USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 832 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 102 THR OG1 : rot -130:sc= 0.841 USER MOD Set 1.2: A 103 ASN : amide:sc= 0 K(o=0.84,f=-0.17) USER MOD Set 2.1: A 67 TYR OH : rot -109:sc= 0.987 USER MOD Set 2.2: A 80 MET CE :methyl -157:sc= -0.0953 (180deg=-1.02) USER MOD Set 3.1: A 49 THR OG1 : rot 180:sc= -1.08 USER MOD Set 3.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 31 ASN : amide:sc= -4.26! C(o=-4.3!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 168:sc= 0.697 (180deg=0.484) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 141:sc= -0.138 (180deg=-2.34!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 151:sc= -0.717 (180deg=-2.53!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 116:sc= -0.066 USER MOD Single : A 15 SER OG : rot -57:sc= -2.49! USER MOD Single : A 16 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.031) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -2.88! C(o=-2.9!,f=-7.1!) USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= -0.0858 (180deg=-0.476) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -5.51 X(o=-5.5,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.393 (180deg=-1.49!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-2.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 140:sc= -0.881 USER MOD Single : A 42 GLN : amide:sc= -1.02 X(o=-1,f=-0.87) USER MOD Single : A 46 TYR OH : rot 15:sc= -0.576 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -8.86! C(o=-8.9!,f=-13!) USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.036) USER MOD Single : A 54 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.18) USER MOD Single : A 55 LYS NZ :NH3+ -107:sc= -7.99! (180deg=-15.2!) USER MOD Single : A 63 THR OG1 : rot -150:sc= -0.571 USER MOD Single : A 65 MET CE :methyl -128:sc= -0.314 (180deg=-4.01!) USER MOD Single : A 70 ASN : amide:sc= -3.78! C(o=-3.8!,f=-4.3!) USER MOD Single : A 72 LYS NZ :NH3+ 150:sc= -0.567 (180deg=-1.76!) USER MOD Single : A 73 LYS NZ :NH3+ -108:sc= -1.3 (180deg=-2.66!) USER MOD Single : A 74 TYR OH : rot 130:sc= -0.239 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -123:sc= -3.34! (180deg=-5.01!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= -0.0832 (180deg=-0.655) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.325 0.000 0.000 1.00 73.12 N ATOM 2 CA GLY A 1 2.073 0.000 -1.246 1.00 23.12 C ATOM 3 C GLY A 1 2.047 -1.382 -1.901 1.00 15.10 C ATOM 4 O GLY A 1 3.058 -1.842 -2.429 1.00 23.01 O ATOM 0 H1 GLY A 1 1.522 0.877 0.523 1.00 73.12 H new ATOM 0 H2 GLY A 1 0.307 -0.059 -0.206 1.00 73.12 H new ATOM 0 H3 GLY A 1 1.609 -0.818 0.576 1.00 73.12 H new ATOM 0 HA2 GLY A 1 1.650 0.738 -1.928 1.00 23.12 H new ATOM 0 HA3 GLY A 1 3.104 0.297 -1.055 1.00 23.12 H new ATOM 8 N ASP A 2 0.880 -2.006 -1.845 1.00 31.34 N ATOM 9 CA ASP A 2 0.708 -3.327 -2.427 1.00 62.51 C ATOM 10 C ASP A 2 1.268 -3.329 -3.851 1.00 14.32 C ATOM 11 O ASP A 2 0.807 -2.572 -4.704 1.00 25.10 O ATOM 12 CB ASP A 2 -0.771 -3.708 -2.501 1.00 74.02 C ATOM 13 CG ASP A 2 -1.590 -3.369 -1.253 1.00 73.22 C ATOM 14 OD1 ASP A 2 -1.104 -2.689 -0.336 1.00 54.32 O ATOM 15 OD2 ASP A 2 -2.791 -3.839 -1.244 1.00 63.02 O1- ATOM 0 H ASP A 2 0.044 -1.622 -1.405 1.00 31.34 H new ATOM 0 HA ASP A 2 1.234 -4.044 -1.797 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -1.218 -3.204 -3.358 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -0.846 -4.780 -2.686 1.00 74.02 H new ATOM 21 N VAL A 3 2.255 -4.187 -4.064 1.00 32.11 N ATOM 22 CA VAL A 3 2.883 -4.297 -5.369 1.00 21.23 C ATOM 23 C VAL A 3 2.183 -5.393 -6.176 1.00 32.03 C ATOM 24 O VAL A 3 2.075 -5.297 -7.397 1.00 72.34 O ATOM 25 CB VAL A 3 4.385 -4.540 -5.209 1.00 43.02 C ATOM 26 CG1 VAL A 3 4.999 -5.055 -6.512 1.00 11.15 C ATOM 27 CG2 VAL A 3 5.097 -3.273 -4.730 1.00 25.11 C ATOM 0 H VAL A 3 2.635 -4.813 -3.354 1.00 32.11 H new ATOM 0 HA VAL A 3 2.776 -3.365 -5.924 1.00 21.23 H new ATOM 0 HB VAL A 3 4.521 -5.309 -4.448 1.00 43.02 H new ATOM 0 HG11 VAL A 3 6.067 -5.219 -6.371 1.00 11.15 H new ATOM 0 HG12 VAL A 3 4.521 -5.994 -6.793 1.00 11.15 H new ATOM 0 HG13 VAL A 3 4.846 -4.319 -7.302 1.00 11.15 H new ATOM 0 HG21 VAL A 3 6.163 -3.473 -4.624 1.00 25.11 H new ATOM 0 HG22 VAL A 3 4.948 -2.475 -5.457 1.00 25.11 H new ATOM 0 HG23 VAL A 3 4.688 -2.968 -3.767 1.00 25.11 H new ATOM 37 N GLU A 4 1.725 -6.410 -5.460 1.00 73.22 N ATOM 38 CA GLU A 4 1.039 -7.522 -6.094 1.00 63.21 C ATOM 39 C GLU A 4 -0.259 -7.043 -6.748 1.00 2.11 C ATOM 40 O GLU A 4 -0.558 -7.409 -7.883 1.00 24.52 O ATOM 41 CB GLU A 4 0.764 -8.642 -5.088 1.00 11.11 C ATOM 42 CG GLU A 4 2.048 -9.404 -4.752 1.00 4.20 C ATOM 43 CD GLU A 4 1.748 -10.624 -3.878 1.00 44.00 C ATOM 44 OE1 GLU A 4 1.698 -11.753 -4.387 1.00 12.45 O ATOM 45 OE2 GLU A 4 1.566 -10.367 -2.627 1.00 23.24 O1- ATOM 0 H GLU A 4 1.816 -6.487 -4.447 1.00 73.22 H new ATOM 0 HA GLU A 4 1.687 -7.927 -6.872 1.00 63.21 H new ATOM 0 HB2 GLU A 4 0.338 -8.221 -4.177 1.00 11.11 H new ATOM 0 HB3 GLU A 4 0.025 -9.330 -5.498 1.00 11.11 H new ATOM 0 HG2 GLU A 4 2.537 -9.723 -5.672 1.00 4.20 H new ATOM 0 HG3 GLU A 4 2.743 -8.743 -4.234 1.00 4.20 H new ATOM 53 N LYS A 5 -0.994 -6.230 -6.003 1.00 75.34 N ATOM 54 CA LYS A 5 -2.252 -5.696 -6.496 1.00 44.05 C ATOM 55 C LYS A 5 -1.985 -4.827 -7.727 1.00 71.23 C ATOM 56 O LYS A 5 -2.429 -5.150 -8.828 1.00 12.12 O ATOM 57 CB LYS A 5 -3.000 -4.967 -5.378 1.00 52.33 C ATOM 58 CG LYS A 5 -3.670 -5.961 -4.428 1.00 25.44 C ATOM 59 CD LYS A 5 -2.659 -6.976 -3.894 1.00 53.34 C ATOM 60 CE LYS A 5 -3.278 -7.839 -2.792 1.00 54.44 C ATOM 61 NZ LYS A 5 -2.220 -8.460 -1.964 1.00 55.34 N1+ ATOM 0 H LYS A 5 -0.742 -5.928 -5.062 1.00 75.34 H new ATOM 0 HA LYS A 5 -2.911 -6.504 -6.813 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -2.306 -4.338 -4.821 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -3.753 -4.307 -5.809 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -4.125 -5.424 -3.596 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -4.473 -6.482 -4.949 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -2.313 -7.613 -4.708 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -1.785 -6.454 -3.504 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -3.927 -7.228 -2.165 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -3.902 -8.614 -3.236 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -2.657 -9.042 -1.221 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -1.617 -9.059 -2.563 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -1.641 -7.716 -1.525 1.00 55.34 H new ATOM 74 N GLY A 6 -1.262 -3.741 -7.499 1.00 50.24 N ATOM 75 CA GLY A 6 -0.930 -2.823 -8.575 1.00 73.13 C ATOM 76 C GLY A 6 -0.581 -3.583 -9.856 1.00 54.42 C ATOM 77 O GLY A 6 -0.788 -3.077 -10.958 1.00 0.33 O ATOM 0 H GLY A 6 -0.897 -3.476 -6.584 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -1.772 -2.156 -8.761 1.00 73.13 H new ATOM 0 HA3 GLY A 6 -0.088 -2.198 -8.278 1.00 73.13 H new ATOM 81 N LYS A 7 -0.058 -4.785 -9.669 1.00 72.11 N ATOM 82 CA LYS A 7 0.322 -5.620 -10.796 1.00 33.13 C ATOM 83 C LYS A 7 -0.932 -6.015 -11.578 1.00 72.23 C ATOM 84 O LYS A 7 -1.018 -5.776 -12.782 1.00 11.22 O ATOM 85 CB LYS A 7 1.152 -6.815 -10.322 1.00 21.32 C ATOM 86 CG LYS A 7 1.921 -7.445 -11.486 1.00 61.52 C ATOM 87 CD LYS A 7 2.865 -8.541 -10.989 1.00 32.11 C ATOM 88 CE LYS A 7 2.100 -9.833 -10.697 1.00 14.32 C ATOM 89 NZ LYS A 7 1.550 -10.404 -11.946 1.00 44.20 N1+ ATOM 0 H LYS A 7 0.112 -5.201 -8.753 1.00 72.11 H new ATOM 0 HA LYS A 7 0.964 -5.066 -11.480 1.00 33.13 H new ATOM 0 HB2 LYS A 7 1.852 -6.493 -9.551 1.00 21.32 H new ATOM 0 HB3 LYS A 7 0.498 -7.560 -9.868 1.00 21.32 H new ATOM 0 HG2 LYS A 7 1.218 -7.864 -12.206 1.00 61.52 H new ATOM 0 HG3 LYS A 7 2.492 -6.677 -12.008 1.00 61.52 H new ATOM 0 HD2 LYS A 7 3.634 -8.731 -11.738 1.00 32.11 H new ATOM 0 HD3 LYS A 7 3.375 -8.205 -10.087 1.00 32.11 H new ATOM 0 HE2 LYS A 7 2.763 -10.555 -10.221 1.00 14.32 H new ATOM 0 HE3 LYS A 7 1.291 -9.632 -9.995 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 1.638 -11.440 -11.923 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 0.547 -10.144 -12.034 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 2.077 -10.030 -12.760 1.00 44.20 H new ATOM 102 N LYS A 8 -1.874 -6.612 -10.863 1.00 14.31 N ATOM 103 CA LYS A 8 -3.119 -7.042 -11.475 1.00 71.23 C ATOM 104 C LYS A 8 -3.807 -5.838 -12.122 1.00 33.24 C ATOM 105 O LYS A 8 -4.378 -5.952 -13.205 1.00 33.30 O ATOM 106 CB LYS A 8 -3.993 -7.774 -10.455 1.00 4.10 C ATOM 107 CG LYS A 8 -4.884 -8.812 -11.140 1.00 33.13 C ATOM 108 CD LYS A 8 -4.097 -10.084 -11.462 1.00 22.11 C ATOM 109 CE LYS A 8 -3.652 -10.792 -10.181 1.00 14.34 C ATOM 110 NZ LYS A 8 -3.433 -12.233 -10.435 1.00 11.43 N1+ ATOM 0 H LYS A 8 -1.800 -6.808 -9.865 1.00 14.31 H new ATOM 0 HA LYS A 8 -2.924 -7.763 -12.269 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -3.361 -8.264 -9.715 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -4.612 -7.055 -9.919 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -5.727 -9.056 -10.494 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -5.297 -8.393 -12.058 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -4.714 -10.757 -12.058 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -3.224 -9.833 -12.065 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -2.734 -10.339 -9.808 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -4.408 -10.664 -9.406 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -3.131 -12.699 -9.555 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -4.318 -12.665 -10.770 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -2.695 -12.350 -11.159 1.00 11.43 H new ATOM 123 N ILE A 9 -3.729 -4.710 -11.430 1.00 15.44 N ATOM 124 CA ILE A 9 -4.337 -3.486 -11.923 1.00 60.11 C ATOM 125 C ILE A 9 -3.666 -3.083 -13.238 1.00 15.22 C ATOM 126 O ILE A 9 -4.251 -3.234 -14.309 1.00 74.43 O ATOM 127 CB ILE A 9 -4.293 -2.396 -10.851 1.00 1.54 C ATOM 128 CG1 ILE A 9 -4.878 -2.902 -9.531 1.00 64.24 C ATOM 129 CG2 ILE A 9 -4.988 -1.122 -11.335 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.204 -2.224 -8.336 1.00 25.42 C ATOM 0 H ILE A 9 -3.254 -4.619 -10.532 1.00 15.44 H new ATOM 0 HA ILE A 9 -5.393 -3.645 -12.139 1.00 60.11 H new ATOM 0 HB ILE A 9 -3.249 -2.142 -10.665 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -5.950 -2.708 -9.506 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.748 -3.982 -9.462 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -4.942 -0.363 -10.554 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.487 -0.752 -12.230 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -6.030 -1.342 -11.567 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.639 -2.602 -7.411 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.136 -2.440 -8.350 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.357 -1.146 -8.395 1.00 25.42 H new ATOM 142 N PHE A 10 -2.448 -2.577 -13.113 1.00 13.32 N ATOM 143 CA PHE A 10 -1.691 -2.151 -14.277 1.00 72.43 C ATOM 144 C PHE A 10 -1.843 -3.150 -15.426 1.00 75.11 C ATOM 145 O PHE A 10 -2.045 -2.756 -16.574 1.00 2.34 O ATOM 146 CB PHE A 10 -0.221 -2.093 -13.859 1.00 70.22 C ATOM 147 CG PHE A 10 0.574 -0.970 -14.530 1.00 44.23 C ATOM 148 CD1 PHE A 10 0.377 0.321 -14.152 1.00 11.20 C ATOM 149 CD2 PHE A 10 1.476 -1.264 -15.504 1.00 42.21 C ATOM 150 CE1 PHE A 10 1.114 1.363 -14.775 1.00 43.23 C ATOM 151 CE2 PHE A 10 2.213 -0.223 -16.127 1.00 53.34 C ATOM 152 CZ PHE A 10 2.017 1.069 -15.749 1.00 42.41 C ATOM 0 H PHE A 10 -1.966 -2.453 -12.222 1.00 13.32 H new ATOM 0 HA PHE A 10 -2.054 -1.183 -14.622 1.00 72.43 H new ATOM 0 HB2 PHE A 10 -0.166 -1.967 -12.778 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.250 -3.048 -14.093 1.00 70.22 H new ATOM 0 HD1 PHE A 10 -0.340 0.554 -13.378 1.00 11.20 H new ATOM 0 HD2 PHE A 10 1.632 -2.290 -15.804 1.00 42.21 H new ATOM 0 HE1 PHE A 10 0.958 2.389 -14.475 1.00 43.23 H new ATOM 0 HE2 PHE A 10 2.929 -0.457 -16.901 1.00 53.34 H new ATOM 0 HZ PHE A 10 2.578 1.861 -16.222 1.00 42.41 H new ATOM 162 N ILE A 11 -1.740 -4.424 -15.077 1.00 62.12 N ATOM 163 CA ILE A 11 -1.864 -5.483 -16.065 1.00 45.21 C ATOM 164 C ILE A 11 -3.067 -5.197 -16.965 1.00 24.11 C ATOM 165 O ILE A 11 -2.971 -5.298 -18.187 1.00 4.32 O ATOM 166 CB ILE A 11 -1.919 -6.850 -15.380 1.00 64.23 C ATOM 167 CG1 ILE A 11 -0.519 -7.318 -14.977 1.00 24.22 C ATOM 168 CG2 ILE A 11 -2.635 -7.876 -16.261 1.00 33.21 C ATOM 169 CD1 ILE A 11 -0.593 -8.426 -13.925 1.00 43.25 C ATOM 0 H ILE A 11 -1.572 -4.747 -14.124 1.00 62.12 H new ATOM 0 HA ILE A 11 -0.984 -5.509 -16.708 1.00 45.21 H new ATOM 0 HB ILE A 11 -2.501 -6.750 -14.464 1.00 64.23 H new ATOM 0 HG12 ILE A 11 0.014 -7.681 -15.856 1.00 24.22 H new ATOM 0 HG13 ILE A 11 0.051 -6.476 -14.584 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -2.660 -8.839 -15.751 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -3.654 -7.541 -16.455 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -2.101 -7.980 -17.206 1.00 33.21 H new ATOM 0 HD11 ILE A 11 0.415 -8.740 -13.656 1.00 43.25 H new ATOM 0 HD12 ILE A 11 -1.105 -8.052 -13.038 1.00 43.25 H new ATOM 0 HD13 ILE A 11 -1.142 -9.276 -14.330 1.00 43.25 H new ATOM 181 N MET A 12 -4.173 -4.845 -16.326 1.00 20.04 N ATOM 182 CA MET A 12 -5.394 -4.544 -17.053 1.00 73.11 C ATOM 183 C MET A 12 -5.967 -3.190 -16.627 1.00 2.53 C ATOM 184 O MET A 12 -7.178 -3.046 -16.471 1.00 61.15 O ATOM 185 CB MET A 12 -6.429 -5.641 -16.792 1.00 10.44 C ATOM 186 CG MET A 12 -7.455 -5.707 -17.924 1.00 20.33 C ATOM 187 SD MET A 12 -8.894 -6.619 -17.391 1.00 23.32 S ATOM 188 CE MET A 12 -9.371 -5.645 -15.974 1.00 74.43 C ATOM 0 H MET A 12 -4.249 -4.762 -15.312 1.00 20.04 H new ATOM 0 HA MET A 12 -5.159 -4.500 -18.116 1.00 73.11 H new ATOM 0 HB2 MET A 12 -5.927 -6.604 -16.695 1.00 10.44 H new ATOM 0 HB3 MET A 12 -6.937 -5.449 -15.847 1.00 10.44 H new ATOM 0 HG2 MET A 12 -7.743 -4.699 -18.224 1.00 20.33 H new ATOM 0 HG3 MET A 12 -7.014 -6.186 -18.798 1.00 20.33 H new ATOM 0 HE1 MET A 12 -10.449 -5.716 -15.830 1.00 74.43 H new ATOM 0 HE2 MET A 12 -8.861 -6.020 -15.087 1.00 74.43 H new ATOM 0 HE3 MET A 12 -9.094 -4.604 -16.139 1.00 74.43 H new ATOM 198 N LYS A 13 -5.068 -2.233 -16.451 1.00 3.23 N ATOM 199 CA LYS A 13 -5.468 -0.896 -16.046 1.00 42.12 C ATOM 200 C LYS A 13 -4.738 0.134 -16.911 1.00 34.24 C ATOM 201 O LYS A 13 -5.370 0.979 -17.543 1.00 23.10 O ATOM 202 CB LYS A 13 -5.251 -0.703 -14.544 1.00 13.54 C ATOM 203 CG LYS A 13 -5.715 0.684 -14.097 1.00 61.54 C ATOM 204 CD LYS A 13 -7.184 0.913 -14.455 1.00 54.44 C ATOM 205 CE LYS A 13 -8.065 -0.209 -13.901 1.00 54.34 C ATOM 206 NZ LYS A 13 -9.465 0.251 -13.764 1.00 20.13 N1+ ATOM 0 H LYS A 13 -4.064 -2.357 -16.581 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.536 -0.752 -16.211 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.797 -1.468 -13.993 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -4.195 -0.831 -14.306 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.579 0.787 -13.020 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -5.098 1.448 -14.571 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -7.515 1.871 -14.054 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.294 0.965 -15.538 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -8.023 -1.073 -14.564 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -7.686 -0.532 -12.932 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -10.049 -0.522 -13.387 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -9.502 1.062 -13.114 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.829 0.537 -14.695 1.00 20.13 H new ATOM 219 N CYS A 14 -3.417 0.030 -16.909 1.00 0.42 N ATOM 220 CA CYS A 14 -2.594 0.942 -17.685 1.00 73.31 C ATOM 221 C CYS A 14 -1.746 0.117 -18.655 1.00 61.22 C ATOM 222 O CYS A 14 -1.702 0.409 -19.849 1.00 3.21 O ATOM 223 CB CYS A 14 -1.732 1.830 -16.786 1.00 23.12 C ATOM 224 SG CYS A 14 -2.462 2.207 -15.151 1.00 24.50 S ATOM 0 H CYS A 14 -2.896 -0.672 -16.383 1.00 0.42 H new ATOM 0 HA CYS A 14 -3.233 1.621 -18.250 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.769 1.343 -16.634 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -1.537 2.768 -17.306 1.00 23.12 H new ATOM 0 HG CYS A 14 -1.718 1.697 -14.215 1.00 24.50 H new ATOM 229 N SER A 15 -1.095 -0.897 -18.106 1.00 53.01 N ATOM 230 CA SER A 15 -0.251 -1.767 -18.908 1.00 44.23 C ATOM 231 C SER A 15 -0.933 -2.072 -20.243 1.00 0.15 C ATOM 232 O SER A 15 -0.263 -2.298 -21.249 1.00 13.43 O ATOM 233 CB SER A 15 0.066 -3.066 -18.164 1.00 10.33 C ATOM 234 OG SER A 15 -0.918 -4.069 -18.400 1.00 53.25 O ATOM 0 H SER A 15 -1.135 -1.136 -17.115 1.00 53.01 H new ATOM 0 HA SER A 15 0.690 -1.251 -19.098 1.00 44.23 H new ATOM 0 HB2 SER A 15 1.042 -3.435 -18.478 1.00 10.33 H new ATOM 0 HB3 SER A 15 0.130 -2.865 -17.095 1.00 10.33 H new ATOM 0 HG SER A 15 -1.799 -3.732 -18.135 1.00 53.25 H new ATOM 240 N GLN A 16 -2.258 -2.070 -20.208 1.00 52.31 N ATOM 241 CA GLN A 16 -3.038 -2.344 -21.403 1.00 24.53 C ATOM 242 C GLN A 16 -2.390 -1.687 -22.623 1.00 24.04 C ATOM 243 O GLN A 16 -2.239 -2.319 -23.667 1.00 52.22 O ATOM 244 CB GLN A 16 -4.485 -1.877 -21.232 1.00 34.30 C ATOM 245 CG GLN A 16 -5.404 -2.553 -22.251 1.00 64.14 C ATOM 246 CD GLN A 16 -5.837 -3.937 -21.765 1.00 25.22 C ATOM 247 OE1 GLN A 16 -6.640 -4.082 -20.858 1.00 33.12 O ATOM 248 NE2 GLN A 16 -5.263 -4.944 -22.417 1.00 5.30 N ATOM 0 H GLN A 16 -2.811 -1.883 -19.371 1.00 52.31 H new ATOM 0 HA GLN A 16 -3.055 -3.422 -21.563 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -4.827 -2.104 -20.222 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -4.538 -0.795 -21.351 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -6.283 -1.932 -22.421 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -4.888 -2.644 -23.207 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -4.599 -4.753 -23.167 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -5.487 -5.907 -22.167 1.00 5.30 H new ATOM 257 N CYS A 17 -2.024 -0.425 -22.451 1.00 3.32 N ATOM 258 CA CYS A 17 -1.396 0.325 -23.525 1.00 24.21 C ATOM 259 C CYS A 17 0.062 0.587 -23.139 1.00 61.52 C ATOM 260 O CYS A 17 0.974 0.279 -23.905 1.00 14.11 O ATOM 261 CB CYS A 17 -2.148 1.623 -23.824 1.00 30.04 C ATOM 262 SG CYS A 17 -3.946 1.563 -23.486 1.00 4.14 S ATOM 0 H CYS A 17 -2.151 0.097 -21.584 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.429 -0.257 -24.446 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -1.708 2.426 -23.233 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -1.998 1.880 -24.873 1.00 30.04 H new ATOM 0 HG CYS A 17 -4.480 2.713 -23.772 1.00 4.14 H new ATOM 267 N HIS A 18 0.235 1.151 -21.953 1.00 62.50 N ATOM 268 CA HIS A 18 1.566 1.457 -21.457 1.00 4.04 C ATOM 269 C HIS A 18 2.410 0.181 -21.432 1.00 22.22 C ATOM 270 O HIS A 18 1.936 -0.889 -21.809 1.00 62.34 O ATOM 271 CB HIS A 18 1.492 2.146 -20.093 1.00 40.31 C ATOM 272 CG HIS A 18 0.897 3.533 -20.137 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.580 4.626 -20.642 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.322 3.993 -19.734 1.00 25.02 C ATOM 275 CE1 HIS A 18 0.798 5.690 -20.543 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.380 5.297 -19.979 1.00 53.31 N ATOM 0 H HIS A 18 -0.524 1.404 -21.321 1.00 62.50 H new ATOM 0 HA HIS A 18 2.056 2.162 -22.129 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.900 1.529 -19.417 1.00 40.31 H new ATOM 0 HB3 HIS A 18 2.496 2.206 -19.673 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.525 4.614 -21.025 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.107 3.398 -19.291 1.00 25.02 H new ATOM 0 HE1 HIS A 18 1.049 6.693 -20.854 1.00 64.43 H new ATOM 284 N THR A 19 3.647 0.338 -20.985 1.00 13.43 N ATOM 285 CA THR A 19 4.562 -0.788 -20.906 1.00 60.21 C ATOM 286 C THR A 19 5.703 -0.482 -19.933 1.00 32.10 C ATOM 287 O THR A 19 6.587 0.317 -20.239 1.00 32.41 O ATOM 288 CB THR A 19 5.042 -1.108 -22.323 1.00 74.25 C ATOM 289 OG1 THR A 19 5.209 0.171 -22.929 1.00 32.15 O ATOM 290 CG2 THR A 19 3.961 -1.784 -23.169 1.00 61.22 C ATOM 0 H THR A 19 4.037 1.228 -20.674 1.00 13.43 H new ATOM 0 HA THR A 19 4.066 -1.673 -20.508 1.00 60.21 H new ATOM 0 HB THR A 19 5.919 -1.754 -22.273 1.00 74.25 H new ATOM 0 HG1 THR A 19 5.521 0.058 -23.851 1.00 32.15 H new ATOM 0 HG21 THR A 19 4.354 -1.989 -24.165 1.00 61.22 H new ATOM 0 HG22 THR A 19 3.662 -2.720 -22.697 1.00 61.22 H new ATOM 0 HG23 THR A 19 3.096 -1.125 -23.249 1.00 61.22 H new ATOM 298 N VAL A 20 5.645 -1.132 -18.780 1.00 73.30 N ATOM 299 CA VAL A 20 6.662 -0.939 -17.760 1.00 62.41 C ATOM 300 C VAL A 20 7.828 -1.895 -18.021 1.00 42.31 C ATOM 301 O VAL A 20 8.282 -2.588 -17.113 1.00 23.32 O ATOM 302 CB VAL A 20 6.048 -1.111 -16.369 1.00 73.02 C ATOM 303 CG1 VAL A 20 5.182 0.094 -16.000 1.00 11.15 C ATOM 304 CG2 VAL A 20 5.245 -2.411 -16.282 1.00 54.03 C ATOM 0 H VAL A 20 4.910 -1.793 -18.529 1.00 73.30 H new ATOM 0 HA VAL A 20 7.058 0.076 -17.803 1.00 62.41 H new ATOM 0 HB VAL A 20 6.863 -1.171 -15.647 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.757 -0.053 -15.007 1.00 11.15 H new ATOM 0 HG12 VAL A 20 5.794 0.996 -16.003 1.00 11.15 H new ATOM 0 HG13 VAL A 20 4.377 0.199 -16.727 1.00 11.15 H new ATOM 0 HG21 VAL A 20 4.819 -2.509 -15.283 1.00 54.03 H new ATOM 0 HG22 VAL A 20 4.442 -2.393 -17.019 1.00 54.03 H new ATOM 0 HG23 VAL A 20 5.901 -3.258 -16.482 1.00 54.03 H new ATOM 314 N GLU A 21 8.279 -1.900 -19.267 1.00 2.20 N ATOM 315 CA GLU A 21 9.384 -2.759 -19.659 1.00 22.52 C ATOM 316 C GLU A 21 10.343 -2.003 -20.580 1.00 34.35 C ATOM 317 O GLU A 21 9.997 -1.684 -21.716 1.00 52.54 O ATOM 318 CB GLU A 21 8.874 -4.037 -20.329 1.00 61.35 C ATOM 319 CG GLU A 21 7.908 -3.710 -21.469 1.00 1.24 C ATOM 320 CD GLU A 21 7.041 -4.922 -21.818 1.00 73.45 C ATOM 321 OE1 GLU A 21 6.377 -5.484 -20.935 1.00 31.11 O ATOM 322 OE2 GLU A 21 7.073 -5.276 -23.058 1.00 44.15 O1- ATOM 0 H GLU A 21 7.900 -1.323 -20.018 1.00 2.20 H new ATOM 0 HA GLU A 21 9.928 -3.051 -18.761 1.00 22.52 H new ATOM 0 HB2 GLU A 21 9.717 -4.611 -20.715 1.00 61.35 H new ATOM 0 HB3 GLU A 21 8.373 -4.664 -19.591 1.00 61.35 H new ATOM 0 HG2 GLU A 21 7.271 -2.873 -21.182 1.00 1.24 H new ATOM 0 HG3 GLU A 21 8.470 -3.395 -22.348 1.00 1.24 H new ATOM 330 N LYS A 22 11.531 -1.738 -20.056 1.00 34.22 N ATOM 331 CA LYS A 22 12.543 -1.025 -20.817 1.00 44.40 C ATOM 332 C LYS A 22 12.538 -1.530 -22.261 1.00 4.32 C ATOM 333 O LYS A 22 12.744 -2.717 -22.509 1.00 2.32 O ATOM 334 CB LYS A 22 13.906 -1.137 -20.131 1.00 74.13 C ATOM 335 CG LYS A 22 15.040 -0.842 -21.115 1.00 50.22 C ATOM 336 CD LYS A 22 14.991 0.612 -21.588 1.00 63.22 C ATOM 337 CE LYS A 22 16.100 0.896 -22.604 1.00 63.42 C ATOM 338 NZ LYS A 22 15.968 0.003 -23.778 1.00 43.00 N1+ ATOM 0 H LYS A 22 11.815 -2.004 -19.113 1.00 34.22 H new ATOM 0 HA LYS A 22 12.315 0.040 -20.851 1.00 44.40 H new ATOM 0 HB2 LYS A 22 13.955 -0.440 -19.295 1.00 74.13 H new ATOM 0 HB3 LYS A 22 14.029 -2.139 -19.719 1.00 74.13 H new ATOM 0 HG2 LYS A 22 16.000 -1.041 -20.639 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.965 -1.510 -21.973 1.00 50.22 H new ATOM 0 HD2 LYS A 22 14.020 0.820 -22.037 1.00 63.22 H new ATOM 0 HD3 LYS A 22 15.096 1.280 -20.733 1.00 63.22 H new ATOM 0 HE2 LYS A 22 16.051 1.937 -22.924 1.00 63.42 H new ATOM 0 HE3 LYS A 22 17.075 0.752 -22.138 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 16.512 0.393 -24.574 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 16.333 -0.941 -23.539 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 14.966 -0.071 -24.047 1.00 43.00 H new ATOM 351 N GLY A 23 12.301 -0.602 -23.177 1.00 52.14 N ATOM 352 CA GLY A 23 12.266 -0.938 -24.591 1.00 30.32 C ATOM 353 C GLY A 23 10.825 -1.060 -25.090 1.00 2.14 C ATOM 354 O GLY A 23 10.587 -1.527 -26.203 1.00 23.14 O ATOM 0 H GLY A 23 12.131 0.382 -22.968 1.00 52.14 H new ATOM 0 HA2 GLY A 23 12.789 -0.172 -25.163 1.00 30.32 H new ATOM 0 HA3 GLY A 23 12.793 -1.877 -24.758 1.00 30.32 H new ATOM 358 N GLY A 24 9.901 -0.632 -24.243 1.00 32.53 N ATOM 359 CA GLY A 24 8.489 -0.688 -24.584 1.00 33.34 C ATOM 360 C GLY A 24 8.239 -0.108 -25.978 1.00 72.53 C ATOM 361 O GLY A 24 9.163 0.380 -26.626 1.00 13.20 O ATOM 0 H GLY A 24 10.102 -0.245 -23.321 1.00 32.53 H new ATOM 0 HA2 GLY A 24 8.143 -1.721 -24.548 1.00 33.34 H new ATOM 0 HA3 GLY A 24 7.910 -0.133 -23.846 1.00 33.34 H new ATOM 365 N LYS A 25 6.984 -0.180 -26.397 1.00 11.42 N ATOM 366 CA LYS A 25 6.600 0.332 -27.702 1.00 2.02 C ATOM 367 C LYS A 25 5.710 1.562 -27.520 1.00 31.52 C ATOM 368 O LYS A 25 5.197 1.807 -26.429 1.00 72.44 O ATOM 369 CB LYS A 25 5.959 -0.773 -28.543 1.00 24.30 C ATOM 370 CG LYS A 25 6.823 -2.036 -28.541 1.00 22.43 C ATOM 371 CD LYS A 25 7.798 -2.035 -29.720 1.00 53.42 C ATOM 372 CE LYS A 25 7.083 -2.398 -31.023 1.00 11.53 C ATOM 373 NZ LYS A 25 7.784 -1.801 -32.182 1.00 63.31 N1+ ATOM 0 H LYS A 25 6.220 -0.585 -25.856 1.00 11.42 H new ATOM 0 HA LYS A 25 7.479 0.655 -28.259 1.00 2.02 H new ATOM 0 HB2 LYS A 25 4.969 -1.005 -28.151 1.00 24.30 H new ATOM 0 HB3 LYS A 25 5.823 -0.423 -29.566 1.00 24.30 H new ATOM 0 HG2 LYS A 25 7.378 -2.100 -27.605 1.00 22.43 H new ATOM 0 HG3 LYS A 25 6.184 -2.918 -28.593 1.00 22.43 H new ATOM 0 HD2 LYS A 25 8.258 -1.051 -29.815 1.00 53.42 H new ATOM 0 HD3 LYS A 25 8.602 -2.746 -29.532 1.00 53.42 H new ATOM 0 HE2 LYS A 25 7.043 -3.482 -31.133 1.00 11.53 H new ATOM 0 HE3 LYS A 25 6.053 -2.043 -30.991 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 7.286 -2.057 -33.058 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 7.800 -0.766 -32.082 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 8.759 -2.160 -32.221 1.00 63.31 H new ATOM 386 N HIS A 26 5.552 2.305 -28.606 1.00 25.51 N