USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 914 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 60 SER OG : rot -20:sc= 0.305 USER MOD Set 1.2: A 77 GLN : amide:sc= 0.00485 K(o=0.31,f=-1.4!) USER MOD Set 2.1: A 43 ASN : amide:sc= -1.39! C(o=-1.4!,f=-3.9!) USER MOD Set 2.2: A 47 GLN : amide:sc= 0 X(o=-1.4,f=-1.4) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= -0.179 (180deg=-0.923) USER MOD Single : A 27 ASN : amide:sc= -0.204 K(o=-0.2,f=-0.93) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 43:sc= 1.14 USER MOD Single : A 37 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc=-0.00156 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 57 SER OG : rot 78:sc=0.000663 USER MOD Single : A 59 SER OG : rot 57:sc= 0.0612 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 71:sc= 0.798 USER MOD Single : A 65 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.074) USER MOD Single : A 66 THR OG1 : rot -18:sc= 2.09 USER MOD Single : A 72 SER OG : rot -79:sc= 1.46 USER MOD Single : A 75 GLN : amide:sc= -3.81 K(o=-3.8,f=-4.6!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -166:sc= 0 (180deg=-0.116) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 156:sc= 0.0308 USER MOD Single : A 85 GLN : amide:sc=-0.00114 X(o=-0.0011,f=-0.16) USER MOD Single : A 86 ASN : amide:sc= 0.0867 X(o=0.087,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -3.95! C(o=-3.9!,f=-6.6!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.076 31.447 -4.041 1.00 23.43 N ATOM 2 CA GLY A 1 -10.276 31.817 -2.886 1.00 64.42 C ATOM 3 C GLY A 1 -8.787 31.688 -3.146 1.00 52.45 C ATOM 4 O GLY A 1 -8.318 30.641 -3.591 1.00 24.00 O ATOM 0 H1 GLY A 1 -12.085 31.552 -3.812 1.00 23.43 H new ATOM 0 H2 GLY A 1 -10.836 32.065 -4.842 1.00 23.43 H new ATOM 0 H3 GLY A 1 -10.880 30.458 -4.297 1.00 23.43 H new ATOM 0 HA2 GLY A 1 -10.505 32.845 -2.604 1.00 64.42 H new ATOM 0 HA3 GLY A 1 -10.550 31.186 -2.041 1.00 64.42 H new ATOM 8 N SER A 2 -8.046 32.755 -2.868 1.00 1.22 N ATOM 9 CA SER A 2 -6.603 32.757 -3.080 1.00 51.12 C ATOM 10 C SER A 2 -5.865 33.110 -1.791 1.00 44.03 C ATOM 11 O SER A 2 -4.675 32.833 -1.649 1.00 62.31 O ATOM 12 CB SER A 2 -6.230 33.751 -4.183 1.00 73.31 C ATOM 13 OG SER A 2 -6.178 35.075 -3.680 1.00 62.04 O ATOM 0 H SER A 2 -8.420 33.628 -2.496 1.00 1.22 H new ATOM 0 HA SER A 2 -6.304 31.755 -3.387 1.00 51.12 H new ATOM 0 HB2 SER A 2 -5.263 33.482 -4.608 1.00 73.31 H new ATOM 0 HB3 SER A 2 -6.960 33.694 -4.991 1.00 73.31 H new ATOM 0 HG SER A 2 -5.936 35.690 -4.403 1.00 62.04 H new ATOM 19 N SER A 3 -6.584 33.724 -0.856 1.00 23.33 N ATOM 20 CA SER A 3 -5.997 34.119 0.419 1.00 53.13 C ATOM 21 C SER A 3 -6.922 33.755 1.578 1.00 1.45 C ATOM 22 O SER A 3 -8.031 34.278 1.689 1.00 54.12 O ATOM 23 CB SER A 3 -5.714 35.623 0.431 1.00 73.33 C ATOM 24 OG SER A 3 -6.243 36.250 -0.725 1.00 35.01 O ATOM 0 H SER A 3 -7.572 33.958 -0.957 1.00 23.33 H new ATOM 0 HA SER A 3 -5.058 33.579 0.542 1.00 53.13 H new ATOM 0 HB2 SER A 3 -6.150 36.071 1.324 1.00 73.33 H new ATOM 0 HB3 SER A 3 -4.639 35.794 0.481 1.00 73.33 H new ATOM 0 HG SER A 3 -6.051 37.210 -0.693 1.00 35.01 H new ATOM 30 N GLY A 4 -6.457 32.855 2.439 1.00 2.40 N ATOM 31 CA GLY A 4 -7.254 32.437 3.577 1.00 60.44 C ATOM 32 C GLY A 4 -6.404 31.940 4.729 1.00 63.22 C ATOM 33 O GLY A 4 -6.670 32.258 5.887 1.00 33.44 O ATOM 0 H GLY A 4 -5.543 32.408 2.369 1.00 2.40 H new ATOM 0 HA2 GLY A 4 -7.865 33.274 3.915 1.00 60.44 H new ATOM 0 HA3 GLY A 4 -7.938 31.647 3.267 1.00 60.44 H new ATOM 37 N SER A 5 -5.379 31.157 4.411 1.00 23.54 N ATOM 38 CA SER A 5 -4.488 30.611 5.429 1.00 61.11 C ATOM 39 C SER A 5 -3.053 31.076 5.203 1.00 41.52 C ATOM 40 O SER A 5 -2.497 31.824 6.007 1.00 62.52 O ATOM 41 CB SER A 5 -4.548 29.082 5.422 1.00 22.10 C ATOM 42 OG SER A 5 -4.064 28.547 6.642 1.00 43.21 O ATOM 0 H SER A 5 -5.144 30.886 3.456 1.00 23.54 H new ATOM 0 HA SER A 5 -4.820 30.977 6.401 1.00 61.11 H new ATOM 0 HB2 SER A 5 -5.576 28.756 5.261 1.00 22.10 H new ATOM 0 HB3 SER A 5 -3.957 28.696 4.592 1.00 22.10 H new ATOM 0 HG SER A 5 -4.114 27.569 6.613 1.00 43.21 H new ATOM 48 N SER A 6 -2.458 30.627 4.101 1.00 12.31 N ATOM 49 CA SER A 6 -1.087 30.995 3.770 1.00 71.45 C ATOM 50 C SER A 6 -0.623 30.276 2.506 1.00 73.22 C ATOM 51 O SER A 6 -0.053 30.887 1.605 1.00 40.41 O ATOM 52 CB SER A 6 -0.152 30.658 4.933 1.00 42.11 C ATOM 53 OG SER A 6 1.182 30.491 4.484 1.00 23.41 O ATOM 0 H SER A 6 -2.904 30.009 3.424 1.00 12.31 H new ATOM 0 HA SER A 6 -1.058 32.069 3.589 1.00 71.45 H new ATOM 0 HB2 SER A 6 -0.191 31.453 5.677 1.00 42.11 H new ATOM 0 HB3 SER A 6 -0.491 29.745 5.423 1.00 42.11 H new ATOM 0 HG SER A 6 1.760 30.278 5.247 1.00 23.41 H new ATOM 59 N GLY A 7 -0.873 28.971 2.449 1.00 55.13 N ATOM 60 CA GLY A 7 -0.475 28.189 1.293 1.00 54.21 C ATOM 61 C GLY A 7 0.026 26.809 1.670 1.00 5.34 C ATOM 62 O GLY A 7 0.387 26.567 2.821 1.00 13.12 O ATOM 0 H GLY A 7 -1.344 28.442 3.183 1.00 55.13 H new ATOM 0 HA2 GLY A 7 -1.323 28.091 0.615 1.00 54.21 H new ATOM 0 HA3 GLY A 7 0.307 28.720 0.751 1.00 54.21 H new ATOM 66 N GLU A 8 0.044 25.902 0.698 1.00 32.52 N ATOM 67 CA GLU A 8 0.502 24.538 0.936 1.00 12.22 C ATOM 68 C GLU A 8 1.142 23.952 -0.320 1.00 14.51 C ATOM 69 O GLU A 8 0.747 24.252 -1.445 1.00 53.21 O ATOM 70 CB GLU A 8 -0.665 23.657 1.387 1.00 31.21 C ATOM 71 CG GLU A 8 -0.637 23.319 2.868 1.00 53.23 C ATOM 72 CD GLU A 8 -1.503 24.250 3.695 1.00 54.14 C ATOM 73 OE1 GLU A 8 -1.009 24.765 4.720 1.00 74.52 O ATOM 74 OE2 GLU A 8 -2.674 24.464 3.317 1.00 70.23 O ATOM 0 H GLU A 8 -0.253 26.087 -0.260 1.00 32.52 H new ATOM 0 HA GLU A 8 1.253 24.566 1.726 1.00 12.22 H new ATOM 0 HB2 GLU A 8 -1.602 24.164 1.157 1.00 31.21 H new ATOM 0 HB3 GLU A 8 -0.654 22.731 0.812 1.00 31.21 H new ATOM 0 HG2 GLU A 8 -0.976 22.293 3.009 1.00 53.23 H new ATOM 0 HG3 GLU A 8 0.390 23.368 3.229 1.00 53.23 H new ATOM 82 N PRO A 9 2.155 23.096 -0.121 1.00 32.41 N ATOM 83 CA PRO A 9 2.872 22.449 -1.224 1.00 1.35 C ATOM 84 C PRO A 9 2.014 21.418 -1.948 1.00 42.43 C ATOM 85 O PRO A 9 1.292 20.645 -1.318 1.00 62.45 O ATOM 86 CB PRO A 9 4.052 21.768 -0.529 1.00 22.05 C ATOM 87 CG PRO A 9 3.590 21.542 0.870 1.00 25.24 C ATOM 88 CD PRO A 9 2.678 22.693 1.195 1.00 22.44 C ATOM 0 HA PRO A 9 3.167 23.164 -1.993 1.00 1.35 H new ATOM 0 HB2 PRO A 9 4.310 20.828 -1.017 1.00 22.05 H new ATOM 0 HB3 PRO A 9 4.943 22.396 -0.555 1.00 22.05 H new ATOM 0 HG2 PRO A 9 3.065 20.591 0.959 1.00 25.24 H new ATOM 0 HG3 PRO A 9 4.434 21.506 1.559 1.00 25.24 H new ATOM 0 HD2 PRO A 9 1.877 22.393 1.871 1.00 22.44 H new ATOM 0 HD3 PRO A 9 3.216 23.507 1.680 1.00 22.44 H new ATOM 96 N ALA A 10 2.096 21.412 -3.275 1.00 34.24 N ATOM 97 CA ALA A 10 1.329 20.474 -4.084 1.00 72.15 C ATOM 98 C ALA A 10 1.669 19.031 -3.724 1.00 42.21 C ATOM 99 O ALA A 10 0.948 18.105 -4.090 1.00 21.10 O ATOM 100 CB ALA A 10 1.580 20.724 -5.564 1.00 32.51 C ATOM 0 H ALA A 10 2.687 22.047 -3.812 1.00 34.24 H new ATOM 0 HA ALA A 10 0.271 20.633 -3.874 1.00 72.15 H new ATOM 0 HB1 ALA A 10 1.000 20.016 -6.156 1.00 32.51 H new ATOM 0 HB2 ALA A 10 1.279 21.741 -5.817 1.00 32.51 H new ATOM 0 HB3 ALA A 10 2.641 20.595 -5.780 1.00 32.51 H new ATOM 106 N GLU A 11 2.773 18.851 -3.006 1.00 42.20 N ATOM 107 CA GLU A 11 3.209 17.521 -2.598 1.00 45.34 C ATOM 108 C GLU A 11 2.322 16.975 -1.482 1.00 64.50 C ATOM 109 O GLU A 11 1.655 15.953 -1.649 1.00 43.10 O ATOM 110 CB GLU A 11 4.667 17.556 -2.135 1.00 31.15 C ATOM 111 CG GLU A 11 5.659 17.772 -3.264 1.00 60.44 C ATOM 112 CD GLU A 11 6.629 18.903 -2.980 1.00 23.50 C ATOM 113 OE1 GLU A 11 7.853 18.652 -2.991 1.00 51.24 O ATOM 114 OE2 GLU A 11 6.165 20.039 -2.747 1.00 23.41 O ATOM 0 H GLU A 11 3.381 19.609 -2.695 1.00 42.20 H new ATOM 0 HA GLU A 11 3.126 16.860 -3.461 1.00 45.34 H new ATOM 0 HB2 GLU A 11 4.787 18.352 -1.400 1.00 31.15 H new ATOM 0 HB3 GLU A 11 4.902 16.619 -1.631 1.00 31.15 H new ATOM 0 HG2 GLU A 11 6.219 16.852 -3.432 1.00 60.44 H new ATOM 0 HG3 GLU A 11 5.116 17.987 -4.184 1.00 60.44 H new ATOM 122 N ILE A 12 2.322 17.663 -0.346 1.00 44.13 N ATOM 123 CA ILE A 12 1.518 17.249 0.797 1.00 54.43 C ATOM 124 C ILE A 12 0.100 16.883 0.369 1.00 43.20 C ATOM 125 O ILE A 12 -0.352 15.757 0.574 1.00 44.13 O ATOM 126 CB ILE A 12 1.448 18.354 1.867 1.00 22.30 C ATOM 127 CG1 ILE A 12 2.813 18.533 2.535 1.00 14.41 C ATOM 128 CG2 ILE A 12 0.384 18.023 2.902 1.00 14.03 C ATOM 129 CD1 ILE A 12 2.870 19.706 3.490 1.00 63.20 C ATOM 0 H ILE A 12 2.870 18.510 -0.192 1.00 44.13 H new ATOM 0 HA ILE A 12 2.005 16.372 1.223 1.00 54.43 H new ATOM 0 HB ILE A 12 1.175 19.292 1.383 1.00 22.30 H new ATOM 0 HG12 ILE A 12 3.066 17.621 3.077 1.00 14.41 H new ATOM 0 HG13 ILE A 12 3.571 18.666 1.763 1.00 14.41 H new ATOM 0 HG21 ILE A 12 0.347 18.814 3.651 1.00 14.03 H new ATOM 0 HG22 ILE A 12 -0.587 17.941 2.413 1.00 14.03 H new ATOM 0 HG23 ILE A 12 0.628 17.077 3.385 1.00 14.03 H new ATOM 0 HD11 ILE A 12 3.867 19.772 3.926 1.00 63.20 H new ATOM 0 HD12 ILE A 12 2.649 20.626 2.949 1.00 63.20 H new ATOM 0 HD13 ILE A 12 2.135 19.566 4.283 1.00 63.20 H new ATOM 141 N LYS A 13 -0.597 17.842 -0.232 1.00 71.33 N ATOM 142 CA LYS A 13 -1.962 17.622 -0.694 1.00 13.21 C ATOM 143 C LYS A 13 -2.134 16.203 -1.228 1.00 31.42 C ATOM 144 O LYS A 13 -3.094 15.513 -0.885 1.00 74.41 O ATOM 145 CB LYS A 13 -2.324 18.634 -1.782 1.00 2.31 C ATOM 146 CG LYS A 13 -3.543 19.477 -1.447 1.00 65.21 C ATOM 147 CD LYS A 13 -4.062 20.217 -2.669 1.00 70.04 C ATOM 148 CE LYS A 13 -5.292 21.048 -2.337 1.00 3.33 C ATOM 149 NZ LYS A 13 -4.944 22.472 -2.074 1.00 30.34 N ATOM 0 H LYS A 13 -0.238 18.780 -0.410 1.00 71.33 H new ATOM 0 HA LYS A 13 -2.632 17.756 0.155 1.00 13.21 H new ATOM 0 HB2 LYS A 13 -1.472 19.293 -1.952 1.00 2.31 H new ATOM 0 HB3 LYS A 13 -2.506 18.102 -2.716 1.00 2.31 H new ATOM 0 HG2 LYS A 13 -4.330 18.838 -1.046 1.00 65.21 H new ATOM 0 HG3 LYS A 13 -3.287 20.195 -0.667 1.00 65.21 H new ATOM 0 HD2 LYS A 13 -3.279 20.865 -3.063 1.00 70.04 H new ATOM 0 HD3 LYS A 13 -4.307 19.500 -3.453 1.00 70.04 H new ATOM 0 HE2 LYS A 13 -6.001 20.994 -3.163 1.00 3.33 H new ATOM 0 HE3 LYS A 13 -5.789 20.628 -1.463 1.00 3.33 H new ATOM 0 HZ1 LYS A 13 -5.809 23.005 -1.852 1.00 30.34 H new ATOM 0 HZ2 LYS A 13 -4.287 22.526 -1.269 1.00 30.34 H new ATOM 0 HZ3 LYS A 13 -4.493 22.881 -2.917 1.00 30.34 H new ATOM 163 N ILE A 14 -1.197 15.776 -2.067 1.00 52.14 N ATOM 164 CA ILE A 14 -1.244 14.438 -2.646 1.00 62.31 C ATOM 165 C ILE A 14 -1.006 13.371 -1.582 1.00 64.35 C ATOM 166 O ILE A 14 -1.655 12.324 -1.583 1.00 23.03 O ATOM 167 CB ILE A 14 -0.202 14.273 -3.766 1.00 73.45 C ATOM 168 CG1 ILE A 14 -0.457 15.285 -4.884 1.00 61.12 C ATOM 169 CG2 ILE A 14 -0.231 12.853 -4.312 1.00 42.21 C ATOM 170 CD1 ILE A 14 0.769 15.585 -5.720 1.00 51.51 C ATOM 0 H ILE A 14 -0.397 16.336 -2.361 1.00 52.14 H new ATOM 0 HA ILE A 14 -2.241 14.311 -3.068 1.00 62.31 H new ATOM 0 HB ILE A 14 0.788 14.461 -3.351 1.00 73.45 H new ATOM 0 HG12 ILE A 14 -1.246 14.905 -5.534 1.00 61.12 H new ATOM 0 HG13 ILE A 14 -0.824 16.213 -4.446 1.00 61.12 H new ATOM 0 HG21 ILE A 14 0.512 12.752 -5.103 1.00 42.21 H new ATOM 0 HG22 ILE A 14 -0.004 12.150 -3.510 1.00 42.21 H new ATOM 0 HG23 ILE A 14 -1.221 12.638 -4.714 1.00 42.21 H new ATOM 0 HD11 ILE A 14 0.514 16.310 -6.493 1.00 51.51 H new ATOM 0 HD12 ILE A 14 1.553 15.995 -5.083 1.00 51.51 H new ATOM 0 HD13 ILE A 14 1.124 14.667 -6.187 1.00 51.51 H new ATOM 182 N ILE A 15 -0.072 13.643 -0.677 1.00 64.21 N ATOM 183 CA ILE A 15 0.251 12.706 0.392 1.00 13.25 C ATOM 184 C ILE A 15 -0.950 12.480 1.304 1.00 31.43 C ATOM 185 O ILE A 15 -1.208 11.358 1.740 1.00 14.42 O ATOM 186 CB ILE A 15 1.436 13.206 1.239 1.00 3.04 C ATOM 187 CG1 ILE A 15 2.691 13.334 0.373 1.00 22.40 C ATOM 188 CG2 ILE A 15 1.685 12.264 2.407 1.00 24.14 C ATOM 189 CD1 ILE A 15 3.872 13.935 1.104 1.00 42.45 C ATOM 0 H ILE A 15 0.474 14.504 -0.663 1.00 64.21 H new ATOM 0 HA ILE A 15 0.526 11.765 -0.084 1.00 13.25 H new ATOM 0 HB ILE A 15 1.191 14.191 1.637 1.00 3.04 H new ATOM 0 HG12 ILE A 15 2.968 12.348 0.001 1.00 22.40 H new ATOM 0 HG13 ILE A 15 2.461 13.949 -0.497 1.00 22.40 H new ATOM 0 HG21 ILE A 15 2.525 12.630 2.997 1.00 24.14 H new ATOM 0 HG22 ILE A 15 0.794 12.218 3.034 1.00 24.14 H new ATOM 0 HG23 ILE A 15 1.914 11.268 2.029 1.00 24.14 H new ATOM 0 HD11 ILE A 15 4.726 13.995 0.429 1.00 42.45 H new ATOM 0 HD12 ILE A 15 3.614 14.935 1.452 1.00 42.45 H new ATOM 0 HD13 ILE A 15 4.129 13.308 1.958 1.00 42.45 H new ATOM 201 N ARG A 16 -1.683 13.553 1.586 1.00 74.43 N ATOM 202 CA ARG A 16 -2.858 13.469 2.446 1.00 45.41 C ATOM 203 C ARG A 16 -3.841 12.426 1.924 1.00 43.24 C ATOM 204 O ARG A 16 -4.164 11.462 2.619 1.00 24.45 O ATOM 205 CB ARG A 16 -3.547 14.834 2.535 1.00 31.53 C ATOM 206 CG ARG A 16 -2.617 15.958 2.962 1.00 24.40 C ATOM 207 CD ARG A 16 -3.028 