00 13.34 C ATOM 927 C GLU A 62 2.289 17.924 18.758 1.00 63.20 C ATOM 928 O GLU A 62 1.465 17.017 18.873 1.00 43.21 O ATOM 929 CB GLU A 62 2.794 18.046 16.311 1.00 62.45 C ATOM 930 CG GLU A 62 3.739 18.725 15.334 1.00 62.13 C ATOM 931 CD GLU A 62 3.126 19.951 14.686 1.00 50.12 C ATOM 932 OE1 GLU A 62 2.234 19.786 13.828 1.00 13.11 O ATOM 933 OE2 GLU A 62 3.539 21.076 15.037 1.00 11.24 O ATOM 0 H GLU A 62 3.563 15.776 17.438 1.00 11.24 H new ATOM 0 HA GLU A 62 4.112 18.644 17.900 1.00 13.34 H new ATOM 0 HB2 GLU A 62 2.505 17.075 15.908 1.00 62.45 H new ATOM 0 HB3 GLU A 62 1.884 18.640 16.396 1.00 62.45 H new ATOM 0 HG2 GLU A 62 4.651 19.013 15.857 1.00 62.13 H new ATOM 0 HG3 GLU A 62 4.027 18.014 14.559 1.00 62.13 H new ATOM 940 N GLU A 63 2.283 19.011 19.524 1.00 74.54 N ATOM 941 CA GLU A 63 1.283 19.202 20.568 1.00 52.44 C ATOM 942 C GLU A 63 -0.036 19.691 19.975 1.00 61.21 C ATOM 943 O GLU A 63 -0.082 20.713 19.290 1.00 4.25 O ATOM 944 CB GLU A 63 1.787 20.202 21.610 1.00 3.32 C ATOM 945 CG GLU A 63 1.601 19.733 23.043 1.00 12.44 C ATOM 946 CD GLU A 63 2.046 20.768 24.058 1.00 4.04 C ATOM 947 OE1 GLU A 63 3.032 21.483 23.782 1.00 44.00 O ATOM 948 OE2 GLU A 63 1.410 20.863 25.129 1.00 70.35 O ATOM 0 H GLU A 63 2.958 19.771 19.441 1.00 74.54 H new ATOM 0 HA GLU A 63 1.110 18.240 21.051 1.00 52.44 H new ATOM 0 HB2 GLU A 63 2.845 20.395 21.434 1.00 3.32 H new ATOM 0 HB3 GLU A 63 1.264 21.149 21.476 1.00 3.32 H new ATOM 0 HG2 GLU A 63 0.551 19.494 23.210 1.00 12.44 H new ATOM 0 HG3 GLU A 63 2.165 18.813 23.196 1.00 12.44 H new ATOM 955 N LYS A 64 -1.107 18.952 20.242 1.00 14.03 N ATOM 956 CA LYS A 64 -2.428 19.308 19.737 1.00 31.13 C ATOM 957 C LYS A 64 -3.464 19.283 20.857 1.00 44.00 C ATOM 958 O LYS A 64 -3.354 18.497 21.798 1.00 54.25 O ATOM 959 CB LYS A 64 -2.845 18.348 18.621 1.00 55.12 C ATOM 960 CG LYS A 64 -4.185 18.692 17.992 1.00 20.45 C ATOM 961 CD LYS A 64 -5.291 17.786 18.508 1.00 51.14 C ATOM 962 CE LYS A 64 -5.798 16.851 17.420 1.00 10.40 C ATOM 963 NZ LYS A 64 -6.598 17.576 16.394 1.00 13.14 N ATOM 0 H LYS A 64 -1.086 18.102 20.806 1.00 14.03 H new ATOM 0 HA LYS A 64 -2.376 20.321 19.337 1.00 31.13 H new ATOM 0 HB2 LYS A 64 -2.078 18.350 17.846 1.00 55.12 H new ATOM 0 HB3 LYS A 64 -2.891 17.336 19.022 1.00 55.12 H new ATOM 0 HG2 LYS A 64 -4.434 19.731 18.208 1.00 20.45 H new ATOM 0 HG3 LYS A 64 -4.114 18.600 16.908 1.00 20.45 H new ATOM 0 HD2 LYS A 64 -4.920 17.200 19.349 1.00 51.14 H new ATOM 0 HD3 LYS A 64 -6.116 18.393 18.881 1.00 51.14 H new ATOM 0 HE2 LYS A 64 -4.952 16.360 16.940 1.00 10.40 H new ATOM 0 HE3 LYS A 64 -6.408 16.068 17.870 1.00 10.40 H new ATOM 0 HZ1 LYS A 64 -6.681 16.989 15.540 1.00 13.14 H new ATOM 0 HZ2 LYS A 64 -7.547 17.775 16.771 1.00 13.14 H new ATOM 0 HZ3 LYS A 64 -6.126 18.471 16.154 1.00 13.14 H new ATOM 977 N GLU A 65 -4.468 20.147 20.748 1.00 40.14 N ATOM 978 CA GLU A 65 -5.523 20.222 21.751 1.00 2.45 C ATOM 979 C GLU A 65 -6.860 19.773 21.170 1.00 13.30 C ATOM 980 O GLU A 65 -7.286 20.255 20.120 1.00 13.54 O ATOM 981 CB GLU A 65 -5.642 21.649 22.292 1.00 74.12 C ATOM 982 CG GLU A 65 -6.092 21.715 23.742 1.00 74.14 C ATOM 983 CD GLU A 65 -7.449 22.372 23.902 1.00 53.40 C ATOM 984 OE1 GLU A 65 -8.469 21.657 23.819 1.00 54.11 O ATOM 985 OE2 GLU A 65 -7.491 23.603 24.111 1.00 45.11 O ATOM 0 H GLU A 65 -4.573 20.805 19.975 1.00 40.14 H new ATOM 0 HA GLU A 65 -5.260 19.552 22.569 1.00 2.45 H new ATOM 0 HB2 GLU A 65 -4.677 22.146 22.197 1.00 74.12 H new ATOM 0 HB3 GLU A 65 -6.349 22.205 21.675 1.00 74.12 H new ATOM 0 HG2 GLU A 65 -6.130 20.706 24.153 1.00 74.14 H new ATOM 0 HG3 GLU A 65 -5.354 22.268 24.323 1.00 74.14 H new ATOM 992 N ASP A 66 -7.517 18.847 21.859 1.00 30.14 N ATOM 993 CA ASP A 66 -8.806 18.332 21.413 1.00 53.21 C ATOM 994 C ASP A 66 -9.638 17.849 22.597 1.00 71.02 C ATOM 995 O ASP A 66 -9.308 18.120 23.751 1.00 41.13 O ATOM 996 CB ASP A 66 -8.606 17.191 20.415 1.00 62.32 C ATOM 997 CG ASP A 66 -9.583 17.255 19.258 1.00 52.03 C ATOM 998 OD1 ASP A 66 -10.709 16.733 19.402 1.00 41.33 O ATOM 999 OD2 ASP A 66 -9.223 17.828 18.208 1.00 22.24 O ATOM 0 H ASP A 66 -7.178 18.437 22.729 1.00 30.14 H new ATOM 0 HA ASP A 66 -9.343 19.144 20.922 1.00 53.21 H new ATOM 0 HB2 ASP A 66 -7.587 17.225 20.029 1.00 62.32 H new ATOM 0 HB3 ASP A 66 -8.720 16.237 20.930 1.00 62.32 H new ATOM 1004 N GLU A 67 -10.719 17.133 22.302 1.00 43.14 N ATOM 1005 CA GLU A 67 -11.598 16.614 23.342 1.00 13.35 C ATOM 1006 C GLU A 67 -11.463 15.099 23.464 1.00 53.14 C ATOM 1007 O GLU A 67 -12.026 14.485 24.370 1.00 1.14 O ATOM 1008 CB GLU A 67 -13.052 16.986 23.044 1.00 34.51 C ATOM 1009 CG GLU A 67 -13.507 16.593 21.648 1.00 22.24 C ATOM 1010 CD GLU A 67 -14.915 17.063 21.340 1.00 71.45 C ATOM 1011 OE1 GLU A 67 -15.676 17.325 22.294 1.00 52.31 O ATOM 1012 OE2 GLU A 67 -15.256 17.168 20.142 1.00 24.45 O ATOM 0 H GLU A 67 -11.006 16.900 21.352 1.00 43.14 H new ATOM 0 HA GLU A 67 -11.302 17.064 24.290 1.00 13.35 H new ATOM 0 HB2 GLU A 67 -13.699 16.504 23.777 1.00 34.51 H new ATOM 0 HB3 GLU A 67 -13.176 18.062 23.168 1.00 34.51 H new ATOM 0 HG2 GLU A 67 -12.819 17.013 20.914 1.00 22.24 H new ATOM 0 HG3 GLU A 67 -13.459 15.509 21.546 1.00 22.24 H new ATOM 1019 N PHE A 68 -10.714 14.502 22.543 1.00 42.33 N ATOM 1020 CA PHE A 68 -10.505 13.059 22.544 1.00 15.05 C ATOM 1021 C PHE A 68 -9.341 12.679 23.455 1.00 75.42 C ATOM 1022 O PHE A 68 -9.007 11.502 23.595 1.00 50.01 O ATOM 1023 CB PHE A 68 -10.240 12.559 21.123 1.00 74.01 C ATOM 1024 CG PHE A 68 -11.484 12.434 20.290 1.00 61.12 C ATOM 1025 CD1 PHE A 68 -12.320 13.523 20.102 1.00 33.51 C ATOM 1026 CD2 PHE A 68 -11.816 11.228 19.694 1.00 32.00 C ATOM 1027 CE1 PHE A 68 -13.465 13.410 19.337 1.00 75.24 C ATOM 1028 CE2 PHE A 68 -12.960 11.109 18.927 1.00 1.30 C ATOM 1029 CZ PHE A 68 -13.785 12.202 18.747 1.00 11.14 C ATOM 0 H PHE A 68 -10.241 14.996 21.786 1.00 42.33 H new ATOM 0 HA PHE A 68 -11.411 12.586 22.924 1.00 15.05 H new ATOM 0 HB2 PHE A 68 -9.549 13.242 20.629 1.00 74.01 H new ATOM 0 HB3 PHE A 68 -9.747 11.588 21.174 1.00 74.01 H new ATOM 0 HD1 PHE A 68 -12.074 14.470 20.558 1.00 33.51 H new ATOM 0 HD2 PHE A 68 -11.173 10.371 19.830 1.00 32.00 H new ATOM 0 HE1 PHE A 68 -14.110 14.266 19.200 1.00 75.24 H new ATOM 0 HE2 PHE A 68 -13.208 10.163 18.469 1.00 1.30 H new ATOM 0 HZ PHE A 68 -14.678 12.113 18.146 1.00 11.14 H new ATOM 1039 N PHE A 69 -8.728 13.683 24.071 1.00 5.23 N ATOM 1040 CA PHE A 69 -7.600 13.455 24.967 1.00 3.52 C ATOM 1041 C PHE A 69 -7.164 14.757 25.634 1.00 25.21 C ATOM 1042 O PHE A 69 -6.704 14.759 26.775 1.00 22.32 O ATOM 1043 CB PHE A 69 -6.426 12.845 24.199 1.00 70.51 C ATOM 1044 CG PHE A 69 -5.719 13.824 23.307 1.00 43.14 C ATOM 1045 CD1 PHE A 69 -6.406 14.488 22.303 1.00 65.12 C ATOM 1046 CD2 PHE A 69 -4.367 14.081 23.472 1.00 54.51 C ATOM 1047 CE1 PHE A 69 -5.757 15.389 21.480 1.00 42.10 C ATOM 1048 CE2 PHE A 69 -3.713 14.982 22.652 1.00 14.03 C ATOM 1049 CZ PHE A 69 -4.409 15.637 21.656 1.00 55.44 C ATOM 0 H PHE A 69 -8.993 14.663 23.967 1.00 5.23 H new ATOM 0 HA PHE A 69 -7.919 12.758 25.742 1.00 3.52 H new ATOM 0 HB2 PHE A 69 -5.711 12.433 24.911 1.00 70.51 H new ATOM 0 HB3 PHE A 69 -6.790 12.013 23.596 1.00 70.51 H new ATOM 0 HD1 PHE A 69 -7.460 14.299 22.162 1.00 65.12 H new ATOM 0 HD2 