ATOM 387 CA HIS A 26 4.732 3.504 -28.581 1.00 74.44 C ATOM 388 C HIS A 26 3.297 3.153 -28.980 1.00 45.22 C ATOM 389 O HIS A 26 2.662 3.887 -29.737 1.00 2.22 O ATOM 390 CB HIS A 26 5.341 4.598 -29.459 1.00 11.11 C ATOM 391 CG HIS A 26 6.403 5.420 -28.768 1.00 12.42 C ATOM 392 ND1 HIS A 26 6.823 5.167 -27.474 1.00 62.23 N ATOM 393 CD2 HIS A 26 7.125 6.492 -29.205 1.00 45.21 C ATOM 394 CE1 HIS A 26 7.755 6.054 -27.156 1.00 75.04 C ATOM 395 NE2 HIS A 26 7.940 6.874 -28.230 1.00 43.14 N ATOM 0 H HIS A 26 5.979 2.099 -29.509 1.00 25.51 H new ATOM 0 HA HIS A 26 4.702 3.907 -27.569 1.00 74.44 H new ATOM 0 HB2 HIS A 26 5.773 4.138 -30.348 1.00 11.11 H new ATOM 0 HB3 HIS A 26 4.546 5.262 -29.798 1.00 11.11 H new ATOM 0 HD2 HIS A 26 7.047 6.952 -30.179 1.00 45.21 H new ATOM 0 HE1 HIS A 26 8.276 6.116 -26.212 1.00 75.04 H new ATOM 0 HE2 HIS A 26 8.597 7.653 -28.276 1.00 43.14 H new ATOM 403 N LYS A 27 2.828 2.031 -28.454 1.00 44.03 N ATOM 404 CA LYS A 27 1.480 1.574 -28.746 1.00 53.42 C ATOM 405 C LYS A 27 0.480 2.663 -28.353 1.00 34.44 C ATOM 406 O LYS A 27 0.861 3.813 -28.141 1.00 33.44 O ATOM 407 CB LYS A 27 1.215 0.225 -28.076 1.00 74.10 C ATOM 408 CG LYS A 27 0.252 -0.622 -28.910 1.00 42.43 C ATOM 409 CD LYS A 27 0.793 -2.041 -29.101 1.00 54.03 C ATOM 410 CE LYS A 27 0.513 -2.904 -27.869 1.00 14.52 C ATOM 411 NZ LYS A 27 -0.911 -2.805 -27.480 1.00 5.14 N1+ ATOM 0 H LYS A 27 3.358 1.425 -27.827 1.00 44.03 H new ATOM 0 HA LYS A 27 1.360 1.402 -29.816 1.00 53.42 H new ATOM 0 HB2 LYS A 27 2.155 -0.311 -27.944 1.00 74.10 H new ATOM 0 HB3 LYS A 27 0.797 0.385 -27.082 1.00 74.10 H new ATOM 0 HG2 LYS A 27 -0.720 -0.663 -28.419 1.00 42.43 H new ATOM 0 HG3 LYS A 27 0.099 -0.154 -29.882 1.00 42.43 H new ATOM 0 HD2 LYS A 27 0.333 -2.494 -29.979 1.00 54.03 H new ATOM 0 HD3 LYS A 27 1.866 -2.003 -29.287 1.00 54.03 H new ATOM 0 HE2 LYS A 27 0.767 -3.943 -28.080 1.00 14.52 H new ATOM 0 HE3 LYS A 27 1.145 -2.583 -27.041 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 -1.189 -3.661 -26.958 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 -1.048 -1.970 -26.875 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 -1.499 -2.715 -28.333 1.00 5.14 H new ATOM 424 N THR A 28 -0.780 2.262 -28.268 1.00 74.51 N ATOM 425 CA THR A 28 -1.837 3.190 -27.904 1.00 2.42 C ATOM 426 C THR A 28 -1.353 4.151 -26.816 1.00 41.14 C ATOM 427 O THR A 28 -1.811 5.290 -26.740 1.00 32.05 O ATOM 428 CB THR A 28 -3.062 2.372 -27.490 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.479 1.737 -28.696 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.251 3.253 -27.103 1.00 32.01 C ATOM 0 H THR A 28 -1.093 1.307 -28.445 1.00 74.51 H new ATOM 0 HA THR A 28 -2.118 3.820 -28.748 1.00 2.42 H new ATOM 0 HB THR A 28 -2.801 1.726 -26.652 1.00 52.12 H new ATOM 0 HG1 THR A 28 -4.268 1.184 -28.519 1.00 43.31 H new ATOM 0 HG21 THR A 28 -5.093 2.623 -26.818 1.00 32.01 H new ATOM 0 HG22 THR A 28 -3.974 3.890 -26.263 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.535 3.875 -27.952 1.00 32.01 H new ATOM 438 N GLY A 29 -0.432 3.656 -26.002 1.00 64.54 N ATOM 439 CA GLY A 29 0.119 4.457 -24.922 1.00 55.30 C ATOM 440 C GLY A 29 1.649 4.431 -24.946 1.00 1.42 C ATOM 441 O GLY A 29 2.249 3.493 -25.469 1.00 41.14 O ATOM 0 H GLY A 29 -0.054 2.711 -26.069 1.00 64.54 H new ATOM 0 HA2 GLY A 29 -0.232 5.485 -25.011 1.00 55.30 H new ATOM 0 HA3 GLY A 29 -0.240 4.079 -23.965 1.00 55.30 H new ATOM 445 N PRO A 30 2.251 5.499 -24.359 1.00 74.54 N ATOM 446 CA PRO A 30 3.699 5.608 -24.308 1.00 74.11 C ATOM 447 C PRO A 30 4.284 4.658 -23.261 1.00 24.32 C ATOM 448 O PRO A 30 3.548 4.076 -22.466 1.00 24.23 O ATOM 449 CB PRO A 30 3.974 7.071 -24.003 1.00 41.30 C ATOM 450 CG PRO A 30 2.678 7.629 -23.436 1.00 54.01 C ATOM 451 CD PRO A 30 1.572 6.628 -23.729 1.00 12.13 C ATOM 0 HA PRO A 30 4.176 5.314 -25.243 1.00 74.11 H new ATOM 0 HB2 PRO A 30 4.790 7.174 -23.288 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.270 7.609 -24.904 1.00 41.30 H new ATOM 0 HG2 PRO A 30 2.770 7.793 -22.362 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.448 8.594 -23.887 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.061 6.323 -22.815 1.00 12.13 H new ATOM 0 HD3 PRO A 30 0.817 7.054 -24.389 1.00 12.13 H new ATOM 459 N ASN A 31 5.603 4.533 -23.294 1.00 21.33 N ATOM 460 CA ASN A 31 6.295 3.664 -22.357 1.00 33.24 C ATOM 461 C ASN A 31 6.291 4.310 -20.970 1.00 11.33 C ATOM 462 O ASN A 31 6.162 5.527 -20.849 1.00 70.42 O ATOM 463 CB ASN A 31 7.752 3.452 -22.775 1.00 44.34 C ATOM 464 CG ASN A 31 8.547 2.767 -21.663 1.00 45.33 C ATOM 465 OD1 ASN A 31 9.269 3.392 -20.904 1.00 35.40 O ATOM 466 ND2 ASN A 31 8.376 1.449 -21.609 1.00 71.13 N ATOM 0 H ASN A 31 6.210 5.019 -23.954 1.00 21.33 H new ATOM 0 HA ASN A 31 5.780 2.704 -22.345 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.790 2.846 -23.680 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.209 4.412 -23.015 1.00 44.34 H new ATOM 0 HD21 ASN A 31 8.864 0.900 -20.902 1.00 71.13 H new ATOM 0 HD22 ASN A 31 7.757 0.987 -22.275 1.00 71.13 H new ATOM 473 N LEU A 32 6.432 3.466 -19.959 1.00 25.52 N ATOM 474 CA LEU A 32 6.446 3.939 -18.585 1.00 3.12 C ATOM 475 C LEU A 32 7.653 3.345 -17.857 1.00 43.31 C ATOM 476 O LEU A 32 7.497 2.645 -16.858 1.00 21.41 O ATOM 477 CB LEU A 32 5.109 3.642 -17.903 1.00 53.22 C ATOM 478 CG LEU A 32 3.907 4.446 -18.404 1.00 2.33 C ATOM 479 CD1 LEU A 32 2.655 4.129 -17.583 1.00 33.31 C ATOM 480 CD2 LEU A 32 4.218 5.944 -18.420 1.00 64.04 C ATOM 0 H LEU A 32 6.538 2.457 -20.064 1.00 25.52 H new ATOM 0 HA LEU A 32 6.559 5.023 -18.557 1.00 3.12 H new ATOM 0 HB2 LEU A 32 4.889 2.582 -18.026 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.221 3.822 -16.834 1.00 53.22 H new ATOM 0 HG LEU A 32 3.701 4.149 -19.432 1.00 2.33 H new ATOM 0 HD11 LEU A 32 1.815 4.713 -17.959 1.00 33.31 H new ATOM 0 HD12 LEU A 32 2.424 3.067 -17.667 1.00 33.31 H new ATOM 0 HD13 LEU A 32 2.832 4.381 -16.537 1.00 33.31 H new ATOM 0 HD21 LEU A 32 3.348 6.492 -18.780 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.464 6.275 -17.411 1.00 64.04 H new ATOM 0 HD23 LEU A 32 5.064 6.133 -19.080 1.00 64.04 H new ATOM 492 N HIS A 33 8.830 3.645 -18.387 1.00 23.30 N ATOM 493 CA HIS A 33 10.063 3.149 -17.801 1.00 74.15 C ATOM 494 C HIS A 33 10.975 4.327 -17.451 1.00 20.01 C ATOM 495 O HIS A 33 11.796 4.745 -18.267 1.00 41.10 O ATOM 496 CB HIS A 33 10.735 2.133 -18.727 1.00 31.34 C ATOM 497 CG HIS A 33 11.887 1.391 -18.092 1.00 51.32 C ATOM 498 ND1 HIS A 33 13.173 1.902 -18.045 1.00 11.24 N ATOM 499 CD2 HIS A 33 11.933 0.174 -17.479 1.00 72.42 C ATOM 500 CE1 HIS A 33 13.949 1.022 -17.429 1.00 33.45 C ATOM 501 NE2 HIS A 33 13.180 -0.048 -17.080 1.00 33.01 N ATOM 0 H HIS A 33 8.955 4.226 -19.216 1.00 23.30 H new ATOM 0 HA HIS A 33 9.842 2.618 -16.875 1.00 74.15 H new ATOM 0 HB2 HIS A 33 9.989 1.410 -19.059 1.00 31.34 H new ATOM 0 HB3 HIS A 33 11.095 2.650 -19.616 1.00 31.34 H new ATOM 0 HD2 HIS A 33 11.097 -0.496 -17.341 1.00 72.42 H new ATOM 0 HE1 HIS A 33 15.006 1.133 -17.237 1.00 33.45 H new ATOM 0 HE2 HIS A 33 13.508 -0.882 -16.593 1.00 33.01 H new ATOM 509 N GLY A 34 10.801 4.828 -16.237 1.00 13.14 N ATOM 510 CA GLY A 34 11.598 5.950 -15.770 1.00 20.04 C ATOM 511 C GLY A 34 10.844 7.270 -15.947 1.00 32.42 C ATOM 512 O GLY A 34 11.454 8.338 -15.974 1.00 44.34 O ATOM 0 H GLY A 34 10.120 4.478 -15.563 1.00 13.14 H new ATOM 0 HA2 GLY A 34 11.850 5.809 -14.719 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.538 5.987 -16.321 1.00 20.04 H new ATOM 516 N LEU A 35 9.530 7.153 -16.063 1.00 32.24 N ATOM 517 CA LEU A 35 8.687 8.323 -16.237 1.00 31.25 C ATOM 518 C LEU A 35 8.788 9.209 -14.993 1.00 52.04 C ATOM 519 O LEU A 35 8.508 10.405 -15.054 1.00 22.11 O ATOM 520 CB LEU A 35 7.255 7.907 -16.580 1.00 41.23 C ATOM 521 CG LEU A 35 6.185 8.989 -16.420 1.00 31.03 C ATOM 522 CD1 LEU A 35 6.017 9.788 -17.714 1.00 5.42 C ATOM 523 CD2 LEU A 35 4.862 8.385 -15.943 1.00 1.05 C ATOM 0 H LEU A 35 9.028 6.265 -16.040 1.00 32.24 H new ATOM 0 HA LEU A 35 9.033 8.918 -17.082 1.00 31.25 H new ATOM 0 HB2 LEU A 35 7.237 7.556 -17.612 1.00 41.23 H new ATOM 0 HB3 LEU A 35 6.983 7.060 -15.950 1.00 41.23 H new ATOM 0 HG LEU A 35 6.516 9.687 -15.651 1.00 31.03 H new ATOM 0 HD11 LEU A 35 5.251 10.551 -17.574 1.00 5.42 H new ATOM 0 HD12 LEU A 35 6.962 10.266 -17.972 1.00 5.42 H new ATOM 0 HD13 LEU A 35 5.718 9.117 -18.520 1.00 5.42 H new ATOM 0 HD21 LEU A 35 4.119 9.175 -15.837 1.00 1.05 H new ATOM 0 HD22 LEU A 35 4.513 7.653 -16.671 1.00 1.05 H new ATOM 0 HD23 LEU A 35 5.011 7.896 -14.980 1.00 1.05 H new ATOM 535 N PHE A 36 9.190 8.587 -13.895 1.00 20.52 N ATOM 536 CA PHE A 36 9.332 9.304 -12.639 1.00 73.41 C ATOM 537 C PHE A 36 10.673 10.038 -12.575 1.00 62.01 C ATOM 538 O PHE A 36 11.724 9.410 -12.458 1.00 45.32 O ATOM 539 CB PHE A 36 9.282 8.261 -11.520 1.00 3.55 C ATOM 540 CG PHE A 36 7.936 7.543 -11.399 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.631 6.523 -12.244 1.00 21.25 C ATOM 542 CD2 PHE A 36 7.046 7.926 -10.445 1.00 55.31 C ATOM 543 CE1 PHE A 36 6.382 5.857 -12.131 1.00 11.12 C ATOM 544 CE2 PHE A 36 5.796 7.260 -10.332 1.00 43.54 C ATOM 545 CZ PHE A 36 5.491 6.240 -11.178 1.00 24.50 C ATOM 0 H PHE A 36 9.422 7.595 -13.849 1.00 20.52 H new ATOM 0 HA PHE A 36 8.538 10.044 -12.542 1.00 73.41 H new ATOM 0 HB2 PHE A 36 10.063 7.521 -11.692 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.509 8.749 -10.572 1.00 3.55 H new ATOM 0 HD1 PHE A 36 8.339 6.219 -13.001 1.00 21.25 H new ATOM 0 HD2 PHE A 36 7.289 8.736 -9.773 1.00 55.31 H new ATOM 0 HE1 PHE A 36 6.140 5.046 -12.802 1.00 11.12 H new ATOM 0 HE2 PHE A 36 5.089 7.564 -9.575 1.00 43.54 H new ATOM 0 HZ PHE A 36 4.541 5.734 -11.093 1.00 24.50 H new ATOM 555 N GLY A 37 10.593 11.358 -12.655 1.00 72.03 N ATOM 556 CA GLY A 37 11.787 12.185 -12.609 1.00 54.23 C ATOM 557 C GLY A 37 12.197 12.636 -14.012 1.00 11.10 C ATOM 558 O GLY A 37 13.383 12.802 -14.292 1.00 34.13 O ATOM 0 H GLY A 37 9.719 11.876 -12.751 1.00 72.03 H new ATOM 0 HA2 GLY A 37 11.605 13.058 -11.981 1.00 54.23 H new ATOM 0 HA3 GLY A 37 12.603 11.627 -12.150 1.00 54.23 H new ATOM 562 N ARG A 38 11.193 12.820 -14.857 1.00 20.32 N ATOM 563 CA ARG A 38 11.435 13.248 -16.224 1.00 21.31 C ATOM 564 C ARG A 38 10.302 14.158 -16.703 1.00 12.13 C ATOM 565 O ARG A 38 9.208 14.142 -16.142 1.00 64.01 O ATOM 566 CB ARG A 38 11.548 12.047 -17.165 1.00 72.11 C ATOM 567 CG ARG A 38 10.244 11.248 -17.193 1.00 4.21 C ATOM 568 CD ARG A 38 10.058 10.549 -18.542 1.00 70.22 C ATOM 569 NE ARG A 38 10.891 9.327 -18.598 1.00 24.34 N ATOM 570 CZ ARG A 38 10.617 8.259 -19.376 1.00 4.41 C ATOM 571 NH1 ARG A 38 9.526 8.253 -20.172 1.00 32.22 N ATOM 572 NH2 ARG A 38 11.431 7.220 -19.347 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.210 12.680 -14.621 1.00 20.32 H new ATOM 0 HA ARG A 38 12.377 13.796 -16.239 1.00 21.31 H new ATOM 0 HB2 ARG A 38 11.790 12.390 -18.171 1.00 72.11 H new ATOM 0 HB3 ARG A 38 12.366 11.403 -16.842 1.00 72.11 H new ATOM 0 HG2 ARG A 38 10.250 10.507 -16.393 1.00 4.21 H new ATOM 0 HG3 ARG A 38 9.401 11.913 -17.005 1.00 4.21 H new ATOM 0 HD2 ARG A 38 9.009 10.291 -18.685 1.00 70.22 H new ATOM 0 HD3 ARG A 38 10.334 11.224 -19.352 1.00 70.22 H new ATOM 0 HE ARG A 38 11.725 9.290 -18.012 1.00 24.34 H new ATOM 0 HH11 ARG A 38 8.902 9.060 -20.188 1.00 32.22 H new ATOM 0 HH12 ARG A 38 9.326 7.442 -20.757 1.00 32.22 H new ATOM 0 HH21 ARG A 38 12.253 7.233 -18.743 1.00 41.32 H new ATOM 0 HH22 ARG A 38 11.238 6.405 -19.929 1.00 41.32 H new ATOM 585 N LYS A 39 10.604 14.931 -17.736 1.00 13.22 N ATOM 586 CA LYS A 39 9.624 15.846 -18.298 1.00 74.33 C ATOM 587 C LYS A 39 8.687 15.075 -19.229 1.00 3.51 C ATOM 588 O LYS A 39 8.962 13.929 -19.582 1.00 62.53 O ATOM 589 CB LYS A 39 10.322 17.031 -18.970 1.00 1.41 C ATOM 590 CG LYS A 39 10.900 17.990 -17.928 1.00 54.01 C ATOM 591 CD LYS A 39 11.794 17.246 -16.934 1.00 44.05 C ATOM 592 CE LYS A 39 12.682 18.221 -16.159 1.00 41.14 C ATOM 593 NZ LYS A 39 13.864 17.520 -15.609 1.00 34.23 N1+ ATOM 0 H LYS A 39 11.513 14.943 -18.199 1.00 13.22 H new ATOM 0 HA LYS A 39 9.006 16.275 -17.509 1.00 74.33 H new ATOM 0 HB2 LYS A 39 11.120 16.668 -19.617 1.00 1.41 H new ATOM 0 HB3 LYS A 39 9.613 17.563 -19.605 1.00 1.41 H new ATOM 0 HG2 LYS A 39 11.475 18.770 -18.426 1.00 54.01 H new ATOM 0 HG3 LYS A 39 10.089 18.484 -17.394 1.00 54.01 H new ATOM 0 HD2 LYS A 39 11.176 16.679 -16.238 1.00 44.05 H new ATOM 0 HD3 LYS A 39 12.416 16.527 -17.467 1.00 44.05 H new ATOM 0 HE2 LYS A 39 13.004 19.029 -16.815 1.00 41.14 H new ATOM 0 HE3 LYS A 39 12.112 18.676 -15.349 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 14.456 18.196 -15.086 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 13.552 16.764 -14.967 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 14.416 17.107 -16.388 1.00 34.23 H new ATOM 606 N THR A 40 7.599 15.734 -19.599 1.00 