16.543 4.304 1.00 42.31 C ATOM 208 NE ARG A 16 -3.909 17.697 4.150 1.00 14.02 N ATOM 209 CZ ARG A 16 -4.715 18.138 5.110 1.00 21.01 C ATOM 210 NH1 ARG A 16 -4.750 17.527 6.286 1.00 62.41 N ATOM 211 NH2 ARG A 16 -5.489 19.196 4.895 1.00 31.53 N ATOM 0 H ARG A 16 -1.484 14.489 1.232 1.00 74.43 H new ATOM 0 HA ARG A 16 -2.529 13.167 3.441 1.00 45.41 H new ATOM 0 HB2 ARG A 16 -3.977 15.079 1.564 1.00 31.53 H new ATOM 0 HB3 ARG A 16 -4.374 14.769 3.242 1.00 31.53 H new ATOM 0 HG2 ARG A 16 -1.596 15.582 3.025 1.00 24.40 H new ATOM 0 HG3 ARG A 16 -2.622 16.743 2.205 1.00 24.40 H new ATOM 0 HD2 ARG A 16 -3.532 15.778 4.894 1.00 42.31 H new ATOM 0 HD3 ARG A 16 -2.138 16.838 4.859 1.00 42.31 H new ATOM 0 HE ARG A 16 -3.906 18.191 3.258 1.00 14.02 H new ATOM 0 HH11 ARG A 16 -4.157 16.715 6.457 1.00 62.41 H new ATOM 0 HH12 ARG A 16 -5.370 17.869 7.020 1.00 62.41 H new ATOM 0 HH21 ARG A 16 -5.465 19.671 3.992 1.00 31.53 H new ATOM 0 HH22 ARG A 16 -6.107 19.534 5.632 1.00 31.53 H new ATOM 225 N GLU A 17 -4.313 12.625 0.697 1.00 32.00 N ATOM 226 CA GLU A 17 -5.261 11.701 0.086 1.00 40.05 C ATOM 227 C GLU A 17 -4.659 10.304 -0.031 1.00 72.22 C ATOM 228 O GLU A 17 -5.353 9.302 0.142 1.00 22.41 O ATOM 229 CB GLU A 17 -5.678 12.205 -1.298 1.00 3.04 C ATOM 230 CG GLU A 17 -7.125 11.903 -1.646 1.00 11.33 C ATOM 231 CD GLU A 17 -7.362 11.830 -3.142 1.00 54.30 C ATOM 232 OE1 GLU A 17 -8.144 12.657 -3.658 1.00 21.50 O ATOM 233 OE2 GLU A 17 -6.770 10.947 -3.795 1.00 75.41 O ATOM 0 H GLU A 17 -4.055 13.416 0.108 1.00 32.00 H new ATOM 0 HA GLU A 17 -6.141 11.647 0.726 1.00 40.05 H new ATOM 0 HB2 GLU A 17 -5.519 13.282 -1.346 1.00 3.04 H new ATOM 0 HB3 GLU A 17 -5.031 11.754 -2.050 1.00 3.04 H new ATOM 0 HG2 GLU A 17 -7.415 10.957 -1.189 1.00 11.33 H new ATOM 0 HG3 GLU A 17 -7.766 12.673 -1.217 1.00 11.33 H new ATOM 241 N ALA A 18 -3.366 10.246 -0.326 1.00 21.52 N ATOM 242 CA ALA A 18 -2.670 8.971 -0.463 1.00 3.21 C ATOM 243 C ALA A 18 -2.555 8.260 0.880 1.00 53.53 C ATOM 244 O ALA A 18 -2.384 7.042 0.937 1.00 44.05 O ATOM 245 CB ALA A 18 -1.291 9.187 -1.068 1.00 23.31 C ATOM 0 H ALA A 18 -2.778 11.066 -0.475 1.00 21.52 H new ATOM 0 HA ALA A 18 -3.253 8.336 -1.130 1.00 3.21 H new ATOM 0 HB1 ALA A 18 -0.782 8.228 -1.165 1.00 23.31 H new ATOM 0 HB2 ALA A 18 -1.393 9.645 -2.052 1.00 23.31 H new ATOM 0 HB3 ALA A 18 -0.709 9.843 -0.421 1.00 23.31 H new ATOM 251 N TYR A 19 -2.650 9.029 1.961 1.00 70.54 N ATOM 252 CA TYR A 19 -2.554 8.471 3.305 1.00 22.22 C ATOM 253 C TYR A 19 -3.929 8.073 3.829 1.00 15.31 C ATOM 254 O TYR A 19 -4.079 7.059 4.511 1.00 30.31 O ATOM 255 CB TYR A 19 -1.908 9.482 4.253 1.00 0.03 C ATOM 256 CG TYR A 19 -2.015 9.098 5.712 1.00 10.44 C ATOM 257 CD1 TYR A 19 -1.246 8.070 6.239 1.00 23.05 C ATOM 258 CD2 TYR A 19 -2.887 9.767 6.563 1.00 41.25 C ATOM 259 CE1 TYR A 19 -1.342 7.716 7.571 1.00 42.32 C ATOM 260 CE2 TYR A 19 -2.989 9.421 7.897 1.00 24.34 C ATOM 261 CZ TYR A 19 -2.214 8.394 8.396 1.00 3.42 C ATOM 262 OH TYR A 19 -2.313 8.046 9.724 1.00 32.22 O ATOM 0 H TYR A 19 -2.793 10.038 1.932 1.00 70.54 H new ATOM 0 HA TYR A 19 -1.931 7.578 3.257 1.00 22.22 H new ATOM 0 HB2 TYR A 19 -0.856 9.592 3.991 1.00 0.03 H new ATOM 0 HB3 TYR A 19 -2.376 10.455 4.107 1.00 0.03 H new ATOM 0 HD1 TYR A 19 -0.560 7.537 5.597 1.00 23.05 H new ATOM 0 HD2 TYR A 19 -3.495 10.571 6.175 1.00 41.25 H new ATOM 0 HE1 TYR A 19 -0.737 6.912 7.964 1.00 42.32 H new ATOM 0 HE2 TYR A 19 -3.671 9.951 8.545 1.00 24.34 H new ATOM 0 HH TYR A 19 -2.971 8.622 10.165 1.00 32.22 H new ATOM 272 N LYS A 20 -4.935 8.879 3.505 1.00 35.12 N ATOM 273 CA LYS A 20 -6.300 8.613 3.940 1.00 51.53 C ATOM 274 C LYS A 20 -6.900 7.442 3.167 1.00 24.42 C ATOM 275 O LYS A 20 -7.336 6.453 3.755 1.00 51.21 O ATOM 276 CB LYS A 20 -7.169 9.859 3.754 1.00 11.41 C ATOM 277 CG LYS A 20 -8.513 9.775 4.459 1.00 23.10 C ATOM 278 CD LYS A 20 -9.666 9.963 3.487 1.00 23.34 C ATOM 279 CE LYS A 20 -10.987 10.139 4.218 1.00 63.13 C ATOM 280 NZ LYS A 20 -11.541 8.836 4.682 1.00 15.15 N ATOM 0 H LYS A 20 -4.829 9.723 2.942 1.00 35.12 H new ATOM 0 HA LYS A 20 -6.272 8.351 4.998 1.00 51.53 H new ATOM 0 HB2 LYS A 20 -6.627 10.728 4.126 1.00 11.41 H new ATOM 0 HB3 LYS A 20 -7.336 10.019 2.689 1.00 11.41 H new ATOM 0 HG2 LYS A 20 -8.606 8.808 4.952 1.00 23.10 H new ATOM 0 HG3 LYS A 20 -8.565 10.536 5.238 1.00 23.10 H new ATOM 0 HD2 LYS A 20 -9.477 10.835 2.860 1.00 23.34 H new ATOM 0 HD3 LYS A 20 -9.728 9.101 2.823 1.00 23.34 H new ATOM 0 HE2 LYS A 20 -10.844 10.798 5.074 1.00 63.13 H new ATOM 0 HE3 LYS A 20 -11.706 10.625 3.558 1.00 63.13 H new ATOM 0 HZ1 LYS A 20 -12.442 8.998 5.176 1.00 15.15 H new ATOM 0 HZ2 LYS A 20 -11.702 8.216 3.863 1.00 15.15 H new ATOM 0 HZ3 LYS A 20 -10.867 8.384 5.332 1.00 15.15 H new ATOM 294 N LYS A 21 -6.918 7.561 1.843 1.00 75.55 N ATOM 295 CA LYS A 21 -7.459 6.513 0.987 1.00 70.23 C ATOM 296 C LYS A 21 -6.743 5.188 1.229 1.00 23.13 C ATOM 297 O LYS A 21 -7.371 4.130 1.277 1.00 42.13 O ATOM 298 CB LYS A 21 -7.335 6.910 -0.484 1.00 4.11 C ATOM 299 CG LYS A 21 -8.167 8.126 -0.859 1.00 31.12 C ATOM 300 CD LYS A 21 -8.671 8.037 -2.289 1.00 73.21 C ATOM 301 CE LYS A 21 -10.004 8.749 -2.456 1.00 40.32 C ATOM 302 NZ LYS A 21 -11.061 8.156 -1.592 1.00 54.44 N ATOM 0 H LYS A 21 -6.563 8.374 1.340 1.00 75.55 H new ATOM 0 HA LYS A 21 -8.513 6.387 1.234 1.00 70.23 H new ATOM 0 HB2 LYS A 21 -6.288 7.113 -0.710 1.00 4.11 H new ATOM 0 HB3 LYS A 21 -7.638 6.067 -1.106 1.00 4.11 H new ATOM 0 HG2 LYS A 21 -9.014 8.212 -0.178 1.00 31.12 H new ATOM 0 HG3 LYS A 21 -7.568 9.029 -0.739 1.00 31.12 H new ATOM 0 HD2 LYS A 21 -7.936 8.477 -2.963 1.00 73.21 H new ATOM 0 HD3 LYS A 21 -8.778 6.990 -2.573 1.00 73.21 H new ATOM 0 HE2 LYS A 21 -9.885 9.805 -2.212 1.00 40.32 H new ATOM 0 HE3 LYS A 21 -10.316 8.696 -3.499 1.00 40.32 H new ATOM 0 HZ1 LYS A 21 -11.990 8.287 -2.041 1.00 54.44 H new ATOM 0 HZ2 LYS A 21 -10.877 7.140 -1.466 1.00 54.44 H new ATOM 0 HZ3 LYS A 21 -11.055 8.626 -0.664 1.00 54.44 H new ATOM 316 N ALA A 22 -5.424 5.253 1.380 1.00 33.34 N ATOM 317 CA ALA A 22 -4.622 4.060 1.621 1.00 62.31 C ATOM 318 C ALA A 22 -5.039 3.370 2.916 1.00 62.40 C ATOM 319 O ALA A 22 -5.076 2.141 2.993 1.00 4.04 O ATOM 320 CB ALA A 22 -3.144 4.415 1.663 1.00 2.14 C ATOM 0 H ALA A 22 -4.888 6.120 1.340 1.00 33.34 H new ATOM 0 HA ALA A 22 -4.794 3.366 0.798 1.00 62.31 H new ATOM 0 HB1 ALA A 22 -2.558 3.514 1.844 1.00 2.14 H new ATOM 0 HB2 ALA A 22 -2.848 4.855 0.711 1.00 2.14 H new ATOM 0 HB3 ALA A 22 -2.964 5.131 2.465 1.00 2.14 H new ATOM 326 N PHE A 23 -5.353 4.167 3.931 1.00 62.40 N ATOM 327 CA PHE A 23 -5.765 3.633 5.223 1.00 35.13 C ATOM 328 C PHE A 23 -7.275 3.405 5.262 1.00 63.21 C ATOM 329 O PHE A 23 -7.790 2.732 6.156 1.00 25.20 O ATOM 330 CB PHE A 23 -5.354 4.586 6.347 1.00 31.44 C ATOM 331 CG PHE A 23 -4.170 4.104 7.137 1.00 3.24 C ATOM 332 CD1 PHE A 23 -4.291 3.038 8.013 1.00 74.21 C ATOM 333 CD2 PHE A 23 -2.936 4.719 7.003 1.00 32.42 C ATOM 334 CE1 PHE A 23 -3.203 2.594 8.742 1.00 24.31 C ATOM 335 CE2 PHE A 23 -1.843 4.279 7.729 1.00 14.01 C ATOM 336 CZ PHE A 23 -1.979 3.215 8.598 1.00 25.43 C ATOM 0 H PHE A 23 -5.330 5.186 3.884 1.00 62.40 H new ATOM 0 HA PHE A 23 -5.266 2.675 5.367 1.00 35.13 H new ATOM 0 HB2 PHE A 23 -5.123 5.562 5.919 1.00 31.44 H new ATOM 0 HB3 PHE A 23 -6.199 4.726 7.022 1.00 31.44 H new ATOM 0 HD1 PHE A 23 -5.246 2.548 8.128 1.00 74.21 H new ATOM 0 HD2 PHE A 23 -2.826 5.552 6.324 1.00 32.42 H new ATOM 0 HE1 PHE A 23 -3.311 1.763 9.423 1.00 24.31 H new ATOM 0 HE2 PHE A 23 -0.886 4.767 7.616 1.00 14.01 H new ATOM 0 HZ PHE A 23 -1.128 2.869 9.165 1.00 25.43 H new ATOM 346 N LEU A 24 -7.976 3.971 4.286 1.00 33.51 N ATOM 347 CA LEU A 24 -9.426 3.831 4.207 1.00 72.14 C ATOM 348 C LEU A 24 -9.810 2.496 3.576 1.00 75.42 C ATOM 349 O LEU A 24 -10.634 1.757 4.117 1.00 40.11 O ATOM 350 CB LEU A 24 -10.025 4.982 3.397 1.00 45.25 C ATOM 351 CG LEU A 24 -11.090 4.596 2.369 1.00 25.50 C ATOM 352 CD1 LEU A 24 -12.384 4.199 3.064 1.00 14.13 C ATOM 353 CD2 LEU A 24 -11.333 5.740 1.397 1.00 54.13 C ATOM 0 H LEU A 24 -7.565 4.531 3.539 1.00 33.51 H new ATOM 0 HA LEU A 24 -9.826 3.861 5.221 1.00 72.14 H new ATOM 0 HB2 LEU A 24 -10.462 5.700 4.091 1.00 45.25 H new ATOM 0 HB3 LEU A 24 -9.215 5.494 2.877 1.00 45.25 H new ATOM 0 HG LEU A 24 -10.727 3.737 1.804 1.00 25.50 H new ATOM 0 HD11 LEU A 24 -13.130 3.928 2.317 1.00 14.13 H new ATOM 0 HD12 LEU A 24 -12.199 3.347 3.718 1.00 14.13 H new ATOM 0 HD13 LEU A 24 -12.751 5.038 3.656 1.00 14.13 H new ATOM 0 HD21 LEU A 24 -12.094 5.447 0.673 1.00 54.13 H new ATOM 0 HD22 LEU A 24 -11.674 6.618 1.946 1.00 54.13 H new ATOM 0 HD23 LEU A 24 -10.406 5.976 0.874 1.00 54.13 H new ATOM 365 N PHE A 25 -9.207 2.191 2.433 1.00 44.43 N ATOM 366 CA PHE A 25 -9.486 0.944 1.729 1.00 23.03 C ATOM 367 C PHE A 25 -8.947 -0.251 2.509 1.00 50.11 C ATOM 368 O PHE A 25 -9.313 -1.397 2.244 1.00 13.22 O ATOM 369 CB PHE A 25 -8.869 0.975 0.330 1.00 74.02 C ATOM 370 CG PHE A 25 -9.685 1.745 -0.668 1.00 65.24 C ATOM 371 CD1 PHE A 25 -10.991 1.375 -0.947 1.00 14.14 C ATOM 372 CD2 PHE A 25 -9.147 2.837 -1.329 1.00 74.21 C ATOM 373 CE1 PHE A 25 -11.744 2.081 -1.867 1.00 54.03 C ATOM 374 CE2 PHE A 25 -9.896 3.547 -2.249 1.00 20.44 C ATOM 375 CZ PHE A 25 -11.196 3.168 -2.517 1.00 12.22 C ATOM 0 H PHE A 25 -8.521 2.790 1.973 1.00 44.43 H new ATOM 0 HA PHE A 25 -10.567 0.840 1.639 1.00 23.03 H new ATOM 0 HB2 PHE A 25 -7.874 1.415 0.390 1.00 74.02 H new ATOM 0 HB3 PHE A 25 -8.744 -0.048 -0.026 1.00 74.02 H new ATOM 0 HD1 PHE A 25 -11.425 0.526 -0.440 1.00 14.14 H new ATOM 0 HD2 PHE A 25 -8.130 3.137 -1.123 1.00 74.21 H new ATOM 0 HE1 PHE A 25 -12.760 1.782 -2.077 1.00 54.03 H new ATOM 0 HE2 PHE A 25 -9.465 4.397 -2.757 1.00 20.44 H new ATOM 0 HZ PHE A 25 -11.784 3.722 -3.235 1.00 12.22 H new ATOM 385 N VAL A 26 -8.073 0.023 3.474 1.00 45.21 N ATOM 386 CA VAL A 26 -7.485 -1.028 4.293 1.00 31.40 C ATOM 387 C VAL A 26 -8.438 -1.463 5.399 1.00 1.51 C ATOM 388 O VAL A 26 -8.715 -2.651 5.563 1.00 62.40 O ATOM 389 CB VAL A 26 -6.157 -0.570 4.925 1.00 74.43 C ATOM 390 CG1 VAL A 26 -5.723 -1.536 6.018 1.00 53.50 C ATOM 391 CG2 VAL A 26 -5.078 -0.436 3.862 1.00 54.40 C ATOM 0 H VAL A 26 -7.758 0.965 3.706 1.00 45.21 H new ATOM 0 HA VAL A 26 -7.292 -1.873 3.632 1.00 31.40 H new ATOM 0 HB VAL A 26 -6.311 0.409 5.379 1.00 74.43 H new ATOM 0 HG11 VAL A 26 -4.783 -1.196 6.452 1.00 53.50 H new ATOM 0 HG12 VAL A 26 -6.488 -1.575 6.794 1.00 53.50 H new ATOM 0 HG13 VAL A 26 -5.587 -2.530 5.592 1.00 53.50 H new ATOM 0 HG21 VAL A 26 -4.147 -0.112 4.327 1.00 54.40 H new ATOM 0 HG22 VAL A 26 -4.924 -1.400 3.376 1.00 54.40 H new ATOM 0 HG23 VAL A 26 -5.388 0.299 3.120 1.00 54.40 H new ATOM 401 N ASN A 27 -8.939 -0.493 6.156 1.00 74.20 N ATOM 402 CA ASN A 27 -9.864 -0.775 7.249 1.00 71.21 C ATOM 403 C ASN A 27 -11.034 -1.626 6.764 1.00 31.55 C ATOM 404 O ASN A 27 -11.751 -2.229 7.563 1.00 75.10 O ATOM 405 CB ASN A 27 -10.385 0.529 7.854 1.00 22.12 C ATOM 406 CG ASN A 27 -11.302 0.292 9.039 1.00 22.40 C ATOM 407 OD1 ASN A 27 -12.485 -0.003 8.870 1.00 35.05 O ATOM 408 ND2 ASN A 27 -10.758 0.420 10.242 1.00 2.11 N ATOM 0 H ASN A 27 -8.720 0.496 6.033 1.00 74.20 H new ATOM 0 HA ASN A 27 -9.324 -1.332 8.014 1.00 71.21 H new ATOM 0 HB2 ASN A 27 -9.541 1.143 8.168 1.00 22.12 H new ATOM 0 HB3 ASN A 27 -10.921 1.092 7.090 1.00 22.12 H new ATOM 0 HD21 ASN A 27 -11.325 0.272 11.077 1.00 2.11 H new ATOM 0 HD22 ASN A 27 -9.772 0.666 10.332 1.00 2.11 H new ATOM 415 N LYS A 28 -11.221 -1.671 5.450 1.00 74.43 N ATOM 416 CA LYS A 28 -12.301 -2.451 4.856 1.00 13.22 C ATOM 417 C LYS A 28 -11.892 -3.911 4.689 1.00 3.11 C ATOM 418 O LYS A 28 -12.496 -4.806 5.276 1.00 13.15 O ATOM 419 CB LYS A 28 -12.698 -1.862 3.502 1.00 63.52 C ATOM 420 CG LYS A 28 -13.768 -0.788 3.594 1.00 11.32 C ATOM 421 CD LYS A 28 -13.280 0.536 3.031 1.00 3.41 C ATOM 422 CE LYS A 28 -14.432 1.378 2.505 1.00 72.14 C ATOM 423 NZ LYS A 28 -15.327 1.842 3.602 1.00 34.11 N ATOM 0 H LYS A 28 -10.638 -1.176 4.775 1.00 74.43 H new ATOM 0 HA LYS A 28 -13.158 -2.408 5.528 1.00 13.22 H new ATOM 0 HB2 LYS A 28 -11.813 -1.441 3.025 1.00 63.52 H new ATOM 0 HB3 LYS A 28 -13.056 -2.665 2.857 1.00 63.52 H new ATOM 0 HG2 LYS A 28 -14.656 -1.110 3.050 1.00 11.32 H new ATOM 0 HG3 LYS A 28 -14.063 -0.655 4.635 1.00 11.32 H new ATOM 0 HD2 LYS A 28 -12.749 1.088 3.806 1.00 3.41 H new ATOM 0 HD3 LYS A 28 -12.568 0.350 2.227 1.00 3.41 H new ATOM 0 HE2 LYS A 28 -14.036 2.241 1.970 1.00 72.14 H new ATOM 0 HE3 LYS A 28 -15.009 0.795 1.787 1.00 72.14 H new ATOM 0 HZ1 LYS A 28 -16.099 2.412 3.202 1.00 34.11 H new ATOM 0 HZ2 LYS A 28 -15.725 1.019 4.097 1.00 34.11 H new ATOM 0 HZ3 LYS A 28 -14.782 2.419 4.274 1.00 34.11 H new ATOM 437 N GLY A 29 -10.861 -4.142 3.883 1.00 62.44 N ATOM 438 CA GLY A 29 -10.388 -5.495 3.653 1.00 