PHE A 69 -3.818 13.572 24.250 1.00 54.51 H new ATOM 0 HE1 PHE A 69 -6.303 15.899 20.700 1.00 42.10 H new ATOM 0 HE2 PHE A 69 -2.659 15.173 22.791 1.00 14.03 H new ATOM 0 HZ PHE A 69 -3.901 16.342 21.015 1.00 55.44 H new ATOM 1059 N GLY A 70 -7.311 15.863 24.912 1.00 50.52 N ATOM 1060 CA GLY A 70 -6.927 17.156 25.448 1.00 14.15 C ATOM 1061 C GLY A 70 -5.711 17.735 24.753 1.00 73.11 C ATOM 1062 O GLY A 70 -5.550 17.584 23.542 1.00 72.12 O ATOM 0 H GLY A 70 -7.689 15.887 23.965 1.00 50.52 H new ATOM 0 HA2 GLY A 70 -7.762 17.849 25.349 1.00 14.15 H new ATOM 0 HA3 GLY A 70 -6.720 17.057 26.513 1.00 14.15 H new ATOM 1066 N ARG A 71 -4.854 18.401 25.520 1.00 71.23 N ATOM 1067 CA ARG A 71 -3.648 19.007 24.969 1.00 22.20 C ATOM 1068 C ARG A 71 -2.425 18.140 25.254 1.00 20.12 C ATOM 1069 O ARG A 71 -1.892 18.149 26.363 1.00 20.54 O ATOM 1070 CB ARG A 71 -3.442 20.406 25.553 1.00 30.31 C ATOM 1071 CG ARG A 71 -4.139 20.617 26.887 1.00 10.31 C ATOM 1072 CD ARG A 71 -3.492 19.795 27.990 1.00 3.25 C ATOM 1073 NE ARG A 71 -3.949 20.202 29.316 1.00 1.34 N ATOM 1074 CZ ARG A 71 -5.095 19.800 29.854 1.00 52.41 C ATOM 1075 NH1 ARG A 71 -5.896 18.985 29.182 1.00 31.55 N ATOM 1076 NH2 ARG A 71 -5.442 20.214 31.066 1.00 52.30 N ATOM 0 H ARG A 71 -4.972 18.535 26.524 1.00 71.23 H new ATOM 0 HA ARG A 71 -3.772 19.086 23.889 1.00 22.20 H new ATOM 0 HB2 ARG A 71 -2.374 20.585 25.678 1.00 30.31 H new ATOM 0 HB3 ARG A 71 -3.808 21.146 24.841 1.00 30.31 H new ATOM 0 HG2 ARG A 71 -4.106 21.674 27.153 1.00 10.31 H new ATOM 0 HG3 ARG A 71 -5.190 20.343 26.797 1.00 10.31 H new ATOM 0 HD2 ARG A 71 -3.719 18.740 27.836 1.00 3.25 H new ATOM 0 HD3 ARG A 71 -2.409 19.900 27.932 1.00 3.25 H new ATOM 0 HE ARG A 71 -3.356 20.829 29.859 1.00 1.34 H new ATOM 0 HH11 ARG A 71 -5.633 18.665 28.250 1.00 31.55 H new ATOM 0 HH12 ARG A 71 -6.776 18.678 29.597 1.00 31.55 H new ATOM 0 HH21 ARG A 71 -4.828 20.842 31.586 1.00 52.30 H new ATOM 0 HH22 ARG A 71 -6.322 19.905 31.478 1.00 52.30 H new ATOM 1090 N GLN A 72 -1.987 17.393 24.246 1.00 53.03 N ATOM 1091 CA GLN A 72 -0.828 16.520 24.389 1.00 34.12 C ATOM 1092 C GLN A 72 -0.114 16.339 23.054 1.00 51.42 C ATOM 1093 O GLN A 72 -0.622 16.741 22.006 1.00 30.50 O ATOM 1094 CB GLN A 72 -1.254 15.158 24.941 1.00 14.42 C ATOM 1095 CG GLN A 72 -0.887 14.952 26.402 1.00 41.12 C ATOM 1096 CD GLN A 72 0.607 15.041 26.646 1.00 34.10 C ATOM 1097 OE1 GLN A 72 1.402 14.436 25.926 1.00 1.42 O ATOM 1098 NE2 GLN A 72 0.996 15.797 27.666 1.00 41.45 N ATOM 0 H GLN A 72 -2.417 17.375 23.321 1.00 53.03 H new ATOM 0 HA GLN A 72 -0.137 16.989 25.089 1.00 34.12 H new ATOM 0 HB2 GLN A 72 -2.333 15.050 24.827 1.00 14.42 H new ATOM 0 HB3 GLN A 72 -0.791 14.372 24.344 1.00 14.42 H new ATOM 0 HG2 GLN A 72 -1.396 15.700 27.010 1.00 41.12 H new ATOM 0 HG3 GLN A 72 -1.247 13.977 26.729 1.00 41.12 H new ATOM 0 HE21 GLN A 72 0.302 16.280 28.236 1.00 41.45 H new ATOM 0 HE22 GLN A 72 1.989 15.894 27.879 1.00 41.45 H new ATOM 1107 N THR A 73 1.068 15.733 23.098 1.00 44.32 N ATOM 1108 CA THR A 73 1.854 15.501 21.892 1.00 14.12 C ATOM 1109 C THR A 73 1.341 14.286 21.128 1.00 51.14 C ATOM 1110 O THR A 73 0.984 13.270 21.724 1.00 62.20 O ATOM 1111 CB THR A 73 3.344 15.294 22.223 1.00 34.13 C ATOM 1112 OG1 THR A 73 3.681 15.998 23.423 1.00 2.15 O ATOM 1113 CG2 THR A 73 4.224 15.777 21.081 1.00 41.11 C ATOM 0 H THR A 73 1.503 15.394 23.956 1.00 44.32 H new ATOM 0 HA THR A 73 1.748 16.390 21.270 1.00 14.12 H new ATOM 0 HB THR A 73 3.517 14.228 22.367 1.00 34.13 H new ATOM 0 HG1 THR A 73 4.405 15.527 23.887 1.00 2.15 H new ATOM 0 HG21 THR A 73 5.272 15.621 21.338 1.00 41.11 H new ATOM 0 HG22 THR A 73 3.985 15.218 20.176 1.00 41.11 H new ATOM 0 HG23 THR A 73 4.047 16.839 20.909 1.00 41.11 H new ATOM 1121 N VAL A 74 1.307 14.397 19.803 1.00 31.14 N ATOM 1122 CA VAL A 74 0.839 13.306 18.957 1.00 63.04 C ATOM 1123 C VAL A 74 1.637 13.237 17.659 1.00 33.32 C ATOM 1124 O VAL A 74 2.342 14.180 17.301 1.00 62.03 O ATOM 1125 CB VAL A 74 -0.656 13.458 18.620 1.00 40.32 C ATOM 1126 CG1 VAL A 74 -1.460 13.752 19.877 1.00 24.35 C ATOM 1127 CG2 VAL A 74 -0.859 14.550 17.581 1.00 40.54 C ATOM 0 H VAL A 74 1.598 15.231 19.293 1.00 31.14 H new ATOM 0 HA VAL A 74 0.984 12.384 19.520 1.00 63.04 H new ATOM 0 HB VAL A 74 -1.013 12.517 18.201 1.00 40.32 H new ATOM 0 HG11 VAL A 74 -2.514 13.856 19.619 1.00 24.35 H new ATOM 0 HG12 VAL A 74 -1.339 12.933 20.586 1.00 24.35 H new ATOM 0 HG13 VAL A 74 -1.104 14.678 20.328 1.00 24.35 H new ATOM 0 HG21 VAL A 74 -1.921 14.644 17.355 1.00 40.54 H new ATOM 0 HG22 VAL A 74 -0.486 15.497 17.971 1.00 40.54 H new ATOM 0 HG23 VAL A 74 -0.316 14.293 16.672 1.00 40.54 H new ATOM 1137 N TYR A 75 1.520 12.114 16.959 1.00 53.12 N ATOM 1138 CA TYR A 75 2.231 11.920 15.701 1.00 5.31 C ATOM 1139 C TYR A 75 1.255 11.679 14.554 1.00 31.20 C ATOM 1140 O TYR A 75 0.077 11.397 14.775 1.00 33.20 O ATOM 1141 CB TYR A 75 3.202 10.743 15.816 1.00 14.30 C ATOM 1142 CG TYR A 75 4.565 11.132 16.342 1.00 70.50 C ATOM 1143 CD1 TYR A 75 5.217 12.264 15.869 1.00 61.43 C ATOM 1144 CD2 TYR A 75 5.202 10.366 17.311 1.00 15.11 C ATOM 1145 CE1 TYR A 75 6.463 12.622 16.346 1.00 62.14 C ATOM 1146 CE2 TYR A 75 6.447 10.718 17.795 1.00 73.31 C ATOM 1147 CZ TYR A 75 7.074 11.846 17.309 1.00 54.10 C ATOM 1148 OH TYR A 75 8.315 12.199 17.787 1.00 33.13 O ATOM 0 H TYR A 75 0.940 11.324 17.242 1.00 53.12 H new ATOM 0 HA TYR A 75 2.795 12.828 15.488 1.00 5.31 H new ATOM 0 HB2 TYR A 75 2.770 9.989 16.474 1.00 14.30 H new ATOM 0 HB3 TYR A 75 3.318 10.282 14.835 1.00 14.30 H new ATOM 0 HD1 TYR A 75 4.742 12.874 15.116 1.00 61.43 H new ATOM 0 HD2 TYR A 75 4.715 9.480 17.692 1.00 15.11 H new ATOM 0 HE1 TYR A 75 6.956 13.505 15.967 1.00 62.14 H new ATOM 0 HE2 TYR A 75 6.927 10.113 18.550 1.00 73.31 H new ATOM 0 HH TYR A 75 8.541 13.101 17.477 1.00 33.13 H new ATOM 1158 N HIS A 76 1.754 11.791 13.327 1.00 20.01 N ATOM 1159 CA HIS A 76 0.927 11.584 12.144 1.00 61.25 C ATOM 1160 C HIS A 76 1.486 10.456 11.281 1.00 41.31 C ATOM 1161 O HIS A 76 0.850 10.022 10.320 1.00 11.11 O ATOM 1162 CB HIS A 76 0.839 12.872 11.325 1.00 1.20 C ATOM 1163 CG HIS A 76 2.092 13.188 10.568 1.00 63.41 C ATOM 1164 ND1 HIS A 76 3.376 12.817 10.786 1.00 0.40 N flip ATOM 1165 CD2 HIS A 76 2.110 13.976 9.437 1.00 33.04 C flip ATOM 1166 CE1 HIS A 76 4.137 13.382 9.793 1.00 73.24 C flip ATOM 1167 NE2 HIS A 76 3.350 14.076 8.992 1.00 24.31 N flip ATOM 0 H HIS A 76 2.727 12.024 13.126 1.00 20.01 H new ATOM 0 HA HIS A 76 -0.073 11.304 12.475 1.00 61.25 H new ATOM 0 HB2 HIS A 76 0.011 12.789 10.622 1.00 1.20 H new ATOM 0 HB3 HIS A 76 0.609 13.702 11.993 1.00 1.20 H new ATOM 0 HD2 HIS A 76 1.245 14.439 8.985 1.00 33.04 H new ATOM 0 HE1 HIS A 76 5.206 13.276 9.685 1.00 73.24 H new ATOM 0 HE2 HIS A 76 3.648 14.600 8.169 1.00 24.31 H new ATOM 1175 N HIS A 77 2.680 9.987 11.630 1.00 72.23 N ATOM 1176 CA HIS A 77 3.325 8.910 10.887 1.00 74.31 C ATOM 1177 C HIS A 77 4.577 8.425 11.611 1.00 61.24 C ATOM 1178 O HIS A 77 4.666 7.262 12.004 1.00 44.30 O ATOM 1179 CB HIS A 77 3.685 9.379 9.477 1.00 23.21 C ATOM 1180 CG HIS A 77 4.628 8.460 8.763 1.00 74.52 C ATOM 1181 ND1 HIS A 77 4.218 7.562 7.800 1.00 71.14 N ATOM 1182 CD2 HIS A 77 5.967 8.303 8.875 1.00 44.52 C ATOM 1183 CE1 HIS A 77 5.265 6.892 7.351 