65.31 N ATOM 607 CA THR A 40 6.619 15.125 -20.483 1.00 31.43 C ATOM 608 C THR A 40 6.972 15.405 -21.945 1.00 44.43 C ATOM 609 O THR A 40 7.923 16.131 -22.229 1.00 33.44 O ATOM 610 CB THR A 40 5.236 15.641 -20.082 1.00 11.21 C ATOM 611 OG1 THR A 40 5.298 17.040 -20.345 1.00 13.44 O ATOM 612 CG2 THR A 40 4.993 15.556 -18.573 1.00 70.11 C ATOM 0 H THR A 40 7.374 16.684 -19.303 1.00 65.31 H new ATOM 0 HA THR A 40 6.618 14.039 -20.384 1.00 31.43 H new ATOM 0 HB THR A 40 4.470 15.069 -20.605 1.00 11.21 H new ATOM 0 HG1 THR A 40 4.450 17.337 -20.735 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.997 15.935 -18.343 1.00 70.11 H new ATOM 0 HG22 THR A 40 5.070 14.518 -18.250 1.00 70.11 H new ATOM 0 HG23 THR A 40 5.739 16.155 -18.050 1.00 70.11 H new ATOM 620 N GLY A 41 6.187 14.814 -22.833 1.00 74.22 N ATOM 621 CA GLY A 41 6.404 14.991 -24.259 1.00 71.51 C ATOM 622 C GLY A 41 7.885 14.834 -24.611 1.00 41.34 C ATOM 623 O GLY A 41 8.409 15.568 -25.447 1.00 43.02 O ATOM 0 H GLY A 41 5.399 14.212 -22.593 1.00 74.22 H new ATOM 0 HA2 GLY A 41 5.815 14.261 -24.814 1.00 71.51 H new ATOM 0 HA3 GLY A 41 6.057 15.978 -24.564 1.00 71.51 H new ATOM 627 N GLN A 42 8.517 13.871 -23.956 1.00 44.12 N ATOM 628 CA GLN A 42 9.927 13.609 -24.190 1.00 73.11 C ATOM 629 C GLN A 42 10.095 12.455 -25.181 1.00 50.22 C ATOM 630 O GLN A 42 10.904 12.537 -26.104 1.00 50.14 O ATOM 631 CB GLN A 42 10.655 13.314 -22.877 1.00 52.53 C ATOM 632 CG GLN A 42 10.721 14.562 -21.995 1.00 41.42 C ATOM 633 CD GLN A 42 11.263 15.759 -22.778 1.00 13.22 C ATOM 634 OE1 GLN A 42 12.455 16.016 -22.824 1.00 42.03 O ATOM 635 NE2 GLN A 42 10.324 16.475 -23.391 1.00 33.53 N ATOM 0 H GLN A 42 8.079 13.263 -23.264 1.00 44.12 H new ATOM 0 HA GLN A 42 10.376 14.503 -24.623 1.00 73.11 H new ATOM 0 HB2 GLN A 42 10.141 12.514 -22.344 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.664 12.960 -23.088 1.00 52.53 H new ATOM 0 HG2 GLN A 42 9.727 14.794 -21.612 1.00 41.42 H new ATOM 0 HG3 GLN A 42 11.358 14.369 -21.132 1.00 41.42 H new ATOM 0 HE21 GLN A 42 9.344 16.205 -23.312 1.00 33.53 H new ATOM 0 HE22 GLN A 42 10.585 17.294 -23.940 1.00 33.53 H new ATOM 644 N ALA A 43 9.317 11.406 -24.956 1.00 21.43 N ATOM 645 CA ALA A 43 9.370 10.237 -25.817 1.00 13.43 C ATOM 646 C ALA A 43 9.526 10.687 -27.271 1.00 25.42 C ATOM 647 O ALA A 43 8.550 11.073 -27.913 1.00 21.44 O ATOM 648 CB ALA A 43 8.116 9.387 -25.601 1.00 52.04 C ATOM 0 H ALA A 43 8.647 11.342 -24.190 1.00 21.43 H new ATOM 0 HA ALA A 43 10.231 9.616 -25.570 1.00 13.43 H new ATOM 0 HB1 ALA A 43 8.155 8.510 -26.247 1.00 52.04 H new ATOM 0 HB2 ALA A 43 8.067 9.069 -24.560 1.00 52.04 H new ATOM 0 HB3 ALA A 43 7.231 9.976 -25.843 1.00 52.04 H new ATOM 654 N PRO A 44 10.793 10.620 -27.761 1.00 54.23 N ATOM 655 CA PRO A 44 11.089 11.016 -29.127 1.00 32.32 C ATOM 656 C PRO A 44 10.612 9.956 -30.121 1.00 45.34 C ATOM 657 O PRO A 44 10.823 8.762 -29.910 1.00 73.41 O ATOM 658 CB PRO A 44 12.594 11.226 -29.158 1.00 53.35 C ATOM 659 CG PRO A 44 13.142 10.495 -27.944 1.00 23.34 C ATOM 660 CD PRO A 44 11.973 10.168 -27.029 1.00 50.12 C ATOM 0 HA PRO A 44 10.567 11.926 -29.424 1.00 32.32 H new ATOM 0 HB2 PRO A 44 13.024 10.832 -30.078 1.00 53.35 H new ATOM 0 HB3 PRO A 44 12.841 12.287 -29.120 1.00 53.35 H new ATOM 0 HG2 PRO A 44 13.656 9.583 -28.248 1.00 23.34 H new ATOM 0 HG3 PRO A 44 13.873 11.114 -27.423 1.00 23.34 H new ATOM 0 HD2 PRO A 44 11.923 9.100 -26.817 1.00 50.12 H new ATOM 0 HD3 PRO A 44 12.065 10.679 -26.071 1.00 50.12 H new ATOM 668 N GLY A 45 9.979 10.429 -31.184 1.00 22.12 N ATOM 669 CA GLY A 45 9.470 9.536 -32.212 1.00 73.44 C ATOM 670 C GLY A 45 8.100 8.977 -31.823 1.00 55.25 C ATOM 671 O GLY A 45 7.757 7.854 -32.189 1.00 72.31 O ATOM 0 H GLY A 45 9.807 11.419 -31.356 1.00 22.12 H new ATOM 0 HA2 GLY A 45 9.393 10.071 -33.158 1.00 73.44 H new ATOM 0 HA3 GLY A 45 10.171 8.716 -32.366 1.00 73.44 H new ATOM 675 N TYR A 46 7.353 9.787 -31.088 1.00 11.53 N ATOM 676 CA TYR A 46 6.027 9.388 -30.646 1.00 1.24 C ATOM 677 C TYR A 46 4.963 10.364 -31.153 1.00 3.31 C ATOM 678 O TYR A 46 5.283 11.480 -31.561 1.00 11.32 O ATOM 679 CB TYR A 46 6.060 9.437 -29.117 1.00 41.13 C ATOM 680 CG TYR A 46 4.830 8.820 -28.449 1.00 1.24 C ATOM 681 CD1 TYR A 46 4.232 7.704 -28.999 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.317 9.380 -27.296 1.00 52.02 C ATOM 683 CE1 TYR A 46 3.074 7.124 -28.369 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.159 8.800 -26.667 1.00 32.21 C ATOM 685 CZ TYR A 46 2.595 7.700 -27.235 1.00 34.24 C ATOM 686 OH TYR A 46 1.501 7.152 -26.641 1.00 1.12 O ATOM 0 H TYR A 46 7.640 10.718 -30.787 1.00 11.53 H new ATOM 0 HA TYR A 46 5.777 8.398 -31.027 1.00 1.24 H new ATOM 0 HB2 TYR A 46 6.951 8.916 -28.766 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.151 10.475 -28.799 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.632 7.266 -29.901 1.00 44.14 H new ATOM 0 HD2 TYR A 46 4.784 10.253 -26.866 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.597 6.251 -28.788 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.748 9.228 -25.765 1.00 32.21 H new ATOM 0 HH TYR A 46 1.347 6.254 -27.003 1.00 1.12 H new ATOM 696 N SER A 47 3.720 9.908 -31.111 1.00 12.14 N ATOM 697 CA SER A 47 2.607 10.727 -31.561 1.00 63.25 C ATOM 698 C SER A 47 1.851 11.290 -30.355 1.00 53.23 C ATOM 699 O SER A 47 0.621 11.316 -30.347 1.00 5.24 O ATOM 700 CB SER A 47 1.660 9.925 -32.455 1.00 53.34 C ATOM 701 OG SER A 47 1.138 10.713 -33.522 1.00 2.34 O ATOM 0 H SER A 47 3.459 8.982 -30.772 1.00 12.14 H new ATOM 0 HA SER A 47 3.005 11.553 -32.150 1.00 63.25 H new ATOM 0 HB2 SER A 47 2.190 9.065 -32.865 1.00 53.34 H new ATOM 0 HB3 SER A 47 0.837 9.536 -31.855 1.00 53.34 H new ATOM 0 HG SER A 47 0.539 10.165 -34.071 1.00 2.34 H new ATOM 707 N TYR A 48 2.618 11.726 -29.367 1.00 51.45 N ATOM 708 CA TYR A 48 2.035 12.286 -28.159 1.00 53.45 C ATOM 709 C TYR A 48 0.844 13.187 -28.492 1.00 22.32 C ATOM 710 O TYR A 48 0.680 13.608 -29.636 1.00 41.51 O ATOM 711 CB TYR A 48 3.135 13.133 -27.515 1.00 50.11 C ATOM 712 CG TYR A 48 3.878 12.427 -26.379 1.00 52.33 C ATOM 713 CD1 TYR A 48 3.172 11.721 -25.426 1.00 54.41 C ATOM 714 CD2 TYR A 48 5.254 12.497 -26.306 1.00 33.34 C ATOM 715 CE1 TYR A 48 3.871 11.057 -24.357 1.00 15.30 C ATOM 716 CE2 TYR A 48 5.954 11.833 -25.237 1.00 74.44 C ATOM 717 CZ TYR A 48 5.228 11.146 -24.315 1.00 60.15 C ATOM 718 OH TYR A 48 5.888 10.519 -23.305 1.00 3.35 O ATOM 0 H TYR A 48 3.638 11.703 -29.378 1.00 51.45 H new ATOM 0 HA TYR A 48 1.678 11.493 -27.502 1.00 53.45 H new ATOM 0 HB2 TYR A 48 3.854 13.421 -28.282 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.694 14.052 -27.131 1.00 50.11 H new ATOM 0 HD1 TYR A 48 2.095 11.667 -25.482 1.00 54.41 H new ATOM 0 HD2 TYR A 48 5.806 13.050 -27.051 1.00 33.34 H new ATOM 0 HE1 TYR A 48 3.331 10.501 -23.605 1.00 15.30 H new ATOM 0 HE2 TYR A 48 7.031 11.880 -25.169 1.00 74.44 H new ATOM 0 HH TYR A 48 6.852 10.667 -23.403 1.00 3.35 H new ATOM 728 N THR A 49 0.043 13.456 -27.471 1.00 35.11 N ATOM 729 CA THR A 49 -1.128 14.299 -27.641 1.00 64.22 C ATOM 730 C THR A 49 -0.746 15.775 -27.515 1.00 54.14 C ATOM 731 O THR A 49 0.233 16.112 -26.851 1.00 75.51 O ATOM 732 CB THR A 49 -2.181 13.855 -26.624 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.591 14.152 -25.361 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.369 12.337 -26.600 1.00 63.01 C ATOM 0 H THR A 49 0.182 13.105 -26.523 1.00 35.11 H new ATOM 0 HA THR A 49 -1.552 14.190 -28.639 1.00 64.22 H new ATOM 0 HB THR A 49 -3.132 14.335 -26.854 1.00 13.11 H new ATOM 0 HG1 THR A 49 -2.208 13.897 -24.644 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.127 12.076 -25.861 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.688 11.994 -27.584 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.426 11.858 -26.337 1.00 63.01 H new ATOM 742 N ALA A 50 -1.538 16.616 -28.164 1.00 24.34 N ATOM 743 CA ALA A 50 -1.295 18.048 -28.133 1.00 24.32 C ATOM 744 C ALA A 50 -1.393 18.546 -26.690 1.00 54.32 C ATOM 745 O ALA A 50 -0.959 19.655 -26.381 1.00 62.11 O ATOM 746 CB ALA A 50 -2.285 18.754 -29.062 1.00 42.13 C ATOM 0 H ALA A 50 -2.349 16.333 -28.714 1.00 24.34 H new ATOM 0 HA ALA A 50 -0.291 18.275 -28.493 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -2.103 19.828 -29.039 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -2.155 18.386 -30.080 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -3.303 18.551 -28.730 1.00 42.13 H new ATOM 752 N ALA A 51 -1.966 17.703 -25.844 1.00 13.53 N ATOM 753 CA ALA A 51 -2.127 18.044 -24.440 1.00 20.33 C ATOM 754 C ALA A 51 -0.981 17.426 -23.635 1.00 71.23 C ATOM 755 O ALA A 51 -0.744 17.810 -22.491 1.00 42.11 O ATOM 756 CB ALA A 51 -3.500 17.576 -23.955 1.00 31.52 C ATOM 0 H ALA A 51 -2.325 16.784 -26.103 1.00 13.53 H new ATOM 0 HA ALA A 51 -2.083 19.124 -24.300 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -3.621 17.832 -22.902 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.279 18.066 -24.539 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -3.580 16.496 -24.078 1.00 31.52 H new ATOM 762 N ASN A 52 -0.302 16.479 -24.265 1.00 33.55 N ATOM 763 CA ASN A 52 0.813 15.804 -23.622 1.00 3.30 C ATOM 764 C ASN A 52 1.966 16.793 -23.440 1.00 32.21 C ATOM 765 O ASN A 52 2.713 16.708 -22.467 1.00 0.33 O ATOM 766 CB ASN A 52 1.318 14.640 -24.476 1.00 62.11 C ATOM 767 CG ASN A 52 2.477 13.917 -23.786 1.00 74.35 C ATOM 768 OD1 ASN A 52 3.611 13.938 -24.234 1.00 73.55 O ATOM 769 ND2 ASN A 52 2.129 13.276 -22.674 1.00 24.25 N ATOM 0 H ASN A 52 -0.502 16.163 -25.214 1.00 33.55 H new ATOM 0 HA ASN A 52 0.468 15.423 -22.661 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.504 13.938 -24.659 1.00 62.11 H new ATOM 0 HB3 ASN A 52 1.643 15.011 -25.448 1.00 62.11 H new ATOM 0 HD21 ASN A 52 2.830 12.762 -22.141 1.00 24.25 H new ATOM 0 HD22 ASN A 52 1.161 13.299 -22.354 1.00 24.25 H new ATOM 776 N LYS A 53 2.074 17.708 -24.392 1.00 51.52 N ATOM 777 CA LYS A 53 3.124 18.712 -24.350 1.00 63.12 C ATOM 778 C LYS A 53 2.603 19.957 -23.629 1.00 71.04 C ATOM 779 O LYS A 53 3.326 20.574 -22.848 1.00 34.03 O ATOM 780 CB LYS A 53 3.654 18.993 -25.757 1.00 51.14 C ATOM 781 CG LYS A 53 4.020 17.692 -26.475 1.00 72.33 C ATOM 782 CD LYS A 53 2.906 17.262 -27.431 1.00 61.33 C ATOM 783 CE LYS A 53 3.173 17.771 -28.849 1.00 25.12 C ATOM 784 NZ LYS A 53 4.214 16.952 -29.507 1.00 11.21 N1+ ATOM 0 H LYS A 53 1.452 17.775 -25.197 1.00 51.52 H new ATOM 0 HA LYS A 53 3.978 18.346 -23.780 1.00 63.12 H new ATOM 0 HB2 LYS A 53 2.901 19.531 -26.333 1.00 51.14 H new ATOM 0 HB3 LYS A 53 4.530 19.639 -25.697 1.00 51.14 H new ATOM 0 HG2 LYS A 53 4.948 17.827 -27.030 1.00 72.33 H new ATOM 0 HG3 LYS A 53 4.199 16.906 -25.742 1.00 72.33 H new ATOM 0 HD2 LYS A 53 2.829 16.175 -27.440 1.00 61.33 H new ATOM 0 HD3 LYS A 53 1.950 17.647 -27.077 1.00 61.33 H new ATOM 0 HE2 LYS A 53 2.253 17.738 -29.433 1.00 25.12 H new ATOM 0 HE3 LYS A 53 3.490 18.813 -28.814 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 4.739 17.538 -30.187 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 4.870 16.583 -28.790 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 3.766 16.158 -30.008 1.00 11.21 H new ATOM 797 N ASN A 54 1.353 20.290 -23.917 1.00 23.11 N ATOM 798 CA ASN A 54 0.728 21.450 -23.306 1.00 62.43 C ATOM 799 C ASN A 54 1.079 21.488 -21.817 1.00 74.05 C ATOM 800 O ASN A 54 1.769 22.398 -21.361 1.00 24.23 O ATOM 801 CB ASN A 54 -0.795 21.385 -23.431 1.00 40.12 C ATOM 802 CG ASN A 54 -1.406 22.788 -23.440 1.00 73.51 C ATOM 803 OD1 ASN A 54 -1.291 23.549 -22.494 1.00 23.41 O ATOM 804 ND2 ASN A 54 -2.060 23.086 -24.559 1.00 32.23 N ATOM 0 H ASN A 54 0.757 19.776 -24.566 1.00 23.11 H new ATOM 0 HA ASN A 54 1.094 22.339 -23.819 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -1.066 20.861 -24.347 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -1.207 20.811 -22.601 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -2.503 23.999 -24.663 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -2.118 22.402 -25.313 1.00 32.23 H new ATOM 811 N LYS A 55 0.586 20.489 -21.100 1.00 72.24 N ATOM 812 CA LYS A 55 0.839 20.397 -19.672 1.00 1.14 C ATOM 813 C LYS A 55 2.293 20.778 -19.390 1.00 53.42 C ATOM 814 O LYS A 55 2.570 21.878 -18.916 1.00 12.22 O ATOM 815 CB LYS A 55 0.453 19.012 -19.148 1.00 73.04 C ATOM 816 CG LYS A 55 -1.038 18.949 -18.812 1.00 64.50 C ATOM 817 CD LYS A 55 -1.392 19.937 -17.699 1.00 75.50 C ATOM 818 CE LYS A 55 -0.318 19.942 -16.609 1.00 64.34 C ATOM 819 NZ LYS A 55 0.759 20.898 -16.947 1.00 3.42 N1+ ATOM 0 H LYS A 55 0.013 19.736 -21.481 1.00 72.24 H new ATOM 0 HA LYS A 55 0.213 21.104 -19.128 1.00 1.14 H new ATOM 0 HB2 LYS A 55 0.693 18.256 -19.896 1.00 73.04 H new ATOM 0 HB3 LYS A 55 1.040 18.779 -18.260 1.00 73.04 H new ATOM 0 HG2 LYS A 55 -1.625 19.174 -19.703 1.00 64.50 H new ATOM 0 HG3 LYS A 55 -1.302 17.938 -18.503 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.496 20.938 -18.116 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -2.355 19.671 -17.264 1.00 75.50 H new ATOM 0 HE2 LYS A 55 -0.764 20.212 -15.652 1.00 64.34 H new ATOM 0 HE3 LYS A 55 0.098 18.941 -16.496 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 1.610 20.374 -17.236 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 0.447 21.510 -17.728 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 0.978 21.483 -16.115 1.00 3.42 H new ATOM 832 N GLY A 56 3.185 19.846 -19.694 1.00 41.10 N ATOM 833 CA GLY A 56 4.605 20.071 -19.480 1.00 23.55 C ATOM 834 C GLY A 56 4.920 20.198 -17.988 1.00 73.03 C ATOM 835 O GLY A 56 5.363 21.251 -17.532 1.00 71.12 O ATOM 0 H GLY A 56 2.952 18.934 -20.087 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.176 19.247 -19.907 1.00 23.55 H new ATOM 0 HA3 GLY A 56 4.916 20.977 -20.000 1.00 23.55 H new ATOM 839 N ILE A 57 4.679 19.112 -17.269 1.00 34.25 N ATOM 840 CA ILE A 57 4.932 19.089 -15.839 1.00 4.20 C ATOM 841 C ILE A 57 5.929 17.973 -15.519 1.00 44.42 C ATOM 842 O ILE A 57 6.311 17.206 -16.401 1.00 10.04 O ATOM 843 CB ILE A 57 3.617 18.980 -15.064 1.00 10.34 C ATOM 844 CG1 ILE A 57 2.603 18.122 -15.823 1.00 23.30 C ATOM 845 CG2 ILE A 57 3.060 20.366 -14.731 1.00 35.13 C ATOM 846 CD1 ILE A 57 3.030 16.653 -15.837 1.00 51.13 C ATOM 0 H ILE A 57 4.311 18.241 -17.651 1.00 34.25 H new ATOM 0 HA ILE A 57 5.388 20.026 -15.518 1.00 4.20 H new ATOM 0 HB ILE A 57 3.819 18.478 -14.118 1.00 10.34 H new ATOM 0 HG12 ILE A 57 1.622 18.215 -15.357 1.00 23.30 H new ATOM 0 HG13 ILE A 57 2.506 18.486 -16.846 1.00 23.30 H new ATOM 0 HG21 ILE A 57 2.125 20.260 -14.180 1.00 35.13 H new ATOM 0 HG22 ILE A 57 3.781 20.911 -14.121 1.00 35.13 H new ATOM 0 HG23 ILE A 57 2.877 20.916 -15.654 1.00 35.13 H new ATOM 0 HD11 ILE A 57 2.292 16.065 -16.383 1.00 51.13 H new ATOM 0 HD12 ILE A 57 4.000 16.561 -16.325 1.00 51.13 H new ATOM 0 HD13 ILE A 57 3.102 16.285 -14.813 1.00 51.13 H new ATOM 858 N ILE A 58 6.321 17.918 -14.255 1.00 31.21 N ATOM 859 CA ILE A 58 7.266 16.909 -13.807 1.00 43.43 C ATOM 860 C ILE A 58 6.506 15.779 -13.109 1.00 60.14 C ATOM 861 O ILE A 58 6.005 15.957 -11.999 1.00 21.20 O ATOM 862 CB ILE A 58 8.357 17.543 -12.943 1.00 45.12 C ATOM 863 CG1 ILE A 58 8.966 18.763 -13.636 1.00 53.42 C ATOM 864 CG2 ILE A 58 9.420 16.511 -12.559 1.00 60.01 C ATOM 865 CD1 ILE A 58 9.206 18.487 -15.122 1.00 11.43 C ATOM 0 H ILE A 58 6.001 18.556 -13.526 1.00 31.21 H new ATOM 0 HA ILE A 58 7.784 16.467 -14.658 1.00 43.43 H new ATOM 0 HB ILE A 58 7.900 17.894 -12.018 1.00 45.12 H new ATOM 0 HG12 ILE A 58 8.300 19.619 -13.524 1.00 53.42 H new ATOM 0 HG13 ILE A 58 9.908 19.027 -13.155 1.00 53.42 H new ATOM 0 HG21 ILE A 58 10.184 16.987 -11.945 1.00 60.01 H new ATOM 0 HG22 ILE A 58 8.955 15.702 -11.996 1.00 60.01 H new ATOM 0 HG23 ILE A 58 9.879 16.108 -13.462 1.00 60.01 H new ATOM 0 HD11 ILE A 58 9.639 19.370 -15.591 1.00 11.43 H new ATOM 0 HD12 ILE A 58 9.891 17.646 -15.230 1.00 11.43 H new ATOM 0 HD13 ILE A 58 8.259 18.248 -15.605 1.00 11.43 H new ATOM 877 N TRP A 59 6.445 14.643 -13.787 1.00 42.03 N ATOM 878 CA TRP A 59 5.755 13.484 -13.245 1.00 53.42 C ATOM 879 C TRP A 59 6.454 13.083 -11.945 1.00 35.14 C ATOM 880 O TRP A 59 7.633 13.376 -11.754 1.00 11.40 O ATOM 881 CB TRP A 59 5.700 12.350 -14.270 1.00 61.43 C ATOM 882 CG TRP A 59 4.935 12.701 -15.547 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.369 12.637 -16.813 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.575 13.176 -15.631 1.00 13.24 C ATOM 885 NE1 TRP A 59 4.393 13.035 -17.704 1.00 20.21 N ATOM 886 CE2 TRP A 59 3.267 13.373 -16.962 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.636 13.432 -14.616 1.00 30.40 C ATOM 888 CZ2 TRP A 59 2.020 13.834 -17.400 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.394 13.891 -15.071 1.00 15.13 C ATOM 890 CH2 TRP A 59 1.068 14.095 -16.407 1.00 21.05 C ATOM 0 H TRP A 59 6.862 14.500 -14.707 1.00 42.03 H new ATOM 0 HA TRP A 59 4.715 13.723 -13.021 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.718 12.065 -14.536 1.00 61.43 H new ATOM 0 HB3 TRP A 59 5.235 11.479 -13.808 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.359 12.314 -17.100 1.00 71.34 H new ATOM 0 HE1 TRP A 59 4.482 13.074 -18.719 1.00 20.21 H new ATOM 0 HE3 TRP A 59 2.855 13.286 -13.569 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.804 13.981 -18.448 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.635 14.102 -14.332 1.00 15.13 H new ATOM 0 HH2 TRP A 59 0.086 14.453 -16.678 1.00 21.05 H new ATOM 901 N GLY A 60 5.697 12.418 -11.084 1.00 53.12 N ATOM 902 CA GLY A 60 6.230 11.973 -9.807 1.00 65.12 C ATOM 903 C GLY A 60 5.157 11.255 -8.986 1.00 54.35 C ATOM 904 O GLY A 60 4.332 10.527 -9.536 1.00 52.13 O ATOM 0 H GLY A 60 4.719 12.177 -11.246 1.00 53.12 H new ATOM 0 HA2 GLY A 60 7.074 11.304 -9.974 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.608 12.829 -9.248 1.00 65.12 H new ATOM 908 N GLU A 61 5.203 11.485 -7.682 1.00 1.21 N ATOM 909 CA GLU A 61 4.245 10.870 -6.779 1.00 74.52 C ATOM 910 C GLU A 61 3.013 11.763 -6.622 1.00 21.13 C ATOM 911 O GLU A 61 1.915 11.273 -6.366 1.00 72.12 O ATOM 912 CB GLU A 61 4.884 10.573 -5.421 1.00 44.23 C ATOM 913 CG GLU A 61 5.965 9.497 -5.547 1.00 1.31 C ATOM 914 CD GLU A 61 7.329 10.123 -5.842 1.00 23.15 C ATOM 915 OE1 GLU A 61 7.979 10.655 -4.929 1.00 64.15 O ATOM 916 OE2 GLU A 61 7.711 10.043 -7.072 1.00 43.33 O1- ATOM 0 H GLU A 61 5.889 12.089 -7.229 1.00 1.21 H new ATOM 0 HA GLU A 61 3.928 9.920 -7.210 1.00 74.52 H new ATOM 0 HB2 GLU A 61 5.320 11.485 -5.013 1.00 44.23 H new ATOM 0 HB3 GLU A 61 4.118 10.244 -4.719 1.00 44.23 H new ATOM 0 HG2 GLU A 61 6.018 8.920 -4.624 1.00 1.31 H new ATOM 0 HG3 GLU A 61 5.700 8.802 -6.343 1.00 1.31 H new ATOM 924 N ASP A 62 3.237 13.059 -6.783 1.00 52.34 N ATOM 925 CA ASP A 62 2.159 14.026 -6.662 1.00 22.22 C ATOM 926 C ASP A 62 1.489 14.208 -8.025 1.00 44.15 C ATOM 927 O ASP A 62 0.331 13.834 -8.206 1.00 22.13 O ATOM 928 CB ASP A 62 2.689 15.388 -6.210 1.00 1.41 C ATOM 929 CG ASP A 62 2.976 15.505 -4.712 1.00 52.20 C ATOM 930 OD1 ASP A 62 4.020 15.047 -4.224 1.00 2.01 O ATOM 931 OD2 ASP A 62 2.062 16.105 -4.027 1.00 21.24 O1- ATOM 0 H ASP A 62 4.149 13.462 -6.996 1.00 52.34 H new ATOM 0 HA ASP A 62 1.451 13.652 -5.923 1.00 22.22 H new ATOM 0 HB2 ASP A 62 3.606 15.605 -6.758 1.00 1.41 H new ATOM 0 HB3 ASP A 62 1.964 16.153 -6.487 1.00 1.41 H new ATOM 937 N THR A 63 2.245 14.782 -8.949 1.00 72.52 N ATOM 938 CA THR A 63 1.738 15.019 -10.290 1.00 21.51 C ATOM 939 C THR A 63 0.873 13.843 -10.748 1.00 21.32 C ATOM 940 O THR A 63 -0.056 14.020 -11.534 1.00 40.52 O ATOM 941 CB THR A 63 2.933 15.288 -11.206 1.00 0.41 C ATOM 942 OG1 THR A 63 3.933 14.382 -10.748 1.00 52.45 O ATOM 943 CG2 THR A 63 3.549 16.670 -10.976 1.00 31.44 C ATOM 0 H THR A 63 3.205 15.090 -8.796 1.00 72.52 H new ATOM 0 HA THR A 63 1.086 15.892 -10.318 1.00 21.51 H new ATOM 0 HB THR A 63 2.619 15.199 -12.246 1.00 0.41 H new ATOM 0 HG1 THR A 63 4.820 14.766 -10.909 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.393 16.809 -11.652 1.00 31.44 H new ATOM 0 HG22 THR A 63 2.800 17.439 -11.168 1.00 31.44 H new ATOM 0 HG23 THR A 63 3.893 16.748 -9.945 1.00 31.44 H new ATOM 951 N LEU A 64 1.211 12.668 -10.238 1.00 13.22 N ATOM 952 CA LEU A 64 0.477 11.463 -10.585 1.00 63.53 C ATOM 953 C LEU A 64 -0.833 11.423 -9.796 1.00 64.34 C ATOM 954 O LEU A 64 -1.912 11.563 -10.370 1.00 55.10 O ATOM 955 CB LEU A 64 1.353 10.225 -10.383 1.00 44.42 C ATOM 956 CG LEU A 64 2.432 9.987 -11.442 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.266 8.749 -11.107 1.00 64.04 C ATOM 958 CD2 LEU A 64 1.819 9.904 -12.841 1.00 52.11 C ATOM 0 H LEU A 64 1.983 12.525 -9.587 1.00 13.22 H new ATOM 0 HA LEU A 64 0.213 11.470 -11.643 1.00 63.53 H new ATOM 0 HB2 LEU A 64 1.838 10.302 -9.410 1.00 44.42 H new ATOM 0 HB3 LEU A 64 0.706 9.348 -10.348 1.00 44.42 H new ATOM 0 HG LEU A 64 3.109 10.842 -11.438 1.00 60.21 H new ATOM 0 HD11 LEU A 64 4.025 8.603 -11.875 1.00 64.04 H new ATOM 0 HD12 LEU A 64 3.750 8.887 -10.140 1.00 64.04 H new ATOM 0 HD13 LEU A 64 2.618 7.874 -11.066 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.607 9.735 -13.574 1.00 52.11 H new ATOM 0 HD22 LEU A 64 1.106 9.080 -12.878 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.306 10.838 -13.069 1.00 52.11 H new ATOM 970 N MET A 65 -0.696 11.233 -8.492 1.00 33.24 N ATOM 971 CA MET A 65 -1.856 11.174 -7.618 1.00 54.13 C ATOM 972 C MET A 65 -2.923 12.179 -8.055 1.00 25.33 C ATOM 973 O MET A 65 -4.116 11.944 -7.869 1.00 22.02 O ATOM 974 CB MET A 65 -1.428 11.475 -6.181 1.00 42.51 C ATOM 975 CG MET A 65 -0.896 10.216 -5.492 1.00 50.02 C ATOM 976 SD MET A 65 -1.213 10.301 -3.737 1.00 13.13 S ATOM 977 CE MET A 65 -2.547 9.122 -3.606 1.00 15.21 C ATOM 0 H MET A 65 0.200 11.118 -8.019 1.00 33.24 H new ATOM 0 HA MET A 65 -2.282 10.172 -7.677 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.658 12.247 -6.181 1.00 42.51 H new ATOM 0 HB3 MET A 65 -2.275 11.870 -5.621 1.00 42.51 H new ATOM 0 HG2 MET A 65 -1.373 9.331 -5.914 1.00 50.02 H new ATOM 0 HG3 MET A 65 0.174 10.117 -5.672 1.00 50.02 H new ATOM 0 HE1 MET A 65 -3.386 9.579 -3.082 1.00 15.21 H new ATOM 0 HE2 MET A 65 -2.864 8.819 -4.604 1.00 15.21 H new ATOM 0 HE3 MET A 65 -2.206 8.247 -3.052 1.00 15.21 H new ATOM 987 N GLU A 66 -2.456 13.279 -8.627 1.00 74.14 N ATOM 988 CA GLU A 66 -3.355 14.321 -9.092 1.00 73.33 C ATOM 989 C GLU A 66 -3.810 14.031 -10.523 1.00 2.43 C ATOM 990 O GLU A 66 -5.001 14.092 -10.824 1.00 72.31 O ATOM 991 CB GLU A 66 -2.695 15.698 -8.995 1.00 53.20 C ATOM 992 CG GLU A 66 -3.747 16.804 -8.884 1.00 12.14 C ATOM 993 CD GLU A 66 -4.663 16.571 -7.681 1.00 45.11 C ATOM 994 OE1 GLU A 66 -4.287 16.891 -6.544 1.00 41.11 O ATOM 995 OE2 GLU A 66 -5.804 16.037 -7.960 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.466 13.471 -8.779 1.00 74.14 H new ATOM 0 HA GLU A 66 -4.234 14.329 -8.447 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -2.036 15.729 -8.127 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -2.073 15.870 -9.873 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -3.254 17.771 -8.788 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.341 16.838 -9.797 1.00 12.14 H new ATOM 1003 N TYR A 67 -2.838 13.720 -11.368 1.00 23.00 N ATOM 1004 CA TYR A 67 -3.124 13.420 -12.760 1.00 3.25 C ATOM 1005 C TYR A 67 -4.028 12.192 -12.882 1.00 54.14 C ATOM 1006 O TYR A 67 -5.131 12.280 -13.419 1.00 20.25 O ATOM 1007 CB TYR A 67 -1.774 13.111 -13.411 1.00 71.14 C ATOM 1008 CG TYR A 67 -1.880 12.347 -14.732 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -2.380 12.976 -15.855 1.00 64.21 C ATOM 1010 CD2 TYR A 67 -1.476 11.029 -14.802 1.00 40.42 C ATOM 1011 CE1 TYR A 67 -2.480 12.257 -17.098 1.00 44.34 C ATOM 1012 CE2 TYR A 67 -1.576 10.311 -16.046 1.00 20.05 C ATOM 1013 CZ TYR A 67 -2.073 10.960 -17.133 1.00 2.03 C ATOM 1014 OH TYR A 67 -2.167 10.281 -18.307 1.00 60.35 O ATOM 0 H TYR A 67 -1.851 13.669 -11.115 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.636 14.257 -13.235 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.244 14.047 -13.586 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.171 12.529 -12.714 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -2.696 14.007 -15.801 1.00 64.21 H new ATOM 0 HD2 TYR A 67 -1.085 10.536 -13.924 1.00 40.42 H new ATOM 0 HE1 TYR A 67 -2.870 12.737 -17.983 1.00 44.34 H new ATOM 0 HE2 TYR A 67 -1.263 9.280 -16.114 1.00 20.05 H new ATOM 0 HH TYR A 67 -2.885 9.617 -18.244 1.00 60.35 H new ATOM 1024 N LEU A 68 -3.527 11.075 -12.375 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.276 9.831 -12.420 1.00 1.14 C ATOM 1026 C LEU A 68 -5.744 10.112 -12.090 1.00 70.03 C ATOM 1027 O LEU A 68 -6.637 9.740 -12.850 1.00 54.01 O ATOM 1028 CB LEU A 68 -3.631 8.784 -11.510 1.00 71.15 C ATOM 1029 CG LEU A 68 -2.200 8.375 -11.867 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -1.735 7.199 -11.006 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -2.072 8.078 -13.362 1.00 54.34 C ATOM 0 H LEU A 68 -2.611 11.006 -11.931 1.00 23.24 H new ATOM 0 HA LEU A 68 -4.250 9.407 -13.424 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -3.634 9.167 -10.489 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -4.256 7.891 -11.517 1.00 71.15 H new ATOM 0 HG LEU A 68 -1.540 9.214 -11.648 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -0.715 6.928 -11.280 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -1.765 7.484 -9.954 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -2.393 6.346 -11.170 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -1.046 7.790 -13.589 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -2.745 7.264 -13.630 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -2.334 8.968 -13.934 1.00 