USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 790 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 78 MET CE :methyl 163:sc= -0.0196 (180deg=-0.325) USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 82 ASN : amide:sc= 0.936 K(o=2.2,f=-10!) USER MOD Set 2.2: A 86 LYS NZ :NH3+ -175:sc= 1.27 (180deg=0) USER MOD Set 3.1: A 52 GLN : amide:sc= -0.701 X(o=-2,f=-1.6) USER MOD Set 3.2: A 85 ASN : amide:sc= -0.299 X(o=-2,f=-2.4) USER MOD Set 3.3: A 88 MET CE :methyl -178:sc= -1.02 (180deg=-0.876) USER MOD Set 4.1: A 45 TYR OH : rot 180:sc= 0.301 USER MOD Set 4.2: A 53 LYS NZ :NH3+ -130:sc= 0.319 (180deg=0) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0902 (180deg=-0.53) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0554) USER MOD Single : A 3 GLN : amide:sc= -0.405 X(o=-0.41,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= -0.039 (180deg=-0.277) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.949) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 13 GLN : amide:sc= -0.63 K(o=-0.63,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.398 K(o=0.4,f=-1.1) USER MOD Single : A 21 GLN : amide:sc= -0.627! K(o=-0.63!,f=-0.073) USER MOD Single : A 28 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.92) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -152:sc= -0.523 (180deg=-2.67!) USER MOD Single : A 43 ASN : amide:sc= 0.33 K(o=0.33,f=-0.7) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0214) USER MOD Single : A 56 ASN : amide:sc= 0.772 K(o=0.77,f=-0.31) USER MOD Single : A 57 ASN : amide:sc= -2.02 X(o=-2,f=-1.8!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.185 X(o=-0.18,f=0) USER MOD Single : A 60 SER OG : rot 83:sc= 1.2 USER MOD Single : A 65 ASN : amide:sc= 0.637 K(o=0.64,f=-3.4) USER MOD Single : A 68 SER OG : rot -81:sc= 1.3 USER MOD Single : A 72 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -168:sc=-0.00626 (180deg=-0.152) USER MOD Single : A 76 MET CE :methyl -132:sc= -0.956 (180deg=-2.22) USER MOD Single : A 84 TYR OH : rot 23:sc= 1.4 USER MOD Single : A 90 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.079) USER MOD Single : A 91 GLN : amide:sc= -0.217 K(o=-0.22,f=-4.5!) USER MOD Single : A 94 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.051) USER MOD Single : A 97 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.077) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-6.9e-05) USER MOD Single : A 99 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.370 