1.00 13.23 C ATOM 1184 NE2 HIS A 77 6.339 7.324 7.987 1.00 31.33 N ATOM 0 H HIS A 77 3.220 10.336 12.422 1.00 72.23 H new ATOM 0 HA HIS A 77 2.623 8.079 10.816 1.00 74.31 H new ATOM 0 HB2 HIS A 77 2.771 9.476 8.891 1.00 23.21 H new ATOM 0 HB3 HIS A 77 4.132 10.371 9.536 1.00 23.21 H new ATOM 0 HD1 HIS A 77 3.257 7.435 7.484 1.00 71.14 H new ATOM 0 HD2 HIS A 77 6.622 8.847 9.540 1.00 44.52 H new ATOM 0 HE1 HIS A 77 5.246 6.123 6.593 1.00 13.23 H new ATOM 1192 N GLU A 78 5.542 9.324 11.781 1.00 34.42 N ATOM 1193 CA GLU A 78 6.789 8.985 12.456 1.00 3.50 C ATOM 1194 C GLU A 78 6.594 8.936 13.969 1.00 74.54 C ATOM 1195 O GLU A 78 6.311 9.952 14.602 1.00 24.14 O ATOM 1196 CB GLU A 78 7.877 10.003 12.105 1.00 71.12 C ATOM 1197 CG GLU A 78 7.422 11.447 12.228 1.00 11.33 C ATOM 1198 CD GLU A 78 8.572 12.431 12.139 1.00 25.05 C ATOM 1199 OE1 GLU A 78 9.733 12.005 12.317 1.00 12.44 O ATOM 1200 OE2 GLU A 78 8.312 13.627 11.892 1.00 52.04 O ATOM 0 H GLU A 78 5.484 10.291 11.461 1.00 34.42 H new ATOM 0 HA GLU A 78 7.100 7.998 12.115 1.00 3.50 H new ATOM 0 HB2 GLU A 78 8.735 9.845 12.758 1.00 71.12 H new ATOM 0 HB3 GLU A 78 8.215 9.823 11.085 1.00 71.12 H new ATOM 0 HG2 GLU A 78 6.701 11.665 11.440 1.00 11.33 H new ATOM 0 HG3 GLU A 78 6.906 11.582 13.179 1.00 11.33 H new ATOM 1207 N ALA A 79 6.745 7.745 14.540 1.00 40.21 N ATOM 1208 CA ALA A 79 6.587 7.562 15.977 1.00 34.02 C ATOM 1209 C ALA A 79 7.529 6.483 16.500 1.00 0.33 C ATOM 1210 O ALA A 79 7.202 5.297 16.478 1.00 52.22 O ATOM 1211 CB ALA A 79 5.144 7.211 16.309 1.00 73.14 C ATOM 0 H ALA A 79 6.976 6.893 14.029 1.00 40.21 H new ATOM 0 HA ALA A 79 6.844 8.501 16.468 1.00 34.02 H new ATOM 0 HB1 ALA A 79 5.041 7.077 17.386 1.00 73.14 H new ATOM 0 HB2 ALA A 79 4.488 8.017 15.979 1.00 73.14 H new ATOM 0 HB3 ALA A 79 4.868 6.287 15.800 1.00 73.14 H new ATOM 1217 N GLN A 80 8.699 6.903 16.970 1.00 44.43 N ATOM 1218 CA GLN A 80 9.689 5.972 17.497 1.00 64.32 C ATOM 1219 C GLN A 80 9.969 6.250 18.970 1.00 13.11 C ATOM 1220 O GLN A 80 9.910 7.395 19.418 1.00 4.21 O ATOM 1221 CB GLN A 80 10.987 6.065 16.693 1.00 64.01 C ATOM 1222 CG GLN A 80 12.168 5.379 17.362 1.00 52.05 C ATOM 1223 CD GLN A 80 13.454 5.532 16.574 1.00 22.11 C ATOM 1224 OE1 GLN A 80 13.750 4.734 15.684 1.00 35.43 O ATOM 1225 NE2 GLN A 80 14.228 6.561 16.898 1.00 50.31 N ATOM 0 H GLN A 80 8.984 7.882 16.997 1.00 44.43 H new ATOM 0 HA GLN A 80 9.285 4.964 17.407 1.00 64.32 H new ATOM 0 HB2 GLN A 80 10.828 5.621 15.710 1.00 64.01 H new ATOM 0 HB3 GLN A 80 11.231 7.115 16.533 1.00 64.01 H new ATOM 0 HG2 GLN A 80 12.306 5.794 18.360 1.00 52.05 H new ATOM 0 HG3 GLN A 80 11.946 4.319 17.485 1.00 52.05 H new ATOM 0 HE21 GLN A 80 13.944 7.198 17.642 1.00 50.31 H new ATOM 0 HE22 GLN A 80 15.106 6.714 16.403 1.00 50.31 H new ATOM 1234 N VAL A 81 10.272 5.195 19.720 1.00 60.14 N ATOM 1235 CA VAL A 81 10.561 5.326 21.143 1.00 60.33 C ATOM 1236 C VAL A 81 11.838 4.580 21.515 1.00 52.41 C ATOM 1237 O VAL A 81 12.112 3.499 20.995 1.00 52.45 O ATOM 1238 CB VAL A 81 9.399 4.793 22.003 1.00 65.15 C ATOM 1239 CG1 VAL A 81 9.674 5.034 23.479 1.00 31.31 C ATOM 1240 CG2 VAL A 81 8.087 5.438 21.583 1.00 3.34 C ATOM 0 H VAL A 81 10.324 4.240 19.365 1.00 60.14 H new ATOM 0 HA VAL A 81 10.693 6.389 21.343 1.00 60.33 H new ATOM 0 HB VAL A 81 9.315 3.718 21.845 1.00 65.15 H new ATOM 0 HG11 VAL A 81 8.843 4.651 24.071 1.00 31.31 H new ATOM 0 HG12 VAL A 81 10.591 4.521 23.767 1.00 31.31 H new ATOM 0 HG13 VAL A 81 9.785 6.103 23.659 1.00 31.31 H new ATOM 0 HG21 VAL A 81 7.277 5.050 22.201 1.00 3.34 H new ATOM 0 HG22 VAL A 81 8.155 6.518 21.711 1.00 3.34 H new ATOM 0 HG23 VAL A 81 7.887 5.208 20.536 1.00 3.34 H new ATOM 1250 N ALA A 82 12.616 5.166 22.420 1.00 73.24 N ATOM 1251 CA ALA A 82 13.863 4.556 22.864 1.00 51.11 C ATOM 1252 C ALA A 82 13.714 3.953 24.257 1.00 53.43 C ATOM 1253 O ALA A 82 13.181 4.590 25.166 1.00 43.41 O ATOM 1254 CB ALA A 82 14.987 5.582 22.848 1.00 33.30 C ATOM 0 H ALA A 82 12.404 6.062 22.859 1.00 73.24 H new ATOM 0 HA ALA A 82 14.111 3.750 22.173 1.00 51.11 H new ATOM 0 HB1 ALA A 82 15.913 5.113 23.182 1.00 33.30 H new ATOM 0 HB2 ALA A 82 15.118 5.963 21.835 1.00 33.30 H new ATOM 0 HB3 ALA A 82 14.737 6.406 23.516 1.00 33.30 H new ATOM 1260 N PHE A 83 14.186 2.722 24.417 1.00 24.11 N ATOM 1261 CA PHE A 83 14.104 2.032 25.699 1.00 10.45 C ATOM 1262 C PHE A 83 15.497 1.735 26.248 1.00 74.14 C ATOM 1263 O PHE A 83 16.027 0.634 26.100 1.00 64.12 O ATOM 1264 CB PHE A 83 13.313 0.731 25.553 1.00 54.11 C ATOM 1265 CG PHE A 83 12.032 0.892 24.785 1.00 34.32 C ATOM 1266 CD1 PHE A 83 11.106 1.856 25.150 1.00 44.54 C ATOM 1267 CD2 PHE A 83 11.753 0.077 23.699 1.00 14.44 C ATOM 1268 CE1 PHE A 83 9.927 2.007 24.445 1.00 12.21 C ATOM 1269 CE2 PHE A 83 10.575 0.224 22.991 1.00 60.21 C ATOM 1270 CZ PHE A 83 9.660 1.189 23.365 1.00 64.11 C ATOM 0 H PHE A 83 14.630 2.181 23.675 1.00 24.11 H new ATOM 0 HA PHE A 83 13.588 2.686 26.402 1.00 10.45 H new ATOM 0 HB2 PHE A 83 13.937 -0.010 25.053 1.00 54.11 H new ATOM 0 HB3 PHE A 83 13.086 0.340 26.545 1.00 54.11 H new ATOM 0 HD1 PHE A 83 11.308 2.497 25.995 1.00 44.54 H new ATOM 0 HD2 PHE A 83 12.463 -0.681 23.403 1.00 14.44 H new ATOM 0 HE1 PHE A 83 9.215 2.764 24.739 1.00 12.21 H new ATOM 0 HE2 PHE A 83 10.370 -0.416 22.145 1.00 60.21 H new ATOM 0 HZ PHE A 83 8.738 1.303 22.814 1.00 64.11 H new ATOM 1280 N PRO A 84 16.104 2.740 26.896 1.00 51.04 N ATOM 1281 CA PRO A 84 17.443 2.611 27.479 1.00 14.41 C ATOM 1282 C PRO A 84 17.460 1.688 28.693 1.00 53.24 C ATOM 1283 O PRO A 84 16.533 1.695 29.503 1.00 73.21 O ATOM 1284 CB PRO A 84 17.789 4.044 27.892 1.00 13.11 C ATOM 1285 CG PRO A 84 16.471 4.707 28.100 1.00 11.13 C ATOM 1286 CD PRO A 84 15.530 4.079 27.109 1.00 3.33 C ATOM 0 HA PRO A 84 18.153 2.172 26.778 1.00 14.41 H new ATOM 0 HB2 PRO A 84 18.388 4.060 28.802 1.00 13.11 H new ATOM 0 HB3 PRO A 84 18.369 4.549 27.120 1.00 13.11 H new ATOM 0 HG2 PRO A 84 16.117 4.561 29.121 1.00 11.13 H new ATOM 0 HG3 PRO A 84 16.546 5.783 27.940 1.00 11.13 H new ATOM 0 HD2 PRO A 84 14.514 4.023 27.499 1.00 3.33 H new ATOM 0 HD3 PRO A 84 15.484 4.649 26.181 1.00 3.33 H new ATOM 1294 N TYR A 85 18.519 0.896 28.812 1.00 21.12 N ATOM 1295 CA TYR A 85 18.656 -0.035 29.926 1.00 14.45 C ATOM 1296 C TYR A 85 19.193 0.675 31.166 1.00 73.41 C ATOM 1297 O TYR A 85 20.086 1.516 31.075 1.00 64.30 O ATOM 1298 CB TYR A 85 19.583 -1.189 29.544 1.00 43.14 C ATOM 1299 CG TYR A 85 19.087 -2.001 28.369 1.00 54.22 C ATOM 1300 CD1 TYR A 85 17.730 -2.242 28.190 1.00 52.42 C ATOM 1301 CD2 TYR A 85 19.974 -2.528 27.438 1.00 14.04 C ATOM 1302 CE1 TYR A 85 17.271 -2.983 27.118 1.00 22.44 C ATOM 1303 CE2 TYR A 85 19.524 -3.270 26.363 1.00 11.42 C ATOM 1304 CZ TYR A 85 18.172 -3.495 26.208 1.00 40.24 C ATOM 1305 OH TYR A 85 17.720 -4.234 25.139 1.00 62.33 O ATOM 0 H TYR A 85 19.296 0.880 28.151 1.00 21.12 H new ATOM 0 HA TYR A 85 17.668 -0.434 30.156 1.00 14.45 H new ATOM 0 HB2 TYR A 85 20.569 -0.789 29.308 1.00 43.14 H new ATOM 0 HB3 TYR A 85 19.704 -1.847 30.405 1.00 43.14 H new ATOM 0 HD1 TYR A 85 17.022 -1.843 28.901 1.00 52.42 H new ATOM 0 HD2 TYR A 85 21.033 -2.355 27.557 1.00 14.04 H new ATOM 0 HE1 TYR A 85 16.213 -3.160 26.993 1.00 22.44 H new ATOM 0 HE2 TYR A 85 20.227 -3.672 25.648 1.00 11.42 H new