USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=24 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 99 TYR OH : rot 30:sc= 0.814 USER MOD Set 1.2: A 114 THR OG1 : rot 105:sc= 1.57 USER MOD Set 2.1: A 85 TYR OH : rot -67:sc= 0.966 USER MOD Set 2.2: A 93 TYR OH : rot 150:sc= 0.85 USER MOD Set 3.1: A 27 ASN : amide:sc= 0.575 K(o=1.2,f=-0.97) USER MOD Set 3.2: A 80 GLN : amide:sc= 0.632 K(o=1.2,f=-0.8) USER MOD Set 4.1: A 46 LYS NZ :NH3+ 167:sc= 0.539 (180deg=0.0272) USER MOD Set 4.2: A 48 ASN : amide:sc= -1.77 X(o=-1.2,f=-1.4) USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= -0.0208 USER MOD Set 5.2: A 39 TYR OH : rot 180:sc= -0.0184 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.04 X(o=-0.04,f=-0.37) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 167:sc= 0.45 USER MOD Single : A 38 MET CE :methyl 169:sc= -4.74! (180deg=-5.47!) USER MOD Single : A 40 GLN : amide:sc= -3.36 X(o=-3.4,f=-3.3) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 55 GLN : amide:sc= -0.377 K(o=-0.38,f=-1.1) USER MOD Single : A 57 SER OG : rot 180:sc= 0 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= -0.138 (180deg=-0.519) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00683 USER MOD Single : A 75 TYR OH : rot 20:sc= 1.09 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.163 F(o=-1.5,f=-0.16) USER MOD Single : A 77 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.058) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.409) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 100 GLN : amide:sc= -2.76 K(o=-2.8,f=-6.8!) USER MOD Single : A 102 SER OG : rot -86:sc= 0.26 USER MOD Single : A 108 CYS SG : rot 42:sc= -0.0366 USER MOD Single : A 109 TYR OH : rot -34:sc= 0.164 USER MOD Single : A 121 ASN : amide:sc=-0.00665 X(o=-0.0067,f=-0.14) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 165:sc= -0.867 USER MOD Single : A 125 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.3) 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 -6.424 6.564 -4.055 1.00 11.31 N ATOM 2 CA MET A 1 -5.582 7.030 -5.150 1.00 64.14 C ATOM 3 C MET A 1 -4.111 6.741 -4.866 1.00 11.32 C ATOM 4 O MET A 1 -3.435 6.079 -5.653 1.00 53.50 O ATOM 5 CB MET A 1 -5.785 8.529 -5.377 1.00 3.34 C ATOM 6 CG MET A 1 -6.997 8.856 -6.234 1.00 22.21 C ATOM 7 SD MET A 1 -7.478 10.590 -6.124 1.00 35.11 S ATOM 8 CE MET A 1 -6.177 11.364 -7.080 1.00 42.21 C ATOM 0 H1 MET A 1 -7.420 6.771 -4.271 1.00 11.31 H new ATOM 0 H2 MET A 1 -6.302 5.538 -3.936 1.00 11.31 H new ATOM 0 H3 MET A 1 -6.152 7.050 -3.177 1.00 11.31 H new ATOM 0 HA MET A 1 -5.872 6.491 -6.052 1.00 64.14 H new ATOM 0 HB2 MET A 1 -5.889 9.023 -4.411 1.00 3.34 H new ATOM 0 HB3 MET A 1 -4.894 8.940 -5.851 1.00 3.34 H new ATOM 0 HG2 MET A 1 -6.780 8.608 -7.273 1.00 22.21 H new ATOM 0 HG3 MET A 1 -7.835 8.230 -5.926 1.00 22.21 H new ATOM 0 HE1 MET A 1 -6.336 12.442 -7.105 1.00 42.21 H new ATOM 0 HE2 MET A 1 -5.212 11.150 -6.621 1.00 42.21 H new ATOM 0 HE3 MET A 1 -6.190 10.972 -8.097 1.00 42.21 H new ATOM 18 N ALA A 2 -3.622 7.243 -3.736 1.00 71.53 N ATOM 19 CA ALA A 2 -2.232 7.037 -3.348 1.00 34.22 C ATOM 20 C ALA A 2 -2.102 5.873 -2.371 1.00 62.24 C ATOM 21 O ALA A 2 -1.139 5.107 -2.427 1.00 44.14 O ATOM 22 CB ALA A 2 -1.662 8.308 -2.736 1.00 64.23 C ATOM 0 H ALA A 2 -4.168 7.795 -3.074 1.00 71.53 H new ATOM 0 HA ALA A 2 -1.662 6.791 -4.244 1.00 34.22 H new ATOM 0 HB1 ALA A 2 -0.623 8.140 -2.451 1.00 64.23 H new ATOM 0 HB2 ALA A 2 -1.712 9.117 -3.465 1.00 64.23 H new ATOM 0 HB3 ALA A 2 -2.242 8.579 -1.853 1.00 64.23 H new ATOM 28 N LEU A 3 -3.075 5.745 -1.477 1.00 15.33 N ATOM 29 CA LEU A 3 -3.069 4.674 -0.486 1.00 51.14 C ATOM 30 C LEU A 3 -1.839 4.769 0.410 1.00 24.40 C ATOM 31 O LEU A 3 -0.983 5.633 0.218 1.00 70.33 O ATOM 32 CB LEU A 3 -3.105 3.311 -1.180 1.00 53.31 C ATOM 33 CG LEU A 3 -4.076 3.182 -2.355 1.00 23.43 C ATOM 34 CD1 LEU A 3 -3.849 1.871 -3.092 1.00 40.12 C ATOM 35 CD2 LEU A 3 -5.515 3.281 -1.871 1.00 10.41 C ATOM 0 H LEU A 3 -3.879 6.370 -1.417 1.00 15.33 H new ATOM 0 HA LEU A 3 -3.958 4.782 0.136 1.00 51.14 H new ATOM 0 HB2 LEU A 3 -2.101 3.081 -1.537 1.00 53.31 H new ATOM 0 HB3 LEU A 3 -3.361 2.554 -0.438 1.00 53.31 H new ATOM 0 HG LEU A 3 -3.890 4.003 -3.048 1.00 23.43 H new ATOM 0 HD11 LEU A 3 -4.548 1.796 -3.925 1.00 40.12 H new ATOM 0 HD12 LEU A 3 -2.828 1.839 -3.472 1.00 40.12 H new ATOM 0 HD13 LEU A 3 -4.008 1.037 -2.408 1.00 40.12 H new ATOM 0 HD21 LEU A 3 -6.192 3.187 -2.720 1.00 10.41 H new ATOM 0 HD22 LEU A 3 -5.715 2.481 -1.158 1.00 10.41 H new ATOM 0 HD23 LEU A 3 -5.671 4.246 -1.388 1.00 10.41 H new ATOM 47 N ASP A 4 -1.756 3.873 1.388 1.00 4.50 N ATOM 48 CA ASP A 4 -0.628 3.854 2.313 1.00 60.44 C ATOM 49 C ASP A 4 -0.571 5.142 3.128 1.00 60.40 C ATOM 50 O ASP A 4 0.467 5.485 3.693 1.00 61.22 O ATOM 51 CB ASP A 4 0.683 3.661 1.548 1.00 34.10 C ATOM 52 CG ASP A 4 1.362 2.348 1.885 1.00 74.14 C ATOM 53 OD1 ASP A 4 1.736 2.158 3.061 1.00 50.54 O ATOM 54 OD2 ASP A 4 1.520 1.510 0.972 1.00 55.02 O ATOM 0 H ASP A 4 -2.456 3.151 1.561 1.00 4.50 H new ATOM 0 HA ASP A 4 -0.766 3.018 2.999 1.00 60.44 H new ATOM 0 HB2 ASP A 4 0.484 3.700 0.477 1.00 34.10 H new ATOM 0 HB3 ASP A 4 1.359 4.485 1.777 1.00 34.10 H new ATOM 59 N ALA A 5 -1.694 5.851 3.184 1.00 65.14 N ATOM 60 CA ALA A 5 -1.771 7.100 3.930 1.00 15.41 C ATOM 61 C ALA A 5 -3.175 7.693 3.863 1.00 2.31 C ATOM 62 O ALA A 5 -3.419 8.652 3.132 1.00 11.34 O ATOM 63 CB ALA A 5 -0.750 8.096 3.401 1.00 61.01 C ATOM 0 H ALA A 5 -2.562 5.581 2.722 1.00 65.14 H new ATOM 0 HA ALA A 5 -1.544 6.885 4.974 1.00 15.41 H new ATOM 0 HB1 ALA A 5 -0.820 9.024 3.968 1.00 61.01 H new ATOM 0 HB2 ALA A 5 0.252 7.680 3.507 1.00 61.01 H new ATOM 0 HB3 ALA A 5 -0.950 8.298 2.349 1.00 61.01 H new ATOM 69 N ASN A 6 -4.094 7.115 4.630 1.00 4.40 N ATOM 70 CA ASN A 6 -5.474 7.587 4.656 1.00 24.43 C ATOM 71 C ASN A 6 -6.311 6.762 5.629 1.00 55.12 C ATOM 72 O ASN A 6 -5.823 5.803 6.227 1.00 41.04 O ATOM 73 CB ASN A 6 -6.084 7.519 3.255 1.00 33.11 C ATOM 74 CG ASN A 6 -6.857 8.774 2.900 1.00 15.32 C ATOM 75 OD1 ASN A 6 -6.389 9.890 3.127 1.00 51.13 O ATOM 76 ND2 ASN A 6 -8.049 8.597 2.341 1.00 63.02 N ATOM 0 H ASN A 6 -3.908 6.320 5.241 1.00 4.40 H new ATOM 0 HA ASN A 6 -5.472 8.623 4.994 1.00 24.43 H new ATOM 0 HB2 ASN A 6 -5.291 7.365 2.523 1.00 33.11 H new ATOM 0 HB3 ASN A 6 -6.748 6.657 3.192 1.00 33.11 H new ATOM 0 HD21 ASN A 6 -8.616 9.405 2.082 1.00 63.02 H new ATOM 0 HD22 ASN A 6 -8.398 7.654 2.171 1.00 63.02 H new ATOM 83 N ASP A 7 -7.575 7.142 5.781 1.00 32.04 N ATOM 84 CA ASP A 7 -8.482 6.437 6.680 1.00 54.23 C ATOM 85 C ASP A 7 -9.307 5.404 5.918 1.00 13.24 C ATOM 86 O ASP A 7 -10.331 4.927 6.410 1.00 71.02 O ATOM 87 CB ASP A 7 -9.409 7.429 7.385 1.00 50.14 C ATOM 88 CG ASP A 7 -10.609 7.804 6.537 1.00 63.52 C ATOM 89 OD1 ASP A 7 -10.438 8.590 5.581 1.00 33.23 O ATOM 90 OD2 ASP A 7 -11.718 7.310 6.828 1.00 21.31 O ATOM 0 H ASP A 7 -7.995 7.934 5.294 1.00 32.04 H new ATOM 0 HA ASP A 7 -7.883 5.918 7.428 1.00 54.23 H new ATOM 0 HB2 ASP A 7 -9.753 6.996 8.324 1.00 50.14 H new ATOM 0 HB3 ASP A 7 -8.849 8.330 7.635 1.00 50.14 H new ATOM 95 N LEU A 8 -8.856 5.064 4.716 1.00 20.23 N ATOM 96 CA LEU A 8 -9.553 4.088 3.886 1.00 63.34 C ATOM 97 C LEU A 8 -9.025 2.680 4.142 1.00 74.52 C ATOM 98 O LEU A 8 -9.721 1.691 3.902 1.00 1.44 O ATOM 99 CB LEU A 8 -9.395 4.442 2.406 1.00 3.51 C ATOM 100 CG LEU A 8 -10.131 3.538 1.417 1.00 42.33 C ATOM 101 CD1 LEU A 8 -9.315 2.287 1.128 1.00 15.43 C ATOM 102 CD2 LEU A 8 -11.506 3.169 1.953 1.00 31.13 C ATOM 0 H LEU A 8 -8.011 5.450 4.294 1.00 20.23 H new ATOM 0 HA LEU A 8 -10.611 4.114 4.149 1.00 63.34 H new ATOM 0 HB2 LEU A 8 -9.741 5.465 2.259 1.00 3.51 H new ATOM 0 HB3 LEU A 8 -8.333 4.426 2.161 1.00 3.51 H new ATOM 0 HG LEU A 8 -10.262 4.084 0.483 1.00 42.33 H new ATOM 0 HD11 LEU A 8 -9.855 1.656 0.422 1.00 15.43 H new ATOM 0 HD12 LEU A 8 -8.354 2.571 0.700 1.00 15.43 H new ATOM 0 HD13 LEU A 8 -9.151 1.737 2.055 1.00 15.43 H new ATOM 0 HD21 LEU A 8 -12.015 2.525 1.236 1.00 31.13 H new ATOM 0 HD22 LEU A 8 -11.398 2.642 2.901 1.00 31.13 H new ATOM 0 HD23 LEU A 8 -12.092 4.075 2.107 1.00 31.13 H new ATOM 114 N LEU A 9 -7.794 2.595 4.631 1.00 25.25 N ATOM 115 CA LEU A 9 -7.173 1.307 4.923 1.00 41.10 C ATOM 116 C LEU A 9 -7.369 0.927 6.387 1.00 11.12 C ATOM 117 O LEU A 9 -7.605 1.775 7.248 1.00 51.32 O ATOM 118 CB LEU A 9 -5.680 1.351 4.591 1.00 13.33 C ATOM 119 CG LEU A 9 -4.964 2.667 4.896 1.00 4.24 C ATOM 120 CD1 LEU A 9 -5.092 3.015 6.371 1.00 1.42 C ATOM 121 CD2 LEU A 9 -3.499 2.583 4.492 1.00 51.12 C ATOM 0 H LEU A 9 -7.205 3.403 4.834 1.00 25.25 H new ATOM 0 HA LEU A 9 -7.655 0.551 4.303 1.00 41.10 H new ATOM 0 HB2 LEU A 9 -5.182 0.553 5.142 1.00 13.33 H new ATOM 0 HB3 LEU A 9 -5.557 1.131 3.531 1.00 13.33 H new ATOM 0 HG LEU A 9 -5.436 3.459 4.314 1.00 4.24 H new ATOM 0 HD11 LEU A 9 -4.576 3.955 6.569 1.00 1.42 H new ATOM 0 HD12 LEU A 9 -6.146 3.118 6.631 1.00 1.42 H new ATOM 0 HD13 LEU A 9 -4.646 2.223 6.972 1.00 1.42 H new ATOM 0 HD21 LEU A 9 -3.005 3.528 4.716 1.00 51.12 H new ATOM 0 HD22 LEU A 9 -3.014 1.780 5.047 1.00 51.12 H new ATOM 0 HD23 LEU A 9 -3.427 2.381 3.423 1.00 51.12 H new ATOM 133 N PRO A 10 -7.267 -0.378 6.679 1.00 73.12 N ATOM 134 CA PRO A 10 -7.427 -0.900 8.039 1.00 33.13 C ATOM 135 C PRO A 10 -6.270 -0.506 8.951 1.00 14.11 C ATOM 136 O PRO A 10 -5.173 -0.181 8.497 1.00 52.22 O ATOM 137 CB PRO A 10 -7.455 -2.417 7.836 1.00 32.02 C ATOM 138 CG PRO A 10 -6.708 -2.643 6.567 1.00 31.12 C ATOM 139 CD PRO A 10 -6.988 -1.445 5.703 1.00 42.11 C ATOM 0 HA PRO A 10 -8.319 -0.505 8.525 1.00 33.13 H new ATOM 0 HB2 PRO A 10 -6.984 -2.937 8.670 1.00 32.02 H new ATOM 0 HB3 PRO A 10 -8.477 -2.788 7.765 1.00 32.02 H new ATOM 0 HG2 PRO A 10 -5.640 -2.747 6.756 1.00 31.12 H new ATOM 0 HG3 PRO A 10 -7.036 -3.561 6.079 1.00 31.12 H new ATOM 0 HD2 PRO A 10 -6.136 -1.198 5.070 1.00 42.11 H new ATOM 0 HD3 PRO A 10 -7.837 -1.616 5.041 1.00 42.11 H new ATOM 147 N PRO A 11 -6.518 -0.535 10.269 1.00 52.00 N ATOM 148 CA PRO A 11 -5.508 -0.185 11.272 1.00 14.52 C ATOM 149 C PRO A 11 -4.394 -1.221 11.360 1.00 62.44 C ATOM 150 O PRO A 11 -3.402 -1.022 12.060 1.00 12.33 O ATOM 151 CB PRO A 11 -6.305 -0.145 12.579 1.00 53.44 C ATOM 152 CG PRO A 11 -7.468 -1.046 12.341 1.00 44.30 C ATOM 153 CD PRO A 11 -7.803 -0.913 10.881 1.00 10.32 C ATOM 0 HA PRO A 11 -5.005 0.752 11.034 1.00 14.52 H new ATOM 0 HB2 PRO A 11 -5.703 -0.489 13.420 1.00 53.44 H new ATOM 0 HB3 PRO A 11 -6.631 0.868 12.813 1.00 53.44 H new ATOM 0 HG2 PRO A 11 -7.220 -2.077 12.592 1.00 44.30 H new ATOM 0 HG3 PRO A 11 -8.316 -0.761 12.964 1.00 44.30 H new ATOM 0 HD2 PRO A 11 -8.185 -1.847 10.470 1.00 10.32 H new ATOM 0 HD3 PRO A 11 -8.567 -0.155 10.712 1.00 10.32 H new ATOM 161 N GLU A 12 -4.564 -2.328 10.643 1.00 21.33 N ATOM 162 CA GLU A 12 -3.571 -3.396 10.642 1.00 71.35 C ATOM 163 C GLU A 12 -2.331 -2.985 9.853 1.00 72.34 C ATOM 164 O GLU A 12 -1.206 -3.093 10.341 1.00 12.41 O ATOM 165 CB GLU A 12 -4.166 -4.675 10.048 1.00 51.00 C ATOM 166 CG GLU A 12 -5.509 -5.057 10.647 1.00 10.34 C ATOM 167 CD GLU A 12 -5.574 -6.517 11.050 1.00 74.35 C ATOM 168 OE1 GLU A 12 -5.195 -7.376 10.226 1.00 23.21 O ATOM 169 OE2 GLU A 12 -6.005 -6.802 12.186 1.00 12.45 O ATOM 0 H GLU A 12 -5.379 -2.508 10.056 1.00 21.33 H new ATOM 0 HA GLU A 12 -3.277 -3.586 11.674 1.00 71.35 H new ATOM 0 HB2 GLU A 12 -4.281 -4.546 8.972 1.00 51.00 H new ATOM 0 HB3 GLU A 12 -3.464 -5.496 10.198 1.00 51.00 H new ATOM 0 HG2 GLU A 12 -5.704 -4.434 11.520 1.00 10.34 H new ATOM 0 HG3 GLU A 12 -6.298 -4.848 9.924 1.00 10.34 H new ATOM 176 N LYS A 13 -2.545 -2.515 8.629 1.00 53.54 N ATOM 177 CA LYS A 13 -1.447 -2.086 7.770 1.00 33.12 C ATOM 178 C LYS A 13 -1.171 -0.596 7.943 1.00 30.01 C ATOM 179 O LYS A 13 -0.135 -0.093 7.509 1.00 54.22 O ATOM 180 CB LYS A 13 -1.770 -2.389 6.305 1.00 22.33 C ATOM 181 CG LYS A 13 -2.971 -1.625 5.776 1.00 31.02 C ATOM 182 CD LYS A 13 -2.558 -0.566 4.768 1.00 13.42 C ATOM 183 CE LYS A 13 -1.933 -1.189 3.530 1.00 44.53 C ATOM 184 NZ LYS A 13 -2.299 -0.448 2.291 1.00 40.21 N ATOM 0 H LYS A 13 -3.470 -2.421 8.209 1.00 53.54 H new ATOM 0 HA LYS A 13 -0.554 -2.639 8.061 1.00 33.12 H new ATOM 0 HB2 LYS A 13 -0.900 -2.150 5.693 1.00 22.33 H new ATOM 0 HB3 LYS A 13 -1.953 -3.458 6.196 1.00 22.33 H new ATOM 0 HG2 LYS A 13 -3.669 -2.320 5.309 1.00 31.02 H new ATOM 0 HG3 LYS A 13 -3.498 -1.153 6.606 1.00 31.02 H new ATOM 0 HD2 LYS A 13 -3.429 0.023 4.480 1.00 13.42 H new ATOM 0 HD3 LYS A 13 -1.848 0.120 5.230 1.00 13.42 H new ATOM 0 HE2 LYS A 13 -0.848 -1.202 3.638 1.00 44.53 H new ATOM 0 HE3 LYS A 13 -2.257 -2.226 3.442 1.00 44.53 H new ATOM 0 HZ1 LYS A 13 -1.853 -0.904 1.469 1.00 40.21 H new ATOM 0 HZ2 LYS A 13 -3.332 -0.457 2.174 1.00 40.21 H new ATOM 0 HZ3 LYS A 13 -1.967 0.535 2.364 1.00 40.21 H new ATOM 198 N ALA A 14 -2.103 0.104 8.581 1.00 33.11 N ATOM 199 CA ALA A 14 -1.958 1.535 8.814 1.00 0.43 C ATOM 200 C ALA A 14 -0.749 1.828 9.697 1.00 71.14 C ATOM 201 O ALA A 14 -0.203 2.931 9.673 1.00 42.05 O ATOM 202 CB ALA A 14 -3.223 2.098 9.445 1.00 1.52 C ATOM 0 H ALA A 14 -2.967 -0.297 8.946 1.00 33.11 H new ATOM 0 HA ALA A 14 -1.798 2.020 7.851 1.00 0.43 H new ATOM 0 HB1 ALA A 14 -3.100 3.168 9.613 1.00 1.52 H new ATOM 0 HB2 ALA A 14 -4.068 1.930 8.778 1.00 1.52 H new ATOM 0 HB3 ALA A 14 -3.408 1.600 10.397 1.00 1.52 H new ATOM 208 N PHE A 15 -0.336 0.833 10.475 1.00 14.55 N ATOM 209 CA PHE A 15 0.807 0.985 11.367 1.00 4.03 C ATOM 210 C PHE A 15 1.885 -0.047 11.050 1.00 63.24 C ATOM 211 O PHE A 15 1.599 -1.235 10.901 1.00 74.22 O ATOM 212 CB PHE A 15 0.366 0.846 12.826 1.00 71.43 C ATOM 213 CG PHE A 15 -0.873 1.629 13.154 1.00 21.24 C ATOM 214 CD1 PHE A 15 -0.896 3.007 13.009 1.00 74.54 C ATOM 215 CD2 PHE A 15 -2.014 0.987 13.609 1.00 41.43 C ATOM 216 CE1 PHE A 15 -2.035 3.730 13.311 1.00 22.53 C ATOM 217 CE2 PHE A 15 -3.155 1.705 13.913 1.00 54.15 C ATOM 218 CZ PHE A 15 -3.166 3.078 13.763 1.00 