12.001 16.458 1.00 51.43 N ATOM 2 CA MET A 1 -5.564 12.323 15.029 1.00 25.42 C ATOM 3 C MET A 1 -4.621 11.496 14.177 1.00 45.44 C ATOM 4 O MET A 1 -3.444 11.341 14.508 1.00 22.35 O ATOM 5 CB MET A 1 -5.327 13.812 14.770 1.00 25.31 C ATOM 6 CG MET A 1 -6.332 14.723 15.455 1.00 52.02 C ATOM 7 SD MET A 1 -6.067 16.467 15.069 1.00 11.13 S ATOM 8 CE MET A 1 -4.432 16.736 15.755 1.00 32.33 C ATOM 0 H1 MET A 1 -6.108 12.468 17.022 1.00 51.43 H new ATOM 0 H2 MET A 1 -5.430 10.972 16.593 1.00 51.43 H new ATOM 0 H3 MET A 1 -4.435 12.336 16.766 1.00 51.43 H new ATOM 0 HA MET A 1 -6.594 12.085 14.762 1.00 25.42 H new ATOM 0 HB2 MET A 1 -4.324 14.074 15.107 1.00 25.31 H new ATOM 0 HB3 MET A 1 -5.360 13.994 13.696 1.00 25.31 H new ATOM 0 HG2 MET A 1 -7.340 14.437 15.153 1.00 52.02 H new ATOM 0 HG3 MET A 1 -6.270 14.580 16.534 1.00 52.02 H new ATOM 0 HE1 MET A 1 -4.256 17.806 15.868 1.00 32.33 H new ATOM 0 HE2 MET A 1 -4.362 16.252 16.729 1.00 32.33 H new ATOM 0 HE3 MET A 1 -3.683 16.314 15.086 1.00 32.33 H new ATOM 20 N ASP A 2 -5.143 10.959 13.088 1.00 2.13 N ATOM 21 CA ASP A 2 -4.360 10.107 12.211 1.00 62.43 C ATOM 22 C ASP A 2 -4.276 10.702 10.824 1.00 11.55 C ATOM 23 O ASP A 2 -5.287 10.831 10.130 1.00 65.30 O ATOM 24 CB ASP A 2 -4.964 8.705 12.115 1.00 22.44 C ATOM 25 CG ASP A 2 -4.970 7.978 13.437 1.00 32.04 C ATOM 26 OD1 ASP A 2 -3.886 7.581 13.909 1.00 35.53 O ATOM 27 OD2 ASP A 2 -6.064 7.806 14.018 1.00 24.21 O ATOM 0 H ASP A 2 -6.108 11.099 12.790 1.00 2.13 H new ATOM 0 HA ASP A 2 -3.360 10.034 12.639 1.00 62.43 H new ATOM 0 HB2 ASP A 2 -5.986 8.779 11.742 1.00 22.44 H new ATOM 0 HB3 ASP A 2 -4.401 8.121 11.387 1.00 22.44 H new ATOM 32 N GLN A 3 -3.066 11.054 10.420 1.00 70.11 N ATOM 33 CA GLN A 3 -2.829 11.556 9.076 1.00 55.44 C ATOM 34 C GLN A 3 -3.167 10.474 8.057 1.00 4.22 C ATOM 35 O GLN A 3 -3.550 10.766 6.925 1.00 34.34 O ATOM 36 CB GLN A 3 -1.373 11.994 8.926 1.00 11.05 C ATOM 37 CG GLN A 3 -1.060 12.649 7.591 1.00 64.32 C ATOM 38 CD GLN A 3 0.393 13.055 7.479 1.00 73.13 C ATOM 39 OE1 GLN A 3 0.772 14.169 7.839 1.00 43.51 O ATOM 40 NE2 GLN A 3 1.218 12.150 6.987 1.00 12.21 N ATOM 0 H GLN A 3 -2.232 11.001 11.004 1.00 70.11 H new ATOM 0 HA GLN A 3 -3.468 12.421 8.899 1.00 55.44 H new ATOM 0 HB2 GLN A 3 -1.130 12.692 9.727 1.00 11.05 H new ATOM 0 HB3 GLN A 3 -0.728 11.125 9.053 1.00 11.05 H new ATOM 0 HG2 GLN A 3 -1.306 11.959 6.784 1.00 64.32 H new ATOM 0 HG3 GLN A 3 -1.692 13.528 7.463 1.00 64.32 H new ATOM 0 HE21 GLN A 3 0.862 11.238 6.700 