22.34 C ATOM 439 C GLY A 29 -10.291 -6.300 4.933 1.00 54.30 C ATOM 440 O GLY A 29 -10.753 -7.441 4.994 1.00 4.05 O ATOM 0 H GLY A 29 -10.345 -3.417 3.385 1.00 62.44 H new ATOM 0 HA2 GLY A 29 -11.062 -5.999 2.960 1.00 22.34 H new ATOM 0 HA3 GLY A 29 -9.409 -5.458 3.175 1.00 22.34 H new ATOM 444 N LEU A 30 -9.688 -5.708 5.959 1.00 41.21 N ATOM 445 CA LEU A 30 -9.531 -6.380 7.244 1.00 51.22 C ATOM 446 C LEU A 30 -10.864 -6.935 7.736 1.00 45.35 C ATOM 447 O LEU A 30 -10.938 -8.066 8.214 1.00 65.33 O ATOM 448 CB LEU A 30 -8.956 -5.412 8.280 1.00 1.42 C ATOM 449 CG LEU A 30 -7.570 -4.844 7.971 1.00 2.21 C ATOM 450 CD1 LEU A 30 -7.306 -3.599 8.804 1.00 41.21 C ATOM 451 CD2 LEU A 30 -6.497 -5.893 8.221 1.00 0.43 C ATOM 0 H LEU A 30 -9.300 -4.765 5.926 1.00 41.21 H new ATOM 0 HA LEU A 30 -8.840 -7.212 7.109 1.00 51.22 H new ATOM 0 HB2 LEU A 30 -9.650 -4.580 8.395 1.00 1.42 H new ATOM 0 HB3 LEU A 30 -8.911 -5.924 9.241 1.00 1.42 H new ATOM 0 HG LEU A 30 -7.539 -4.565 6.918 1.00 2.21 H new ATOM 0 HD11 LEU A 30 -6.315 -3.209 8.571 1.00 41.21 H new ATOM 0 HD12 LEU A 30 -8.057 -2.843 8.576 1.00 41.21 H new ATOM 0 HD13 LEU A 30 -7.356 -3.852 9.863 1.00 41.21 H new ATOM 0 HD21 LEU A 30 -5.517 -5.472 7.996 1.00 0.43 H new ATOM 0 HD22 LEU A 30 -6.528 -6.203 9.266 1.00 0.43 H new ATOM 0 HD23 LEU A 30 -6.676 -6.757 7.581 1.00 0.43 H new ATOM 463 N ASN A 31 -11.915 -6.131 7.612 1.00 41.11 N ATOM 464 CA ASN A 31 -13.246 -6.544 8.042 1.00 13.42 C ATOM 465 C ASN A 31 -13.682 -7.814 7.321 1.00 51.33 C ATOM 466 O ASN A 31 -13.932 -8.844 7.948 1.00 33.41 O ATOM 467 CB ASN A 31 -14.259 -5.425 7.783 1.00 4.15 C ATOM 468 CG ASN A 31 -15.526 -5.590 8.598 1.00 25.12 C ATOM 469 OD1 ASN A 31 -15.521 -5.416 9.817 1.00 21.33 O ATOM 470 ND2 ASN A 31 -16.620 -5.929 7.927 1.00 0.21 N ATOM 0 H ASN A 31 -11.871 -5.191 7.218 1.00 41.11 H new ATOM 0 HA ASN A 31 -13.206 -6.750 9.112 1.00 13.42 H new ATOM 0 HB2 ASN A 31 -13.802 -4.464 8.018 1.00 4.15 H new ATOM 0 HB3 ASN A 31 -14.512 -5.407 6.723 1.00 4.15 H new ATOM 0 HD21 ASN A 31 -17.503 -6.056 8.422 1.00 0.21 H new ATOM 0 HD22 ASN A 31 -16.578 -6.063 6.917 1.00 0.21 H new ATOM 477 N THR A 32 -13.770 -7.736 5.996 1.00 54.25 N ATOM 478 CA THR A 32 -14.177 -8.879 5.188 1.00 35.20 C ATOM 479 C THR A 32 -13.354 -10.116 5.533 1.00 14.32 C ATOM 480 O THR A 32 -13.864 -11.237 5.516 1.00 3.11 O ATOM 481 CB THR A 32 -14.032 -8.584 3.684 1.00 41.42 C ATOM 482 OG1 THR A 32 -13.039 -7.573 3.477 1.00 45.02 O ATOM 483 CG2 THR A 32 -15.357 -8.128 3.092 1.00 44.34 C ATOM 0 H THR A 32 -13.565 -6.893 5.460 1.00 54.25 H new ATOM 0 HA THR A 32 -15.226 -9.068 5.414 1.00 35.20 H new ATOM 0 HB THR A 32 -13.725 -9.503 3.184 1.00 41.42 H new ATOM 0 HG1 THR A 32 -12.264 -7.753 4.050 1.00 45.02 H new ATOM 0 HG21 THR A 32 -15.230 -7.925 2.029 1.00 44.34 H new ATOM 0 HG22 THR A 32 -16.104 -8.911 3.226 1.00 44.34 H new ATOM 0 HG23 THR A 32 -15.688 -7.221 3.597 1.00 44.34 H new ATOM 491 N ASP A 33 -12.081 -9.905 5.846 1.00 33.35 N ATOM 492 CA ASP A 33 -11.187 -11.003 6.196 1.00 2.45 C ATOM 493 C ASP A 33 -11.684 -11.730 7.443 1.00 60.52 C ATOM 494 O ASP A 33 -11.524 -12.944 7.569 1.00 2.14 O ATOM 495 CB ASP A 33 -9.769 -10.480 6.427 1.00 24.35 C ATOM 496 CG ASP A 33 -8.997 -11.320 7.425 1.00 14.04 C ATOM 497 OD1 ASP A 33 -9.239 -11.168 8.642 1.00 53.42 O ATOM 498 OD2 ASP A 33 -8.151 -12.131 6.993 1.00 41.23 O ATOM 0 H ASP A 33 -11.644 -8.983 5.865 1.00 33.35 H new ATOM 0 HA ASP A 33 -11.174 -11.709 5.365 1.00 2.45 H new ATOM 0 HB2 ASP A 33 -9.232 -10.463 5.479 1.00 24.35 H new ATOM 0 HB3 ASP A 33 -9.818 -9.451 6.784 1.00 24.35 H new ATOM 504 N GLU A 34 -12.283 -10.978 8.361 1.00 53.31 N ATOM 505 CA GLU A 34 -12.799 -11.552 9.598 1.00 43.34 C ATOM 506 C GLU A 34 -14.098 -12.314 9.344 1.00 13.44 C ATOM 507 O GLU A 34 -14.333 -13.373 9.925 1.00 54.24 O ATOM 508 CB GLU A 34 -13.035 -10.453 10.637 1.00 23.24 C ATOM 509 CG GLU A 34 -11.860 -10.243 11.577 1.00 44.51 C ATOM 510 CD GLU A 34 -11.787 -11.295 12.666 1.00 2.54 C ATOM 511 OE1 GLU A 34 -11.573 -10.919 13.838 1.00 50.43 O ATOM 512 OE2 GLU A 34 -11.945 -12.492 12.348 1.00 63.03 O ATOM 0 H GLU A 34 -12.423 -9.972 8.272 1.00 53.31 H new ATOM 0 HA GLU A 34 -12.056 -12.251 9.981 1.00 43.34 H new ATOM 0 HB2 GLU A 34 -13.249 -9.517 10.121 1.00 23.24 H new ATOM 0 HB3 GLU A 34 -13.919 -10.703 11.224 1.00 23.24 H new ATOM 0 HG2 GLU A 34 -10.934 -10.256 11.003 1.00 44.51 H new ATOM 0 HG3 GLU A 34 -11.938 -9.257 12.035 1.00 44.51 H new ATOM 520 N LEU A 35 -14.938 -11.764 8.473 1.00 61.44 N ATOM 521 CA LEU A 35 -16.213 -12.389 8.141 1.00 33.31 C ATOM 522 C LEU A 35 -15.999 -13.690 7.374 1.00 72.51 C ATOM 523 O LEU A 35 -16.806 -14.614 7.458 1.00 75.03 O ATOM 524 CB LEU A 35 -17.074 -11.432 7.315 1.00 34.41 C ATOM 525 CG LEU A 35 -17.772 -10.316 8.092 1.00 30.54 C ATOM 526 CD1 LEU A 35 -16.973 -9.949 9.333 1.00 13.01 C ATOM 527 CD2 LEU A 35 -17.974 -9.095 7.207 1.00 43.15 C ATOM 0 H LEU A 35 -14.759 -10.887 7.984 1.00 61.44 H new ATOM 0 HA LEU A 35 -16.729 -12.619 9.073 1.00 33.31 H new ATOM 0 HB2 LEU A 35 -16.444 -10.976 6.551 1.00 34.41 H new ATOM 0 HB3 LEU A 35 -17.834 -12.016 6.795 1.00 34.41 H new ATOM 0 HG LEU A 35 -18.751 -10.677 8.408 1.00 30.54 H new ATOM 0 HD11 LEU A 35 -17.485 -9.153 9.873 1.00 13.01 H new ATOM 0 HD12 LEU A 35 -16.880 -10.823 9.977 1.00 13.01 H new ATOM 0 HD13 LEU A 35 -15.981 -9.607 9.039 1.00 13.01 H new ATOM 0 HD21 LEU A 35 -18.472 -8.311 7.777 1.00 43.15 H new ATOM 0 HD22 LEU A 35 -17.006 -8.733 6.861 1.00 43.15 H new ATOM 0 HD23 LEU A 35 -18.589 -9.366 6.348 1.00 43.15 H new ATOM 539 N GLY A 36 -14.901 -13.757 6.626 1.00 2.54 N ATOM 540 CA GLY A 36 -14.599 -14.948 5.855 1.00 32.33 C ATOM 541 C GLY A 36 -14.658 -14.703 4.360 1.00 53.23 C ATOM 542 O GLY A 36 -14.630 -15.646 3.570 1.00 3.41 O ATOM 0 H GLY A 36 -14.215 -13.007 6.541 1.00 2.54 H new ATOM 0 HA2 GLY A 36 -13.605 -15.307 6.122 1.00 32.33 H new ATOM 0 HA3 GLY A 36 -15.304 -15.736 6.119 1.00 32.33 H new ATOM 546 N GLN A 37 -14.745 -13.435 3.973 1.00 71.12 N ATOM 547 CA GLN A 37 -14.811 -13.070 2.563 1.00 54.23 C ATOM 548 C GLN A 37 -13.430 -12.712 2.027 1.00 2.24 C ATOM 549 O GLN A 37 -13.111 -11.536 1.841 1.00 53.32 O ATOM 550 CB GLN A 37 -15.771 -11.896 2.363 1.00 45.14 C ATOM 551 CG GLN A 37 -16.901 -11.855 3.378 1.00 52.12 C ATOM 552 CD GLN A 37 -18.233 -11.485 2.754 1.00 64.51 C ATOM 553 OE1 GLN A 37 -18.336 -11.313 1.539 1.00 25.43 O ATOM 554 NE2 GLN A 37 -19.262 -11.361 3.584 1.00 21.31 N ATOM 0 H GLN A 37 -14.771 -12.643 4.616 1.00 71.12 H new ATOM 0 HA GLN A 37 -15.182 -13.932 2.008 1.00 54.23 H new ATOM 0 HB2 GLN A 37 -15.209 -10.964 2.420 1.00 45.14 H new ATOM 0 HB3 GLN A 37 -16.196 -11.951 1.361 1.00 45.14 H new ATOM 0 HG2 GLN A 37 -16.988 -12.829 3.859 1.00 52.12 H new ATOM 0 HG3 GLN A 37 -16.657 -11.134 4.159 1.00 52.12 H new ATOM 0 HE21 GLN A 37 -19.132 -11.513 4.584 1.00 21.31 H new ATOM 0 HE22 GLN A 37 -20.183 -11.114 3.221 1.00 21.31 H new ATOM 563 N LYS A 38 -12.613 -13.729 1.781 1.00 31.04 N ATOM 564 CA LYS A 38 -11.263 -13.521 1.266 1.00 55.02 C ATOM 565 C LYS A 38 -11.301 -12.793 -0.073 1.00 23.43 C ATOM 566 O LYS A 38 -10.430 -11.975 -0.368 1.00 33.51 O ATOM 567 CB LYS A 38 -10.542 -14.863 1.111 1.00 52.21 C ATOM 568 CG LYS A 38 -10.732 -15.795 2.296 1.00 63.10 C ATOM 569 CD LYS A 38 -10.671 -15.042 3.613 1.00 55.41 C ATOM 570 CE LYS A 38 -10.401 -15.979 4.780 1.00 31.31 C ATOM 571 NZ LYS A 38 -9.166 -15.600 5.522 1.00 25.12 N ATOM 0 H LYS A 38 -12.861 -14.707 1.930 1.00 31.04 H new ATOM 0 HA LYS A 38 -10.717 -12.904 1.980 1.00 55.02 H new ATOM 0 HB2 LYS A 38 -10.902 -15.358 0.209 1.00 52.21 H new ATOM 0 HB3 LYS A 38 -9.477 -14.680 0.970 1.00 52.21 H new ATOM 0 HG2 LYS A 38 -11.693 -16.303 2.210 1.00 63.10 H new ATOM 0 HG3 LYS A 38 -9.962 -16.566 2.281 1.00 63.10 H new ATOM 0 HD2 LYS A 38 -9.888 -14.285 3.564 1.00 55.41 H new ATOM 0 HD3 LYS A 38 -11.612 -14.517 3.777 1.00 55.41 H new ATOM 0 HE2 LYS A 38 -11.252 -15.966 5.461 1.00 31.31 H new ATOM 0 HE3 LYS A 38 -10.304 -17.000 4.411 1.00 31.31 H new ATOM 0 HZ1 LYS A 38 -9.017 -16.263 6.310 1.00 25.12 H new ATOM 0 HZ2 LYS A 38 -8.349 -15.637 4.879 1.00 25.12 H new ATOM 0 HZ3 LYS A 38 -9.268 -14.635 5.896 1.00 25.12 H new ATOM 585 N GLU A 39 -12.312 -13.097 -0.880 1.00 2.51 N ATOM 586 CA GLU A 39 -12.459 -12.469 -2.188 1.00 41.45 C ATOM 587 C GLU A 39 -12.506 -10.949 -2.061 1.00 32.42 C ATOM 588 O GLU A 39 -11.649 -10.247 -2.596 1.00 13.43 O ATOM 589 CB GLU A 39 -13.730 -12.972 -2.878 1.00 72.31 C ATOM 590 CG GLU A 39 -14.092 -14.402 -2.517 1.00 44.45 C ATOM 591 CD GLU A 39 -15.092 -15.012 -3.482 1.00 23.31 C ATOM 592 OE1 GLU A 39 -15.153 -14.550 -4.642 1.00 12.00 O ATOM 593 OE2 GLU A 39 -15.811 -15.948 -3.078 1.00 51.12 O ATOM 0 H GLU A 39 -13.041 -13.773 -0.652 1.00 2.51 H new ATOM 0 HA GLU A 39 -11.593 -12.739 -2.792 1.00 41.45 H new ATOM 0 HB2 GLU A 39 -14.561 -12.318 -2.613 1.00 72.31 H new ATOM 0 HB3 GLU A 39 -13.600 -12.900 -3.958 1.00 72.31 H new ATOM 0 HG2 GLU A 39 -13.187 -15.010 -2.505 1.00 44.45 H new ATOM 0 HG3 GLU A 39 -14.505 -14.425 -1.509 1.00 44.45 H new ATOM 601 N GLU A 40 -13.511 -10.450 -1.348 1.00 54.21 N ATOM 602 CA GLU A 40 -13.669 -9.014 -1.152 1.00 11.23 C ATOM 603 C GLU A 40 -12.424 -8.413 -0.505 1.00 4.24 C ATOM 604 O GLU A 40 -11.957 -7.348 -0.906 1.00 35.35 O ATOM 605 CB GLU A 40 -14.896 -8.727 -0.284 1.00 3.41 C ATOM 606 CG GLU A 40 -16.135 -8.363 -1.084 1.00 63.11 C ATOM 607 CD GLU A 40 -16.349 -9.275 -2.276 1.00 72.53 C ATOM 608 OE1 GLU A 40 -16.222 -10.507 -2.110 1.00 23.52 O ATOM 609 OE2 GLU A 40 -16.645 -8.759 -3.375 1.00 55.01 O ATOM 0 H GLU A 40 -14.227 -11.019 -0.897 1.00 54.21 H new ATOM 0 HA GLU A 40 -13.808 -8.553 -2.130 1.00 11.23 H new ATOM 0 HB2 GLU A 40 -15.112 -9.604 0.326 1.00 3.41 H new ATOM 0 HB3 GLU A 40 -14.663 -7.912 0.401 1.00 3.41 H new ATOM 0 HG2 GLU A 40 -17.009 -8.410 -0.434 1.00 63.11 H new ATOM 0 HG3 GLU A 40 -16.050 -7.333 -1.430 1.00 63.11 H new ATOM 617 N ALA A 41 -11.892 -9.106 0.497 1.00 4.41 N ATOM 618 CA ALA A 41 -10.701 -8.642 1.198 1.00 74.44 C ATOM 619 C ALA A 41 -9.559 -8.373 0.224 1.00 42.42 C ATOM 620 O ALA A 41 -9.078 -7.246 0.110 1.00 73.32 O ATOM 621 CB ALA A 41 -10.274 -9.661 2.245 1.00 55.44 C ATOM 0 H ALA A 41 -12.267 -9.990 0.841 1.00 4.41 H new ATOM 0 HA ALA A 41 -10.947 -7.704 1.697 1.00 74.44 H new ATOM 0 HB1 ALA A 41 -9.384 -9.302 2.761 1.00 55.44 H new ATOM 0 HB2 ALA A 41 -11.079 -9.801 2.966 1.00 55.44 H new ATOM 0 HB3 ALA A 41 -10.053 -10.611 1.759 1.00 55.44 H new ATOM 627 N LYS A 42 -9.130 -9.416 -0.478 1.00 63.31 N ATOM 628 CA LYS A 42 -8.046 -9.294 -1.445 1.00 32.25 C ATOM 629 C LYS A 42 -8.201 -8.028 -2.281 1.00 41.54 C ATOM 630 O LYS A 42 -7.244 -7.280 -2.475 1.00 10.24 O ATOM 631 CB LYS A 42 -8.008 -10.521 -2.360 1.00 51.23 C ATOM 632 CG LYS A 42 -7.486 -11.774 -1.677 1.00 43.15 C ATOM 633 CD LYS A 42 -7.493 -12.965 -2.620 1.00 30.24 C ATOM 634 CE LYS A 42 -8.820 -13.707 -2.572 1.00 72.42 C ATOM 635 NZ LYS A 42 -9.324 -14.031 -3.935 1.00 4.53 N ATOM 0 H LYS A 42 -9.517 -10.356 -0.395 1.00 63.31 H new ATOM 0 HA LYS A 42 -7.108 -9.231 -0.893 1.00 32.25 H new ATOM 0 HB2 LYS A 42 -9.013 -10.714 -2.736 1.00 51.23 H new ATOM 0 HB3 LYS A 42 -7.381 -10.300 -3.224 1.00 51.23 H new ATOM 0 HG2 LYS A 42 -6.472 -11.599 -1.318 1.00 43.15 H new ATOM 0 HG3 LYS A 42 -8.099 -11.996 -0.804 1.00 43.15 H new ATOM 0 HD2 LYS A 42 -7.302 -12.625 -3.638 1.00 30.24 H new ATOM 0 HD3 LYS A 42 -6.685 -13.646 -2.354 1.00 30.24 H new ATOM 0 HE2 LYS A 42 -8.701 -14.628 -2.001 1.00 72.42 H new ATOM 0 HE3 LYS A 42 -9.557 -13.099 -2.047 1.00 72.42 H new ATOM 0 HZ1 LYS A 42 -10.230 -14.536 -3.859 1.00 4.53 H new ATOM 0 HZ2 LYS A 42 -9.462 -13.151 -4.472 1.00 4.53 H new ATOM 0 HZ3 LYS A 42 -8.633 -14.632 -4.427 1.00 4.53 H new ATOM 649 N ASN A 43 -9.414 -7.794 -2.771 1.00 24.22 N ATOM 650 CA ASN A 43 -9.696 -6.618 -3.586 1.00 23.32 C ATOM 651 C ASN A 43 -9.376 -5.337 -2.820 1.00 14.31 C ATOM 652 O ASN A 43 -8.687 -4.452 -3.328 1.00 15.22 O ATOM 653 CB ASN A 43 -11.160 -6.612 -4.024 1.00 42.43 C ATOM 654 CG ASN A 43 -11.636 -5.233 -4.437 1.00 54.22 C ATOM 655 OD1 ASN A 43 -10.835 -4.367 -4.790 1.00 31.01 O ATOM 656 ND2 ASN A 43 -12.947 -5.022 -4.396 1.00 60.32 N ATOM 0 H ASN A 43 -10.218 -8.403 -2.618 1.00 24.22 H new ATOM 0 HA ASN A 43 -9.061 -6.660 -4.471 1.00 23.32 H new ATOM 0 HB2 ASN A 43 -11.290 -7.302 -4.857 1.00 42.43 H new ATOM 0 HB3 ASN A 43 -11.782 -6.978 -3.207 1.00 42.43 H new ATOM 0 HD21 ASN A 43 -13.326 -4.114 -4.664 1.00 60.32 H new ATOM 0 HD22 ASN A 43 -13.575 -5.768 -4.097 1.00 60.32 H new ATOM 663 N TYR A 44 -9.884 -5.246 -1.595 1.00 4.23 N ATOM 664 CA TYR A 44 -9.656 -4.074 -0.759 1.00 35.44 C ATOM 665 C TYR A 44 -8.166 -3.766 -0.646 1.00 43.40 C ATOM 666 O TYR A 44 -7.742 -2.620 -0.807 1.00 12.10 O