54.34 H new ATOM 1043 N GLU A 69 -5.948 10.765 -10.956 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.291 11.100 -10.516 1.00 44.21 C ATOM 1045 C GLU A 69 -8.151 11.520 -11.710 1.00 21.20 C ATOM 1046 O GLU A 69 -9.306 11.109 -11.822 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.262 12.196 -9.449 1.00 23.33 C ATOM 1048 CG GLU A 69 -8.653 12.799 -9.244 1.00 33.31 C ATOM 1049 CD GLU A 69 -8.810 13.344 -7.823 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -8.593 14.543 -7.591 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -9.173 12.475 -6.942 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.205 11.071 -10.328 1.00 20.13 H new ATOM 0 HA GLU A 69 -7.736 10.213 -10.066 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -6.899 11.783 -8.508 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -6.563 12.978 -9.745 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -8.816 13.600 -9.965 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -9.413 12.041 -9.433 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.556 12.332 -12.571 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.253 12.811 -13.752 1.00 10.35 C ATOM 1061 C ASN A 70 -7.241 13.049 -14.875 1.00 50.13 C ATOM 1062 O ASN A 70 -6.585 14.089 -14.914 1.00 4.21 O ATOM 1063 CB ASN A 70 -8.967 14.135 -13.471 1.00 54.31 C ATOM 1064 CG ASN A 70 -9.963 13.987 -12.318 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -10.713 13.029 -12.231 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -9.927 14.986 -11.441 1.00 64.01 N ATOM 0 H ASN A 70 -6.599 12.670 -12.474 1.00 12.20 H new ATOM 0 HA ASN A 70 -8.988 12.058 -14.038 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -8.233 14.903 -13.226 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -9.490 14.468 -14.368 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -10.552 14.980 -10.635 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -9.274 15.758 -11.574 1.00 64.01 H new ATOM 1073 N PRO A 71 -7.145 12.042 -15.784 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.224 12.132 -16.904 1.00 62.33 C ATOM 1075 C PRO A 71 -6.752 13.092 -17.972 1.00 21.13 C ATOM 1076 O PRO A 71 -5.988 13.868 -18.547 1.00 13.34 O ATOM 1077 CB PRO A 71 -6.078 10.706 -17.409 1.00 51.50 C ATOM 1078 CG PRO A 71 -7.271 9.944 -16.855 1.00 20.32 C ATOM 1079 CD PRO A 71 -7.906 10.797 -15.770 1.00 43.43 C ATOM 0 HA PRO A 71 -5.255 12.541 -16.619 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -6.067 10.677 -18.499 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -5.141 10.265 -17.069 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -7.991 9.735 -17.646 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -6.955 8.983 -16.449 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -8.962 10.976 -15.974 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -7.848 10.308 -14.797 1.00 43.43 H new ATOM 1087 N LYS A 72 -8.053 13.010 -18.206 1.00 52.22 N ATOM 1088 CA LYS A 72 -8.692 13.862 -19.195 1.00 43.01 C ATOM 1089 C LYS A 72 -8.515 15.327 -18.789 1.00 54.30 C ATOM 1090 O LYS A 72 -8.086 16.150 -19.595 1.00 52.53 O ATOM 1091 CB LYS A 72 -10.152 13.450 -19.394 1.00 3.34 C ATOM 1092 CG LYS A 72 -11.071 14.213 -18.438 1.00 13.21 C ATOM 1093 CD LYS A 72 -12.541 13.887 -18.714 1.00 21.22 C ATOM 1094 CE LYS A 72 -12.992 12.665 -17.912 1.00 74.53 C ATOM 1095 NZ LYS A 72 -12.599 12.804 -16.492 1.00 65.43 N1+ ATOM 0 H LYS A 72 -8.683 12.366 -17.727 1.00 52.22 H new ATOM 0 HA LYS A 72 -8.216 13.741 -20.168 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -10.451 13.644 -20.424 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.257 12.378 -19.228 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -10.825 13.955 -17.408 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -10.906 15.285 -18.547 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -13.162 14.745 -18.456 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -12.682 13.700 -19.779 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -14.074 12.552 -17.987 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -12.548 11.763 -18.332 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -13.285 12.304 -15.891 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -11.653 12.395 -16.352 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -12.582 13.811 -16.233 1.00 65.43 H new ATOM 1108 N LYS A 73 -8.856 15.606 -17.539 1.00 54.43 N ATOM 1109 CA LYS A 73 -8.740 16.957 -17.017 1.00 14.10 C ATOM 1110 C LYS A 73 -7.297 17.439 -17.174 1.00 65.14 C ATOM 1111 O LYS A 73 -7.020 18.333 -17.973 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.257 17.021 -15.578 1.00 44.31 C ATOM 1113 CG LYS A 73 -10.776 16.845 -15.533 1.00 44.45 C ATOM 1114 CD LYS A 73 -11.485 18.200 -15.526 1.00 21.13 C ATOM 1115 CE LYS A 73 -11.419 18.860 -16.905 1.00 32.30 C ATOM 1116 NZ LYS A 73 -10.226 19.731 -17.005 1.00 11.51 N1+ ATOM 0 H LYS A 73 -9.212 14.920 -16.873 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.368 17.641 -17.588 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -8.779 16.244 -14.981 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -8.985 17.978 -15.132 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -11.104 16.263 -16.395 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -11.054 16.281 -14.643 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -12.526 18.068 -15.231 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -11.024 18.852 -14.784 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -11.384 18.094 -17.680 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -12.321 19.447 -17.078 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -10.522 20.728 -16.992 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -9.593 19.547 -16.200 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -9.724 19.531 -17.893 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.414 16.825 -16.400 1.00 0.35 N ATOM 1130 CA TYR A 74 -5.006 17.180 -16.443 1.00 13.35 C ATOM 1131 C TYR A 74 -4.532 17.368 -17.886 1.00 21.32 C ATOM 1132 O TYR A 74 -3.884 18.364 -18.205 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.255 16.000 -15.822 1.00 41.13 C ATOM 1134 CG TYR A 74 -2.939 16.388 -15.144 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -2.937 16.795 -13.825 1.00 25.24 C ATOM 1136 CD2 TYR A 74 -1.755 16.331 -15.851 1.00 53.12 C ATOM 1137 CE1 TYR A 74 -1.699 17.160 -13.187 1.00 2.04 C ATOM 1138 CE2 TYR A 74 -0.517 16.696 -15.212 1.00 44.42 C ATOM 1139 CZ TYR A 74 -0.550 17.093 -13.912 1.00 54.11 C ATOM 1140 OH TYR A 74 0.619 17.437 -13.309 1.00 35.30 O ATOM 0 H TYR A 74 -6.647 16.084 -15.739 1.00 0.35 H new ATOM 0 HA TYR A 74 -4.829 18.115 -15.911 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -4.901 15.517 -15.089 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.048 15.264 -16.599 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -3.864 16.840 -13.272 1.00 25.24 H new ATOM 0 HD2 TYR A 74 -1.757 16.013 -16.883 1.00 53.12 H new ATOM 0 HE1 TYR A 74 -1.683 17.480 -12.156 1.00 2.04 H new ATOM 0 HE2 TYR A 74 0.417 16.655 -15.753 1.00 44.42 H new ATOM 0 HH TYR A 74 1.284 16.734 -13.460 1.00 35.30 H new ATOM 1150 N ILE A 75 -4.873 16.396 -18.719 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.490 16.443 -20.120 1.00 45.04 C ATOM 1152 C ILE A 75 -5.749 16.546 -20.984 1.00 31.42 C ATOM 1153 O ILE A 75 -6.324 15.531 -21.373 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.599 15.250 -20.472 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.473 15.086 -19.448 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -3.063 15.369 -21.900 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.259 15.935 -19.829 1.00 44.21 C ATOM 0 H ILE A 75 -5.410 15.571 -18.451 1.00 53.34 H new ATOM 0 HA ILE A 75 -3.890 17.330 -20.322 1.00 45.04 H new ATOM 0 HB ILE A 75 -4.206 14.346 -20.431 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -2.830 15.377 -18.460 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -2.183 14.037 -19.386 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -2.433 14.509 -22.125 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.898 15.400 -22.600 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -2.476 16.283 -21.993 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -0.473 15.801 -19.086 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -0.890 15.625 -20.807 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -1.547 16.986 -19.867 1.00 44.21 H new ATOM 1169 N PRO A 76 -6.149 17.815 -21.268 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.328 18.064 -22.079 1.00 71.30 C ATOM 1171 C PRO A 76 -7.045 17.786 -23.557 1.00 33.42 C ATOM 1172 O PRO A 76 -6.440 18.609 -24.242 1.00 1.33 O ATOM 1173 CB PRO A 76 -7.693 19.514 -21.806 1.00 24.03 C ATOM 1174 CG PRO A 76 -6.446 20.155 -21.220 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.491 19.041 -20.825 1.00 71.25 C ATOM 0 HA PRO A 76 -8.159 17.404 -21.829 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -7.998 20.019 -22.723 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -8.530 19.582 -21.111 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -5.979 20.818 -21.949 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -6.701 20.764 -20.353 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -4.519 19.164 -21.303 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.318 19.031 -19.749 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.498 16.624 -24.004 1.00 72.13 N ATOM 1184 CA GLY A 77 -7.302 16.227 -25.388 1.00 33.14 C ATOM 1185 C GLY A 77 -6.491 14.933 -25.478 1.00 34.12 C ATOM 1186 O GLY A 77 -6.097 14.517 -26.567 1.00 30.24 O ATOM 0 H GLY A 77 -8.000 15.945 -23.432 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -8.269 16.088 -25.871 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.787 17.021 -25.928 1.00 33.14 H new ATOM 1190 N THR A 78 -6.266 14.332 -24.319 1.00 72.54 N ATOM 1191 CA THR A 78 -5.509 13.093 -24.253 1.00 22.21 C ATOM 1192 C THR A 78 -6.347 11.927 -24.781 1.00 2.52 C ATOM 1193 O THR A 78 -7.568 11.919 -24.633 1.00 4.33 O ATOM 1194 CB THR A 78 -5.042 12.901 -22.809 1.00 14.31 C ATOM 1195 OG1 THR A 78 -3.845 12.137 -22.930 1.00 2.22 O ATOM 1196 CG2 THR A 78 -5.981 11.998 -22.006 1.00 64.23 C ATOM 0 H THR A 78 -6.594 14.680 -23.418 1.00 72.54 H new ATOM 0 HA THR A 78 -4.627 13.134 -24.892 1.00 22.21 H new ATOM 0 HB THR A 78 -4.965 13.872 -22.320 1.00 14.31 H new ATOM 0 HG1 THR A 78 -3.473 11.968 -22.039 1.00 2.22 H new ATOM 0 HG21 THR A 78 -5.604 11.894 -20.988 1.00 64.23 H new ATOM 0 HG22 THR A 78 -6.977 12.440 -21.981 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.031 11.016 -22.476 1.00 64.23 H new ATOM 1204 N LYS A 79 -5.658 10.971 -25.387 1.00 44.33 N ATOM 1205 CA LYS A 79 -6.324 9.803 -25.938 1.00 42.52 C ATOM 1206 C LYS A 79 -6.409 8.716 -24.864 1.00 41.14 C ATOM 1207 O LYS A 79 -7.159 7.752 -25.010 1.00 0.42 O ATOM 1208 CB LYS A 79 -5.629 9.346 -27.222 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.355 8.560 -26.905 1.00 62.22 C ATOM 1210 CD LYS A 79 -3.616 8.173 -28.189 1.00 44.22 C ATOM 1211 CE LYS A 79 -2.621 9.261 -28.598 1.00 74.45 C ATOM 1212 NZ LYS A 79 -2.192 9.069 -30.001 1.00 73.00 N1+ ATOM 0 H LYS A 79 -4.645 10.982 -25.508 1.00 44.33 H new ATOM 0 HA LYS A 79 -7.346 10.048 -26.226 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -6.308 8.725 -27.806 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -5.383 10.213 -27.835 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -3.701 9.160 -26.272 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -4.608 7.662 -26.342 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -3.089 7.231 -28.040 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -4.335 8.012 -28.992 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -3.079 10.243 -28.483 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -1.753 9.235 -27.939 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -1.517 9.816 -30.263 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -1.736 8.140 -30.101 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -3.021 9.117 -30.627 1.00 73.00 H new ATOM 1225 N MET A 80 -5.631 8.909 -23.810 1.00 72.20 N ATOM 1226 CA MET A 80 -5.609 7.957 -22.712 1.00 50.41 C ATOM 1227 C MET A 80 -7.011 7.751 -22.137 1.00 72.11 C ATOM 1228 O MET A 80 -7.424 8.467 -21.225 1.00 14.12 O ATOM 1229 CB MET A 80 -4.675 8.467 -21.612 1.00 3.55 C ATOM 1230 CG MET A 80 -4.849 7.657 -20.326 1.00 30.15 C ATOM 1231 SD MET A 80 -3.475 7.956 -19.226 1.00 1.13 S ATOM 1232 CE MET A 80 -4.247 7.585 -17.660 1.00 62.42 C ATOM 0 H MET A 80 -5.011 9.710 -23.692 1.00 72.20 H new ATOM 0 HA MET A 80 -5.249 7.001 -23.092 1.00 50.41 H new ATOM 0 HB2 MET A 80 -3.641 8.402 -21.949 1.00 3.55 H new ATOM 0 HB3 MET A 80 -4.881 9.519 -21.414 1.00 3.55 H new ATOM 0 HG2 MET A 80 -5.784 7.932 -19.837 1.00 30.15 H new ATOM 0 HG3 MET A 80 -4.913 6.595 -20.561 1.00 30.15 H new ATOM 0 HE1 MET A 80 -3.706 8.089 -16.859 1.00 62.42 H new ATOM 0 HE2 MET A 80 -5.281 7.931 -17.673 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.227 6.508 -17.490 1.00 62.42 H new ATOM 1242 N ILE A 81 -7.706 6.770 -22.693 1.00 13.21 N ATOM 1243 CA ILE A 81 -9.054 6.460 -22.246 1.00 23.44 C ATOM 1244 C ILE A 81 -9.001 5.914 -20.818 1.00 45.24 C ATOM 1245 O ILE A 81 -8.632 4.760 -20.604 1.00 72.32 O ATOM 1246 CB ILE A 81 -9.745 5.522 -23.238 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -9.769 6.130 -24.642 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -11.146 5.147 -22.752 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -10.063 7.631 -24.585 1.00 54.13 C ATOM 0 H ILE A 81 -7.361 6.179 -23.449 1.00 13.21 H new ATOM 0 HA ILE A 81 -9.663 7.363 -22.219 1.00 23.44 H new ATOM 0 HB ILE A 81 -9.167 4.600 -23.296 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -8.810 5.962 -25.131 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -10.526 5.630 -25.246 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -11.615 4.480 -23.475 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -11.074 4.644 -21.788 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -11.748 6.049 -22.647 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -10.074 8.038 -25.596 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -11.034 7.794 -24.117 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -9.290 8.131 -24.001 1.00 54.13 H new ATOM 1261 N PHE A 82 -9.374 6.770 -19.877 1.00 75.01 N ATOM 1262 CA PHE A 82 -9.374 6.387 -18.475 1.00 45.32 C ATOM 1263 C PHE A 82 -10.295 7.296 -17.659 1.00 15.33 C ATOM 1264 O PHE A 82 -10.160 8.518 -17.696 1.00 42.22 O ATOM 1265 CB PHE A 82 -7.939 6.548 -17.968 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.644 5.775 -16.681 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -7.959 6.318 -15.475 1.00 11.34 C ATOM 1268 CD2 PHE A 82 -7.066 4.546 -16.744 1.00 71.04 C ATOM 1269 CE1 PHE A 82 -7.685 5.601 -14.280 1.00 13.13 C ATOM 1270 CE2 PHE A 82 -6.791 3.829 -15.549 1.00 71.25 C ATOM 1271 CZ PHE A 82 -7.107 4.372 -14.343 1.00 22.42 C ATOM 0 H PHE A 82 -9.678 7.727 -20.058 1.00 75.01 H new ATOM 0 HA PHE A 82 -9.731 5.363 -18.369 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -7.250 6.216 -18.745 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.741 7.606 -17.798 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -8.418 7.295 -15.426 1.00 11.34 H new ATOM 0 HD2 PHE A 82 -6.816 4.115 -17.702 1.00 71.04 H new ATOM 0 HE1 PHE A 82 -7.936 6.032 -13.322 1.00 13.13 H new ATOM 0 HE2 PHE A 82 -6.331 2.853 -15.598 1.00 71.25 H new ATOM 0 HZ PHE A 82 -6.899 3.827 -13.434 1.00 22.42 H new ATOM 1281 N VAL A 83 -11.212 6.663 -16.941 1.00 43.41 N ATOM 1282 CA VAL A 83 -12.156 7.399 -16.117 1.00 44.03 C ATOM 1283 C VAL A 83 -11.400 8.102 -14.987 1.00 4.21 C ATOM 1284 O VAL A 83 -11.530 9.311 -14.807 1.00 54.11 O ATOM 1285 CB VAL A 83 -13.251 6.459 -15.609 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -12.674 5.406 -14.662 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -14.378 7.244 -14.935 1.00 35.41 C ATOM 0 H VAL A 83 -11.321 5.649 -16.913 1.00 43.41 H new ATOM 0 HA VAL A 83 -12.655 8.170 -16.704 1.00 44.03 H new ATOM 0 HB VAL A 83 -13.673 5.940 -16.470 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -13.473 4.751 -14.316 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -11.924 4.816 -15.188 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -12.213 5.900 -13.806 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -15.143 6.552 -14.583 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -13.977 7.803 -14.089 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -14.818 7.937 -15.652 1.00 35.41 H new ATOM 1297 N GLY A 84 -10.626 7.313 -14.256 1.00 4.04 N ATOM 1298 CA GLY A 84 -9.850 7.844 -13.149 1.00 52.24 C ATOM 1299 C GLY A 84 -9.954 6.938 -11.921 1.00 70.24 C ATOM 1300 O GLY A 84 -10.669 5.937 -11.943 1.00 15.11 O ATOM 0 H GLY A 84 -10.520 6.310 -14.409 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -8.806 7.941 -13.446 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -10.204 8.844 -12.899 1.00 52.24 H new ATOM 1304 N ILE A 85 -9.231 7.320 -10.879 1.00 33.41 N ATOM 1305 CA ILE A 85 -9.234 6.555 -9.644 1.00 44.34 C ATOM 1306 C ILE A 85 -9.689 7.453 -8.492 1.00 34.42 C ATOM 1307 O ILE A 85 -9.727 8.675 -8.631 1.00 13.31 O ATOM 1308 CB ILE A 85 -7.868 5.905 -9.413 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.546 4.898 -10.520 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -7.789 5.273 -8.022 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -6.034 4.742 -10.696 1.00 62.43 C ATOM 0 H ILE A 85 -8.639 8.150 -10.865 1.00 33.41 H new ATOM 0 HA ILE A 85 -9.947 5.733 -9.708 1.00 44.34 H new ATOM 0 HB ILE A 85 -7.107 6.684 -9.455 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -7.989 3.932 -10.278 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -7.993 5.228 -11.458 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -6.808 4.818 -7.884 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -7.943 6.041 -7.264 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -8.560 4.509 -7.925 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -5.832 4.021 -11.488 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -5.597 5.705 -10.962 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -5.594 4.389 -9.764 1.00 62.43 H new ATOM 1323 N LYS A 86 -10.023 6.813 -7.381 1.00 65.04 N ATOM 1324 CA LYS A 86 -10.475 7.540 -6.207 1.00 4.54 C ATOM 1325 C LYS A 86 -9.738 7.014 -4.973 1.00 23.40 C ATOM 1326 O LYS A 86 -9.109 7.782 -4.247 1.00 42.24 O ATOM 1327 CB LYS A 86 -11.999 7.473 -6.088 1.00 51.42 C ATOM 1328 CG LYS A 86 -12.486 6.022 -6.090 1.00 2.32 C ATOM 1329 CD LYS A 86 -13.886 5.915 -6.697 1.00 43.02 C ATOM 1330 CE LYS A 86 -13.815 5.761 -8.218 1.00 63.30 C ATOM 1331 NZ LYS A 86 -15.173 5.634 -8.790 1.00 13.13 N1+ ATOM 0 H LYS A 86 -9.990 5.800 -7.269 1.00 65.04 H new ATOM 0 HA LYS A 86 -10.232 8.599 -6.298 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -12.318 7.966 -5.170 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -12.456 8.015 -6.916 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -11.791 5.402 -6.657 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -12.497 5.637 -5.070 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -14.409 5.061 -6.266 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -14.464 6.804 -6.445 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -13.310 6.623 -8.653 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -13.223 4.882 -8.473 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -15.106 5.530 -9.823 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -15.642 4.798 -8.388 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -15.726 6.485 -8.562 1.00 13.13 H new ATOM 1344 N LYS A 87 -9.842 5.708 -4.773 1.00 14.22 N ATOM 1345 CA LYS A 87 -9.194 5.070 -3.640 1.00 74.32 C ATOM 1346 C LYS A 87 -7.738 5.534 -3.564 1.00 52.11 C ATOM 1347 O LYS A 87 -6.993 5.416 -4.536 1.00 61.33 O ATOM 1348 CB LYS A 87 -9.351 3.550 -3.718 1.00 24.34 C ATOM 1349 CG LYS A 87 -10.618 3.093 -2.992 1.00 3.32 C ATOM 1350 CD LYS A 87 -11.815 3.060 -3.945 1.00 34.24 C ATOM 1351 CE LYS A 87 -11.940 1.693 -4.621 1.00 64.11 C ATOM 1352 NZ LYS A 87 -10.993 1.586 -5.753 1.00 73.24 N1+ ATOM 0 H LYS A 87 -10.366 5.074 -5.377 1.00 14.22 H new ATOM 0 HA LYS A 87 -9.674 5.369 -2.709 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.393 3.238 -4.762 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -8.480 3.067 -3.276 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -10.460 2.102 -2.566 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -10.828 3.767 -2.161 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -12.729 3.282 -3.394 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -11.703 3.835 -4.703 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -11.741 0.903 -3.897 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -12.960 1.549 -4.978 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -11.517 1.369 -6.625 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -10.487 2.487 -5.868 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -10.309 0.826 -5.563 1.00 73.24 H new ATOM 1365 N LYS A 88 -7.375 6.052 -2.399 1.00 3.10 N ATOM 1366 CA LYS A 88 -6.022 6.534 -2.183 1.00 50.44 C ATOM 1367 C LYS A 88 -5.055 5.348 -2.191 1.00 62.35 C ATOM 1368 O LYS A 88 -4.123 5.308 -2.993 1.00 5.43 O ATOM 1369 CB LYS A 88 -5.950 7.377 -0.908 1.00 32.15 C ATOM 1370 CG LYS A 88 -4.585 8.054 -0.774 1.00 53.14 C ATOM 1371 CD LYS A 88 -4.214 8.254 0.697 1.00 21.14 C ATOM 1372 CE LYS A 88 -3.801 6.930 1.342 1.00 11.43 C ATOM 1373 NZ LYS A 88 -3.246 7.163 2.695 1.00 32.04 N1+ ATOM 0 H LYS A 88 -7.995 6.148 -1.595 1.00 3.10 H new ATOM 0 HA LYS A 88 -5.721 7.197 -2.994 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -6.735 8.133 -0.923 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -6.133 6.745 -0.039 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -3.824 7.447 -1.265 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -4.602 9.018 -1.283 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -3.397 8.972 0.776 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -5.062 8.676 1.236 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -4.663 6.265 1.405 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -3.059 6.431 0.719 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -2.971 6.254 3.119 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -2.412 7.780 2.626 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -3.966 7.619 3.292 1.00 32.04 H new ATOM 1386 N GLU A 89 -5.311 4.412 -1.289 1.00 24.00 N ATOM 1387 CA GLU A 89 -4.475 3.228 -1.182 1.00 53.30 C ATOM 1388 C GLU A 89 -4.339 2.549 -2.547 1.00 33.12 C ATOM 1389 O GLU A 89 -3.307 1.949 -2.846 1.00 21.33 O ATOM 1390 CB GLU A 89 -5.031 2.256 -0.140 1.00 23.22 C ATOM 1391 CG GLU A 89 -6.551 2.132 -0.262 1.00 22.23 C ATOM 1392 CD GLU A 89 -7.044 0.816 0.345 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -6.645 -0.265 -0.112 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -7.870 0.945 1.327 1.00 40.44 O1- ATOM 0 H GLU A 89 -6.085 4.449 -0.626 1.00 24.00 H new ATOM 0 HA GLU A 89 -3.484 3.536 -0.850 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -4.571 1.276 -0.269 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -4.770 2.601 0.860 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -7.030 2.971 0.243 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -6.841 2.184 -1.312 1.00 22.23 H new ATOM 1402 N GLU A 90 -5.395 2.666 -3.338 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.406 2.071 -4.664 1.00 0.45 C ATOM 1404 C GLU A 90 -4.340 2.723 -5.547 1.00 42.01 C ATOM 1405 O GLU A 90 -3.622 2.034 -6.270 1.00 73.10 O ATOM 1406 CB GLU A 90 -6.792 2.183 -5.303 1.00 22.42 C ATOM 1407 CG GLU A 90 -7.652 0.964 -4.964 1.00 43.23 C ATOM 1408 CD GLU A 90 -7.523 0.596 -3.485 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -6.504 0.019 -3.077 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -8.528 0.932 -2.750 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.249 3.164 -3.087 1.00 72.24 H new ATOM 0 HA GLU A 90 -5.171 1.011 -4.568 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.286 3.090 -4.953 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -6.692 2.272 -6.385 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -8.695 1.173 -5.201 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -7.349 0.118 -5.581 1.00 43.23 H new ATOM 1418 N ARG A 91 -4.271 4.043 -5.460 1.00 31.04 N ATOM 1419 CA ARG A 91 -3.304 4.795 -6.242 1.00 55.13 C ATOM 1420 C ARG A 91 -1.926 4.736 -5.581 1.00 34.33 C ATOM 1421 O ARG A 91 -0.906 4.912 -6.247 1.00 24.42 O ATOM 1422 CB ARG A 91 -3.731 6.257 -6.387 1.00 21.11 C ATOM 1423 CG ARG A 91 -5.044 6.371 -7.165 1.00 71.31 C ATOM 1424 CD ARG A 91 -5.220 7.778 -7.739 1.00 2.23 C ATOM 1425 NE ARG A 91 -4.957 8.789 -6.691 1.00 24.12 N ATOM 1426 CZ ARG A 91 -5.764 9.008 -5.631 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -6.894 8.287 -5.470 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -5.431 9.938 -4.755 1.00 72.51 N1+ ATOM 0 H ARG A 91 -4.869 4.611 -4.860 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.255 4.343 -7.233 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -3.849 6.705 -5.400 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -2.950 6.818 -6.900 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -5.056 5.640 -7.974 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -5.882 6.135 -6.509 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.539 7.925 -8.577 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -6.232 