ATOM 0 HH TYR A 85 16.981 -4.809 25.428 1.00 62.33 H new ATOM 1315 N ALA A 86 18.641 0.328 32.324 1.00 74.31 N ATOM 1316 CA ALA A 86 19.065 0.928 33.583 1.00 53.04 C ATOM 1317 C ALA A 86 20.152 0.093 34.250 1.00 33.35 C ATOM 1318 O ALA A 86 20.860 0.571 35.137 1.00 60.40 O ATOM 1319 CB ALA A 86 17.875 1.093 34.516 1.00 34.22 C ATOM 0 H ALA A 86 17.899 -0.366 32.416 1.00 74.31 H new ATOM 0 HA ALA A 86 19.481 1.912 33.367 1.00 53.04 H new ATOM 0 HB1 ALA A 86 18.206 1.542 35.452 1.00 34.22 H new ATOM 0 HB2 ALA A 86 17.132 1.738 34.047 1.00 34.22 H new ATOM 0 HB3 ALA A 86 17.433 0.117 34.718 1.00 34.22 H new ATOM 1325 N LYS A 87 20.278 -1.158 33.820 1.00 4.03 N ATOM 1326 CA LYS A 87 21.279 -2.061 34.376 1.00 44.03 C ATOM 1327 C LYS A 87 21.651 -3.146 33.370 1.00 2.01 C ATOM 1328 O LYS A 87 20.787 -3.693 32.685 1.00 3.22 O ATOM 1329 CB LYS A 87 20.759 -2.702 35.664 1.00 10.23 C ATOM 1330 CG LYS A 87 21.637 -3.828 36.181 1.00 4.14 C ATOM 1331 CD LYS A 87 23.021 -3.327 36.559 1.00 44.01 C ATOM 1332 CE LYS A 87 22.998 -2.561 37.873 1.00 72.21 C ATOM 1333 NZ LYS A 87 23.755 -3.270 38.941 1.00 2.25 N ATOM 0 H LYS A 87 19.699 -1.570 33.088 1.00 4.03 H new ATOM 0 HA LYS A 87 22.172 -1.478 34.603 1.00 44.03 H new ATOM 0 HB2 LYS A 87 20.676 -1.935 36.434 1.00 10.23 H new ATOM 0 HB3 LYS A 87 19.755 -3.087 35.488 1.00 10.23 H new ATOM 0 HG2 LYS A 87 21.166 -4.289 37.049 1.00 4.14 H new ATOM 0 HG3 LYS A 87 21.725 -4.602 35.418 1.00 4.14 H new ATOM 0 HD2 LYS A 87 23.705 -4.172 36.641 1.00 44.01 H new ATOM 0 HD3 LYS A 87 23.404 -2.683 35.768 1.00 44.01 H new ATOM 0 HE2 LYS A 87 23.424 -1.569 37.723 1.00 72.21 H new ATOM 0 HE3 LYS A 87 21.966 -2.419 38.193 1.00 72.21 H new ATOM 0 HZ1 LYS A 87 23.716 -2.716 39.820 1.00 2.25 H new ATOM 0 HZ2 LYS A 87 23.333 -4.207 39.102 1.00 2.25 H new ATOM 0 HZ3 LYS A 87 24.746 -3.383 38.647 1.00 2.25 H new ATOM 1347 N ALA A 88 22.942 -3.453 33.288 1.00 75.21 N ATOM 1348 CA ALA A 88 23.426 -4.475 32.369 1.00 64.33 C ATOM 1349 C ALA A 88 22.682 -5.791 32.569 1.00 64.21 C ATOM 1350 O ALA A 88 22.522 -6.260 33.696 1.00 65.43 O ATOM 1351 CB ALA A 88 24.923 -4.680 32.549 1.00 22.23 C ATOM 0 H ALA A 88 23.670 -3.009 33.847 1.00 75.21 H new ATOM 0 HA ALA A 88 23.237 -4.132 31.352 1.00 64.33 H new ATOM 0 HB1 ALA A 88 25.271 -5.446 31.856 1.00 22.23 H new ATOM 0 HB2 ALA A 88 25.445 -3.745 32.348 1.00 22.23 H new ATOM 0 HB3 ALA A 88 25.127 -4.996 33.572 1.00 22.23 H new ATOM 1357 N VAL A 89 22.228 -6.382 31.468 1.00 24.42 N ATOM 1358 CA VAL A 89 21.501 -7.645 31.523 1.00 3.01 C ATOM 1359 C VAL A 89 21.927 -8.574 30.391 1.00 13.34 C ATOM 1360 O VAL A 89 21.989 -8.168 29.232 1.00 62.14 O ATOM 1361 CB VAL A 89 19.980 -7.420 31.443 1.00 34.25 C ATOM 1362 CG1 VAL A 89 19.233 -8.709 31.750 1.00 35.25 C ATOM 1363 CG2 VAL A 89 19.555 -6.309 32.392 1.00 22.42 C ATOM 0 H VAL A 89 22.351 -6.007 30.528 1.00 24.42 H new ATOM 0 HA VAL A 89 21.743 -8.108 32.480 1.00 3.01 H new ATOM 0 HB VAL A 89 19.728 -7.115 30.427 1.00 34.25 H new ATOM 0 HG11 VAL A 89 18.159 -8.531 31.689 1.00 35.25 H new ATOM 0 HG12 VAL A 89 19.516 -9.474 31.027 1.00 35.25 H new ATOM 0 HG13 VAL A 89 19.488 -9.047 32.754 1.00 35.25 H new ATOM 0 HG21 VAL A 89 18.477 -6.164 32.322 1.00 22.42 H new ATOM 0 HG22 VAL A 89 19.819 -6.582 33.414 1.00 22.42 H new ATOM 0 HG23 VAL A 89 20.064 -5.384 32.121 1.00 22.42 H new ATOM 1373 N GLY A 90 22.218 -9.824 30.737 1.00 23.10 N ATOM 1374 CA GLY A 90 22.634 -10.792 29.739 1.00 40.02 C ATOM 1375 C GLY A 90 21.531 -11.768 29.383 1.00 34.40 C ATOM 1376 O GLY A 90 21.686 -12.587 28.478 1.00 63.03 O ATOM 0 H GLY A 90 22.173 -10.184 31.690 1.00 23.10 H new ATOM 0 HA2 GLY A 90 22.954 -10.267 28.839 1.00 40.02 H new ATOM 0 HA3 GLY A 90 23.497 -11.344 30.110 1.00 40.02 H new ATOM 1380 N GLU A 91 20.413 -11.683 30.098 1.00 4.15 N ATOM 1381 CA GLU A 91 19.281 -12.569 29.854 1.00 0.42 C ATOM 1382 C GLU A 91 18.218 -11.872 29.010 1.00 53.01 C ATOM 1383 O GLU A 91 18.206 -10.649 28.866 1.00 33.34 O ATOM 1384 CB GLU A 91 18.673 -13.032 31.179 1.00 34.33 C ATOM 1385 CG GLU A 91 19.097 -14.433 31.587 1.00 74.45 C ATOM 1386 CD GLU A 91 18.125 -15.079 32.555 1.00 13.32 C ATOM 1387 OE1 GLU A 91 17.571 -14.355 33.409 1.00 30.14 O ATOM 1388 OE2 GLU A 91 17.918 -16.306 32.460 1.00 71.44 O ATOM 0 H GLU A 91 20.267 -11.010 30.850 1.00 4.15 H new ATOM 0 HA GLU A 91 19.644 -13.438 29.306 1.00 0.42 H new ATOM 0 HB2 GLU A 91 18.958 -12.332 31.964 1.00 34.33 H new ATOM 0 HB3 GLU A 91 17.586 -12.998 31.102 1.00 34.33 H new ATOM 0 HG2 GLU A 91 19.185 -15.056 30.697 1.00 74.45 H new ATOM 0 HG3 GLU A 91 20.085 -14.390 32.045 1.00 74.45 H new ATOM 1395 N PRO A 92 17.303 -12.668 28.437 1.00 50.05 N ATOM 1396 CA PRO A 92 16.219 -12.151 27.597 1.00 54.34 C ATOM 1397 C PRO A 92 15.182 -11.375 28.401 1.00 12.55 C ATOM 1398 O PRO A 92 14.959 -11.655 29.579 1.00 31.14 O ATOM 1399 CB PRO A 92 15.596 -13.416 27.002 1.00 31.41 C ATOM 1400 CG PRO A 92 15.918 -14.493 27.980 1.00 0.35 C ATOM 1401 CD PRO A 92 17.257 -14.134 28.565 1.00 75.24 C ATOM 0 HA PRO A 92 16.584 -11.447 26.849 1.00 54.34 H new ATOM 0 HB2 PRO A 92 14.519 -13.305 26.876 1.00 31.41 H new ATOM 0 HB3 PRO A 92 16.011 -13.637 26.019 1.00 31.41 H new ATOM 0 HG2 PRO A 92 15.156 -14.555 28.757 1.00 0.35 H new ATOM 0 HG3 PRO A 92 15.954 -15.466 27.491 1.00 0.35 H new ATOM 0 HD2 PRO A 92 17.339 -14.449 29.605 1.00 75.24 H new ATOM 0 HD3 PRO A 92 18.073 -14.611 28.022 1.00 75.24 H new ATOM 1409 N TYR A 93 14.551 -10.398 27.759 1.00 73.32 N ATOM 1410 CA TYR A 93 13.538 -9.580 28.416 1.00 64.11 C ATOM 1411 C TYR A 93 12.257 -9.531 27.590 1.00 72.33 C ATOM 1412 O TYR A 93 12.237 -9.936 26.427 1.00 21.21 O ATOM 1413 CB TYR A 93 14.067 -8.163 28.643 1.00 54.44 C ATOM 1414 CG TYR A 93 15.204 -7.786 27.720 1.00 11.55 C ATOM 1415 CD1 TYR A 93 16.514 -8.139 28.021 1.00 52.03 C ATOM 1416 CD2 TYR A 93 14.969 -7.075 26.550 1.00 61.12 C ATOM 1417 CE1 TYR A 93 17.556 -7.796 27.182 1.00 64.14 C ATOM 1418 CE2 TYR A 93 16.005 -6.729 25.704 1.00 22.22 C ATOM 1419 CZ TYR A 93 17.297 -7.092 26.024 1.00 11.34 C ATOM 1420 OH TYR A 93 18.332 -6.748 25.185 1.00 11.23 O ATOM 0 H TYR A 93 14.723 -10.153 26.784 1.00 73.32 H new ATOM 0 HA TYR A 93 13.309 -10.034 29.380 1.00 64.11 H new ATOM 0 HB2 TYR A 93 13.251 -7.454 28.509 1.00 54.44 H new ATOM 0 HB3 TYR A 93 14.403 -8.071 29.676 1.00 54.44 H new ATOM 0 HD1 TYR A 93 16.721 -8.691 28.926 1.00 52.03 H new ATOM 0 HD2 TYR A 93 13.959 -6.788 26.297 1.00 61.12 H new ATOM 0 HE1 TYR A 93 18.569 -8.077 27.431 1.00 64.14 H new ATOM 0 HE2 TYR A 93 15.805 -6.177 24.797 1.00 22.22 H new ATOM 0 HH TYR A 93 18.489 -5.782 25.238 1.00 11.23 H new ATOM 1430 N LYS A 94 11.187 -9.032 28.199 1.00 52.43 N ATOM 1431 CA LYS A 94 9.900 -8.926 27.522 1.00 72.44 C ATOM 1432 C LYS A 94 9.614 -7.484 27.117 1.00 1.43 C ATOM 1433 O LYS A 94 10.044 -6.544 27.788 1.00 55.45 O ATOM 1434 CB LYS A 94 8.780 -9.445 28.427 1.00 41.21 C ATOM 1435 CG LYS A 94 7.408 -9.411 27.777 1.00 72.41 C ATOM 1436 CD LYS A 94 6.539 -8.312 28.364 1.00 1.33 C ATOM 1437 CE LYS A 94 5.710 -8.821 29.533 1.00 11.03 C ATOM 1438 NZ LYS A 94 5.398 -7.737 30.506 1.00 60.32 N ATOM 0 H LYS A 94 11.186 -8.694 29.161 1.00 52.43 H new ATOM 0 HA LYS A 94 9.942 -9.536 26.620 1.00 72.44 H new ATOM 0 HB2 LYS A 94 9.008 -10.469 28.722 1.00 41.21 H new ATOM 0 HB3 LYS A 94 8.756 -8.849 29.339 1.00 41.21 H new ATOM 0 HG2 LYS A 94 7.517 -9.255 26.704 1.00 72.41 H new ATOM 0 HG3 LYS A 94 6.917 -10.375 27.911 1.00 72.41 H new ATOM 0 HD2 LYS A 94 7.169 -7.487 28.696 1.00 1.33 H new ATOM 0 HD3 LYS A 94 5.878 -7.918 27.592 1.00 1.33 H new ATOM 0 HE2 LYS A 94 4.781 -9.252 29.159 1.00 11.03 H new ATOM 0 HE3 LYS A 94 6.250 -9.620 30.041 1.00 11.03 H new ATOM 0 HZ1 LYS A 94 5.126 -8.157 31.418 1.00 60.32 H new ATOM 0 HZ2 LYS A 94 6.237 -7.136 30.637 1.00 60.32 H new ATOM 0 HZ3 LYS A 94 4.613 -7.160 30.143 1.00 60.32 H new ATOM 1452 N LEU A 95 8.886 -7.315 26.019 1.00 20.10 N ATOM 1453 CA LEU A 95 8.541 -5.986 25.526 1.00 2.02 C ATOM 1454 C LEU A 95 7.028 -5.812 25.442 1.00 62.22 C ATOM 1455 O LEU A 95 6.303 -6.749 25.106 1.00 12.51 O ATOM 1456 CB LEU A 95 9.170 -5.751 24.152 1.00 44.01 C ATOM 1457 CG LEU A 95 9.113 -4.317 23.624 1.00 64.11 C ATOM 1458 CD1 LEU A 95 10.177 -4.098 22.559 1.00 12.31 C ATOM 1459 CD2 LEU A 95 7.730 -4.007 23.071 1.00 61.13 C ATOM 0 H LEU A 95 8.523 -8.082 25.453 1.00 20.10 H new ATOM 0 HA LEU A 95 8.934 -5.251 26.229 1.00 2.02 H new ATOM 0 HB2 LEU A 95 10.214 -6.060 24.195 1.00 44.01 H new ATOM 0 HB3 LEU A 95 8.675 -6.402 23.432 1.00 44.01 H new ATOM 0 HG LEU A 95 9.312 -3.637 24.452 1.00 64.11 H new ATOM 0 HD11 LEU A 95 10.121 -3.072 22.195 1.00 12.31 H new ATOM 0 HD12 LEU A 95 11.163 -4.278 22.987 1.00 12.31 H new ATOM 0 HD13 LEU A 95 10.010 -4.787 21.731 1.00 12.31 H new ATOM 0 HD21 LEU A 95 7.708 -2.982 22.700 1.00 61.13 H new ATOM 0 HD22 LEU A 95 7.502 -4.693 22.256 1.00 61.13 H new ATOM 0 HD23 LEU A 95 6.988 -4.123 23.861 1.00 61.13 H new ATOM 1471 N VAL A 96 6.558 -4.607 25.747 1.00 42.33 N ATOM 1472 CA VAL A 96 5.132 -4.309 25.702 1.00 13.52 C ATOM 1473 C VAL A 96 4.868 -2.991 24.981 1.00 32.43 C ATOM 1474 O VAL A 96 5.237 -1.921 25.466 1.00 13.21 O ATOM 1475 CB VAL A 96 4.529 -4.236 27.118 1.00 71.13 C ATOM 1476 CG1 VAL A 96 3.015 -4.105 27.048 1.00 41.24 C ATOM 1477 CG2 VAL A 96 4.929 -5.458 27.930 1.00 63.40 C ATOM 0 H VAL A 96 7.144 -3.821 26.028 1.00 42.33 H new ATOM 0 HA VAL A 96 4.656 -5.122 25.153 1.00 13.52 H new ATOM 0 HB VAL A 96 4.923 -3.351 27.617 1.00 71.13 H new ATOM 0 HG11 VAL A 96 2.607 -4.055 28.058 1.00 41.24 H new ATOM 0 HG12 VAL A 96 2.753 -3.197 26.505 1.00 41.24 H new ATOM 0 HG13 VAL A 96 2.599 -4.969 26.531 1.00 41.24 H new ATOM 0 HG21 VAL A 96 4.495 -5.390 28.927 1.00 63.40 H new ATOM 0 HG22 VAL A 96 4.564 -6.359 27.436 1.00 63.40 H new ATOM 0 HG23 VAL A 96 6.015 -5.502 28.010 1.00 63.40 H new ATOM 1487 N LEU A 97 4.227 -3.077 23.821 1.00 13.40 N ATOM 1488 CA LEU A 97 3.912 -1.891 23.032 1.00 51.32 C ATOM 1489 C LEU A 97 2.403 -1.717 22.887 1.00 24.42 C ATOM 1490 O LEU A 97 1.679 -2.678 22.626 1.00 72.31 O ATOM 1491 CB LEU A 97 4.561 -1.987 21.650 1.00 54.22 C ATOM 1492 CG LEU A 97 5.636 -0.945 21.339 1.00 14.31 C ATOM 1493 CD1 LEU A 97 5.039 0.454 21.340 1.00 2.23 C ATOM 1494 CD2 LEU A 97 6.777 -1.041 22.341 1.00 51.20 C ATOM 0 H LEU A 97 3.915 -3.955 23.406 1.00 13.40 H new ATOM 0 HA LEU A 97 4.310 -1.021 23.555 1.00 51.32 H new ATOM 0 HB2 LEU A 97 5.003 -2.978 21.546 1.00 54.22 H new ATOM 0 HB3 LEU A 97 3.777 -1.907 20.896 1.00 54.22 H new ATOM 0 HG LEU A 97 6.034 -1.147 20.345 1.00 14.31 H new ATOM 0 HD11 LEU A 97 5.819 1.182 21.117 1.00 2.23 H new ATOM 0 HD12 LEU A 97 4.257 0.516 20.583 1.00 2.23 H new ATOM 0 HD13 LEU A 97 4.613 0.667 22.320 1.00 2.23 H new ATOM 0 HD21 LEU A 97 7.533 -0.292 22.104 1.00 51.20 H new ATOM 0 HD22 LEU A 97 6.394 -0.865 23.346 1.00 51.20 H new ATOM 0 HD23 LEU A 97 7.222 -2.035 22.291 1.00 51.20 H new ATOM 1506 N THR A 98 1.935 -0.485 23.057 1.00 44.42 N ATOM 1507 CA THR A 98 0.514 -0.185 22.944 1.00 13.44 C ATOM 1508 C THR A 98 0.280 1.065 22.103 1.00 4.23 C ATOM 1509 O THR A 98 0.823 2.132 22.395 1.00 74.52 O ATOM 1510 CB THR A 98 -0.130 0.015 24.330 1.00 44.14 C ATOM 1511 OG1 THR A 98 0.330 -0.996 25.233 1.00 34.24 O ATOM 1512 CG2 THR A 98 -1.647 -0.034 24.234 1.00 60.22 C ATOM 0 H THR A 98 2.520 0.322 23.274 1.00 44.42 H new ATOM 0 HA THR A 98 0.049 -1.041 22.455 1.00 13.44 H new ATOM 0 HB THR A 98 0.162 0.996 24.705 1.00 44.14 H new ATOM 0 HG1 THR A 98 -0.082 -0.862 26.112 1.00 34.24 H new ATOM 0 HG21 THR A 98 -2.079 0.110 25.224 1.00 60.22 H new ATOM 0 HG22 THR A 98 -1.995 0.756 23.568 1.00 60.22 H new ATOM 0 HG23 THR A 98 -1.956 -1.002 23.840 1.00 60.22 H new ATOM 1520 N TYR A 99 -0.530 0.927 21.060 1.00 43.43 N ATOM 1521 CA TYR A 99 -0.833 2.046 20.175 1.00 74.20 C ATOM 1522 C TYR A 99 -2.325 2.364 20.192 1.00 13.52 C ATOM 1523 O TYR A 99 -3.163 1.465 20.133 1.00 52.12 O ATOM 1524 CB TYR A 99 -0.384 1.731 18.747 1.00 34.52 C ATOM 1525 CG TYR A 99 0.808 0.803 18.678 1.00 12.13 C ATOM 1526 CD1 TYR A 99 2.104 1.302 18.721 1.00 70.04 C ATOM 1527 CD2 TYR A 99 0.638 -0.572 18.570 1.00 43.42 C ATOM 1528 CE1 TYR A 99 3.196 0.459 18.657 1.00 24.32 C ATOM 1529 CE2 TYR A 99 1.725 -1.422 18.507 1.00 32.54 C ATOM 1530 CZ TYR A 99 3.002 -0.903 18.551 1.00 14.32 C ATOM 1531 OH TYR A 99 4.086 -1.747 18.488 1.00 45.12 O ATOM 0 H TYR A 99 -0.989 0.052 20.806 1.00 43.43 H new ATOM 0 HA TYR A 99 -0.289 2.919 20.535 1.00 74.20 H new ATOM 0 HB2 TYR A 99 -1.216 1.282 18.204 1.00 34.52 H new ATOM 0 HB3 TYR A 99 -0.138 2.663 18.238 1.00 34.52 H new ATOM 0 HD1 TYR A 99 2.260 2.367 18.806 1.00 70.04 H new ATOM 0 HD2 TYR A 99 -0.360 -0.983 18.535 1.00 43.42 H new ATOM 0 HE1 TYR A 99 4.197 0.864 18.690 1.00 24.32 H new ATOM 0 HE2 TYR A 99 1.576 -2.488 18.424 1.00 32.54 H new ATOM 0 HH TYR A 99 3.775 -2.674 18.417 1.00 45.12 H new ATOM 1541 N GLN A 100 -2.648 3.651 20.273 1.00 0.34 N ATOM 1542 CA GLN A 100 -4.038 4.090 20.299 1.00 74.44 C ATOM 1543 C GLN A 100 -4.166 5.524 19.796 1.00 33.11 C ATOM 1544 O GLN A 100 -3.525 6.435 20.318 1.00 65.41 O ATOM 1545 CB GLN A 100 -4.604 3.981 21.716 1.00 61.23 C ATOM 1546 CG GLN A 100 -5.947 4.671 21.889 1.00 32.34 C ATOM 1547 CD GLN A 100 -6.542 4.452 23.267 1.00 42.33 C ATOM 1548 OE1 GLN A 100 -5.877 3.943 24.169 1.00 63.30 O ATOM 1549 NE2 GLN A 100 -7.801 4.838 23.436 1.00 32.30 N ATOM 0 H GLN A 100 -1.966 4.408 20.322 1.00 0.34 H new ATOM 0 HA GLN A 100 -4.610 3.440 19.637 1.00 74.44 H new ATOM 0 HB2 GLN A 100 -4.710 2.928 21.976 1.00 61.23 H new ATOM 0 HB3 GLN A 100 -3.890 4.412 22.418 1.00 61.23 H new ATOM 0 HG2 GLN A 100 -5.827 5.740 21.715 1.00 32.34 H new ATOM 0 HG3 GLN A 100 -6.641 4.301 21.135 1.00 32.34 H new ATOM 0 HE21 GLN A 100 -8.315 5.256 22.660 1.00 32.30 H new ATOM 0 HE22 GLN A 100 -8.254 4.717 24.342 1.00 32.30 H new ATOM 1558 N GLY A 101 -5.000 5.717 18.778 1.00 2.33 N ATOM 1559 CA GLY A 101 -5.196 7.043 18.222 1.00 50.11 C ATOM 1560 C GLY A 101 -6.490 7.158 17.441 1.00 11.50 C ATOM 1561 O GLY A 101 -7.435 6.406 17.678 1.00 61.35 O ATOM 0 H GLY A 101 -5.543 4.979 18.329 1.00 2.33 H new ATOM 0 HA2 GLY A 101 -5.196 7.776 19.029 1.00 50.11 H new ATOM 0 HA3 GLY A 101 -4.358 7.288 17.569 1.00 50.11 H new ATOM 1565 N SER A 102 -6.534 8.105 16.509 1.00 75.35 N ATOM 1566 CA SER A 102 -7.725 8.320 15.694 1.00 64.21 C ATOM 1567 C SER A 102 -7.344 8.709 14.269 1.00 73.04 C ATOM 1568 O SER A 102 -6.180 8.978 13.977 1.00 45.50 O ATOM 1569 CB SER A 102 -8.603 9.408 16.314 1.00 34.44 C ATOM 1570 OG