ATOM 667 CB TYR A 44 -10.249 -4.291 0.634 1.00 73.32 C ATOM 668 CG TYR A 44 -11.744 -4.073 0.696 1.00 55.43 C ATOM 669 CD1 TYR A 44 -12.293 -2.816 0.476 1.00 64.31 C ATOM 670 CD2 TYR A 44 -12.608 -5.125 0.975 1.00 74.42 C ATOM 671 CE1 TYR A 44 -13.658 -2.613 0.532 1.00 21.21 C ATOM 672 CE2 TYR A 44 -13.975 -4.932 1.031 1.00 32.23 C ATOM 673 CZ TYR A 44 -14.495 -3.673 0.810 1.00 22.33 C ATOM 674 OH TYR A 44 -15.855 -3.476 0.867 1.00 43.31 O ATOM 0 H TYR A 44 -10.456 -5.970 -1.160 1.00 4.23 H new ATOM 0 HA TYR A 44 -10.150 -3.224 -1.229 1.00 35.44 H new ATOM 0 HB2 TYR A 44 -10.024 -5.306 0.961 1.00 73.32 H new ATOM 0 HB3 TYR A 44 -9.762 -3.615 1.336 1.00 73.32 H new ATOM 0 HD1 TYR A 44 -11.641 -1.983 0.257 1.00 64.31 H new ATOM 0 HD2 TYR A 44 -12.204 -6.111 1.151 1.00 74.42 H new ATOM 0 HE1 TYR A 44 -14.068 -1.629 0.359 1.00 21.21 H new ATOM 0 HE2 TYR A 44 -14.632 -5.761 1.246 1.00 32.23 H new ATOM 0 HH TYR A 44 -16.300 -4.325 1.072 1.00 43.31 H new ATOM 684 N TYR A 45 -7.375 -4.797 -0.370 1.00 45.21 N ATOM 685 CA TYR A 45 -5.931 -4.639 -0.234 1.00 44.45 C ATOM 686 C TYR A 45 -5.308 -4.182 -1.550 1.00 35.13 C ATOM 687 O TYR A 45 -4.380 -3.373 -1.563 1.00 71.00 O ATOM 688 CB TYR A 45 -5.293 -5.953 0.217 1.00 41.54 C ATOM 689 CG TYR A 45 -5.802 -6.446 1.553 1.00 20.22 C ATOM 690 CD1 TYR A 45 -5.661 -5.674 2.700 1.00 73.13 C ATOM 691 CD2 TYR A 45 -6.425 -7.683 1.667 1.00 15.53 C ATOM 692 CE1 TYR A 45 -6.123 -6.121 3.922 1.00 53.14 C ATOM 693 CE2 TYR A 45 -6.892 -8.136 2.886 1.00 72.34 C ATOM 694 CZ TYR A 45 -6.739 -7.353 4.011 1.00 45.22 C ATOM 695 OH TYR A 45 -7.202 -7.801 5.226 1.00 30.43 O ATOM 0 H TYR A 45 -7.709 -5.751 -0.236 1.00 45.21 H new ATOM 0 HA TYR A 45 -5.743 -3.875 0.521 1.00 44.45 H new ATOM 0 HB2 TYR A 45 -5.481 -6.716 -0.538 1.00 41.54 H new ATOM 0 HB3 TYR A 45 -4.213 -5.821 0.275 1.00 41.54 H new ATOM 0 HD1 TYR A 45 -5.182 -4.708 2.634 1.00 73.13 H new ATOM 0 HD2 TYR A 45 -6.546 -8.300 0.789 1.00 15.53 H new ATOM 0 HE1 TYR A 45 -6.003 -5.510 4.804 1.00 53.14 H new ATOM 0 HE2 TYR A 45 -7.375 -9.099 2.958 1.00 72.34 H new ATOM 0 HH TYR A 45 -7.610 -8.685 5.115 1.00 30.43 H new ATOM 705 N LYS A 46 -5.824 -4.707 -2.655 1.00 3.23 N ATOM 706 CA LYS A 46 -5.322 -4.355 -3.978 1.00 22.43 C ATOM 707 C LYS A 46 -5.669 -2.910 -4.325 1.00 61.12 C ATOM 708 O LYS A 46 -5.126 -2.343 -5.273 1.00 40.24 O ATOM 709 CB LYS A 46 -5.900 -5.298 -5.035 1.00 73.41 C ATOM 710 CG LYS A 46 -5.066 -6.548 -5.255 1.00 42.32 C ATOM 711 CD LYS A 46 -5.740 -7.504 -6.224 1.00 53.24 C ATOM 712 CE LYS A 46 -4.888 -8.740 -6.473 1.00 3.23 C ATOM 713 NZ LYS A 46 -5.066 -9.268 -7.854 1.00 20.25 N ATOM 0 H LYS A 46 -6.591 -5.379 -2.661 1.00 3.23 H new ATOM 0 HA LYS A 46 -4.237 -4.457 -3.965 1.00 22.43 H new ATOM 0 HB2 LYS A 46 -6.907 -5.591 -4.737 1.00 73.41 H new ATOM 0 HB3 LYS A 46 -5.990 -4.761 -5.979 1.00 73.41 H new ATOM 0 HG2 LYS A 46 -4.085 -6.269 -5.640 1.00 42.32 H new ATOM 0 HG3 LYS A 46 -4.903 -7.050 -4.301 1.00 42.32 H new ATOM 0 HD2 LYS A 46 -6.709 -7.804 -5.826 1.00 53.24 H new ATOM 0 HD3 LYS A 46 -5.927 -6.994 -7.169 1.00 53.24 H new ATOM 0 HE2 LYS A 46 -3.838 -8.496 -6.310 1.00 3.23 H new ATOM 0 HE3 LYS A 46 -5.151 -9.514 -5.752 1.00 3.23 H new ATOM 0 HZ1 LYS A 46 -4.469 -10.110 -7.984 1.00 20.25 H new ATOM 0 HZ2 LYS A 46 -6.063 -9.525 -8.002 1.00 20.25 H new ATOM 0 HZ3 LYS A 46 -4.791 -8.539 -8.543 1.00 20.25 H new ATOM 727 N GLN A 47 -6.577 -2.323 -3.552 1.00 72.13 N ATOM 728 CA GLN A 47 -6.996 -0.945 -3.779 1.00 33.23 C ATOM 729 C GLN A 47 -6.179 0.020 -2.926 1.00 11.34 C ATOM 730 O GLN A 47 -5.763 1.079 -3.395 1.00 71.33 O ATOM 731 CB GLN A 47 -8.486 -0.784 -3.468 1.00 35.34 C ATOM 732 CG GLN A 47 -9.364 -1.826 -4.141 1.00 33.54 C ATOM 733 CD GLN A 47 -10.324 -1.220 -5.144 1.00 25.23 C ATOM 734 OE1 GLN A 47 -9.915 -0.499 -6.055 1.00 22.24 O ATOM 735 NE2 GLN A 47 -11.610 -1.509 -4.984 1.00 23.52 N ATOM 0 H GLN A 47 -7.036 -2.780 -2.764 1.00 72.13 H new ATOM 0 HA GLN A 47 -6.824 -0.708 -4.829 1.00 33.23 H new ATOM 0 HB2 GLN A 47 -8.632 -0.840 -2.389 1.00 35.34 H new ATOM 0 HB3 GLN A 47 -8.809 0.209 -3.782 1.00 35.34 H new ATOM 0 HG2 GLN A 47 -8.732 -2.557 -4.645 1.00 33.54 H new ATOM 0 HG3 GLN A 47 -9.930 -2.364 -3.381 1.00 33.54 H new ATOM 0 HE21 GLN A 47 -11.906 -2.111 -4.215 1.00 23.52 H new ATOM 0 HE22 GLN A 47 -12.302 -1.129 -5.630 1.00 23.52 H new ATOM 744 N GLY A 48 -5.953 -0.353 -1.670 1.00 42.42 N ATOM 745 CA GLY A 48 -5.187 0.490 -0.771 1.00 51.15 C ATOM 746 C GLY A 48 -3.704 0.474 -1.084 1.00 53.31 C ATOM 747 O GLY A 48 -3.032 1.501 -0.992 1.00 10.35 O ATOM 0 H GLY A 48 -6.287 -1.225 -1.259 1.00 42.42 H new ATOM 0 HA2 GLY A 48 -5.557 1.513 -0.833 1.00 51.15 H new ATOM 0 HA3 GLY A 48 -5.342 0.157 0.255 1.00 51.15 H new ATOM 751 N ILE A 49 -3.192 -0.695 -1.453 1.00 12.30 N ATOM 752 CA ILE A 49 -1.779 -0.840 -1.780 1.00 53.14 C ATOM 753 C ILE A 49 -1.355 0.167 -2.842 1.00 23.12 C ATOM 754 O ILE A 49 -0.324 0.827 -2.710 1.00 20.51 O ATOM 755 CB ILE A 49 -1.459 -2.263 -2.279 1.00 43.51 C ATOM 756 CG1 ILE A 49 -1.529 -3.260 -1.121 1.00 63.13 C ATOM 757 CG2 ILE A 49 -0.087 -2.298 -2.934 1.00 22.22 C ATOM 758 CD1 ILE A 49 -1.642 -4.701 -1.573 1.00 34.25 C ATOM 0 H ILE A 49 -3.734 -1.555 -1.533 1.00 12.30 H new ATOM 0 HA ILE A 49 -1.222 -0.652 -0.862 1.00 53.14 H new ATOM 0 HB ILE A 49 -2.202 -2.547 -3.024 1.00 43.51 H new ATOM 0 HG12 ILE A 49 -0.638 -3.150 -0.502 1.00 63.13 H new ATOM 0 HG13 ILE A 49 -2.386 -3.016 -0.493 1.00 63.13 H new ATOM 0 HG21 ILE A 49 0.125 -3.309 -3.281 1.00 22.22 H new ATOM 0 HG22 ILE A 49 -0.071 -1.613 -3.781 1.00 22.22 H new ATOM 0 HG23 ILE A 49 0.670 -1.997 -2.210 1.00 22.22 H new ATOM 0 HD11 ILE A 49 -1.687 -5.353 -0.701 1.00 34.25 H new ATOM 0 HD12 ILE A 49 -2.547 -4.826 -2.167 1.00 34.25 H new ATOM 0 HD13 ILE A 49 -0.773 -4.962 -2.177 1.00 34.25 H new ATOM 770 N GLY A 50 -2.157 0.282 -3.897 1.00 20.35 N ATOM 771 CA GLY A 50 -1.847 1.213 -4.966 1.00 43.04 C ATOM 772 C GLY A 50 -1.820 2.653 -4.492 1.00 75.34 C ATOM 773 O GLY A 50 -1.173 3.503 -5.104 1.00 53.24 O ATOM 0 H GLY A 50 -3.015 -0.253 -4.030 1.00 20.35 H new ATOM 0 HA2 GLY A 50 -0.879 0.957 -5.397 1.00 43.04 H new ATOM 0 HA3 GLY A 50 -2.587 1.109 -5.760 1.00 43.04 H new ATOM 777 N HIS A 51 -2.524 2.928 -3.398 1.00 72.14 N ATOM 778 CA HIS A 51 -2.580 4.275 -2.844 1.00 32.51 C ATOM 779 C HIS A 51 -1.407 4.521 -1.899 1.00 14.32 C ATOM 780 O HIS A 51 -0.848 5.619 -1.858 1.00 70.04 O ATOM 781 CB HIS A 51 -3.900 4.491 -2.104 1.00 3.05 C ATOM 782 CG HIS A 51 -4.972 5.098 -2.956 1.00 32.41 C ATOM 783 ND1 HIS A 51 -4.998 6.435 -3.293 1.00 74.33 N ATOM 784 CD2 HIS A 51 -6.057 4.542 -3.541 1.00 43.41 C ATOM 785 CE1 HIS A 51 -6.055 6.675 -4.048 1.00 24.45 C ATOM 786 NE2 HIS A 51 -6.714 5.544 -4.214 1.00 74.35 N ATOM 0 H HIS A 51 -3.063 2.235 -2.878 1.00 72.14 H new ATOM 0 HA HIS A 51 -2.515 4.984 -3.669 1.00 32.51 H new ATOM 0 HB2 HIS A 51 -4.252 3.534 -1.719 1.00 3.05 H new ATOM 0 HB3 HIS A 51 -3.723 5.136 -1.243 1.00 3.05 H new ATOM 0 HD2 HIS A 51 -6.352 3.504 -3.489 1.00 43.41 H new ATOM 0 HE1 HIS A 51 -6.333 7.634 -4.460 1.00 24.45 H new ATOM 0 HE2 HIS A 51 -7.572 5.432 -4.754 1.00 74.35 H new ATOM 795 N LEU A 52 -1.039 3.495 -1.140 1.00 22.31 N ATOM 796 CA LEU A 52 0.068 3.600 -0.195 1.00 22.41 C ATOM 797 C LEU A 52 1.324 4.123 -0.883 1.00 31.32 C ATOM 798 O LEU A 52 2.034 4.972 -0.340 1.00 2.20 O ATOM 799 CB LEU A 52 0.351 2.238 0.442 1.00 11.42 C ATOM 800 CG LEU A 52 -0.587 1.820 1.576 1.00 33.40 C ATOM 801 CD1 LEU A 52 -0.408 0.344 1.899 1.00 30.02 C ATOM 802 CD2 LEU A 52 -0.340 2.672 2.813 1.00 34.44 C ATOM 0 H LEU A 52 -1.491 2.581 -1.160 1.00 22.31 H new ATOM 0 HA LEU A 52 -0.218 4.307 0.584 1.00 22.41 H new ATOM 0 HB2 LEU A 52 0.307 1.478 -0.338 1.00 11.42 H new ATOM 0 HB3 LEU A 52 1.372 2.243 0.825 1.00 11.42 H new ATOM 0 HG LEU A 52 -1.615 1.978 1.249 1.00 33.40 H new ATOM 0 HD11 LEU A 52 -1.083 0.064 2.708 1.00 30.02 H new ATOM 0 HD12 LEU A 52 -0.634 -0.252 1.015 1.00 30.02 H new ATOM 0 HD13 LEU A 52 0.622 0.161 2.206 1.00 30.02 H new ATOM 0 HD21 LEU A 52 -1.016 2.361 3.610 1.00 34.44 H new ATOM 0 HD22 LEU A 52 0.691 2.545 3.142 1.00 34.44 H new ATOM 0 HD23 LEU A 52 -0.519 3.720 2.574 1.00 34.44 H new ATOM 814 N LEU A 53 1.593 3.615 -2.080 1.00 73.33 N ATOM 815 CA LEU A 53 2.763 4.032 -2.843 1.00 42.41 C ATOM 816 C LEU A 53 2.568 5.432 -3.417 1.00 63.11 C ATOM 817 O LEU A 53 3.495 6.241 -3.431 1.00 4.51 O ATOM 818 CB LEU A 53 3.038 3.039 -3.975 1.00 65.15 C ATOM 819 CG LEU A 53 3.263 1.587 -3.554 1.00 51.02 C ATOM 820 CD1 LEU A 53 3.170 0.662 -4.757 1.00 64.15 C ATOM 821 CD2 LEU A 53 4.609 1.434 -2.863 1.00 74.10 C ATOM 0 H LEU A 53 1.016 2.913 -2.543 1.00 73.33 H new ATOM 0 HA LEU A 53 3.619 4.052 -2.168 1.00 42.41 H new ATOM 0 HB2 LEU A 53 2.198 3.069 -4.670 1.00 65.15 H new ATOM 0 HB3 LEU A 53 3.917 3.378 -4.523 1.00 65.15 H new ATOM 0 HG LEU A 53 2.482 1.309 -2.847 1.00 51.02 H new ATOM 0 HD11 LEU A 53 3.333 -0.367 -4.438 1.00 64.15 H new ATOM 0 HD12 LEU A 53 2.182 0.750 -5.208 1.00 64.15 H new ATOM 0 HD13 LEU A 53 3.929 0.939 -5.489 1.00 64.15 H new ATOM 0 HD21 LEU A 53 4.752 0.394 -2.570 1.00 74.10 H new ATOM 0 HD22 LEU A 53 5.405 1.731 -3.546 1.00 74.10 H new ATOM 0 HD23 LEU A 53 4.637 2.067 -1.976 1.00 74.10 H new ATOM 833 N ARG A 54 1.356 5.709 -3.887 1.00 2.54 N ATOM 834 CA ARG A 54 1.038 7.013 -4.459 1.00 2.12 C ATOM 835 C ARG A 54 1.470 8.138 -3.524 1.00 73.11 C ATOM 836 O ARG A 54 1.821 9.230 -3.970 1.00 13.32 O ATOM 837 CB ARG A 54 -0.460 7.117 -4.741 1.00 43.44 C ATOM 838 CG ARG A 54 -0.878 8.457 -5.328 1.00 43.42 C ATOM 839 CD ARG A 54 -1.542 8.288 -6.686 1.00 54.13 C ATOM 840 NE ARG A 54 -2.089 9.546 -7.187 1.00 43.43 N ATOM 841 CZ ARG A 54 -2.470 9.731 -8.446 1.00 44.43 C ATOM 842 NH1 ARG A 54 -2.368 8.744 -9.326 1.00 21.42 N ATOM 843 NH2 ARG A 54 -2.958 10.905 -8.828 1.00 42.23 N ATOM 0 H ARG A 54 0.578 5.049 -3.883 1.00 2.54 H new ATOM 0 HA ARG A 54 1.585 7.114 -5.396 1.00 2.12 H new ATOM 0 HB2 ARG A 54 -0.748 6.323 -5.430 1.00 43.44 H new ATOM 0 HB3 ARG A 54 -1.008 6.949 -3.814 1.00 43.44 H new ATOM 0 HG2 ARG A 54 -1.566 8.956 -4.645 1.00 43.42 H new ATOM 0 HG3 ARG A 54 -0.004 9.101 -5.427 1.00 43.42 H new ATOM 0 HD2 ARG A 54 -0.815 7.899 -7.399 1.00 54.13 H new ATOM 0 HD3 ARG A 54 -2.341 7.550 -6.610 1.00 54.13 H new ATOM 0 HE ARG A 54 -2.184 10.325 -6.535 1.00 43.43 H new ATOM 0 HH11 ARG A 54 -1.996 7.839 -9.037 1.00 21.42 H new ATOM 0 HH12 ARG A 54 -2.662 8.890 -10.292 1.00 21.42 H new ATOM 0 HH21 ARG A 54 -3.041 11.666 -8.154 1.00 42.23 H new ATOM 0 HH22 ARG A 54 -3.250 11.046 -9.795 1.00 42.23 H new ATOM 857 N GLY A 55 1.443 7.864 -2.223 1.00 52.04 N ATOM 858 CA GLY A 55 1.834 8.862 -1.246 1.00 52.25 C ATOM 859 C GLY A 55 3.311 8.798 -0.909 1.00 40.51 C ATOM 860 O GLY A 55 3.880 9.764 -0.402 1.00 41.33 O ATOM 0 H GLY A 55 1.157 6.968 -1.829 1.00 52.04 H new ATOM 0 HA2 GLY A 55 1.595 9.854 -1.629 1.00 52.25 H new ATOM 0 HA3 GLY A 55 1.251 8.723 -0.336 1.00 52.25 H new ATOM 864 N ILE A 56 3.930 7.658 -1.191 1.00 22.43 N ATOM 865 CA ILE A 56 5.349 7.473 -0.916 1.00 32.45 C ATOM 866 C ILE A 56 6.191 7.729 -2.161 1.00 65.31 C ATOM 867 O ILE A 56 7.420 7.740 -2.102 1.00 50.52 O ATOM 868 CB ILE A 56 5.642 6.053 -0.396 1.00 64.35 C ATOM 869 CG1 ILE A 56 4.729 5.720 0.787 1.00 25.41 C ATOM 870 CG2 ILE A 56 7.105 5.924 0.003 1.00 74.21 C ATOM 871 CD1 ILE A 56 4.315 4.267 0.841 1.00 3.51 C ATOM 0 H ILE A 56 3.472 6.849 -1.610 1.00 22.43 H new ATOM 0 HA ILE A 56 5.616 8.196 -0.146 1.00 32.45 H new ATOM 0 HB ILE A 56 5.441 5.341 -1.197 1.00 64.35 H new ATOM 0 HG12 ILE A 56 5.241 5.978 1.714 1.00 25.41 H new ATOM 0 HG13 ILE A 56 3.836 6.342 0.732 1.00 25.41 H new ATOM 0 HG21 ILE A 56 7.295 4.915 0.368 1.00 74.21 H new ATOM 0 HG22 ILE A 56 7.737 6.122 -0.863 1.00 74.21 H new ATOM 0 HG23 ILE A 56 7.332 6.643 0.790 1.00 74.21 H new ATOM 0 HD11 ILE A 56 3.670 4.104 1.704 1.00 3.51 H new ATOM 0 HD12 ILE A 56 3.775 4.009 -0.070 1.00 3.51 H new ATOM 0 HD13 ILE A 56 5.202 3.639 0.928 1.00 3.51 H new ATOM 883 N SER A 57 5.518 7.936 -3.289 1.00 61.50 N ATOM 884 CA SER A 57 6.204 8.191 -4.551 1.00 63.14 C ATOM 885 C SER A 57 6.188 9.679 -4.888 1.00 53.12 C ATOM 886 O SER A 57 6.105 10.061 -6.056 1.00 13.44 O ATOM 887 CB SER A 57 5.549 7.394 -5.681 1.00 63.45 C ATOM 888 OG SER A 57 5.845 6.013 -5.569 1.00 71.12 O ATOM 0 H SER A 57 4.500 7.932 -3.355 1.00 61.50 H new ATOM 0 HA SER A 57 7.241 7.872 -4.443 1.00 63.14 H new ATOM 0 HB2 SER A 57 4.469 7.541 -5.655 1.00 63.45 H new ATOM 0 HB3 SER A 57 5.899 7.767 -6.644 1.00 63.45 H new ATOM 0 HG SER A 57 5.278 5.612 -4.877 1.00 71.12 H new ATOM 894 N ILE A 58 6.266 10.512 -3.856 1.00 2.33 N ATOM 895 CA ILE A 58 6.260 11.958 -4.041 1.00 4.12 C ATOM 896 C ILE A 58 7.673 12.489 -4.264 1.00 72.11 C ATOM 897 O ILE A 58 8.179 