USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 785 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 32 TYR OH : rot -21:sc= -0.306! USER MOD Set 1.2: A 73 SER OG : rot -109:sc= 1.03 USER MOD Set 2.1: A 39 ASN : amide:sc= 0.396 K(o=1.2,f=-5.6!) USER MOD Set 2.2: A 80 LYS NZ :NH3+ -150:sc= 0.763 (180deg=0) USER MOD Set 3.1: A 7 ASN : amide:sc= -0.78 K(o=-2.2,f=-6.3!) USER MOD Set 3.2: A 10 LYS NZ :NH3+ -135:sc= -1.45! (180deg=-3.48!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0735 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00413) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc=-0.000644 (180deg=-0.0589) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.164 K(o=-0.16,f=-3.4!) USER MOD Single : A 27 MET CE :methyl 176:sc= -0.598 (180deg=-0.616) USER MOD Single : A 33 ASN : amide:sc= -0.0542 K(o=-0.054,f=-1.4!) USER MOD Single : A 38 LYS NZ :NH3+ -104:sc= -0.721 (180deg=-2.5!) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= 0.811 (180deg=0.458) USER MOD Single : A 41 MET CE :methyl -145:sc= -2.92 (180deg=-3.29!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.052) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc=-0.00698 X(o=-0.007,f=-0.0083) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0478 K(o=-0.048,f=-1.2) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0237) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 40:sc= 0.297 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.494 -9.696 11.713 1.00 21.00 N ATOM 2 CA GLY A 1 -9.664 -9.608 10.804 1.00 23.35 C ATOM 3 C GLY A 1 -9.922 -10.926 10.105 1.00 74.02 C ATOM 4 O GLY A 1 -9.455 -11.969 10.568 1.00 35.40 O ATOM 0 H1 GLY A 1 -8.742 -9.291 12.638 1.00 21.00 H new ATOM 0 H2 GLY A 1 -8.222 -10.693 11.833 1.00 21.00 H new ATOM 0 H3 GLY A 1 -7.697 -9.166 11.306 1.00 21.00 H new ATOM 0 HA2 GLY A 1 -10.547 -9.317 11.373 1.00 23.35 H new ATOM 0 HA3 GLY A 1 -9.492 -8.829 10.062 1.00 23.35 H new ATOM 10 N GLY A 2 -10.673 -10.879 8.988 1.00 61.12 N ATOM 11 CA GLY A 2 -10.972 -12.070 8.193 1.00 23.10 C ATOM 12 C GLY A 2 -9.838 -12.425 7.240 1.00 21.24 C ATOM 13 O GLY A 2 -8.661 -12.163 7.540 1.00 23.43 O ATOM 0 H GLY A 2 -11.083 -10.020 8.620 1.00 61.12 H new ATOM 0 HA2 GLY A 2 -11.161 -12.912 8.859 1.00 23.10 H new ATOM 0 HA3 GLY A 2 -11.886 -11.904 7.622 1.00 23.10 H new ATOM 17 N SER A 3 -10.201 -13.031 6.098 1.00 35.54 N ATOM 18 CA SER A 3 -9.250 -13.369 5.027 1.00 40.34 C ATOM 19 C SER A 3 -8.521 -12.096 4.528 1.00 31.13 C ATOM 20 O SER A 3 -9.164 -11.051 4.407 1.00 54.23 O ATOM 21 CB SER A 3 -10.016 -14.038 3.866 1.00 72.42 C ATOM 22 OG SER A 3 -10.664 -15.221 4.297 1.00 21.20 O ATOM 0 H SER A 3 -11.163 -13.301 5.891 1.00 35.54 H new ATOM 0 HA SER A 3 -8.500 -14.059 5.414 1.00 40.34 H new ATOM 0 HB2 SER A 3 -10.752 -13.342 3.464 1.00 72.42 H new ATOM 0 HB3 SER A 3 -9.324 -14.273 3.057 1.00 72.42 H new ATOM 0 HG SER A 3 -11.143 -15.625 3.543 1.00 21.20 H new ATOM 28 N PRO A 4 -7.171 -12.146 4.253 1.00 74.44 N ATOM 29 CA PRO A 4 -6.411 -10.968 3.729 1.00 11.23 C ATOM 30 C PRO A 4 -7.038 -10.367 2.448 1.00 13.22 C ATOM 31 O PRO A 4 -6.997 -9.150 2.239 1.00 34.53 O ATOM 32 CB PRO A 4 -4.989 -11.528 3.477 1.00 22.11 C ATOM 33 CG PRO A 4 -4.879 -12.702 4.405 1.00 1.31 C ATOM 34 CD PRO A 4 -6.268 -13.317 4.460 1.00 73.43 C ATOM 0 HA PRO A 4 -6.417 -10.134 4.431 1.00 11.23 H new ATOM 0 HB2 PRO A 4 -4.859 -11.830 2.438 1.00 22.11 H new ATOM 0 HB3 PRO A 4 -4.224 -10.781 3.690 1.00 22.11 H new ATOM 0 HG2 PRO A 4 -4.147 -13.422 4.040 1.00 1.31 H new ATOM 0 HG3 PRO A 4 -4.551 -12.388 5.396 1.00 1.31 H new ATOM 0 HD2 PRO A 4 -6.405 -14.072 3.686 1.00 73.43 H new ATOM 0 HD3 PRO A 4 -6.454 -13.804 5.417 1.00 73.43 H new ATOM 42 N ASP A 5 -7.643 -11.246 1.626 1.00 62.54 N ATOM 43 CA ASP A 5 -8.377 -10.865 0.408 1.00 24.11 C ATOM 44 C ASP A 5 -9.597 -9.971 0.740 1.00 15.21 C ATOM 45 O ASP A 5 -9.849 -8.963 0.069 1.00 40.11 O ATOM 46 CB ASP A 5 -8.807 -12.129 -0.366 1.00 32.51 C ATOM 47 CG ASP A 5 -9.540 -11.803 -1.678 1.00 63.23 C ATOM 48 OD1 ASP A 5 -8.861 -11.481 -2.685 1.00 63.24 O ATOM 49 OD2 ASP A 5 -10.791 -11.850 -1.711 1.00 12.21 O ATOM 0 H ASP A 5 -7.635 -12.252 1.793 1.00 62.54 H new ATOM 0 HA ASP A 5 -7.711 -10.278 -0.225 1.00 24.11 H new ATOM 0 HB2 ASP A 5 -7.926 -12.731 -0.587 1.00 32.51 H new ATOM 0 HB3 ASP A 5 -9.456 -12.734 0.267 1.00 32.51 H new ATOM 54 N GLU A 6 -10.338 -10.357 1.798 1.00 4.11 N ATOM 55 CA GLU A 6 -11.486 -9.585 2.323 1.00 23.12 C ATOM 56 C GLU A 6 -11.020 -8.207 2.797 1.00 61.42 C ATOM 57 O GLU A 6 -11.614 -7.188 2.440 1.00 50.33 O ATOM 58 CB GLU A 6 -12.176 -10.379 3.484 1.00 14.11 C ATOM 59 CG GLU A 6 -13.380 -9.683 4.199 1.00 53.53 C ATOM 60 CD GLU A 6 -12.987 -8.692 5.326 1.00 43.33 C ATOM 61 OE1 GLU A 6 -12.346 -9.124 6.305 1.00 34.03 O ATOM 62 OE2 GLU A 6 -13.319 -7.484 5.239 1.00 61.33 O ATOM 0 H GLU A 6 -10.157 -11.217 2.316 1.00 4.11 H new ATOM 0 HA GLU A 6 -12.217 -9.439 1.528 1.00 23.12 H new ATOM 0 HB2 GLU A 6 -12.524 -11.331 3.084 1.00 14.11 H new ATOM 0 HB3 GLU A 6 -11.420 -10.606 4.236 1.00 14.11 H new ATOM 0 HG2 GLU A 6 -13.967 -9.147 3.453 1.00 53.53 H new ATOM 0 HG3 GLU A 6 -14.027 -10.452 4.621 1.00 53.53 H new ATOM 69 N ASN A 7 -9.924 -8.210 3.579 1.00 0.32 N ATOM 70 CA ASN A 7 -9.353 -7.003 4.193 1.00 53.41 C ATOM 71 C ASN A 7 -9.024 -5.935 3.120 1.00 14.35 C ATOM 72 O ASN A 7 -9.336 -4.759 3.311 1.00 73.32 O ATOM 73 CB ASN A 7 -8.104 -7.385 5.038 1.00 70.42 C ATOM 74 CG ASN A 7 -8.445 -8.346 6.199 1.00 65.45 C ATOM 75 OD1 ASN A 7 -9.523 -8.276 6.795 1.00 54.11 O ATOM 76 ND2 ASN A 7 -7.544 -9.264 6.509 1.00 45.00 N ATOM 0 H ASN A 7 -9.407 -9.060 3.803 1.00 0.32 H new ATOM 0 HA ASN A 7 -10.091 -6.559 4.861 1.00 53.41 H new ATOM 0 HB2 ASN A 7 -7.361 -7.851 4.391 1.00 70.42 H new ATOM 0 HB3 ASN A 7 -7.652 -6.479 5.442 1.00 70.42 H new ATOM 0 HD21 ASN A 7 -7.734 -9.933 7.255 1.00 45.00 H new ATOM 0 HD22 ASN A 7 -6.660 -9.302 6.002 1.00 45.00 H new ATOM 83 N ILE A 8 -8.498 -6.393 1.965 1.00 71.32 N ATOM 84 CA ILE A 8 -8.223 -5.558 0.773 1.00 70.33 C ATOM 85 C ILE A 8 -9.453 -4.741 0.355 1.00 51.25 C ATOM 86 O ILE A 8 -9.379 -3.514 0.266 1.00 64.14 O ATOM 87 CB ILE A 8 -7.781 -6.478 -0.430 1.00 0.10 C ATOM 88 CG1 ILE A 8 -6.389 -7.098 -0.140 1.00 23.12 C ATOM 89 CG2 ILE A 8 -7.807 -5.747 -1.802 1.00 22.51 C ATOM 90 CD1 ILE A 8 -6.061 -8.307 -0.979 1.00 44.21 C ATOM 0 H ILE A 8 -8.247 -7.372 1.830 1.00 71.32 H new ATOM 0 HA ILE A 8 -7.424 -4.864 1.033 1.00 70.33 H new ATOM 0 HB ILE A 8 -8.516 -7.278 -0.512 1.00 0.10 H new ATOM 0 HG12 ILE A 8 -5.625 -6.338 -0.304 1.00 23.12 H new ATOM 0 HG13 ILE A 8 -6.341 -7.377 0.913 1.00 23.12 H new ATOM 0 HG21 ILE A 8 -7.492 -6.435 -2.587 1.00 22.51 H new ATOM 0 HG22 ILE A 8 -8.819 -5.398 -2.009 1.00 22.51 H new ATOM 0 HG23 ILE A 8 -7.128 -4.895 -1.773 1.00 22.51 H new ATOM 0 HD11 ILE A 8 -5.071 -8.677 -0.712 1.00 44.21 H new ATOM 0 HD12 ILE A 8 -6.801 -9.087 -0.798 1.00 44.21 H new ATOM 0 HD13 ILE A 8 -6.074 -8.032 -2.034 1.00 44.21 H new ATOM 102 N ALA A 9 -10.580 -5.450 0.145 1.00 45.11 N ATOM 103 CA ALA A 9 -11.834 -4.856 -0.341 1.00 15.32 C ATOM 104 C ALA A 9 -12.380 -3.813 0.653 1.00 43.53 C ATOM 105 O ALA A 9 -12.945 -2.806 0.242 1.00 54.10 O ATOM 106 CB ALA A 9 -12.867 -5.956 -0.613 1.00 0.15 C ATOM 0 H ALA A 9 -10.643 -6.455 0.309 1.00 45.11 H new ATOM 0 HA ALA A 9 -11.629 -4.335 -1.276 1.00 15.32 H new ATOM 0 HB1 ALA A 9 -13.792 -5.505 -0.973 1.00 0.15 H new ATOM 0 HB2 ALA A 9 -12.480 -6.640 -1.368 1.00 0.15 H new ATOM 0 HB3 ALA A 9 -13.065 -6.505 0.308 1.00 0.15 H new ATOM 112 N LYS A 10 -12.153 -4.057 1.961 1.00 51.32 N ATOM 113 CA LYS A 10 -12.632 -3.182 3.052 1.00 25.24 C ATOM 114 C LYS A 10 -11.813 -1.870 3.104 1.00 13.42 C ATOM 115 O LYS A 10 -12.375 -0.779 3.247 1.00 3.32 O ATOM 116 CB LYS A 10 -12.560 -3.972 4.390 1.00 3.30 C ATOM 117 CG LYS A 10 -13.152 -3.253 5.625 1.00 71.30 C ATOM 118 CD LYS A 10 -13.299 -4.169 6.876 1.00 72.22 C ATOM 119 CE LYS A 10 -11.965 -4.713 7.435 1.00 22.14 C ATOM 120 NZ LYS A 10 -11.389 -5.839 6.640 1.00 4.21 N ATOM 0 H LYS A 10 -11.631 -4.869 2.291 1.00 51.32 H new ATOM 0 HA LYS A 10 -13.667 -2.892 2.873 1.00 25.24 H new ATOM 0 HB2 LYS A 10 -13.082 -4.920 4.260 1.00 3.30 H new ATOM 0 HB3 LYS A 10 -11.516 -4.208 4.596 1.00 3.30 H new ATOM 0 HG2 LYS A 10 -12.516 -2.405 5.880 1.00 71.30 H new ATOM 0 HG3 LYS A 10 -14.131 -2.850 5.364 1.00 71.30 H new ATOM 0 HD2 LYS A 10 -13.806 -3.610 7.662 1.00 72.22 H new ATOM 0 HD3 LYS A 10 -13.941 -5.012 6.620 1.00 72.22 H new ATOM 0 HE2 LYS A 10 -11.240 -3.900 7.473 1.00 22.14 H new ATOM 0 HE3 LYS A 10 -12.122 -5.048 8.460 1.00 22.14 H new ATOM 0 HZ1 LYS A 10 -11.068 -6.590 7.284 1.00 4.21 H new ATOM 0 HZ2 LYS A 10 -12.115 -6.219 6.000 1.00 4.21 H new ATOM 0 HZ3 LYS A 10 -10.582 -5.493 6.082 1.00 4.21 H new ATOM 134 N PHE A 11 -10.482 -1.999 2.946 1.00 14.31 N ATOM 135 CA PHE A 11 -9.552 -0.843 2.870 1.00 71.23 C ATOM 136 C PHE A 11 -9.695 -0.097 1.531 1.00 22.44 C ATOM 137 O PHE A 11 -9.299 1.059 1.421 1.00 73.33 O ATOM 138 CB PHE A 11 -8.083 -1.292 3.106 1.00 52.11 C ATOM 139 CG PHE A 11 -7.829 -1.879 4.502 1.00 31.52 C ATOM 140 CD1 PHE A 11 -8.169 -1.156 5.651 1.00 31.02 C ATOM 141 CD2 PHE A 11 -7.278 -3.149 4.672 1.00 31.51 C ATOM 142 CE1 PHE A 11 -7.962 -1.687 6.908 1.00 74.02 C ATOM 143 CE2 PHE A 11 -7.079 -3.681 5.932 1.00 45.31 C ATOM 144 CZ PHE A 11 -7.419 -2.948 7.049 1.00 14.50 C ATOM 0 H PHE A 11 -10.016 -2.903 2.867 1.00 14.31 H new ATOM 0 HA PHE A 11 -9.822 -0.148 3.665 1.00 71.23 H new ATOM 0 HB2 PHE A 11 -7.816 -2.036 2.356 1.00 52.11 H new ATOM 0 HB3 PHE A 11 -7.424 -0.437 2.956 1.00 52.11 H new ATOM 0 HD1 PHE A 11 -8.599 -0.170 5.553 1.00 31.02 H new ATOM 0 HD2 PHE A 11 -7.002 -3.727 3.803 1.00 31.51 H new ATOM 0 HE1 PHE A 11 -8.226 -1.114 7.784 1.00 74.02 H new ATOM 0 HE2 PHE A 11 -6.658 -4.669 6.041 1.00 45.31 H new ATOM 0 HZ PHE A 11 -7.260 -3.361 8.034 1.00 14.50 H new ATOM 154 N GLU A 12 -10.212 -0.799 0.509 1.00 62.34 N ATOM 155 CA GLU A 12 -10.462 -0.238 -0.836 1.00 62.12 C ATOM 156 C GLU A 12 -11.697 0.696 -0.806 1.00 33.42 C ATOM 157 O GLU A 12 -11.719 1.722 -1.488 1.00 21.05 O ATOM 158 CB GLU A 12 -10.620 -1.418 -1.841 1.00 35.13 C ATOM 159 CG GLU A 12 -10.399 -1.085 -3.339 1.00 61.23 C ATOM 160 CD GLU A 12 -11.538 -0.296 -4.020 1.00 32.13 C ATOM 161 OE1 GLU A 12 -12.674 -0.819 -4.074 1.00 11.24 O ATOM 162 OE2 GLU A 12 -11.298 0.823 -4.536 1.00 5.41 O ATOM 0 H GLU A 12 -10.472 -1.782 0.591 1.00 62.34 H new ATOM 0 HA GLU A 12 -9.623 0.376 -1.163 1.00 62.12 H new ATOM 0 HB2 GLU A 12 -9.918 -2.203 -1.559 1.00 35.13 H new ATOM 0 HB3 GLU A 12 -11.622 -1.831 -1.728 1.00 35.13 H new ATOM 0 HG2 GLU A 12 -9.477 -0.512 -3.433 1.00 61.23 H new ATOM 0 HG3 GLU A 12 -10.252 -2.018 -3.883 1.00 61.23 H new ATOM 169 N LYS A 13 -12.707 0.340 0.015 1.00 50.13 N ATOM 170 CA LYS A 13 -13.889 1.204 0.271 1.00 32.32 C ATOM 171 C LYS A 13 -13.450 2.448 1.071 1.00 63.12 C ATOM 172 O LYS A 13 -13.890 3.572 0.803 1.00 24.02 O ATOM 173 CB LYS A 13 -14.979 0.420 1.058 1.00 32.11 C ATOM 174 CG LYS A 13 -15.423 -0.902 0.391 1.00 42.52 C ATOM 175 CD LYS A 13 -16.401 -1.736 1.256 1.00 