1.00 12.21 H new ATOM 0 HE22 GLN A 3 2.211 12.363 6.894 1.00 12.21 H new ATOM 49 N LEU A 4 -3.038 9.224 8.488 1.00 70.45 N ATOM 50 CA LEU A 4 -3.367 8.073 7.655 1.00 12.02 C ATOM 51 C LEU A 4 -4.817 8.119 7.184 1.00 21.23 C ATOM 52 O LEU A 4 -5.107 7.762 6.045 1.00 1.32 O ATOM 53 CB LEU A 4 -3.113 6.771 8.414 1.00 73.33 C ATOM 54 CG LEU A 4 -1.645 6.475 8.718 1.00 73.13 C ATOM 55 CD1 LEU A 4 -1.516 5.186 9.510 1.00 53.22 C ATOM 56 CD2 LEU A 4 -0.842 6.384 7.431 1.00 5.34 C ATOM 0 H LEU A 4 -2.704 8.981 9.420 1.00 70.45 H new ATOM 0 HA LEU A 4 -2.721 8.111 6.778 1.00 12.02 H new ATOM 0 HB2 LEU A 4 -3.664 6.803 9.354 1.00 73.33 H new ATOM 0 HB3 LEU A 4 -3.522 5.944 7.833 1.00 73.33 H new ATOM 0 HG LEU A 4 -1.247 7.294 9.318 1.00 73.13 H new ATOM 0 HD11 LEU A 4 -0.464 4.990 9.718 1.00 53.22 H new ATOM 0 HD12 LEU A 4 -2.060 5.280 10.450 1.00 53.22 H new ATOM 0 HD13 LEU A 4 -1.931 4.361 8.932 1.00 53.22 H new ATOM 0 HD21 LEU A 4 0.201 6.173 7.667 1.00 5.34 H new ATOM 0 HD22 LEU A 4 -1.242 5.584 6.808 1.00 5.34 H new ATOM 0 HD23 LEU A 4 -0.908 7.330 6.893 1.00 5.34 H new ATOM 68 N LYS A 5 -5.725 8.567 8.052 1.00 53.44 N ATOM 69 CA LYS A 5 -7.134 8.654 7.687 1.00 34.21 C ATOM 70 C LYS A 5 -7.311 9.651 6.552 1.00 53.34 C ATOM 71 O LYS A 5 -7.995 9.376 5.570 1.00 74.00 O ATOM 72 CB LYS A 5 -7.997 9.066 8.883 1.00 63.01 C ATOM 73 CG LYS A 5 -9.488 9.054 8.575 1.00 21.01 C ATOM 74 CD LYS A 5 -10.327 9.391 9.797 1.00 11.21 C ATOM 75 CE LYS A 5 -10.185 10.849 10.204 1.00 11.42 C ATOM 76 NZ LYS A 5 -10.701 11.779 9.164 1.00 73.42 N ATOM 0 H LYS A 5 -5.511 8.871 9.002 1.00 53.44 H new ATOM 0 HA LYS A 5 -7.461 7.666 7.361 1.00 34.21 H new ATOM 0 HB2 LYS A 5 -7.799 8.392 9.716 1.00 63.01 H new ATOM 0 HB3 LYS A 5 -7.707 10.066 9.206 1.00 63.01 H new ATOM 0 HG2 LYS A 5 -9.700 9.771 7.782 1.00 21.01 H new ATOM 0 HG3 LYS A 5 -9.772 8.071 8.200 1.00 21.01 H new ATOM 0 HD2 LYS A 5 -11.375 9.174 9.588 1.00 11.21 H new ATOM 0 HD3 LYS A 5 -10.029 8.752 10.628 1.00 11.21 H new ATOM 0 HE2 LYS A 5 -10.722 11.017 11.137 1.00 11.42 H new ATOM 0 HE3 LYS A 5 -9.135 11.069 10.397 1.00 11.42 H new ATOM 0 HZ1 LYS A 5 -10.821 12.727 9.575 1.00 73.42 H new ATOM 0 HZ2 LYS A 5 -10.026 11.826 8.375 1.00 73.42 H new ATOM 0 HZ3 LYS A 5 -11.618 11.435 8.815 1.00 73.42 H new ATOM 90 N THR A 6 -6.662 10.797 6.691 1.00 43.24 N ATOM 91 CA THR A 6 -6.663 11.820 5.658 1.00 3.32 C ATOM 92 C THR A 6 -6.155 11.254 4.333 1.00 21.21 C ATOM 93 O THR A 6 -6.715 11.527 3.269 1.00 63.04 O ATOM 94 CB