70.04 C ATOM 0 H PHE A 15 -0.776 -0.087 10.506 1.00 14.55 H new ATOM 0 HA PHE A 15 1.225 1.980 11.214 1.00 4.03 H new ATOM 0 HB2 PHE A 15 0.190 -0.207 13.045 1.00 71.43 H new ATOM 0 HB3 PHE A 15 1.177 1.175 13.476 1.00 71.43 H new ATOM 0 HD1 PHE A 15 -0.015 3.522 12.656 1.00 74.54 H new ATOM 0 HD2 PHE A 15 -2.011 -0.086 13.727 1.00 41.43 H new ATOM 0 HE1 PHE A 15 -2.041 4.804 13.194 1.00 22.53 H new ATOM 0 HE2 PHE A 15 -4.037 1.193 14.268 1.00 54.15 H new ATOM 0 HZ PHE A 15 -4.057 3.641 13.999 1.00 70.04 H new ATOM 228 N VAL A 16 3.127 0.415 10.946 1.00 2.44 N ATOM 229 CA VAL A 16 4.249 -0.466 10.647 1.00 61.31 C ATOM 230 C VAL A 16 5.275 -0.453 11.775 1.00 51.25 C ATOM 231 O VAL A 16 6.281 0.255 11.723 1.00 23.43 O ATOM 232 CB VAL A 16 4.943 -0.065 9.332 1.00 51.14 C ATOM 233 CG1 VAL A 16 6.073 -1.030 9.008 1.00 4.30 C ATOM 234 CG2 VAL A 16 3.935 -0.010 8.193 1.00 22.33 C ATOM 0 H VAL A 16 3.381 1.396 11.065 1.00 2.44 H new ATOM 0 HA VAL A 16 3.842 -1.472 10.542 1.00 61.31 H new ATOM 0 HB VAL A 16 5.371 0.930 9.457 1.00 51.14 H new ATOM 0 HG11 VAL A 16 6.551 -0.730 8.076 1.00 4.30 H new ATOM 0 HG12 VAL A 16 6.807 -1.014 9.814 1.00 4.30 H new ATOM 0 HG13 VAL A 16 5.672 -2.038 8.902 1.00 4.30 H new ATOM 0 HG21 VAL A 16 4.443 0.275 7.271 1.00 22.33 H new ATOM 0 HG22 VAL A 16 3.476 -0.990 8.066 1.00 22.33 H new ATOM 0 HG23 VAL A 16 3.164 0.725 8.425 1.00 22.33 H new ATOM 244 N PRO A 17 5.017 -1.254 12.819 1.00 14.41 N ATOM 245 CA PRO A 17 5.907 -1.353 13.980 1.00 55.23 C ATOM 246 C PRO A 17 7.221 -2.050 13.645 1.00 75.23 C ATOM 247 O PRO A 17 7.242 -3.027 12.897 1.00 54.24 O ATOM 248 CB PRO A 17 5.098 -2.186 14.977 1.00 73.43 C ATOM 249 CG PRO A 17 4.167 -2.987 14.133 1.00 31.53 C ATOM 250 CD PRO A 17 3.836 -2.124 12.947 1.00 20.42 C ATOM 0 HA PRO A 17 6.195 -0.372 14.358 1.00 55.23 H new ATOM 0 HB2 PRO A 17 5.745 -2.829 15.573 1.00 73.43 H new ATOM 0 HB3 PRO A 17 4.553 -1.550 15.674 1.00 73.43 H new ATOM 0 HG2 PRO A 17 4.632 -3.921 13.818 1.00 31.53 H new ATOM 0 HG3 PRO A 17 3.266 -3.250 14.688 1.00 31.53 H new ATOM 0 HD2 PRO A 17 3.676 -2.720 12.048 1.00 20.42 H new ATOM 0 HD3 PRO A 17 2.927 -1.546 13.112 1.00 20.42 H new ATOM 258 N GLU A 18 8.314 -1.542 14.204 1.00 63.00 N ATOM 259 CA GLU A 18 9.632 -2.117 13.963 1.00 23.42 C ATOM 260 C GLU A 18 10.477 -2.094 15.234 1.00 35.42 C ATOM 261 O GLU A 18 10.638 -1.050 15.867 1.00 31.12 O ATOM 262 CB GLU A 18 10.350 -1.355 12.847 1.00 30.03 C ATOM 263 CG GLU A 18 11.520 -2.115 12.246 1.00 72.34 C ATOM 264 CD GLU A 18 11.343 -2.380 10.763 1.00 33.41 C ATOM 265 OE1 GLU A 18 10.949 -1.445 10.035 1.00 21.24 O ATOM 266 OE2 GLU A 18 11.598 -3.524 10.331 1.00 63.01 O ATOM 0 H GLU A 18 8.313 -0.734 14.827 1.00 63.00 H new ATOM 0 HA GLU A 18 9.496 -3.154 13.656 1.00 23.42 H new ATOM 0 HB2 GLU A 18 9.634 -1.124 12.058 1.00 30.03 H new ATOM 0 HB3 GLU A 18 10.709 -0.404 13.241 1.00 30.03 H new ATOM 0 HG2 GLU A 18 12.437 -1.547 12.403 1.00 72.34 H new ATOM 0 HG3 GLU A 18 11.640 -3.064 12.769 1.00 72.34 H new ATOM 273 N LEU A 19 11.012 -3.253 15.602 1.00 4.12 N ATOM 274 CA LEU A 19 11.840 -3.367 16.798 1.00 21.41 C ATOM 275 C LEU A 19 13.319 -3.440 16.432 1.00 40.41 C ATOM 276 O LEU A 19 13.686 -3.994 15.396 1.00 12.41 O ATOM 277 CB LEU A 19 11.441 -4.606 17.602 1.00 71.33 C ATOM 278 CG LEU A 19 11.462 -4.455 19.123 1.00 1.11 C ATOM 279 CD1 LEU A 19 12.888 -4.279 19.622 1.00 31.23 C ATOM 280 CD2 LEU A 19 10.596 -3.281 19.554 1.00 14.34 C ATOM 0 H LEU A 19 10.888 -4.126 15.090 1.00 4.12 H new ATOM 0 HA LEU A 19 11.679 -2.478 17.407 1.00 21.41 H new ATOM 0 HB2 LEU A 19 10.436 -4.902 17.300 1.00 71.33 H new ATOM 0 HB3 LEU A 19 12.109 -5.422 17.329 1.00 71.33 H new ATOM 0 HG LEU A 19 11.054 -5.364 19.565 1.00 1.11 H new ATOM 0 HD11 LEU A 19 12.883 -4.173 20.707 1.00 31.23 H new ATOM 0 HD12 LEU A 19 13.481 -5.151 19.345 1.00 31.23 H new ATOM 0 HD13 LEU A 19 13.323 -3.387 19.172 1.00 31.23 H new ATOM 0 HD21 LEU A 19 10.623 -3.188 20.640 1.00 14.34 H new ATOM 0 HD22 LEU A 19 10.975 -2.364 19.102 1.00 14.34 H new ATOM 0 HD23 LEU A 19 9.569 -3.448 19.229 1.00 14.34 H new ATOM 292 N ALA A 20 14.164 -2.878 17.290 1.00 11.31 N ATOM 293 CA ALA A 20 15.603 -2.882 17.059 1.00 21.12 C ATOM 294 C ALA A 20 16.370 -2.917 18.376 1.00 4.15 C ATOM 295 O ALA A 20 16.456 -1.913 19.083 1.00 3.43 O ATOM 296 CB ALA A 20 16.010 -1.666 16.241 1.00 1.50 C ATOM 0 H ALA A 20 13.877 -2.414 18.152 1.00 11.31 H new ATOM 0 HA ALA A 20 15.853 -3.783 16.499 1.00 21.12 H new ATOM 0 HB1 ALA A 20 17.087 -1.682 16.076 1.00 1.50 H new ATOM 0 HB2 ALA A 20 15.496 -1.685 15.280 1.00 1.50 H new ATOM 0 HB3 ALA A 20 15.739 -0.758 16.780 1.00 1.50 H new ATOM 302 N VAL A 21 16.927 -4.080 18.702 1.00 54.34 N ATOM 303 CA VAL A 21 17.687 -4.245 19.934 1.00 24.13 C ATOM 304 C VAL A 21 19.092 -3.669 19.795 1.00 51.32 C ATOM 305 O VAL A 21 19.751 -3.854 18.772 1.00 22.24 O ATOM 306 CB VAL A 21 17.791 -5.729 20.335 1.00 14.44 C ATOM 307 CG1 VAL A 21 18.727 -5.897 21.522 1.00 32.13 C ATOM 308 CG2 VAL A 21 16.413 -6.293 20.648 1.00 11.42 C ATOM 0 H VAL A 21 16.865 -4.922 18.129 1.00 54.34 H new ATOM 0 HA VAL A 21 17.150 -3.702 20.712 1.00 24.13 H new ATOM 0 HB VAL A 21 18.205 -6.287 19.495 1.00 14.44 H new ATOM 0 HG11 VAL A 21 18.788 -6.952 21.791 1.00 32.13 H new ATOM 0 HG12 VAL A 21 19.719 -5.532 21.257 1.00 32.13 H new ATOM 0 HG13 VAL A 21 18.345 -5.328 22.370 1.00 32.13 H new ATOM 0 HG21 VAL A 21 16.505 -7.342 20.929 1.00 11.42 H new ATOM 0 HG22 VAL A 21 15.969 -5.734 21.472 1.00 11.42 H new ATOM 0 HG23 VAL A 21 15.776 -6.208 19.767 1.00 11.42 H new ATOM 318 N ALA A 22 19.544 -2.969 20.830 1.00 11.03 N ATOM 319 CA ALA A 22 20.872 -2.367 20.825 1.00 74.45 C ATOM 320 C ALA A 22 21.692 -2.835 22.022 1.00 35.40 C ATOM 321 O ALA A 22 21.235 -3.660 22.815 1.00 45.34 O ATOM 322 CB ALA A 22 20.763 -0.850 20.817 1.00 3.33 C ATOM 0 H ALA A 22 19.010 -2.805 21.683 1.00 11.03 H new ATOM 0 HA ALA A 22 21.386 -2.688 19.919 1.00 74.45 H new ATOM 0 HB1 ALA A 22 21.762 -0.413 20.813 1.00 3.33 H new ATOM 0 HB2 ALA A 22 20.223 -0.529 19.926 1.00 3.33 H new ATOM 0 HB3 ALA A 22 20.226 -0.519 21.706 1.00 3.33 H new ATOM 328 N ASP A 23 22.903 -2.305 22.147 1.00 61.20 N ATOM 329 CA ASP A 23 23.787 -2.669 23.249 1.00 52.44 C ATOM 330 C ASP A 23 23.574 -1.744 24.443 1.00 23.24 C ATOM 331 O ASP A 23 23.950 -2.072 25.569 1.00 1.00 O ATOM 332 CB ASP A 23 25.247 -2.613 22.798 1.00 5.04 C ATOM 333 CG ASP A 23 26.120 -3.607 23.539 1.00 31.22 C ATOM 334 OD1 ASP A 23 25.743 -4.007 24.661 1.00 61.41 O ATOM 335 OD2 ASP A 23 27.179 -3.986 22.997 1.00 10.10 O ATOM 0 H ASP A 23 23.296 -1.622 21.499 1.00 61.20 H new ATOM 0 HA ASP A 23 23.548 -3.688 23.554 1.00 52.44 H new ATOM 0 HB2 ASP A 23 25.302 -2.813 21.728 1.00 5.04 H new ATOM 0 HB3 ASP A 23 25.634 -1.606 22.954 1.00 5.04 H new ATOM 340 N ASP A 24 22.971 -0.588 24.190 1.00 31.13 N ATOM 341 CA ASP A 24 22.708 0.384 25.245 1.00 43.20 C ATOM 342 C ASP A 24 21.208 0.564 25.458 1.00 64.45 C ATOM 343 O ASP A 24 20.771 1.528 26.083 1.00 12.14 O ATOM 344 CB ASP A 24 23.352 1.728 24.900 1.00 15.44 C ATOM 345 CG ASP A 24 24.838 1.607 24.630 1.00 23.52 C ATOM 346 OD1 ASP A 24 25.209 1.308 23.476 1.00 55.13 O ATOM 347 OD2 ASP A 24 25.632 1.809 25.574 1.00 73.45 O ATOM 0 H ASP A 24 22.655 -0.301 23.264 1.00 31.13 H new ATOM 0 HA ASP A 24 23.144 0.007 26.170 1.00 43.20 H new ATOM 0 HB2 ASP A 24 22.860 2.149 24.023 1.00 15.44 H new ATOM 0 HB3 ASP A 24 23.191 2.426 25.722 1.00 15.44 H new ATOM 352 N GLY A 25 20.425 -0.373 24.931 1.00 52.44 N ATOM 353 CA GLY A 25 18.982 -0.299 25.072 1.00 4.33 C ATOM 354 C GLY A 25 18.252 -0.837 23.858 1.00 22.10 C ATOM 355 O GLY A 25 18.853 -1.482 22.999 1.00 71.24 O ATOM 0 H GLY A 25 20.764 -1.181 24.409 1.00 52.44 H new ATOM 0 HA2 GLY A 25 18.677 -0.862 25.954 1.00 4.33 H new ATOM 0 HA3 GLY A 25 18.689 0.738 25.238 1.00 4.33 H new ATOM 359 N VAL A 26 16.951 -0.574 23.787 1.00 42.53 N ATOM 360 CA VAL A 26 16.138 -1.036 22.669 1.00 74.51 C ATOM 361 C VAL A 26 15.391 0.121 22.016 1.00 40.31 C ATOM 362 O VAL A 26 14.867 0.999 22.700 1.00 50.53 O ATOM 363 CB VAL A 26 15.119 -2.101 23.119 1.00 43.11 C ATOM 364 CG1 VAL A 26 14.342 -2.635 21.925 1.00 10.33 C ATOM 365 CG2 VAL A 26 15.821 -3.231 23.857 1.00 42.30 C ATOM 0 H VAL A 26 16.438 -0.043 24.491 1.00 42.53 H new ATOM 0 HA VAL A 26 16.821 -1.479 21.944 1.00 74.51 H new ATOM 0 HB VAL A 26 14.411 -1.635 23.804 1.00 43.11 H new ATOM 0 HG11 VAL A 26 13.627 -3.386 22.262 1.00 10.33 H new ATOM 0 HG12 VAL A 26 13.808 -1.816 21.443 1.00 10.33 H new ATOM 0 HG13 VAL A 26 15.033 -3.086 21.213 1.00 10.33 H new ATOM 0 HG21 VAL A 26 15.087 -3.974 24.168 1.00 42.30 H new ATOM 0 HG22 VAL A 26 16.552 -3.697 23.197 1.00 42.30 H new ATOM 0 HG23 VAL A 26 16.328 -2.832 24.736 1.00 42.30 H new ATOM 375 N ASN A 27 15.347 0.116 20.688 1.00 74.54 N ATOM 376 CA ASN A 27 14.664 1.166 19.941 1.00 11.01 C ATOM 377 C ASN A 27 13.521 0.589 19.111 1.00 64.21 C ATOM 378 O ASN A 27 13.690 -0.411 18.413 1.00 21.54 O ATOM 379 CB ASN A 27 15.652 1.898 19.030 1.00 31.23 C ATOM 380 CG ASN A 27 16.193 3.165 19.664 1.00 72.01 C ATOM 381 OD1 ASN A 27 15.458 4.131 19.872 1.00 61.33 O ATOM 382 ND2 ASN A 27 17.484 3.167 19.974 1.00 60.41 N ATOM 0 H ASN A 27 15.776 -0.604 20.107 1.00 74.54 H new ATOM 0 HA ASN A 27 14.247 1.874 20.657 1.00 11.01 H new ATOM 0 HB2 ASN A 27 16.481 1.233 18.789 1.00 31.23 H new ATOM 0 HB3 ASN A 27 15.159 2.147 18.090 1.00 31.23 H new ATOM 0 HD21 ASN A 27 17.904 3.992 20.403 1.00 60.41 H new ATOM 0 HD22 ASN A 27 18.055 2.344 19.784 1.00 60.41 H new ATOM 389 N VAL A 28 12.358 1.227 19.191 1.00 71.20 N ATOM 390 CA VAL A 28 11.187 0.778 18.446 1.00 4.52 C ATOM 391 C VAL A 28 10.540 1.934 17.692 1.00 43.35 C ATOM 392 O VAL A 28 10.242 2.978 18.272 1.00 52.21 O ATOM 393 CB VAL A 28 10.141 0.138 19.378 1.00 40.05 C ATOM 394 CG1 VAL A 28 9.654 1.146 20.407 1.00 53.43 C ATOM 395 CG2 VAL A 28 8.977 -0.416 18.569 1.00 24.24 C ATOM 0 H VAL A 28 12.201 2.056 19.764 1.00 71.20 H new ATOM 0 HA VAL A 28 11.533 0.030 17.732 1.00 4.52 H new ATOM 0 HB VAL A 28 10.611 -0.689 19.910 1.00 40.05 H new ATOM 0 HG11 VAL A 28 8.916 0.675 21.056 1.00 53.43 H new ATOM 0 HG12 VAL A 28 10.497 1.491 21.006 1.00 53.43 H new ATOM 0 HG13 VAL A 28 9.200 1.996 19.897 1.00 53.43 H new ATOM 0 HG21 VAL A 28 8.247 -0.865 19.242 1.00 24.24 H new ATOM 0 HG22 VAL A 28 8.506 0.392 18.009 1.00 24.24 H new ATOM 0 HG23 VAL A 28 9.344 -1.173 17.875 1.00 24.24 H new ATOM 405 N ARG A 29 10.326 1.740 16.394 1.00 12.54 N ATOM 406 CA ARG A 29 9.714 2.767 15.559 1.00 2.24 C ATOM 407 C ARG A 29 8.535 2.199 14.775 1.00 64.24 C ATOM 408 O ARG A 29 8.641 1.139 14.157 1.00 53.25 O ATOM 409 CB ARG A 29 10.747 3.353 14.595 1.00 5.13 C ATOM 410 CG ARG A 29 10.199 4.466 13.717 1.00 71.41 C ATOM 411 CD ARG A 29 9.742 3.935 12.367 1.00 52.31 C ATOM 412 NE ARG A 29 10.336 4.677 11.258 1.00 70.01 N ATOM 413 CZ ARG A 29 9.945 5.893 10.894 1.00 2.32 C ATOM 414 NH1 ARG A 29 8.966 6.502 11.549 1.00 73.14 N ATOM 415 NH2 ARG A 29 10.535 6.504 9.874 1.00 31.32 N ATOM 0 H ARG A 29 10.567 0.882 15.898 1.00 12.54 H new ATOM 0 HA ARG A 29 9.346 3.559 16.212 1.00 2.24 H new ATOM 0 HB2 ARG A 29 11.590 3.737 15.169 1.00 5.13 H new ATOM 0 HB3 ARG A 29 11.131 2.556 13.959 1.00 5.13 H new ATOM 0 HG2 ARG A 29 9.363 4.950 14.221 1.00 71.41 H new ATOM 0 HG3 ARG A 29 10.966 5.226 13.570 1.00 71.41 H new ATOM 0 HD2 ARG A 29 10.009 2.882 12.283 1.00 52.31 H new ATOM 0 HD3 ARG A 29 8.656 3.995 12.303 1.00 52.31 H new ATOM 0 HE ARG A 29 11.093 4.237 10.734 1.00 70.01 H new ATOM 0 HH11 ARG A 29 8.511 6.037 12.335 1.00 73.14 H new ATOM 0 HH12 ARG A 29 8.668 7.436 11.267 1.00 73.14 H new ATOM 0 HH21 ARG A 29 11.290 6.040 9.369 1.00 31.32 H new ATOM 0 HH22 ARG A 29 10.234 7.438 9.595 1.00 31.32 H new ATOM 429 N PHE A 30 7.413 2.910 14.804 1.00 3.14 N ATOM 430 CA PHE A 30 6.214 2.476 14.097 1.00 0.14 C ATOM 431 C PHE A 30 5.731 3.555 13.133 1.00 51.22 C ATOM 432 O PHE A 30 5.485 4.694 13.531 1.00 62.10 O ATOM 433 CB PHE A 30 5.105 2.133 15.094 1.00 12.30 C ATOM 434 CG PHE A 30 5.377 2.626 16.487 1.00 71.33 C ATOM 435 CD1 PHE A 30 6.206 1.913 17.338 1.00 71.00 C ATOM 436 CD2 PHE A 30 4.804 3.801 16.944 1.00 3.43 C ATOM 437 CE1 PHE A 30 6.457 2.364 18.620 1.00 23.52 C ATOM 438 CE2 PHE A 30 5.052 4.257 18.225 1.00 4.24 C ATOM 439 CZ PHE A 30 5.881 3.538 19.064 1.00 32.30 C ATOM 0 H PHE A 30 7.309 3.790 15.310 1.00 3.14 H new ATOM 0 HA PHE A 30 6.464 1.585 13.521 1.00 0.14 H new ATOM 0 HB2 PHE A 30 4.166 2.561 14.743 1.00 12.30 H new ATOM 0 HB3 PHE A 30 4.972 1.051 15.119 1.00 12.30 H new ATOM 0 HD1 PHE A 30 6.661 0.995 16.996 1.00 71.00 H new ATOM 0 HD2 PHE A 30 4.156 4.368 16.292 1.00 3.43 H new ATOM 0 HE1 PHE A 30 7.104 1.798 19.275 1.00 23.52 H new ATOM 0 HE2 PHE A 30 4.598 5.174 18.570 1.00 4.24 H new ATOM 0 HZ PHE A 30 6.078 3.893 20.065 1.00 32.30 H new ATOM 449 N ARG A 31 5.598 3.188 11.862 1.00 14.15 N ATOM 450 CA ARG A 31 5.146 4.124 10.840 1.00 10.21 C ATOM 451 C ARG A 31 3.623 4.134 10.746 1.00 20.32 C ATOM 452 O ARG A 31 3.007 3.127 10.394 1.00 51.55 O ATOM 453 CB ARG A 31 5.749 3.760 9.482 1.00 20.53 C ATOM 454 CG ARG A 31 7.247 3.505 9.530 1.00 73.43 C ATOM 455 CD ARG A 31 7.597 2.137 8.965 1.00 61.12 C ATOM 456 NE ARG A 31 8.805 2.176 8.146 1.00 44.34 N ATOM 457 CZ ARG A 31 10.035 2.127 8.646 1.00 32.14 C ATOM 458 NH1 ARG A 31 10.217 2.036 9.956 1.00 4.25 N ATOM 459 NH2 ARG A 31 11.085 2.168 7.836 1.00 33.40 N ATOM 0 H ARG A 31 5.797 2.249 11.516 1.00 14.15 H new ATOM 0 HA ARG A 31 5.482 5.122 11.123 1.00 10.21 H new ATOM 0 HB2 ARG A 31 5.250 2.870 9.099 1.00 20.53 H new ATOM 0 HB3 ARG A 31 5.549 4.567 8.777 1.00 20.53 H new ATOM 0 HG2 ARG A 31 7.767 4.278 8.964 1.00 73.43 H new ATOM 0 HG3 ARG A 31 7.596 3.575 10.560 1.00 73.43 H new ATOM 0 HD2 ARG A 31 7.737 1.432 9.784 1.00 61.12 H new ATOM 0 HD3 ARG A 31 6.764 1.768 8.366 1.00 61.12 H new ATOM 0 HE ARG A 31 8.699 2.245 7.134 1.00 44.34 H new ATOM 0 HH11 