11.34 C ATOM 176 CE LYS A 13 -16.530 -3.192 0.767 1.00 23.14 C ATOM 177 NZ LYS A 13 -16.989 -3.293 -0.641 1.00 71.42 N ATOM 0 H LYS A 13 -12.731 -0.547 0.518 1.00 50.13 H new ATOM 0 HA LYS A 13 -14.314 1.516 -0.683 1.00 32.32 H new ATOM 0 HB2 LYS A 13 -14.601 0.200 2.056 1.00 32.11 H new ATOM 0 HB3 LYS A 13 -15.852 1.061 1.182 1.00 32.11 H new ATOM 0 HG2 LYS A 13 -15.898 -0.676 -0.564 1.00 42.52 H new ATOM 0 HG3 LYS A 13 -14.540 -1.504 0.173 1.00 42.52 H new ATOM 0 HD2 LYS A 13 -16.058 -1.733 2.291 1.00 11.34 H new ATOM 0 HD3 LYS A 13 -17.384 -1.264 1.244 1.00 11.34 H new ATOM 0 HE2 LYS A 13 -15.565 -3.689 0.865 1.00 23.14 H new ATOM 0 HE3 LYS A 13 -17.230 -3.725 1.411 1.00 23.14 H new ATOM 0 HZ1 LYS A 13 -17.089 -4.295 -0.902 1.00 71.42 H new ATOM 0 HZ2 LYS A 13 -17.907 -2.815 -0.742 1.00 71.42 H new ATOM 0 HZ3 LYS A 13 -16.292 -2.840 -1.267 1.00 71.42 H new ATOM 191 N ALA A 14 -12.555 2.205 2.058 1.00 2.31 N ATOM 192 CA ALA A 14 -11.934 3.258 2.882 1.00 71.24 C ATOM 193 C ALA A 14 -11.007 4.159 2.047 1.00 12.13 C ATOM 194 O ALA A 14 -10.812 5.327 2.379 1.00 21.00 O ATOM 195 CB ALA A 14 -11.175 2.631 4.061 1.00 22.03 C ATOM 0 H ALA A 14 -12.245 1.265 2.303 1.00 2.31 H new ATOM 0 HA ALA A 14 -12.730 3.891 3.275 1.00 71.24 H new ATOM 0 HB1 ALA A 14 -10.721 3.419 4.662 1.00 22.03 H new ATOM 0 HB2 ALA A 14 -11.869 2.059 4.677 1.00 22.03 H new ATOM 0 HB3 ALA A 14 -10.396 1.970 3.682 1.00 22.03 H new ATOM 201 N TYR A 15 -10.438 3.586 0.966 1.00 0.33 N ATOM 202 CA TYR A 15 -9.588 4.307 -0.002 1.00 21.11 C ATOM 203 C TYR A 15 -10.416 5.321 -0.811 1.00 50.45 C ATOM 204 O TYR A 15 -9.925 6.397 -1.142 1.00 13.44 O ATOM 205 CB TYR A 15 -8.882 3.291 -0.947 1.00 61.54 C ATOM 206 CG TYR A 15 -8.178 3.915 -2.158 1.00 41.50 C ATOM 207 CD1 TYR A 15 -6.916 4.510 -2.047 1.00 54.34 C ATOM 208 CD2 TYR A 15 -8.796 3.933 -3.419 1.00 24.51 C ATOM 209 CE1 TYR A 15 -6.299 5.077 -3.136 1.00 64.40 C ATOM 210 CE2 TYR A 15 -8.174 4.506 -4.507 1.00 62.24 C ATOM 211 CZ TYR A 15 -6.926 5.078 -4.363 1.00 15.01 C ATOM 212 OH TYR A 15 -6.301 5.661 -5.449 1.00 41.42 O ATOM 0 H TYR A 15 -10.558 2.599 0.739 1.00 0.33 H new ATOM 0 HA TYR A 15 -8.828 4.862 0.547 1.00 21.11 H new ATOM 0 HB2 TYR A 15 -8.149 2.729 -0.369 1.00 61.54 H new ATOM 0 HB3 TYR A 15 -9.622 2.575 -1.305 1.00 61.54 H new ATOM 0 HD1 TYR A 15 -6.418 4.524 -1.089 1.00 54.34 H new ATOM 0 HD2 TYR A 15 -9.774 3.491 -3.538 1.00 24.51 H new ATOM 0 HE1 TYR A 15 -5.321 5.523 -3.030 1.00 64.40 H new ATOM 0 HE2 TYR A 15 -8.662 4.508 -5.470 1.00 62.24 H new ATOM 0 HH TYR A 15 -6.874 5.577 -6.240 1.00 41.42 H new ATOM 222 N LYS A 16 -11.658 4.945 -1.158 1.00 51.34 N ATOM 223 CA LYS A 16 -12.574 5.825 -1.912 1.00 72.54 C ATOM 224 C LYS A 16 -13.026 7.031 -1.053 1.00 23.20 C ATOM 225 O LYS A 16 -13.174 8.151 -1.559 1.00 14.43 O ATOM 226 CB LYS A 16 -13.795 5.017 -2.393 1.00 64.13 C ATOM 227 CG LYS A 16 -13.463 3.879 -3.383 1.00 51.11 C ATOM 228 CD LYS A 16 -14.735 3.134 -3.830 1.00 74.44 C ATOM 229 CE LYS A 16 -14.463 2.067 -4.885 1.00 15.22 C ATOM 230 NZ LYS A 16 -15.709 1.385 -5.327 1.00 14.34 N ATOM 0 H LYS A 16 -12.055 4.034 -0.928 1.00 51.34 H new ATOM 0 HA LYS A 16 -12.040 6.217 -2.778 1.00 72.54 H new ATOM 0 HB2 LYS A 16 -14.297 4.590 -1.525 1.00 64.13 H new ATOM 0 HB3 LYS A 16 -14.502 5.699 -2.867 1.00 64.13 H new ATOM 0 HG2 LYS A 16 -12.955 4.290 -4.255 1.00 51.11 H new ATOM 0 HG3 LYS A 16 -12.774 3.177 -2.914 1.00 51.11 H new ATOM 0 HD2 LYS A 16 -15.200 2.668 -2.961 1.00 74.44 H new ATOM 0 HD3 LYS A 16 -15.451 3.854 -4.226 1.00 74.44 H new ATOM 0 HE2 LYS A 16 -13.976 2.525 -5.746 1.00 15.22 H new ATOM 0 HE3 LYS A 16 -13.770 1.329 -4.482 1.00 15.22 H new ATOM 0 HZ1 LYS A 16 -15.477 0.668 -6.044 1.00 14.34 H new ATOM 0 HZ2 LYS A 16 -16.161 0.925 -4.511 1.00 14.34 H new ATOM 0 HZ3 LYS A 16 -16.361 2.084 -5.735 1.00 14.34 H new ATOM 244 N LYS A 17 -13.229 6.772 0.254 1.00 63.30 N ATOM 245 CA LYS A 17 -13.579 7.803 1.257 1.00 3.32 C ATOM 246 C LYS A 17 -12.356 8.721 1.486 1.00 41.31 C ATOM 247 O LYS A 17 -12.487 9.949 1.607 1.00 65.42 O ATOM 248 CB LYS A 17 -14.052 7.097 2.573 1.00 24.22 C ATOM 249 CG LYS A 17 -14.805 7.992 3.602 1.00 5.14 C ATOM 250 CD LYS A 17 -13.896 8.913 4.450 1.00 2.31 C ATOM 251 CE LYS A 17 -14.691 9.757 5.466 1.00 73.43 C ATOM 252 NZ LYS A 17 -15.376 8.919 6.488 1.00 14.11 N ATOM 0 H LYS A 17 -13.155 5.834 0.649 1.00 63.30 H new ATOM 0 HA LYS A 17 -14.399 8.429 0.906 1.00 3.32 H new ATOM 0 HB2 LYS A 17 -14.703 6.266 2.301 1.00 24.22 H new ATOM 0 HB3 LYS A 17 -13.178 6.670 3.065 1.00 24.22 H new ATOM 0 HG2 LYS A 17 -15.525 8.610 3.066 1.00 5.14 H new ATOM 0 HG3 LYS A 17 -15.374 7.349 4.273 1.00 5.14 H new ATOM 0 HD2 LYS A 17 -13.164 8.305 4.982 1.00 2.31 H new ATOM 0 HD3 LYS A 17 -13.339 9.577 3.789 1.00 2.31 H new ATOM 0 HE2 LYS A 17 -14.015 10.452 5.964 1.00 73.43 H new ATOM 0 HE3 LYS A 17 -15.431 10.356 4.936 1.00 73.43 H new ATOM 0 HZ1 LYS A 17 -15.797 9.533 7.214 1.00 14.11 H new ATOM 0 HZ2 LYS A 17 -16.124 8.358 6.032 1.00 14.11 H new ATOM 0 HZ3 LYS A 17 -14.686 8.280 6.932 1.00 14.11 H new ATOM 266 N ALA A 18 -11.171 8.083 1.510 1.00 14.43 N ATOM 267 CA ALA A 18 -9.870 8.754 1.621 1.00 54.02 C ATOM 268 C ALA A 18 -9.670 9.748 0.456 1.00 12.33 C ATOM 269 O ALA A 18 -9.308 10.905 0.660 1.00 71.12 O ATOM 270 CB ALA A 18 -8.759 7.704 1.601 1.00 15.03 C ATOM 0 H ALA A 18 -11.094 7.068 1.451 1.00 14.43 H new ATOM 0 HA ALA A 18 -9.837 9.310 2.558 1.00 54.02 H new ATOM 0 HB1 ALA A 18 -7.791 8.197 1.683 1.00 15.03 H new ATOM 0 HB2 ALA A 18 -8.890 7.020 2.439 1.00 15.03 H new ATOM 0 HB3 ALA A 18 -8.803 7.145 0.666 1.00 15.03 H new ATOM 276 N GLU A 19 -9.970 9.249 -0.759 1.00 5.20 N ATOM 277 CA GLU A 19 -9.826 9.979 -2.026 1.00 63.22 C ATOM 278 C GLU A 19 -10.786 11.179 -2.067 1.00 10.14 C ATOM 279 O GLU A 19 -10.406 12.276 -2.487 1.00 74.51 O ATOM 280 CB GLU A 19 -10.081 8.981 -3.206 1.00 40.02 C ATOM 281 CG GLU A 19 -9.837 9.520 -4.647 1.00 0.34 C ATOM 282 CD GLU A 19 -10.911 10.500 -5.174 1.00 55.40 C ATOM 283 OE1 GLU A 19 -12.114 10.151 -5.123 1.00 34.43 O ATOM 284 OE2 GLU A 19 -10.561 11.611 -5.654 1.00 24.50 O ATOM 0 H GLU A 19 -10.328 8.302 -0.886 1.00 5.20 H new ATOM 0 HA GLU A 19 -8.817 10.382 -2.120 1.00 63.22 H new ATOM 0 HB2 GLU A 19 -9.444 8.109 -3.057 1.00 40.02 H new ATOM 0 HB3 GLU A 19 -11.113 8.636 -3.142 1.00 40.02 H new ATOM 0 HG2 GLU A 19 -8.869 10.020 -4.672 1.00 0.34 H new ATOM 0 HG3 GLU A 19 -9.776 8.672 -5.329 1.00 0.34 H new ATOM 291 N GLU A 20 -12.017 10.946 -1.586 1.00 32.23 N ATOM 292 CA GLU A 20 -13.117 11.911 -1.620 1.00 70.20 C ATOM 293 C GLU A 20 -12.754 13.215 -0.881 1.00 34.53 C ATOM 294 O GLU A 20 -13.058 14.316 -1.349 1.00 34.25 O ATOM 295 CB GLU A 20 -14.364 11.254 -0.973 1.00 21.15 C ATOM 296 CG GLU A 20 -15.650 12.056 -1.151 1.00 33.32 C ATOM 297 CD GLU A 20 -16.824 11.491 -0.348 1.00 13.24 C ATOM 298 OE1 GLU A 20 -17.407 10.459 -0.761 1.00 20.50 O ATOM 299 OE2 GLU A 20 -17.159 12.062 0.717 1.00 21.12 O ATOM 0 H GLU A 20 -12.277 10.060 -1.153 1.00 32.23 H new ATOM 0 HA GLU A 20 -13.323 12.179 -2.656 1.00 70.20 H new ATOM 0 HB2 GLU A 20 -14.504 10.262 -1.403 1.00 21.15 H new ATOM 0 HB3 GLU A 20 -14.178 11.116 0.092 1.00 21.15 H new ATOM 0 HG2 GLU A 20 -15.473 13.088 -0.848 1.00 33.32 H new ATOM 0 HG3 GLU A 20 -15.916 12.076 -2.208 1.00 33.32 H new ATOM 306 N LEU A 21 -12.068 13.062 0.260 1.00 31.44 N ATOM 307 CA LEU A 21 -11.681 14.193 1.126 1.00 15.23 C ATOM 308 C LEU A 21 -10.253 14.685 0.816 1.00 44.43 C ATOM 309 O LEU A 21 -9.705 15.492 1.579 1.00 4.31 O ATOM 310 CB LEU A 21 -11.813 13.779 2.616 1.00 5.21 C ATOM 311 CG LEU A 21 -13.210 13.250 3.073 1.00 22.03 C ATOM 312 CD1 LEU A 21 -13.206 12.932 4.581 1.00 21.12 C ATOM 313 CD2 LEU A 21 -14.343 14.240 2.710 1.00 14.14 C ATOM 0 H LEU A 21 -11.764 12.154 0.611 1.00 31.44 H new ATOM 0 HA LEU A 21 -12.356 15.025 0.925 1.00 15.23 H new ATOM 0 HB2 LEU A 21 -11.072 13.007 2.822 1.00 5.21 H new ATOM 0 HB3 LEU A 21 -11.556 14.640 3.233 1.00 5.21 H new ATOM 0 HG LEU A 21 -13.408 12.325 2.532 1.00 22.03 H new ATOM 0 HD11 LEU A 21 -14.188 12.565 4.878 1.00 21.12 H new ATOM 0 HD12 LEU A 21 -12.456 12.170 4.790 1.00 21.12 H new ATOM 0 HD13 LEU A 21 -12.971 13.836 5.143 1.00 21.12 H new ATOM 0 HD21 LEU A 21 -15.299 13.837 3.044 1.00 14.14 H new ATOM 0 HD22 LEU A 21 -14.161 15.196 3.200 1.00 14.14 H new ATOM 0 HD23 LEU A 21 -14.368 14.385 1.630 1.00 14.14 H new ATOM 325 N ASN A 22 -9.673 14.202 -0.313 1.00 75.42 N ATOM 326 CA ASN A 22 -8.315 14.586 -0.806 1.00 70.51 C ATOM 327 C ASN A 22 -7.205 14.153 0.174 1.00 43.12 C ATOM 328 O ASN A 22 -6.073 14.672 0.133 1.00 44.13 O ATOM 329 CB ASN A 22 -8.232 16.121 -1.106 1.00 42.02 C ATOM 330 CG ASN A 22 -9.182 16.571 -2.215 1.00 32.41 C ATOM 331 OD1 ASN A 22 -8.815 16.626 -3.390 1.00 12.42 O ATOM 332 ND2 ASN A 22 -10.411 16.903 -1.865 1.00 60.34 N ATOM 0 H ASN A 22 -10.138 13.525 -0.918 1.00 75.42 H new ATOM 0 HA ASN A 22 -8.151 14.051 -1.741 1.00 70.51 H new ATOM 0 HB2 ASN A 22 -8.459 16.675 -0.195 1.00 42.02 H new ATOM 0 HB3 ASN A 22 -7.210 16.375 -1.387 1.00 42.02 H new ATOM 0 HD21 ASN A 22 -11.077 17.212 -2.573 1.00 60.34 H new ATOM 0 HD22 ASN A 22 -10.694 16.850 -0.887 1.00 60.34 H new ATOM 339 N GLN A 23 -7.524 13.148 1.004 1.00 54.15 N ATOM 340 CA GLN A 23 -6.621 12.628 2.046 1.00 24.43 C ATOM 341 C GLN A 23 -5.654 11.606 1.432 1.00 32.54 C ATOM 342 O GLN A 23 -5.933 10.398 1.421 1.00 23.13 O ATOM 343 CB GLN A 23 -7.437 11.979 3.204 1.00 75.35 C ATOM 344 CG GLN A 23 -8.496 12.890 3.858 1.00 74.45 C ATOM 345 CD GLN A 23 -7.943 14.046 4.700 1.00 33.41 C ATOM 346 OE1 GLN A 23 -6.833 14.543 4.491 1.00 12.41 O ATOM 347 NE2 GLN A 23 -8.737 14.513 5.650 1.00 32.35 N ATOM 0 H GLN A 23 -8.424 12.668 0.972 1.00 54.15 H new ATOM 0 HA GLN A 23 -6.046 13.456 2.459 1.00 24.43 H new ATOM 0 HB2 GLN A 23 -7.935 11.089 2.820 1.00 75.35 H new ATOM 0 HB3 GLN A 23 -6.741 11.648 3.975 1.00 75.35 H new ATOM 0 HG2 GLN A 23 -9.128 13.305 3.073 1.00 74.45 H new ATOM 0 HG3 GLN A 23 -9.137 12.276 4.491 1.00 74.45 H new ATOM 0 HE21 GLN A 23 -9.651 14.087 5.806 1.00 32.35 H new ATOM 0 HE22 GLN A 23 -8.435 15.299 6.226 1.00 32.35 H new ATOM 356 N GLY A 24 -4.548 12.115 0.867 1.00 22.12 N ATOM 357 CA GLY A 24 -3.494 11.260 0.337 1.00 54.31 C ATOM 358 C GLY A 24 -2.845 10.410 1.427 1.00 21.22 C ATOM 359 O GLY A 24 -2.396 9.304 1.172 1.00 53.13 O ATOM 0 H GLY A 24 -4.368 13.114 0.769 1.00 22.12 H new ATOM 0 HA2 GLY A 24 -3.908 10.608 -0.432 1.00 54.31 H new ATOM 0 HA3 GLY A 24 -2.734 11.877 -0.143 1.00 54.31 H new ATOM 363 N GLU A 25 -2.812 10.953 2.661 1.00 42.04 N ATOM 364 CA GLU A 25 -2.322 10.248 3.859 1.00 73.44 C ATOM 365 C GLU A 25 -3.063 8.906 4.033 1.00 14.35 C ATOM 366 O GLU A 25 -2.436 7.850 4.124 1.00 2.03 O ATOM 367 CB GLU A 25 -2.525 11.159 5.095 1.00 10.13 C ATOM 368 CG GLU A 25 -2.008 10.567 6.413 1.00 32.25 C ATOM 369 CD GLU A 25 -2.266 11.483 7.618 1.00 54.15 C ATOM 370 OE1 GLU A 25 -1.505 12.460 7.808 1.00 20.41 O ATOM 371 OE2 GLU A 25 -3.240 11.244 8.367 1.00 73.23 O ATOM 0 H GLU A 25 -3.129 11.903 2.854 1.00 42.04 H new ATOM 0 HA GLU A 25 -1.260 10.027 3.749 1.00 73.44 H new ATOM 0 HB2 GLU