12.484 -5.385 1.00 24.53 O ATOM 898 CB ILE A 58 5.638 12.679 -2.831 1.00 4.04 C ATOM 899 CG1 ILE A 58 4.128 12.435 -2.784 1.00 24.40 C ATOM 900 CG2 ILE A 58 5.938 14.169 -2.889 1.00 50.22 C ATOM 901 CD1 ILE A 58 3.394 12.968 -3.994 1.00 51.11 C ATOM 0 H ILE A 58 6.334 10.211 -2.884 1.00 2.33 H new ATOM 0 HA ILE A 58 5.654 12.160 -4.924 1.00 4.12 H new ATOM 0 HB ILE A 58 6.081 12.275 -1.920 1.00 4.04 H new ATOM 0 HG12 ILE A 58 3.943 11.364 -2.699 1.00 24.40 H new ATOM 0 HG13 ILE A 58 3.720 12.901 -1.887 1.00 24.40 H new ATOM 0 HG21 ILE A 58 5.491 14.664 -2.027 1.00 50.22 H new ATOM 0 HG22 ILE A 58 7.017 14.324 -2.878 1.00 50.22 H new ATOM 0 HG23 ILE A 58 5.521 14.589 -3.804 1.00 50.22 H new ATOM 0 HD11 ILE A 58 2.329 12.760 -3.894 1.00 51.11 H new ATOM 0 HD12 ILE A 58 3.549 14.044 -4.068 1.00 51.11 H new ATOM 0 HD13 ILE A 58 3.775 12.484 -4.893 1.00 51.11 H new ATOM 913 N SER A 59 8.304 12.945 -3.186 1.00 62.42 N ATOM 914 CA SER A 59 9.659 13.480 -3.264 1.00 2.24 C ATOM 915 C SER A 59 10.211 13.764 -1.871 1.00 70.31 C ATOM 916 O SER A 59 11.020 12.997 -1.344 1.00 4.41 O ATOM 917 CB SER A 59 9.676 14.761 -4.102 1.00 0.55 C ATOM 918 OG SER A 59 10.370 14.562 -5.322 1.00 53.31 O ATOM 0 H SER A 59 7.899 12.955 -2.250 1.00 62.42 H new ATOM 0 HA SER A 59 10.292 12.732 -3.742 1.00 2.24 H new ATOM 0 HB2 SER A 59 8.654 15.078 -4.309 1.00 0.55 H new ATOM 0 HB3 SER A 59 10.150 15.563 -3.537 1.00 0.55 H new ATOM 0 HG SER A 59 9.963 13.818 -5.812 1.00 53.31 H new ATOM 924 N SER A 60 9.770 14.868 -1.278 1.00 52.01 N ATOM 925 CA SER A 60 10.223 15.256 0.053 1.00 75.14 C ATOM 926 C SER A 60 11.701 14.931 0.239 1.00 13.23 C ATOM 927 O SER A 60 12.157 14.670 1.353 1.00 30.04 O ATOM 928 CB SER A 60 9.394 14.542 1.124 1.00 1.02 C ATOM 929 OG SER A 60 9.745 13.172 1.213 1.00 23.04 O ATOM 0 H SER A 60 9.099 15.511 -1.698 1.00 52.01 H new ATOM 0 HA SER A 60 10.089 16.333 0.157 1.00 75.14 H new ATOM 0 HB2 SER A 60 9.549 15.024 2.089 1.00 1.02 H new ATOM 0 HB3 SER A 60 8.334 14.634 0.889 1.00 1.02 H new ATOM 0 HG SER A 60 10.199 12.896 0.389 1.00 23.04 H new ATOM 935 N LYS A 61 12.448 14.949 -0.861 1.00 75.42 N ATOM 936 CA LYS A 61 13.876 14.659 -0.821 1.00 15.11 C ATOM 937 C LYS A 61 14.636 15.761 -0.091 1.00 33.31 C ATOM 938 O LYS A 61 14.765 15.731 1.133 1.00 40.32 O ATOM 939 CB LYS A 61 14.425 14.501 -2.241 1.00 52.23 C ATOM 940 CG LYS A 61 14.361 13.076 -2.763 1.00 11.03 C ATOM 941 CD LYS A 61 13.386 12.949 -3.922 1.00 24.54 C ATOM 942 CE LYS A 61 13.638 11.683 -4.726 1.00 43.01 C ATOM 943 NZ LYS A 61 12.415 10.843 -4.835 1.00 74.32 N ATOM 0 H LYS A 61 12.087 15.162 -1.791 1.00 75.42 H new ATOM 0 HA LYS A 61 14.016 13.725 -0.277 1.00 15.11 H new ATOM 0 HB2 LYS A 61 13.864 15.151 -2.913 1.00 52.23 H new ATOM 0 HB3 LYS A 61 15.461 14.840 -2.261 1.00 52.23 H new ATOM 0 HG2 LYS A 61 15.353 12.761 -3.085 1.00 11.03 H new ATOM 0 HG3 LYS A 61 14.060 12.406 -1.958 1.00 11.03 H new ATOM 0 HD2 LYS A 61 12.365 12.942 -3.541 1.00 24.54 H new ATOM 0 HD3 LYS A 61 13.477 13.819 -4.573 1.00 24.54 H new ATOM 0 HE2 LYS A 61 13.985 11.950 -5.724 1.00 43.01 H new ATOM 0 HE3 LYS A 61 14.434 11.106 -4.255 1.00 43.01 H new ATOM 0 HZ1 LYS A 61 12.628 9.990 -5.390 1.00 74.32 H new ATOM 0 HZ2 LYS A 61 12.098 10.567 -3.884 1.00 74.32 H new ATOM 0 HZ3 LYS A 61 11.663 11.384 -5.307 1.00 74.32 H new ATOM 957 N GLU A 62 15.134 16.733 -0.848 1.00 24.30 N ATOM 958 CA GLU A 62 15.879 17.845 -0.272 1.00 64.22 C ATOM 959 C GLU A 62 15.264 19.181 -0.678 1.00 32.44 C ATOM 960 O GLU A 62 14.844 19.361 -1.819 1.00 24.14 O ATOM 961 CB GLU A 62 17.344 17.790 -0.714 1.00 11.33 C ATOM 962 CG GLU A 62 18.221 18.837 -0.046 1.00 1.23 C ATOM 963 CD GLU A 62 18.062 20.211 -0.665 1.00 42.35 C ATOM 964 OE1 GLU A 62 18.194 21.211 0.071 1.00 2.31 O ATOM 965 OE2 GLU A 62 17.805 20.288 -1.885 1.00 54.22 O ATOM 0 H GLU A 62 15.035 16.773 -1.862 1.00 24.30 H new ATOM 0 HA GLU A 62 15.831 17.758 0.813 1.00 64.22 H new ATOM 0 HB2 GLU A 62 17.744 16.800 -0.495 1.00 11.33 H new ATOM 0 HB3 GLU A 62 17.394 17.922 -1.795 1.00 11.33 H new ATOM 0 HG2 GLU A 62 17.974 18.889 1.014 1.00 1.23 H new ATOM 0 HG3 GLU A 62 19.264 18.530 -0.116 1.00 1.23 H new ATOM 973 N SER A 63 15.215 20.113 0.269 1.00 41.44 N ATOM 974 CA SER A 63 14.647 21.432 0.012 1.00 40.50 C ATOM 975 C SER A 63 14.352 22.160 1.320 1.00 13.22 C ATOM 976 O SER A 63 13.976 21.543 2.315 1.00 40.23 O ATOM 977 CB SER A 63 13.366 21.308 -0.815 1.00 71.42 C ATOM 978 OG SER A 63 13.601 21.634 -2.174 1.00 34.32 O ATOM 0 H SER A 63 15.561 19.980 1.219 1.00 41.44 H new ATOM 0 HA SER A 63 15.379 22.012 -0.550 1.00 40.50 H new ATOM 0 HB2 SER A 63 12.981 20.291 -0.743 1.00 71.42 H new ATOM 0 HB3 SER A 63 12.601 21.968 -0.407 1.00 71.42 H new ATOM 0 HG SER A 63 14.137 20.928 -2.592 1.00 34.32 H new ATOM 984 N GLU A 64 14.526 23.479 1.309 1.00 65.11 N ATOM 985 CA GLU A 64 14.281 24.291 2.495 1.00 45.14 C ATOM 986 C GLU A 64 12.952 23.918 3.144 1.00 41.13 C ATOM 987 O GLU A 64 12.921 23.307 4.213 1.00 65.43 O ATOM 988 CB GLU A 64 14.283 25.776 2.130 1.00 11.44 C ATOM 989 CG GLU A 64 15.639 26.444 2.301 1.00 41.33 C ATOM 990 CD GLU A 64 16.471 26.403 1.035 1.00 23.22 C ATOM 991 OE1 GLU A 64 17.610 26.916 1.059 1.00 61.42 O ATOM 992 OE2 GLU A 64 15.986 25.858 0.022 1.00 4.13 O ATOM 0 H GLU A 64 14.835 24.007 0.493 1.00 65.11 H new ATOM 0 HA GLU A 64 15.081 24.098 3.209 1.00 45.14 H new ATOM 0 HB2 GLU A 64 13.961 25.887 1.095 1.00 11.44 H new ATOM 0 HB3 GLU A 64 13.551 26.295 2.749 1.00 11.44 H new ATOM 0 HG2 GLU A 64 15.494 27.481 2.603 1.00 41.33 H new ATOM 0 HG3 GLU A 64 16.184 25.951 3.106 1.00 41.33 H new ATOM 1000 N HIS A 65 11.856 24.289 2.491 1.00 62.45 N ATOM 1001 CA HIS A 65 10.522 23.993 3.006 1.00 64.25 C ATOM 1002 C HIS A 65 10.338 24.572 4.403 1.00 31.23 C ATOM 1003 O HIS A 65 9.957 25.732 4.561 1.00 41.41 O ATOM 1004 CB HIS A 65 10.288 22.482 3.030 1.00 50.45 C ATOM 1005 CG HIS A 65 10.068 21.886 1.674 1.00 23.41 C ATOM 1006 ND1 HIS A 65 10.716 20.749 1.239 1.00 40.25 N ATOM 1007 CD2 HIS A 65 9.267 22.275 0.655 1.00 63.31 C ATOM 1008 CE1 HIS A 65 10.324 20.465 0.009 1.00 14.30 C ATOM 1009 NE2 HIS A 65 9.445 21.376 -0.368 1.00 50.03 N ATOM 0 H HIS A 65 11.864 24.795 1.605 1.00 62.45 H new ATOM 0 HA HIS A 65 9.791 24.456 2.343 1.00 64.25 H new ATOM 0 HB2 HIS A 65 11.146 21.998 3.495 1.00 50.45 H new ATOM 0 HB3 HIS A 65 9.422 22.267 3.657 1.00 50.45 H new ATOM 0 HD2 HIS A 65 8.610 23.132 0.648 1.00 63.31 H new ATOM 0 HE1 HIS A 65 10.664 19.631 -0.586 1.00 14.30 H new ATOM 0 HE2 HIS A 65 8.975 21.407 -1.272 1.00 50.03 H new ATOM 1018 N THR A 66 10.610 23.756 5.418 1.00 4.14 N ATOM 1019 CA THR A 66 10.473 24.187 6.803 1.00 2.32 C ATOM 1020 C THR A 66 9.050 24.649 7.097 1.00 14.23 C ATOM 1021 O THR A 66 8.585 25.647 6.550 1.00 23.30 O ATOM 1022 CB THR A 66 11.451 25.332 7.134 1.00 14.22 C ATOM 1023 OG1 THR A 66 10.879 26.589 6.757 1.00 63.12 O ATOM 1024 CG2 THR A 66 12.777 25.136 6.417 1.00 21.10 C ATOM 0 H THR A 66 10.926 22.793 5.306 1.00 4.14 H new ATOM 0 HA THR A 66 10.709 23.325 7.427 1.00 2.32 H new ATOM 0 HB THR A 66 11.634 25.325 8.209 1.00 14.22 H new ATOM 0 HG1 THR A 66 10.149 26.439 6.121 1.00 63.12 H new ATOM 0 HG21 THR A 66 13.450 25.956 6.666 1.00 21.10 H new ATOM 0 HG22 THR A 66 13.224 24.192 6.730 1.00 21.10 H new ATOM 0 HG23 THR A 66 12.609 25.119 5.340 1.00 21.10 H new ATOM 1032 N GLY A 67 8.362 23.913 7.966 1.00 45.02 N ATOM 1033 CA GLY A 67 6.999 24.263 8.318 1.00 43.04 C ATOM 1034 C GLY A 67 6.303 23.167 9.099 1.00 32.12 C ATOM 1035 O GLY A 67 6.643 21.989 8.996 1.00 64.44 O ATOM 0 H GLY A 67 8.725 23.081 8.432 1.00 45.02 H new ATOM 0 HA2 GLY A 67 7.003 25.179 8.909 1.00 43.04 H new ATOM 0 HA3 GLY A 67 6.435 24.472 7.409 1.00 43.04 H new ATOM 1039 N PRO A 68 5.303 23.554 9.907 1.00 65.32 N ATOM 1040 CA PRO A 68 4.538 22.611 10.726 1.00 33.12 C ATOM 1041 C PRO A 68 3.642 21.708 9.886 1.00 13.51 C ATOM 1042 O PRO A 68 3.078 20.734 10.387 1.00 12.45 O ATOM 1043 CB PRO A 68 3.692 23.521 11.620 1.00 1.44 C ATOM 1044 CG PRO A 68 3.562 24.791 10.851 1.00 43.23 C ATOM 1045 CD PRO A 68 4.844 24.942 10.080 1.00 12.03 C ATOM 0 HA PRO A 68 5.187 21.932 11.279 1.00 33.12 H new ATOM 0 HB2 PRO A 68 2.716 23.080 11.824 1.00 1.44 H new ATOM 0 HB3 PRO A 68 4.174 23.689 12.583 1.00 1.44 H new ATOM 0 HG2 PRO A 68 2.705 24.754 10.179 1.00 43.23 H new ATOM 0 HG3 PRO A 68 3.407 25.638 11.520 1.00 43.23 H new ATOM 0 HD2 PRO A 68 4.681 25.434 9.121 1.00 12.03 H new ATOM 0 HD3 PRO A 68 5.573 25.541 10.626 1.00 12.03 H new ATOM 1053 N GLY A 69 3.512 22.037 8.605 1.00 53.54 N ATOM 1054 CA GLY A 69 2.681 21.245 7.716 1.00 64.44 C ATOM 1055 C GLY A 69 3.375 19.982 7.246 1.00 4.03 C ATOM 1056 O GLY A 69 2.751 18.927 7.138 1.00 42.25 O ATOM 0 H GLY A 69 3.967 22.838 8.166 1.00 53.54 H new ATOM 0 HA2 GLY A 69 1.757 20.979 8.229 1.00 64.44 H new ATOM 0 HA3 GLY A 69 2.403 21.847 6.851 1.00 64.44 H new ATOM 1060 N TRP A 70 4.669 20.089 6.967 1.00 51.31 N ATOM 1061 CA TRP A 70 5.448 18.946 6.505 1.00 60.22 C ATOM 1062 C TRP A 70 5.716 17.973 7.647 1.00 23.32 C ATOM 1063 O TRP A 70 6.045 16.809 7.419 1.00 64.35 O ATOM 1064 CB TRP A 70 6.770 19.416 5.896 1.00 70.33 C ATOM 1065 CG TRP A 70 6.703 19.622 4.414 1.00 3.42 C ATOM 1066 CD1 TRP A 70 6.620 20.816 3.756 1.00 44.24 C ATOM 1067 CD2 TRP A 70 6.709 18.606 3.406 1.00 52.31 C ATOM 1068 NE1 TRP A 70 6.574 20.604 2.399 1.00 64.24 N ATOM 1069 CE2 TRP A 70 6.628 19.257 2.158 1.00 33.01 C ATOM 1070 CE3 TRP A 70 6.777 17.211 3.433 1.00 34.00 C ATOM 1071 CZ2 TRP A 70 6.613 18.557 0.954 1.00 13.20 C ATOM 1072 CZ3 TRP A 70 6.760 16.520 2.238 1.00 71.52 C ATOM 1073 CH2 TRP A 70 6.680 17.191 1.013 1.00 3.23 C ATOM 0 H TRP A 70 5.201 20.955 7.053 1.00 51.31 H new ATOM 0 HA TRP A 70 4.869 18.428 5.741 1.00 60.22 H new ATOM 0 HB2 TRP A 70 7.069 20.350 6.372 1.00 70.33 H new ATOM 0 HB3 TRP A 70 7.545 18.683 6.119 1.00 70.33 H new ATOM 0 HD1 TRP A 70 6.594 21.785 4.232 1.00 44.24 H new ATOM 0 HE1 TRP A 70 6.510 21.332 1.687 1.00 64.24 H new ATOM 0 HE3 TRP A 70 6.842 16.682 4.372 1.00 34.00 H new ATOM 0 HZ2 TRP A 70 6.551 19.073 0.008 1.00 13.20 H new ATOM 0 HZ3 TRP A 70 6.809 15.441 2.249 1.00 71.52 H new ATOM 0 HH2 TRP A 70 6.671 16.620 0.096 1.00 3.23 H new ATOM 1084 N GLU A 71 5.577 18.457 8.877 1.00 62.05 N ATOM 1085 CA GLU A 71 5.804 17.628 10.055 1.00 63.14 C ATOM 1086 C GLU A 71 4.964 16.356 9.997 1.00 5.22 C ATOM 1087 O GLU A 71 5.497 15.249 9.930 1.00 61.24 O ATOM 1088 CB GLU A 71 5.480 18.411 11.329 1.00 44.55 C ATOM 1089 CG GLU A 71 5.320 17.534 12.559 1.00 64.22 C ATOM 1090 CD GLU A 71 6.637 16.946 13.029 1.00 15.21 C ATOM 1091 OE1 GLU A 71 7.633 17.047 12.281 1.00 15.45 O ATOM 1092 OE2 GLU A 71 6.673 16.385 14.143 1.00 52.03 O ATOM 0 H GLU A 71 5.308 19.419 9.084 1.00 62.05 H new ATOM 0 HA GLU A 71 6.857 17.346 10.070 1.00 63.14 H new ATOM 0 HB2 GLU A 71 6.273 19.136 11.511 1.00 44.55 H new ATOM 0 HB3 GLU A 71 4.561 18.976 11.174 1.00 44.55 H new ATOM 0 HG2 GLU A 71 4.880 18.121 13.365 1.00 64.22 H new ATOM 0 HG3 GLU A 71 4.624 16.725 12.337 1.00 64.22 H new ATOM 1100 N SER A 72 3.644 16.524 10.024 1.00 32.45 N ATOM 1101 CA SER A 72 2.730 15.391 9.980 1.00 51.54 C ATOM 1102 C SER A 72 2.917 14.591 8.695 1.00 62.04 C ATOM 1103 O SER A 72 3.020 13.364 8.723 1.00 14.25 O ATOM 1104 CB SER A 72 1.281 15.874 10.086 1.00 63.44 C ATOM 1105 OG SER A 72 0.390 14.784 10.244 1.00 20.42 O ATOM 0 H SER A 72 3.186 17.434 10.076 1.00 32.45 H new ATOM 0 HA SER A 72 2.954 14.742 10.827 1.00 51.54 H new ATOM 0 HB2 SER A 72 1.182 16.554 10.932 1.00 63.44 H new ATOM 0 HB3 SER A 72 1.016 16.438 9.191 1.00 63.44 H new ATOM 0 HG SER A 72 0.237 14.358 9.375 1.00 20.42 H new ATOM 1111 N ALA A 73 2.961 15.294 7.569 1.00 64.23 N ATOM 1112 CA ALA A 73 3.138 14.651 6.272 1.00 32.31 C ATOM 1113 C ALA A 73 4.318 13.684 6.298 1.00 44.44 C ATOM 1114 O ALA A 73 4.264 12.609 5.697 1.00 3.30 O ATOM 1115 CB ALA A 73 3.335 15.697 5.186 1.00 74.44 C ATOM 0 H ALA A 73 2.877 16.310 7.528 1.00 64.23 H new ATOM 0 HA ALA A 73 2.236 14.080 6.050 1.00 32.31 H new ATOM 0 HB1 ALA A 73 3.466 15.202 4.224 1.00 74.44 H new ATOM 0 HB2 ALA A 73 2.461 16.347 5.144 1.00 74.44 H new ATOM 0 HB3 ALA A 73 4.220 16.293 5.411 1.00 74.44 H new ATOM 1121 N ARG A 74 5.380 14.071 6.995 1.00 63.34 N ATOM 1122 CA ARG A 74 6.573 13.238 7.094 1.00 20.21 C ATOM 1123 C ARG A 74 6.303 12.003 7.948 1.00 35.13 C ATOM 1124 O ARG A 74 6.772 10.909 7.638 1.00 74.20 O ATOM 1125 CB ARG A 74 7.732 14.041 7.689 1.00 65.43 C ATOM 1126 CG ARG A 74 8.887 14.250 6.723 1.00 45.23 C ATOM 1127 CD ARG A 74 10.067 14.925 7.404 1.00 71.33 C ATOM 1128 NE ARG A 74 10.692 14.060 8.401 1.00 21.42 N ATOM 1129 CZ ARG A 74 11.598 14.482 9.276 1.00 1.10 C ATOM 1130 NH1 ARG A 74 11.981 15.751 9.278 1.00 31.13 N ATOM 1131 NH2 ARG A 74 12.121 13.634 10.152 