ARG A 31 9.412 2.003 10.582 1.00 4.25 H new ATOM 0 HH12 ARG A 31 11.162 1.998 10.338 1.00 4.25 H new ATOM 0 HH21 ARG A 31 10.949 2.237 6.828 1.00 33.40 H new ATOM 0 HH22 ARG A 31 12.028 2.130 8.222 1.00 33.40 H new ATOM 473 N ILE A 32 3.023 5.276 11.065 1.00 71.44 N ATOM 474 CA ILE A 32 1.573 5.415 11.016 1.00 51.55 C ATOM 475 C ILE A 32 1.127 6.062 9.708 1.00 32.43 C ATOM 476 O ILE A 32 1.824 6.911 9.154 1.00 23.51 O ATOM 477 CB ILE A 32 1.048 6.255 12.195 1.00 1.03 C ATOM 478 CG1 ILE A 32 1.348 5.554 13.522 1.00 43.02 C ATOM 479 CG2 ILE A 32 -0.446 6.502 12.047 1.00 62.25 C ATOM 480 CD1 ILE A 32 1.885 6.483 14.588 1.00 20.12 C ATOM 0 H ILE A 32 3.518 6.118 11.360 1.00 71.44 H new ATOM 0 HA ILE A 32 1.157 4.410 11.083 1.00 51.55 H new ATOM 0 HB ILE A 32 1.558 7.218 12.190 1.00 1.03 H new ATOM 0 HG12 ILE A 32 0.436 5.082 13.888 1.00 43.02 H new ATOM 0 HG13 ILE A 32 2.071 4.758 13.348 1.00 43.02 H new ATOM 0 HG21 ILE A 32 -0.802 7.097 12.888 1.00 62.25 H new ATOM 0 HG22 ILE A 32 -0.636 7.038 11.117 1.00 62.25 H new ATOM 0 HG23 ILE A 32 -0.973 5.548 12.029 1.00 62.25 H new ATOM 0 HD11 ILE A 32 2.075 5.918 15.501 1.00 20.12 H new ATOM 0 HD12 ILE A 32 2.814 6.936 14.242 1.00 20.12 H new ATOM 0 HD13 ILE A 32 1.154 7.265 14.791 1.00 20.12 H new ATOM 492 N ALA A 33 -0.041 5.655 9.222 1.00 71.42 N ATOM 493 CA ALA A 33 -0.583 6.196 7.982 1.00 44.53 C ATOM 494 C ALA A 33 -0.885 7.685 8.119 1.00 70.22 C ATOM 495 O ALA A 33 -1.227 8.161 9.201 1.00 5.44 O ATOM 496 CB ALA A 33 -1.837 5.436 7.577 1.00 41.21 C ATOM 0 H ALA A 33 -0.630 4.952 9.668 1.00 71.42 H new ATOM 0 HA ALA A 33 0.169 6.074 7.202 1.00 44.53 H new ATOM 0 HB1 ALA A 33 -2.230 5.851 6.649 1.00 41.21 H new ATOM 0 HB2 ALA A 33 -1.593 4.384 7.429 1.00 41.21 H new ATOM 0 HB3 ALA A 33 -2.587 5.527 8.362 1.00 41.21 H new ATOM 502 N ASP A 34 -0.757 8.414 7.016 1.00 63.22 N ATOM 503 CA ASP A 34 -1.017 9.849 7.013 1.00 63.30 C ATOM 504 C ASP A 34 -2.466 10.139 7.390 1.00 51.02 C ATOM 505 O ASP A 34 -2.814 11.267 7.737 1.00 60.11 O ATOM 506 CB ASP A 34 -0.705 10.442 5.638 1.00 14.42 C ATOM 507 CG ASP A 34 -0.267 11.891 5.719 1.00 12.41 C ATOM 508 OD1 ASP A 34 -0.812 12.630 6.566 1.00 53.20 O ATOM 509 OD2 ASP A 34 0.622 12.287 4.936 1.00 34.42 O ATOM 0 H ASP A 34 -0.475 8.035 6.112 1.00 63.22 H new ATOM 0 HA ASP A 34 -0.368 10.313 7.756 1.00 63.30 H new ATOM 0 HB2 ASP A 34 0.080 9.854 5.162 1.00 14.42 H new ATOM 0 HB3 ASP A 34 -1.589 10.367 5.004 1.00 14.42 H new ATOM 514 N GLY A 35 -3.308 9.113 7.318 1.00 73.53 N ATOM 515 CA GLY A 35 -4.710 9.278 7.653 1.00 55.41 C ATOM 516 C GLY A 35 -5.016 8.876 9.082 1.00 15.40 C ATOM 517 O GLY A 35 -6.179 8.832 9.487 1.00 45.14 O ATOM 0 H GLY A 35 -3.044 8.170 7.033 1.00 73.53 H new ATOM 0 HA2 GLY A 35 -4.996 10.319 7.502 1.00 55.41 H new ATOM 0 HA3 GLY A 35 -5.316 8.679 6.973 1.00 55.41 H new ATOM 521 N TYR A 36 -3.972 8.581 9.848 1.00 33.01 N ATOM 522 CA TYR A 36 -4.135 8.176 11.239 1.00 13.24 C ATOM 523 C TYR A 36 -3.208 8.974 12.151 1.00 24.30 C ATOM 524 O TYR A 36 -2.224 9.559 11.696 1.00 15.15 O ATOM 525 CB TYR A 36 -3.857 6.680 11.393 1.00 32.01 C ATOM 526 CG TYR A 36 -5.004 5.802 10.946 1.00 61.20 C ATOM 527 CD1 TYR A 36 -6.282 5.978 11.462 1.00 1.51 C ATOM 528 CD2 TYR A 36 -4.810 4.795 10.008 1.00 4.15 C ATOM 529 CE1 TYR A 36 -7.333 5.178 11.057 1.00 3.22 C ATOM 530 CE2 TYR A 36 -5.855 3.991 9.597 1.00 43.13 C ATOM 531 CZ TYR A 36 -7.114 4.186 10.124 1.00 12.30 C ATOM 532 OH TYR A 36 -8.158 3.387 9.717 1.00 24.44 O ATOM 0 H TYR A 36 -3.004 8.615 9.529 1.00 33.01 H new ATOM 0 HA TYR A 36 -5.165 8.379 11.531 1.00 13.24 H new ATOM 0 HB2 TYR A 36 -2.968 6.423 10.817 1.00 32.01 H new ATOM 0 HB3 TYR A 36 -3.633 6.466 12.438 1.00 32.01 H new ATOM 0 HD1 TYR A 36 -6.457 6.754 12.193 1.00 1.51 H new ATOM 0 HD2 TYR A 36 -3.825 4.639 9.593 1.00 4.15 H new ATOM 0 HE1 TYR A 36 -8.320 5.328 11.468 1.00 3.22 H new ATOM 0 HE2 TYR A 36 -5.687 3.213 8.867 1.00 43.13 H new ATOM 0 HH TYR A 36 -7.894 2.885 8.918 1.00 24.44 H new ATOM 542 N TYR A 37 -3.528 8.991 13.440 1.00 4.01 N ATOM 543 CA TYR A 37 -2.725 9.717 14.417 1.00 12.40 C ATOM 544 C TYR A 37 -2.920 9.144 15.817 1.00 34.41 C ATOM 545 O TYR A 37 -4.047 8.895 16.246 1.00 25.24 O ATOM 546 CB TYR A 37 -3.092 11.202 14.407 1.00 50.34 C ATOM 547 CG TYR A 37 -4.501 11.481 14.879 1.00 51.32 C ATOM 548 CD1 TYR A 37 -4.774 11.693 16.225 1.00 74.33 C ATOM 549 CD2 TYR A 37 -5.559 11.532 13.980 1.00 50.43 C ATOM 550 CE1 TYR A 37 -6.060 11.947 16.661 1.00 53.20 C ATOM 551 CE2 TYR A 37 -6.848 11.788 14.407 1.00 63.32 C ATOM 552 CZ TYR A 37 -7.093 11.994 15.748 1.00 13.22 C ATOM 553 OH TYR A 37 -8.376 12.247 16.178 1.00 41.42 O ATOM 0 H TYR A 37 -4.338 8.511 13.833 1.00 4.01 H new ATOM 0 HA TYR A 37 -1.676 9.606 14.141 1.00 12.40 H new ATOM 0 HB2 TYR A 37 -2.391 11.745 15.041 1.00 50.34 H new ATOM 0 HB3 TYR A 37 -2.973 11.590 13.395 1.00 50.34 H new ATOM 0 HD1 TYR A 37 -3.967 11.659 16.942 1.00 74.33 H new ATOM 0 HD2 TYR A 37 -5.371 11.369 12.929 1.00 50.43 H new ATOM 0 HE1 TYR A 37 -6.256 12.108 17.711 1.00 53.20 H new ATOM 0 HE2 TYR A 37 -7.659 11.826 13.694 1.00 63.32 H new ATOM 0 HH TYR A 37 -8.984 12.247 15.410 1.00 41.42 H new ATOM 563 N MET A 38 -1.814 8.937 16.524 1.00 33.12 N ATOM 564 CA MET A 38 -1.863 8.394 17.877 1.00 43.30 C ATOM 565 C MET A 38 -1.372 9.421 18.893 1.00 54.44 C ATOM 566 O MET A 38 -0.494 10.231 18.596 1.00 43.30 O ATOM 567 CB MET A 38 -1.016 7.123 17.970 1.00 13.32 C ATOM 568 CG MET A 38 -1.671 5.909 17.331 1.00 3.22 C ATOM 569 SD MET A 38 -0.485 4.846 16.486 1.00 72.41 S ATOM 570 CE MET A 38 0.900 4.914 17.620 1.00 52.35 C ATOM 0 H MET A 38 -0.874 9.137 16.183 1.00 33.12 H new ATOM 0 HA MET A 38 -2.900 8.149 18.106 1.00 43.30 H new ATOM 0 HB2 MET A 38 -0.054 7.301 17.490 1.00 13.32 H new ATOM 0 HB3 MET A 38 -0.814 6.907 19.019 1.00 13.32 H new ATOM 0 HG2 MET A 38 -2.187 5.333 18.099 1.00 3.22 H new ATOM 0 HG3 MET A 38 -2.427 6.241 16.620 1.00 3.22 H new ATOM 0 HE1 MET A 38 1.636 4.159 17.342 1.00 52.35 H new ATOM 0 HE2 MET A 38 1.359 5.902 17.575 1.00 52.35 H new ATOM 0 HE3 MET A 38 0.550 4.722 18.634 1.00 52.35 H new ATOM 580 N TYR A 39 -1.946 9.383 20.090 1.00 25.53 N ATOM 581 CA TYR A 39 -1.568 10.312 21.149 1.00 73.24 C ATOM 582 C TYR A 39 -0.335 9.815 21.896 1.00 21.42 C ATOM 583 O TYR A 39 -0.256 8.647 22.277 1.00 12.02 O ATOM 584 CB TYR A 39 -2.729 10.502 22.127 1.00 41.14 C ATOM 585 CG TYR A 39 -4.076 10.624 21.451 1.00 32.22 C ATOM 586 CD1 TYR A 39 -4.473 11.816 20.859 1.00 54.21 C ATOM 587 CD2 TYR A 39 -4.952 9.546 21.404 1.00 24.35 C ATOM 588 CE1 TYR A 39 -5.704 11.932 20.241 1.00 23.15 C ATOM 589 CE2 TYR A 39 -6.183 9.652 20.788 1.00 73.11 C ATOM 590 CZ TYR A 39 -6.555 10.847 20.208 1.00 1.13 C ATOM 591 OH TYR A 39 -7.781 10.958 19.593 1.00 62.00 O ATOM 0 H TYR A 39 -2.675 8.719 20.352 1.00 25.53 H new ATOM 0 HA TYR A 39 -1.329 11.270 20.688 1.00 73.24 H new ATOM 0 HB2 TYR A 39 -2.753 9.659 22.817 1.00 41.14 H new ATOM 0 HB3 TYR A 39 -2.548 11.397 22.723 1.00 41.14 H new ATOM 0 HD1 TYR A 39 -3.808 12.667 20.882 1.00 54.21 H new ATOM 0 HD2 TYR A 39 -4.665 8.609 21.857 1.00 24.35 H new ATOM 0 HE1 TYR A 39 -5.998 12.867 19.787 1.00 23.15 H new ATOM 0 HE2 TYR A 39 -6.851 8.804 20.760 1.00 73.11 H new ATOM 0 HH TYR A 39 -8.257 10.104 19.657 1.00 62.00 H new ATOM 601 N GLN A 40 0.625 10.710 22.102 1.00 2.32 N ATOM 602 CA GLN A 40 1.855 10.363 22.804 1.00 2.31 C ATOM 603 C GLN A 40 1.550 9.649 24.117 1.00 41.41 C ATOM 604 O GLN A 40 2.153 8.624 24.432 1.00 44.31 O ATOM 605 CB GLN A 40 2.685 11.620 23.074 1.00 62.51 C ATOM 606 CG GLN A 40 3.997 11.340 23.790 1.00 52.12 C ATOM 607 CD GLN A 40 3.872 11.440 25.297 1.00 13.13 C ATOM 608 OE1 GLN A 40 3.700 10.434 25.986 1.00 64.33 O ATOM 609 NE2 GLN A 40 3.957 12.658 25.819 1.00 0.21 N ATOM 0 H GLN A 40 0.575 11.681 21.793 1.00 2.32 H new ATOM 0 HA GLN A 40 2.428 9.687 22.169 1.00 2.31 H new ATOM 0 HB2 GLN A 40 2.896 12.116 22.127 1.00 62.51 H new ATOM 0 HB3 GLN A 40 2.095 12.314 23.673 1.00 62.51 H new ATOM 0 HG2 GLN A 40 4.346 10.342 23.524 1.00 52.12 H new ATOM 0 HG3 GLN A 40 4.753 12.045 23.444 1.00 52.12 H new ATOM 0 HE21 GLN A 40 4.100 13.465 25.211 1.00 0.21 H new ATOM 0 HE22 GLN A 40 3.879 12.787 26.828 1.00 0.21 H new ATOM 618 N ALA A 41 0.610 10.199 24.879 1.00 71.22 N ATOM 619 CA ALA A 41 0.224 9.614 26.157 1.00 73.43 C ATOM 620 C ALA A 41 -0.337 8.208 25.970 1.00 64.22 C ATOM 621 O ALA A 41 -0.207 7.355 26.848 1.00 34.40 O ATOM 622 CB ALA A 41 -0.795 10.501 26.857 1.00 24.12 C ATOM 0 H ALA A 41 0.102 11.049 24.633 1.00 71.22 H new ATOM 0 HA ALA A 41 1.116 9.542 26.780 1.00 73.43 H new ATOM 0 HB1 ALA A 41 -1.074 10.052 27.810 1.00 24.12 H new ATOM 0 HB2 ALA A 41 -0.361 11.485 27.033 1.00 24.12 H new ATOM 0 HB3 ALA A 41 -1.681 10.602 26.230 1.00 24.12 H new ATOM 628 N LYS A 42 -0.960 7.972 24.820 1.00 12.53 N ATOM 629 CA LYS A 42 -1.540 6.670 24.517 1.00 75.31 C ATOM 630 C LYS A 42 -0.455 5.662 24.153 1.00 62.02 C ATOM 631 O LYS A 42 -0.617 4.459 24.361 1.00 43.21 O ATOM 632 CB LYS A 42 -2.545 6.791 23.368 1.00 24.24 C ATOM 633 CG LYS A 42 -3.993 6.812 23.826 1.00 23.52 C ATOM 634 CD LYS A 42 -4.373 5.520 24.531 1.00 54.23 C ATOM 635 CE LYS A 42 -4.553 5.733 26.026 1.00 24.01 C ATOM 636 NZ LYS A 42 -4.283 4.489 26.800 1.00 54.35 N ATOM 0 H LYS A 42 -1.076 8.667 24.082 1.00 12.53 H new ATOM 0 HA LYS A 42 -2.057 6.315 25.408 1.00 75.31 H new ATOM 0 HB2 LYS A 42 -2.336 7.703 22.809 1.00 24.24 H new ATOM 0 HB3 LYS A 42 -2.402 5.956 22.682 1.00 24.24 H new ATOM 0 HG2 LYS A 42 -4.151 7.655 24.499 1.00 23.52 H new ATOM 0 HG3 LYS A 42 -4.646 6.964 22.966 1.00 23.52 H new ATOM 0 HD2 LYS A 42 -5.297 5.130 24.104 1.00 54.23 H new ATOM 0 HD3 LYS A 42 -3.601 4.770 24.360 1.00 54.23 H new ATOM 0 HE2 LYS A 42 -3.883 6.523 26.364 1.00 24.01 H new ATOM 0 HE3 LYS A 42 -5.570 6.071 26.225 1.00 24.01 H new ATOM 0 HZ1 LYS A 42 -4.416 4.675 27.814 1.00 54.35 H new ATOM 0 HZ2 LYS A 42 -4.939 3.742 26.496 1.00 54.35 H new ATOM 0 HZ3 LYS A 42 -3.304 4.180 26.631 1.00 54.35 H new ATOM 650 N ILE A 43 0.651 6.161 23.610 1.00 31.53 N ATOM 651 CA ILE A 43 1.763 5.303 23.220 1.00 5.35 C ATOM 652 C ILE A 43 2.426 4.674 24.441 1.00 64.10 C ATOM 653 O ILE A 43 2.655 5.341 25.450 1.00 41.20 O ATOM 654 CB ILE A 43 2.823 6.085 22.421 1.00 73.44 C ATOM 655 CG1 ILE A 43 2.149 6.974 21.374 1.00 41.23 C ATOM 656 CG2 ILE A 43 3.800 5.125 21.759 1.00 44.25 C ATOM 657 CD1 ILE A 43 1.003 6.298 20.654 1.00 42.43 C ATOM 0 H ILE A 43 0.800 7.154 23.430 1.00 31.53 H new ATOM 0 HA ILE A 43 1.349 4.517 22.588 1.00 5.35 H new ATOM 0 HB ILE A 43 3.379 6.723 23.108 1.00 73.44 H new ATOM 0 HG12 ILE A 43 1.780 7.877 21.860 1.00 41.23 H new ATOM 0 HG13 ILE A 43 2.893 7.287 20.642 1.00 41.23 H new ATOM 0 HG21 ILE A 43 4.543 5.692 21.198 1.00 44.25 H new ATOM 0 HG22 ILE A 43 4.299 4.529 22.523 1.00 44.25 H new ATOM 0 HG23 ILE A 43 3.259 4.465 21.081 1.00 44.25 H new ATOM 0 HD11 ILE A 43 0.573 6.987 19.927 1.00 42.43 H new ATOM 0 HD12 ILE A 43 1.370 5.410 20.139 1.00 42.43 H new ATOM 0 HD13 ILE A 43 0.239 6.009 21.376 1.00 42.43 H new ATOM 669 N VAL A 44 2.735 3.385 24.341 1.00 34.34 N ATOM 670 CA VAL A 44 3.375 2.665 25.436 1.00 74.11 C ATOM 671 C VAL A 44 4.419 1.685 24.913 1.00 42.30 C ATOM 672 O VAL A 44 4.229 1.054 23.874 1.00 14.13 O ATOM 673 CB VAL A 44 2.342 1.895 26.281 1.00 63.12 C ATOM 674 CG1 VAL A 44 2.757 0.440 26.435 1.00 30.40 C ATOM 675 CG2 VAL A 44 2.168 2.555 27.640 1.00 0.21 C ATOM 0 H VAL A 44 2.553 2.818 23.513 1.00 34.34 H new ATOM 0 HA VAL A 44 3.863 3.411 26.063 1.00 74.11 H new ATOM 0 HB VAL A 44 1.383 1.922 25.764 1.00 63.12 H new ATOM 0 HG11 VAL A 44 2.016 -0.088 27.035 1.00 30.40 H new ATOM 0 HG12 VAL A 44 2.826 -0.025 25.451 1.00 30.40 H new ATOM 0 HG13 VAL A 44 3.727 0.389 26.930 1.00 30.40 H new ATOM 0 HG21 VAL A 44 1.435 1.998 28.224 1.00 0.21 H new ATOM 0 HG22 VAL A 44 3.122 2.561 28.167 1.00 0.21 H new ATOM 0 HG23 VAL A 44 1.822 3.580 27.505 1.00 0.21 H new ATOM 685 N GLY A 45 5.525 1.563 25.641 1.00 20.11 N ATOM 686 CA GLY A 45 6.584 0.658 25.235 1.00 22.21 C ATOM 687 C GLY A 45 7.589 0.408 26.342 1.00 62.31 C ATOM 688 O GLY A 45 8.286 1.325 26.778 1.00 75.31 O ATOM 0 H GLY A 45 5.706 2.075 26.505 1.00 20.11 H new ATOM 0 HA2 GLY A 45 6.147 -0.291 24.924 1.00 22.21 H new ATOM 0 HA3 GLY A 45 7.099 1.072 24.368 1.00 22.21 H new ATOM 692 N LYS A 46 7.665 -0.837 26.800 1.00 72.30 N ATOM 693 CA LYS A 46 8.591 -1.207 27.863 1.00 3.14 C ATOM 694 C LYS A 46 9.249 -2.551 27.569 1.00 64.11 C ATOM 695 O LYS A 46 8.619 -3.457 27.022 1.00 12.14 O ATOM 696 CB LYS A 46 7.860 -1.268 29.206 1.00 22.34 C ATOM 697 CG LYS A 46 7.026 -2.524 29.388 1.00 74.43 C ATOM 698 CD LYS A 46 7.646 -3.464 30.408 1.00 0.33 C ATOM 699 CE LYS A 46 8.407 -4.595 29.734 1.00 32.22 C ATOM 700 NZ LYS A 46 8.426 -5.827 30.571 1.00 2.54 N ATOM 0 H LYS A 46 7.095 -1.608 26.451 1.00 72.30 H new ATOM 0 HA LYS A 46 9.369 -0.445 27.914 1.00 3.14 H new ATOM 0 HB2 LYS A 46 8.592 -1.208 30.012 1.00 22.34 H new ATOM 0 HB3 LYS A 46 7.213 -0.396 29.298 1.00 22.34 H new ATOM 0 HG2 LYS A 46 6.021 -2.251 29.708 1.00 74.43 H new ATOM 0 HG3 LYS A 46 6.927 -3.038 28.432 1.00 74.43 H new ATOM 0 HD2 LYS A 46 8.321 -2.905 31.056 1.00 0.33 H new ATOM 0 HD3 LYS A 46 6.864 -3.879 31.044 1.00 0.33 H new ATOM 0 HE2 LYS A 46 7.948 -4.818 28.771 1.00 32.22 H new ATOM 0 HE3 LYS A 46 9.430 -4.276 29.534 1.00 32.22 H new ATOM 0 HZ1 LYS A 46 8.754 -6.631 29.998 1.00 2.54 H new ATOM 0 HZ2 LYS A 46 9.070 -5.690 31.376 1.00 2.54 H new ATOM 0 HZ3 LYS A 46 7.467 -6.022 30.924 1.00 2.54 H new ATOM 714 N THR A 47 10.521 -2.675 27.936 1.00 62.43 N ATOM 715 CA THR A 47 11.264 -3.909 27.711 1.00 3.12 C ATOM 716 C THR A 47 12.186 -4.217 28.886 1.00 74.31 C ATOM 717 O THR A 47 13.067 -3.426 29.220 1.00 34.41 O ATOM 718 CB THR A 47 12.103 -3.832 26.422 1.00 64.43 C ATOM 719 OG1 THR A 47 12.866 -5.034 26.262 1.00 42.33 O ATOM 720 CG2 THR A 47 13.038 -2.633 26.455 1.00 42.33 C ATOM 