A 25 -2.023 12.110 4.916 1.00 10.13 H new ATOM 0 HB3 GLU A 25 -3.588 11.375 5.201 1.00 10.13 H new ATOM 0 HG2 GLU A 25 -2.487 9.603 6.586 1.00 32.25 H new ATOM 0 HG3 GLU A 25 -0.938 10.380 6.327 1.00 32.25 H new ATOM 378 N LEU A 26 -4.406 8.983 4.000 1.00 1.51 N ATOM 379 CA LEU A 26 -5.295 7.815 4.126 1.00 65.54 C ATOM 380 C LEU A 26 -5.174 6.883 2.894 1.00 52.03 C ATOM 381 O LEU A 26 -5.189 5.665 3.046 1.00 75.42 O ATOM 382 CB LEU A 26 -6.769 8.272 4.330 1.00 44.05 C ATOM 383 CG LEU A 26 -7.170 8.787 5.749 1.00 63.40 C ATOM 384 CD1 LEU A 26 -8.605 9.368 5.742 1.00 22.21 C ATOM 385 CD2 LEU A 26 -7.051 7.663 6.791 1.00 31.11 C ATOM 0 H LEU A 26 -4.907 9.864 3.884 1.00 1.51 H new ATOM 0 HA LEU A 26 -4.984 7.247 5.003 1.00 65.54 H new ATOM 0 HB2 LEU A 26 -6.979 9.065 3.612 1.00 44.05 H new ATOM 0 HB3 LEU A 26 -7.420 7.434 4.079 1.00 44.05 H new ATOM 0 HG LEU A 26 -6.480 9.585 6.023 1.00 63.40 H new ATOM 0 HD11 LEU A 26 -8.860 9.720 6.742 1.00 22.21 H new ATOM 0 HD12 LEU A 26 -8.657 10.200 5.040 1.00 22.21 H new ATOM 0 HD13 LEU A 26 -9.310 8.594 5.439 1.00 22.21 H new ATOM 0 HD21 LEU A 26 -7.335 8.044 7.772 1.00 31.11 H new ATOM 0 HD22 LEU A 26 -7.712 6.841 6.516 1.00 31.11 H new ATOM 0 HD23 LEU A 26 -6.022 7.306 6.825 1.00 31.11 H new ATOM 397 N MET A 27 -5.053 7.476 1.677 1.00 61.01 N ATOM 398 CA MET A 27 -4.946 6.700 0.413 1.00 12.34 C ATOM 399 C MET A 27 -3.645 5.884 0.352 1.00 53.13 C ATOM 400 O MET A 27 -3.645 4.747 -0.124 1.00 24.35 O ATOM 401 CB MET A 27 -5.036 7.615 -0.839 1.00 44.14 C ATOM 402 CG MET A 27 -6.407 8.256 -1.083 1.00 64.33 C ATOM 403 SD MET A 27 -6.593 8.906 -2.760 1.00 11.42 S ATOM 404 CE MET A 27 -5.135 9.928 -2.924 1.00 13.25 C ATOM 0 H MET A 27 -5.027 8.487 1.545 1.00 61.01 H new ATOM 0 HA MET A 27 -5.793 6.014 0.408 1.00 12.34 H new ATOM 0 HB2 MET A 27 -4.294 8.408 -0.744 1.00 44.14 H new ATOM 0 HB3 MET A 27 -4.765 7.029 -1.717 1.00 44.14 H new ATOM 0 HG2 MET A 27 -7.186 7.517 -0.897 1.00 64.33 H new ATOM 0 HG3 MET A 27 -6.557 9.064 -0.367 1.00 64.33 H new ATOM 0 HE1 MET A 27 -5.086 10.333 -3.935 1.00 13.25 H new ATOM 0 HE2 MET A 27 -5.183 10.748 -2.207 1.00 13.25 H new ATOM 0 HE3 MET A 27 -4.246 9.328 -2.730 1.00 13.25 H new ATOM 414 N GLY A 28 -2.555 6.493 0.839 1.00 51.52 N ATOM 415 CA GLY A 28 -1.243 5.856 0.874 1.00 22.01 C ATOM 416 C GLY A 28 -1.239 4.670 1.820 1.00 21.10 C ATOM 417 O GLY A 28 -0.781 3.587 1.460 1.00 45.34 O ATOM 0 H GLY A 28 -2.564 7.440 1.218 1.00 51.52 H new ATOM 0 HA2 GLY A 28 -0.968 5.527 -0.128 1.00 22.01 H new ATOM 0 HA3 GLY A 28 -0.492 6.580 1.190 1.00 22.01 H new ATOM 421 N ARG A 29 -1.807 4.886 3.029 1.00 41.31 N ATOM 422 CA ARG A 29 -1.970 3.836 4.053 1.00 32.54 C ATOM 423 C ARG A 29 -2.866 2.697 3.534 1.00 11.11 C ATOM 424 O ARG A 29 -2.634 1.533 3.850 1.00 74.24 O ATOM 425 CB ARG A 29 -2.589 4.435 5.347 1.00 44.51 C ATOM 426 CG ARG A 29 -1.696 5.461 6.080 1.00 41.33 C ATOM 427 CD ARG A 29 -2.403 6.087 7.301 1.00 11.03 C ATOM 428 NE ARG A 29 -1.569 7.097 7.988 1.00 25.10 N ATOM 429 CZ ARG A 29 -1.991 7.908 8.976 1.00 52.22 C ATOM 430 NH1 ARG A 29 -3.246 7.843 9.423 1.00 10.32 N ATOM 431 NH2 ARG A 29 -1.146 8.787 9.512 1.00 50.30 N ATOM 0 H ARG A 29 -2.165 5.796 3.319 1.00 41.31 H new ATOM 0 HA ARG A 29 -0.983 3.431 4.278 1.00 32.54 H new ATOM 0 HB2 ARG A 29 -3.534 4.914 5.092 1.00 44.51 H new ATOM 0 HB3 ARG A 29 -2.820 3.620 6.033 1.00 44.51 H new ATOM 0 HG2 ARG A 29 -0.778 4.973 6.406 1.00 41.33 H new ATOM 0 HG3 ARG A 29 -1.408 6.250 5.386 1.00 41.33 H new ATOM 0 HD2 ARG A 29 -3.335 6.551 6.978 1.00 11.03 H new ATOM 0 HD3 ARG A 29 -2.667 5.299 8.006 1.00 11.03 H new ATOM 0 HE ARG A 29 -0.598 7.186 7.690 1.00 25.10 H new ATOM 0 HH11 ARG A 29 -3.898 7.173 9.016 1.00 10.32 H new ATOM 0 HH12 ARG A 29 -3.553 8.463 10.172 1.00 10.32 H new ATOM 0 HH21 ARG A 29 -0.185 8.843 9.173 1.00 50.30 H new ATOM 0 HH22 ARG A 29 -1.459 9.404 10.261 1.00 50.30 H new ATOM 445 N ALA A 30 -3.882 3.071 2.729 1.00 11.01 N ATOM 446 CA ALA A 30 -4.855 2.128 2.157 1.00 23.13 C ATOM 447 C ALA A 30 -4.175 1.188 1.153 1.00 23.41 C ATOM 448 O ALA A 30 -4.261 -0.024 1.296 1.00 42.11 O ATOM 449 CB ALA A 30 -6.016 2.889 1.496 1.00 24.02 C ATOM 0 H ALA A 30 -4.048 4.040 2.459 1.00 11.01 H new ATOM 0 HA ALA A 30 -5.261 1.520 2.965 1.00 23.13 H new ATOM 0 HB1 ALA A 30 -6.727 2.176 1.078 1.00 24.02 H new ATOM 0 HB2 ALA A 30 -6.517 3.507 2.241 1.00 24.02 H new ATOM 0 HB3 ALA A 30 -5.628 3.524 0.700 1.00 24.02 H new ATOM 455 N LEU A 31 -3.454 1.776 0.176 1.00 43.35 N ATOM 456 CA LEU A 31 -2.774 1.020 -0.897 1.00 11.41 C ATOM 457 C LEU A 31 -1.630 0.159 -0.331 1.00 35.51 C ATOM 458 O LEU A 31 -1.370 -0.939 -0.829 1.00 4.33 O ATOM 459 CB LEU A 31 -2.229 1.996 -1.976 1.00 53.32 C ATOM 460 CG LEU A 31 -3.307 2.812 -2.757 1.00 71.21 C ATOM 461 CD1 LEU A 31 -2.653 3.895 -3.641 1.00 4.54 C ATOM 462 CD2 LEU A 31 -4.218 1.881 -3.589 1.00 51.40 C ATOM 0 H LEU A 31 -3.327 2.786 0.108 1.00 43.35 H new ATOM 0 HA LEU A 31 -3.503 0.352 -1.356 1.00 11.41 H new ATOM 0 HB2 LEU A 31 -1.547 2.697 -1.494 1.00 53.32 H new ATOM 0 HB3 LEU A 31 -1.642 1.423 -2.694 1.00 53.32 H new ATOM 0 HG LEU A 31 -3.936 3.319 -2.025 1.00 71.21 H new ATOM 0 HD11 LEU A 31 -3.428 4.447 -4.173 1.00 4.54 H new ATOM 0 HD12 LEU A 31 -2.084 4.581 -3.014 1.00 4.54 H new ATOM 0 HD13 LEU A 31 -1.985 3.422 -4.361 1.00 4.54 H new ATOM 0 HD21 LEU A 31 -4.959 2.478 -4.122 1.00 51.40 H new ATOM 0 HD22 LEU A 31 -3.613 1.327 -4.307 1.00 51.40 H new ATOM 0 HD23 LEU A 31 -4.725 1.181 -2.926 1.00 51.40 H new ATOM 474 N TYR A 32 -0.960 0.683 0.712 1.00 52.22 N ATOM 475 CA TYR A 32 0.128 -0.021 1.412 1.00 61.20 C ATOM 476 C TYR A 32 -0.416 -1.255 2.157 1.00 13.35 C ATOM 477 O TYR A 32 0.177 -2.332 2.096 1.00 1.20 O ATOM 478 CB TYR A 32 0.848 0.934 2.404 1.00 5.35 C ATOM 479 CG TYR A 32 1.966 0.257 3.199 1.00 21.51 C ATOM 480 CD1 TYR A 32 3.110 -0.225 2.560 1.00 54.54 C ATOM 481 CD2 TYR A 32 1.865 0.059 4.581 1.00 15.10 C ATOM 482 CE1 TYR A 32 4.100 -0.871 3.266 1.00 44.13 C ATOM 483 CE2 TYR A 32 2.853 -0.590 5.283 1.00 43.55 C ATOM 484 CZ TYR A 32 3.969 -1.050 4.621 1.00 44.41 C ATOM 485 OH TYR A 32 4.953 -1.710 5.317 1.00 10.42 O ATOM 0 H TYR A 32 -1.159 1.608 1.093 1.00 52.22 H new ATOM 0 HA TYR A 32 0.851 -0.356 0.668 1.00 61.20 H new ATOM 0 HB2 TYR A 32 1.265 1.774 1.849 1.00 5.35 H new ATOM 0 HB3 TYR A 32 0.115 1.343 3.099 1.00 5.35 H new ATOM 0 HD1 TYR A 32 3.220 -0.089 1.494 1.00 54.54 H new ATOM 0 HD2 TYR A 32 0.994 0.423 5.106 1.00 15.10 H new ATOM 0 HE1 TYR A 32 4.978 -1.236 2.755 1.00 44.13 H new ATOM 0 HE2 TYR A 32 2.754 -0.738 6.348 1.00 43.55 H new ATOM 0 HH TYR A 32 5.477 -2.262 4.699 1.00 10.42 H new ATOM 495 N ASN A 33 -1.562 -1.064 2.836 1.00 33.24 N ATOM 496 CA ASN A 33 -2.209 -2.101 3.660 1.00 61.32 C ATOM 497 C ASN A 33 -2.721 -3.236 2.762 1.00 10.33 C ATOM 498 O ASN A 33 -2.476 -4.413 3.031 1.00 35.30 O ATOM 499 CB ASN A 33 -3.364 -1.460 4.473 1.00 3.33 C ATOM 500 CG ASN A 33 -3.872 -2.331 5.614 1.00 34.23 C ATOM 501 OD1 ASN A 33 -3.897 -3.553 5.530 1.00 10.24 O ATOM 502 ND2 ASN A 33 -4.287 -1.705 6.700 1.00 60.41 N ATOM 0 H ASN A 33 -2.069 -0.179 2.828 1.00 33.24 H new ATOM 0 HA ASN A 33 -1.488 -2.526 4.359 1.00 61.32 H new ATOM 0 HB2 ASN A 33 -3.024 -0.507 4.879 1.00 3.33 H new ATOM 0 HB3 ASN A 33 -4.192 -1.242 3.799 1.00 3.33 H new ATOM 0 HD21 ASN A 33 -4.639 -2.240 7.494 1.00 60.41 H new ATOM 0 HD22 ASN A 33 -4.256 -0.686 6.745 1.00 60.41 H new ATOM 509 N ILE A 34 -3.402 -2.833 1.678 1.00 52.45 N ATOM 510 CA ILE A 34 -3.877 -3.727 0.612 1.00 34.03 C ATOM 511 C ILE A 34 -2.699 -4.519 0.004 1.00 22.14 C ATOM 512 O ILE A 34 -2.798 -5.735 -0.187 1.00 4.35 O ATOM 513 CB ILE A 34 -4.616 -2.885 -0.505 1.00 3.32 C ATOM 514 CG1 ILE A 34 -5.964 -2.307 0.038 1.00 32.05 C ATOM 515 CG2 ILE A 34 -4.841 -3.698 -1.797 1.00 53.03 C ATOM 516 CD1 ILE A 34 -6.675 -1.363 -0.918 1.00 31.22 C ATOM 0 H ILE A 34 -3.643 -1.855 1.515 1.00 52.45 H new ATOM 0 HA ILE A 34 -4.581 -4.441 1.038 1.00 34.03 H new ATOM 0 HB ILE A 34 -3.963 -2.052 -0.766 1.00 3.32 H new ATOM 0 HG12 ILE A 34 -6.631 -3.136 0.274 1.00 32.05 H new ATOM 0 HG13 ILE A 34 -5.769 -1.779 0.972 1.00 32.05 H new ATOM 0 HG21 ILE A 34 -5.351 -3.077 -2.533 1.00 53.03 H new ATOM 0 HG22 ILE A 34 -3.879 -4.019 -2.197 1.00 53.03 H new ATOM 0 HG23 ILE A 34 -5.452 -4.573 -1.575 1.00 53.03 H new ATOM 0 HD11 ILE A 34 -7.599 -1.010 -0.461 1.00 31.22 H new ATOM 0 HD12 ILE A 34 -6.030 -0.512 -1.136 1.00 31.22 H new ATOM 0 HD13 ILE A 34 -6.906 -1.889 -1.844 1.00 31.22 H new ATOM 528 N GLY A 35 -1.582 -3.806 -0.251 1.00 62.20 N ATOM 529 CA GLY A 35 -0.371 -4.398 -0.818 1.00 40.42 C ATOM 530 C GLY A 35 0.226 -5.475 0.065 1.00 34.24 C ATOM 531 O GLY A 35 0.661 -6.521 -0.432 1.00 61.13 O ATOM 0 H GLY A 35 -1.503 -2.806 -0.067 1.00 62.20 H new ATOM 0 HA2 GLY A 35 -0.603 -4.823 -1.795 1.00 40.42 H new ATOM 0 HA3 GLY A 35 0.370 -3.615 -0.979 1.00 40.42 H new ATOM 535 N LEU A 36 0.234 -5.212 1.391 1.00 40.13 N ATOM 536 CA LEU A 36 0.662 -6.193 2.402 1.00 62.31 C ATOM 537 C LEU A 36 -0.192 -7.467 2.292 1.00 54.00 C ATOM 538 O LEU A 36 0.349 -8.561 2.205 1.00 42.22 O ATOM 539 CB LEU A 36 0.580 -5.598 3.840 1.00 62.11 C ATOM 540 CG LEU A 36 1.589 -4.454 4.183 1.00 0.13 C ATOM 541 CD1 LEU A 36 1.284 -3.861 5.568 1.00 53.31 C ATOM 542 CD2 LEU A 36 3.052 -4.947 4.109 1.00 42.03 C ATOM 0 H LEU A 36 -0.055 -4.317 1.785 1.00 40.13 H new ATOM 0 HA LEU A 36 1.704 -6.448 2.211 1.00 62.31 H new ATOM 0 HB2 LEU A 36 -0.430 -5.219 3.995 1.00 62.11 H new ATOM 0 HB3 LEU A 36 0.729 -6.409 4.553 1.00 62.11 H new ATOM 0 HG LEU A 36 1.468 -3.670 3.436 1.00 0.13 H new ATOM 0 HD11 LEU A 36 1.997 -3.066 5.789 1.00 53.31 H new ATOM 0 HD12 LEU A 36 0.273 -3.454 5.575 1.00 53.31 H new ATOM 0 HD13 LEU A 36 1.366 -4.642 6.324 1.00 53.31 H new ATOM 0 HD21 LEU A 36 3.726 -4.126 4.353 1.00 42.03 H new ATOM 0 HD22 LEU A 36 3.198 -5.760 4.820 1.00 42.03 H new ATOM 0 HD23 LEU A 36 3.265 -5.304 3.101 1.00 42.03 H new ATOM 554 N GLU A 37 -1.518 -7.282 2.221 1.00 74.41 N ATOM 555 CA GLU A 37 -2.490 -8.386 2.165 1.00 45.10 C ATOM 556 C GLU A 37 -2.321 -9.254 0.899 1.00 24.35 C ATOM 557 O GLU A 37 -2.592 -10.456 0.939 1.00 14.21 O ATOM 558 CB GLU A 37 -3.927 -7.823 2.266 1.00 52.23 C ATOM 559 CG GLU A 37 -4.222 -7.015 3.544 1.00 13.20 C ATOM 560 CD GLU A 37 -3.966 -7.819 4.827 1.00 75.42 C ATOM 561 OE1 GLU A 37 -4.887 -8.504 5.302 1.00 73.33 O ATOM 562 OE2 GLU A 37 -2.832 -7.789 5.363 1.00 30.23 O ATOM 0 H GLU A 37 -1.950 -6.358 2.201 1.00 74.41 H new ATOM 0 HA GLU A 37 -2.301 -9.041 3.015 1.00 45.10 H new ATOM 0 HB2 GLU A 37 -4.113 -7.187 1.401 1.00 52.23 H new ATOM 0 HB3 GLU A 37 -4.631 -8.653 2.209 1.00 52.23 H new ATOM 0 HG2 GLU A 37 -3.603 -6.118 3.553 1.00 13.20 H new ATOM 0 HG3 GLU A 37 -5.261 -6.685 3.528 1.00 13.20 H new ATOM 569 N LYS A 38 -1.864 -8.639 -0.215 1.00 74.13 N ATOM 570 CA LYS A 38 -1.448 -9.389 -1.422 1.00 63.51 C ATOM 571 C LYS A 38 -0.246 -10.304 -1.084 1.00 10.21 C ATOM 572 O LYS A 38 -0.256 -11.495 -1.399 1.00 3.50 O ATOM 573 CB LYS A 38 -1.082 -8.432 -2.605 1.00 23.24 C ATOM 574 CG LYS A 38 -2.244 -8.054 -3.557 1.00 25.33 C ATOM 575 CD LYS A 38 -3.292 -7.140 -2.917 1.00 53.24 C ATOM 576 CE LYS A 38 -4.455 -6.810 -3.870 1.00 33.31 C ATOM 577 NZ LYS A 38 -5.212 -8.014 -4.312 1.00 22.34 N ATOM 0 H LYS A 38 -1.774 -7.627 -0.303 1.00 74.13 H new ATOM 0 HA LYS A 38 -2.292 -9.999 -1.743 1.00 63.51 H new ATOM 0 HB2 LYS A 38 -0.667 -7.514 -2.189 1.00 23.24 H new ATOM 0 HB3 LYS A 38 -0.293 -8.900 -3.194 1.00 23.24 H new ATOM 0 HG2 LYS A 38 -1.834 -7.560 -4.438 1.00 25.33 H new ATOM 0 HG3 LYS A 38 -2.732 -8.966 -3.901 1.00 25.33 H new ATOM 0 HD2 LYS A 38 -3.687 -7.619 -2.021 1.00 53.24 H new ATOM 0 HD3 LYS A 38 -2.814 -6.213 -2.599 1.00 53.24 H new ATOM 0 HE2 LYS A 38 -5.139 -6.121 -3.374 1.00 33.31 H new ATOM 0 HE3 LYS A 38 -4.063 -6.294 -4.746 1.00 33.31 H new ATOM 0 HZ1 LYS A 38 -4.948 -8.251 -5.290 1.00 22.34 H new ATOM 0 HZ2 LYS A 38 -4.985 -8.815 -3.688 1.00 22.34 H new ATOM 0 HZ3 LYS A 38 -6.232 -7.818 -4.267 1.00 22.34 H new ATOM 591 N ASN A 39 0.748 -9.708 -0.398 1.00 12.30 N ATOM 592 CA ASN A 39 2.023 -10.373 -0.032 1.00 73.03 C ATOM 593 C ASN A 39 1.784 -11.552 0.940 1.00 3.13 C ATOM 594 O ASN A 39 2.503 -12.552 0.890 1.00 50.35 O ATOM 595 CB ASN A 39 3.001 -9.318 0.581 1.00 41.41 C ATOM 596 CG ASN A 39 4.438 -9.814 0.760 1.00 52.34 C ATOM 597 OD1 ASN A 39 4.930 -10.661 0.010 1.00 41.13 O ATOM 598 ND2 ASN A 39 5.138 -9.243 1.724 1.00 14.43 N ATOM 0 H ASN A 39 0.692 -8.741 -0.077 1.00 12.30 H new ATOM 0 HA ASN A 39 2.474 -10.792 -0.931 1.00 73.03 H new ATOM 0 HB2 ASN A 39 3.012 -8.436 -0.059 1.00 41.41 H new ATOM 0 HB3 ASN A 39 2.615 -9.004 1.551 1.00 41.41 H new ATOM 0 HD21 ASN A 39 6.115 -9.499 1.865 1.00 14.43 H new ATOM 0 HD22 ASN A 39 4.701 -8.546 2.327 1.00 14.43 H new ATOM 605 N LYS A 40 0.741 -11.426 1.800 1.00 2.42 N ATOM 606 CA LYS A 40 0.304 -12.504 2.724 1.00 40.54 C ATOM 607 C LYS A 40 -0.190 -13.734 1.930 1.00 53.44 C ATOM 608 O LYS A 40 0.066 -14.879 2.317 1.00 2.33 O ATOM 609 CB LYS A 40 -0.846 -12.014 3.683 1.00 61.34 C ATOM 610 CG LYS A 40 -0.393 -11.342 5.008 1.00 10.20 C ATOM 611 CD LYS A 40 0.376 -10.021 4.815 1.00 12.11 C ATOM 612 CE LYS A 40 0.668 -9.293 6.134 1.00 2.33 C ATOM 613 NZ LYS A 40 -0.577 -8.875 6.839 1.00 31.31 N ATOM 0 H LYS A 40 0.181 -10.577 1.872 1.00 2.42 H new ATOM 0 HA LYS A 40 1.169 -12.779 3.328 1.00 40.54 H new ATOM 0 HB2 LYS A 40 -1.470 -11.307 3.136 1.00 61.34 H new ATOM 0 HB3 LYS A 40 -1.474 -12.870 3.930 1.00 61.34 H new ATOM 0 HG2 LYS A 40 -1.271 -11.151 5.625 1.00 10.20 H new ATOM 0 HG3 LYS A 40 0.238 -12.040 5.559 1.00 10.20 H new ATOM 0 HD2 LYS A 40 1.317 -10.227 4.305 1.00 12.11 H new ATOM 0 HD3 LYS A 40 -0.201 -9.364 4.165 1.00 12.11 H new ATOM 0 HE2 LYS A 40 1.250 -9.946 6.785 1.00 2.33 H new ATOM 0 HE3 LYS A 40 1.281 -8.414 5.933 1.00 2.33 H new ATOM 0 HZ1 LYS A 40 -0.352 -8.130 7.529 1.00 31.31 H new ATOM 0 HZ2 LYS A 40 -1.262 -8.510 6.147 1.00 31.31 H new ATOM 0 HZ3 LYS A 40 -0.987 -9.693 7.334 1.00 31.31 H new ATOM 627 N MET A 41 -0.909 -13.467 0.821 1.00 32.33 N ATOM 628 CA MET A 41 -1.552 -14.514 -0.010 1.00 74.43 C ATOM 629 C MET A 41 -0.609 -15.040 -1.109 1.00 22.45 C ATOM 630 O MET A 41 -0.995 -15.918 -1.887 1.00 2.23 O ATOM 631 CB MET A 41 -2.860 -13.955 -0.630 1.00 34.41 C ATOM 632 CG MET A 41 -3.849 -13.377 0.385 1.00 60.41 C ATOM 633 SD MET A 41 -5.358 -12.741 -0.374 1.00 32.24 S ATOM 634 CE MET A 41 -4.714 -11.539 -1.537 1.00 72.34 C ATOM 0 H MET A 41 -1.062 -12.520 0.473 1.00 32.33 H new ATOM 0 HA MET A 41 -1.789 -15.360 0.635 1.00 74.43 H new ATOM 0 HB2 MET A 41 -2.602 -13.178 -1.350 1.00 34.41 H new ATOM 0 HB3 MET A 41 -3.354 -14.753 -1.185 1.00 34.41 H new ATOM 0 HG2 MET A 41 -4.111 -14.150 1.107 1.00 60.41 H new ATOM 0 HG3 MET A 41 -3.363 -12.574 0.940 1.00 60.41 H new ATOM 0 HE1 MET A 41 -5.399 -10.694 -1.604 1.00 72.34 H new ATOM 0 HE2 MET A 41 -3.739 -11.189 -1.197 1.00 72.34 H new ATOM 0 HE3 MET A 41 -4.611 -12.001 -2.519 1.00 72.34 H new ATOM 644 N GLY A 42 0.623 -14.508 -1.156 1.00 30.52 N ATOM 645 CA GLY A 42 1.624 -14.923 -2.141 1.00 71.40 C ATOM 646 C GLY A 42 1.515 -14.191 -3.464 1.00 11.11 C ATOM 647 O GLY A 42 2.164 -14.581 -4.438 1.00 2.23 O ATOM 0 H GLY A 42 0.948 -13.784 -0.515 1.00 30.52 H new ATOM 0 HA2 GLY A 42 2.619 -14.760 -1.726 1.00 71.40 H new ATOM 0 HA3 GLY A 42 1.524 -15.994 -2.319 1.00 71.40 H new ATOM 651 N LYS A 43 0.678 -13.140 -3.524 1.00 12.40 N ATOM 652 CA LYS A 43 0.627 -12.224 -4.680 1.00 13.45 C ATOM 653 C LYS A 43 1.670 -11.114 -4.457 1.00 65.00 C ATOM 654 O LYS A 43 1.335 -9.961 -4.195 1.00 15.42 O ATOM 655 CB LYS A 43 -0.795 -11.617 -4.916 1.00 11.22 C ATOM 656 CG LYS A 43 -1.904 -12.626 -5.318 1.00 54.15 C ATOM 657 CD LYS A 43 -2.436 -13.445 -4.124 1.00 31.01 C ATOM 658 CE LYS A 43 -3.492 -14.502 -4.517 1.00 12.20 C ATOM 659 NZ LYS A 43 -4.700 -13.918 -5.162 1.00 73.41 N ATOM 0 H LYS A 43 0.022 -12.902 -2.780 1.00 12.40 H new ATOM 0 HA LYS A 43 0.856 -12.791 -5.582 1.00 13.45 H new ATOM 0 HB2 LYS A 43 -1.107 -11.107 -4.004 1.00 11.22 H new ATOM 0 HB3 LYS A 43 -0.721 -10.859 -5.696 1.00 11.22 H new ATOM 0 HG2 LYS A 43 -2.731 -12.084 -5.777 1.00 54.15 H new ATOM 0 HG3 LYS A 43 -1.511 -13.307 -6.073 1.00 54.15 H new ATOM 0 HD2 LYS A 43 -1.599 -13.944 -3.636 1.00 31.01 H new ATOM 0 HD3 LYS A 43 -2.871 -12.764 -3.393 1.00 31.01 H new ATOM 0 HE2 LYS A 43 -3.038 -15.223 -5.197 1.00 12.20 H new ATOM 0 HE3 LYS A 43 -3.795 -15.052 -3.626 1.00 12.20 H new ATOM 0 HZ1 LYS A 43 -5.368 -14.678 -5.401 1.00 73.41 H new ATOM 0 HZ2 LYS A 43 -5.155 -13.250 -4.507 1.00 73.41 H new ATOM 0 HZ3 LYS A 43 -4.422 -13.416 -6.030 1.00 73.41 H new ATOM 673 N VAL A 44 2.947 -11.513 -4.533 1.00 43.34 N ATOM 674 CA VAL A 44 4.102 -10.642 -4.214 1.00 14.24 C ATOM 675 C VAL A 44 4.365 -9.601 -5.326 1.00 11.11 C ATOM 676 O VAL A 44 4.822 -8.495 -5.041 1.00 30.21 O ATOM 677 CB VAL A 44 5.391 -11.506 -3.937 1.00 1.42 C ATOM 678 CG1 VAL A 44 6.608 -10.634 -3.555 1.00 23.11 C ATOM 679 CG2 VAL A 44 5.110 -12.566 -2.845 1.00 62.34 C ATOM 0 H VAL A 44 3.216 -12.454 -4.819 1.00 43.34 H new ATOM 0 HA VAL A 44 3.853 -10.090 -3.308 1.00 14.24 H new ATOM 0 HB VAL A 44 5.644 -12.017 -4.866 1.00 1.42 H new ATOM 0 HG11 VAL A 44 7.472 -11.274 -3.374 1.00 23.11 H new ATOM 0 HG12 VAL A 44 6.832 -9.945 -4.369 1.00 23.11 H new ATOM 0 HG13 VAL A 44 6.381 -10.067 -2.652 1.00 23.11 H new ATOM 0 HG21 VAL A 44 6.011 -13.153 -2.667 1.00 62.34 H new ATOM 0 HG22 VAL A 44 4.813 -12.068 -1.922 1.00 62.34 H new ATOM 0 HG23 VAL A 44 4.307 -13.225 -3.176 1.00 62.34 H new ATOM 689 N LYS A 45 4.039 -9.960 -6.584 1.00 55.31 N ATOM 690 CA LYS A 45 4.190 -9.056 -7.749 1.00 45.21 C ATOM 691 C LYS A 45 3.180 -7.902 -7.628 1.00 22.33 C ATOM 692 O LYS A 45 3.502 -6.744 -7.911 1.00 65.05 O ATOM 693 CB LYS A 45 3.977 -9.798 -9.109 1.00 24.14 C ATOM 694 CG LYS A 45 5.046 -10.863 -9.478 1.00 14.02 C ATOM 695 CD LYS A 45 5.032 -12.124 -8.578 1.00 63.23 C ATOM 696 CE LYS A 45 6.106 -13.150 -8.977 1.00 52.44 C ATOM 697 NZ LYS A 45 6.081 -14.350 -8.101 1.00 35.20 N ATOM 0 H LYS A 45 3.666 -10.878 -6.823 1.00 55.31 H new ATOM 0 HA LYS A 45 5.211 -8.675 -7.743 1.00 45.21 H new ATOM 0 HB2 LYS A 45 3.002 -10.284 -9.086 1.00 24.14 H new ATOM 0 HB3 LYS A 45 3.944 -9.054 -9.905 1.00 24.14 H new ATOM 0 HG2 LYS A 45 4.894 -11.169 -10.513 1.00 14.02 H new ATOM 0 HG3 LYS A 45 6.033 -10.403 -9.423 1.00 14.02 H new ATOM 0 HD2 LYS A 45 5.187 -11.827 -7.541 1.00 63.23 H new ATOM 0 HD3 LYS A 45 4.050 -12.593 -8.632 1.00 63.23 H new ATOM 0 HE2 LYS A 45 5.951 -13.453 -10.012 1.00 52.44 H new ATOM 0 HE3 LYS A 45 7.090 -12.684 -8.926 1.00 52.44 H new ATOM 0 HZ1 LYS A 45 6.820 -15.016 -8.404 1.00 35.20 H new ATOM 0 HZ2 LYS A 45 6.255 -14.065 -7.116 1.00 35.20 H new ATOM 0 HZ3 LYS A 45 5.151 -14.810 -8.169 1.00 35.20 H new ATOM 711 N GLU A 46 1.957 -8.249 -7.177 1.00 72.40 N ATOM 712 CA GLU A 46 0.859 -7.281 -6.979 1.00 53.34 C ATOM 713 C GLU A 46 1.149 -6.419 -5.742 1.00 12.33 C ATOM 714 O GLU A 46 0.830 -5.235 -5.723 1.00 73.01 O ATOM 715 CB GLU A 46 -0.497 -8.016 -6.823 1.00 43.21 C ATOM 716 CG GLU A 46 -0.739 -9.127 -7.856 1.00 4.33 C ATOM 717 CD GLU A 46 -0.656 -8.674 -9.327 1.00 54.11 C ATOM 718 OE1 GLU A 46 -1.658 -8.131 -9.853 1.00 14.43 O ATOM 719 OE2 GLU A 46 0.402 -8.881 -9.970 1.00 1.32 O ATOM 0 H GLU A 46 1.703 -9.208 -6.940 1.00 72.40 H new ATOM 0 HA GLU A 46 0.794 -6.636 -7.855 1.00 53.34 H new ATOM 0 HB2 GLU A 46 -0.549 -8.448 -5.824 1.00 43.21 H new ATOM 0 HB3 GLU A 46 -1.303 -7.286 -6.897 1.00 43.21 H new ATOM 0 HG2 GLU A 46 -0.009 -9.920 -7.693 1.00 4.33 H new ATOM 0 HG3 GLU A 46 -1.724 -9.559 -7.679 1.00 4.33 H new ATOM 726 N ALA A 47 1.774 -7.053 -4.727 1.00 41.52 N ATOM 727 CA ALA A 47 2.199 -6.393 -3.485 1.00 14.01 C ATOM 728 C ALA A 47 3.134 -5.216 -3.800 1.00 3.23 C ATOM 729 O ALA A 47 2.892 -4.100 -3.352 1.00 32.40 O ATOM 730 CB ALA A 47 2.886 -7.405 -2.561 1.00 2.02 C ATOM 0 H ALA A 47 1.998 -8.048 -4.752 1.00 41.52 H new ATOM 0 HA ALA A 47 1.321 -6.001 -2.973 1.00 14.01 H new ATOM 0 HB1 ALA A 47 3.198 -6.907 -1.643 1.00 2.02 H new ATOM 0 HB2 ALA A 47 2.190 -8.208 -2.320 1.00 2.02 H new ATOM 0 HB3 ALA A 47 3.760 -7.821 -3.063 1.00 2.02 H new ATOM 736 N ILE A 48 4.165 -5.510 -4.628 1.00 42.21 N ATOM 737 CA ILE A 48 5.130 -4.524 -5.154 1.00 15.44 C ATOM 738 C ILE A 48 4.412 -3.332 -5.815 1.00 4.24 C ATOM 739 O ILE A 48 4.690 -2.184 -5.483 1.00 65.32 O ATOM 740 CB ILE A 48 6.093 -5.227 -6.196 1.00 24.42 C ATOM 741 CG1 ILE A 48 7.019 -6.249 -5.463 1.00 34.31 C ATOM 742 CG2 ILE A 48 6.921 -4.210 -7.025 1.00 34.35 C ATOM 743 CD1 ILE A 48 7.833 -7.137 -6.375 1.00 40.32 C ATOM 0 H ILE A 48 4.350 -6.459 -4.953 1.00 42.21 H new ATOM 0 HA ILE A 48 5.714 -4.138 -4.319 1.00 15.44 H new ATOM 0 HB ILE A 48 5.468 -5.763 -6.910 1.00 24.42 H new ATOM 0 HG12 ILE A 48 7.700 -5.699 -4.813 1.00 34.31 H new ATOM 0 HG13 ILE A 48 6.404 -6.879 -4.821 1.00 34.31 H new ATOM 0 HG21 ILE A 48 7.563 -4.747 -7.723 1.00 34.35 H new ATOM 0 HG22 ILE A 48 6.246 -3.558 -7.580 1.00 34.35 H new ATOM 0 HG23 ILE A 48 7.536 -3.609 -6.355 1.00 34.35 H new ATOM 0 HD11 ILE A 48 8.444 -7.812 -5.775 1.00 40.32 H new ATOM 0 HD12 ILE A 48 7.164 -7.719 -7.008 1.00 40.32 H new ATOM 0 HD13 ILE A 48 8.480 -6.521 -7.000 1.00 40.32 H new ATOM 755 N GLU A 49 3.457 -3.656 -6.711 1.00 71.04 N ATOM 756 CA GLU A 49 2.681 -2.692 -7.512 1.00 42.13 C ATOM 757 C GLU A 49 1.946 -1.688 -6.583 1.00 72.01 C ATOM 758 O GLU A 49 2.017 -0.473 -6.791 1.00 74.54 O ATOM 759 CB GLU A 49 1.695 -3.502 -8.429 1.00 20.30 C ATOM 760 CG GLU A 49 1.520 -2.966 -9.870 1.00 14.24 C ATOM 761 CD GLU A 49 0.565 -1.763 -10.002 1.00 62.54 C ATOM 762 OE1 GLU A 49 0.991 -0.624 -9.759 1.00 34.21 O ATOM 763 OE2 GLU A 49 -0.623 -1.957 -10.362 1.00 11.34 O ATOM 0 H GLU A 49 3.198 -4.624 -6.901 1.00 71.04 H new ATOM 0 HA GLU A 49 3.336 -2.096 -8.148 1.00 42.13 H new ATOM 0 HB2 GLU A 49 2.045 -4.533 -8.485 1.00 20.30 H new ATOM 0 HB3 GLU A 49 0.717 -3.523 -7.948 1.00 20.30 H new ATOM 0 HG2 GLU A 49 2.498 -2.680 -10.257 1.00 14.24 H new ATOM 0 HG3 GLU A 49 1.152 -3.775 -10.501 1.00 14.24 H new ATOM 770 N TYR A 50 1.312 -2.226 -5.521 1.00 14.22 N ATOM 771 CA TYR A 50 0.601 -1.428 -4.503 1.00 5.24 C ATOM 772 C TYR A 50 1.567 -0.647 -3.583 1.00 0.31 C ATOM 773 O TYR