SER A 102 -9.699 8.842 17.012 1.00 32.43 O ATOM 0 H SER A 102 -5.760 8.735 16.299 1.00 75.35 H new ATOM 0 HA SER A 102 -8.286 7.386 15.660 1.00 64.21 H new ATOM 0 HB2 SER A 102 -8.008 10.015 16.996 1.00 34.44 H new ATOM 0 HB3 SER A 102 -8.970 10.073 15.532 1.00 34.44 H new ATOM 0 HG SER A 102 -10.468 8.767 16.409 1.00 32.43 H new ATOM 1576 N ALA A 103 -8.336 8.736 13.385 1.00 73.24 N ATOM 1577 CA ALA A 103 -8.107 9.093 11.990 1.00 14.52 C ATOM 1578 C ALA A 103 -8.335 10.584 11.761 1.00 22.13 C ATOM 1579 O ALA A 103 -9.299 11.158 12.266 1.00 73.15 O ATOM 1580 CB ALA A 103 -9.010 8.274 11.080 1.00 13.01 C ATOM 0 H ALA A 103 -9.306 8.515 13.610 1.00 73.24 H new ATOM 0 HA ALA A 103 -7.068 8.869 11.749 1.00 14.52 H new ATOM 0 HB1 ALA A 103 -8.828 8.551 10.042 1.00 13.01 H new ATOM 0 HB2 ALA A 103 -8.797 7.214 11.215 1.00 13.01 H new ATOM 0 HB3 ALA A 103 -10.053 8.470 11.330 1.00 13.01 H new ATOM 1586 N GLU A 104 -7.440 11.204 10.999 1.00 41.24 N ATOM 1587 CA GLU A 104 -7.544 12.629 10.705 1.00 25.24 C ATOM 1588 C GLU A 104 -8.897 12.959 10.083 1.00 13.15 C ATOM 1589 O GLU A 104 -9.359 14.098 10.144 1.00 4.41 O ATOM 1590 CB GLU A 104 -6.418 13.061 9.763 1.00 11.43 C ATOM 1591 CG GLU A 104 -5.200 13.615 10.484 1.00 71.51 C ATOM 1592 CD GLU A 104 -4.780 14.974 9.960 1.00 1.12 C ATOM 1593 OE1 GLU A 104 -5.310 15.991 10.454 1.00 34.34 O ATOM 1594 OE2 GLU A 104 -3.920 15.021 9.056 1.00 62.12 O ATOM 0 H GLU A 104 -6.635 10.743 10.574 1.00 41.24 H new ATOM 0 HA GLU A 104 -7.453 13.175 11.644 1.00 25.24 H new ATOM 0 HB2 GLU A 104 -6.114 12.207 9.158 1.00 11.43 H new ATOM 0 HB3 GLU A 104 -6.799 13.818 9.078 1.00 11.43 H new ATOM 0 HG2 GLU A 104 -5.417 13.692 11.549 1.00 71.51 H new ATOM 0 HG3 GLU A 104 -4.370 12.916 10.377 1.00 71.51 H new ATOM 1601 N ALA A 105 -9.528 11.954 9.485 1.00 32.13 N ATOM 1602 CA ALA A 105 -10.829 12.136 8.854 1.00 50.35 C ATOM 1603 C ALA A 105 -11.929 12.292 9.898 1.00 54.24 C ATOM 1604 O ALA A 105 -12.941 12.949 9.655 1.00 43.24 O ATOM 1605 CB ALA A 105 -11.136 10.966 7.931 1.00 53.23 C ATOM 0 H ALA A 105 -9.159 11.005 9.424 1.00 32.13 H new ATOM 0 HA ALA A 105 -10.794 13.051 8.263 1.00 50.35 H new ATOM 0 HB1 ALA A 105 -12.111 11.115 7.466 1.00 53.23 H new ATOM 0 HB2 ALA A 105 -10.371 10.903 7.157 1.00 53.23 H new ATOM 0 HB3 ALA A 105 -11.147 10.041 8.507 1.00 53.23 H new ATOM 1611 N GLY A 106 -11.725 11.682 11.062 1.00 54.54 N ATOM 1612 CA GLY A 106 -12.710 11.765 12.125 1.00 44.21 C ATOM 1613 C GLY A 106 -13.198 10.401 12.570 1.00 1.14 C ATOM 1614 O GLY A 106 -14.400 10.184 12.725 1.00 62.21 O ATOM 0 H GLY A 106 -10.896 11.132 11.288 1.00 54.54 H new ATOM 0 HA2 GLY A 106 -12.277 12.289 12.977 1.00 44.21 H new ATOM 0 HA3 GLY A 106 -13.559 12.358 11.784 1.00 44.21 H new ATOM 1618 N VAL A 107 -12.264 9.478 12.776 1.00 21.01 N ATOM 1619 CA VAL A 107 -12.605 8.127 13.206 1.00 55.31 C ATOM 1620 C VAL A 107 -11.851 7.747 14.475 1.00 64.14 C ATOM 1621 O VAL A 107 -10.691 8.121 14.655 1.00 12.22 O ATOM 1622 CB VAL A 107 -12.295 7.093 12.107 1.00 1.34 C ATOM 1623 CG1 VAL A 107 -12.508 5.680 12.628 1.00 13.22 C ATOM 1624 CG2 VAL A 107 -13.150 7.351 10.876 1.00 12.42 C ATOM 0 H VAL A 107 -11.265 9.641 12.652 1.00 21.01 H new ATOM 0 HA VAL A 107 -13.676 8.120 13.408 1.00 55.31 H new ATOM 0 HB VAL A 107 -11.248 7.195 11.821 1.00 1.34 H new ATOM 0 HG11 VAL A 107 -12.284 4.963 11.838 1.00 13.22 H new ATOM 0 HG12 VAL A 107 -11.848 5.502 13.477 1.00 13.22 H new ATOM 0 HG13 VAL A 107 -13.545 5.561 12.943 1.00 13.22 H new ATOM 0 HG21 VAL A 107 -12.918 6.611 10.110 1.00 12.42 H new ATOM 0 HG22 VAL A 107 -14.204 7.278 11.143 1.00 12.42 H new ATOM 0 HG23 VAL A 107 -12.942 8.349 10.491 1.00 12.42 H new ATOM 1634 N CYS A 108 -12.515 7.001 15.350 1.00 1.13 N ATOM 1635 CA CYS A 108 -11.907 6.569 16.604 1.00 43.41 C ATOM 1636 C CYS A 108 -11.897 5.048 16.708 1.00 62.23 C ATOM 1637 O CYS A 108 -12.950 4.410 16.731 1.00 3.01 O ATOM 1638 CB CYS A 108 -12.659 7.169 17.793 1.00 61.02 C ATOM 1639 SG CYS A 108 -12.038 6.635 19.405 1.00 44.03 S ATOM 0 H CYS A 108 -13.474 6.682 15.215 1.00 1.13 H new ATOM 0 HA CYS A 108 -10.876 6.923 16.620 1.00 43.41 H new ATOM 0 HB2 CYS A 108 -12.601 8.256 17.735 1.00 61.02 H new ATOM 0 HB3 CYS A 108 -13.713 6.902 17.715 1.00 61.02 H new ATOM 0 HG CYS A 108 -12.736 7.197 20.347 1.00 44.03 H new ATOM 1645 N TYR A 109 -10.701 4.472 16.768 1.00 12.11 N ATOM 1646 CA TYR A 109 -10.554 3.025 16.865 1.00 21.30 C ATOM 1647 C TYR A 109 -10.017 2.622 18.235 1.00 13.34 C ATOM 1648 O TYR A 109 -9.430 3.425 18.961 1.00 65.13 O ATOM 1649 CB TYR A 109 -9.619 2.512 15.768 1.00 33.53 C ATOM 1650 CG TYR A 109 -8.481 3.456 15.452 1.00 74.43 C ATOM 1651 CD1 TYR A 109 -8.642 4.485 14.533 1.00 40.40 C ATOM 1652 CD2 TYR A 109 -7.246 3.318 16.072 1.00 2.13 C ATOM 1653 CE1 TYR A 109 -7.605 5.350 14.240 1.00 22.43 C ATOM 1654 CE2 TYR A 109 -6.203 4.179 15.787 1.00 74.42 C ATOM 1655 CZ TYR A 109 -6.388 5.192 14.870 1.00 44.32 C ATOM 1656 OH TYR A 109 -5.352 6.052 14.582 1.00 74.00 O ATOM 0 H TYR A 109 -9.820 4.985 16.751 1.00 12.11 H new ATOM 0 HA TYR A 109 -11.539 2.576 16.734 1.00 21.30 H new ATOM 0 HB2 TYR A 109 -9.208 1.550 16.073 1.00 33.53 H new ATOM 0 HB3 TYR A 109 -10.198 2.338 14.861 1.00 33.53 H new ATOM 0 HD1 TYR A 109 -9.594 4.611 14.039 1.00 40.40 H new ATOM 0 HD2 TYR A 109 -7.098 2.524 16.789 1.00 2.13 H new ATOM 0 HE1 TYR A 109 -7.746 6.145 13.522 1.00 22.43 H new ATOM 0 HE2 TYR A 109 -5.249 4.059 16.279 1.00 74.42 H new ATOM 0 HH TYR A 109 -5.435 6.366 13.657 1.00 74.00 H new ATOM 1666 N PRO A 110 -10.223 1.348 18.599 1.00 33.12 N ATOM 1667 CA PRO A 110 -9.767 0.808 19.884 1.00 75.25 C ATOM 1668 C PRO A 110 -8.249 0.685 19.955 1.00 52.51 C ATOM 1669 O PRO A 110 -7.552 0.711 18.941 1.00 41.04 O ATOM 1670 CB PRO A 110 -10.419 -0.577 19.937 1.00 5.53 C ATOM 1671 CG PRO A 110 -10.633 -0.950 18.511 1.00 11.12 C ATOM 1672 CD PRO A 110 -10.917 0.336 17.785 1.00 65.23 C ATOM 0 HA PRO A 110 -10.039 1.455 20.718 1.00 75.25 H new ATOM 0 HB2 PRO A 110 -9.776 -1.298 20.443 1.00 5.53 H new ATOM 0 HB3 PRO A 110 -11.361 -0.550 20.485 1.00 5.53 H new ATOM 0 HG2 PRO A 110 -9.752 -1.444 18.100 1.00 11.12 H new ATOM 0 HG3 PRO A 110 -11.465 -1.647 18.410 1.00 11.12 H new ATOM 0 HD2 PRO A 110 -10.538 0.313 16.763 1.00 65.23 H new ATOM 0 HD3 PRO A 110 -11.987 0.535 17.723 1.00 65.23 H new ATOM 1680 N PRO A 111 -7.723 0.549 21.181 1.00 23.10 N ATOM 1681 CA PRO A 111 -6.281 0.419 21.414 1.00 72.15 C ATOM 1682 C PRO A 111 -5.733 -0.917 20.923 1.00 40.44 C ATOM 1683 O PRO A 111 -6.449 -1.918 20.887 1.00 42.54 O ATOM 1684 CB PRO A 111 -6.157 0.521 22.936 1.00 61.12 C ATOM 1685 CG PRO A 111 -7.480 0.073 23.455 1.00 44.12 C ATOM 1686 CD PRO A 111 -8.494 0.510 22.435 1.00 52.33 C ATOM 0 HA PRO A 111 -5.711 1.176 20.875 1.00 72.15 H new ATOM 0 HB2 PRO A 111 -5.351 -0.110 23.311 1.00 61.12 H new ATOM 0 HB3 PRO A 111 -5.935 1.542 23.248 1.00 61.12 H new ATOM 0 HG2 PRO A 111 -7.501 -1.009 23.588 1.00 44.12 H new ATOM 0 HG3 PRO A 111 -7.689 0.518 24.428 1.00 44.12 H new ATOM 0 HD2 PRO A 111 -9.328 -0.189 22.372 1.00 52.33 H new ATOM 0 HD3 PRO A 111 -8.914 1.486 22.679 1.00 52.33 H new ATOM 1694 N VAL A 112 -4.458 -0.925 20.545 1.00 33.24 N ATOM 1695 CA VAL A 112 -3.814 -2.139 20.058 1.00 45.41 C ATOM 1696 C VAL A 