0 H THR A 47 11.058 -1.936 28.390 1.00 62.43 H new ATOM 0 HA THR A 47 10.529 -4.707 27.610 1.00 3.12 H new ATOM 0 HB THR A 47 11.422 -3.718 25.578 1.00 64.43 H new ATOM 0 HG1 THR A 47 13.396 -4.978 25.440 1.00 42.33 H new ATOM 0 HG21 THR A 47 13.620 -2.600 25.534 1.00 42.33 H new ATOM 0 HG22 THR A 47 12.453 -1.718 26.548 1.00 42.33 H new ATOM 0 HG23 THR A 47 13.712 -2.721 27.307 1.00 42.33 H new ATOM 728 N ASN A 48 11.976 -5.373 29.509 1.00 43.34 N ATOM 729 CA ASN A 48 12.789 -5.786 30.647 1.00 40.40 C ATOM 730 C ASN A 48 12.347 -7.151 31.164 1.00 63.31 C ATOM 731 O ASN A 48 11.235 -7.611 30.904 1.00 10.14 O ATOM 732 CB ASN A 48 12.697 -4.749 31.769 1.00 60.14 C ATOM 733 CG ASN A 48 11.307 -4.156 31.895 1.00 41.31 C ATOM 734 OD1 ASN A 48 10.422 -4.746 32.514 1.00 72.32 O ATOM 735 ND2 ASN A 48 11.110 -2.982 31.307 1.00 54.34 N ATOM 0 H ASN A 48 11.250 -6.039 29.245 1.00 43.34 H new ATOM 0 HA ASN A 48 13.824 -5.861 30.314 1.00 40.40 H new ATOM 0 HB2 ASN A 48 12.978 -5.214 32.714 1.00 60.14 H new ATOM 0 HB3 ASN A 48 13.414 -3.950 31.581 1.00 60.14 H new ATOM 0 HD21 ASN A 48 10.196 -2.533 31.358 1.00 54.34 H new ATOM 0 HD22 ASN A 48 11.873 -2.529 30.804 1.00 54.34 H new ATOM 742 N PRO A 49 13.238 -7.817 31.914 1.00 2.51 N ATOM 743 CA PRO A 49 12.963 -9.139 32.484 1.00 13.44 C ATOM 744 C PRO A 49 11.920 -9.085 33.596 1.00 42.41 C ATOM 745 O PRO A 49 11.414 -10.117 34.036 1.00 41.54 O ATOM 746 CB PRO A 49 14.319 -9.573 33.044 1.00 24.05 C ATOM 747 CG PRO A 49 15.042 -8.299 33.317 1.00 63.21 C ATOM 748 CD PRO A 49 14.583 -7.329 32.264 1.00 60.02 C ATOM 0 HA PRO A 49 12.553 -9.825 31.743 1.00 13.44 H new ATOM 0 HB2 PRO A 49 14.201 -10.164 33.952 1.00 24.05 H new ATOM 0 HB3 PRO A 49 14.863 -10.191 32.330 1.00 24.05 H new ATOM 0 HG2 PRO A 49 14.814 -7.927 34.316 1.00 63.21 H new ATOM 0 HG3 PRO A 49 16.121 -8.445 33.270 1.00 63.21 H new ATOM 0 HD2 PRO A 49 14.554 -6.308 32.644 1.00 60.02 H new ATOM 0 HD3 PRO A 49 15.248 -7.329 31.400 1.00 60.02 H new ATOM 756 N ALA A 50 11.603 -7.875 34.046 1.00 44.24 N ATOM 757 CA ALA A 50 10.619 -7.687 35.104 1.00 1.20 C ATOM 758 C ALA A 50 10.398 -6.206 35.391 1.00 11.42 C ATOM 759 O ALA A 50 9.261 -5.737 35.443 1.00 13.42 O ATOM 760 CB ALA A 50 11.058 -8.412 36.368 1.00 50.42 C ATOM 0 H ALA A 50 12.014 -7.010 33.694 1.00 44.24 H new ATOM 0 HA ALA A 50 9.673 -8.110 34.766 1.00 1.20 H new ATOM 0 HB1 ALA A 50 10.314 -8.263 37.150 1.00 50.42 H new ATOM 0 HB2 ALA A 50 11.158 -9.477 36.160 1.00 50.42 H new ATOM 0 HB3 ALA A 50 12.018 -8.016 36.700 1.00 50.42 H new ATOM 766 N ASP A 51 11.491 -5.474 35.578 1.00 61.34 N ATOM 767 CA ASP A 51 11.416 -4.045 35.859 1.00 23.44 C ATOM 768 C ASP A 51 12.805 -3.468 36.113 1.00 24.24 C ATOM 769 O ASP A 51 13.039 -2.808 37.127 1.00 64.50 O ATOM 770 CB ASP A 51 10.515 -3.789 37.068 1.00 11.21 C ATOM 771 CG ASP A 51 9.153 -3.253 36.672 1.00 44.14 C ATOM 772 OD1 ASP A 51 9.104 -2.242 35.940 1.00 61.43 O ATOM 773 OD2 ASP A 51 8.137 -3.843 37.094 1.00 71.42 O ATOM 0 H ASP A 51 12.440 -5.847 35.540 1.00 61.34 H new ATOM 0 HA ASP A 51 10.990 -3.549 34.987 1.00 23.44 H new ATOM 0 HB2 ASP A 51 10.389 -4.717 37.626 1.00 11.21 H new ATOM 0 HB3 ASP A 51 11.002 -3.078 37.736 1.00 11.21 H new ATOM 778 N LEU A 52 13.724 -3.721 35.188 1.00 71.52 N ATOM 779 CA LEU A 52 15.091 -3.228 35.311 1.00 1.14 C ATOM 780 C LEU A 52 15.302 -1.986 34.451 1.00 34.01 C ATOM 781 O LEU A 52 16.001 -1.053 34.849 1.00 34.10 O ATOM 782 CB LEU A 52 16.086 -4.317 34.907 1.00 70.12 C ATOM 783 CG LEU A 52 16.450 -5.331 35.992 1.00 11.44 C ATOM 784 CD1 LEU A 52 17.303 -6.449 35.414 1.00 0.12 C ATOM 785 CD2 LEU A 52 17.174 -4.644 37.141 1.00 21.44 C ATOM 0 H LEU A 52 13.547 -4.265 34.344 1.00 71.52 H new ATOM 0 HA LEU A 52 15.261 -2.959 36.353 1.00 1.14 H new ATOM 0 HB2 LEU A 52 15.675 -4.859 34.055 1.00 70.12 H new ATOM 0 HB3 LEU A 52 17.002 -3.835 34.566 1.00 70.12 H new ATOM 0 HG LEU A 52 15.529 -5.768 36.378 1.00 11.44 H new ATOM 0 HD11 LEU A 52 17.552 -7.161 36.201 1.00 0.12 H new ATOM 0 HD12 LEU A 52 16.749 -6.959 34.626 1.00 0.12 H new ATOM 0 HD13 LEU A 52 18.220 -6.030 35.000 1.00 0.12 H new ATOM 0 HD21 LEU A 52 17.426 -5.380 37.904 1.00 21.44 H new ATOM 0 HD22 LEU A 52 18.087 -4.179 36.770 1.00 21.44 H new ATOM 0 HD23 LEU A 52 16.528 -3.880 37.573 1.00 21.44 H new ATOM 797 N LEU A 53 14.691 -1.980 33.271 1.00 1.33 N ATOM 798 CA LEU A 53 14.809 -0.851 32.355 1.00 43.13 C ATOM 799 C LEU A 53 14.522 0.465 33.071 1.00 24.32 C ATOM 800 O LEU A 53 13.715 0.516 33.998 1.00 75.54 O ATOM 801 CB LEU A 53 13.849 -1.023 31.176 1.00 4.12 C ATOM 802 CG LEU A 53 13.883 0.079 30.117 1.00 64.04 C ATOM 803 CD1 LEU A 53 14.701 -0.363 28.913 1.00 61.01 C ATOM 804 CD2 LEU A 53 12.471 0.457 29.695 1.00 60.25 C ATOM 0 H LEU A 53 14.109 -2.744 32.926 1.00 1.33 H new ATOM 0 HA LEU A 53 15.833 -0.824 31.982 1.00 43.13 H new ATOM 0 HB2 LEU A 53 14.069 -1.973 30.690 1.00 4.12 H new ATOM 0 HB3 LEU A 53 12.834 -1.092 31.567 1.00 4.12 H new ATOM 0 HG LEU A 53 14.359 0.959 30.551 1.00 64.04 H new ATOM 0 HD11 LEU A 53 14.714 0.434 28.170 1.00 61.01 H new ATOM 0 HD12 LEU A 53 15.721 -0.583 29.227 1.00 61.01 H new ATOM 0 HD13 LEU A 53 14.255 -1.257 28.478 1.00 61.01 H new ATOM 0 HD21 LEU A 53 12.515 1.243 28.941 1.00 60.25 H new ATOM 0 HD22 LEU A 53 11.969 -0.417 29.280 1.00 60.25 H new ATOM 0 HD23 LEU A 53 11.916 0.816 30.562 1.00 60.25 H new ATOM 816 N GLY A 54 15.189 1.529 32.634 1.00 61.22 N ATOM 817 CA GLY A 54 14.990 2.831 33.243 1.00 25.21 C ATOM 818 C GLY A 54 13.645 3.435 32.895 1.00 74.34 C ATOM 819 O GLY A 54 12.629 3.092 33.499 1.00 72.34 O ATOM 0 H GLY A 54 15.864 1.512 31.869 1.00 61.22 H new ATOM 0 HA2 GLY A 54 15.074 2.739 34.326 1.00 25.21 H new ATOM 0 HA3 GLY A 54 15.782 3.505 32.918 1.00 25.21 H new ATOM 823 N GLN A 55 13.638 4.337 31.919 1.00 55.40 N ATOM 824 CA GLN A 55 12.406 4.992 31.493 1.00 21.14 C ATOM 825 C GLN A 55 12.354 5.119 29.975 1.00 42.55 C ATOM 826 O GLN A 55 13.379 5.119 29.292 1.00 52.22 O ATOM 827 CB GLN A 55 12.290 6.374 32.137 1.00 14.45 C ATOM 828 CG GLN A 55 13.580 7.176 32.094 1.00 3.44 C ATOM 829 CD GLN A 55 14.446 6.956 33.319 1.00 34.24 C ATOM 830 OE1 GLN A 55 13.941 6.832 34.436 1.00 42.11 O ATOM 831 NE2 GLN A 55 15.757 6.905 33.117 1.00 50.11 N ATOM 0 H GLN A 55 14.471 4.631 31.408 1.00 55.40 H new ATOM 0 HA GLN A 55 11.566 4.377 31.816 1.00 21.14 H new ATOM 0 HB2 GLN A 55 11.505 6.937 31.631 1.00 14.45 H new ATOM 0 HB3 GLN A 55 11.979 6.257 33.175 1.00 14.45 H new ATOM 0 HG2 GLN A 55 14.143 6.903 31.202 1.00 3.44 H new ATOM 0 HG3 GLN A 55 13.341 8.236 32.008 1.00 3.44 H new ATOM 0 HE21 GLN A 55 16.132 7.013 32.175 1.00 50.11 H new ATOM 0 HE22 GLN A 55 16.389 6.758 33.904 1.00 50.11 H new ATOM 840 N PRO A 56 11.133 5.231 29.431 1.00 61.21 N ATOM 841 CA PRO A 56 10.918 5.361 27.987 1.00 45.33 C ATOM 842 C PRO A 56 11.387 6.710 27.450 1.00 23.35 C ATOM 843 O PRO A 56 11.425 7.700 28.181 1.00 74.22 O ATOM 844 CB PRO A 56 9.401 5.226 27.840 1.00 72.10 C ATOM 845 CG PRO A 56 8.853 5.657 29.157 1.00 60.33 C ATOM 846 CD PRO A 56 9.868 5.238 30.184 1.00 11.33 C ATOM 0 HA PRO A 56 11.482 4.618 27.423 1.00 45.33 H new ATOM 0 HB2 PRO A 56 9.024 5.852 27.031 1.00 72.10 H new ATOM 0 HB3 PRO A 56 9.115 4.200 27.609 1.00 72.10 H new ATOM 0 HG2 PRO A 56 8.696 6.735 29.181 1.00 60.33 H new ATOM 0 HG3 PRO A 56 7.887 5.190 29.350 1.00 60.33 H new ATOM 0 HD2 PRO A 56 9.903 5.935 31.022 1.00 11.33 H new ATOM 0 HD3 PRO A 56 9.640 4.255 30.596 1.00 11.33 H new ATOM 854 N SER A 57 11.744 6.741 26.170 1.00 32.24 N ATOM 855 CA SER A 57 12.214 7.968 25.537 1.00 35.53 C ATOM 856 C SER A 57 11.547 8.168 24.179 1.00 23.44 C ATOM 857 O SER A 57 12.188 8.039 23.136 1.00 52.32 O ATOM 858 CB SER A 57 13.734 7.931 25.372 1.00 50.03 C ATOM 859 OG SER A 57 14.382 8.527 26.482 1.00 44.43 O ATOM 0 H SER A 57 11.717 5.931 25.551 1.00 32.24 H new ATOM 0 HA SER A 57 11.946 8.806 26.180 1.00 35.53 H new ATOM 0 HB2 SER A 57 14.066 6.898 25.264 1.00 50.03 H new ATOM 0 HB3 SER A 57 14.017 8.454 24.458 1.00 50.03 H new ATOM 0 HG SER A 57 15.353 8.489 26.353 1.00 44.43 H new ATOM 865 N PHE A 58 10.257 8.483 24.202 1.00 74.05 N ATOM 866 CA PHE A 58 9.502 8.700 22.973 1.00 15.20 C ATOM 867 C PHE A 58 9.901 10.018 22.315 1.00 71.31 C ATOM 868 O PHE A 58 10.075 11.033 22.989 1.00 55.01 O ATOM 869 CB PHE A 58 8.000 8.698 23.265 1.00 34.32 C ATOM 870 CG PHE A 58 7.594 9.678 24.328 1.00 1.23 C ATOM 871 CD1 PHE A 58 7.287 10.989 24.000 1.00 22.20 C ATOM 872 CD2 PHE A 58 7.520 9.289 25.656 1.00 4.32 C ATOM 873 CE1 PHE A 58 6.913 11.894 24.976 1.00 63.52 C ATOM 874 CE2 PHE A 58 7.147 10.189 26.636 1.00 12.32 C ATOM 875 CZ PHE A 58 6.844 11.493 26.296 1.00 41.32 C ATOM 0 H PHE A 58 9.712 8.594 25.057 1.00 74.05 H new ATOM 0 HA PHE A 58 9.733 7.886 22.286 1.00 15.20 H new ATOM 0 HB2 PHE A 58 7.459 8.926 22.346 1.00 34.32 H new ATOM 0 HB3 PHE A 58 7.699 7.696 23.572 1.00 34.32 H new ATOM 0 HD1 PHE A 58 7.341 11.308 22.969 1.00 22.20 H new ATOM 0 HD2 PHE A 58 7.757 8.271 25.928 1.00 4.32 H new ATOM 0 HE1 PHE A 58 6.675 12.913 24.707 1.00 63.52 H new ATOM 0 HE2 PHE A 58 7.092 9.873 27.667 1.00 12.32 H new ATOM 0 HZ PHE A 58 6.554 12.198 27.061 1.00 41.32 H new ATOM 885 N SER A 59 10.045 9.993 20.994 1.00 63.51 N ATOM 886 CA SER A 59 10.428 11.183 20.244 1.00 64.01 C ATOM 887 C SER A 59 9.377 12.279 20.390 1.00 21.14 C ATOM 888 O SER A 59 8.176 12.011 20.365 1.00 34.12 O ATOM 889 CB SER A 59 10.621 10.840 18.766 1.00 45.15 C ATOM 890 OG SER A 59 11.875 11.303 18.294 1.00 11.50 O ATOM 0 H SER A 59 9.902 9.161 20.421 1.00 63.51 H new ATOM 0 HA SER A 59 11.370 11.551 20.651 1.00 64.01 H new ATOM 0 HB2 SER A 59 10.553 9.761 18.628 1.00 45.15 H new ATOM 0 HB3 SER A 59 9.820 11.288 18.178 1.00 45.15 H new ATOM 0 HG SER A 59 11.975 11.070 17.347 1.00 11.50 H new ATOM 896 N LYS A 60 9.838 13.516 20.544 1.00 62.44 N ATOM 897 CA LYS A 60 8.940 14.654 20.693 1.00 2.51 C ATOM 898 C LYS A 60 8.071 14.829 19.452 1.00 62.23 C ATOM 899 O LYS A 60 8.484 15.454 18.476 1.00 63.43 O ATOM 900 CB LYS A 60 9.742 15.932 20.951 1.00 42.22 C ATOM 901 CG LYS A 60 8.880 17.128 21.318 1.00 23.44 C ATOM 902 CD LYS A 60 8.620 17.189 22.814 1.00 21.42 C ATOM 903 CE LYS A 60 7.208 16.736 23.153 1.00 0.22 C ATOM 904 NZ LYS A 60 7.128 16.141 24.516 1.00 4.20 N ATOM 0 H LYS A 60 10.829 13.755 20.569 1.00 62.44 H new ATOM 0 HA LYS A 60 8.289 14.461 21.546 1.00 2.51 H new ATOM 0 HB2 LYS A 60 10.454 15.748 21.755 1.00 42.22 H new ATOM 0 HB3 LYS A 60 10.322 16.173 20.060 1.00 42.22 H new ATOM 0 HG2 LYS A 60 9.372 18.045 20.996 1.00 23.44 H new ATOM 0 HG3 LYS A 60 7.931 17.071 20.785 1.00 23.44 H new ATOM 0 HD2 LYS A 60 9.340 16.559 23.336 1.00 21.42 H new ATOM 0 HD3 LYS A 60 8.772 18.208 23.170 1.00 21.42 H new ATOM 0 HE2 LYS A 60 6.529 17.586 23.087 1.00 0.22 H new ATOM 0 HE3 LYS A 60 6.875 16.004 22.417 1.00 0.22 H new ATOM 0 HZ1 LYS A 60 6.150 15.845 24.709 1.00 4.20 H new ATOM 0 HZ2 LYS A 60 7.757 15.315 24.572 1.00 4.20 H new ATOM 0 HZ3 LYS A 60 7.421 16.847 25.221 1.00 4.20 H new ATOM 918 N GLY A 61 6.864 14.273 19.497 1.00 40.12 N ATOM 919 CA GLY A 61 5.956 14.380 18.370 1.00 73.10 C ATOM 920 C GLY A 61 5.505 15.806 18.122 1.00 62.34 C ATOM 921 O GLY A 61 6.233 16.753 18.417 1.00 52.12 O ATOM 0 H GLY A 61 6.499 13.751 20.293 1.00 40.12 H new ATOM 0 HA2 GLY A 61 6.446 13.996 17.475 1.00 73.10 H new ATOM 0 HA3 GLY A 61 5.083 13.752 18.550 1.00 73.10 H new ATOM 925 N GLU A 62 4.303 15.958 17.576 1.00 53.32 N ATOM 926 CA GLU A 62 3.758 17.280 17.286 1.00 63.54 C ATOM 927 C GLU A 62 2.657 17.644 18.277 1.00 2.12 C ATOM 928 O GLU A 62 1.717 16.878 18.485 1.00 52.14 O ATOM 929 CB GLU A 62 3.210 17.327 15.858 1.00 42.43 C ATOM 930 CG GLU A 62 4.084 18.115 14.896 1.00 3.04 C ATOM 931 CD GLU A 62 3.550 18.102 13.478 1.00 55.15 C ATOM 932 OE1 GLU A 62 2.358 18.425 13.290 1.00 13.25 O ATOM 933 OE2 GLU A 62 4.322 17.769 12.555 1.00 51.03 O ATOM 0 H GLU A 62 3.688 15.184 17.326 1.00 53.32 H new ATOM 0 HA GLU A 62 4.564 18.007 17.383 1.00 63.54 H new ATOM 0 HB2 GLU A 62 3.102 16.308 15.486 1.00 42.43 H new ATOM 0 HB3 GLU A 62 2.213 17.768 15.875 1.00 42.43 H new ATOM 0 HG2 GLU A 62 4.160 19.146 15.242 1.00 3.04 H new ATOM 0 HG3 GLU A 62 5.092 17.700 14.904 1.00 3.04 H new ATOM 940 N GLU A 63 2.783 18.819 18.887 1.00 71.23 N ATOM 941 CA GLU A 63 1.799 19.284 19.858 1.00 44.04 C ATOM 942 C GLU A 63 0.572 19.859 19.156 1.00 3.11 C ATOM 943 O GLU A 63 0.686 20.742 18.306 1.00 53.15 O ATOM 944 CB GLU A 63 2.417 20.340 20.776 1.00 0.33 C ATOM 945 CG GLU A 63 1.769 20.407 22.149 1.00 55.42 C ATOM 946 CD GLU A 63 0.621 21.397 22.204 1.00 72.11 C ATOM 947 OE1 GLU A 63 0.885 22.604 22.384 1.00 64.11 O ATOM 948 OE2 GLU A 63 -0.542 20.963 22.067 1.00 54.54 O ATOM 0 H GLU A 63 3.556 19.465 18.726 1.00 71.23 H new ATOM 0 HA GLU A 63 1.485 18.430 20.458 1.00 44.04 H new ATOM 0 HB2 GLU A 63 3.480 20.129 20.895 1.00 0.33 H new ATOM 0 HB3 GLU A 63 2.338 21.316 20.298 1.00 0.33 H new ATOM 0 HG2 GLU A 63 1.404 19.417 22.423 1.00 55.42 H new ATOM 0 HG3 GLU A 63 2.520 20.686 22.888 1.00 55.42 H new ATOM 955 N LYS A 64 -0.601 19.352 19.518 1.00 20.44 N ATOM 956 CA LYS A 64 -1.851 19.813 18.926 1.00 43.41 C ATOM 957 C LYS A 64 -2.981 19.784 19.949 1.00 15.11 C ATOM 958 O LYS A 64 -2.940 19.018 20.911 1.00 62.21 O ATOM 959 CB LYS A 64 -2.218 18.947 17.719 1.00 21.43 C ATOM 960 CG LYS A 64 -2.792 17.592 18.096 1.00 73.12 C ATOM 961 CD LYS A 64 -4.281 17.516 17.803 1.00 53.55 C ATOM 962 CE LYS A 64 -4.559 17.575 16.308 1.00 4.32 C ATOM 963 NZ LYS A 64 -3.806 16.528 15.563 1.00 53.42 N ATOM 0 H LYS A 64 -0.712 18.620 20.220 1.00 20.44 H new ATOM 0 HA LYS A 64 -1.710 20.842 18.597 1.00 43.41 H new ATOM 0 HB2 LYS A 64 -2.943 19.482 17.106 1.00 21.43 H new ATOM 0 HB3 LYS A 64 -1.330 18.798 17.105 1.00 21.43 H new ATOM 0 HG2 LYS A 64 -2.271 16.809 17.545 1.00 73.12 H new ATOM 0 HG3 LYS A 64 -2.619 17.405 19.156 1.00 73.12 H new ATOM 0 HD2 LYS A 64 -4.687 16.591 18.213 