THR A 6 -5.788 13.009 6.094 1.00 54.24 C ATOM 95 OG1 THR A 6 -6.356 13.609 7.270 1.00 5.21 O ATOM 96 CG2 THR A 6 -5.664 14.042 4.988 1.00 63.00 C ATOM 0 H THR A 6 -6.122 11.043 7.520 1.00 43.24 H new ATOM 0 HA THR A 6 -7.688 12.163 5.514 1.00 3.32 H new ATOM 0 HB THR A 6 -4.786 12.640 6.314 1.00 54.24 H new ATOM 0 HG1 THR A 6 -5.801 14.366 7.552 1.00 5.21 H new ATOM 0 HG21 THR A 6 -5.040 14.868 5.330 1.00 63.00 H new ATOM 0 HG22 THR A 6 -5.210 13.583 4.110 1.00 63.00 H new ATOM 0 HG23 THR A 6 -6.654 14.418 4.729 1.00 63.00 H new ATOM 104 N ILE A 7 -5.106 10.447 4.420 1.00 21.31 N ATOM 105 CA ILE A 7 -4.533 9.791 3.255 1.00 54.10 C ATOM 106 C ILE A 7 -5.550 8.853 2.605 1.00 54.14 C ATOM 107 O ILE A 7 -5.705 8.843 1.382 1.00 53.23 O ATOM 108 CB ILE A 7 -3.265 9.009 3.655 1.00 41.51 C ATOM 109 CG1 ILE A 7 -2.202 9.988 4.155 1.00 51.31 C ATOM 110 CG2 ILE A 7 -2.738 8.190 2.487 1.00 22.10 C ATOM 111 CD1 ILE A 7 -1.044 9.330 4.871 1.00 74.12 C ATOM 0 H ILE A 7 -4.631 10.230 5.296 1.00 21.31 H new ATOM 0 HA ILE A 7 -4.262 10.557 2.529 1.00 54.10 H new ATOM 0 HB ILE A 7 -3.516 8.313 4.456 1.00 41.51 H new ATOM 0 HG12 ILE A 7 -1.817 10.553 3.307 1.00 51.31 H new ATOM 0 HG13 ILE A 7 -2.672 10.705 4.829 1.00 51.31 H new ATOM 0 HG21 ILE A 7 -1.844 7.649 2.796 1.00 22.10 H new ATOM 0 HG22 ILE A 7 -3.500 7.479 2.168 1.00 22.10 H new ATOM 0 HG23 ILE A 7 -2.492 8.854 1.659 1.00 22.10 H new ATOM 0 HD11 ILE A 7 -0.335 10.093 5.194 1.00 74.12 H new ATOM 0 HD12 ILE A 7 -1.415 8.788 5.741 1.00 74.12 H new ATOM 0 HD13 ILE A 7 -0.546 8.634 4.195 1.00 74.12 H new ATOM 123 N LYS A 8 -6.257 8.089 3.435 1.00 32.15 N ATOM 124 CA LYS A 8 -7.304 7.189 2.956 1.00 65.53 C ATOM 125 C LYS A 8 -8.363 7.967 2.183 1.00 1.43 C ATOM 126 O LYS A 8 -8.782 7.558 1.099 1.00 44.42 O ATOM 127 CB LYS A 8 -7.956 6.453 4.132 1.00 23.44 C ATOM 128 CG LYS A 8 -6.987 5.594 4.920 1.00 53.51 C ATOM 129 CD LYS A 8 -7.643 5.003 6.156 1.00 14.42 C ATOM 130 CE LYS A 8 -6.669 4.130 6.935 1.00 30.02 C ATOM 131 NZ LYS A 8 -7.301 3.509 8.130 1.00 34.51 N ATOM 0 H LYS A 8 -6.123 8.075 4.446 1.00 32.15 H new ATOM 0 HA LYS A 8 -6.847 6.457 2.290 1.00 65.53 H new ATOM 0 HB2 LYS A 8 -8.409 7.184 4.802 1.00 23.44 H new ATOM 0 HB3 LYS A 8 -8.762 5.824 3.755 1.00 23.44 H new ATOM 0 HG2 LYS A 8 -6.614 4.790 4.286 1.00 53.51 H new ATOM 0 HG3 LYS A 8 -6.126 6.193 5.215 1.00 53.51 H new ATOM 0 HD2 LYS A 8 -8.007 5.806 6.796 1.00 14.42 H new ATOM 0 HD3 LYS A 8 -8.510 4.412 5.863 1.00 14.42 H new ATOM 0 HE2 LYS A 8 -6.284 