112 -2.568 -2.465 20.874 1.00 45.53 C ATOM 1697 O VAL A 112 -1.571 -1.744 20.818 1.00 23.13 O ATOM 1698 CB VAL A 112 -3.423 -2.009 18.574 1.00 63.03 C ATOM 1699 CG1 VAL A 112 -2.977 -3.353 18.019 1.00 24.55 C ATOM 1700 CG2 VAL A 112 -4.582 -1.448 17.765 1.00 54.11 C ATOM 0 H VAL A 112 -3.852 -0.105 20.567 1.00 33.24 H new ATOM 0 HA VAL A 112 -4.537 -2.947 20.166 1.00 45.41 H new ATOM 0 HB VAL A 112 -2.586 -1.315 18.497 1.00 63.03 H new ATOM 0 HG11 VAL A 112 -2.705 -3.241 16.969 1.00 24.55 H new ATOM 0 HG12 VAL A 112 -2.115 -3.711 18.581 1.00 24.55 H new ATOM 0 HG13 VAL A 112 -3.792 -4.072 18.108 1.00 24.55 H new ATOM 0 HG21 VAL A 112 -4.288 -1.363 16.719 1.00 54.11 H new ATOM 0 HG22 VAL A 112 -5.440 -2.115 17.848 1.00 54.11 H new ATOM 0 HG23 VAL A 112 -4.850 -0.463 18.148 1.00 54.11 H new ATOM 1710 N ASP A 113 -2.631 -3.555 21.630 1.00 1.31 N ATOM 1711 CA ASP A 113 -1.507 -3.978 22.457 1.00 62.11 C ATOM 1712 C ASP A 113 -0.736 -5.112 21.787 1.00 11.43 C ATOM 1713 O ASP A 113 -1.327 -6.005 21.180 1.00 60.21 O ATOM 1714 CB ASP A 113 -1.999 -4.424 23.835 1.00 41.32 C ATOM 1715 CG ASP A 113 -0.919 -5.124 24.637 1.00 54.43 C ATOM 1716 OD1 ASP A 113 0.208 -4.591 24.706 1.00 54.54 O ATOM 1717 OD2 ASP A 113 -1.201 -6.205 25.195 1.00 52.03 O ATOM 0 H ASP A 113 -3.449 -4.162 21.687 1.00 1.31 H new ATOM 0 HA ASP A 113 -0.836 -3.127 22.577 1.00 62.11 H new ATOM 0 HB2 ASP A 113 -2.354 -3.555 24.390 1.00 41.32 H new ATOM 0 HB3 ASP A 113 -2.850 -5.094 23.714 1.00 41.32 H new ATOM 1722 N THR A 114 0.588 -5.069 21.901 1.00 12.51 N ATOM 1723 CA THR A 114 1.440 -6.090 21.305 1.00 12.31 C ATOM 1724 C THR A 114 2.732 -6.257 22.096 1.00 63.44 C ATOM 1725 O THR A 114 3.452 -5.289 22.338 1.00 34.12 O ATOM 1726 CB THR A 114 1.786 -5.750 19.843 1.00 11.52 C ATOM 1727 OG1 THR A 114 1.198 -4.495 19.480 1.00 62.43 O ATOM 1728 CG2 THR A 114 1.292 -6.838 18.903 1.00 60.33 C ATOM 0 H THR A 114 1.093 -4.337 22.401 1.00 12.51 H new ATOM 0 HA THR A 114 0.879 -7.024 21.329 1.00 12.31 H new ATOM 0 HB THR A 114 2.870 -5.682 19.756 1.00 11.52 H new ATOM 0 HG1 THR A 114 1.141 -4.430 18.504 1.00 62.43 H new ATOM 0 HG21 THR A 114 1.548 -6.576 17.876 1.00 60.33 H new ATOM 0 HG22 THR A 114 1.763 -7.786 19.164 1.00 60.33 H new ATOM 0 HG23 THR A 114 0.210 -6.934 18.994 1.00 60.33 H new ATOM 1736 N GLU A 115 3.021 -7.492 22.494 1.00 30.41 N ATOM 1737 CA GLU A 115 4.228 -7.785 23.258 1.00 61.42 C ATOM 1738 C GLU A 115 5.266 -8.488 22.387 1.00 51.41 C ATOM 1739 O GLU A 115 4.933 -9.365 21.590 1.00 32.33 O ATOM 1740 CB GLU A 115 3.892 -8.655 24.471 1.00 2.23 C ATOM 1741 CG GLU A 115 3.293 -7.877 25.630 1.00 13.54 C ATOM 1742 CD GLU A 115 3.529 -8.549 26.969 1.00 72.12 C ATOM 1743 OE1 GLU A 115 4.105 -9.657 26.983 1.00 2.45 O ATOM 1744 OE2 GLU A 115 3.137 -7.967 28.002 1.00 52.11 O ATOM 0 H GLU A 115 2.436 -8.305 22.300 1.00 30.41 H new ATOM 0 HA GLU A 115 4.647 -6.840 23.602 1.00 61.42 H new ATOM 0 HB2 GLU A 115 3.192 -9.433 24.167 1.00 2.23 H new ATOM 0 HB3 GLU A 115 4.798 -9.156 24.811 1.00 2.23 H new ATOM 0 HG2 GLU A 115 3.722 -6.875 25.650 1.00 13.54 H new ATOM 0 HG3 GLU A 115 2.221 -7.762 25.470 1.00 13.54 H new ATOM 1751 N PHE A 116 6.525 -8.094 22.544 1.00 25.33 N ATOM 1752 CA PHE A 116 7.613 -8.684 21.772 1.00 53.12 C ATOM 1753 C PHE A 116 8.657 -9.309 22.692 1.00 20.11 C ATOM 1754 O PHE A 116 9.142 -8.668 23.624 1.00 11.25 O ATOM 1755 CB PHE A 116 8.268 -7.625 20.883 1.00 3.33 C ATOM 1756 CG PHE A 116 7.300 -6.920 19.977 1.00 50.20 C ATOM 1757 CD1 PHE A 116 6.520 -7.636 19.083 1.00 3.20 C ATOM 1758 CD2 PHE A 116 7.170 -5.541 20.019 1.00 51.14 C ATOM 1759 CE1 PHE A 116 5.628 -6.990 18.248 1.00 71.21 C ATOM 1760 CE2 PHE A 116 6.279 -4.890 19.186 1.00 0.03 C ATOM 1761 CZ PHE A 116 5.508 -5.615 18.299 1.00 60.30 C ATOM 0 H PHE A 116 6.818 -7.369 23.199 1.00 25.33 H new ATOM 0 HA PHE A 116 7.194 -9.469 21.142 1.00 53.12 H new ATOM 0 HB2 PHE A 116 8.764 -6.888 21.515 1.00 3.33 H new ATOM 0 HB3 PHE A 116 9.041 -8.098 20.278 1.00 3.33 H new ATOM 0 HD1 PHE A 116 6.610 -8.711 19.038 1.00 3.20 H new ATOM 0 HD2 PHE A 116 7.771 -4.969 20.710 1.00 51.14 H new ATOM 0 HE1 PHE A 116 5.025 -7.560 17.556 1.00 71.21 H new ATOM 0 HE2 PHE A 116 6.186 -3.815 19.229 1.00 0.03 H new ATOM 0 HZ PHE A 116 4.813 -5.108 17.647 1.00 60.30 H new ATOM 1771 N ASP A 117 8.998 -10.565 22.423 1.00 13.44 N ATOM 1772 CA ASP A 117 9.985 -11.278 23.226 1.00 14.41 C ATOM 1773 C ASP A 117 11.395 -11.027 22.702 1.00 1.42 C ATOM 1774 O ASP A 117 11.736 -11.431 21.590 1.00 33.00 O ATOM 1775 CB ASP A 117 9.686 -12.778 23.225 1.00 3.34 C ATOM 1776 CG ASP A 117 8.307 -13.094 23.768 1.00 14.03 C ATOM 1777 OD1 ASP A 117 8.103 -12.949 24.992 1.00 35.00 O ATOM 1778 OD2 ASP A 117 7.431 -13.486 22.969 1.00 14.54 O ATOM 0 H ASP A 117 8.606 -11.110 21.655 1.00 13.44 H new ATOM 0 HA ASP A 117 9.925 -10.904 24.248 1.00 14.41 H new ATOM 0 HB2 ASP A 117 9.769 -13.161 22.208 1.00 3.34 H new ATOM 0 HB3 ASP A 117 10.436 -13.295 23.823 1.00 3.34 H new ATOM 1783 N ILE A 118 12.210 -10.356 23.510 1.00 62.53 N ATOM 1784 CA ILE A 118 13.583 -10.052 23.127 1.00 2.21 C ATOM 1785 C ILE A 118 14.549 -11.105 23.660 1.00 71.04 C ATOM 1786 O ILE A 118 14.563 -11.402 24.854 1.00 23.23 O ATOM 1787 CB ILE A 118 14.017 -8.667 23.642 1.00 10.32 C ATOM 1788 CG1 ILE A 118 12.907 -7.640 23.406 1.00 63.11 C ATOM 1789 CG2 ILE A 118 15.305 -8.228 22.962 1.00 62.21 C ATOM 1790 CD1 ILE A 118 12.547 -7.465 21.947 1.00 13.04 C ATOM 0 H ILE A 118 11.943 -10.013 24.433 1.00 62.53 H new ATOM 0 HA ILE A 118 13.614 -10.052 22.037 1.00 2.21 H new ATOM 0 HB ILE A 118 14.201 -8.736 24.714 1.00 10.32 H new ATOM 0 HG12 ILE A 118 12.018 -7.945 23.957 1.00 63.11 H new ATOM 0 HG13 ILE A 118 13.220 -6.678 23.813 1.00 63.11 H new ATOM 0 HG21 ILE A 118 15.598 -7.247 23.337 1.00 62.21 H new ATOM 0 HG22 ILE A 118 16.094 -8.949 23.176 1.00 62.21 H new ATOM 0 HG23 ILE A 118 15.147 -8.172 21.885 1.00 62.21 H new ATOM 0 HD11 ILE A 118 11.754 -6.723 21.854 1.00 13.04 H new ATOM 0 HD12 ILE A 118 13.424 -7.130 21.393 1.00 13.04 H new ATOM 0 HD13 ILE A 118 12.203 -8.416 21.541 1.00 13.04 H new ATOM 1802 N PHE A 119 15.356 -11.666 22.765 1.00 4.53 N ATOM 1803 CA PHE A 119 16.327 -12.686 23.145 1.00 50.50 C ATOM 1804 C PHE A 119 17.450 -12.778 22.116 1.00 52.31 C ATOM 1805 O PHE A 119 18.053 -13.834 21.931 1.00 34.15 O ATOM 1806 CB PHE A 119 15.640 -14.045 23.290 1.00 52.12 C ATOM 1807 CG PHE A 119 14.541 -14.271 22.291 1.00 41.42 C ATOM 1808 CD1 PHE A 119 14.753 -14.031 20.943 1.00 72.55 C ATOM 1809 CD2 PHE A 119 13.297 -14.722 22.700 1.00 72.31 C ATOM 1810 CE1 PHE A 119 13.743 -14.238 20.021 1.00 3.45 C ATOM 1811 CE2 PHE A 119 12.283 -14.931 21.783 1.00 4.32 C ATOM 1812 CZ PHE A 119 12.507 -14.689 20.442 1.00 5.11 C ATOM 0 H PHE A 119 15.357 -11.432 21.772 1.00 4.53 H new ATOM 0 HA PHE A 119 16.760 -12.401 24.104 1.00 50.50 H new ATOM 0 HB2 PHE A 119 16.385 -14.833 23.183 1.00 52.12 H new ATOM 0 HB3 PHE A 119 15.229 -14.130 24.296 1.00 52.12 H new ATOM 0 HD1 PHE A 119 15.717 -13.678 20.609 1.00 72.55 H new ATOM 0 HD2 PHE A 119 13.117 -14.913 23.748 1.00 72.31 H new ATOM 0 HE1 PHE A 119 13.920 -14.047 18.973 1.00 3.45 H new ATOM 0 HE2 PHE A 119 11.317 -15.283 22.115 1.00 4.32 H new ATOM 0 HZ PHE A 119 11.717 -14.852 19.724 1.00 5.11 H new