A 50 1.220 0.450 -3.140 1.00 2.32 O ATOM 774 CB TYR A 50 -0.326 -2.329 -3.650 1.00 43.40 C ATOM 775 CG TYR A 50 -1.664 -2.674 -4.318 1.00 20.43 C ATOM 776 CD1 TYR A 50 -2.746 -1.787 -4.250 1.00 1.42 C ATOM 777 CD2 TYR A 50 -1.848 -3.867 -5.021 1.00 75.32 C ATOM 778 CE1 TYR A 50 -3.950 -2.087 -4.854 1.00 15.13 C ATOM 779 CE2 TYR A 50 -3.044 -4.163 -5.626 1.00 65.25 C ATOM 780 CZ TYR A 50 -4.095 -3.278 -5.539 1.00 73.40 C ATOM 781 OH TYR A 50 -5.293 -3.592 -6.147 1.00 10.31 O ATOM 0 H TYR A 50 1.279 -3.230 -5.345 1.00 14.22 H new ATOM 0 HA TYR A 50 -0.001 -0.697 -5.043 1.00 5.24 H new ATOM 0 HB2 TYR A 50 0.200 -3.255 -3.419 1.00 43.40 H new ATOM 0 HB3 TYR A 50 -0.525 -1.830 -2.702 1.00 43.40 H new ATOM 0 HD1 TYR A 50 -2.636 -0.854 -3.717 1.00 1.42 H new ATOM 0 HD2 TYR A 50 -1.032 -4.571 -5.090 1.00 75.32 H new ATOM 0 HE1 TYR A 50 -4.776 -1.394 -4.791 1.00 15.13 H new ATOM 0 HE2 TYR A 50 -3.160 -5.089 -6.170 1.00 65.25 H new ATOM 0 HH TYR A 50 -5.219 -4.466 -6.584 1.00 10.31 H new ATOM 791 N PHE A 51 2.757 -1.216 -3.292 1.00 5.30 N ATOM 792 CA PHE A 51 3.770 -0.550 -2.432 1.00 70.41 C ATOM 793 C PHE A 51 4.396 0.638 -3.166 1.00 1.21 C ATOM 794 O PHE A 51 4.817 1.601 -2.536 1.00 53.23 O ATOM 795 CB PHE A 51 4.904 -1.522 -2.007 1.00 0.30 C ATOM 796 CG PHE A 51 4.511 -2.688 -1.110 1.00 4.53 C ATOM 797 CD1 PHE A 51 3.478 -2.578 -0.180 1.00 52.42 C ATOM 798 CD2 PHE A 51 5.201 -3.903 -1.191 1.00 61.25 C ATOM 799 CE1 PHE A 51 3.148 -3.642 0.630 1.00 11.32 C ATOM 800 CE2 PHE A 51 4.864 -4.968 -0.382 1.00 31.34 C ATOM 801 CZ PHE A 51 3.839 -4.839 0.528 1.00 75.11 C ATOM 0 H PHE A 51 3.043 -2.132 -3.637 1.00 5.30 H new ATOM 0 HA PHE A 51 3.248 -0.211 -1.537 1.00 70.41 H new ATOM 0 HB2 PHE A 51 5.360 -1.927 -2.910 1.00 0.30 H new ATOM 0 HB3 PHE A 51 5.672 -0.943 -1.494 1.00 0.30 H new ATOM 0 HD1 PHE A 51 2.932 -1.650 -0.094 1.00 52.42 H new ATOM 0 HD2 PHE A 51 6.010 -4.008 -1.898 1.00 61.25 H new ATOM 0 HE1 PHE A 51 2.347 -3.543 1.348 1.00 11.32 H new ATOM 0 HE2 PHE A 51 5.403 -5.901 -0.462 1.00 31.34 H new ATOM 0 HZ PHE A 51 3.573 -5.671 1.163 1.00 75.11 H new ATOM 811 N LEU A 52 4.458 0.535 -4.504 1.00 54.13 N ATOM 812 CA LEU A 52 4.996 1.595 -5.372 1.00 51.50 C ATOM 813 C LEU A 52 4.002 2.769 -5.422 1.00 52.15 C ATOM 814 O LEU A 52 4.407 3.936 -5.326 1.00 10.13 O ATOM 815 CB LEU A 52 5.261 1.052 -6.803 1.00 3.23 C ATOM 816 CG LEU A 52 6.413 0.011 -6.955 1.00 54.30 C ATOM 817 CD1 LEU A 52 6.463 -0.550 -8.389 1.00 51.31 C ATOM 818 CD2 LEU A 52 7.770 0.614 -6.547 1.00 54.12 C ATOM 0 H LEU A 52 4.136 -0.287 -5.015 1.00 54.13 H new ATOM 0 HA LEU A 52 5.944 1.941 -4.961 1.00 51.50 H new ATOM 0 HB2 LEU A 52 4.341 0.597 -7.170 1.00 3.23 H new ATOM 0 HB3 LEU A 52 5.480 1.899 -7.453 1.00 3.23 H new ATOM 0 HG LEU A 52 6.204 -0.817 -6.278 1.00 54.30 H new ATOM 0 HD11 LEU A 52 7.274 -1.273 -8.469 1.00 51.31 H new ATOM 0 HD12 LEU A 52 5.517 -1.039 -8.622 1.00 51.31 H new ATOM 0 HD13 LEU A 52 6.633 0.265 -9.093 1.00 51.31 H new ATOM 0 HD21 LEU A 52 8.552 -0.137 -6.664 1.00 54.12 H new ATOM 0 HD22 LEU A 52 7.992 1.472 -7.182 1.00 54.12 H new ATOM 0 HD23 LEU A 52 7.728 0.934 -5.506 1.00 54.12 H new ATOM 830 N ARG A 53 2.696 2.428 -5.570 1.00 30.43 N ATOM 831 CA ARG A 53 1.599 3.417 -5.560 1.00 51.33 C ATOM 832 C ARG A 53 1.569 4.149 -4.208 1.00 53.33 C ATOM 833 O ARG A 53 1.666 5.376 -4.157 1.00 32.41 O ATOM 834 CB ARG A 53 0.220 2.736 -5.830 1.00 34.10 C ATOM 835 CG ARG A 53 0.074 2.095 -7.227 1.00 31.20 C ATOM 836 CD ARG A 53 -1.363 1.603 -7.528 1.00 12.04 C ATOM 837 NE ARG A 53 -1.461 0.929 -8.836 1.00 64.51 N ATOM 838 CZ ARG A 53 -2.464 1.075 -9.722 1.00 3.21 C ATOM 839 NH1 ARG A 53 -3.486 1.904 -9.470 1.00 51.31 N ATOM 840 NH2 ARG A 53 -2.457 0.345 -10.832 1.00 72.15 N ATOM 0 H ARG A 53 2.381 1.466 -5.698 1.00 30.43 H new ATOM 0 HA ARG A 53 1.782 4.136 -6.359 1.00 51.33 H new ATOM 0 HB2 ARG A 53 0.057 1.967 -5.075 1.00 34.10 H new ATOM 0 HB3 ARG A 53 -0.567 3.479 -5.703 1.00 34.10 H new ATOM 0 HG2 ARG A 53 0.368 2.821 -7.985 1.00 31.20 H new ATOM 0 HG3 ARG A 53 0.763 1.254 -7.307 1.00 31.20 H new ATOM 0 HD2 ARG A 53 -1.682 0.917 -6.743 1.00 12.04 H new ATOM 0 HD3 ARG A 53 -2.047 2.451 -7.507 1.00 12.04 H new ATOM 0 HE ARG A 53 -0.702 0.297 -9.092 1.00 64.51 H new ATOM 0 HH11 ARG A 53 -3.510 2.434 -8.599 1.00 51.31 H new ATOM 0 HH12 ARG A 53 -4.240 2.006 -10.150 1.00 51.31 H new ATOM 0 HH21 ARG A 53 -1.699 -0.315 -11.004 1.00 72.15 H new ATOM 0 HH22 ARG A 53 -3.210 0.445 -11.513 1.00 72.15 H new ATOM 854 N ALA A 54 1.516 3.345 -3.130 1.00 31.23 N ATOM 855 CA ALA A 54 1.417 3.814 -1.744 1.00 73.32 C ATOM 856 C ALA A 54 2.564 4.749 -1.374 1.00 42.11 C ATOM 857 O ALA A 54 2.326 5.838 -0.853 1.00 24.31 O ATOM 858 CB ALA A 54 1.407 2.614 -0.803 1.00 33.03 C ATOM 0 H ALA A 54 1.542 2.328 -3.205 1.00 31.23 H new ATOM 0 HA ALA A 54 0.489 4.378 -1.646 1.00 73.32 H new ATOM 0 HB1 ALA A 54 1.333 2.961 0.228 1.00 33.03 H new ATOM 0 HB2 ALA A 54 0.553 1.978 -1.034 1.00 33.03 H new ATOM 0 HB3 ALA A 54 2.328 2.045 -0.930 1.00 33.03 H new ATOM 864 N LYS A 55 3.799 4.300 -1.686 1.00 23.43 N ATOM 865 CA LYS A 55 5.033 5.036 -1.383 1.00 4.21 C ATOM 866 C LYS A 55 5.011 6.419 -2.037 1.00 12.42 C ATOM 867 O LYS A 55 5.310 7.413 -1.386 1.00 2.44 O ATOM 868 CB LYS A 55 6.264 4.239 -1.880 1.00 50.52 C ATOM 869 CG LYS A 55 7.625 4.890 -1.551 1.00 42.34 C ATOM 870 CD LYS A 55 8.821 4.073 -2.081 1.00 31.23 C ATOM 871 CE LYS A 55 10.167 4.726 -1.750 1.00 61.30 C ATOM 872 NZ LYS A 55 11.306 4.016 -2.397 1.00 54.44 N ATOM 0 H LYS A 55 3.962 3.411 -2.158 1.00 23.43 H new ATOM 0 HA LYS A 55 5.101 5.163 -0.303 1.00 4.21 H new ATOM 0 HB2 LYS A 55 6.237 3.242 -1.440 1.00 50.52 H new ATOM 0 HB3 LYS A 55 6.187 4.113 -2.960 1.00 50.52 H new ATOM 0 HG2 LYS A 55 7.657 5.892 -1.979 1.00 42.34 H new ATOM 0 HG3 LYS A 55 7.717 5.002 -0.471 1.00 42.34 H new ATOM 0 HD2 LYS A 55 8.791 3.071 -1.653 1.00 31.23 H new ATOM 0 HD3 LYS A 55 8.731 3.961 -3.161 1.00 31.23 H new ATOM 0 HE2 LYS A 55 10.155 5.766 -2.077 1.00 61.30 H new ATOM 0 HE3 LYS A 55 10.311 4.733 -0.670 1.00 61.30 H new ATOM 0 HZ1 LYS A 55 12.203 4.426 -2.067 1.00 54.44 H new ATOM 0 HZ2 LYS A 55 11.274 3.007 -2.146 1.00 54.44 H new ATOM 0 HZ3 LYS A 55 11.237 4.119 -3.430 1.00 54.44 H new ATOM 886 N LYS A 56 4.609 6.454 -3.324 1.00 44.10 N ATOM 887 CA LYS A 56 4.546 7.692 -4.115 1.00 25.03 C ATOM 888 C LYS A 56 3.507 8.674 -3.533 1.00 32.03 C ATOM 889 O LYS A 56 3.731 9.890 -3.533 1.00 64.30 O ATOM 890 CB LYS A 56 4.238 7.378 -5.602 1.00 73.24 C ATOM 891 CG LYS A 56 4.188 8.635 -6.506 1.00 14.54 C ATOM 892 CD LYS A 56 3.961 8.315 -7.999 1.00 1.05 C ATOM 893 CE LYS A 56 3.863 9.588 -8.861 1.00 34.23 C ATOM 894 NZ LYS A 56 3.723 9.282 -10.315 1.00 70.33 N ATOM 0 H LYS A 56 4.320 5.623 -3.840 1.00 44.10 H new ATOM 0 HA LYS A 56 5.523 8.173 -4.063 1.00 25.03 H new ATOM 0 HB2 LYS A 56 4.997 6.696 -5.985 1.00 73.24 H new ATOM 0 HB3 LYS A 56 3.282 6.858 -5.664 1.00 73.24 H new ATOM 0 HG2 LYS A 56 3.390 9.291 -6.158 1.00 14.54 H new ATOM 0 HG3 LYS A 56 5.122 9.186 -6.399 1.00 14.54 H new ATOM 0 HD2 LYS A 56 4.779 7.694 -8.364 1.00 1.05 H new ATOM 0 HD3 LYS A 56 3.046 7.733 -8.109 1.00 1.05 H new ATOM 0 HE2 LYS A 56 3.009 10.180 -8.533 1.00 34.23 H new ATOM 0 HE3 LYS A 56 4.753 10.198 -8.705 1.00 34.23 H new ATOM 0 HZ1 LYS A 56 3.661 10.170 -10.852 1.00 70.33 H new ATOM 0 HZ2 LYS A 56 4.550 8.740 -10.637 1.00 70.33 H new ATOM 0 HZ3 LYS A 56 2.860 8.722 -10.470 1.00 70.33 H new ATOM 908 N VAL A 57 2.389 8.132 -3.017 1.00 52.54 N ATOM 909 CA VAL A 57 1.350 8.947 -2.359 1.00 3.13 C ATOM 910 C VAL A 57 1.897 9.514 -1.023 1.00 51.43 C ATOM 911 O VAL A 57 1.665 10.679 -0.704 1.00 22.13 O ATOM 912 CB VAL A 57 0.014 8.142 -2.119 1.00 50.32 C ATOM 913 CG1 VAL A 57 -1.074 9.047 -1.521 1.00 31.13 C ATOM 914 CG2 VAL A 57 -0.508 7.505 -3.425 1.00 55.22 C ATOM 0 H VAL A 57 2.181 7.134 -3.043 1.00 52.54 H new ATOM 0 HA VAL A 57 1.102 9.770 -3.029 1.00 3.13 H new ATOM 0 HB VAL A 57 0.246 7.345 -1.412 1.00 50.32 H new ATOM 0 HG11 VAL A 57 -1.984 8.468 -1.365 1.00 31.13 H new ATOM 0 HG12 VAL A 57 -0.731 9.447 -0.567 1.00 31.13 H new ATOM 0 HG13 VAL A 57 -1.280 9.870 -2.206 1.00 31.13 H new ATOM 0 HG21 VAL A 57 -1.429 6.959 -3.221 1.00 55.22 H new ATOM 0 HG22 VAL A 57 -0.705 8.287 -4.158 1.00 55.22 H new ATOM 0 HG23 VAL A 57 0.241 6.818 -3.820 1.00 55.22 H new ATOM 924 N PHE A 58 2.674 8.682 -0.288 1.00 72.55 N ATOM 925 CA PHE A 58 3.377 9.097 0.953 1.00 23.33 C ATOM 926 C PHE A 58 4.417 10.196 0.651 1.00 43.43 C ATOM 927 O PHE A 58 4.621 11.089 1.459 1.00 32.23 O ATOM 928 CB PHE A 58 4.083 7.894 1.651 1.00 40.41 C ATOM 929 CG PHE A 58 3.163 6.910 2.370 1.00 23.42 C ATOM 930 CD1 PHE A 58 2.300 7.345 3.376 1.00 41.15 C ATOM 931 CD2 PHE A 58 3.199 5.544 2.081 1.00 72.31 C ATOM 932 CE1 PHE A 58 1.504 6.446 4.060 1.00 62.43 C ATOM 933 CE2 PHE A 58 2.411 4.647 2.768 1.00 60.14 C ATOM 934 CZ PHE A 58 1.567 5.097 3.760 1.00 3.44 C ATOM 0 H PHE A 58 2.832 7.706 -0.537 1.00 72.55 H new ATOM 0 HA PHE A 58 2.619 9.490 1.630 1.00 23.33 H new ATOM 0 HB2 PHE A 58 4.654 7.347 0.901 1.00 40.41 H new ATOM 0 HB3 PHE A 58 4.799 8.286 2.373 1.00 40.41 H new ATOM 0 HD1 PHE A 58 2.253 8.395 3.623 1.00 41.15 H new ATOM 0 HD2 PHE A 58 3.857 5.184 1.304 1.00 72.31 H new ATOM 0 HE1 PHE A 58 0.832 6.797 4.829 1.00 62.43 H new ATOM 0 HE2 PHE A 58 2.455 3.594 2.530 1.00 60.14 H new ATOM 0 HZ PHE A 58 0.953 4.395 4.305 1.00 3.44 H new ATOM 944 N ASP A 59 5.061 10.111 -0.526 1.00 70.23 N ATOM 945 CA ASP A 59 6.055 11.113 -0.976 1.00 1.20 C ATOM 946 C ASP A 59 5.373 12.444 -1.324 1.00 2.30 C ATOM 947 O ASP A 59 5.933 13.519 -1.087 1.00 54.40 O ATOM 948 CB ASP A 59 6.870 10.591 -2.192 1.00 4.25 C ATOM 949 CG ASP A 59 7.782 9.398 -1.857 1.00 22.11 C ATOM 950 OD1 ASP A 59 8.518 9.486 -0.849 1.00 2.25 O ATOM 951 OD2 ASP A 59 7.788 8.386 -2.598 1.00 20.13 O ATOM 0 H ASP A 59 4.912 9.353 -1.192 1.00 70.23 H new ATOM 0 HA ASP A 59 6.746 11.283 -0.151 1.00 1.20 H new ATOM 0 HB2 ASP A 59 6.179 10.298 -2.983 1.00 4.25 H new ATOM 0 HB3 ASP A 59 7.480 11.404 -2.586 1.00 4.25 H new ATOM 956 N ALA A 60 4.148 12.351 -1.881 1.00 54.43 N ATOM 957 CA ALA A 60 3.304 13.519 -2.195 1.00 64.20 C ATOM 958 C ALA A 60 2.858 14.228 -0.899 1.00 22.42 C ATOM 959 O ALA A 60 2.797 15.459 -0.843 1.00 43.32 O ATOM 960 CB ALA A 60 2.090 13.087 -3.046 1.00 14.43 C ATOM 0 H ALA A 60 3.716 11.460 -2.126 1.00 54.43 H new ATOM 0 HA ALA A 60 3.889 14.231 -2.778 1.00 64.20 H new ATOM 0 HB1 ALA A 60 1.475 13.958 -3.271 1.00 14.43 H new ATOM 0 HB2 ALA A 60 2.439 12.639 -3.976 1.00 14.43 H new ATOM 0 HB3 ALA A 60 1.498 12.358 -2.492 1.00 14.43 H new ATOM 966 N GLU A 61 2.590 13.423 0.148 1.00 71.41 N ATOM 967 CA GLU A 61 2.209 13.907 1.491 1.00 44.23 C ATOM 968 C GLU A 61 3.451 14.279 2.324 1.00 31.44 C ATOM 969 O GLU A 61 3.321 14.884 3.391 1.00 44.02 O ATOM 970 CB GLU A 61 1.394 12.813 2.227 1.00 70.11 C ATOM 971 CG GLU A 61 0.122 12.370 1.490 1.00 74.11 C ATOM 972 CD GLU A 61 -0.877 13.513 1.246 1.00 20.51 C ATOM 973 OE1 GLU A 61 -1.718 13.781 2.133 1.00 20.41 O ATOM 974 OE2 GLU A 61 -0.846 14.135 0.158 1.00 3.11 O ATOM 0 H GLU A 61 2.632 12.406 