7.898 -8.126 1.00 2.23 H new ATOM 0 HE ARG A 91 -4.113 9.356 -6.775 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -7.143 7.571 -6.152 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -7.498 8.459 -4.666 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -4.575 10.478 -4.885 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -6.029 10.116 -3.948 1.00 72.51 H new ATOM 1441 N ALA A 92 -1.938 4.488 -4.280 1.00 44.03 N ATOM 1442 CA ALA A 92 -0.701 4.404 -3.522 1.00 4.24 C ATOM 1443 C ALA A 92 -0.032 3.055 -3.794 1.00 44.10 C ATOM 1444 O ALA A 92 1.194 2.962 -3.827 1.00 25.42 O ATOM 1445 CB ALA A 92 -0.997 4.619 -2.036 1.00 24.15 C ATOM 0 H ALA A 92 -2.785 4.342 -3.731 1.00 44.03 H new ATOM 0 HA ALA A 92 -0.007 5.185 -3.832 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -0.069 4.556 -1.467 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -1.444 5.603 -1.893 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -1.689 3.852 -1.688 1.00 24.15 H new ATOM 1451 N ASP A 93 -0.867 2.044 -3.984 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.372 0.705 -4.252 1.00 41.32 C ATOM 1453 C ASP A 93 0.008 0.593 -5.730 1.00 30.23 C ATOM 1454 O ASP A 93 1.119 0.181 -6.060 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.442 -0.348 -3.958 1.00 51.12 C ATOM 1456 CG ASP A 93 -1.852 -0.459 -2.488 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -1.047 -0.207 -1.579 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -3.072 -0.828 -2.289 1.00 61.21 O1- ATOM 0 H ASP A 93 -1.883 2.126 -3.958 1.00 13.32 H new ATOM 0 HA ASP A 93 0.491 0.530 -3.610 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -2.328 -0.120 -4.551 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -1.077 -1.319 -4.292 1.00 51.12 H new ATOM 1464 N LEU A 94 -0.937 0.967 -6.581 1.00 1.20 N ATOM 1465 CA LEU A 94 -0.716 0.914 -8.016 1.00 74.05 C ATOM 1466 C LEU A 94 0.599 1.620 -8.351 1.00 42.32 C ATOM 1467 O LEU A 94 1.411 1.098 -9.113 1.00 60.31 O ATOM 1468 CB LEU A 94 -1.925 1.476 -8.765 1.00 54.11 C ATOM 1469 CG LEU A 94 -2.053 1.069 -10.235 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -3.331 1.639 -10.853 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -0.805 1.469 -11.025 1.00 30.44 C ATOM 0 H LEU A 94 -1.857 1.308 -6.304 1.00 1.20 H new ATOM 0 HA LEU A 94 -0.617 -0.119 -8.349 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -2.829 1.163 -8.242 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -1.887 2.564 -8.712 1.00 54.11 H new ATOM 0 HG LEU A 94 -2.130 -0.017 -10.283 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -3.397 1.335 -11.898 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -4.197 1.262 -10.310 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -3.310 2.727 -10.793 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -0.922 1.168 -12.066 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -0.672 2.550 -10.972 1.00 30.44 H new ATOM 0 HD23 LEU A 94 0.069 0.974 -10.600 1.00 30.44 H new ATOM 1483 N ILE A 95 0.768 2.797 -7.766 1.00 14.42 N ATOM 1484 CA ILE A 95 1.970 3.580 -7.993 1.00 64.13 C ATOM 1485 C ILE A 95 3.178 2.827 -7.433 1.00 4.02 C ATOM 1486 O ILE A 95 4.243 2.809 -8.048 1.00 25.25 O ATOM 1487 CB ILE A 95 1.806 4.991 -7.424 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.794 5.798 -8.240 1.00 4.41 C ATOM 1489 CG2 ILE A 95 3.157 5.701 -7.322 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.507 7.147 -7.578 1.00 42.01 C ATOM 0 H ILE A 95 0.092 3.227 -7.135 1.00 14.42 H new ATOM 0 HA ILE A 95 2.143 3.711 -9.061 1.00 64.13 H new ATOM 0 HB ILE A 95 1.409 4.907 -6.412 1.00 34.32 H new ATOM 0 HG12 ILE A 95 1.178 5.958 -9.247 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -0.133 5.233 -8.338 1.00 4.41 H new ATOM 0 HG21 ILE A 95 3.012 6.702 -6.915 1.00 33.12 H new ATOM 0 HG22 ILE A 95 3.817 5.134 -6.666 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.605 5.774 -8.313 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.215 7.701 -8.178 1.00 42.01 H new ATOM 0 HD12 ILE A 95 0.100 6.983 -6.580 1.00 42.01 H new ATOM 0 HD13 ILE A 95 1.431 7.720 -7.503 1.00 42.01 H new ATOM 1502 N ALA A 96 2.972 2.224 -6.271 1.00 33.14 N ATOM 1503 CA ALA A 96 4.031 1.471 -5.621 1.00 12.15 C ATOM 1504 C ALA A 96 4.551 0.398 -6.579 1.00 53.11 C ATOM 1505 O ALA A 96 5.748 0.331 -6.851 1.00 25.00 O ATOM 1506 CB ALA A 96 3.506 0.879 -4.311 1.00 44.52 C ATOM 0 H ALA A 96 2.088 2.242 -5.763 1.00 33.14 H new ATOM 0 HA ALA A 96 4.868 2.123 -5.372 1.00 12.15 H new ATOM 0 HB1 ALA A 96 4.300 0.314 -3.823 1.00 44.52 H new ATOM 0 HB2 ALA A 96 3.177 1.684 -3.654 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.666 0.217 -4.522 1.00 44.52 H new ATOM 1512 N TYR A 97 3.624 -0.415 -7.065 1.00 1.44 N ATOM 1513 CA TYR A 97 3.974 -1.482 -7.988 1.00 62.31 C ATOM 1514 C TYR A 97 4.928 -0.978 -9.073 1.00 21.40 C ATOM 1515 O TYR A 97 5.919 -1.635 -9.387 1.00 22.13 O ATOM 1516 CB TYR A 97 2.662 -1.920 -8.642 1.00 54.22 C ATOM 1517 CG TYR A 97 2.845 -2.639 -9.980 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.476 -3.866 -10.024 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.378 -2.061 -11.144 1.00 73.34 C ATOM 1520 CE1 TYR A 97 3.647 -4.542 -11.284 1.00 61.32 C ATOM 1521 CE2 TYR A 97 2.549 -2.738 -12.403 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.176 -3.945 -12.411 1.00 14.22 C ATOM 1523 OH TYR A 97 3.338 -4.584 -13.600 1.00 3.20 O ATOM 0 H TYR A 97 2.632 -0.356 -6.837 1.00 1.44 H new ATOM 0 HA TYR A 97 4.472 -2.297 -7.462 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.128 -2.579 -7.957 1.00 54.22 H new ATOM 0 HB3 TYR A 97 2.033 -1.043 -8.795 1.00 54.22 H new ATOM 0 HD1 TYR A 97 3.841 -4.319 -9.114 1.00 70.44 H new ATOM 0 HD2 TYR A 97 1.884 -1.101 -11.110 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.139 -5.502 -11.333 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.188 -2.297 -13.320 1.00 72.22 H new ATOM 0 HH TYR A 97 2.952 -4.041 -14.319 1.00 3.20 H new ATOM 1533 N LEU A 98 4.596 0.185 -9.614 1.00 55.30 N ATOM 1534 CA LEU A 98 5.411 0.785 -10.657 1.00 10.43 C ATOM 1535 C LEU A 98 6.815 1.052 -10.111 1.00 50.54 C ATOM 1536 O LEU A 98 7.809 0.759 -10.773 1.00 71.33 O ATOM 1537 CB LEU A 98 4.724 2.028 -11.225 1.00 25.13 C ATOM 1538 CG LEU A 98 3.357 1.803 -11.874 1.00 4.11 C ATOM 1539 CD1 LEU A 98 2.632 3.130 -12.102 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.490 0.993 -13.165 1.00 11.03 C ATOM 0 H LEU A 98 3.774 0.728 -9.350 1.00 55.30 H new ATOM 0 HA LEU A 98 5.521 0.099 -11.497 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.607 2.753 -10.420 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.386 2.478 -11.965 1.00 25.13 H new ATOM 0 HG LEU A 98 2.746 1.217 -11.188 1.00 4.11 H new ATOM 0 HD11 LEU A 98 1.663 2.941 -12.564 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.486 3.634 -11.146 1.00 43.25 H new ATOM 0 HD13 LEU A 98 3.230 3.763 -12.758 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.504 0.847 -13.606 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.126 1.531 -13.868 1.00 11.03 H new ATOM 0 HD23 LEU A 98 3.935 0.023 -12.942 1.00 11.03 H new ATOM 1552 N LYS A 99 6.851 1.607 -8.908 1.00 73.11 N ATOM 1553 CA LYS A 99 8.116 1.917 -8.265 1.00 1.31 C ATOM 1554 C LYS A 99 8.977 0.654 -8.206 1.00 71.25 C ATOM 1555 O LYS A 99 10.195 0.735 -8.053 1.00 53.02 O ATOM 1556 CB LYS A 99 7.879 2.564 -6.899 1.00 31.34 C ATOM 1557 CG LYS A 99 7.800 4.087 -7.019 1.00 15.41 C ATOM 1558 CD LYS A 99 6.386 4.536 -7.394 1.00 1.10 C ATOM 1559 CE LYS A 99 6.198 6.031 -7.130 1.00 13.50 C ATOM 1560 NZ LYS A 99 7.475 6.755 -7.316 1.00 12.44 N1+ ATOM 0 H LYS A 99 6.024 1.850 -8.362 1.00 73.11 H new ATOM 0 HA LYS A 99 8.669 2.653 -8.849 1.00 1.31 H new ATOM 0 HB2 LYS A 99 6.954 2.181 -6.467 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.685 2.291 -6.219 1.00 31.34 H new ATOM 0 HG2 LYS A 99 8.092 4.545 -6.074 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.507 4.433 -7.773 1.00 15.41 H new ATOM 0 HD2 LYS A 99 6.200 4.323 -8.447 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.655 3.967 -6.819 1.00 1.10 H new ATOM 0 HE2 LYS A 99 5.443 6.433 -7.806 1.00 13.50 H new ATOM 0 HE3 LYS A 99 5.831 6.184 -6.115 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 7.285 7.772 -7.419 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 8.086 6.599 -6.489 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 7.952 6.403 -8.171 1.00 12.44 H new ATOM 1573 N LYS A 100 8.310 -0.484 -8.330 1.00 63.15 N ATOM 1574 CA LYS A 100 8.999 -1.763 -8.293 1.00 72.41 C ATOM 1575 C LYS A 100 9.175 -2.285 -9.720 1.00 64.54 C ATOM 1576 O LYS A 100 10.069 -3.086 -9.987 1.00 30.00 O ATOM 1577 CB LYS A 100 8.269 -2.738 -7.367 1.00 4.54 C ATOM 1578 CG LYS A 100 8.133 -2.159 -5.957 1.00 42.24 C ATOM 1579 CD LYS A 100 9.507 -1.885 -5.343 1.00 15.32 C ATOM 1580 CE LYS A 100 9.389 -1.580 -3.848 1.00 64.41 C ATOM 1581 NZ LYS A 100 10.726 -1.349 -3.259 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.300 -0.547 -8.456 1.00 63.15 H new ATOM 0 HA LYS A 100 9.997 -1.646 -7.871 1.00 72.41 H new ATOM 0 HB2 LYS A 100 7.281 -2.957 -7.771 1.00 4.54 H new ATOM 0 HB3 LYS A 100 8.813 -3.682 -7.325 1.00 4.54 H new ATOM 0 HG2 LYS A 100 7.556 -1.235 -5.993 1.00 42.24 H new ATOM 0 HG3 LYS A 100 7.581 -2.855 -5.326 1.00 42.24 H new ATOM 0 HD2 LYS A 100 10.154 -2.749 -5.491 1.00 15.32 H new ATOM 0 HD3 LYS A 100 9.976 -1.044 -5.853 1.00 15.32 H new ATOM 0 HE2 LYS A 100 8.763 -0.701 -3.699 1.00 64.41 H new ATOM 0 HE3 LYS A 100 8.899 -2.410 -3.339 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 10.628 -1.143 -2.244 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 11.312 -2.199 -3.385 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 11.180 -0.542 -3.733 1.00 13.11 H new ATOM 1594 N ALA A 101 8.307 -1.809 -10.601 1.00 71.41 N ATOM 1595 CA ALA A 101 8.354 -2.218 -11.994 1.00 62.32 C ATOM 1596 C ALA A 101 9.329 -1.315 -12.753 1.00 15.30 C ATOM 1597 O ALA A 101 10.445 -1.726 -13.068 1.00 73.54 O ATOM 1598 CB ALA A 101 6.944 -2.180 -12.586 1.00 63.13 C ATOM 0 H ALA A 101 7.567 -1.144 -10.377 1.00 71.41 H new ATOM 0 HA ALA A 101 8.716 -3.242 -12.081 1.00 62.32 H new ATOM 0 HB1 ALA A 101 6.980 -2.487 -13.631 1.00 63.13 H new ATOM 0 HB2 ALA A 101 6.298 -2.859 -12.030 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.548 -1.167 -12.519 1.00 63.13 H new ATOM 1604 N THR A 102 8.873 -0.101 -13.024 1.00 2.02 N ATOM 1605 CA THR A 102 9.691 0.864 -13.739 1.00 71.34 C ATOM 1606 C THR A 102 10.961 1.179 -12.946 1.00 12.43 C ATOM 1607 O THR A 102 12.015 1.428 -13.528 1.00 41.24 O ATOM 1608 CB THR A 102 8.830 2.096 -14.023 1.00 15.35 C ATOM 1609 OG1 THR A 102 9.771 3.101 -14.389 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.166 2.649 -12.760 1.00 62.44 C ATOM 0 H THR A 102 7.947 0.237 -12.761 1.00 2.02 H new ATOM 0 HA THR A 102 10.033 0.462 -14.693 1.00 71.34 H new ATOM 0 HB THR A 102 8.063 1.842 -14.755 1.00 15.35 H new ATOM 0 HG1 THR A 102 9.598 3.915 -13.871 1.00 54.52 H new ATOM 0 HG21 THR A 102 7.567 3.522 -13.017 1.00 62.44 H new ATOM 0 HG22 THR A 102 7.524 1.885 -12.322 1.00 62.44 H new ATOM 0 HG23 THR A 102 8.934 2.934 -12.041 1.00 62.44 H new ATOM 1618 N ASN A 103 10.817 1.158 -11.629 1.00 4.21 N ATOM 1619 CA ASN A 103 11.939 1.439 -10.749 1.00 22.31 C ATOM 1620 C ASN A 103 12.312 0.168 -9.984 1.00 72.30 C ATOM 1621 O ASN A 103 12.515 0.206 -8.771 1.00 23.40 O ATOM 1622 CB ASN A 103 11.581 2.519 -9.727 1.00 0.14 C ATOM 1623 CG ASN A 103 11.826 3.917 -10.297 1.00 54.24 C ATOM 1624 OD1 ASN A 103 11.719 4.158 -11.488 1.00 3.22 O ATOM 1625 ND2 ASN A 103 12.162 4.823 -9.382 1.00 60.01 N ATOM 0 H ASN A 103 9.941 0.951 -11.150 1.00 4.21 H new ATOM 0 HA ASN A 103 12.770 1.786 -11.363 1.00 22.31 H new ATOM 0 HB2 ASN A 103 10.535 2.419 -9.438 1.00 0.14 H new ATOM 0 HB3 ASN A 103 12.176 2.381 -8.824 1.00 0.14 H new ATOM 0 HD21 ASN A 103 12.348 5.786 -9.662 1.00 60.01 H new ATOM 0 HD22 ASN A 103 12.234 4.554 -8.401 1.00 60.01 H new ATOM 1632 N GLU A 104 12.391 -0.929 -10.723 1.00 33.11 N ATOM 1633 CA GLU A 104 12.735 -2.209 -10.129 1.00 43.24 C ATOM 1634 C GLU A 104 14.198 -2.209 -9.681 1.00 2.51 C ATOM 1635 O GLU A 104 15.052 -1.616 -10.337 1.00 22.34 O ATOM 1636 CB GLU A 104 12.460 -3.357 -11.103 1.00 32.13 C ATOM 1637 CG GLU A 104 12.305 -4.683 -10.356 1.00 20.34 C ATOM 1638 CD GLU A 104 13.662 -5.203 -9.876 1.00 3.30 C ATOM 1639 OE1 GLU A 104 13.886 -5.320 -8.662 1.00 3.03 O ATOM 1640 OE2 GLU A 104 14.499 -5.492 -10.814 1.00 64.02 O1- ATOM 0 H GLU A 104 12.222 -0.957 -11.729 1.00 33.11 H new ATOM 0 HA GLU A 104 12.106 -2.362 -9.252 1.00 43.24 H new ATOM 0 HB2 GLU A 104 11.554 -3.147 -11.671 1.00 32.13 H new ATOM 0 HB3 GLU A 104 13.276 -3.433 -11.821 1.00 32.13 H new ATOM 0 HG2 GLU A 104 11.640 -4.548 -9.503 1.00 20.34 H new ATOM 0 HG3 GLU A 104 11.839 -5.421 -11.010 1.00 20.34 H new