1.00 53.55 H new ATOM 0 HD3 LYS A 64 -4.794 18.338 18.302 1.00 53.55 H new ATOM 0 HE2 LYS A 64 -5.627 17.449 16.132 1.00 4.32 H new ATOM 0 HE3 LYS A 64 -4.287 18.559 15.926 1.00 4.32 H new ATOM 0 HZ1 LYS A 64 -4.224 16.405 14.619 1.00 53.42 H new ATOM 0 HZ2 LYS A 64 -2.812 16.818 15.467 1.00 53.42 H new ATOM 0 HZ3 LYS A 64 -3.856 15.629 16.083 1.00 53.42 H new ATOM 977 N GLU A 65 -3.991 20.622 19.734 1.00 45.43 N ATOM 978 CA GLU A 65 -5.132 20.691 20.638 1.00 74.40 C ATOM 979 C GLU A 65 -6.401 20.195 19.950 1.00 14.13 C ATOM 980 O GLU A 65 -6.720 20.612 18.837 1.00 62.25 O ATOM 981 CB GLU A 65 -5.334 22.124 21.133 1.00 11.31 C ATOM 982 CG GLU A 65 -4.038 22.833 21.489 1.00 52.55 C ATOM 983 CD GLU A 65 -3.455 23.603 20.319 1.00 3.15 C ATOM 984 OE1 GLU A 65 -4.180 24.436 19.737 1.00 12.53 O ATOM 985 OE2 GLU A 65 -2.274 23.372 19.987 1.00 44.14 O ATOM 0 H GLU A 65 -4.041 21.262 18.941 1.00 45.43 H new ATOM 0 HA GLU A 65 -4.926 20.046 21.492 1.00 74.40 H new ATOM 0 HB2 GLU A 65 -5.852 22.696 20.363 1.00 11.31 H new ATOM 0 HB3 GLU A 65 -5.983 22.109 22.009 1.00 11.31 H new ATOM 0 HG2 GLU A 65 -4.219 23.519 22.317 1.00 52.55 H new ATOM 0 HG3 GLU A 65 -3.310 22.100 21.836 1.00 52.55 H new ATOM 992 N ASP A 66 -7.121 19.303 20.622 1.00 50.11 N ATOM 993 CA ASP A 66 -8.356 18.750 20.077 1.00 44.21 C ATOM 994 C ASP A 66 -9.378 18.508 21.183 1.00 4.44 C ATOM 995 O ASP A 66 -9.201 18.961 22.314 1.00 64.02 O ATOM 996 CB ASP A 66 -8.070 17.444 19.335 1.00 74.34 C ATOM 997 CG ASP A 66 -8.689 17.417 17.951 1.00 50.22 C ATOM 998 OD1 ASP A 66 -8.353 18.300 17.134 1.00 14.33 O ATOM 999 OD2 ASP A 66 -9.510 16.514 17.684 1.00 25.15 O ATOM 0 H ASP A 66 -6.871 18.947 21.545 1.00 50.11 H new ATOM 0 HA ASP A 66 -8.771 19.474 19.376 1.00 44.21 H new ATOM 0 HB2 ASP A 66 -6.992 17.306 19.250 1.00 74.34 H new ATOM 0 HB3 ASP A 66 -8.454 16.607 19.918 1.00 74.34 H new ATOM 1004 N GLU A 67 -10.447 17.793 20.848 1.00 1.24 N ATOM 1005 CA GLU A 67 -11.498 17.494 21.814 1.00 62.41 C ATOM 1006 C GLU A 67 -11.485 16.015 22.191 1.00 71.14 C ATOM 1007 O GLU A 67 -12.248 15.576 23.051 1.00 21.45 O ATOM 1008 CB GLU A 67 -12.867 17.875 21.246 1.00 64.20 C ATOM 1009 CG GLU A 67 -13.051 17.486 19.789 1.00 62.42 C ATOM 1010 CD GLU A 67 -12.996 18.679 18.855 1.00 64.12 C ATOM 1011 OE1 GLU A 67 -13.783 19.627 19.055 1.00 74.30 O ATOM 1012 OE2 GLU A 67 -12.164 18.664 17.923 1.00 4.45 O ATOM 0 H GLU A 67 -10.608 17.410 19.916 1.00 1.24 H new ATOM 0 HA GLU A 67 -11.309 18.082 22.712 1.00 62.41 H new ATOM 0 HB2 GLU A 67 -13.644 17.397 21.842 1.00 64.20 H new ATOM 0 HB3 GLU A 67 -13.006 18.951 21.346 1.00 64.20 H new ATOM 0 HG2 GLU A 67 -12.277 16.773 19.507 1.00 62.42 H new ATOM 0 HG3 GLU A 67 -14.009 16.980 19.670 1.00 62.42 H new ATOM 1019 N PHE A 68 -10.614 15.252 21.539 1.00 23.12 N ATOM 1020 CA PHE A 68 -10.502 13.822 21.804 1.00 41.22 C ATOM 1021 C PHE A 68 -9.463 13.549 22.888 1.00 50.44 C ATOM 1022 O PHE A 68 -9.210 12.399 23.245 1.00 31.23 O ATOM 1023 CB PHE A 68 -10.128 13.073 20.523 1.00 33.32 C ATOM 1024 CG PHE A 68 -11.294 12.833 19.607 1.00 33.23 C ATOM 1025 CD1 PHE A 68 -12.105 13.883 19.206 1.00 24.33 C ATOM 1026 CD2 PHE A 68 -11.580 11.558 19.147 1.00 64.51 C ATOM 1027 CE1 PHE A 68 -13.179 13.664 18.364 1.00 4.42 C ATOM 1028 CE2 PHE A 68 -12.652 11.333 18.304 1.00 10.12 C ATOM 1029 CZ PHE A 68 -13.452 12.388 17.912 1.00 41.34 C ATOM 0 H PHE A 68 -9.976 15.600 20.824 1.00 23.12 H new ATOM 0 HA PHE A 68 -11.470 13.466 22.156 1.00 41.22 H new ATOM 0 HB2 PHE A 68 -9.367 13.641 19.988 1.00 33.32 H new ATOM 0 HB3 PHE A 68 -9.682 12.115 20.789 1.00 33.32 H new ATOM 0 HD1 PHE A 68 -11.895 14.883 19.555 1.00 24.33 H new ATOM 0 HD2 PHE A 68 -10.958 10.729 19.451 1.00 64.51 H new ATOM 0 HE1 PHE A 68 -13.804 14.490 18.060 1.00 4.42 H new ATOM 0 HE2 PHE A 68 -12.864 10.334 17.953 1.00 10.12 H new ATOM 0 HZ PHE A 68 -14.290 12.215 17.253 1.00 41.34 H new ATOM 1039 N PHE A 69 -8.864 14.616 23.406 1.00 4.02 N ATOM 1040 CA PHE A 69 -7.851 14.493 24.448 1.00 21.22 C ATOM 1041 C PHE A 69 -7.405 15.867 24.939 1.00 51.34 C ATOM 1042 O PHE A 69 -7.099 16.049 26.116 1.00 1.11 O ATOM 1043 CB PHE A 69 -6.645 13.709 23.926 1.00 3.15 C ATOM 1044 CG PHE A 69 -5.895 14.419 22.835 1.00 31.24 C ATOM 1045 CD1 PHE A 69 -6.497 14.670 21.613 1.00 35.40 C ATOM 1046 CD2 PHE A 69 -4.588 14.835 23.032 1.00 15.42 C ATOM 1047 CE1 PHE A 69 -5.810 15.322 20.607 1.00 24.32 C ATOM 1048 CE2 PHE A 69 -3.896 15.488 22.030 1.00 3.41 C ATOM 1049 CZ PHE A 69 -4.508 15.733 20.816 1.00 24.33 C ATOM 0 H PHE A 69 -9.062 15.575 23.121 1.00 4.02 H new ATOM 0 HA PHE A 69 -8.292 13.953 25.286 1.00 21.22 H new ATOM 0 HB2 PHE A 69 -5.965 13.511 24.754 1.00 3.15 H new ATOM 0 HB3 PHE A 69 -6.984 12.742 23.553 1.00 3.15 H new ATOM 0 HD1 PHE A 69 -7.515 14.352 21.445 1.00 35.40 H new ATOM 0 HD2 PHE A 69 -4.105 14.647 23.979 1.00 15.42 H new ATOM 0 HE1 PHE A 69 -6.291 15.510 19.658 1.00 24.32 H new ATOM 0 HE2 PHE A 69 -2.877 15.807 22.196 1.00 3.41 H new ATOM 0 HZ PHE A 69 -3.970 16.245 20.032 1.00 24.33 H new ATOM 1059 N GLY A 70 -7.371 16.833 24.025 1.00 62.21 N ATOM 1060 CA GLY A 70 -6.961 18.178 24.382 1.00 2.24 C ATOM 1061 C GLY A 70 -5.628 18.560 23.770 1.00 2.01 C ATOM 1062 O GLY A 70 -5.304 18.140 22.659 1.00 33.21 O ATOM 0 H GLY A 70 -7.620 16.707 23.044 1.00 62.21 H new ATOM 0 HA2 GLY A 70 -7.723 18.885 24.055 1.00 2.24 H new ATOM 0 HA3 GLY A 70 -6.895 18.258 25.467 1.00 2.24 H new ATOM 1066 N ARG A 71 -4.853 19.360 24.495 1.00 1.11 N ATOM 1067 CA ARG A 71 -3.549 19.801 24.015 1.00 22.02 C ATOM 1068 C ARG A 71 -2.454 18.831 24.448 1.00 24.24 C ATOM 1069 O ARG A 71 -2.025 18.840 25.602 1.00 70.50 O ATOM 1070 CB ARG A 71 -3.237 21.205 24.537 1.00 32.35 C ATOM 1071 CG ARG A 71 -4.447 22.124 24.573 1.00 33.31 C ATOM 1072 CD ARG A 71 -5.079 22.160 25.956 1.00 61.21 C ATOM 1073 NE ARG A 71 -5.518 23.504 26.322 1.00 23.34 N ATOM 1074 CZ ARG A 71 -5.842 23.859 27.561 1.00 71.24 C ATOM 1075 NH1 ARG A 71 -5.777 22.974 28.546 1.00 3.31 N ATOM 1076 NH2 ARG A 71 -6.232 25.101 27.815 1.00 13.21 N ATOM 0 H ARG A 71 -5.106 19.716 25.417 1.00 1.11 H new ATOM 0 HA ARG A 71 -3.580 19.825 22.926 1.00 22.02 H new ATOM 0 HB2 ARG A 71 -2.821 21.126 25.542 1.00 32.35 H new ATOM 0 HB3 ARG A 71 -2.468 21.655 23.908 1.00 32.35 H new ATOM 0 HG2 ARG A 71 -4.149 23.131 24.282 1.00 33.31 H new ATOM 0 HG3 ARG A 71 -5.184 21.786 23.844 1.00 33.31 H new ATOM 0 HD2 ARG A 71 -5.931 21.480 25.983 1.00 61.21 H new ATOM 0 HD3 ARG A 71 -4.360 21.800 26.692 1.00 61.21 H new ATOM 0 HE ARG A 71 -5.579 24.208 25.587 1.00 23.34 H new ATOM 0 HH11 ARG A 71 -5.478 22.018 28.354 1.00 3.31 H new ATOM 0 HH12 ARG A 71 -6.026 23.249 29.496 1.00 3.31 H new ATOM 0 HH21 ARG A 71 -6.283 25.784 27.059 1.00 13.21 H new ATOM 0 HH22 ARG A 71 -6.481 25.373 28.766 1.00 13.21 H new ATOM 1090 N GLN A 72 -2.007 17.996 23.516 1.00 43.03 N ATOM 1091 CA GLN A 72 -0.963 17.019 23.802 1.00 2.21 C ATOM 1092 C GLN A 72 -0.174 16.680 22.542 1.00 42.22 C ATOM 1093 O GLN A 72 -0.564 17.049 21.433 1.00 1.35 O ATOM 1094 CB GLN A 72 -1.573 15.747 24.393 1.00 13.44 C ATOM 1095 CG GLN A 72 -0.725 15.117 25.486 1.00 35.23 C ATOM 1096 CD GLN A 72 -1.303 15.334 26.871 1.00 22.41 C ATOM 1097 OE1 GLN A 72 -0.864 16.217 27.608 1.00 41.31 O ATOM 1098 NE2 GLN A 72 -2.293 14.526 27.233 1.00 10.31 N ATOM 0 H GLN A 72 -2.351 17.976 22.556 1.00 43.03 H new ATOM 0 HA GLN A 72 -0.280 17.458 24.529 1.00 2.21 H new ATOM 0 HB2 GLN A 72 -2.558 15.980 24.798 1.00 13.44 H new ATOM 0 HB3 GLN A 72 -1.721 15.020 23.595 1.00 13.44 H new ATOM 0 HG2 GLN A 72 -0.633 14.047 25.298 1.00 35.23 H new ATOM 0 HG3 GLN A 72 0.281 15.535 25.447 1.00 35.23 H new ATOM 0 HE21 GLN A 72 -2.626 13.807 26.590 1.00 10.31 H new ATOM 0 HE22 GLN A 72 -2.721 14.624 28.154 1.00 10.31 H new ATOM 1107 N THR A 73 0.939 15.975 22.718 1.00 64.00 N ATOM 1108 CA THR A 73 1.784 15.587 21.596 1.00 44.44 C ATOM 1109 C THR A 73 1.276 14.308 20.941 1.00 50.35 C ATOM 1110 O THR A 73 0.895 13.358 21.624 1.00 61.20 O ATOM 1111 CB THR A 73 3.245 15.379 22.038 1.00 60.32 C ATOM 1112 OG1 THR A 73 3.510 16.132 23.226 1.00 15.43 O ATOM 1113 CG2 THR A 73 4.209 15.800 20.939 1.00 53.31 C ATOM 0 H THR A 73 1.276 15.661 23.628 1.00 64.00 H new ATOM 0 HA THR A 73 1.743 16.402 20.874 1.00 44.44 H new ATOM 0 HB THR A 73 3.392 14.318 22.241 1.00 60.32 H new ATOM 0 HG1 THR A 73 4.440 15.993 23.501 1.00 15.43 H new ATOM 0 HG21 THR A 73 5.234 15.644 21.275 1.00 53.31 H new ATOM 0 HG22 THR A 73 4.025 15.204 20.045 1.00 53.31 H new ATOM 0 HG23 THR A 73 4.060 16.855 20.708 1.00 53.31 H new ATOM 1121 N VAL A 74 1.273 14.290 19.611 1.00 0.33 N ATOM 1122 CA VAL A 74 0.813 13.126 18.864 1.00 51.45 C ATOM 1123 C VAL A 74 1.696 12.870 17.648 1.00 25.40 C ATOM 1124 O VAL A 74 2.585 13.662 17.335 1.00 53.55 O ATOM 1125 CB VAL A 74 -0.645 13.299 18.397 1.00 0.14 C ATOM 1126 CG1 VAL A 74 -1.552 13.600 19.581 1.00 41.52 C ATOM 1127 CG2 VAL A 74 -0.742 14.396 17.348 1.00 41.10 C ATOM 0 H VAL A 74 1.584 15.068 19.030 1.00 0.33 H new ATOM 0 HA VAL A 74 0.872 12.273 19.540 1.00 51.45 H new ATOM 0 HB VAL A 74 -0.977 12.365 17.944 1.00 0.14 H new ATOM 0 HG11 VAL A 74 -2.578 13.719 19.232 1.00 41.52 H new ATOM 0 HG12 VAL A 74 -1.504 12.777 20.294 1.00 41.52 H new ATOM 0 HG13 VAL A 74 -1.224 14.520 20.066 1.00 41.52 H new ATOM 0 HG21 VAL A 74 -1.779 14.504 17.030 1.00 41.10 H new ATOM 0 HG22 VAL A 74 -0.392 15.337 17.772 1.00 41.10 H new ATOM 0 HG23 VAL A 74 -0.124 14.134 16.489 1.00 41.10 H new ATOM 1137 N TYR A 75 1.447 11.757 16.967 1.00 53.14 N ATOM 1138 CA TYR A 75 2.221 11.394 15.786 1.00 51.04 C ATOM 1139 C TYR A 75 1.325 11.299 14.555 1.00 52.34 C ATOM 1140 O TYR A 75 0.238 10.722 14.606 1.00 63.22 O ATOM 1141 CB TYR A 75 2.940 10.063 16.011 1.00 74.43 C ATOM 1142 CG TYR A 75 3.871 10.071 17.202 1.00 73.11 C ATOM 1143 CD1 TYR A 75 4.924 10.973 17.279 1.00 2.41 C ATOM 1144 CD2 TYR A 75 3.696 9.177 18.251 1.00 62.51 C ATOM 1145 CE1 TYR A 75 5.778 10.984 18.365 1.00 33.23 C ATOM 1146 CE2 TYR A 75 4.544 9.181 19.342 1.00 71.32 C ATOM 1147 CZ TYR A 75 5.583 10.086 19.394 1.00 24.20 C ATOM 1148 OH TYR A 75 6.431 10.094 20.478 1.00 15.04 O ATOM 0 H TYR A 75 0.715 11.090 17.213 1.00 53.14 H new ATOM 0 HA TYR A 75 2.962 12.175 15.614 1.00 51.04 H new ATOM 0 HB2 TYR A 75 2.197 9.277 16.147 1.00 74.43 H new ATOM 0 HB3 TYR A 75 3.510 9.812 15.117 1.00 74.43 H new ATOM 0 HD1 TYR A 75 5.078 11.678 16.476 1.00 2.41 H new ATOM 0 HD2 TYR A 75 2.883 8.467 18.213 1.00 62.51 H new ATOM 0 HE1 TYR A 75 6.593 11.691 18.408 1.00 33.23 H new ATOM 0 HE2 TYR A 75 4.394 8.479 20.149 1.00 71.32 H new ATOM 0 HH TYR A 75 6.892 10.958 20.527 1.00 15.04 H new ATOM 1158 N HIS A 76 1.789 11.871 13.448 1.00 72.54 N ATOM 1159 CA HIS A 76 1.031 11.850 12.201 1.00 0.34 C ATOM 1160 C HIS A 76 1.600 10.814 11.236 1.00 12.35 C ATOM 1161 O HIS A 76 1.023 10.552 10.181 1.00 72.53 O ATOM 1162 CB HIS A 76 1.044 13.233 11.549 1.00 3.13 C ATOM 1163 CG HIS A 76 2.376 13.613 10.979 1.00 53.55 C ATOM 1164 ND1 HIS A 76 3.618 13.145 11.241 1.00 41.42 N flip ATOM 1165 CD2 HIS A 76 2.531 14.588 10.016 1.00 21.13 C flip ATOM 1166 CE1 HIS A 76 4.492 13.837 10.440 1.00 62.22 C flip ATOM 1167 NE2 HIS A 76 3.811 14.702 9.710 1.00 43.20 N flip ATOM 0 H HIS A 76 2.685 12.354 13.389 1.00 72.54 H new ATOM 0 HA HIS A 76 0.002 11.576 12.434 1.00 0.34 H new ATOM 0 HB2 HIS A 76 0.297 13.259 10.755 1.00 3.13 H new ATOM 0 HB3 HIS A 76 0.749 13.977 12.289 1.00 3.13 H new ATOM 0 HD2 HIS A 76 1.731 15.168 9.580 1.00 21.13 H new ATOM 0 HE1 HIS A 76 5.562 13.697 10.411 1.00 62.22 H new ATOM 0 HE2 HIS A 76 4.206 15.348 9.027 1.00 43.20 H new ATOM 1175 N HIS A 77 2.735 10.229 11.605 1.00 1.44 N ATOM 1176 CA HIS A 77 3.382 9.222 10.772 1.00 0.11 C ATOM 1177 C HIS A 77 4.577 8.606 11.494 1.00 73.23 C ATOM 1178 O HIS A 77 4.685 7.385 11.603 1.00 72.03 O ATOM 1179 CB HIS A 77 3.834 9.839 9.448 1.00 72.31 C ATOM 1180 CG HIS A 77 4.302 8.829 8.446 1.00 73.13 C ATOM 1181 ND1 HIS A 77 3.597 8.523 7.301 1.00 61.44 N ATOM 1182 CD2 HIS A 77 5.412 8.055 8.421 1.00 71.11 C ATOM 1183 CE1 HIS A 77 4.253 7.603 6.616 1.00 72.33 C ATOM 1184 NE2 HIS A 77 5.358 7.302 7.274 1.00 52.03 N ATOM 0 H HIS A 77 3.226 10.435 12.475 1.00 1.44 H new ATOM 0 HA HIS A 77 2.657 8.434 10.568 1.00 0.11 H new ATOM 0 HB2 HIS A 77 3.008 10.407 9.020 1.00 72.31 H new ATOM 0 HB3 HIS A 77 4.640 10.546 9.643 1.00 72.31 H new ATOM 0 HD2 HIS A 77 6.195 8.034 9.165 1.00 71.11 H new ATOM 0 HE1 HIS A 77 3.939 7.171 5.677 1.00 72.33 H new ATOM 0 HE2 HIS A 77 6.057 6.621 6.978 1.00 52.03 H new ATOM 1192 N GLU A 78 5.471 9.459 11.983 1.00 11.04 N ATOM 1193 CA GLU A 78 6.658 8.997 12.693 1.00 61.13 C ATOM 1194 C GLU A 78 6.375 8.843 14.184 1.00 22.43 C ATOM 1195 O GLU A 78 5.801 9.731 14.813 1.00 50.10 O ATOM 1196 CB GLU A 78 7.818 9.972 12.481 1.00 50.04 C ATOM 1197 CG GLU A 78 7.468 11.414 12.806 1.00 53.44 C ATOM 1198 CD GLU A 78 8.695 12.291 12.965 1.00 33.13 C ATOM 1199 OE1 GLU A 78 9.808 11.737 13.081 1.00 31.43 O ATOM 1200 OE2 GLU A 78 8.542 13.530 12.975 1.00 42.14 O ATOM 0 H GLU A 78 5.396 10.473 11.901 1.00 11.04 H new ATOM 0 HA GLU A 78 6.934 8.022 12.291 1.00 61.13 H new ATOM 0 HB2 GLU A 78 8.659 9.663 13.101 1.00 50.04 H new ATOM 0 HB3 GLU A 78 8.147 9.912 11.444 1.00 50.04 H new ATOM 0 HG2 GLU A 78 6.837 11.818 12.014 1.00 53.44 H new ATOM 0 HG3 GLU A 78 6.883 11.444 13.725 1.00 53.44 H new ATOM 1207 N ALA A 79 6.782 7.708 14.743 1.00 22.25 N ATOM 1208 CA ALA A 79 6.574 7.437 16.161 1.00 63.15 C ATOM 1209 C ALA A 79 7.549 6.379 16.666 1.00 70.41 C ATOM 1210 O ALA A 79 7.285 5.181 16.565 1.00 61.11 O ATOM 1211 CB ALA A 79 5.139 6.997 16.409 1.00 61.23 C ATOM 0 H ALA A 79 7.257 6.961 14.236 1.00 22.25 H new ATOM 0 HA ALA A 79 6.760 8.358 16.713 1.00 63.15 H new ATOM 0 HB1 ALA A 79 4.998 6.798 17.471 1.00 61.23 H new ATOM 0 HB2 ALA A 79 4.457 7.787 16.094 1.00 61.23 H new ATOM 0 HB3 ALA A 79 4.933 6.091 15.840 1.00 61.23 H new ATOM 1217 N GLN