3.347 6.282 1.00 30.02 H new ATOM 0 HE3 LYS A 8 -5.816 4.732 7.249 1.00 30.02 H new ATOM 0 HZ1 LYS A 8 -6.770 2.656 8.400 1.00 34.51 H new ATOM 0 HZ2 LYS A 8 -7.292 4.187 8.919 1.00 34.51 H new ATOM 0 HZ3 LYS A 8 -8.283 3.249 7.908 1.00 34.51 H new ATOM 145 N GLU A 9 -8.767 9.104 2.738 1.00 61.11 N ATOM 146 CA GLU A 9 -9.770 9.951 2.108 1.00 52.23 C ATOM 147 C GLU A 9 -9.264 10.467 0.765 1.00 42.35 C ATOM 148 O GLU A 9 -10.017 10.551 -0.202 1.00 4.23 O ATOM 149 CB GLU A 9 -10.123 11.131 3.018 1.00 13.21 C ATOM 150 CG GLU A 9 -10.488 10.730 4.441 1.00 23.33 C ATOM 151 CD GLU A 9 -11.709 9.835 4.513 1.00 50.43 C ATOM 152 OE1 GLU A 9 -11.580 8.618 4.277 1.00 33.24 O ATOM 153 OE2 GLU A 9 -12.802 10.344 4.825 1.00 32.40 O ATOM 0 H GLU A 9 -8.413 9.460 3.626 1.00 61.11 H new ATOM 0 HA GLU A 9 -10.666 9.353 1.942 1.00 52.23 H new ATOM 0 HB2 GLU A 9 -9.276 11.817 3.051 1.00 13.21 H new ATOM 0 HB3 GLU A 9 -10.959 11.677 2.580 1.00 13.21 H new ATOM 0 HG2 GLU A 9 -9.641 10.216 4.896 1.00 23.33 H new ATOM 0 HG3 GLU A 9 -10.669 11.629 5.030 1.00 23.33 H new ATOM 160 N LEU A 10 -7.981 10.804 0.710 1.00 62.22 N ATOM 161 CA LEU A 10 -7.366 11.296 -0.517 1.00 11.23 C ATOM 162 C LEU A 10 -7.389 10.223 -1.602 1.00 42.30 C ATOM 163 O LEU A 10 -7.725 10.501 -2.754 1.00 34.42 O ATOM 164 CB LEU A 10 -5.928 11.746 -0.253 1.00 15.32 C ATOM 165 CG LEU A 10 -5.782 12.954 0.675 1.00 65.43 C ATOM 166 CD1 LEU A 10 -4.321 13.196 1.005 1.00 2.31 C ATOM 167 CD2 LEU A 10 -6.391 14.194 0.036 1.00 32.52 C ATOM 0 H LEU A 10 -7.344 10.745 1.504 1.00 62.22 H new ATOM 0 HA LEU A 10 -7.943 12.153 -0.865 1.00 11.23 H new ATOM 0 HB2 LEU A 10 -5.376 10.910 0.176 1.00 15.32 H new ATOM 0 HB3 LEU A 10 -5.457 11.982 -1.207 1.00 15.32 H new ATOM 0 HG LEU A 10 -6.317 12.742 1.601 1.00 65.43 H new ATOM 0 HD11 LEU A 10 -4.235 14.059 1.666 1.00 2.31 H new ATOM 0 HD12 LEU A 10 -3.910 12.317 1.501 1.00 2.31 H new ATOM 0 HD13 LEU A 10 -3.767 13.387 0.086 1.00 2.31 H new ATOM 0 HD21 LEU A 10 -6.278 15.043 0.710 1.00 32.52 H new ATOM 0 HD22 LEU A 10 -5.882 14.406 -0.904 1.00 32.52 H new ATOM 0 HD23 LEU A 10 -7.450 14.022 -0.156 1.00 32.52 H new ATOM 179 N ILE A 11 -7.046 8.999 -1.223 1.00 42.31 N ATOM 180 CA ILE A 11 -7.026 7.880 -2.156 1.00 24.04 C ATOM 181 C ILE A 11 -8.424 7.599 -2.704 1.00 2.10 C ATOM 182 O ILE A 11 -8.592 7.329 -3.892 1.00 12.23 O ATOM 183 CB ILE A 11 -6.465 6.606 -1.484 1.00 2.14 C ATOM 184 CG1 ILE A 11 -5.049 6.862 -0.967 1.00 60.22 C ATOM 185 CG2 ILE A 11 -6.468 5.440 -2.459 