0.085 1.00 71.41 H new ATOM 0 HA GLU A 61 1.600 14.803 1.371 1.00 44.23 H new ATOM 0 HB2 GLU A 61 2.032 11.943 2.381 1.00 70.11 H new ATOM 0 HB3 GLU A 61 1.118 13.184 3.214 1.00 70.11 H new ATOM 0 HG2 GLU A 61 0.401 11.932 0.532 1.00 74.11 H new ATOM 0 HG3 GLU A 61 -0.369 11.587 2.068 1.00 74.11 H new ATOM 981 N HIS A 62 4.643 13.879 1.822 1.00 4.32 N ATOM 982 CA HIS A 62 5.949 14.078 2.493 1.00 35.03 C ATOM 983 C HIS A 62 6.065 13.267 3.797 1.00 63.44 C ATOM 984 O HIS A 62 6.913 13.561 4.646 1.00 14.04 O ATOM 985 CB HIS A 62 6.272 15.591 2.714 1.00 4.21 C ATOM 986 CG HIS A 62 6.563 16.324 1.436 1.00 25.04 C ATOM 987 ND1 HIS A 62 7.776 16.925 1.172 1.00 41.10 N ATOM 988 CD2 HIS A 62 5.792 16.562 0.350 1.00 21.41 C ATOM 989 CE1 HIS A 62 7.745 17.470 -0.022 1.00 51.03 C ATOM 990 NE2 HIS A 62 6.551 17.270 -0.533 1.00 44.03 N ATOM 0 H HIS A 62 4.725 13.401 0.925 1.00 4.32 H new ATOM 0 HA HIS A 62 6.708 13.689 1.815 1.00 35.03 H new ATOM 0 HB2 HIS A 62 5.429 16.067 3.215 1.00 4.21 H new ATOM 0 HB3 HIS A 62 7.130 15.680 3.380 1.00 4.21 H new ATOM 0 HD2 HIS A 62 4.768 16.250 0.209 1.00 21.41 H new ATOM 0 HE1 HIS A 62 8.560 17.992 -0.501 1.00 51.03 H new ATOM 0 HE2 HIS A 62 6.240 17.594 -1.449 1.00 44.03 H new ATOM 999 N ASP A 63 5.259 12.194 3.894 1.00 15.31 N ATOM 1000 CA ASP A 63 5.289 11.245 5.011 1.00 12.20 C ATOM 1001 C ASP A 63 6.468 10.280 4.792 1.00 51.25 C ATOM 1002 O ASP A 63 6.370 9.309 4.025 1.00 53.03 O ATOM 1003 CB ASP A 63 3.945 10.464 5.093 1.00 71.01 C ATOM 1004 CG ASP A 63 3.871 9.502 6.293 1.00 34.11 C ATOM 1005 OD1 ASP A 63 3.689 9.976 7.438 1.00 12.03 O ATOM 1006 OD2 ASP A 63 3.995 8.274 6.109 1.00 62.43 O ATOM 0 H ASP A 63 4.561 11.963 3.187 1.00 15.31 H new ATOM 0 HA ASP A 63 5.419 11.778 5.953 1.00 12.20 H new ATOM 0 HB2 ASP A 63 3.122 11.176 5.156 1.00 71.01 H new ATOM 0 HB3 ASP A 63 3.806 9.897 4.173 1.00 71.01 H new ATOM 1011 N THR A 64 7.605 10.625 5.411 1.00 3.22 N ATOM 1012 CA THR A 64 8.873 9.887 5.264 1.00 51.41 C ATOM 1013 C THR A 64 8.770 8.452 5.826 1.00 21.12 C ATOM 1014 O THR A 64 9.359 7.527 5.274 1.00 50.23 O ATOM 1015 CB THR A 64 10.058 10.671 5.934 1.00 14.31 C ATOM 1016 OG1 THR A 64 11.301 9.979 5.734 1.00 62.30 O ATOM 1017 CG2 THR A 64 9.830 10.897 7.440 1.00 62.14 C ATOM 0 H THR A 64 7.674 11.430 6.033 1.00 3.22 H new ATOM 0 HA THR A 64 9.080 9.802 4.197 1.00 51.41 H new ATOM 0 HB THR A 64 10.102 11.647 5.451 1.00 14.31 H new ATOM 0 HG1 THR A 64 12.028 10.483 6.157 1.00 62.30 H new ATOM 0 HG21 THR A 64 10.676 11.443 7.858 1.00 62.14 H new ATOM 0 HG22 THR A 64 8.917 11.474 7.587 1.00 62.14 H new ATOM 0 HG23 THR A 64 9.735 9.934 7.942 1.00 62.14 H new ATOM 1025 N ASP A 65 7.969 8.293 6.904 1.00 23.04 N ATOM 1026 CA ASP A 65 7.762 7.012 7.604 1.00 44.24 C ATOM 1027 C ASP A 65 7.231 5.926 6.656 1.00 24.35 C ATOM 1028 O ASP A 65 7.893 4.905 6.438 1.00 5.30 O ATOM 1029 CB ASP A 65 6.781 7.223 8.796 1.00 11.32 C ATOM 1030 CG ASP A 65 6.337 5.901 9.444 1.00 42.33 C ATOM 1031 OD1 ASP A 65 7.158 5.276 10.149 1.00 31.44 O ATOM 1032 OD2 ASP A 65 5.171 5.485 9.241 1.00 12.32 O ATOM 0 H ASP A 65 7.442 9.064 7.315 1.00 23.04 H new ATOM 0 HA ASP A 65 8.725 6.669 7.981 1.00 44.24 H new ATOM 0 HB2 ASP A 65 7.261 7.848 9.549 1.00 11.32 H new ATOM 0 HB3 ASP A 65 5.902 7.764 8.446 1.00 11.32 H new ATOM 1037 N GLY A 66 6.067 6.198 6.052 1.00 1.55 N ATOM 1038 CA GLY A 66 5.369 5.224 5.223 1.00 61.32 C ATOM 1039 C GLY A 66 6.070 4.950 3.915 1.00 13.04 C ATOM 1040 O GLY A 66 5.990 3.834 3.401 1.00 12.10 O ATOM 0 H GLY A 66 5.590 7.096 6.127 1.00 1.55 H new ATOM 0 HA2 GLY A 66 5.268 4.291 5.777 1.00 61.32 H new ATOM 0 HA3 GLY A 66 4.361 5.585 5.020 1.00 61.32 H new ATOM 1044 N ALA A 67 6.752 5.970 3.369 1.00 0.50 N ATOM 1045 CA ALA A 67 7.519 5.826 2.123 1.00 23.33 C ATOM 1046 C ALA A 67 8.727 4.887 2.320 1.00 12.31 C ATOM 1047 O ALA A 67 9.005 4.023 1.477 1.00 4.34 O ATOM 1048 CB ALA A 67 7.959 7.199 1.627 1.00 10.14 C ATOM 0 H ALA A 67 6.787 6.906 3.773 1.00 0.50 H new ATOM 0 HA ALA A 67 6.879 5.372 1.366 1.00 23.33 H new ATOM 0 HB1 ALA A 67 8.527 7.087 0.703 1.00 10.14 H new ATOM 0 HB2 ALA A 67 7.081 7.817 1.440 1.00 10.14 H new ATOM 0 HB3 ALA A 67 8.584 7.675 2.382 1.00 10.14 H new ATOM 1054 N ARG A 68 9.416 5.050 3.467 1.00 20.44 N ATOM 1055 CA ARG A 68 10.568 4.205 3.850 1.00 71.04 C ATOM 1056 C ARG A 68 10.099 2.793 4.248 1.00 4.23 C ATOM 1057 O ARG A 68 10.809 1.815 4.022 1.00 12.51 O ATOM 1058 CB ARG A 68 11.349 4.858 5.022 1.00 62.13 C ATOM 1059 CG ARG A 68 12.080 6.172 4.655 1.00 22.13 C ATOM 1060 CD ARG A 68 12.681 6.863 5.894 1.00 1.32 C ATOM 1061 NE ARG A 68 13.654 6.004 6.595 1.00 54.33 N ATOM 1062 CZ ARG A 68 14.935 6.317 6.843 1.00 30.52 C ATOM 1063 NH1 ARG A 68 15.450 7.485 6.466 1.00 12.44 N ATOM 1064 NH2 ARG A 68 15.702 5.434 7.463 1.00 11.34 N ATOM 0 H ARG A 68 9.191 5.770 4.154 1.00 20.44 H new ATOM 0 HA ARG A 68 11.230 4.119 2.989 1.00 71.04 H new ATOM 0 HB2 ARG A 68 10.654 5.060 5.837 1.00 62.13 H new ATOM 0 HB3 ARG A 68 12.081 4.143 5.397 1.00 62.13 H new ATOM 0 HG2 ARG A 68 12.873 5.958 3.939 1.00 22.13 H new ATOM 0 HG3 ARG A 68 11.382 6.850 4.164 1.00 22.13 H new ATOM 0 HD2 ARG A 68 13.169 7.789 5.590 1.00 1.32 H new ATOM 0 HD3 ARG A 68 11.879 7.136 6.580 1.00 1.32 H new ATOM 0 HE ARG A 68 13.325 5.094 6.919 1.00 54.33 H new ATOM 0 HH11 ARG A 68 14.868 8.165 5.977 1.00 12.44 H new ATOM 0 HH12 ARG A 68 16.427 7.700 6.666 1.00 12.44 H new ATOM 0 HH21 ARG A 68 15.317 4.532 7.744 1.00 11.34 H new ATOM 0 HH22 ARG A 68 16.678 5.655 7.660 1.00 11.34 H new ATOM 1078 N ARG A 69 8.893 2.709 4.831 1.00 25.32 N ATOM 1079 CA ARG A 69 8.284 1.436 5.278 1.00 71.52 C ATOM 1080 C ARG A 69 7.780 0.628 4.068 1.00 10.33 C ATOM 1081 O ARG A 69 7.804 -0.608 4.077 1.00 43.52 O ATOM 1082 CB ARG A 69 7.126 1.721 6.276 1.00 42.13 C ATOM 1083 CG ARG A 69 6.544 0.466 6.953 1.00 61.02 C ATOM 1084 CD ARG A 69 5.320 0.753 7.839 1.00 51.21 C ATOM 1085 NE ARG A 69 4.670 -0.503 8.249 1.00 73.34 N ATOM 1086 CZ ARG A 69 3.569 -0.622 9.007 1.00 13.53 C ATOM 1087 NH1 ARG A 69 2.938 0.447 9.490 1.00 45.23 N ATOM 1088 NH2 ARG A 69 3.094 -1.833 9.270 1.00 22.12 N ATOM 0 H ARG A 69 8.306 3.524 5.009 1.00 25.32 H new ATOM 0 HA ARG A 69 9.041 0.842 5.789 1.00 71.52 H new ATOM 0 HB2 ARG A 69 7.487 2.400 7.048 1.00 42.13 H new ATOM 0 HB3 ARG A 69 6.325 2.237 5.746 1.00 42.13 H new ATOM 0 HG2 ARG A 69 6.264 -0.254 6.184 1.00 61.02 H new ATOM 0 HG3 ARG A 69 7.319 -0.001 7.560 1.00 61.02 H new ATOM 0 HD2 ARG A 69 5.627 1.315 8.721 1.00 51.21 H new ATOM 0 HD3 ARG A 69 4.609 1.376 7.296 1.00 51.21 H new ATOM 0 HE ARG A 69 5.100 -1.369 7.924 1.00 73.34 H new ATOM 0 HH11 ARG A 69 3.290 1.382 9.286 1.00 45.23 H new ATOM 0 HH12 ARG A 69 2.103 0.330 10.064 1.00 45.23 H new ATOM 0 HH21 ARG A 69 3.565 -2.658 8.897 1.00 22.12 H new ATOM 0 HH22 ARG A 69 2.258 -1.939 9.845 1.00 22.12 H new ATOM 1102 N ALA A 70 7.330 1.352 3.029 1.00 34.23 N ATOM 1103 CA ALA A 70 6.909 0.755 1.757 1.00 20.02 C ATOM 1104 C ALA A 70 8.136 0.251 1.001 1.00 71.14 C ATOM 1105 O ALA A 70 8.098 -0.818 0.411 1.00 44.30 O ATOM 1106 CB ALA A 70 6.105 1.755 0.920 1.00 71.00 C ATOM 0 H ALA A 70 7.249 2.369 3.051 1.00 34.23 H new ATOM 0 HA ALA A 70 6.253 -0.091 1.959 1.00 20.02 H new ATOM 0 HB1 ALA A 70 5.805 1.287 -0.018 1.00 71.00 H new ATOM 0 HB2 ALA A 70 5.217 2.061 1.473 1.00 71.00 H new ATOM 0 HB3 ALA A 70 6.720 2.630 0.708 1.00 71.00 H new ATOM 1112 N ALA A 71 9.235 1.038 1.071 1.00 70.51 N ATOM 1113 CA ALA A 71 10.543 0.670 0.505 1.00 73.20 C ATOM 1114 C ALA A 71 11.158 -0.535 1.244 1.00 64.41 C ATOM 1115 O ALA A 71 11.911 -1.312 0.650 1.00 13.32 O ATOM 1116 CB ALA A 71 11.484 1.871 0.558 1.00 73.25 C ATOM 0 H ALA A 71 9.233 1.951 1.526 1.00 70.51 H new ATOM 0 HA ALA A 71 10.396 0.375 -0.534 1.00 73.20 H new ATOM 0 HB1 ALA A 71 12.451 1.594 0.138 1.00 73.25 H new ATOM 0 HB2 ALA A 71 11.059 2.692 -0.020 1.00 73.25 H new ATOM 0 HB3 ALA A 71 11.615 2.185 1.593 1.00 73.25 H new ATOM 1122 N LYS A 72 10.835 -0.664 2.548 1.00 64.43 N ATOM 1123 CA LYS A 72 11.232 -1.818 3.376 1.00 74.25 C ATOM 1124 C LYS A 72 10.483 -3.077 2.908 1.00 10.11 C ATOM 1125 O LYS A 72 11.096 -4.114 2.655 1.00 45.35 O ATOM 1126 CB LYS A 72 10.942 -1.528 4.878 1.00 21.44 C ATOM 1127 CG LYS A 72 11.247 -2.695 5.857 1.00 31.51 C ATOM 1128 CD LYS A 72 12.731 -3.137 5.850 1.00 30.42 C ATOM 1129 CE LYS A 72 13.681 -2.063 6.404 1.00 0.13 C ATOM 1130 NZ LYS A 72 15.108 -2.478 6.300 1.00 64.43 N ATOM 0 H LYS A 72 10.290 0.032 3.056 1.00 64.43 H new ATOM 0 HA LYS A 72 12.303 -1.989 3.264 1.00 74.25 H new ATOM 0 HB2 LYS A 72 11.527 -0.660 5.182 1.00 21.44 H new ATOM 0 HB3 LYS A 72 9.892 -1.256 4.981 1.00 21.44 H new ATOM 0 HG2 LYS A 72 10.971 -2.392 6.867 1.00 31.51 H new ATOM 0 HG3 LYS A 72 10.621 -3.549 5.598 1.00 31.51 H new ATOM 0 HD2 LYS A 72 12.836 -4.047 6.441 1.00 30.42 H new ATOM 0 HD3 LYS A 72 13.026 -3.384 4.830 1.00 30.42 H new ATOM 0 HE2 LYS A 72 13.533 -1.131 5.859 1.00 0.13 H new ATOM 0 HE3 LYS A 72 13.436 -1.864 7.447 1.00 0.13 H new ATOM 0 HZ1 LYS A 72 15.717 -1.727 6.684 1.00 64.43 H new ATOM 0 HZ2 LYS A 72 15.255 -3.354 6.841 1.00 64.43 H new ATOM 0 HZ3 LYS A 72 15.350 -2.643 5.302 1.00 64.43 H new ATOM 1144 N SER A 73 9.154 -2.945 2.760 1.00 43.31 N ATOM 1145 CA SER A 73 8.282 -4.031 2.287 1.00 41.32 C ATOM 1146 C SER A 73 8.617 -4.442 0.840 1.00 42.21 C ATOM 1147 O SER A 73 8.445 -5.597 0.461 1.00 52.24 O ATOM 1148 CB SER A 73 6.817 -3.591 2.411 1.00 54.40 C ATOM 1149 OG SER A 73 6.476 -3.361 3.764 1.00 54.30 O ATOM 0 H SER A 73 8.654 -2.080 2.966 1.00 43.31 H new ATOM 0 HA SER A 73 8.449 -4.910 2.909 1.00 41.32 H new ATOM 0 HB2 SER A 73 6.655 -2.683 1.831 1.00 54.40 H new ATOM 0 HB3 SER A 73 6.165 -4.358 1.992 1.00 54.40 H new ATOM 0 HG SER A 73 5.872 -4.068 4.074 1.00 54.30 H new ATOM 1155 N LEU A 74 9.101 -3.461 0.056 1.00 70.12 N ATOM 1156 CA LEU A 74 9.586 -3.678 -1.310 1.00 50.03 C ATOM 1157 C LEU A 74 10.896 -4.469 -1.299 1.00 24.53 C ATOM 1158 O LEU A 74 11.050 -5.404 -2.075 1.00 42.25 O ATOM 1159 CB LEU A 74 9.767 -2.314 -2.042 1.00 72.21 C ATOM 1160 CG LEU A 74 8.462 -1.696 -2.625 1.00 11.33 C ATOM 1161 CD1 LEU A 74 8.650 -0.230 -3.040 1.00 53.31 C ATOM 1162 CD2 LEU A 74 7.946 -2.536 -3.807 1.00 24.03 C ATOM 0 H LEU A 74 9.165 -2.489 0.360 1.00 70.12 H new ATOM 0 HA LEU A 74 8.844 -4.264 -1.853 1.00 50.03 H new ATOM 0 HB2 LEU A 74 10.207 -1.601 -1.345 1.00 72.21 H new ATOM 0 HB3 LEU A 74 10.481 -2.448 -2.855 1.00 72.21 H new ATOM 0 HG LEU A 74 7.715 -1.711 -1.832 1.00 11.33 H new ATOM 0 HD11 LEU A 74 7.713 0.158 -3.441 1.00 53.31 H new ATOM 0 HD12 LEU A 74 8.945 0.359 -2.172 1.00 53.31 H new ATOM 0 HD13 LEU A 74 9.426 -0.164 -3.803 1.00 53.31 H new ATOM 0 HD21 LEU A 74 7.034 -2.088 -4.201 1.00 24.03 H new ATOM 0 HD22 LEU A 74 8.703 -2.565 -4.590 1.00 24.03 H new ATOM 0 HD23 LEU A 74 7.735 -3.550 -3.468 1.00 24.03 H new ATOM 1174 N SER A 75 11.818 -4.102 -0.380 1.00 63.22 N ATOM 1175 CA SER A 75 13.133 -4.762 -0.236 1.00 72.24 C ATOM 1176 C SER A 75 12.947 -6.273 0.054 1.00 42.33 C ATOM 1177 O SER A 75 13.691 -7.108 -0.462 1.00 14.35 O ATOM 1178 CB SER A 75 13.944 -4.069 0.892 1.00 53.12 C ATOM 1179 OG