A 80 8.675 6.829 17.209 1.00 43.32 N ATOM 1218 CA GLN A 80 9.690 5.920 17.728 1.00 33.32 C ATOM 1219 C GLN A 80 9.967 6.198 19.202 1.00 73.30 C ATOM 1220 O GLN A 80 9.903 7.342 19.651 1.00 11.13 O ATOM 1221 CB GLN A 80 10.982 6.049 16.921 1.00 45.02 C ATOM 1222 CG GLN A 80 12.186 5.407 17.592 1.00 73.30 C ATOM 1223 CD GLN A 80 13.462 5.580 16.792 1.00 74.43 C ATOM 1224 OE1 GLN A 80 13.424 5.883 15.599 1.00 13.30 O ATOM 1225 NE2 GLN A 80 14.601 5.387 17.445 1.00 24.33 N ATOM 0 H GLN A 80 8.908 7.818 17.301 1.00 43.32 H new ATOM 0 HA GLN A 80 9.312 4.902 17.634 1.00 33.32 H new ATOM 0 HB2 GLN A 80 10.836 5.593 15.942 1.00 45.02 H new ATOM 0 HB3 GLN A 80 11.191 7.105 16.752 1.00 45.02 H new ATOM 0 HG2 GLN A 80 12.321 5.843 18.582 1.00 73.30 H new ATOM 0 HG3 GLN A 80 11.993 4.344 17.735 1.00 73.30 H new ATOM 0 HE21 GLN A 80 14.586 5.137 18.434 1.00 24.33 H new ATOM 0 HE22 GLN A 80 15.492 5.489 16.958 1.00 24.33 H new ATOM 1234 N VAL A 81 10.274 5.143 19.950 1.00 3.15 N ATOM 1235 CA VAL A 81 10.562 5.273 21.374 1.00 53.51 C ATOM 1236 C VAL A 81 11.862 4.566 21.739 1.00 1.50 C ATOM 1237 O VAL A 81 12.157 3.485 21.230 1.00 12.42 O ATOM 1238 CB VAL A 81 9.419 4.699 22.232 1.00 22.32 C ATOM 1239 CG1 VAL A 81 9.588 5.106 23.688 1.00 55.41 C ATOM 1240 CG2 VAL A 81 8.070 5.152 21.695 1.00 0.54 C ATOM 0 H VAL A 81 10.330 4.189 19.594 1.00 3.15 H new ATOM 0 HA VAL A 81 10.662 6.339 21.581 1.00 53.51 H new ATOM 0 HB VAL A 81 9.458 3.611 22.178 1.00 22.32 H new ATOM 0 HG11 VAL A 81 8.771 4.691 24.279 1.00 55.41 H new ATOM 0 HG12 VAL A 81 10.538 4.726 24.064 1.00 55.41 H new ATOM 0 HG13 VAL A 81 9.576 6.193 23.766 1.00 55.41 H new ATOM 0 HG21 VAL A 81 7.274 4.737 22.313 1.00 0.54 H new ATOM 0 HG22 VAL A 81 8.016 6.240 21.717 1.00 0.54 H new ATOM 0 HG23 VAL A 81 7.951 4.804 20.669 1.00 0.54 H new ATOM 1250 N ALA A 82 12.637 5.184 22.625 1.00 53.43 N ATOM 1251 CA ALA A 82 13.905 4.613 23.060 1.00 11.14 C ATOM 1252 C ALA A 82 13.789 4.025 24.463 1.00 42.04 C ATOM 1253 O ALA A 82 13.274 4.669 25.376 1.00 13.43 O ATOM 1254 CB ALA A 82 15.001 5.667 23.017 1.00 42.31 C ATOM 0 H ALA A 82 12.408 6.080 23.055 1.00 53.43 H new ATOM 0 HA ALA A 82 14.166 3.806 22.376 1.00 11.14 H new ATOM 0 HB1 ALA A 82 15.943 5.226 23.345 1.00 42.31 H new ATOM 0 HB2 ALA A 82 15.109 6.038 21.998 1.00 42.31 H new ATOM 0 HB3 ALA A 82 14.738 6.493 23.678 1.00 42.31 H new ATOM 1260 N PHE A 83 14.271 2.798 24.626 1.00 64.51 N ATOM 1261 CA PHE A 83 14.220 2.122 25.917 1.00 25.32 C ATOM 1262 C PHE A 83 15.626 1.841 26.440 1.00 63.22 C ATOM 1263 O PHE A 83 16.162 0.742 26.293 1.00 3.14 O ATOM 1264 CB PHE A 83 13.436 0.813 25.801 1.00 23.01 C ATOM 1265 CG PHE A 83 12.153 0.949 25.032 1.00 1.24 C ATOM 1266 CD1 PHE A 83 11.240 1.941 25.353 1.00 60.31 C ATOM 1267 CD2 PHE A 83 11.860 0.085 23.990 1.00 52.23 C ATOM 1268 CE1 PHE A 83 10.058 2.069 24.647 1.00 4.14 C ATOM 1269 CE2 PHE A 83 10.680 0.209 23.280 1.00 21.13 C ATOM 1270 CZ PHE A 83 9.778 1.201 23.610 1.00 12.23 C ATOM 0 H PHE A 83 14.701 2.251 23.880 1.00 64.51 H new ATOM 0 HA PHE A 83 13.713 2.780 26.623 1.00 25.32 H new ATOM 0 HB2 PHE A 83 14.063 0.065 25.316 1.00 23.01 H new ATOM 0 HB3 PHE A 83 13.213 0.442 26.802 1.00 23.01 H new ATOM 0 HD1 PHE A 83 11.454 2.622 26.164 1.00 60.31 H new ATOM 0 HD2 PHE A 83 12.561 -0.694 23.729 1.00 52.23 H new ATOM 0 HE1 PHE A 83 9.355 2.847 24.906 1.00 4.14 H new ATOM 0 HE2 PHE A 83 10.464 -0.470 22.468 1.00 21.13 H new ATOM 0 HZ PHE A 83 8.855 1.298 23.058 1.00 12.23 H new ATOM 1280 N PRO A 84 16.239 2.858 27.064 1.00 20.41 N ATOM 1281 CA PRO A 84 17.590 2.745 27.621 1.00 2.43 C ATOM 1282 C PRO A 84 17.639 1.836 28.844 1.00 3.24 C ATOM 1283 O PRO A 84 16.787 1.923 29.729 1.00 60.42 O ATOM 1284 CB PRO A 84 17.934 4.185 28.011 1.00 12.22 C ATOM 1285 CG PRO A 84 16.616 4.841 28.239 1.00 35.21 C ATOM 1286 CD PRO A 84 15.660 4.195 27.275 1.00 73.14 C ATOM 0 HA PRO A 84 18.288 2.303 26.910 1.00 2.43 H new ATOM 0 HB2 PRO A 84 18.552 4.215 28.909 1.00 12.22 H new ATOM 0 HB3 PRO A 84 18.494 4.686 27.221 1.00 12.22 H new ATOM 0 HG2 PRO A 84 16.285 4.704 29.268 1.00 35.21 H new ATOM 0 HG3 PRO A 84 16.679 5.915 28.065 1.00 35.21 H new ATOM 0 HD2 PRO A 84 14.653 4.136 27.687 1.00 73.14 H new ATOM 0 HD3 PRO A 84 15.591 4.755 26.342 1.00 73.14 H new ATOM 1294 N TYR A 85 18.642 0.966 28.889 1.00 75.44 N ATOM 1295 CA TYR A 85 18.800 0.039 30.003 1.00 62.30 C ATOM 1296 C TYR A 85 19.266 0.771 31.258 1.00 34.52 C ATOM 1297 O TYR A 85 20.034 1.728 31.183 1.00 44.44 O ATOM 1298 CB TYR A 85 19.799 -1.061 29.640 1.00 24.24 C ATOM 1299 CG TYR A 85 19.373 -1.900 28.457 1.00 22.52 C ATOM 1300 CD1 TYR A 85 18.043 -2.258 28.277 1.00 72.00 C ATOM 1301 CD2 TYR A 85 20.301 -2.335 27.519 1.00 62.13 C ATOM 1302 CE1 TYR A 85 17.649 -3.025 27.198 1.00 62.32 C ATOM 1303 CE2 TYR A 85 19.916 -3.101 26.436 1.00 64.55 C ATOM 1304 CZ TYR A 85 18.590 -3.444 26.280 1.00 75.32 C ATOM 1305 OH TYR A 85 18.201 -4.208 25.203 1.00 42.44 O ATOM 0 H TYR A 85 19.358 0.884 28.167 1.00 75.44 H new ATOM 0 HA TYR A 85 17.830 -0.414 30.207 1.00 62.30 H new ATOM 0 HB2 TYR A 85 20.765 -0.605 29.422 1.00 24.24 H new ATOM 0 HB3 TYR A 85 19.940 -1.711 30.503 1.00 24.24 H new ATOM 0 HD1 TYR A 85 17.304 -1.931 28.993 1.00 72.00 H new ATOM 0 HD2 TYR A 85 21.341 -2.070 27.639 1.00 62.13 H new ATOM 0 HE1 TYR A 85 16.611 -3.295 27.074 1.00 62.32 H new ATOM 0 HE2 TYR A 85 20.650 -3.430 25.715 1.00 64.55 H new ATOM 0 HH TYR A 85 17.890 -5.082 25.518 1.00 42.44 H new ATOM 1315 N ALA A 86 18.794 0.311 32.412 1.00 34.23 N ATOM 1316 CA ALA A 86 19.162 0.919 33.685 1.00 63.32 C ATOM 1317 C ALA A 86 20.229 0.095 34.398 1.00 22.00 C ATOM 1318 O ALA A 86 20.956 0.606 35.251 1.00 70.44 O ATOM 1319 CB ALA A 86 17.935 1.076 34.570 1.00 32.20 C ATOM 0 H ALA A 86 18.156 -0.481 32.492 1.00 34.23 H new ATOM 0 HA ALA A 86 19.577 1.906 33.481 1.00 63.32 H new ATOM 0 HB1 ALA A 86 18.225 1.531 35.517 1.00 32.20 H new ATOM 0 HB2 ALA A 86 17.205 1.712 34.070 1.00 32.20 H new ATOM 0 HB3 ALA A 86 17.494 0.097 34.758 1.00 32.20 H new ATOM 1325 N LYS A 87 20.318 -1.183 34.045 1.00 50.25 N ATOM 1326 CA LYS A 87 21.296 -2.078 34.650 1.00 63.40 C ATOM 1327 C LYS A 87 21.722 -3.164 33.666 1.00 4.44 C ATOM 1328 O LYS A 87 20.903 -3.688 32.913 1.00 51.11 O ATOM 1329 CB LYS A 87 20.718 -2.719 35.914 1.00 63.22 C ATOM 1330 CG LYS A 87 20.595 -1.757 37.082 1.00 4.42 C ATOM 1331 CD LYS A 87 21.959 -1.337 37.605 1.00 61.20 C ATOM 1332 CE LYS A 87 22.725 -2.520 38.177 1.00 73.50 C ATOM 1333 NZ LYS A 87 23.464 -2.156 39.417 1.00 10.41 N ATOM 0 H LYS A 87 19.724 -1.622 33.342 1.00 50.25 H new ATOM 0 HA LYS A 87 22.174 -1.489 34.917 1.00 63.40 H new ATOM 0 HB2 LYS A 87 19.734 -3.128 35.686 1.00 63.22 H new ATOM 0 HB3 LYS A 87 21.351 -3.556 36.209 1.00 63.22 H new ATOM 0 HG2 LYS A 87 20.036 -0.874 36.770 1.00 4.42 H new ATOM 0 HG3 LYS A 87 20.026 -2.228 37.884 1.00 4.42 H new ATOM 0 HD2 LYS A 87 22.536 -0.885 36.798 1.00 61.20 H new ATOM 0 HD3 LYS A 87 21.836 -0.575 38.375 1.00 61.20 H new ATOM 0 HE2 LYS A 87 22.030 -3.332 38.393 1.00 73.50 H new ATOM 0 HE3 LYS A 87 23.428 -2.892 37.432 1.00 73.50 H new ATOM 0 HZ1 LYS A 87 23.973 -2.989 39.775 1.00 10.41 H new ATOM 0 HZ2 LYS A 87 24.145 -1.399 39.206 1.00 10.41 H new ATOM 0 HZ3 LYS A 87 22.791 -1.825 40.138 1.00 10.41 H new ATOM 1347 N ALA A 88 23.009 -3.497 33.680 1.00 0.54 N ATOM 1348 CA ALA A 88 23.542 -4.522 32.792 1.00 5.31 C ATOM 1349 C ALA A 88 22.731 -5.809 32.889 1.00 15.21 C ATOM 1350 O ALA A 88 22.470 -6.310 33.983 1.00 3.42 O ATOM 1351 CB ALA A 88 25.004 -4.792 33.116 1.00 4.00 C ATOM 0 H ALA A 88 23.701 -3.072 34.297 1.00 0.54 H new ATOM 0 HA ALA A 88 23.469 -4.154 31.768 1.00 5.31 H new ATOM 0 HB1 ALA A 88 25.390 -5.560 32.445 1.00 4.00 H new ATOM 0 HB2 ALA A 88 25.580 -3.876 32.988 1.00 4.00 H new ATOM 0 HB3 ALA A 88 25.091 -5.134 34.147 1.00 4.00 H new ATOM 1357 N VAL A 89 22.332 -6.340 31.738 1.00 52.24 N ATOM 1358 CA VAL A 89 21.549 -7.569 31.693 1.00 64.31 C ATOM 1359 C VAL A 89 22.050 -8.500 30.594 1.00 41.31 C ATOM 1360 O VAL A 89 22.279 -8.074 29.462 1.00 34.53 O ATOM 1361 CB VAL A 89 20.055 -7.276 31.461 1.00 43.34 C ATOM 1362 CG1 VAL A 89 19.520 -6.346 32.539 1.00 51.45 C ATOM 1363 CG2 VAL A 89 19.838 -6.682 30.077 1.00 63.22 C ATOM 0 H VAL A 89 22.538 -5.938 30.824 1.00 52.24 H new ATOM 0 HA VAL A 89 21.669 -8.056 32.661 1.00 64.31 H new ATOM 0 HB VAL A 89 19.505 -8.215 31.519 1.00 43.34 H new ATOM 0 HG11 VAL A 89 18.463 -6.150 32.359 1.00 51.45 H new ATOM 0 HG12 VAL A 89 19.641 -6.814 33.516 1.00 51.45 H new ATOM 0 HG13 VAL A 89 20.072 -5.407 32.516 1.00 51.45 H new ATOM 0 HG21 VAL A 89 18.777 -6.481 29.930 1.00 63.22 H new ATOM 0 HG22 VAL A 89 20.399 -5.752 29.988 1.00 63.22 H new ATOM 0 HG23 VAL A 89 20.182 -7.387 29.320 1.00 63.22 H new ATOM 1373 N GLY A 90 22.218 -9.774 30.936 1.00 44.35 N ATOM 1374 CA GLY A 90 22.691 -10.745 29.967 1.00 71.34 C ATOM 1375 C GLY A 90 21.623 -11.751 29.586 1.00 33.21 C ATOM 1376 O GLY A 90 21.814 -12.552 28.672 1.00 54.05 O ATOM 0 H GLY A 90 22.035 -10.150 31.866 1.00 44.35 H new ATOM 0 HA2 GLY A 90 23.031 -10.224 29.072 1.00 71.34 H new ATOM 0 HA3 GLY A 90 23.553 -11.272 30.376 1.00 71.34 H new ATOM 1380 N GLU A 91 20.496 -11.711 30.291 1.00 61.03 N ATOM 1381 CA GLU A 91 19.395 -12.629 30.022 1.00 0.44 C ATOM 1382 C GLU A 91 18.317 -11.953 29.179 1.00 22.42 C ATOM 1383 O GLU A 91 18.268 -10.730 29.053 1.00 13.45 O ATOM 1384 CB GLU A 91 18.790 -13.132 31.335 1.00 64.33 C ATOM 1385 CG GLU A 91 19.251 -14.528 31.721 1.00 54.12 C ATOM 1386 CD GLU A 91 18.408 -15.135 32.826 1.00 70.35 C ATOM 1387 OE1 GLU A 91 18.134 -14.431 33.819 1.00 2.43 O ATOM 1388 OE2 GLU A 91 18.022 -16.316 32.695 1.00 22.05 O ATOM 0 H GLU A 91 20.322 -11.054 31.051 1.00 61.03 H new ATOM 0 HA GLU A 91 19.790 -13.477 29.463 1.00 0.44 H new ATOM 0 HB2 GLU A 91 19.050 -12.438 32.135 1.00 64.33 H new ATOM 0 HB3 GLU A 91 17.703 -13.128 31.250 1.00 64.33 H new ATOM 0 HG2 GLU A 91 19.214 -15.174 30.844 1.00 54.12 H new ATOM 0 HG3 GLU A 91 20.291 -14.487 32.043 1.00 54.12 H new ATOM 1395 N PRO A 92 17.433 -12.769 28.586 1.00 31.23 N ATOM 1396 CA PRO A 92 16.340 -12.274 27.745 1.00 54.13 C ATOM 1397 C PRO A 92 15.272 -11.543 28.552 1.00 42.13 C ATOM 1398 O PRO A 92 15.032 -11.864 29.716 1.00 51.02 O ATOM 1399 CB PRO A 92 15.762 -13.550 27.126 1.00 2.42 C ATOM 1400 CG PRO A 92 16.110 -14.630 28.092 1.00 42.45 C ATOM 1401 CD PRO A 92 17.432 -14.238 28.692 1.00 12.15 C ATOM 0 HA PRO A 92 16.688 -11.547 27.011 1.00 54.13 H new ATOM 0 HB2 PRO A 92 14.683 -13.471 26.992 1.00 2.42 H new ATOM 0 HB3 PRO A 92 16.192 -13.744 26.143 1.00 2.42 H new ATOM 0 HG2 PRO A 92 15.345 -14.726 28.862 1.00 42.45 H new ATOM 0 HG3 PRO A 92 16.180 -15.595 27.590 1.00 42.45 H new ATOM 0 HD2 PRO A 92 17.516 -14.566 29.728 1.00 12.15 H new ATOM 0 HD3 PRO A 92 18.267 -14.681 28.149 1.00 12.15 H new ATOM 1409 N TYR A 93 14.635 -10.560 27.927 1.00 53.55 N ATOM 1410 CA TYR A 93 13.594 -9.782 28.588 1.00 52.52 C ATOM 1411 C TYR A 93 12.319 -9.755 27.750 1.00 12.44 C ATOM 1412 O TYR A 93 12.321 -10.138 26.580 1.00 24.35 O ATOM 1413 CB TYR A 93 14.080 -8.354 28.843 1.00 14.23 C ATOM 1414 CG TYR A 93 15.223 -7.934 27.948 1.00 51.25 C ATOM 1415 CD1 TYR A 93 16.540 -8.217 28.290 1.00 14.41 C ATOM 1416 CD2 TYR A 93 14.987 -7.253 26.759 1.00 20.44 C ATOM 1417 CE1 TYR A 93 17.588 -7.834 27.475 1.00 34.32 C ATOM 1418 CE2 TYR A 93 16.029 -6.869 25.938 1.00 53.53 C ATOM 1419 CZ TYR A 93 17.327 -7.161 26.300 1.00 40.00 C ATOM 1420 OH TYR A 93 18.367 -6.778 25.485 1.00 65.01 O ATOM 0 H TYR A 93 14.821 -10.283 26.963 1.00 53.55 H new ATOM 0 HA TYR A 93 13.370 -10.259 29.542 1.00 52.52 H new ATOM 0 HB2 TYR A 93 13.247 -7.665 28.702 1.00 14.23 H new ATOM 0 HB3 TYR A 93 14.393 -8.266 29.883 1.00 14.23 H new ATOM 0 HD1 TYR A 93 16.748 -8.745 29.209 1.00 14.41 H new ATOM 0 HD2 TYR A 93 13.972 -7.020 26.473 1.00 20.44 H new ATOM 0 HE1 TYR A 93 18.606 -8.060 27.757 1.00 34.32 H new ATOM 0 HE2 TYR A 93 15.828 -6.342 25.017 1.00 53.53 H new ATOM 0 HH TYR A 93 18.065 -6.767 24.553 1.00 65.01 H new ATOM 1430 N LYS A 94 11.229 -9.298 28.358 1.00 2.42 N ATOM 1431 CA LYS A 94 9.946 -9.217 27.671 1.00 72.31 C ATOM 1432 C LYS A 94 9.634 -7.780 27.267 1.00 11.21 C ATOM 1433 O LYS A 94 9.931 -6.839 28.004 1.00 0.32 O ATOM 1434 CB LYS A 94 8.830 -9.760 28.566 1.00 33.41 C ATOM 1435 CG LYS A 94 7.631 -10.283 27.794 1.00 54.31 C ATOM 1436 CD LYS A 94 6.471 -9.301 27.834 1.00 61.51 C ATOM 1437 CE LYS A 94 5.442 -9.698 28.881 1.00 14.41 C ATOM 1438 NZ LYS A 94 4.433 -10.648 28.336 1.00 40.22 N ATOM 0 H LYS A 94 11.209 -8.978 29.326 1.00 2.42 H new ATOM 0 HA LYS A 94 10.007 -9.824 26.768 1.00 72.31 H new ATOM 0 HB2 LYS A 94 9.231 -10.562 29.186 1.00 33.41 H new ATOM 0 HB3 LYS A 94 8.500 -8.970 29.241 1.00 33.41 H new ATOM 0 HG2 LYS A 94 7.916 -10.469 26.759 1.00 54.31 H new ATOM 0 HG3 LYS A 94 7.315 -11.238 28.214 1.00 54.31 H new ATOM 0 HD2 LYS A 94 6.846 -8.301 28.052 1.00 61.51 H new ATOM 0 HD3 LYS A 94 5.996 -9.257 26.854 1.00 61.51 H new ATOM 0 HE2 LYS A 94 5.948 -10.154 29.732 1.00 14.41 H new ATOM 0 HE3 LYS A 94 4.938 -8.805 29.251 1.00 14.41 H new ATOM 0 HZ1 LYS A 94 3.507 -10.457 28.769 1.00 40.22 H new ATOM 0 HZ2 LYS A 94 4.365 -10.529 27.305 1.00 40.22 H new ATOM 0 HZ3 LYS A 94 4.722 -11.623 28.553 1.00 40.22 H new ATOM 1452 N LEU A 95 9.033 -7.617 26.094 1.00 75.01 N ATOM 1453 CA LEU A 95 8.678 -6.294 25.593 1.00 44.53 C ATOM 1454 C LEU A 95 7.164 -6.135 25.496 1.00 65.13 C ATOM 1455 O LEU A 95 6.450 -7.084 25.173 1.00 33.23 O ATOM 1456 CB LEU A 95 9.316 -6.058 24.222 1.00 22.04 C ATOM 1457 CG LEU A 95 9.296 -4.617 23.711 1.00 31.03 C ATOM 1458 CD1 LEU A 95 10.386 -4.404 22.673 1.00 40.43 C ATOM 1459 CD2 LEU A 95 7.931 -4.276 23.132 1.00 13.21 C ATOM 0 H LEU A 95 8.781 -8.385 25.472 1.00 75.01 H new ATOM 0 HA LEU A 95 9.058 -5.553 26.297 1.00 44.53 H new ATOM 0 HB2 LEU A 95 10.352 -6.393 24.263 1.00 22.04 H new ATOM 0 HB3 