1.00 60.20 N ATOM 0 H ARG A 74 5.440 14.955 7.500 1.00 63.34 H new ATOM 0 HA ARG A 74 6.844 12.912 6.090 1.00 20.21 H new ATOM 0 HB2 ARG A 74 7.361 15.013 8.014 1.00 65.43 H new ATOM 0 HB3 ARG A 74 8.100 13.528 8.577 1.00 65.43 H new ATOM 0 HG2 ARG A 74 9.201 13.289 6.316 1.00 45.23 H new ATOM 0 HG3 ARG A 74 8.554 14.858 5.882 1.00 45.23 H new ATOM 0 HD2 ARG A 74 10.806 15.206 6.654 1.00 71.33 H new ATOM 0 HD3 ARG A 74 9.732 15.845 7.882 1.00 71.33 H new ATOM 0 HE ARG A 74 10.418 13.078 8.427 1.00 21.42 H new ATOM 0 HH11 ARG A 74 11.580 16.406 8.607 1.00 31.13 H new ATOM 0 HH12 ARG A 74 12.677 16.073 9.951 1.00 31.13 H new ATOM 0 HH21 ARG A 74 11.827 12.657 10.154 1.00 60.20 H new ATOM 0 HH22 ARG A 74 12.817 13.959 10.824 1.00 60.20 H new ATOM 1145 N GLN A 75 5.547 12.190 9.026 1.00 64.15 N ATOM 1146 CA GLN A 75 5.216 11.090 9.925 1.00 62.33 C ATOM 1147 C GLN A 75 4.300 10.083 9.240 1.00 41.32 C ATOM 1148 O GLN A 75 4.342 8.889 9.534 1.00 33.02 O ATOM 1149 CB GLN A 75 4.550 11.624 11.194 1.00 52.14 C ATOM 1150 CG GLN A 75 5.537 12.027 12.277 1.00 65.14 C ATOM 1151 CD GLN A 75 6.458 13.148 11.839 1.00 43.12 C ATOM 1152 OE1 GLN A 75 6.310 14.292 12.269 1.00 21.44 O ATOM 1153 NE2 GLN A 75 7.416 12.825 10.979 1.00 21.33 N ATOM 0 H GLN A 75 5.153 13.091 9.297 1.00 64.15 H new ATOM 0 HA GLN A 75 6.143 10.584 10.195 1.00 62.33 H new ATOM 0 HB2 GLN A 75 3.935 12.486 10.936 1.00 52.14 H new ATOM 0 HB3 GLN A 75 3.880 10.861 11.591 1.00 52.14 H new ATOM 0 HG2 GLN A 75 4.988 12.339 13.166 1.00 65.14 H new ATOM 0 HG3 GLN A 75 6.135 11.160 12.559 1.00 65.14 H new ATOM 0 HE21 GLN A 75 7.502 11.864 10.649 1.00 21.33 H new ATOM 0 HE22 GLN A 75 8.066 13.538 10.648 1.00 21.33 H new ATOM 1162 N MET A 76 3.470 10.573 8.324 1.00 72.42 N ATOM 1163 CA MET A 76 2.542 9.713 7.596 1.00 21.21 C ATOM 1164 C MET A 76 3.283 8.855 6.576 1.00 24.40 C ATOM 1165 O MET A 76 3.149 7.632 6.567 1.00 30.41 O ATOM 1166 CB MET A 76 1.477 10.558 6.893 1.00 25.14 C ATOM 1167 CG MET A 76 0.430 11.124 7.837 1.00 2.04 C ATOM 1168 SD MET A 76 0.340 12.923 7.775 1.00 21.13 S ATOM 1169 CE MET A 76 -1.064 13.157 6.688 1.00 71.31 C ATOM 0 H MET A 76 3.421 11.559 8.068 1.00 72.42 H new ATOM 0 HA MET A 76 2.056 9.053 8.314 1.00 21.21 H new ATOM 0 HB2 MET A 76 1.965 11.380 6.369 1.00 25.14 H new ATOM 0 HB3 MET A 76 0.981 9.948 6.138 1.00 25.14 H new ATOM 0 HG2 MET A 76 -0.545 10.706 7.585 1.00 2.04 H new ATOM 0 HG3 MET A 76 0.657 10.810 8.856 1.00 2.04 H new ATOM 0 HE1 MET A 76 -1.245 14.223 6.552 1.00 71.31 H new ATOM 0 HE2 MET A 76 -0.856 12.698 5.721 1.00 71.31 H new ATOM 0 HE3 MET A 76 -1.946 12.692 7.128 1.00 71.31 H new ATOM 1179 N GLN A 77 4.064 9.503 5.717 1.00 11.24 N ATOM 1180 CA GLN A 77 4.825 8.799 4.693 1.00 71.12 C ATOM 1181 C GLN A 77 5.520 7.574 5.278 1.00 30.21 C ATOM 1182 O GLN A 77 5.629 6.538 4.623 1.00 4.41 O ATOM 1183 CB GLN A 77 5.857 9.732 4.061 1.00 3.14 C ATOM 1184 CG GLN A 77 5.691 9.894 2.557 1.00 32.35 C ATOM 1185 CD GLN A 77 6.953 10.392 1.883 1.00 2.54 C ATOM 1186 OE1 GLN A 77 7.985 10.577 2.526 1.00 35.33 O ATOM 1187 NE2 GLN A 77 6.878 10.615 0.575 1.00 60.15 N ATOM 0 H GLN A 77 4.186 10.516 5.711 1.00 11.24 H new ATOM 0 HA GLN A 77 4.128 8.467 3.923 1.00 71.12 H new ATOM 0 HB2 GLN A 77 5.786 10.712 4.534 1.00 3.14 H new ATOM 0 HB3 GLN A 77 6.856 9.349 4.269 1.00 3.14 H new ATOM 0 HG2 GLN A 77 5.404 8.937 2.121 1.00 32.35 H new ATOM 0 HG3 GLN A 77 4.877 10.591 2.358 1.00 32.35 H new ATOM 0 HE21 GLN A 77 6.003 10.449 0.079 1.00 60.15 H new ATOM 0 HE22 GLN A 77 7.696 10.952 0.067 1.00 60.15 H new ATOM 1196 N GLN A 78 5.989 7.701 6.515 1.00 73.12 N ATOM 1197 CA GLN A 78 6.675 6.605 7.189 1.00 23.33 C ATOM 1198 C GLN A 78 5.690 5.515 7.599 1.00 5.12 C ATOM 1199 O GLN A 78 5.986 4.324 7.495 1.00 33.13 O ATOM 1200 CB GLN A 78 7.425 7.120 8.418 1.00 14.33 C ATOM 1201 CG GLN A 78 8.768 6.445 8.639 1.00 15.13 C ATOM 1202 CD GLN A 78 9.446 6.901 9.918 1.00 44.41 C ATOM 1203 OE1 GLN A 78 8.896 6.758 11.010 1.00 51.11 O ATOM 1204 NE2 GLN A 78 10.647 7.452 9.789 1.00 44.43 N ATOM 0 H GLN A 78 5.906 8.552 7.071 1.00 73.12 H new ATOM 0 HA GLN A 78 7.392 6.176 6.489 1.00 23.33 H new ATOM 0 HB2 GLN A 78 7.580 8.194 8.315 1.00 14.33 H new ATOM 0 HB3 GLN A 78 6.804 6.971 9.301 1.00 14.33 H new ATOM 0 HG2 GLN A 78 8.627 5.365 8.672 1.00 15.13 H new ATOM 0 HG3 GLN A 78 9.420 6.655 7.791 1.00 15.13 H new ATOM 0 HE21 GLN A 78 11.066 7.551 8.864 1.00 44.43 H new ATOM 0 HE22 GLN A 78 11.151 7.776 10.615 1.00 44.43 H new ATOM 1213 N LYS A 79 4.518 5.930 8.063 1.00 54.42 N ATOM 1214 CA LYS A 79 3.486 4.991 8.490 1.00 51.21 C ATOM 1215 C LYS A 79 3.160 4.000 7.377 1.00 72.20 C ATOM 1216 O LYS A 79 3.283 2.788 7.557 1.00 12.02 O ATOM 1217 CB LYS A 79 2.220 5.745 8.903 1.00 42.03 C ATOM 1218 CG LYS A 79 1.393 5.017 9.949 1.00 22.24 C ATOM 1219 CD LYS A 79 1.005 5.940 11.092 1.00 54.14 C ATOM 1220 CE LYS A 79 -0.008 5.284 12.018 1.00 22.14 C ATOM 1221 NZ LYS A 79 0.561 5.027 13.369 1.00 21.25 N ATOM 0 H LYS A 79 4.257 6.912 8.154 1.00 54.42 H new ATOM 0 HA LYS A 79 3.866 4.436 9.348 1.00 51.21 H new ATOM 0 HB2 LYS A 79 2.501 6.724 9.291 1.00 42.03 H new ATOM 0 HB3 LYS A 79 1.605 5.916 8.020 1.00 42.03 H new ATOM 0 HG2 LYS A 79 0.493 4.611 9.486 1.00 22.24 H new ATOM 0 HG3 LYS A 79 1.960 4.171 10.339 1.00 22.24 H new ATOM 0 HD2 LYS A 79 1.895 6.213 11.659 1.00 54.14 H new ATOM 0 HD3 LYS A 79 0.588 6.863 10.690 1.00 54.14 H new ATOM 0 HE2 LYS A 79 -0.885 5.925 12.109 1.00 22.14 H new ATOM 0 HE3 LYS A 79 -0.344 4.344 11.581 1.00 22.14 H new ATOM 0 HZ1 LYS A 79 -0.160 4.579 13.970 1.00 21.25 H new ATOM 0 HZ2 LYS A 79 1.383 4.395 13.285 1.00 21.25 H new ATOM 0 HZ3 LYS A 79 0.859 5.927 13.797 1.00 21.25 H new ATOM 1235 N MET A 80 2.747 4.522 6.227 1.00 2.34 N ATOM 1236 CA MET A 80 2.407 3.682 5.085 1.00 40.40 C ATOM 1237 C MET A 80 3.521 2.682 4.794 1.00 12.45 C ATOM 1238 O MET A 80 3.283 1.478 4.708 1.00 71.21 O ATOM 1239 CB MET A 80 2.145 4.546 3.850 1.00 23.42 C ATOM 1240 CG MET A 80 1.041 5.571 4.047 1.00 53.22 C ATOM 1241 SD MET A 80 1.674 7.252 4.203 1.00 0.44 S ATOM 1242 CE MET A 80 1.521 7.829 2.515 1.00 41.14 C ATOM 0 H MET A 80 2.640 5.523 6.061 1.00 2.34 H new ATOM 0 HA MET A 80 1.501 3.127 5.330 1.00 40.40 H new ATOM 0 HB2 MET A 80 3.065 5.063 3.577 1.00 23.42 H new ATOM 0 HB3 MET A 80 1.883 3.899 3.013 1.00 23.42 H new ATOM 0 HG2 MET A 80 0.352 5.523 3.204 1.00 53.22 H new ATOM 0 HG3 MET A 80 0.470 5.317 4.940 1.00 53.22 H new ATOM 0 HE1 MET A 80 2.092 8.749 2.392 1.00 41.14 H new ATOM 0 HE2 MET A 80 1.905 7.069 1.835 1.00 41.14 H new ATOM 0 HE3 MET A 80 0.472 8.021 2.290 1.00 41.14 H new ATOM 1252 N LYS A 81 4.741 3.189 4.643 1.00 10.45 N ATOM 1253 CA LYS A 81 5.893 2.342 4.363 1.00 34.34 C ATOM 1254 C LYS A 81 5.931 1.145 5.309 1.00 44.22 C ATOM 1255 O LYS A 81 6.466 0.090 4.967 1.00 44.43 O ATOM 1256 CB LYS A 81 7.188 3.148 4.492 1.00 34.11 C ATOM 1257 CG LYS A 81 7.960 3.269 3.189 1.00 22.10 C ATOM 1258 CD LYS A 81 9.397 3.700 3.432 1.00 24.23 C ATOM 1259 CE LYS A 81 10.362 2.965 2.515 1.00 64.03 C ATOM 1260 NZ LYS A 81 11.513 3.822 2.118 1.00 62.21 N ATOM 0 H LYS A 81 4.956 4.184 4.710 1.00 10.45 H new ATOM 0 HA LYS A 81 5.802 1.973 3.341 1.00 34.34 H new ATOM 0 HB2 LYS A 81 6.950 4.147 4.858 1.00 34.11 H new ATOM 0 HB3 LYS A 81 7.826 2.678 5.241 1.00 34.11 H new ATOM 0 HG2 LYS A 81 7.949 2.312 2.668 1.00 22.10 H new ATOM 0 HG3 LYS A 81 7.467 3.992 2.538 1.00 22.10 H new ATOM 0 HD2 LYS A 81 9.488 4.774 3.272 1.00 24.23 H new ATOM 0 HD3 LYS A 81 9.664 3.509 4.471 1.00 24.23 H new ATOM 0 HE2 LYS A 81 10.731 2.071 3.018 1.00 64.03 H new ATOM 0 HE3 LYS A 81 9.832 2.632 1.622 1.00 64.03 H new ATOM 0 HZ1 LYS A 81 12.147 3.284 1.493 1.00 62.21 H new ATOM 0 HZ2 LYS A 81 11.163 4.662 1.615 1.00 62.21 H new ATOM 0 HZ3 LYS A 81 12.034 4.119 2.968 1.00 62.21 H new ATOM 1274 N GLU A 82 5.359 1.317 6.496 1.00 35.31 N ATOM 1275 CA GLU A 82 5.327 0.248 7.489 1.00 21.24 C ATOM 1276 C GLU A 82 4.074 -0.607 7.328 1.00 3.22 C ATOM 1277 O GLU A 82 4.140 -1.837 7.366 1.00 54.43 O ATOM 1278 CB GLU A 82 5.380 0.835 8.902 1.00 65.23 C ATOM 1279 CG GLU A 82 6.789 0.943 9.463 1.00 55.03 C ATOM 1280 CD GLU A 82 7.139 -0.208 10.385 1.00 33.40 C ATOM 1281 OE1 GLU A 82 7.345 -1.331 9.880 1.00 73.40 O ATOM 1282 OE2 GLU A 82 7.205 0.014 11.613 1.00 74.34 O ATOM 0 H GLU A 82 4.912 2.184 6.794 1.00 35.31 H new ATOM 0 HA GLU A 82 6.200 -0.386 7.333 1.00 21.24 H new ATOM 0 HB2 GLU A 82 4.925 1.825 8.892 1.00 65.23 H new ATOM 0 HB3 GLU A 82 4.779 0.214 9.567 1.00 65.23 H new ATOM 0 HG2 GLU A 82 7.503 0.974 8.640 1.00 55.03 H new ATOM 0 HG3 GLU A 82 6.889 1.882 10.007 1.00 55.03 H new ATOM 1290 N THR A 83 2.934 0.052 7.149 1.00 51.24 N ATOM 1291 CA THR A 83 1.666 -0.647 6.984 1.00 25.12 C ATOM 1292 C THR A 83 1.632 -1.423 5.673 1.00 50.35 C ATOM 1293 O THR A 83 0.807 -2.321 5.492 1.00 44.11 O ATOM 1294 CB THR A 83 0.476 0.331 7.019 1.00 20.13 C ATOM 1295 OG1 THR A 83 -0.403 -0.005 8.098 1.00 53.31 O ATOM 1296 CG2 THR A 83 -0.290 0.299 5.705 1.00 2.23 C ATOM 0 H THR A 83 2.863 1.069 7.115 1.00 51.24 H new ATOM 0 HA THR A 83 1.579 -1.344 7.818 1.00 25.12 H new ATOM 0 HB THR A 83 0.866 1.338 7.169 1.00 20.13 H new ATOM 0 HG1 THR A 83 -0.917 0.787 8.360 1.00 53.31 H new ATOM 0 HG21 THR A 83 -1.125 0.997 5.754 1.00 2.23 H new ATOM 0 HG22 THR A 83 0.374 0.584 4.889 1.00 2.23 H new ATOM 0 HG23 THR A 83 -0.669 -0.708 5.529 1.00 2.23 H new ATOM 1304 N LEU A 84 2.532 -1.075 4.761 1.00 1.33 N ATOM 1305 CA LEU A 84 2.606 -1.739 3.465 1.00 64.24 C ATOM 1306 C LEU A 84 3.167 -3.150 3.608 1.00 0.24 C ATOM 1307 O LEU A 84 2.461 -4.134 3.391 1.00 54.31 O ATOM 1308 CB LEU A 84 3.475 -0.928 2.501 1.00 12.04 C ATOM 1309 CG LEU A 84 2.927 -0.757 1.084 1.00 63.43 C ATOM 1310 CD1 LEU A 84 3.962 -0.096 0.188 1.00 42.45 C ATOM 1311 CD2 LEU A 84 2.503 -2.103 0.511 1.00 20.03 C ATOM 0 H LEU A 84 3.222 -0.336 4.895 1.00 1.33 H new ATOM 0 HA LEU A 84 1.595 -1.808 3.062 1.00 64.24 H new ATOM 0 HB2 LEU A 84 3.632 0.062 2.930 1.00 12.04 H new ATOM 0 HB3 LEU A 84 4.453 -1.406 2.436 1.00 12.04 H new ATOM 0 HG LEU A 84 2.050 -0.111 1.129 1.00 63.43 H new ATOM 0 HD11 LEU A 84 3.554 0.018 -0.816 1.00 42.45 H new ATOM 0 HD12 LEU A 84 4.217 0.885 0.589 1.00 42.45 H new ATOM 0 HD13 LEU A 84 4.858 -0.716 0.148 1.00 42.45 H new ATOM 0 HD21 LEU A 84 2.115 -1.963 -0.498 1.00 20.03 H new ATOM 0 HD22 LEU A 84 3.363 -2.772 0.480 1.00 20.03 H new ATOM 0 HD23 LEU A 84 1.727 -2.538 1.141 1.00 20.03 H new ATOM 1323 N GLN A 85 4.441 -3.241 3.976 1.00 32.14 N ATOM 1324 CA GLN A 85 5.097 -4.532 4.150 1.00 10.42 C ATOM 1325 C GLN A 85 4.230 -5.476 4.977 1.00 11.41 C ATOM 1326 O GLN A 85 4.295 -6.692 4.819 1.00 32.32 O ATOM 1327 CB GLN A 85 6.458 -4.350 4.823 1.00 25.23 C ATOM 1328 CG GLN A 85 6.368 -3.826 6.247 1.00 73.42 C ATOM 1329 CD GLN A 85 7.216 -4.626 7.217 1.00 62.13 C ATOM 1330 OE1 GLN A 85 7.119 -5.851 7.280 1.00 65.14 O ATOM 1331 NE2 GLN A 85 8.055 -3.935 7.979 1.00 15.23 N ATOM 0 H GLN A 85 5.040 -2.436 4.160 1.00 32.14 H new ATOM 0 HA GLN A 85 5.243 -4.972 3.164 1.00 10.42 H new ATOM 0 HB2 GLN A 85 6.982 -5.306 4.829 1.00 25.23 H new ATOM 0 HB3 GLN A 85 7.059 -3.661 4.229 1.00 25.23 H new ATOM 0 HG2 GLN A 85 6.685 -2.783 6.267 1.00 73.42 H new ATOM 0 HG3 GLN A 85 5.328 -3.850 6.574 1.00 73.42 H new ATOM 0 HE21 GLN A 85 8.103 -2.920 7.894 1.00 15.23 H new ATOM 0 HE22 GLN A 85 8.652 -4.419 8.650 1.00 15.23 H new ATOM 1340 N ASN A 86 3.417 -4.902 5.859 1.00 74.34 N ATOM 1341 CA ASN A 86 2.536 -5.694 6.713 1.00 30.24 C ATOM 1342 C ASN A 86 1.326 -6.192 5.932 1.00 60.10 C ATOM 1343 O ASN A 86 0.813 -7.282 6.187 1.00 15.02 O ATOM 1344 CB ASN A 86 2.077 -4.864 7.914 1.00 12.22 C ATOM 1345 CG ASN A 86 2.898 -5.144 9.159 1.00 61.35 C ATOM 1346 OD1 ASN A 86 2.572 -6.035 9.942 1.00 21.43 O ATOM 1347 ND2 ASN A 86 3.969 -4.381 9.344 1.00 52.41 N ATOM 0 H ASN A 86 3.350 -3.894 6.001 1.00 74.34 H new ATOM 0 HA ASN A 86 3.096 -6.559 7.070 1.00 30.24 H new ATOM 0 HB2 ASN A 86 2.146 -3.804 7.667 1.00 12.22 H new ATOM 0 HB3 ASN A 86 1.028 -5.076 8.119 1.00 12.22 H new ATOM 0 HD21 ASN A 86 4.560 -4.522 10.163 1.00 52.41 H new ATOM 0 HD22 ASN A 86 4.200 -3.654 8.667 1.00 52.41 H new ATOM 1354 N VAL A 87 0.872 -5.388 4.976 1.00 4.44 N ATOM 1355 CA VAL A 87 -0.278 -5.747 4.155 1.00 11.34 C ATOM 1356 C VAL A 87 0.132 -6.657 3.003 1.00 62.24 C ATOM 1357 O VAL A 87 -0.415 -7.747 2.834 1.00 31.42 O ATOM 1358 CB VAL A 87 -0.974 -4.497 3.585 1.00 65.41 C ATOM 1359 CG1 VAL A 87 -1.644 -4.817 2.258 1.00 33.43 C ATOM 1360 CG2 VAL A 87 -1.982 -3.947 4.582 1.00 70.13 C ATOM 0 H VAL A 87 1.284 -4.482 4.751 1.00 4.44 H new ATOM 0 HA VAL A 87 -0.976 -6.278 4.803 1.00 11.34 H new ATOM 0 HB VAL A 87 -0.219 -3.731 3.408 1.00 65.41 H new ATOM 0 HG11 VAL A 87 -2.130 -3.922 1.871 1.00 33.43 H new ATOM 0 HG12 VAL A 87 -0.894 -5.160 1.545 1.00 33.43 H new ATOM 0 HG13 VAL A 87 -2.388 -5.599 2.406 1.00 33.43 H new ATOM 0 HG21 VAL A 87 -2.464 -3.064 4.162 1.00 70.13 H new ATOM 0 HG22 VAL A 87 -2.735 -4.706 4.794 1.00 70.13 H new ATOM 0 HG23 VAL A 87 -1.470 -3.677 5.505 1.00 70.13 H new ATOM 1370 N ARG A 88 1.099 -6.201 2.212 1.00 71.11 N ATOM 1371 CA ARG A 88 1.583 -6.974 1.075 1.00 54.13 C ATOM 1372 C ARG A 88 1.642 -8.461 1.413 1.00 33.52 C ATOM 1373 O ARG A 88 1.290 -9.310 0.595 1.00 71.53 O ATOM 1374 CB ARG A 88 2.966 -6.482 0.647 1.00 15.25 C ATOM 1375 CG ARG A 88 2.925 -5.269 -0.269 1.00 71.43 C ATOM 1376 CD ARG A 88 4.286 -4.596 -0.365 1.00 72.35 C ATOM 1377 NE ARG A 88 5.332 -5.535 -0.759 1.00 24.52 N ATOM 1378 CZ ARG A 88 6.479 -5.165 -1.319 1.00 14.32 C ATOM 1379 NH1 ARG A 88 6.724 -3.882 -1.549 1.00 32.34 N ATOM 1380 NH2 ARG A 88 7.384 -6.077 -1.649 1.00 71.44 N ATOM 0 H ARG A 88 1.562 -5.301 2.338 1.00 71.11 H new ATOM 0 HA ARG A 88 0.884 -6.834 0.250 1.00 54.13 H new ATOM 0 HB2 ARG A 88 3.546 -6.236 1.536 1.00 15.25 H new ATOM 0 HB3 ARG A 88 3.490 -7.292 0.140 1.00 15.25 H new ATOM 0 HG2 ARG A 88 2.598 -5.573 -1.263 1.00 71.43 H new ATOM 0 HG3 ARG A 88 2.190 -4.555 0.104 1.00 71.43 H new ATOM 0 HD2 ARG A 88 4.238 -3.782 -1.088 1.00 72.35 H new ATOM 0 HD3 ARG A 88 4.540 -4.153 0.598 1.00 72.35 H new ATOM 0 HE ARG A 88 5.174 -6.529 -0.596 1.00 24.52 H new ATOM 0 HH11 ARG A 88 6.031 -3.177 -1.296 1.00 32.34 H new ATOM 0 HH12 ARG A 88 7.605 -3.600 -1.979 1.00 32.34 H new ATOM 0 HH21 ARG A 88 7.200 -7.065 -1.473 1.00 71.44 H new ATOM 0 HH22 ARG A 88 8.264 -5.790 -2.079 1.00 71.44 H new ATOM 1394 N THR A 89 2.091 -8.768 2.626 1.00 71.21 N ATOM 1395 CA THR A 89 2.200 -10.152 3.073 1.00 40.23 C ATOM 1396 C THR A 89 0.825 -10.795 3.209 1.00 54.40 C ATOM 1397 O THR A 89 0.606 -11.919 2.758 1.00 60.24 O ATOM 1398 CB THR A 89 2.935 -10.250 4.421 1.00 72.51 C ATOM 1399 OG1 THR A 89 4.265 -10.744 4.220 1.00 13.11 O ATOM 1400 CG2 THR A 89 2.189 -11.166 5.380 1.00 32.20 C ATOM 0 H THR A 89 2.385 -8.077 3.317 1.00 71.21 H new ATOM 0 HA THR A 89 2.774 -10.685 2.315 1.00 40.23 H new ATOM 0 HB THR A 89 2.980 -9.252 4.857 1.00 72.51 H new ATOM 0 HG1 THR A 89 4.726 -10.802 5.083 1.00 13.11 H new ATOM 0 HG21 THR A 89 2.728 -11.219 6.326 1.00 32.20 H new ATOM 0 HG22 THR A 89 1.188 -10.772 5.555 1.00 32.20 H new ATOM 0 HG23 THR A 89 2.116 -12.164 4.947 1.00 32.20 H new ATOM 1408 N ARG A 90 -0.102 -10.074 3.832 1.00 71.23 N ATOM 1409 CA ARG A 90 -1.457 -10.575 4.027 1.00 15.42 C ATOM 1410 C ARG A 90 -2.107 -10.922 2.691 1.00 13.10 C ATOM 1411 O ARG A 90 -2.550 -12.051 2.479 1.00 54.42 O ATOM 1412 CB ARG A 90 -2.305 -9.537 4.765 1.00 72.14 C ATOM 1413 CG ARG A 90 -1.797 -9.214 6.160 1.00 62.40 C ATOM 1414 CD ARG A 90 -1.773 -10.452 7.045 1.00 10.52 C ATOM 1415 NE ARG A 90 -3.056 -11.150 7.042 1.00 60.21 N ATOM 1416 CZ ARG A 90 -4.158 -10.667 7.605 1.00 12.34 C ATOM 1417 NH1 ARG A 90 -4.134 -9.488 8.213 1.00 23.01 N ATOM 1418 NH2 ARG A 90 -5.287 -11.362 7.561 1.00 52.02 N ATOM 0 H ARG A 90 0.061 -9.141 4.210 1.00 71.23 H new ATOM 0 HA ARG A 90 -1.399 -11.482 4.629 1.00 15.42 H new ATOM 0 HB2 ARG A 90 -2.334 -8.620 4.177 1.00 72.14 H new ATOM 0 HB3 ARG A 90 -3.330 -9.902 4.836 1.00 72.14 H new ATOM 0 HG2 ARG A 90 -0.794 -8.793 6.095 1.00 62.40 H new ATOM 0 HG3 ARG A 90 -2.433 -8.454 6.613 1.00 62.40 H new ATOM 0 HD2 ARG A 90 -0.991 -11.129 6.701 1.00 10.52 H new ATOM 0 HD3 ARG A 90 -1.519 -10.164 8.065 1.00 10.52 H new ATOM 0 HE ARG A 90 -3.109 -12.059 6.582 1.00 60.21 H new ATOM 0 HH11 ARG A 90 -3.268 -8.950 8.249 1.00 23.01 H new ATOM 0 HH12 ARG A 90 -4.982 -9.119 8.644 1.00 23.01 H new ATOM 0 HH21 ARG A 90 -5.310 -12.269 7.094 1.00 52.02 H new ATOM 0 HH22 ARG A 90 -6.132 -10.990 7.994 1.00 52.02 H new ATOM 1432 N LEU A 91 -2.158 -9.944 1.793 1.00 62.13 N ATOM 1433 CA LEU A 91 -2.754 -10.146 0.477 1.00 21.31 C ATOM 1434 C LEU A 91 -2.182 -11.389 -0.196 1.00 21.51 C ATOM 1435 O LEU A 91 -2.863 -12.058 -0.971 1.00 43.03 O ATOM 1436 CB LEU A 91 -2.516 -8.919 -0.405 1.00 64.43 C ATOM 1437 CG LEU A 91 -3.100 -8.985 -1.817 1.00 51.33 C ATOM 1438 CD1 LEU A 91 -4.621 -8.962 -1.766 1.00 63.10 C ATOM 1439 CD2 LEU A 91 -2.577 -7.835 -2.665 1.00 71.41 C ATOM 0 H LEU A 91 -1.794 -9.004 1.952 1.00 62.13 H new ATOM 0 HA LEU A 91 -3.826 -10.289 0.609 1.00 21.31 H new ATOM 0 HB2 LEU A 91 -2.933 -8.047 0.099 1.00 64.43 H new ATOM 0 HB3 LEU A 91 -1.441 -8.757 -0.485 1.00 64.43 H new ATOM 0 HG LEU A 91 -2.785 -9.922 -2.277 1.00 51.33 H new ATOM 0 HD11 LEU A 91 -5.020 -9.010 -2.779 1.00 63.10 H new ATOM 0 HD12 LEU A 91 -4.979 -9.818 -1.195 1.00 63.10 H new ATOM 0 HD13 LEU A 91 -4.955 -8.041 -1.288 1.00 63.10 H new ATOM 0 HD21 LEU A 91 -3.003 -7.898 -3.666 1.00 71.41 H new ATOM 0 HD22 LEU A 91 -2.862 -6.887 -2.208 1.00 71.41 H new ATOM 0 HD23 LEU A 91 -1.490 -7.895 -2.729 1.00 71.41 H new ATOM 1451 N GLU A 92 -0.924 -11.695 0.109 1.00 3.13 N ATOM 1452 CA GLU A 92 -0.260 -12.858 -0.465 1.00 33.41 C ATOM 1453 C GLU A 92 -0.833 -14.151 0.110 1.00 74.32 C ATOM 1454 O GLU A 92 -1.510 -14.907 -0.588 1.00 22.22 O ATOM 1455 CB GLU A 92 1.246 -12.795 -0.203 1.00 21.33 C ATOM 1456 CG GLU A 92 2.066 -12.471 -1.441 1.00 23.52 C ATOM 1457 CD GLU A 92 3.134 -13.510 -1.722 1.00 2.34 C ATOM 1458 OE1 GLU A 92 4.130 -13.168 -2.394 1.00 31.12 O ATOM 1459 OE2 GLU A 92 2.973 -14.663 -1.273 1.00 31.24 O ATOM 0 H GLU A 92 -0.345 -11.153 0.751 1.00 3.13 H new ATOM 0 HA GLU A 92 -0.435 -12.849 -1.541 1.00 33.41 H new ATOM 0 HB2 GLU A 92 1.442 -12.042 0.560 1.00 21.33 H new ATOM 0 HB3 GLU A 92 1.576 -13.752 0.201 1.00 21.33 H new ATOM 0 HG2 GLU A 92 1.402 -12.396 -2.302 1.00 23.52 H new ATOM 0 HG3 GLU A 92 2.537 -11.496 -1.315 1.00 23.52 H new ATOM 1467 N ILE A 93 -0.557 -14.397 1.387 1.00 42.34 N ATOM 1468 CA ILE A 93 -1.045 -15.596 2.055 1.00 73.12 C ATOM 1469 C ILE A 93 -2.541 -15.786 1.821 1.00 45.21 C ATOM 1470 O ILE A 93 -3.040 -16.913 1.803 1.00 31.12 O ATOM 1471 CB ILE A 93 -0.778 -15.544 3.571 1.00 61.31 C ATOM 1472 CG1 ILE A 93 0.713 -15.745 3.854 1.00 41.42 C ATOM 1473 CG2 ILE A 93 -1.605 -16.598 4.293 1.00 64.24 C ATOM 1474 CD1 ILE A 93 1.254 -14.820 4.921 1.00 72.31 C ATOM 0 H ILE A 93 0.002 -13.782 1.979 1.00 42.34 H new ATOM 0 HA ILE A 93 -0.502 -16.439 1.627 1.00 73.12 H new ATOM 0 HB ILE A 93 -1.072 -14.563 3.943 1.00 61.31 H new ATOM 0 HG12 ILE A 93 0.881 -16.778 4.160 1.00 41.42 H new ATOM 0 HG13 ILE A 93 1.274 -15.591 2.932 1.00 41.42 H new ATOM 0 HG21 ILE A 93 -1.404 -16.548 5.363 1.00 64.24 H new ATOM 0 HG22 ILE A 93 -2.664 -16.415 4.113 1.00 64.24 H new ATOM 0 HG23 ILE A 93 -1.339 -17.587 3.920 1.00 64.24 H new ATOM 0 HD11 ILE A 93 2.316 -15.018 5.070 1.00 72.31 H new ATOM 0 HD12 ILE A 93 1.118 -13.785 4.608 1.00 72.31 H new ATOM 0 HD13 ILE A 93 0.719 -14.990 5.855 1.00 72.31 H new ATOM 1486 N LEU A 94 -3.251 -14.678 1.641 1.00 62.24 N ATOM 1487 CA LEU A 94 -4.690 -14.722 1.405 1.00 14.03 C ATOM 1488 C LEU A 94 -5.010 -15.485 0.124 1.00 72.51 C ATOM 1489 O LEU A 94 -5.661 -16.528 0.159 1.00 70.42 O ATOM 1490 CB LEU A 94 -5.257 -13.303 1.322 1.00 22.43 C ATOM 1491 CG LEU A 94 -6.060 -12.828 2.533 1.00 2.14 C ATOM 1492 CD1 LEU A 94 -5.804 -11.353 2.799 1.00 60.52 C ATOM 1493 CD2 LEU A 94 -7.545 -13.084 2.320 1.00 42.12 C ATOM 0 H LEU A 94 -2.854 -13.738 1.654 1.00 62.24 H new ATOM 0 HA LEU A 94 -5.154 -15.244 2.242 1.00 14.03 H new ATOM 0 HB2 LEU A 94 -4.429 -12.611 1.166 1.00 22.43 H new ATOM 0 HB3 LEU A 94 -5.895 -13.240 0.441 1.00 22.43 H new ATOM 0 HG LEU A 94 -5.735 -13.394 3.406 1.00 2.14 H new ATOM 0 HD11 LEU A 94 -6.384 -11.033 3.665 1.00 60.52 H new ATOM 0 HD12 LEU A 94 -4.743 -11.198 2.996 1.00 60.52 H new ATOM 0 HD13 LEU A 94 -6.101 -10.769 1.928 1.00 60.52 H new ATOM 0 HD21 LEU A 94 -8.102 -12.740 3.191 1.00 42.12 H new ATOM 0 HD22 LEU A 94 -7.884 -12.544 1.436 1.00 42.12 H new ATOM 0 HD23 LEU A 94 -7.714 -14.152 2.180 1.00 42.12 H new ATOM 1505 N GLU A 95 -4.544 -14.958 -1.004 1.00 61.03 N ATOM 1506 CA GLU A 95 -4.780 -15.592 -2.297 1.00 35.21 C ATOM 1507 C GLU A 95 -4.441 -17.079 -2.243 1.00 64.51 C ATOM 1508 O GLU A 95 -5.263 -17.929 -2.587 1.00 21.03 O ATOM 1509 CB GLU A 95 -3.950 -14.907 -3.384 1.00 64.32 C ATOM 1510 CG GLU A 95 -4.300 -13.443 -3.585 1.00 71.51 C ATOM 1511 CD GLU A 95 -3.097 -12.603 -3.965 1.00 23.45 C ATOM 1512 OE1 GLU A 95 -3.240 -11.364 -4.043 1.00 65.22 O ATOM 1513 OE2 GLU A 95 -2.012 -13.182 -4.184 1.00 43.25 O ATOM 0 H GLU A 95 -4.002 -14.095 -1.049 1.00 61.03 H new ATOM 0 HA GLU A 95 -5.838 -15.487 -2.538 1.00 35.21 H new ATOM 0 HB2 GLU A 95 -2.894 -14.987 -3.127 1.00 64.32 H new ATOM 0 HB3 GLU A 95 -4.091 -15.438 -4.325 1.00 64.32 H new ATOM 0 HG2 GLU A 95 -5.058 -13.358 -4.363 1.00 71.51 H new ATOM 0 HG3 GLU A 95 -4.739 -13.049 -2.668 1.00 71.51 H new ATOM 1521 N LYS A 96 -3.223 -17.387 -1.809 1.00 64.32 N ATOM 1522 CA LYS A 96 -2.773 -18.770 -1.710 1.00 75.40 C ATOM 1523 C LYS A 96 -3.264 -19.411 -0.415 1.00 11.12 C ATOM 1524 O LYS A 96 -2.952 -20.565 -0.124 1.00 22.02 O ATOM 1525 CB LYS A 96 -1.245 -18.837 -1.774 1.00 45.25 C ATOM 1526 CG LYS A 96 -0.556 -18.188 -0.589 1.00 31.24 C ATOM 1527 CD LYS A 96 0.719 -18.925 -0.211 1.00 14.51 C ATOM 1528 CE LYS A 96 0.584 -19.616 1.137 1.00 72.22 C ATOM 1529 NZ LYS A 96 1.468 -20.809 1.240 1.00 24.20 N ATOM 0 H LYS A 96 -2.530 -16.697 -1.520 1.00 64.32 H new ATOM 0 HA LYS A 96 -3.192 -19.322 -2.551 1.00 75.40 H new ATOM 0 HB2 LYS A 96 -0.938 -19.881 -1.834 1.00 45.25 H new ATOM 0 HB3 LYS A 96 -0.907 -18.352 -2.690 1.00 45.25 H new ATOM 0 HG2 LYS A 96 -0.320 -17.151 -0.828 1.00 31.24 H new ATOM 0 HG3 LYS A 96 -1.235 -18.173 0.264 1.00 31.24 H new ATOM 0 HD2 LYS A 96 0.955 -19.663 -0.978 1.00 14.51 H new ATOM 0 HD3 LYS A 96 1.551 -18.222 -0.179 1.00 14.51 H new ATOM 0 HE2 LYS A 96 0.830 -18.912 1.932 1.00 72.22 H new ATOM 0 HE3 LYS A 96 -0.452 -19.918 1.288 1.00 72.22 H new ATOM 0 HZ1 LYS A 96 1.346 -21.252 2.173 1.00 24.20 H new ATOM 0 HZ2 LYS A 96 1.217 -21.492 0.497 1.00 24.20 H new ATOM 0 HZ3 LYS A 96 2.459 -20.518 1.121 1.00 24.20 H new ATOM 1543 N GLY A 97 -4.035 -18.653 0.359 1.00 14.11 N ATOM 1544 CA GLY A 97 -4.559 -19.164 1.613 1.00 73.11 C ATOM 1545 C GLY A 97 -5.902 -18.559 1.971 1.00 24.43 C ATOM 1546 O GLY A 97 -6.105 -18.101 3.096 1.00 3.14 O ATOM 0 H GLY A 97 -4.306 -17.694 0.140 1.00 14.11 H new ATOM 0 HA2 GLY A 97 -4.658 -20.247 1.547 1.00 73.11 H new ATOM 0 HA3 GLY A 97 -3.847 -18.957 2.412 1.00 73.11 H new ATOM 1550 N LEU A 98 -6.821 -18.554 1.011 1.00 21.43 N ATOM 1551 CA LEU A 98 -8.152 -17.997 1.230 1.00 32.42 C ATOM 1552 C LEU A 98 -9.113 -19.069 1.736 1.00 5.44 C ATOM 1553 O LEU A 98 -9.965 -18.801 2.582 1.00 41.54 O ATOM 1554 CB LEU A 98 -8.688 -17.384 -0.064 1.00 12.42 C ATOM 1555 CG LEU A 98 -8.680 -18.293 -1.292 1.00 54.34 C ATOM 1556 CD1 LEU A 98 -10.088 -18.772 -1.611 1.00 63.21 C ATOM 1557 CD2 LEU A 98 -8.077 -17.571 -2.488 1.00 13.32 C ATOM 0 H LEU A 98 -6.669 -18.929 0.075 1.00 21.43 H new ATOM 0 HA LEU A 98 -8.074 -17.218 1.988 1.00 32.42 H new ATOM 0 HB2 LEU A 98 -9.712 -17.053 0.111 1.00 12.42 H new ATOM 0 HB3 LEU A 98 -8.100 -16.495 -0.292 1.00 12.42 H new ATOM 0 HG LEU A 98 -8.063 -19.164 -1.070 1.00 54.34 H new ATOM 0 HD11 LEU A 98 -10.062 -19.418 -2.488 1.00 63.21 H new ATOM 0 HD12 LEU A 98 -10.484 -19.329 -0.762 1.00 63.21 H new ATOM 0 HD13 LEU A 98 -10.728 -17.913 -1.812 1.00 63.21 H new ATOM 0 HD21 LEU A 98 -8.080 -18.234 -3.353 1.00 13.32 H new ATOM 0 HD22 LEU A 98 -8.666 -16.681 -2.711 1.00 13.32 H new ATOM 0 HD23 LEU A 98 -7.052 -17.279 -2.258 1.00 13.32 H new ATOM 1569 N ALA A 99 -8.967 -20.282 1.213 1.00 5.35 N ATOM 1570 CA ALA A 99 -9.819 -21.394 1.613 1.00 14.11 C ATOM 1571 C ALA A 99 -9.575 -21.775 3.069 1.00 54.14 C ATOM 1572 O ALA A 99 -10.460 -21.639 3.916 1.00 3.34 O ATOM 1573 CB ALA A 99 -9.585 -22.591 0.705 1.00 33.51 C ATOM 0 H ALA A 99 -8.266 -20.519 0.511 1.00 5.35 H new ATOM 0 HA ALA A 99 -10.858 -21.078 1.517 1.00 14.11 H new ATOM 0 HB1 ALA A 99 -10.228 -23.414 1.015 1.00 33.51 H new ATOM 0 HB2 ALA A 99 -9.817 -22.318 -0.324 1.00 33.51 H new ATOM 0 HB3 ALA A 99 -8.542 -22.900 0.772 1.00 33.51 H new ATOM 1579 N THR A 100 -8.369 -22.255 3.357 1.00 24.02 N ATOM 1580 CA THR A 100 -8.009 -22.657 4.711 1.00 41.12 C ATOM 1581 C THR A 100 -6.611 -22.174 5.075 1.00 21.22 C ATOM 1582 O THR A 100 -5.662 -22.356 4.313 1.00 23.40 O ATOM 1583 CB THR A 100 -8.069 -24.188 4.876 1.00 22.42 C ATOM 1584 OG1 THR A 100 -8.082 -24.820 3.591 1.00 22.21 O ATOM 1585 CG2 THR A 100 -9.306 -24.599 5.661 1.00 62.31 C ATOM 0 H THR A 100 -7.625 -22.375 2.670 1.00 24.02 H new ATOM 0 HA THR A 100 -8.735 -22.197 5.381 1.00 41.12 H new ATOM 0 HB THR A 100 -7.185 -24.507 5.428 1.00 22.42 H new ATOM 0 HG1 THR A 100 -8.118 -25.793 3.705 1.00 22.21 H new ATOM 0 HG21 THR A 100 -9.327 -25.684 5.765 1.00 