SER A 75 15.265 -4.583 0.994 1.00 52.53 O ATOM 0 H SER A 75 11.670 -3.340 0.282 1.00 63.22 H new ATOM 0 HA SER A 75 13.690 -4.668 -1.169 1.00 72.24 H new ATOM 0 HB2 SER A 75 13.986 -2.997 0.701 1.00 53.12 H new ATOM 0 HB3 SER A 75 13.429 -4.203 1.843 1.00 53.12 H new ATOM 0 HG SER A 75 15.742 -4.119 1.714 1.00 52.53 H new ATOM 1185 N GLU A 76 11.904 -6.588 0.854 1.00 31.43 N ATOM 1186 CA GLU A 76 11.499 -7.970 1.193 1.00 11.50 C ATOM 1187 C GLU A 76 10.856 -8.668 -0.020 1.00 33.31 C ATOM 1188 O GLU A 76 11.208 -9.801 -0.359 1.00 45.11 O ATOM 1189 CB GLU A 76 10.491 -7.938 2.364 1.00 63.14 C ATOM 1190 CG GLU A 76 11.011 -7.246 3.629 1.00 23.23 C ATOM 1191 CD GLU A 76 9.920 -7.131 4.691 1.00 31.43 C ATOM 1192 OE1 GLU A 76 9.601 -8.159 5.331 1.00 51.43 O ATOM 1193 OE2 GLU A 76 9.348 -6.035 4.876 1.00 4.11 O ATOM 0 H GLU A 76 11.312 -5.880 1.288 1.00 31.43 H new ATOM 0 HA GLU A 76 12.388 -8.530 1.482 1.00 11.50 H new ATOM 0 HB2 GLU A 76 9.585 -7.430 2.033 1.00 63.14 H new ATOM 0 HB3 GLU A 76 10.210 -8.961 2.614 1.00 63.14 H new ATOM 0 HG2 GLU A 76 11.855 -7.807 4.031 1.00 23.23 H new ATOM 0 HG3 GLU A 76 11.380 -6.252 3.376 1.00 23.23 H new ATOM 1200 N ALA A 77 9.926 -7.945 -0.672 1.00 51.43 N ATOM 1201 CA ALA A 77 9.110 -8.462 -1.783 1.00 62.03 C ATOM 1202 C ALA A 77 9.975 -8.821 -3.007 1.00 33.44 C ATOM 1203 O ALA A 77 9.723 -9.827 -3.673 1.00 5.51 O ATOM 1204 CB ALA A 77 8.028 -7.433 -2.150 1.00 61.31 C ATOM 0 H ALA A 77 9.719 -6.974 -0.438 1.00 51.43 H new ATOM 0 HA ALA A 77 8.628 -9.384 -1.457 1.00 62.03 H new ATOM 0 HB1 ALA A 77 7.425 -7.817 -2.973 1.00 61.31 H new ATOM 0 HB2 ALA A 77 7.390 -7.252 -1.285 1.00 61.31 H new ATOM 0 HB3 ALA A 77 8.502 -6.499 -2.453 1.00 61.31 H new ATOM 1210 N TYR A 78 11.009 -8.003 -3.266 1.00 5.20 N ATOM 1211 CA TYR A 78 11.939 -8.226 -4.379 1.00 64.34 C ATOM 1212 C TYR A 78 12.773 -9.497 -4.149 1.00 32.00 C ATOM 1213 O TYR A 78 13.031 -10.224 -5.099 1.00 33.42 O ATOM 1214 CB TYR A 78 12.848 -6.990 -4.609 1.00 33.00 C ATOM 1215 CG TYR A 78 12.113 -5.777 -5.209 1.00 43.44 C ATOM 1216 CD1 TYR A 78 11.299 -5.917 -6.334 1.00 64.11 C ATOM 1217 CD2 TYR A 78 12.225 -4.502 -4.653 1.00 74.11 C ATOM 1218 CE1 TYR A 78 10.632 -4.834 -6.873 1.00 50.34 C ATOM 1219 CE2 TYR A 78 11.558 -3.421 -5.185 1.00 21.12 C ATOM 1220 CZ TYR A 78 10.762 -3.591 -6.291 1.00 22.23 C ATOM 1221 OH TYR A 78 10.087 -2.511 -6.825 1.00 61.45 O ATOM 0 H TYR A 78 11.221 -7.174 -2.711 1.00 5.20 H new ATOM 0 HA TYR A 78 11.350 -8.371 -5.284 1.00 64.34 H new ATOM 0 HB2 TYR A 78 13.295 -6.698 -3.659 1.00 33.00 H new ATOM 0 HB3 TYR A 78 13.666 -7.271 -5.272 1.00 33.00 H new ATOM 0 HD1 TYR A 78 11.189 -6.889 -6.791 1.00 64.11 H new ATOM 0 HD2 TYR A 78 12.850 -4.359 -3.784 1.00 74.11 H new ATOM 0 HE1 TYR A 78 10.011 -4.961 -7.747 1.00 50.34 H new ATOM 0 HE2 TYR A 78 11.660 -2.445 -4.735 1.00 21.12 H new ATOM 0 HH TYR A 78 10.284 -1.709 -6.298 1.00 61.45 H new ATOM 1231 N GLN A 79 13.145 -9.764 -2.875 1.00 32.01 N ATOM 1232 CA GLN A 79 13.878 -10.997 -2.476 1.00 63.52 C ATOM 1233 C GLN A 79 13.071 -12.264 -2.823 1.00 54.11 C ATOM 1234 O GLN A 79 13.644 -13.304 -3.160 1.00 4.33 O ATOM 1235 CB GLN A 79 14.206 -10.969 -0.957 1.00 53.53 C ATOM 1236 CG GLN A 79 15.198 -9.864 -0.550 1.00 12.43 C ATOM 1237 CD GLN A 79 15.353 -9.697 0.963 1.00 22.34 C ATOM 1238 OE1 GLN A 79 14.425 -9.953 1.733 1.00 13.31 O ATOM 1239 NE2 GLN A 79 16.527 -9.256 1.407 1.00 75.23 N ATOM 0 H GLN A 79 12.948 -9.136 -2.095 1.00 32.01 H new ATOM 0 HA GLN A 79 14.812 -11.025 -3.038 1.00 63.52 H new ATOM 0 HB2 GLN A 79 13.280 -10.835 -0.398 1.00 53.53 H new ATOM 0 HB3 GLN A 79 14.616 -11.936 -0.667 1.00 53.53 H new ATOM 0 HG2 GLN A 79 16.173 -10.087 -0.983 1.00 12.43 H new ATOM 0 HG3 GLN A 79 14.868 -8.917 -0.978 1.00 12.43 H new ATOM 0 HE21 GLN A 79 17.278 -9.052 0.747 1.00 75.23 H new ATOM 0 HE22 GLN A 79 16.676 -9.122 2.407 1.00 75.23 H new ATOM 1248 N LYS A 80 11.731 -12.151 -2.741 1.00 52.11 N ATOM 1249 CA LYS A 80 10.802 -13.247 -3.085 1.00 74.11 C ATOM 1250 C LYS A 80 10.691 -13.409 -4.611 1.00 42.42 C ATOM 1251 O LYS A 80 10.540 -14.516 -5.119 1.00 65.35 O ATOM 1252 CB LYS A 80 9.405 -12.977 -2.460 1.00 12.24 C ATOM 1253 CG LYS A 80 9.453 -12.739 -0.938 1.00 31.34 C ATOM 1254 CD LYS A 80 8.060 -12.492 -0.317 1.00 11.10 C ATOM 1255 CE LYS A 80 8.124 -12.226 1.192 1.00 11.34 C ATOM 1256 NZ LYS A 80 6.769 -12.089 1.795 1.00 71.53 N ATOM 0 H LYS A 80 11.262 -11.299 -2.435 1.00 52.11 H new ATOM 0 HA LYS A 80 11.195 -14.177 -2.675 1.00 74.11 H new ATOM 0 HB2 LYS A 80 8.961 -12.107 -2.943 1.00 12.24 H new ATOM 0 HB3 LYS A 80 8.752 -13.825 -2.668 1.00 12.24 H new ATOM 0 HG2 LYS A 80 9.911 -13.603 -0.456 1.00 31.34 H new ATOM 0 HG3 LYS A 80 10.093 -11.882 -0.731 1.00 31.34 H new ATOM 0 HD2 LYS A 80 7.591 -11.642 -0.812 1.00 11.10 H new ATOM 0 HD3 LYS A 80 7.425 -13.358 -0.503 1.00 11.10 H new ATOM 0 HE2 LYS A 80 8.657 -13.041 1.681 1.00 11.34 H new ATOM 0 HE3 LYS A 80 8.696 -11.316 1.375 1.00 11.34 H new ATOM 0 HZ1 LYS A 80 6.816 -11.447 2.612 1.00 71.53 H new ATOM 0 HZ2 LYS A 80 6.112 -11.702 1.088 1.00 71.53 H new ATOM 0 HZ3 LYS A 80 6.432 -13.022 2.107 1.00 71.53 H new ATOM 1270 N VAL A 81 10.776 -12.280 -5.332 1.00 33.00 N ATOM 1271 CA VAL A 81 10.710 -12.240 -6.809 1.00 54.32 C ATOM 1272 C VAL A 81 12.084 -12.571 -7.446 1.00 2.34 C ATOM 1273 O VAL A 81 12.164 -12.887 -8.641 1.00 65.32 O ATOM 1274 CB VAL A 81 10.148 -10.833 -7.276 1.00 31.02 C ATOM 1275 CG1 VAL A 81 10.182 -10.636 -8.809 1.00 72.54 C ATOM 1276 CG2 VAL A 81 8.708 -10.637 -6.742 1.00 1.24 C ATOM 0 H VAL A 81 10.893 -11.360 -4.907 1.00 33.00 H new ATOM 0 HA VAL A 81 10.023 -13.011 -7.158 1.00 54.32 H new ATOM 0 HB VAL A 81 10.810 -10.076 -6.855 1.00 31.02 H new ATOM 0 HG11 VAL A 81 9.783 -9.653 -9.058 1.00 72.54 H new ATOM 0 HG12 VAL A 81 11.210 -10.711 -9.163 1.00 72.54 H new ATOM 0 HG13 VAL A 81 9.576 -11.405 -9.288 1.00 72.54 H new ATOM 0 HG21 VAL A 81 8.328 -9.668 -7.067 1.00 1.24 H new ATOM 0 HG22 VAL A 81 8.065 -11.427 -7.130 1.00 1.24 H new ATOM 0 HG23 VAL A 81 8.715 -10.677 -5.653 1.00 1.24 H new ATOM 1286 N GLU A 82 13.163 -12.554 -6.635 1.00 73.43 N ATOM 1287 CA GLU A 82 14.516 -12.904 -7.115 1.00 24.34 C ATOM 1288 C GLU A 82 14.589 -14.365 -7.587 1.00 62.10 C ATOM 1289 O GLU A 82 14.016 -15.268 -6.963 1.00 22.31 O ATOM 1290 CB GLU A 82 15.603 -12.668 -6.029 1.00 72.12 C ATOM 1291 CG GLU A 82 15.905 -11.194 -5.700 1.00 35.44 C ATOM 1292 CD GLU A 82 16.244 -10.350 -6.937 1.00 43.12 C ATOM 1293 OE1 GLU A 82 17.311 -10.576 -7.551 1.00 30.20 O ATOM 1294 OE2 GLU A 82 15.443 -9.473 -7.315 1.00 61.25 O ATOM 0 H GLU A 82 13.123 -12.302 -5.647 1.00 73.43 H new ATOM 0 HA GLU A 82 14.715 -12.243 -7.958 1.00 24.34 H new ATOM 0 HB2 GLU A 82 15.291 -13.170 -5.113 1.00 72.12 H new ATOM 0 HB3 GLU A 82 16.527 -13.146 -6.355 1.00 72.12 H new ATOM 0 HG2 GLU A 82 15.042 -10.758 -5.197 1.00 35.44 H new ATOM 0 HG3 GLU A 82 16.739 -11.149 -4.999 1.00 35.44 H new ATOM 1301 N GLY A 83 15.287 -14.553 -8.704 1.00 44.44 N ATOM 1302 CA GLY A 83 15.611 -15.868 -9.257 1.00 32.11 C ATOM 1303 C GLY A 83 17.034 -15.890 -9.779 1.00 53.34 C ATOM 1304 O GLY A 83 17.360 -16.654 -10.699 1.00 14.34 O ATOM 0 H GLY A 83 15.651 -13.781 -9.262 1.00 44.44 H new ATOM 0 HA2 GLY A 83 15.487 -16.632 -8.489 1.00 32.11 H new ATOM 0 HA3 GLY A 83 14.918 -16.111 -10.063 1.00 32.11 H new ATOM 1308 N SER A 84 17.895 -15.064 -9.148 1.00 22.43 N ATOM 1309 CA SER A 84 19.285 -14.855 -9.562 1.00 75.23 C ATOM 1310 C SER A 84 20.127 -16.103 -9.274 1.00 41.41 C ATOM 1311 O SER A 84 21.046 -16.423 -10.033 1.00 13.35 O ATOM 1312 CB SER A 84 19.877 -13.620 -8.831 1.00 73.04 C ATOM 1313 OG SER A 84 21.194 -13.340 -9.278 1.00 50.15 O ATOM 0 H SER A 84 17.634 -14.519 -8.326 1.00 22.43 H new ATOM 0 HA SER A 84 19.305 -14.671 -10.636 1.00 75.23 H new ATOM 0 HB2 SER A 84 19.240 -12.753 -9.003 1.00 73.04 H new ATOM 0 HB3 SER A 84 19.886 -13.800 -7.756 1.00 73.04 H new ATOM 0 HG SER A 84 21.541 -12.557 -8.802 1.00 50.15 H new ATOM 1319 N GLY A 85 19.810 -16.796 -8.161 1.00 51.50 N ATOM 1320 CA GLY A 85 20.527 -18.004 -7.756 1.00 63.11 C ATOM 1321 C GLY A 85 21.629 -17.705 -6.757 1.00 25.31 C ATOM 1322 O GLY A 85 21.803 -18.434 -5.774 1.00 61.11 O ATOM 0 H GLY A 85 19.055 -16.530 -7.528 1.00 51.50 H new ATOM 0 HA2 GLY A 85 19.824 -18.713 -7.318 1.00 63.11 H new ATOM 0 HA3 GLY A 85 20.956 -18.483 -8.636 1.00 63.11 H new ATOM 1326 N ASP A 86 22.383 -16.625 -7.020 1.00 22.32 N ATOM 1327 CA ASP A 86 23.471 -16.172 -6.149 1.00 50.22 C ATOM 1328 C ASP A 86 22.893 -15.493 -4.898 1.00 63.14 C ATOM 1329 O ASP A 86 22.113 -14.542 -5.009 1.00 60.34 O ATOM 1330 CB ASP A 86 24.408 -15.190 -6.907 1.00 2.12 C ATOM 1331 CG ASP A 86 25.592 -14.691 -6.046 1.00 13.02 C ATOM 1332 OD1 ASP A 86 26.371 -15.535 -5.558 1.00 31.32 O ATOM 1333 OD2 ASP A 86 25.757 -13.461 -5.860 1.00 34.22 O ATOM 0 H ASP A 86 22.252 -16.042 -7.847 1.00 22.32 H new ATOM 0 HA ASP A 86 24.057 -17.040 -5.845 1.00 50.22 H new ATOM 0 HB2 ASP A 86 24.797 -15.684 -7.797 1.00 2.12 H new ATOM 0 HB3 ASP A 86 23.827 -14.332 -7.246 1.00 2.12 H new ATOM 1338 N LYS A 87 23.249 -16.018 -3.720 1.00 73.11 N ATOM 1339 CA LYS A 87 22.837 -15.464 -2.418 1.00 44.45 C ATOM 1340 C LYS A 87 24.005 -14.672 -1.808 1.00 55.52 C ATOM 1341 O LYS A 87 25.178 -15.017 -2.018 1.00 23.22 O ATOM 1342 CB LYS A 87 22.385 -16.605 -1.471 1.00 52.55 C ATOM 1343 CG LYS A 87 21.191 -17.421 -2.015 1.00 42.40 C ATOM 1344 CD LYS A 87 19.909 -16.572 -2.188 1.00 35.33 C ATOM 1345 CE LYS A 87 18.749 -17.366 -2.824 1.00 14.24 C ATOM 1346 NZ LYS A 87 18.392 -18.587 -2.051 1.00 62.15 N ATOM 0 H LYS A 87 23.837 -16.848 -3.639 1.00 73.11 H new ATOM 0 HA LYS A 87 21.992 -14.790 -2.558 1.00 44.45 H new ATOM 0 HB2 LYS A 87 23.225 -17.277 -1.298 1.00 52.55 H new ATOM 0 HB3 LYS A 87 22.114 -16.179 -0.505 1.00 52.55 H new ATOM 0 HG2 LYS A 87 21.464 -17.858 -2.976 1.00 42.40 H new ATOM 0 HG3 LYS A 87 20.984 -18.248 -1.336 1.00 42.40 H new ATOM 0 HD2 LYS A 87 19.595 -16.194 -1.215 1.00 35.33 H new ATOM 0 HD3 LYS A 87 20.134 -15.705 -2.809 1.00 35.33 H new ATOM 0 HE2 LYS A 87 17.873 -16.722 -2.901 1.00 14.24 H new ATOM 0 HE3 LYS A 87 19.024 -17.652 -3.839 1.00 14.24 H new ATOM 0 HZ1 LYS A 87 17.565 -19.044 -2.486 1.00 62.15 H new ATOM 0 HZ2 LYS A 87 19.195 -19.248 -2.056 1.00 62.15 H new ATOM 0 HZ3 LYS A 87 18.167 -18.324 -1.070 1.00 62.15 H new ATOM 1360 N GLY A 88 23.663 -13.609 -1.068 1.00 14.32 N ATOM 1361 CA GLY A 88 24.645 -12.727 -0.434 1.00 55.12 C ATOM 1362 C GLY A 88 23.995 -11.685 0.471 1.00 43.24 C ATOM 1363 O GLY A 88 22.855 -11.886 0.918 1.00 42.33 O ATOM 0 H GLY A 88 22.695 -13.338 -0.893 1.00 14.32 H new ATOM 0 HA2 GLY A 88 25.343 -13.326 0.150 1.00 55.12 H new ATOM 0 HA3 GLY A 88 25.226 -12.222 -1.205 1.00 55.12 H new ATOM 1367 N LYS A 89 24.710 -10.552 0.686 1.00 73.34 N ATOM 1368 CA LYS A 89 24.347 -9.494 1.656 1.00 43.43 C ATOM 1369 C LYS A 89 24.213 -10.088 3.065 1.00 20.14 C ATOM 1370 O LYS A 89 23.161 -10.618 3.430 1.00 31.24 O ATOM 1371 CB LYS A 89 23.058 -8.699 1.257 1.00 72.11 C ATOM 1372 CG LYS A 89 23.182 -7.786 0.002 1.00 43.31 C ATOM 1373 CD LYS A 89 23.181 -8.565 -1.337 1.00 53.13 C ATOM 1374 CE LYS A 89 21.890 -9.380 -1.543 1.00 4.14 C ATOM 1375 NZ LYS A 89 21.880 -10.067 -2.862 1.00 30.12 N ATOM 0 H LYS A 89 25.571 -10.347 0.179 1.00 73.34 H new ATOM 0 HA LYS A 89 25.160 -8.768 1.646 1.00 43.43 H new ATOM 0 HB2 LYS A 89 22.253 -9.413 1.084 1.00 72.11 H new ATOM 0 HB3 LYS A 89 22.759 -8.081 2.104 1.00 72.11 H new ATOM 0 HG2 LYS A 89 22.357 -7.074 -0.001 1.00 43.31 H new ATOM 0 HG3 LYS A 89 24.102 -7.207 0.075 1.00 43.31 H new ATOM 0 HD2 LYS A 89 23.300 -7.863 -2.162 1.00 53.13 H new ATOM 0 HD3 LYS A 89 24.039 -9.236 -1.364 1.00 53.13 H new ATOM 0 HE2 LYS A 89 21.794 -10.118 -0.747 1.00 4.14 H new ATOM 0 HE3 LYS A 89 21.026 -8.719 -1.470 1.00 4.14 H new ATOM 0 HZ1 LYS A 89 20.997 -10.606 -2.966 1.00 30.12 H new ATOM 0 HZ2 LYS A 89 21.946 -9.360 -3.622 1.00 30.12 H new ATOM 0 HZ3 LYS A 89 22.690 -10.716 -2.921 1.00 30.12 H new ATOM 1389 N ILE A 90 25.314 -10.036 3.831 1.00 15.12 N ATOM 1390 CA ILE A 90 25.359 -10.522 5.217 1.00 35.45 C ATOM 1391 C ILE A 90 24.656 -9.516 6.169 1.00 30.24 C ATOM 1392 O ILE A 90 25.277 -8.865 7.012 1.00 21.41 O ATOM 1393 CB ILE A 90 26.849 -10.844 5.656 1.00 4.23 C ATOM 1394 CG1 ILE A 90 27.796 -9.630 5.352 1.00 55.31 C ATOM 1395 CG2 ILE A 90 27.363 -12.143 4.971 1.00 51.04 C ATOM 1396 CD1 ILE A 90 29.258 -9.841 5.725 1.00 60.12 C ATOM 0 H ILE A 90 26.201 -9.654 3.504 1.00 15.12 H new ATOM 0 HA ILE A 90 24.807 -11.460 5.282 1.00 35.45 H new ATOM 0 HB ILE A 90 26.855 -11.012 6.733 1.00 4.23 H new ATOM 0 HG12 ILE A 90 27.738 -9.402 4.288 1.00 55.31 H new ATOM 0 HG13 ILE A 90 27.423 -8.756 5.886 1.00 55.31 H new ATOM 0 HG21 ILE A 90 28.387 -12.341 5.289 1.00 51.04 H new ATOM 0 HG22 ILE A 90 26.726 -12.981 5.255 1.00 51.04 H new ATOM 0 HG23 ILE A 90 27.337 -12.018 3.888 1.00 51.04 H new ATOM 0 HD11 ILE A 90 29.830 -8.947 5.476 1.00 60.12 H new ATOM 0 HD12 ILE A 90 29.336 -10.036 6.795 1.00 60.12 H new ATOM 0 HD13 ILE A 90 29.656 -10.692 5.171 1.00 60.12 H new ATOM 1408 N PHE A 91 23.337 -9.397 5.986 1.00 54.12 N ATOM 1409 CA PHE A 91 22.462 -8.521 6.766 1.00 2.32 C ATOM 1410 C PHE A 91 21.545 -9.392 7.622 1.00 23.43 C ATOM 1411 O PHE A 91 21.097 -10.460 7.174 1.00 52.44 O ATOM 1412 CB PHE A 91 21.623 -7.636 5.810 1.00 2.55 C ATOM 1413 CG PHE A 91 20.744 -6.605 6.530 1.00 13.51 C ATOM 1414 CD1 PHE A 91 21.313 -5.465 7.106 1.00 51.54 C ATOM 1415 CD2 PHE A 91 19.356 -6.771 6.648 1.00 41.11 C ATOM 1416 CE1 PHE A 91 20.533 -4.533 7.768 1.00 3.42 C ATOM 1417 CE2 PHE A 91 18.582 -5.833 7.310 1.00 42.43 C ATOM 1418 CZ PHE A 91 19.170 -4.714 7.870 1.00 2.11 C ATOM 0 H PHE A 91 22.836 -9.923 5.270 1.00 54.12 H new ATOM 0 HA PHE A 91 23.055 -7.870 7.408 1.00 2.32 H new ATOM 0 HB2 PHE A 91 22.296 -7.114 5.130 1.00 2.55 H new ATOM 0 HB3 PHE A 91 20.988 -8.278 5.200 1.00 2.55 H new ATOM 0 HD1 PHE A 91 22.379 -5.309 7.033 1.00 51.54 H new ATOM 0 HD2 PHE A 91 18.885 -7.642 6.217 1.00 41.11 H new ATOM 0 HE1 PHE A 91 20.994 -3.660 8.207 1.00 3.42 H new ATOM 0 HE2 PHE A 91 17.514 -5.976 7.389 1.00 42.43 H new ATOM 0 HZ PHE A 91 18.564 -3.984 8.386 1.00 2.11 H new ATOM 1428 N GLN A 92 21.259 -8.925 8.838 1.00 11.12 N ATOM 1429 CA GLN A 92 20.386 -9.626 9.791 1.00 44.21 C ATOM 1430 C GLN A 92 19.889 -8.635 10.856 1.00 21.31 C ATOM 1431 O GLN A 92 20.536 -7.608 11.112 1.00 3.50 O ATOM 1432 CB GLN A 92 21.139 -10.831 10.430 1.00 72.12 C ATOM 1433 CG GLN A 92 22.415 -10.469 11.221 1.00 44.33 C ATOM 1434 CD GLN A 92 23.224 -11.702 11.655 1.00 52.12 C ATOM 1435 OE1 GLN A 92 23.248 -12.725 10.974 1.00 13.03 O ATOM 1436 NE2 GLN A 92 23.900 -11.625 12.783 1.00 72.32 N ATOM 0 H GLN A 92 21.627 -8.044 9.195 1.00 11.12 H new ATOM 0 HA GLN A 92 19.518 -10.027 9.267 1.00 44.21 H new ATOM 0 HB2 GLN A 92 20.454 -11.353 11.098 1.00 72.12 H new ATOM 0 HB3 GLN A 92 21.408 -11.531 9.639 1.00 72.12 H new ATOM 0 HG2 GLN A 92 23.046 -9.825 10.608 1.00 44.33 H new ATOM 0 HG3 GLN A 92 22.137 -9.894 12.105 1.00 44.33 H new ATOM 0 HE21 GLN A 92 23.871 -10.770 13.338 1.00 72.32 H new ATOM 0 HE22 GLN A 92 24.453 -12.421 13.102 1.00 72.32 H new ATOM 1445 N LYS A 93 18.729 -8.950 11.459 1.00 0.12 N ATOM 1446 CA LYS A 93 18.101 -8.115 12.484 1.00 71.14 C ATOM 1447 C LYS A 93 18.868 -8.258 13.817 1.00 54.15 C ATOM 1448 O LYS A 93 18.699 -9.240 14.549 1.00 24.43 O ATOM 1449 CB LYS A 93 16.604 -8.487 12.650 1.00 33.34 C ATOM 1450 CG LYS A 93 15.820 -7.568 13.612 1.00 62.14 C ATOM 1451 CD LYS A 93 14.354 -8.024 13.791 1.00 61.31 C ATOM 1452 CE LYS A 93 13.503 -7.882 12.511 1.00 50.24 C ATOM 1453 NZ LYS A 93 12.124 -8.431 12.696 1.00 63.23 N ATOM 0 H LYS A 93 18.202 -9.797 11.244 1.00 0.12 H new ATOM 0 HA LYS A 93 18.146 -7.072 12.172 1.00 71.14 H new ATOM 0 HB2 LYS A 93 16.125 -8.461 11.671 1.00 33.34 H new ATOM 0 HB3 LYS A 93 16.535 -9.513 13.011 1.00 33.34 H new ATOM 0 HG2 LYS A 93 16.315 -7.554 14.583 1.00 62.14 H new ATOM 0 HG3 LYS A 93 15.837 -6.547 13.231 1.00 62.14 H new ATOM 0 HD2 LYS A 93 14.343 -9.066 14.111 1.00 61.31 H new ATOM 0 HD3 LYS A 93 13.895 -7.440 14.589 1.00 61.31 H new ATOM 0 HE2 LYS A 93 13.441 -6.830 12.231 1.00 50.24 H new ATOM 0 HE3 LYS A 93 13.994 -8.402 11.689 1.00 50.24 H new ATOM 0 HZ1 LYS A 93 11.584 -8.317 11.815 1.00 63.23 H new ATOM 0 HZ2 LYS A 93 12.182 -9.441 12.939 1.00 63.23 H new ATOM 0 HZ3 LYS A 93 11.646 -7.917 13.464 1.00 63.23 H new ATOM 1467 N GLU A 94 19.776 -7.302 14.052 1.00 41.05 N ATOM 1468 CA GLU A 94 20.570 -7.194 15.297 1.00 44.13 C ATOM 1469 C GLU A 94 19.708 -6.519 16.375 1.00 30.13 C ATOM 1470 O GLU A 94 19.464 -5.304 16.312 1.00 61.24 O ATOM 1471 CB GLU A 94 21.866 -6.369 15.032 1.00 31.44 C ATOM 1472 CG GLU A 94 22.720 -6.897 13.863 1.00 72.25 C ATOM 1473 CD GLU A 94 23.877 -5.959 13.492 1.00 22.14 C ATOM 1474 OE1 GLU A 94 23.607 -4.875 12.935 1.00 42.34 O ATOM 1475 OE2 GLU A 94 25.057 -6.292 13.740 1.00 61.33 O ATOM 0 H GLU A 94 19.988 -6.568 13.376 1.00 41.05 H new ATOM 0 HA GLU A 94 20.865 -8.186 15.640 1.00 44.13 H new ATOM 0 HB2 GLU A 94 21.590 -5.334 14.828 1.00 31.44 H new ATOM 0 HB3 GLU A 94 22.472 -6.364 15.938 1.00 31.44 H new ATOM 0 HG2 GLU A 94 23.123 -7.875 14.128 1.00 72.25 H new ATOM 0 HG3 GLU A 94 22.082 -7.041 12.991 1.00 72.25 H new ATOM 1482 N GLY A 95 19.222 -7.321 17.341 1.00 54.23 N ATOM 1483 CA GLY A 95 18.300 -6.830 18.366 1.00 74.22 C ATOM 1484 C GLY A 95 18.927 -5.795 19.290 1.00 61.52 C ATOM 1485 O GLY A 95 18.288 -4.805 19.665 1.00 1.02 O ATOM 0 H GLY A 95 19.456 -8.310 17.428 1.00 54.23 H new ATOM 0 HA2 GLY A 95 17.427 -6.393 17.881 1.00 74.22 H new ATOM 0 HA3 GLY A 95 17.946 -7.672 18.961 1.00 74.22 H new ATOM 1489 N GLU A 96 20.211 -6.013 19.626 1.00 3.01 N ATOM 1490 CA GLU A 96 20.949 -5.211 20.609 1.00 25.23 C ATOM 1491 C GLU A 96 22.393 -4.994 20.117 1.00 73.41 C ATOM 1492 O GLU A 96 23.326 -5.673 20.559 1.00 3.30 O ATOM 1493 CB GLU A 96 20.937 -5.917 22.008 1.00 11.12 C ATOM 1494 CG GLU A 96 19.543 -6.051 22.655 1.00 73.51 C ATOM 1495 CD GLU A 96 19.534 -6.873 23.952 1.00 34.31 C ATOM 1496 OE1 GLU A 96 19.953 -6.346 25.010 1.00 55.13 O ATOM 1497 OE2 GLU A 96 19.090 -8.047 23.926 1.00 14.21 O ATOM 0 H GLU A 96 20.769 -6.761 19.215 1.00 3.01 H new ATOM 0 HA GLU A 96 20.465 -4.240 20.718 1.00 25.23 H new ATOM 0 HB2 GLU A 96 21.369 -6.912 21.901 1.00 11.12 H new ATOM 0 HB3 GLU A 96 21.584 -5.360 22.686 1.00 11.12 H new ATOM 0 HG2 GLU A 96 19.154 -5.055 22.865 1.00 73.51 H new ATOM 0 HG3 GLU A 96 18.864 -6.514 21.939 1.00 73.51 H new ATOM 1504 N SER A 97 22.547 -4.130 19.115 1.00 31.50 N ATOM 1505 CA SER A 97 23.853 -3.616 18.703 1.00 73.15 C ATOM 1506 C SER A 97 24.090 -2.299 19.465 1.00 61.15 C ATOM 1507 O SER A 97 23.492 -1.270 19.130 1.00 43.24 O ATOM 1508 CB SER A 97 23.880 -3.433 17.164 1.00 74.04 C ATOM 1509 OG SER A 97 22.775 -2.672 16.717 1.00 4.32 O ATOM 0 H SER A 97 21.769 -3.766 18.565 1.00 31.50 H new ATOM 0 HA SER A 97 24.658 -4.310 18.944 1.00 73.15 H new ATOM 0 HB2 SER A 97 24.807 -2.939 16.871 1.00 74.04 H new ATOM 0 HB3 SER A 97 23.872 -4.409 16.679 1.00 74.04 H new ATOM 0 HG SER A 97 22.608 -1.938 17.345 1.00 4.32 H new ATOM 1515 N ILE A 98 24.899 -2.379 20.548 1.00 13.33 N ATOM 1516 CA ILE A 98 25.111 -1.267 21.493 1.00 62.05 C ATOM 1517 C ILE A 98 25.655 -0.009 20.771 1.00 20.11 C ATOM 1518 O ILE A 98 26.804 0.027 20.315 1.00 21.45 O ATOM 1519 CB ILE A 98 26.040 -1.689 22.710 1.00 60.51 C ATOM 1520 CG1 ILE A 98 26.190 -0.515 23.730 1.00 22.44 C ATOM 1521 CG2 ILE A 98 27.423 -2.224 22.258 1.00 4.41 C ATOM 1522 CD1 ILE A 98 27.051 -0.819 24.951 1.00 61.34 C ATOM 0 H ILE A 98 25.423 -3.221 20.788 1.00 13.33 H new ATOM 0 HA ILE A 98 24.137 -1.012 21.912 1.00 62.05 H new ATOM 0 HB ILE A 98 25.542 -2.519 23.210 1.00 60.51 H new ATOM 0 HG12 ILE A 98 26.615 0.344 23.211 1.00 22.44 H new ATOM 0 HG13 ILE A 98 25.197 -0.222 24.070 1.00 22.44 H new ATOM 0 HG21 ILE A 98 28.012 -2.496 23.134 1.00 4.41 H new ATOM 0 HG22 ILE A 98 27.285 -3.102 21.627 1.00 4.41 H new ATOM 0 HG23 ILE A 98 27.946 -1.451 21.695 1.00 4.41 H new ATOM 0 HD11 ILE A 98 27.091 0.059 25.595 1.00 61.34 H new ATOM 0 HD12 ILE A 98 26.619 -1.654 25.502 1.00 61.34 H new ATOM 0 HD13 ILE A 98 28.059 -1.080 24.629 1.00 61.34 H new ATOM 1534 N LEU A 99 24.774 0.999 20.618 1.00 62.43 N ATOM 1535 CA LEU A 99 25.121 2.289 20.015 1.00 22.22 C ATOM 1536 C LEU A 99 25.993 3.079 21.007 1.00 32.30 C ATOM 1537 O LEU A 99 25.492 3.832 21.856 1.00 10.23 O ATOM 1538 CB LEU A 99 23.828 3.064 19.638 1.00 44.21 C ATOM 1539 CG LEU A 99 24.022 4.440 18.920 1.00 3.11 C ATOM 1540 CD1 LEU A 99 24.780 4.291 17.585 1.00 74.53 C ATOM 1541 CD2 LEU A 99 22.667 5.150 18.719 1.00 3.45 C ATOM 0 H LEU A 99 23.799 0.935 20.912 1.00 62.43 H new ATOM 0 HA LEU A 99 25.688 2.140 19.096 1.00 22.22 H new ATOM 0 HB2 LEU A 99 23.223 2.426 18.994 1.00 44.21 H new ATOM 0 HB3 LEU A 99 23.254 3.233 20.549 1.00 44.21 H new ATOM 0 HG LEU A 99 24.639 5.063 19.568 1.00 3.11 H new ATOM 0 HD11 LEU A 99 24.893 5.270 17.120 1.00 74.53 H new ATOM 0 HD12 LEU A 99 25.765 3.862 17.772 1.00 74.53 H new ATOM 0 HD13 LEU A 99 24.219 3.635 16.919 1.00 74.53 H new ATOM 0 HD21 LEU A 99 22.827 6.105 18.218 1.00 3.45 H new ATOM 0 HD22 LEU A 99 22.016 4.525 18.109 1.00 3.45 H new ATOM 0 HD23 LEU A 99 22.200 5.323 19.688 1.00 3.45 H new ATOM 1553 N GLU A 100 27.303 2.821 20.926 1.00 65.21 N ATOM 1554 CA GLU A 100 28.316 3.412 21.805 1.00 75.31 C ATOM 1555 C GLU A 100 29.667 3.314 21.056 1.00 32.13 C ATOM 1556 O GLU A 100 30.079 4.303 20.410 1.00 3.41 O ATOM 1557 CB GLU A 100 28.331 2.665 23.185 1.00 2.14 C ATOM 1558 CG GLU A 100 29.036 3.400 24.361 1.00 21.55 C ATOM 1559 CD GLU A 100 30.568 3.560 24.232 1.00 51.40 C ATOM 1560 OE1 GLU A 100 31.306 2.574 24.487 1.00 61.02 O ATOM 1561 OE2 GLU A 100 31.045 4.663 23.874 1.00 43.22 O ATOM 1562 OXT GLU A 100 30.286 2.228 21.067 1.00 37.35 O ATOM 0 H GLU A 100 27.696 2.183 20.234 1.00 65.21 H new ATOM 0 HA GLU A 100 28.104 4.457 22.031 1.00 75.31 H new ATOM 0 HB2 GLU A 100 27.300 2.464 23.476 1.00 2.14 H new ATOM 0 HB3 GLU A 100 28.816 1.699 23.046 1.00 2.14 H new ATOM 0 HG2 GLU A 100 28.593 4.391 24.463 1.00 21.55 H new ATOM 0 HG3 GLU A 100 28.822 2.859 25.283 1.00 21.55 H new TER 1569 GLU A 100