LEU A 95 8.806 -6.688 23.493 1.00 22.04 H new ATOM 0 HG LEU A 95 9.489 -3.950 24.552 1.00 31.03 H new ATOM 0 HD11 LEU A 95 10.356 -3.373 22.321 1.00 40.43 H new ATOM 0 HD12 LEU A 95 11.359 -4.607 23.120 1.00 40.43 H new ATOM 0 HD13 LEU A 95 10.225 -5.079 21.833 1.00 40.43 H new ATOM 0 HD21 LEU A 95 7.935 -3.247 22.773 1.00 13.21 H new ATOM 0 HD22 LEU A 95 7.709 -4.948 22.303 1.00 13.21 H new ATOM 0 HD23 LEU A 95 7.170 -4.388 23.904 1.00 13.21 H new ATOM 1471 N VAL A 96 6.682 -4.928 25.775 1.00 72.42 N ATOM 1472 CA VAL A 96 5.253 -4.644 25.716 1.00 71.22 C ATOM 1473 C VAL A 96 4.991 -3.268 25.114 1.00 72.22 C ATOM 1474 O VAL A 96 5.324 -2.244 25.710 1.00 4.55 O ATOM 1475 CB VAL A 96 4.609 -4.712 27.113 1.00 31.23 C ATOM 1476 CG1 VAL A 96 3.094 -4.625 27.008 1.00 20.01 C ATOM 1477 CG2 VAL A 96 5.029 -5.986 27.832 1.00 43.53 C ATOM 0 H VAL A 96 7.260 -4.132 26.044 1.00 72.42 H new ATOM 0 HA VAL A 96 4.805 -5.407 25.080 1.00 71.22 H new ATOM 0 HB VAL A 96 4.958 -3.860 27.696 1.00 31.23 H new ATOM 0 HG11 VAL A 96 2.657 -4.675 28.005 1.00 20.01 H new ATOM 0 HG12 VAL A 96 2.815 -3.683 26.536 1.00 20.01 H new ATOM 0 HG13 VAL A 96 2.723 -5.455 26.407 1.00 20.01 H new ATOM 0 HG21 VAL A 96 4.565 -6.017 28.818 1.00 43.53 H new ATOM 0 HG22 VAL A 96 4.710 -6.853 27.253 1.00 43.53 H new ATOM 0 HG23 VAL A 96 6.113 -6.002 27.941 1.00 43.53 H new ATOM 1487 N LEU A 97 4.391 -3.252 23.929 1.00 51.23 N ATOM 1488 CA LEU A 97 4.082 -2.001 23.245 1.00 45.34 C ATOM 1489 C LEU A 97 2.579 -1.850 23.037 1.00 51.10 C ATOM 1490 O LEU A 97 1.888 -2.811 22.698 1.00 70.33 O ATOM 1491 CB LEU A 97 4.803 -1.942 21.897 1.00 64.52 C ATOM 1492 CG LEU A 97 5.907 -0.892 21.771 1.00 64.01 C ATOM 1493 CD1 LEU A 97 7.005 -1.380 20.838 1.00 32.10 C ATOM 1494 CD2 LEU A 97 5.334 0.428 21.278 1.00 53.33 C ATOM 0 H LEU A 97 4.109 -4.091 23.422 1.00 51.23 H new ATOM 0 HA LEU A 97 4.428 -1.179 23.872 1.00 45.34 H new ATOM 0 HB2 LEU A 97 5.237 -2.922 21.697 1.00 64.52 H new ATOM 0 HB3 LEU A 97 4.062 -1.756 21.119 1.00 64.52 H new ATOM 0 HG LEU A 97 6.342 -0.731 22.757 1.00 64.01 H new ATOM 0 HD11 LEU A 97 7.782 -0.619 20.761 1.00 32.10 H new ATOM 0 HD12 LEU A 97 7.436 -2.300 21.233 1.00 32.10 H new ATOM 0 HD13 LEU A 97 6.585 -1.571 19.850 1.00 32.10 H new ATOM 0 HD21 LEU A 97 6.134 1.163 21.194 1.00 53.33 H new ATOM 0 HD22 LEU A 97 4.872 0.282 20.302 1.00 53.33 H new ATOM 0 HD23 LEU A 97 4.585 0.786 21.984 1.00 53.33 H new ATOM 1506 N THR A 98 2.077 -0.636 23.241 1.00 42.31 N ATOM 1507 CA THR A 98 0.656 -0.358 23.075 1.00 21.22 C ATOM 1508 C THR A 98 0.435 0.925 22.282 1.00 62.41 C ATOM 1509 O THR A 98 0.960 1.982 22.633 1.00 31.55 O ATOM 1510 CB THR A 98 -0.055 -0.235 24.436 1.00 23.53 C ATOM 1511 OG1 THR A 98 0.502 -1.172 25.366 1.00 41.51 O ATOM 1512 CG2 THR A 98 -1.548 -0.485 24.291 1.00 13.31 C ATOM 0 H THR A 98 2.634 0.171 23.522 1.00 42.31 H new ATOM 0 HA THR A 98 0.232 -1.199 22.526 1.00 21.22 H new ATOM 0 HB THR A 98 0.093 0.779 24.808 1.00 23.53 H new ATOM 0 HG1 THR A 98 0.046 -1.087 26.229 1.00 41.51 H new ATOM 0 HG21 THR A 98 -2.029 -0.393 25.265 1.00 13.31 H new ATOM 0 HG22 THR A 98 -1.975 0.247 23.605 1.00 13.31 H new ATOM 0 HG23 THR A 98 -1.712 -1.489 23.899 1.00 13.31 H new ATOM 1520 N TYR A 99 -0.344 0.825 21.211 1.00 14.40 N ATOM 1521 CA TYR A 99 -0.633 1.978 20.367 1.00 53.35 C ATOM 1522 C TYR A 99 -2.137 2.209 20.255 1.00 33.12 C ATOM 1523 O TYR A 99 -2.909 1.266 20.078 1.00 4.42 O ATOM 1524 CB TYR A 99 -0.032 1.780 18.974 1.00 10.41 C ATOM 1525 CG TYR A 99 0.794 0.521 18.845 1.00 60.34 C ATOM 1526 CD1 TYR A 99 2.128 0.498 19.234 1.00 53.10 C ATOM 1527 CD2 TYR A 99 0.241 -0.647 18.332 1.00 5.43 C ATOM 1528 CE1 TYR A 99 2.887 -0.650 19.117 1.00 73.30 C ATOM 1529 CE2 TYR A 99 0.992 -1.800 18.213 1.00 4.11 C ATOM 1530 CZ TYR A 99 2.314 -1.797 18.606 1.00 4.25 C ATOM 1531 OH TYR A 99 3.066 -2.943 18.488 1.00 61.20 O ATOM 0 H TYR A 99 -0.786 -0.042 20.907 1.00 14.40 H new ATOM 0 HA TYR A 99 -0.182 2.856 20.829 1.00 53.35 H new ATOM 0 HB2 TYR A 99 -0.838 1.753 18.240 1.00 10.41 H new ATOM 0 HB3 TYR A 99 0.592 2.640 18.731 1.00 10.41 H new ATOM 0 HD1 TYR A 99 2.579 1.394 19.635 1.00 53.10 H new ATOM 0 HD2 TYR A 99 -0.793 -0.653 18.021 1.00 5.43 H new ATOM 0 HE1 TYR A 99 3.923 -0.650 19.424 1.00 73.30 H new ATOM 0 HE2 TYR A 99 0.546 -2.699 17.814 1.00 4.11 H new ATOM 0 HH TYR A 99 3.752 -2.957 19.187 1.00 61.20 H new ATOM 1541 N GLN A 100 -2.545 3.469 20.360 1.00 54.42 N ATOM 1542 CA GLN A 100 -3.957 3.825 20.271 1.00 22.22 C ATOM 1543 C GLN A 100 -4.127 5.262 19.790 1.00 31.01 C ATOM 1544 O GLN A 100 -3.573 6.192 20.374 1.00 13.40 O ATOM 1545 CB GLN A 100 -4.636 3.645 21.630 1.00 1.41 C ATOM 1546 CG GLN A 100 -6.012 4.287 21.712 1.00 23.30 C ATOM 1547 CD GLN A 100 -6.836 4.061 20.460 1.00 12.20 C ATOM 1548 OE1 GLN A 100 -6.742 3.012 19.822 1.00 55.44 O ATOM 1549 NE2 GLN A 100 -7.651 5.047 20.102 1.00 63.23 N ATOM 0 H GLN A 100 -1.919 4.261 20.507 1.00 54.42 H new ATOM 0 HA GLN A 100 -4.429 3.161 19.546 1.00 22.22 H new ATOM 0 HB2 GLN A 100 -4.728 2.580 21.843 1.00 1.41 H new ATOM 0 HB3 GLN A 100 -3.999 4.071 22.405 1.00 1.41 H new ATOM 0 HG2 GLN A 100 -6.546 3.884 22.572 1.00 23.30 H new ATOM 0 HG3 GLN A 100 -5.900 5.358 21.880 1.00 23.30 H new ATOM 0 HE21 GLN A 100 -7.697 5.899 20.661 1.00 63.23 H new ATOM 0 HE22 GLN A 100 -8.231 4.952 19.268 1.00 63.23 H new ATOM 1558 N GLY A 101 -4.898 5.436 18.720 1.00 24.54 N ATOM 1559 CA GLY A 101 -5.126 6.762 18.178 1.00 15.24 C ATOM 1560 C GLY A 101 -6.422 6.853 17.396 1.00 2.54 C ATOM 1561 O GLY A 101 -7.313 6.020 17.559 1.00 41.01 O ATOM 0 H GLY A 101 -5.368 4.682 18.220 1.00 24.54 H new ATOM 0 HA2 GLY A 101 -5.145 7.486 18.993 1.00 15.24 H new ATOM 0 HA3 GLY A 101 -4.294 7.034 17.529 1.00 15.24 H new ATOM 1565 N SER A 102 -6.528 7.870 16.546 1.00 24.32 N ATOM 1566 CA SER A 102 -7.726 8.070 15.740 1.00 10.30 C ATOM 1567 C SER A 102 -7.360 8.445 14.307 1.00 73.20 C ATOM 1568 O SER A 102 -6.198 8.709 14.000 1.00 31.51 O ATOM 1569 CB SER A 102 -8.604 9.161 16.356 1.00 11.20 C ATOM 1570 OG SER A 102 -9.739 8.602 16.995 1.00 43.30 O ATOM 0 H SER A 102 -5.799 8.568 16.398 1.00 24.32 H new ATOM 0 HA SER A 102 -8.282 7.133 15.721 1.00 10.30 H new ATOM 0 HB2 SER A 102 -8.023 9.736 17.077 1.00 11.20 H new ATOM 0 HB3 SER A 102 -8.925 9.855 15.580 1.00 11.20 H new ATOM 0 HG SER A 102 -10.458 8.484 16.340 1.00 43.30 H new ATOM 1576 N ALA A 103 -8.362 8.466 13.434 1.00 62.34 N ATOM 1577 CA ALA A 103 -8.147 8.809 12.033 1.00 13.44 C ATOM 1578 C ALA A 103 -8.389 10.295 11.790 1.00 50.23 C ATOM 1579 O ALA A 103 -9.339 10.873 12.317 1.00 61.10 O ATOM 1580 CB ALA A 103 -9.051 7.972 11.140 1.00 3.21 C ATOM 0 H ALA A 103 -9.330 8.250 13.672 1.00 62.34 H new ATOM 0 HA ALA A 103 -7.108 8.591 11.785 1.00 13.44 H new ATOM 0 HB1 ALA A 103 -8.880 8.239 10.097 1.00 3.21 H new ATOM 0 HB2 ALA A 103 -8.828 6.915 11.286 1.00 3.21 H new ATOM 0 HB3 ALA A 103 -10.093 8.162 11.397 1.00 3.21 H new ATOM 1586 N GLU A 104 -7.523 10.907 10.988 1.00 2.43 N ATOM 1587 CA GLU A 104 -7.643 12.327 10.677 1.00 23.10 C ATOM 1588 C GLU A 104 -9.013 12.640 10.083 1.00 61.34 C ATOM 1589 O GLU A 104 -9.480 13.777 10.137 1.00 21.01 O ATOM 1590 CB GLU A 104 -6.543 12.753 9.703 1.00 64.24 C ATOM 1591 CG GLU A 104 -5.457 13.601 10.343 1.00 24.44 C ATOM 1592 CD GLU A 104 -4.461 14.136 9.332 1.00 34.31 C ATOM 1593 OE1 GLU A 104 -4.823 15.065 8.580 1.00 63.02 O ATOM 1594 OE2 GLU A 104 -3.322 13.626 9.293 1.00 74.23 O ATOM 0 H GLU A 104 -6.732 10.443 10.542 1.00 2.43 H new ATOM 0 HA GLU A 104 -7.533 12.887 11.606 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -6.088 11.862 9.270 1.00 64.24 H new ATOM 0 HB3 GLU A 104 -6.993 13.312 8.883 1.00 64.24 H new ATOM 0 HG2 GLU A 104 -5.917 14.436 10.871 1.00 24.44 H new ATOM 0 HG3 GLU A 104 -4.929 13.006 11.088 1.00 24.44 H new ATOM 1601 N ALA A 105 -9.651 11.622 9.515 1.00 74.23 N ATOM 1602 CA ALA A 105 -10.968 11.787 8.911 1.00 21.23 C ATOM 1603 C ALA A 105 -12.046 11.938 9.979 1.00 11.10 C ATOM 1604 O ALA A 105 -13.070 12.582 9.754 1.00 2.45 O ATOM 1605 CB ALA A 105 -11.284 10.608 8.003 1.00 63.20 C ATOM 0 H ALA A 105 -9.278 10.674 9.460 1.00 74.23 H new ATOM 0 HA ALA A 105 -10.955 12.698 8.313 1.00 21.23 H new ATOM 0 HB1 ALA A 105 -12.270 10.745 7.559 1.00 63.20 H new ATOM 0 HB2 ALA A 105 -10.536 10.546 7.213 1.00 63.20 H new ATOM 0 HB3 ALA A 105 -11.273 9.687 8.586 1.00 63.20 H new ATOM 1611 N GLY A 106 -11.809 11.339 11.142 1.00 31.12 N ATOM 1612 CA GLY A 106 -12.770 11.419 12.227 1.00 61.51 C ATOM 1613 C GLY A 106 -13.238 10.053 12.688 1.00 22.44 C ATOM 1614 O GLY A 106 -14.432 9.833 12.892 1.00 40.33 O ATOM 0 H GLY A 106 -10.969 10.800 11.352 1.00 31.12 H new ATOM 0 HA2 GLY A 106 -12.321 11.949 13.067 1.00 61.51 H new ATOM 0 HA3 GLY A 106 -13.631 12.005 11.904 1.00 61.51 H new ATOM 1618 N VAL A 107 -12.295 9.130 12.853 1.00 1.21 N ATOM 1619 CA VAL A 107 -12.617 7.778 13.293 1.00 62.11 C ATOM 1620 C VAL A 107 -11.847 7.413 14.557 1.00 11.44 C ATOM 1621 O VAL A 107 -10.686 7.792 14.721 1.00 75.13 O ATOM 1622 CB VAL A 107 -12.303 6.742 12.197 1.00 21.34 C ATOM 1623 CG1 VAL A 107 -12.462 5.329 12.737 1.00 32.44 C ATOM 1624 CG2 VAL A 107 -13.195 6.962 10.985 1.00 31.21 C ATOM 0 H VAL A 107 -11.302 9.294 12.688 1.00 1.21 H new ATOM 0 HA VAL A 107 -13.686 7.760 13.505 1.00 62.11 H new ATOM 0 HB VAL A 107 -11.267 6.871 11.885 1.00 21.34 H new ATOM 0 HG11 VAL A 107 -12.236 4.611 11.949 1.00 32.44 H new ATOM 0 HG12 VAL A 107 -11.777 5.179 13.572 1.00 32.44 H new ATOM 0 HG13 VAL A 107 -13.487 5.183 13.078 1.00 32.44 H new ATOM 0 HG21 VAL A 107 -12.960 6.221 10.221 1.00 31.21 H new ATOM 0 HG22 VAL A 107 -14.240 6.861 11.279 1.00 31.21 H new ATOM 0 HG23 VAL A 107 -13.026 7.962 10.586 1.00 31.21 H new ATOM 1634 N CYS A 108 -12.500 6.676 15.449 1.00 51.41 N ATOM 1635 CA CYS A 108 -11.877 6.260 16.700 1.00 11.34 C ATOM 1636 C CYS A 108 -11.839 4.739 16.809 1.00 4.42 C ATOM 1637 O CYS A 108 -12.879 4.085 16.881 1.00 12.44 O ATOM 1638 CB CYS A 108 -12.634 6.850 17.892 1.00 63.24 C ATOM 1639 SG CYS A 108 -14.424 6.608 17.822 1.00 52.44 S ATOM 0 H CYS A 108 -13.461 6.354 15.329 1.00 51.41 H new ATOM 0 HA CYS A 108 -10.853 6.633 16.709 1.00 11.34 H new ATOM 0 HB2 CYS A 108 -12.253 6.401 18.809 1.00 63.24 H new ATOM 0 HB3 CYS A 108 -12.424 7.918 17.949 1.00 63.24 H new ATOM 0 HG CYS A 108 -14.683 5.405 17.404 1.00 52.44 H new ATOM 1645 N TYR A 109 -10.633 4.183 16.819 1.00 65.24 N ATOM 1646 CA TYR A 109 -10.458 2.738 16.914 1.00 12.31 C ATOM 1647 C TYR A 109 -9.890 2.347 18.275 1.00 62.03 C ATOM 1648 O TYR A 109 -9.288 3.156 18.981 1.00 11.21 O ATOM 1649 CB TYR A 109 -9.535 2.240 15.801 1.00 41.31 C ATOM 1650 CG TYR A 109 -8.379 3.171 15.511 1.00 11.00 C ATOM 1651 CD1 TYR A 109 -8.527 4.244 14.640 1.00 32.32 C ATOM 1652 CD2 TYR A 109 -7.139 2.977 16.107 1.00 51.51 C ATOM 1653 CE1 TYR A 109 -7.474 5.096 14.372 1.00 41.43 C ATOM 1654 CE2 TYR A 109 -6.081 3.826 15.845 1.00 22.14 C ATOM 1655 CZ TYR A 109 -6.253 4.884 14.977 1.00 20.41 C ATOM 1656 OH TYR A 109 -5.201 5.730 14.713 1.00 43.21 O ATOM 0 H TYR A 109 -9.762 4.711 16.763 1.00 65.24 H new ATOM 0 HA TYR A 109 -11.436 2.271 16.801 1.00 12.31 H new ATOM 0 HB2 TYR A 109 -9.142 1.261 16.077 1.00 41.31 H new ATOM 0 HB3 TYR A 109 -10.118 2.104 14.890 1.00 41.31 H new ATOM 0 HD1 TYR A 109 -9.482 4.414 14.165 1.00 32.32 H new ATOM 0 HD2 TYR A 109 -7.000 2.149 16.786 1.00 51.51 H new ATOM 0 HE1 TYR A 109 -7.606 5.924 13.692 1.00 41.43 H new ATOM 0 HE2 TYR A 109 -5.124 3.662 16.318 1.00 22.14 H new ATOM 0 HH TYR A 109 -5.249 6.031 13.782 1.00 43.21 H new ATOM 1666 N PRO A 110 -10.084 1.075 18.652 1.00 20.40 N ATOM 1667 CA PRO A 110 -9.598 0.545 19.929 1.00 21.35 C ATOM 1668 C PRO A 110 -8.078 0.427 19.967 1.00 31.15 C ATOM 1669 O PRO A 110 -7.406 0.415 18.936 1.00 53.32 O ATOM 1670 CB PRO A 110 -10.244 -0.841 20.008 1.00 43.15 C ATOM 1671 CG PRO A 110 -10.489 -1.225 18.589 1.00 13.22 C ATOM 1672 CD PRO A 110 -10.793 0.055 17.860 1.00 4.03 C ATOM 0 HA PRO A 110 -9.853 1.197 20.764 1.00 21.35 H new ATOM 0 HB2 PRO A 110 -9.588 -1.556 20.504 1.00 43.15 H new ATOM 0 HB3 PRO A 110 -11.173 -0.813 20.577 1.00 43.15 H new ATOM 0 HG2 PRO A 110 -9.616 -1.719 18.162 1.00 13.22 H new ATOM 0 HG3 PRO A 110 -11.321 -1.925 18.512 1.00 13.22 H new ATOM 0 HD2 PRO A 110 -10.436 0.026 16.831 1.00 4.03 H new ATOM 0 HD3 PRO A 110 -11.865 0.250 17.820 1.00 4.03 H new ATOM 1680 N PRO A 111 -7.521 0.337 21.184 1.00 21.13 N ATOM 1681 CA PRO A 111 -6.074 0.217 21.385 1.00 2.35 C ATOM 1682 C PRO A 111 -5.535 -1.135 20.931 1.00 32.02 C ATOM 1683 O PRO A 111 -6.252 -2.136 20.942 1.00 13.41 O ATOM 1684 CB PRO A 111 -5.912 0.376 22.899 1.00 2.23 C ATOM 1685 CG PRO A 111 -7.220 -0.053 23.467 1.00 33.34 C ATOM 1686 CD PRO A 111 -8.261 0.344 22.457 1.00 1.34 C ATOM 0 HA PRO A 111 -5.520 0.953 20.803 1.00 2.35 H new ATOM 0 HB2 PRO A 111 -5.095 -0.240 23.277 1.00 2.23 H new ATOM 0 HB3 PRO A 111 -5.683 1.408 23.167 1.00 2.23 H new ATOM 0 HG2 PRO A 111 -7.236 -1.129 23.641 1.00 33.34 H new ATOM 0 HG3 PRO A 111 -7.405 0.428 24.427 1.00 33.34 H new ATOM 0 HD2 PRO A 111 -9.094 -0.359 22.441 1.00 1.34 H new ATOM 0 HD3 PRO A 111 -8.677 1.328 22.674 1.00 1.34 H new ATOM 1694 N VAL A 112 -4.267 -1.158 20.532 1.00 34.34 N ATOM 1695 CA VAL A 112 -3.632 -2.389 20.076 1.00 50.43 C ATOM 1696 C VAL A 112 -2.363 -2.679 20.869 1.00 10.01 C ATOM 1697 O VAL A 112 -1.375 -1.952 20.767 1.00 1.45 O ATOM 1698 CB VAL A 112 -3.282 -2.317 18.577 1.00 15.04 C ATOM 1699 CG1 VAL A 112 -2.834 -3.678 18.068 1.00 74.32 C ATOM 1700 CG2 VAL A 112 -4.470 -1.804 17.778 1.00 53.34 C ATOM 0 H VAL A 112 -3.660 -0.339 20.515 1.00 34.34 H new ATOM 0 HA VAL A 112 -4.349 -3.194 20.237 1.00 50.43 H new ATOM 0 HB VAL A 112 -2.456 -1.618 18.447 1.00 15.04 H new ATOM 0 HG11 VAL A 112 -2.591 -3.608 17.008 1.00 74.32 H new ATOM 0 HG12 VAL A 112 -1.953 -4.001 18.622 1.00 74.32 H new ATOM 0 HG13 VAL A 112 -3.637 -4.402 18.209 1.00 