ATOM 1822 N GLY A 120 17.725 -11.662 21.447 1.00 53.21 N ATOM 1823 CA GLY A 120 18.773 -11.637 20.444 1.00 23.41 C ATOM 1824 C GLY A 120 18.247 -11.903 19.048 1.00 54.23 C ATOM 1825 O GLY A 120 17.866 -13.027 18.724 1.00 23.11 O ATOM 0 H GLY A 120 17.240 -10.775 21.582 1.00 53.21 H new ATOM 0 HA2 GLY A 120 19.267 -10.666 20.464 1.00 23.41 H new ATOM 0 HA3 GLY A 120 19.527 -12.383 20.693 1.00 23.41 H new ATOM 1829 N ASN A 121 18.223 -10.864 18.219 1.00 75.33 N ATOM 1830 CA ASN A 121 17.736 -10.990 16.850 1.00 70.34 C ATOM 1831 C ASN A 121 17.830 -9.657 16.114 1.00 61.11 C ATOM 1832 O ASN A 121 18.096 -9.616 14.914 1.00 45.14 O ATOM 1833 CB ASN A 121 16.289 -11.488 16.844 1.00 0.53 C ATOM 1834 CG ASN A 121 16.039 -12.527 15.769 1.00 71.21 C ATOM 1835 OD1 ASN A 121 15.949 -13.722 16.054 1.00 52.54 O ATOM 1836 ND2 ASN A 121 15.926 -12.076 14.525 1.00 33.20 N ATOM 0 H ASN A 121 18.535 -9.926 18.471 1.00 75.33 H new ATOM 0 HA ASN A 121 18.364 -11.715 16.333 1.00 70.34 H new ATOM 0 HB2 ASN A 121 16.050 -11.913 17.819 1.00 0.53 H new ATOM 0 HB3 ASN A 121 15.618 -10.643 16.692 1.00 0.53 H new ATOM 0 HD21 ASN A 121 15.758 -12.728 13.759 1.00 33.20 H new ATOM 0 HD22 ASN A 121 16.007 -11.077 14.335 1.00 33.20 H new ATOM 1843 N GLY A 122 17.610 -8.568 16.844 1.00 52.42 N ATOM 1844 CA GLY A 122 17.675 -7.248 16.244 1.00 14.43 C ATOM 1845 C GLY A 122 16.317 -6.750 15.790 1.00 50.13 C ATOM 1846 O GLY A 122 15.690 -5.930 16.462 1.00 44.34 O ATOM 0 H GLY A 122 17.388 -8.576 17.840 1.00 52.42 H new ATOM 0 HA2 GLY A 122 18.094 -6.545 16.964 1.00 14.43 H new ATOM 0 HA3 GLY A 122 18.353 -7.273 15.391 1.00 14.43 H new ATOM 1850 N THR A 123 15.860 -7.245 14.644 1.00 70.23 N ATOM 1851 CA THR A 123 14.569 -6.844 14.098 1.00 5.12 C ATOM 1852 C THR A 123 13.451 -7.740 14.617 1.00 73.02 C ATOM 1853 O THR A 123 13.574 -8.965 14.619 1.00 21.15 O ATOM 1854 CB THR A 123 14.573 -6.885 12.558 1.00 30.44 C ATOM 1855 OG1 THR A 123 15.919 -6.860 12.071 1.00 61.12 O ATOM 1856 CG2 THR A 123 13.798 -5.709 11.984 1.00 72.43 C ATOM 0 H THR A 123 16.365 -7.925 14.076 1.00 70.23 H new ATOM 0 HA THR A 123 14.391 -5.820 14.426 1.00 5.12 H new ATOM 0 HB THR A 123 14.089 -7.808 12.239 1.00 30.44 H new ATOM 0 HG1 THR A 123 15.913 -6.888 11.091 1.00 61.12 H new ATOM 0 HG21 THR A 123 13.815 -5.759 10.895 1.00 72.43 H new ATOM 0 HG22 THR A 123 12.766 -5.748 12.333 1.00 72.43 H new ATOM 0 HG23 THR A 123 14.257 -4.776 12.311 1.00 72.43 H new ATOM 1864 N TYR A 124 12.359 -7.122 15.055 1.00 63.34 N ATOM 1865 CA TYR A 124 11.219 -7.865 15.577 1.00 15.24 C ATOM 1866 C TYR A 124 9.907 -7.295 15.045 1.00 63.11 C ATOM 1867 O TYR A 124 9.767 -6.084 14.874 1.00 40.33 O ATOM 1868 CB TYR A 124 11.219 -7.831 17.107 1.00 54.33 C ATOM 1869 CG TYR A 124 12.456 -8.441 17.726 1.00 74.01 C ATOM 1870 CD1 TYR A 124 13.670 -7.767 17.709 1.00 1.53 C ATOM 1871 CD2 TYR A 124 12.409 -9.692 18.329 1.00 64.24 C ATOM 1872 CE1 TYR A 124 14.803 -8.321 18.273 1.00 12.12 C ATOM 1873 CE2 TYR A 124 13.537 -10.254 18.896 1.00 13.33 C ATOM 1874 CZ TYR A 124 14.731 -9.564 18.866 1.00 61.44 C ATOM 1875 OH TYR A 124 15.857 -10.119 19.430 1.00 72.43 O ATOM 0 H TYR A 124 12.240 -6.109 15.059 1.00 63.34 H new ATOM 0 HA TYR A 124 11.307 -8.899 15.243 1.00 15.24 H new ATOM 0 HB2 TYR A 124 11.129 -6.797 17.439 1.00 54.33 H new ATOM 0 HB3 TYR A 124 10.340 -8.361 17.474 1.00 54.33 H new ATOM 0 HD1 TYR A 124 13.730 -6.793 17.247 1.00 1.53 H new ATOM 0 HD2 TYR A 124 11.475 -10.234 18.355 1.00 64.24 H new ATOM 0 HE1 TYR A 124 15.740 -7.784 18.250 1.00 12.12 H new ATOM 0 HE2 TYR A 124 13.484 -11.228 19.360 1.00 13.33 H new ATOM 0 HH TYR A 124 15.636 -10.997 19.806 1.00 72.43 H new ATOM 1885 N HIS A 125 8.948 -8.178 14.785 1.00 22.11 N ATOM 1886 CA HIS A 125 7.647 -7.765 14.273 1.00 15.40 C ATOM 1887 C HIS A 125 6.535 -8.641 14.843 1.00 1.20 C ATOM 1888 O HIS A 125 6.747 -9.800 15.200 1.00 12.23 O ATOM 1889 CB HIS A 125 7.631 -7.831 12.746 1.00 43.34 C ATOM 1890 CG HIS A 125 8.848 -7.234 12.108 1.00 23.21 C ATOM 1891 ND1 HIS A 125 9.794 -7.985 11.443 1.00 25.33 N ATOM 1892 CD2 HIS A 125 9.270 -5.950 12.035 1.00 22.10 C ATOM 1893 CE1 HIS A 125 10.747 -7.189 10.990 1.00 34.44 C ATOM 1894 NE2 HIS A 125 10.452 -5.949 11.336 1.00 40.03 N ATOM 0 H HIS A 125 9.048 -9.184 14.921 1.00 22.11 H new ATOM 0 HA HIS A 125 7.472 -6.736 14.586 1.00 15.40 H new ATOM 0 HB2 HIS A 125 7.542 -8.872 12.436 1.00 43.34 H new ATOM 0 HB3 HIS A 125 6.746 -7.312 12.377 1.00 43.34 H new ATOM 0 HD1 HIS A 125 9.763 -8.997 11.320 1.00 25.33 H new ATOM 0 HD2 HIS A 125 8.770 -5.087 12.449 1.00 22.10 H new ATOM 0 HE1 HIS A 125 11.618 -7.500 10.432 1.00 34.44 H new ATOM 1902 N PRO A 126 5.322 -8.076 14.932 1.00 51.34 N ATOM 1903 CA PRO A 126 4.154 -8.788 15.458 1.00 55.32 C ATOM 1904 C PRO A 126 3.678 -9.893 14.521 1.00 22.22 C ATOM 1905 O PRO A 126 3.916 -9.841 13.315 1.00 60.21 O ATOM 1906 CB PRO A 126 3.092 -7.691 15.573 1.00 71.02 C ATOM 1907 CG PRO A 126 3.494 -6.667 14.568 1.00 24.30 C ATOM 1908 CD PRO A 126 4.997 -6.698 14.524 1.00 22.35 C ATOM 0 HA PRO A 126 4.373 -9.289 16.401 1.00 55.32 H new ATOM 0 HB2 PRO A 126 2.096 -8.081 15.364 1.00 71.02 H new ATOM 0 HB3 PRO A 126 3.065 -7.270 16.578 1.00 71.02 H new ATOM 0 HG2 PRO A 126 3.070 -6.893 13.590 1.00 24.30 H new ATOM 0 HG3 PRO A 126 3.132 -5.679 14.852 1.00 24.30 H new ATOM 0 HD2 PRO A 126 5.374 -6.475 13.526 1.00 22.35 H new ATOM 0 HD3 PRO A 126 5.434 -5.965 15.202 1.00 22.35 H new ATOM 1916 N GLN A 127 3.006 -10.891 15.085 1.00 75.42 N ATOM 1917 CA GLN A 127 2.497 -12.009 14.299 1.00 63.34 C ATOM 1918 C GLN A 127 0.972 -12.017 14.285 1.00 3.51 C ATOM 1919 O GLN A 127 0.344 -13.067 14.421 1.00 10.12 O ATOM 1920 CB GLN A 127 3.020 -13.333 14.858 1.00 24.33 C ATOM 1921 CG GLN A 127 2.595 -13.598 16.293 1.00 15.24 C ATOM 1922 CD GLN A 127 3.654 -14.334 17.090 1.00 14.12 C ATOM 1923 OE1 GLN A 127 4.065 -13.885 18.161 1.00 61.34 O ATOM 1924 NE2 GLN A 127 4.101 -15.471 16.571 1.00 21.35 N ATOM 0 H GLN A 127 2.801 -10.949 16.083 1.00 75.42 H new ATOM 0 HA GLN A 127 2.850 -11.890 13.275 1.00 63.34 H new ATOM 0 HB2 GLN A 127 2.667 -14.149 14.227 1.00 24.33 H new ATOM 0 HB3 GLN A 127 4.109 -13.336 14.804 1.00 24.33 H new ATOM 0 HG2 GLN A 127 2.371 -12.650 16.782 1.00 15.24 H new ATOM 0 HG3 GLN A 127 1.675 -14.182 16.293 1.00 15.24 H new ATOM 0 HE21 GLN A 127 3.732 -15.805 15.681 1.00 21.35 H new ATOM 0 HE22 GLN A 127 4.814 -16.011 17.062 1.00 21.35 H new ATOM 1933 N THR A 128 0.381 -10.837 14.120 1.00 21.12 N ATOM 1934 CA THR A 128 -1.070 -10.707 14.090 1.00 31.25 C ATOM 1935 C THR A 128 -1.546 -10.164 12.748 1.00 11.31 C ATOM 1936 O THR A 128 -2.160 -10.882 11.958 1.00 1.14 O ATOM 1937 CB THR A 128 -1.574 -9.782 15.214 1.00 55.10 C ATOM 1938 OG1 THR A 128 -0.864 -8.539 15.181 1.00 22.22 O ATOM 1939 CG2 THR A 128 -1.397 -10.437 16.575 1.00 34.52 C ATOM 0 H THR A 128 0.886 -9.958 14.005 1.00 21.12 H new ATOM 0 HA THR A 128 -1.480 -11.706 14.240 1.00 31.25 H new ATOM 0 HB THR A 128 -2.636 -9.598 15.053 1.00 55.10 H new ATOM 0 HG1 THR A 128 -1.191 -7.956 15.897 1.00 22.22 H new ATOM 0 HG21 THR A 128 -1.760 -9.765 17.352 1.00 34.52 H new ATOM 0 HG22 THR A 128 -1.963 -11.368 16.607 1.00 34.52 H new ATOM 0 HG23 THR A 128 -0.341 -10.649 16.742 1.00 34.52 H new TER 1947 THR A 128