62.31 H new ATOM 0 HG22 THR A 100 -9.279 -24.140 6.649 1.00 62.31 H new ATOM 0 HG23 THR A 100 -10.199 -24.268 5.132 1.00 62.31 H new ATOM 1593 N SER A 101 -6.490 -21.556 6.245 1.00 34.23 N ATOM 1594 CA SER A 101 -5.206 -21.041 6.710 1.00 75.43 C ATOM 1595 C SER A 101 -5.241 -20.767 8.211 1.00 41.22 C ATOM 1596 O SER A 101 -4.446 -21.316 8.974 1.00 64.30 O ATOM 1597 CB SER A 101 -4.842 -19.763 5.954 1.00 23.11 C ATOM 1598 OG SER A 101 -3.572 -19.279 6.353 1.00 33.44 O ATOM 0 H SER A 101 -7.265 -21.399 6.889 1.00 34.23 H new ATOM 0 HA SER A 101 -4.447 -21.798 6.515 1.00 75.43 H new ATOM 0 HB2 SER A 101 -4.839 -19.959 4.882 1.00 23.11 H new ATOM 0 HB3 SER A 101 -5.599 -19.000 6.137 1.00 23.11 H new ATOM 0 HG SER A 101 -3.362 -18.462 5.854 1.00 33.44 H new ATOM 1604 N LEU A 102 -6.169 -19.913 8.627 1.00 5.50 N ATOM 1605 CA LEU A 102 -6.311 -19.564 10.037 1.00 62.15 C ATOM 1606 C LEU A 102 -7.338 -20.461 10.719 1.00 31.00 C ATOM 1607 O LEU A 102 -8.316 -19.977 11.289 1.00 72.42 O ATOM 1608 CB LEU A 102 -6.722 -18.097 10.179 1.00 20.32 C ATOM 1609 CG LEU A 102 -5.584 -17.076 10.156 1.00 50.15 C ATOM 1610 CD1 LEU A 102 -5.051 -16.904 8.741 1.00 51.52 C ATOM 1611 CD2 LEU A 102 -6.053 -15.742 10.717 1.00 63.43 C ATOM 0 H LEU A 102 -6.835 -19.449 8.009 1.00 5.50 H new ATOM 0 HA LEU A 102 -5.347 -19.714 10.523 1.00 62.15 H new ATOM 0 HB2 LEU A 102 -7.416 -17.855 9.374 1.00 20.32 H new ATOM 0 HB3 LEU A 102 -7.267 -17.982 11.116 1.00 20.32 H new ATOM 0 HG LEU A 102 -4.775 -17.447 10.785 1.00 50.15 H new ATOM 0 HD11 LEU A 102 -4.242 -16.174 8.743 1.00 51.52 H new ATOM 0 HD12 LEU A 102 -4.676 -17.860 8.375 1.00 51.52 H new ATOM 0 HD13 LEU A 102 -5.853 -16.555 8.090 1.00 51.52 H new ATOM 0 HD21 LEU A 102 -5.230 -15.028 10.693 1.00 63.43 H new ATOM 0 HD22 LEU A 102 -6.879 -15.364 10.115 1.00 63.43 H new ATOM 0 HD23 LEU A 102 -6.386 -15.877 11.746 1.00 63.43 H new ATOM 1623 N GLN A 103 -7.108 -21.768 10.659 1.00 14.41 N ATOM 1624 CA GLN A 103 -8.014 -22.732 11.274 1.00 3.24 C ATOM 1625 C GLN A 103 -7.811 -22.782 12.785 1.00 63.45 C ATOM 1626 O GLN A 103 -6.724 -22.496 13.285 1.00 51.43 O ATOM 1627 CB GLN A 103 -7.797 -24.121 10.672 1.00 54.12 C ATOM 1628 CG GLN A 103 -8.600 -25.214 11.360 1.00 42.22 C ATOM 1629 CD GLN A 103 -8.401 -26.575 10.722 1.00 52.22 C ATOM 1630 OE1 GLN A 103 -9.285 -27.084 10.030 1.00 1.55 O ATOM 1631 NE2 GLN A 103 -7.237 -27.171 10.948 1.00 54.35 N ATOM 0 H GLN A 103 -6.303 -22.184 10.191 1.00 14.41 H new ATOM 0 HA GLN A 103 -9.037 -22.412 11.074 1.00 3.24 H new ATOM 0 HB2 GLN A 103 -8.064 -24.096 9.615 1.00 54.12 H new ATOM 0 HB3 GLN A 103 -6.737 -24.370 10.727 1.00 54.12 H new ATOM 0 HG2 GLN A 103 -8.313 -25.264 12.410 1.00 42.22 H new ATOM 0 HG3 GLN A 103 -9.658 -24.955 11.331 1.00 42.22 H new ATOM 0 HE21 GLN A 103 -6.533 -26.713 11.527 1.00 54.35 H new ATOM 0 HE22 GLN A 103 -7.046 -28.087 10.542 1.00 54.35 H new ATOM 1640 N ASN A 104 -8.866 -23.147 13.506 1.00 20.01 N ATOM 1641 CA ASN A 104 -8.805 -23.234 14.960 1.00 62.50 C ATOM 1642 C ASN A 104 -8.435 -21.884 15.571 1.00 71.45 C ATOM 1643 O ASN A 104 -9.305 -21.121 15.987 1.00 13.10 O ATOM 1644 CB ASN A 104 -7.787 -24.294 15.386 1.00 73.21 C ATOM 1645 CG ASN A 104 -7.208 -24.021 16.762 1.00 42.02 C ATOM 1646 OD1 ASN A 104 -6.034 -24.290 17.017 1.00 30.50 O ATOM 1647 ND2 ASN A 104 -8.032 -23.484 17.654 1.00 54.22 N ATOM 0 H ASN A 104 -9.773 -23.387 13.107 1.00 20.01 H new ATOM 0 HA ASN A 104 -9.792 -23.520 15.324 1.00 62.50 H new ATOM 0 HB2 ASN A 104 -8.264 -25.274 15.384 1.00 73.21 H new ATOM 0 HB3 ASN A 104 -6.979 -24.332 14.656 1.00 73.21 H new ATOM 0 HD21 ASN A 104 -7.700 -23.277 18.596 1.00 54.22 H new ATOM 0 HD22 ASN A 104 -8.997 -23.278 17.397 1.00 54.22 H new ATOM 1654 N ASP A 105 -7.138 -21.599 15.617 1.00 50.30 N ATOM 1655 CA ASP A 105 -6.653 -20.341 16.174 1.00 71.42 C ATOM 1656 C ASP A 105 -7.130 -20.164 17.613 1.00 45.00 C ATOM 1657 O ASP A 105 -8.117 -19.470 17.869 1.00 21.42 O ATOM 1658 CB ASP A 105 -7.124 -19.164 15.319 1.00 63.42 C ATOM 1659 CG ASP A 105 -6.157 -17.996 15.359 1.00 52.53 C ATOM 1660 OD1 ASP A 105 -5.066 -18.150 15.946 1.00 1.25 O ATOM 1661 OD2 ASP A 105 -6.493 -16.930 14.805 1.00 5.42 O ATOM 0 H ASP A 105 -6.405 -22.221 15.276 1.00 50.30 H new ATOM 0 HA ASP A 105 -5.563 -20.368 16.172 1.00 71.42 H new ATOM 0 HB2 ASP A 105 -7.248 -19.494 14.288 1.00 63.42 H new ATOM 0 HB3 ASP A 105 -8.103 -18.834 15.668 1.00 63.42 H new ATOM 1667 N LEU A 106 -6.427 -20.795 18.546 1.00 32.13 N ATOM 1668 CA LEU A 106 -6.779 -20.707 19.959 1.00 64.34 C ATOM 1669 C LEU A 106 -6.834 -19.254 20.418 1.00 22.02 C ATOM 1670 O LEU A 106 -5.800 -18.632 20.663 1.00 35.13 O ATOM 1671 CB LEU A 106 -5.770 -21.484 20.805 1.00 12.31 C ATOM 1672 CG LEU A 106 -6.002 -22.992 20.911 1.00 51.03 C ATOM 1673 CD1 LEU A 106 -4.994 -23.748 20.059 1.00 42.32 C ATOM 1674 CD2 LEU A 106 -5.922 -23.443 22.362 1.00 51.04 C ATOM 0 H LEU A 106 -5.610 -21.373 18.350 1.00 32.13 H new ATOM 0 HA LEU A 106 -7.768 -21.146 20.090 1.00 64.34 H new ATOM 0 HB2 LEU A 106 -4.775 -21.318 20.391 1.00 12.31 H new ATOM 0 HB3 LEU A 106 -5.771 -21.065 21.811 1.00 12.31 H new ATOM 0 HG LEU A 106 -7.002 -23.214 20.537 1.00 51.03 H new ATOM 0 HD11 LEU A 106 -5.174 -24.819 20.147 1.00 42.32 H new ATOM 0 HD12 LEU A 106 -5.100 -23.446 19.017 1.00 42.32 H new ATOM 0 HD13 LEU A 106 -3.985 -23.521 20.402 1.00 42.32 H new ATOM 0 HD21 LEU A 106 -6.090 -24.519 22.418 1.00 51.04 H new ATOM 0 HD22 LEU A 106 -4.936 -23.208 22.762 1.00 51.04 H new ATOM 0 HD23 LEU A 106 -6.683 -22.926 22.946 1.00 51.04 H new ATOM 1686 N GLN A 107 -8.045 -18.719 20.534 1.00 21.40 N ATOM 1687 CA GLN A 107 -8.233 -17.339 20.966 1.00 22.32 C ATOM 1688 C GLN A 107 -9.242 -17.258 22.105 1.00 32.22 C ATOM 1689 O GLN A 107 -10.211 -16.503 22.036 1.00 32.54 O ATOM 1690 CB GLN A 107 -8.700 -16.475 19.793 1.00 24.22 C ATOM 1691 CG GLN A 107 -7.560 -15.911 18.961 1.00 25.23 C ATOM 1692 CD GLN A 107 -7.582 -14.398 18.888 1.00 43.04 C ATOM 1693 OE1 GLN A 107 -7.230 -13.712 19.848 1.00 1.43 O ATOM 1694 NE2 GLN A 107 -8.000 -13.867 17.744 1.00 23.01 N ATOM 0 H GLN A 107 -8.911 -19.220 20.335 1.00 21.40 H new ATOM 0 HA GLN A 107 -7.275 -16.964 21.326 1.00 22.32 H new ATOM 0 HB2 GLN A 107 -9.348 -17.070 19.150 1.00 24.22 H new ATOM 0 HB3 GLN A 107 -9.301 -15.651 20.177 1.00 24.22 H new ATOM 0 HG2 GLN A 107 -6.610 -16.236 19.386 1.00 25.23 H new ATOM 0 HG3 GLN A 107 -7.615 -16.320 17.952 1.00 25.23 H new ATOM 0 HE21 GLN A 107 -8.282 -14.473 16.974 1.00 23.01 H new ATOM 0 HE22 GLN A 107 -8.038 -12.853 17.636 1.00 23.01 H new ATOM 1703 N GLU A 108 -9.008 -18.042 23.153 1.00 30.14 N ATOM 1704 CA GLU A 108 -9.898 -18.057 24.309 1.00 45.45 C ATOM 1705 C GLU A 108 -9.170 -18.563 25.551 1.00 50.25 C ATOM 1706 O GLU A 108 -9.795 -19.009 26.512 1.00 3.11 O ATOM 1707 CB GLU A 108 -11.119 -18.938 24.027 1.00 24.20 C ATOM 1708 CG GLU A 108 -10.827 -20.426 24.104 1.00 21.13 C ATOM 1709 CD GLU A 108 -11.293 -21.177 22.873 1.00 42.40 C ATOM 1710 OE1 GLU A 108 -11.541 -22.397 22.981 1.00 64.30 O ATOM 1711 OE2 GLU A 108 -11.410 -20.547 21.802 1.00 10.52 O ATOM 0 H GLU A 108 -8.211 -18.674 23.226 1.00 30.14 H new ATOM 0 HA GLU A 108 -10.229 -17.035 24.494 1.00 45.45 H new ATOM 0 HB2 GLU A 108 -11.906 -18.693 24.741 1.00 24.20 H new ATOM 0 HB3 GLU A 108 -11.505 -18.703 23.035 1.00 24.20 H new ATOM 0 HG2 GLU A 108 -9.755 -20.576 24.232 1.00 21.13 H new ATOM 0 HG3 GLU A 108 -11.315 -20.843 24.985 1.00 21.13 H new ATOM 1719 N VAL A 109 -7.843 -18.490 25.521 1.00 72.20 N ATOM 1720 CA VAL A 109 -7.027 -18.940 26.644 1.00 54.23 C ATOM 1721 C VAL A 109 -5.804 -18.048 26.826 1.00 44.32 C ATOM 1722 O VAL A 109 -5.256 -17.502 25.867 1.00 33.54 O ATOM 1723 CB VAL A 109 -6.565 -20.395 26.455 1.00 63.14 C ATOM 1724 CG1 VAL A 109 -7.548 -21.358 27.106 1.00 23.41 C ATOM 1725 CG2 VAL A 109 -6.397 -20.713 24.976 1.00 33.53 C ATOM 0 H VAL A 109 -7.310 -18.124 24.732 1.00 72.20 H new ATOM 0 HA VAL A 109 -7.653 -18.880 27.534 1.00 54.23 H new ATOM 0 HB VAL A 109 -5.598 -20.516 26.943 1.00 63.14 H new ATOM 0 HG11 VAL A 109 -7.204 -22.382 26.962 1.00 23.41 H new ATOM 0 HG12 VAL A 109 -7.614 -21.144 28.173 1.00 23.41 H new ATOM 0 HG13 VAL A 109 -8.531 -21.238 26.650 1.00 23.41 H new ATOM 0 HG21 VAL A 109 -6.070 -21.746 24.861 1.00 33.53 H new ATOM 0 HG22 VAL A 109 -7.349 -20.575 24.464 1.00 33.53 H new ATOM 0 HG23 VAL A 109 -5.652 -20.046 24.543 1.00 33.53 H new ATOM 1735 N PRO A 110 -5.364 -17.897 28.084 1.00 25.11 N ATOM 1736 CA PRO A 110 -4.199 -17.075 28.420 1.00 1.23 C ATOM 1737 C PRO A 110 -2.892 -17.691 27.933 1.00 22.00 C ATOM 1738 O PRO A 110 -2.828 -18.885 27.645 1.00 35.33 O ATOM 1739 CB PRO A 110 -4.228 -17.026 29.950 1.00 54.22 C ATOM 1740 CG PRO A 110 -4.954 -18.262 30.354 1.00 53.23 C ATOM 1741 CD PRO A 110 -5.969 -18.519 29.273 1.00 24.35 C ATOM 0 HA PRO A 110 -4.244 -16.094 27.946 1.00 1.23 H new ATOM 0 HB2 PRO A 110 -3.220 -17.005 30.365 1.00 54.22 H new ATOM 0 HB3 PRO A 110 -4.738 -16.132 30.308 1.00 54.22 H new ATOM 0 HG2 PRO A 110 -4.268 -19.103 30.453 1.00 53.23 H new ATOM 0 HG3 PRO A 110 -5.439 -18.131 31.321 1.00 53.23 H new ATOM 0 HD2 PRO A 110 -6.139 -19.586 29.126 1.00 24.35 H new ATOM 0 HD3 PRO A 110 -6.934 -18.073 29.513 1.00 24.35 H new ATOM 1749 N SER A 111 -1.852 -16.868 27.843 1.00 63.42 N ATOM 1750 CA SER A 111 -0.547 -17.333 27.386 1.00 31.23 C ATOM 1751 C SER A 111 0.565 -16.424 27.903 1.00 55.25 C ATOM 1752 O SER A 111 0.321 -15.521 28.701 1.00 34.44 O ATOM 1753 CB SER A 111 -0.508 -17.388 25.858 1.00 71.44 C ATOM 1754 OG SER A 111 -0.228 -18.701 25.402 1.00 31.22 O ATOM 0 H SER A 111 -1.887 -15.877 28.080 1.00 63.42 H new ATOM 0 HA SER A 111 -0.386 -18.336 27.782 1.00 31.23 H new ATOM 0 HB2 SER A 111 -1.464 -17.056 25.454 1.00 71.44 H new ATOM 0 HB3 SER A 111 0.251 -16.701 25.485 1.00 71.44 H new ATOM 0 HG SER A 111 -0.210 -18.710 24.422 1.00 31.22 H new ATOM 1760 N GLY A 112 1.786 -16.672 27.440 1.00 40.25 N ATOM 1761 CA GLY A 112 2.917 -15.868 27.865 1.00 64.44 C ATOM 1762 C GLY A 112 3.829 -16.612 28.819 1.00 11.11 C ATOM 1763 O GLY A 112 3.755 -17.833 28.960 1.00 60.12 O ATOM 0 H GLY A 112 2.012 -17.415 26.779 1.00 40.25 H new ATOM 0 HA2 GLY A 112 3.487 -15.557 26.990 1.00 64.44 H new ATOM 0 HA3 GLY A 112 2.553 -14.961 28.348 1.00 64.44 H new ATOM 1767 N PRO A 113 4.718 -15.867 29.495 1.00 75.50 N ATOM 1768 CA PRO A 113 5.667 -16.443 30.453 1.00 53.33 C ATOM 1769 C PRO A 113 4.980 -16.949 31.718 1.00 53.05 C ATOM 1770 O PRO A 113 5.196 -16.418 32.807 1.00 32.41 O ATOM 1771 CB PRO A 113 6.594 -15.271 30.781 1.00 2.43 C ATOM 1772 CG PRO A 113 5.776 -14.054 30.520 1.00 75.12 C ATOM 1773 CD PRO A 113 4.863 -14.408 29.378 1.00 14.31 C ATOM 0 HA PRO A 113 6.183 -17.311 30.043 1.00 53.33 H new ATOM 0 HB2 PRO A 113 6.927 -15.309 31.818 1.00 2.43 H new ATOM 0 HB3 PRO A 113 7.488 -15.288 30.158 1.00 2.43 H new ATOM 0 HG2 PRO A 113 5.204 -13.771 31.404 1.00 75.12 H new ATOM 0 HG3 PRO A 113 6.410 -13.205 30.265 1.00 75.12 H new ATOM 0 HD2 PRO A 113 3.902 -13.901 29.461 1.00 14.31 H new ATOM 0 HD3 PRO A 113 5.292 -14.123 28.418 1.00 14.31 H new ATOM 1781 N SER A 114 4.152 -17.977 31.564 1.00 14.23 N ATOM 1782 CA SER A 114 3.429 -18.553 32.695 1.00 23.14 C ATOM 1783 C SER A 114 3.557 -20.072 32.703 1.00 62.30 C ATOM 1784 O SER A 114 2.660 -20.779 33.162 1.00 14.23 O ATOM 1785 CB SER A 114 1.954 -18.153 32.641 1.00 11.52 C ATOM 1786 OG SER A 114 1.738 -16.913 33.291 1.00 11.44 O ATOM 0 H SER A 114 3.964 -18.429 30.669 1.00 14.23 H new ATOM 0 HA SER A 114 3.869 -18.164 33.613 1.00 23.14 H new ATOM 0 HB2 SER A 114 1.630 -18.084 31.602 1.00 11.52 H new ATOM 0 HB3 SER A 114 1.347 -18.925 33.113 1.00 11.52 H new ATOM 0 HG SER A 114 0.788 -16.679 33.241 1.00 11.44 H new ATOM 1792 N SER A 115 4.679 -20.570 32.191 1.00 33.24 N ATOM 1793 CA SER A 115 4.924 -22.006 32.137 1.00 64.03 C ATOM 1794 C SER A 115 4.381 -22.698 33.383 1.00 25.21 C ATOM 1795 O SER A 115 4.863 -22.471 34.492 1.00 62.32 O ATOM 1796 CB SER A 115 6.422 -22.284 31.996 1.00 23.13 C ATOM 1797 OG SER A 115 6.733 -23.608 32.393 1.00 23.51 O ATOM 0 H SER A 115 5.433 -19.999 31.808 1.00 33.24 H new ATOM 0 HA SER A 115 4.404 -22.406 31.266 1.00 64.03 H new ATOM 0 HB2 SER A 115 6.728 -22.130 30.961 1.00 23.13 H new ATOM 0 HB3 SER A 115 6.986 -21.576 32.604 1.00 23.13 H new ATOM 0 HG SER A 115 7.696 -23.762 32.292 1.00 23.51 H new ATOM 1803 N GLY A 116 3.373 -23.544 33.191 1.00 23.02 N ATOM 1804 CA GLY A 116 2.781 -24.256 34.307 1.00 50.20 C ATOM 1805 C GLY A 116 3.811 -25.007 35.130 1.00 63.04 C ATOM 1806 O GLY A 116 3.460 -25.788 36.013 1.00 41.35 O ATOM 0 H GLY A 116 2.957 -23.748 32.283 1.00 23.02 H new ATOM 0 HA2 GLY A 116 2.255 -23.548 34.948 1.00 50.20 H new ATOM 0 HA3 GLY A 116 2.038 -24.959 33.932 1.00 50.20 H new TER 1810 GLY A 116