74.32 H new ATOM 0 HG21 VAL A 112 -4.206 -1.759 16.721 1.00 53.34 H new ATOM 0 HG22 VAL A 112 -5.317 -2.477 17.912 1.00 53.34 H new ATOM 0 HG23 VAL A 112 -4.740 -0.807 18.127 1.00 53.34 H new ATOM 1710 N ASP A 113 -2.397 -3.747 21.659 1.00 51.24 N ATOM 1711 CA ASP A 113 -1.249 -4.135 22.469 1.00 23.41 C ATOM 1712 C ASP A 113 -0.486 -5.283 21.815 1.00 25.12 C ATOM 1713 O ASP A 113 -1.084 -6.224 21.294 1.00 73.35 O ATOM 1714 CB ASP A 113 -1.702 -4.542 23.872 1.00 2.22 C ATOM 1715 CG ASP A 113 -2.373 -5.901 23.893 1.00 52.22 C ATOM 1716 OD1 ASP A 113 -3.436 -6.048 23.253 1.00 44.03 O ATOM 1717 OD2 ASP A 113 -1.836 -6.818 24.548 1.00 1.34 O ATOM 0 H ASP A 113 -3.207 -4.359 21.755 1.00 51.24 H new ATOM 0 HA ASP A 113 -0.583 -3.276 22.546 1.00 23.41 H new ATOM 0 HB2 ASP A 113 -0.840 -4.555 24.539 1.00 2.22 H new ATOM 0 HB3 ASP A 113 -2.393 -3.793 24.259 1.00 2.22 H new ATOM 1722 N THR A 114 0.841 -5.198 21.846 1.00 70.54 N ATOM 1723 CA THR A 114 1.686 -6.228 21.254 1.00 2.12 C ATOM 1724 C THR A 114 2.968 -6.415 22.058 1.00 61.24 C ATOM 1725 O THR A 114 3.698 -5.457 22.310 1.00 63.52 O ATOM 1726 CB THR A 114 2.052 -5.886 19.798 1.00 41.15 C ATOM 1727 OG1 THR A 114 1.380 -4.688 19.392 1.00 63.21 O ATOM 1728 CG2 THR A 114 1.676 -7.026 18.863 1.00 13.21 C ATOM 0 H THR A 114 1.353 -4.427 22.275 1.00 70.54 H new ATOM 0 HA THR A 114 1.112 -7.155 21.268 1.00 2.12 H new ATOM 0 HB THR A 114 3.130 -5.734 19.744 1.00 41.15 H new ATOM 0 HG1 THR A 114 2.019 -3.945 19.373 1.00 63.21 H new ATOM 0 HG21 THR A 114 1.944 -6.761 17.840 1.00 13.21 H new ATOM 0 HG22 THR A 114 2.212 -7.929 19.156 1.00 13.21 H new ATOM 0 HG23 THR A 114 0.603 -7.206 18.922 1.00 13.21 H new ATOM 1736 N GLU A 115 3.236 -7.655 22.456 1.00 14.00 N ATOM 1737 CA GLU A 115 4.431 -7.966 23.231 1.00 34.44 C ATOM 1738 C GLU A 115 5.474 -8.666 22.365 1.00 2.13 C ATOM 1739 O GLU A 115 5.140 -9.493 21.516 1.00 14.45 O ATOM 1740 CB GLU A 115 4.073 -8.848 24.430 1.00 53.22 C ATOM 1741 CG GLU A 115 3.348 -8.103 25.538 1.00 33.02 C ATOM 1742 CD GLU A 115 1.904 -7.797 25.188 1.00 23.14 C ATOM 1743 OE1 GLU A 115 1.288 -8.602 24.459 1.00 32.34 O ATOM 1744 OE2 GLU A 115 1.392 -6.753 25.643 1.00 75.31 O ATOM 0 H GLU A 115 2.642 -8.459 22.255 1.00 14.00 H new ATOM 0 HA GLU A 115 4.853 -7.028 23.592 1.00 34.44 H new ATOM 0 HB2 GLU A 115 3.448 -9.674 24.089 1.00 53.22 H new ATOM 0 HB3 GLU A 115 4.986 -9.285 24.834 1.00 53.22 H new ATOM 0 HG2 GLU A 115 3.378 -8.698 26.451 1.00 33.02 H new ATOM 0 HG3 GLU A 115 3.873 -7.171 25.747 1.00 33.02 H new ATOM 1751 N PHE A 116 6.740 -8.328 22.586 1.00 43.23 N ATOM 1752 CA PHE A 116 7.834 -8.921 21.825 1.00 73.40 C ATOM 1753 C PHE A 116 8.866 -9.550 22.757 1.00 41.35 C ATOM 1754 O PHE A 116 9.344 -8.909 23.693 1.00 62.30 O ATOM 1755 CB PHE A 116 8.502 -7.865 20.943 1.00 1.31 C ATOM 1756 CG PHE A 116 7.540 -7.129 20.055 1.00 13.11 C ATOM 1757 CD1 PHE A 116 6.693 -7.821 19.205 1.00 62.54 C ATOM 1758 CD2 PHE A 116 7.482 -5.745 20.071 1.00 40.43 C ATOM 1759 CE1 PHE A 116 5.806 -7.148 18.386 1.00 1.54 C ATOM 1760 CE2 PHE A 116 6.597 -5.065 19.255 1.00 32.32 C ATOM 1761 CZ PHE A 116 5.759 -5.768 18.411 1.00 13.52 C ATOM 0 H PHE A 116 7.034 -7.647 23.286 1.00 43.23 H new ATOM 0 HA PHE A 116 7.419 -9.704 21.190 1.00 73.40 H new ATOM 0 HB2 PHE A 116 9.019 -7.147 21.579 1.00 1.31 H new ATOM 0 HB3 PHE A 116 9.259 -8.346 20.324 1.00 1.31 H new ATOM 0 HD1 PHE A 116 6.726 -8.900 19.182 1.00 62.54 H new ATOM 0 HD2 PHE A 116 8.136 -5.191 20.728 1.00 40.43 H new ATOM 0 HE1 PHE A 116 5.151 -7.700 17.728 1.00 1.54 H new ATOM 0 HE2 PHE A 116 6.561 -3.986 19.277 1.00 32.32 H new ATOM 0 HZ PHE A 116 5.068 -5.239 17.772 1.00 13.52 H new ATOM 1771 N ASP A 117 9.204 -10.807 22.493 1.00 43.14 N ATOM 1772 CA ASP A 117 10.180 -11.523 23.306 1.00 21.01 C ATOM 1773 C ASP A 117 11.599 -11.250 22.818 1.00 64.43 C ATOM 1774 O ASP A 117 11.965 -11.623 21.702 1.00 33.25 O ATOM 1775 CB ASP A 117 9.897 -13.026 23.276 1.00 52.35 C ATOM 1776 CG ASP A 117 8.662 -13.398 24.073 1.00 25.50 C ATOM 1777 OD1 ASP A 117 7.966 -12.479 24.551 1.00 75.30 O ATOM 1778 OD2 ASP A 117 8.394 -14.609 24.220 1.00 31.40 O ATOM 0 H ASP A 117 8.817 -11.351 21.722 1.00 43.14 H new ATOM 0 HA ASP A 117 10.093 -11.166 24.332 1.00 21.01 H new ATOM 0 HB2 ASP A 117 9.770 -13.348 22.243 1.00 52.35 H new ATOM 0 HB3 ASP A 117 10.758 -13.563 23.674 1.00 52.35 H new ATOM 1783 N ILE A 118 12.394 -10.597 23.659 1.00 31.51 N ATOM 1784 CA ILE A 118 13.773 -10.275 23.313 1.00 75.23 C ATOM 1785 C ILE A 118 14.737 -11.319 23.866 1.00 72.14 C ATOM 1786 O ILE A 118 14.770 -11.573 25.070 1.00 71.21 O ATOM 1787 CB ILE A 118 14.177 -8.887 23.844 1.00 73.13 C ATOM 1788 CG1 ILE A 118 13.068 -7.869 23.569 1.00 34.35 C ATOM 1789 CG2 ILE A 118 15.484 -8.438 23.209 1.00 4.54 C ATOM 1790 CD1 ILE A 118 12.768 -7.684 22.098 1.00 2.34 C ATOM 0 H ILE A 118 12.107 -10.280 24.585 1.00 31.51 H new ATOM 0 HA ILE A 118 13.832 -10.270 22.225 1.00 75.23 H new ATOM 0 HB ILE A 118 14.323 -8.955 24.922 1.00 73.13 H new ATOM 0 HG12 ILE A 118 12.159 -8.187 24.080 1.00 34.35 H new ATOM 0 HG13 ILE A 118 13.354 -6.908 23.997 1.00 34.35 H new ATOM 0 HG21 ILE A 118 15.757 -7.455 23.594 1.00 4.54 H new ATOM 0 HG22 ILE A 118 16.270 -9.153 23.450 1.00 4.54 H new ATOM 0 HG23 ILE A 118 15.363 -8.383 22.127 1.00 4.54 H new ATOM 0 HD11 ILE A 118 11.972 -6.949 21.979 1.00 2.34 H new ATOM 0 HD12 ILE A 118 13.664 -7.335 21.585 1.00 2.34 H new ATOM 0 HD13 ILE A 118 12.451 -8.635 21.669 1.00 2.34 H new ATOM 1802 N PHE A 119 15.522 -11.920 22.978 1.00 71.41 N ATOM 1803 CA PHE A 119 16.489 -12.937 23.377 1.00 54.31 C ATOM 1804 C PHE A 119 17.639 -13.015 22.378 1.00 42.23 C ATOM 1805 O PHE A 119 18.233 -14.074 22.179 1.00 13.01 O ATOM 1806 CB PHE A 119 15.807 -14.301 23.494 1.00 33.42 C ATOM 1807 CG PHE A 119 14.735 -14.526 22.466 1.00 31.33 C ATOM 1808 CD1 PHE A 119 14.979 -14.278 21.125 1.00 4.44 C ATOM 1809 CD2 PHE A 119 13.483 -14.986 22.841 1.00 14.01 C ATOM 1810 CE1 PHE A 119 13.995 -14.484 20.177 1.00 44.12 C ATOM 1811 CE2 PHE A 119 12.495 -15.195 21.897 1.00 0.50 C ATOM 1812 CZ PHE A 119 12.751 -14.942 20.563 1.00 23.05 C ATOM 0 H PHE A 119 15.508 -11.721 21.978 1.00 71.41 H new ATOM 0 HA PHE A 119 16.894 -12.656 24.349 1.00 54.31 H new ATOM 0 HB2 PHE A 119 16.560 -15.084 23.400 1.00 33.42 H new ATOM 0 HB3 PHE A 119 15.371 -14.396 24.489 1.00 33.42 H new ATOM 0 HD1 PHE A 119 15.950 -13.919 20.817 1.00 4.44 H new ATOM 0 HD2 PHE A 119 13.277 -15.183 23.883 1.00 14.01 H new ATOM 0 HE1 PHE A 119 14.199 -14.287 19.135 1.00 44.12 H new ATOM 0 HE2 PHE A 119 11.524 -15.556 22.202 1.00 0.50 H new ATOM 0 HZ PHE A 119 11.980 -15.102 19.824 1.00 23.05 H new ATOM 1822 N GLY A 120 17.948 -11.884 21.750 1.00 4.13 N ATOM 1823 CA GLY A 120 19.026 -11.845 20.779 1.00 73.12 C ATOM 1824 C GLY A 120 18.533 -12.042 19.359 1.00 42.52 C ATOM 1825 O GLY A 120 18.182 -13.153 18.965 1.00 41.23 O ATOM 0 H GLY A 120 17.471 -10.994 21.897 1.00 4.13 H new ATOM 0 HA2 GLY A 120 19.542 -10.888 20.852 1.00 73.12 H new ATOM 0 HA3 GLY A 120 19.755 -12.619 21.018 1.00 73.12 H new ATOM 1829 N ASN A 121 18.506 -10.959 18.589 1.00 55.34 N ATOM 1830 CA ASN A 121 18.050 -11.017 17.204 1.00 12.24 C ATOM 1831 C ASN A 121 18.123 -9.641 16.550 1.00 55.34 C ATOM 1832 O ASN A 121 18.520 -9.512 15.393 1.00 63.45 O ATOM 1833 CB ASN A 121 16.617 -11.550 17.139 1.00 2.12 C ATOM 1834 CG ASN A 121 16.438 -12.595 16.055 1.00 61.00 C ATOM 1835 OD1 ASN A 121 17.173 -13.581 16.000 1.00 44.10 O ATOM 1836 ND2 ASN A 121 15.457 -12.383 15.186 1.00 71.25 N ATOM 0 H ASN A 121 18.794 -10.031 18.900 1.00 55.34 H new ATOM 0 HA ASN A 121 18.707 -11.694 16.659 1.00 12.24 H new ATOM 0 HB2 ASN A 121 16.348 -11.981 18.103 1.00 2.12 H new ATOM 0 HB3 ASN A 121 15.932 -10.722 16.958 1.00 2.12 H new ATOM 0 HD21 ASN A 121 15.288 -13.052 14.434 1.00 71.25 H new ATOM 0 HD22 ASN A 121 14.872 -11.552 15.270 1.00 71.25 H new ATOM 1843 N GLY A 122 17.735 -8.613 17.299 1.00 25.15 N ATOM 1844 CA GLY A 122 17.765 -7.260 16.776 1.00 53.02 C ATOM 1845 C GLY A 122 16.415 -6.812 16.253 1.00 54.54 C ATOM 1846 O GLY A 122 15.733 -6.002 16.882 1.00 2.34 O ATOM 0 H GLY A 122 17.400 -8.694 18.259 1.00 25.15 H new ATOM 0 HA2 GLY A 122 18.092 -6.578 17.560 1.00 53.02 H new ATOM 0 HA3 GLY A 122 18.500 -7.200 15.974 1.00 53.02 H new ATOM 1850 N THR A 123 16.026 -7.337 15.095 1.00 33.20 N ATOM 1851 CA THR A 123 14.750 -6.984 14.486 1.00 72.34 C ATOM 1852 C THR A 123 13.638 -7.914 14.960 1.00 42.52 C ATOM 1853 O THR A 123 13.800 -9.134 14.973 1.00 34.11 O ATOM 1854 CB THR A 123 14.827 -7.038 12.948 1.00 25.41 C ATOM 1855 OG1 THR A 123 16.189 -6.915 12.522 1.00 51.32 O ATOM 1856 CG2 THR A 123 13.993 -5.930 12.325 1.00 52.22 C ATOM 0 H THR A 123 16.577 -8.008 14.560 1.00 33.20 H new ATOM 0 HA THR A 123 14.524 -5.964 14.796 1.00 72.34 H new ATOM 0 HB THR A 123 14.429 -7.998 12.619 1.00 25.41 H new ATOM 0 HG1 THR A 123 16.230 -6.952 11.544 1.00 51.32 H new ATOM 0 HG21 THR A 123 14.063 -5.989 11.239 1.00 52.22 H new ATOM 0 HG22 THR A 123 12.952 -6.044 12.628 1.00 52.22 H new ATOM 0 HG23 THR A 123 14.365 -4.962 12.661 1.00 52.22 H new ATOM 1864 N TYR A 124 12.510 -7.329 15.348 1.00 44.11 N ATOM 1865 CA TYR A 124 11.372 -8.105 15.825 1.00 70.23 C ATOM 1866 C TYR A 124 10.061 -7.532 15.294 1.00 23.24 C ATOM 1867 O TYR A 124 9.924 -6.321 15.122 1.00 3.51 O ATOM 1868 CB TYR A 124 11.349 -8.129 17.354 1.00 61.50 C ATOM 1869 CG TYR A 124 12.621 -8.667 17.970 1.00 1.31 C ATOM 1870 CD1 TYR A 124 13.772 -7.890 18.025 1.00 71.32 C ATOM 1871 CD2 TYR A 124 12.672 -9.951 18.499 1.00 55.23 C ATOM 1872 CE1 TYR A 124 14.936 -8.378 18.586 1.00 3.51 C ATOM 1873 CE2 TYR A 124 13.831 -10.446 19.063 1.00 2.23 C ATOM 1874 CZ TYR A 124 14.961 -9.656 19.104 1.00 11.41 C ATOM 1875 OH TYR A 124 16.118 -10.144 19.665 1.00 25.14 O ATOM 0 H TYR A 124 12.360 -6.320 15.341 1.00 44.11 H new ATOM 0 HA TYR A 124 11.479 -9.124 15.454 1.00 70.23 H new ATOM 0 HB2 TYR A 124 11.176 -7.118 17.722 1.00 61.50 H new ATOM 0 HB3 TYR A 124 10.508 -8.738 17.687 1.00 61.50 H new ATOM 0 HD1 TYR A 124 13.756 -6.888 17.622 1.00 71.32 H new ATOM 0 HD2 TYR A 124 11.789 -10.573 18.468 1.00 55.23 H new ATOM 0 HE1 TYR A 124 15.822 -7.762 18.619 1.00 3.51 H new ATOM 0 HE2 TYR A 124 13.853 -11.446 19.470 1.00 2.23 H new ATOM 0 HH TYR A 124 15.914 -10.946 20.190 1.00 25.14 H new ATOM 1885 N HIS A 125 9.099 -8.413 15.038 1.00 50.43 N ATOM 1886 CA HIS A 125 7.797 -7.996 14.528 1.00 45.20 C ATOM 1887 C HIS A 125 6.687 -8.883 15.083 1.00 1.43 C ATOM 1888 O HIS A 125 6.902 -10.044 15.430 1.00 21.20 O ATOM 1889 CB HIS A 125 7.786 -8.041 13.000 1.00 63.33 C ATOM 1890 CG HIS A 125 9.018 -7.463 12.374 1.00 23.52 C ATOM 1891 ND1 HIS A 125 9.978 -8.233 11.752 1.00 63.31 N ATOM 1892 CD2 HIS A 125 9.444 -6.182 12.276 1.00 73.32 C ATOM 1893 CE1 HIS A 125 10.942 -7.451 11.299 1.00 13.24 C ATOM 1894 NE2 HIS A 125 10.641 -6.201 11.604 1.00 62.20 N ATOM 0 H HIS A 125 9.196 -9.419 15.175 1.00 50.43 H new ATOM 0 HA HIS A 125 7.617 -6.972 14.855 1.00 45.20 H new ATOM 0 HB2 HIS A 125 7.675 -9.076 12.676 1.00 63.33 H new ATOM 0 HB3 HIS A 125 6.914 -7.498 12.635 1.00 63.33 H new ATOM 0 HD2 HIS A 125 8.937 -5.308 12.656 1.00 73.32 H new ATOM 0 HE1 HIS A 125 11.825 -7.778 10.770 1.00 13.24 H new ATOM 0 HE2 HIS A 125 11.206 -5.383 11.377 1.00 62.20 H new ATOM 1902 N PRO A 126 5.471 -8.324 15.171 1.00 11.12 N ATOM 1903 CA PRO A 126 4.303 -9.046 15.684 1.00 20.30 C ATOM 1904 C PRO A 126 3.838 -10.144 14.734 1.00 75.51 C ATOM 1905 O PRO A 126 3.676 -9.913 13.536 1.00 30.11 O ATOM 1906 CB PRO A 126 3.236 -7.956 15.804 1.00 11.44 C ATOM 1907 CG PRO A 126 3.639 -6.920 14.812 1.00 30.11 C ATOM 1908 CD PRO A 126 5.142 -6.944 14.776 1.00 1.12 C ATOM 0 HA PRO A 126 4.519 -9.555 16.623 1.00 20.30 H new ATOM 0 HB2 PRO A 126 2.243 -8.348 15.585 1.00 11.44 H new ATOM 0 HB3 PRO A 126 3.201 -7.545 16.813 1.00 11.44 H new ATOM 0 HG2 PRO A 126 3.222 -7.138 13.829 1.00 30.11 H new ATOM 0 HG3 PRO A 126 3.271 -5.936 15.104 1.00 30.11 H new ATOM 0 HD2 PRO A 126 5.524 -6.709 13.783 1.00 1.12 H new ATOM 0 HD3 PRO A 126 5.572 -6.216 15.464 1.00 1.12 H new ATOM 1916 N GLN A 127 3.623 -11.339 15.277 1.00 45.33 N ATOM 1917 CA GLN A 127 3.177 -12.472 14.476 1.00 74.23 C ATOM 1918 C GLN A 127 1.656 -12.491 14.360 1.00 30.31 C ATOM 1919 O GLN A 127 1.012 -13.499 14.654 1.00 24.31 O ATOM 1920 CB GLN A 127 3.670 -13.784 15.090 1.00 53.52 C ATOM 1921 CG GLN A 127 5.113 -14.112 14.745 1.00 5.31 C ATOM 1922 CD GLN A 127 5.540 -15.475 15.254 1.00 55.25 C ATOM 1923 OE1 GLN A 127 5.391 -16.482 14.562 1.00 60.55 O ATOM 1924 NE2 GLN A 127 6.073 -15.513 16.469 1.00 61.51 N ATOM 0 H GLN A 127 3.751 -11.547 16.267 1.00 45.33 H new ATOM 0 HA GLN A 127 3.598 -12.366 13.476 1.00 74.23 H new ATOM 0 HB2 GLN A 127 3.568 -13.729 16.174 1.00 53.52 H new ATOM 0 HB3 GLN A 127 3.030 -14.598 14.750 1.00 53.52 H new ATOM 0 HG2 GLN A 127 5.241 -14.076 13.663 1.00 5.31 H new ATOM 0 HG3 GLN A 127 5.766 -13.349 15.169 1.00 5.31 H new ATOM 0 HE21 GLN A 127 6.177 -14.653 17.007 1.00 61.51 H new ATOM 0 HE22 GLN A 127 6.378 -16.402 16.864 1.00 61.51 H new ATOM 1933 N THR A 128 1.086 -11.370 13.930 1.00 11.21 N ATOM 1934 CA THR A 128 -0.359 -11.257 13.777 1.00 11.01 C ATOM 1935 C THR A 128 -0.738 -10.972 12.328 1.00 20.33 C ATOM 1936 O THR A 128 -1.769 -11.438 11.842 1.00 21.43 O ATOM 1937 CB THR A 128 -0.934 -10.145 14.674 1.00 1.42 C ATOM 1938 OG1 THR A 128 -0.132 -8.964 14.565 1.00 45.41 O ATOM 1939 CG2 THR A 128 -0.988 -10.594 16.126 1.00 31.44 C ATOM 0 H THR A 128 1.603 -10.527 13.681 1.00 11.21 H new ATOM 0 HA THR A 128 -0.784 -12.214 14.080 1.00 11.01 H new ATOM 0 HB THR A 128 -1.948 -9.928 14.339 1.00 1.42 H new ATOM 0 HG1 THR A 128 -0.505 -8.261 15.137 1.00 45.41 H new ATOM 0 HG21 THR A 128 -1.398 -9.792 16.740 1.00 31.44 H new ATOM 0 HG22 THR A 128 -1.623 -11.476 16.211 1.00 31.44 H new ATOM 0 HG23 THR A 128 0.018 -10.836 16.470 1.00 31.44 H new TER 1947 THR A 128