1.00 0.25 C ATOM 186 CD1 ILE A 11 -4.509 5.757 -0.085 1.00 31.31 C ATOM 0 H ILE A 11 -6.776 8.755 -0.270 1.00 42.31 H new ATOM 0 HA ILE A 11 -6.373 8.157 -2.983 1.00 24.04 H new ATOM 0 HB ILE A 11 -7.106 6.350 -0.641 1.00 2.14 H new ATOM 0 HG12 ILE A 11 -4.380 6.994 -1.818 1.00 60.22 H new ATOM 0 HG13 ILE A 11 -5.041 7.797 -0.407 1.00 60.22 H new ATOM 0 HG21 ILE A 11 -6.069 4.553 -1.967 1.00 0.25 H new ATOM 0 HG22 ILE A 11 -7.488 5.244 -2.789 1.00 0.25 H new ATOM 0 HG23 ILE A 11 -5.848 5.685 -3.322 1.00 0.25 H new ATOM 0 HD11 ILE A 11 -3.501 6.012 0.242 1.00 31.31 H new ATOM 0 HD12 ILE A 11 -5.154 5.639 0.786 1.00 31.31 H new ATOM 0 HD13 ILE A 11 -4.483 4.823 -0.647 1.00 31.31 H new ATOM 198 N ASN A 12 -9.426 7.686 -1.839 1.00 12.22 N ATOM 199 CA ASN A 12 -10.806 7.429 -2.246 1.00 42.00 C ATOM 200 C ASN A 12 -11.333 8.544 -3.147 1.00 21.04 C ATOM 201 O ASN A 12 -12.269 8.339 -3.922 1.00 65.20 O ATOM 202 CB ASN A 12 -11.710 7.268 -1.023 1.00 61.44 C ATOM 203 CG ASN A 12 -11.392 6.017 -0.224 1.00 25.42 C ATOM 204 OD1 ASN A 12 -10.908 5.022 -0.767 1.00 41.11 O ATOM 205 ND2 ASN A 12 -11.666 6.057 1.070 1.00 41.34 N ATOM 0 H ASN A 12 -9.313 7.931 -0.855 1.00 12.22 H new ATOM 0 HA ASN A 12 -10.815 6.498 -2.814 1.00 42.00 H new ATOM 0 HB2 ASN A 12 -11.605 8.142 -0.380 1.00 61.44 H new ATOM 0 HB3 ASN A 12 -12.750 7.234 -1.346 1.00 61.44 H new ATOM 0 HD21 ASN A 12 -11.477 5.244 1.657 1.00 41.34 H new ATOM 0 HD22 ASN A 12 -12.066 6.900 1.481 1.00 41.34 H new ATOM 212 N GLN A 13 -10.735 9.725 -3.038 1.00 13.23 N ATOM 213 CA GLN A 13 -11.076 10.843 -3.913 1.00 73.43 C ATOM 214 C GLN A 13 -10.404 10.687 -5.271 1.00 3.21 C ATOM 215 O GLN A 13 -11.064 10.684 -6.311 1.00 23.35 O ATOM 216 CB GLN A 13 -10.658 12.171 -3.277 1.00 50.21 C ATOM 217 CG GLN A 13 -11.518 12.580 -2.094 1.00 40.52 C ATOM 218 CD GLN A 13 -10.944 13.760 -1.332 1.00 35.21 C ATOM 219 OE1 GLN A 13 -11.215 14.917 -1.650 1.00 61.21 O ATOM 220 NE2 GLN A 13 -10.152 13.471 -0.313 1.00 64.22 N ATOM 0 H GLN A 13 -10.010 9.934 -2.351 1.00 13.23 H new ATOM 0 HA GLN A 13 -12.157 10.844 -4.054 1.00 73.43 H new ATOM 0 HB2 GLN A 13 -9.620 12.097 -2.952 1.00 50.21 H new ATOM 0 HB3 GLN A 13 -10.700 12.955 -4.033 1.00 50.21 H new ATOM 0 HG2 GLN A 13 -12.518 12.833 -2.447 1.00 40.52 H new ATOM 0 HG3 GLN A 13 -11.624 11.732 -1.417 1.00 40.52 H new ATOM 0 HE21 GLN A 13 -9.952 12.498 -0.082 1.00 64.22 H new ATOM 0 HE22 GLN A 13 -9.741 14.221 0.242 1.00 64.22 H new ATOM 229 N GLY A 14 -9.094 10.524 -5.247 1.00 45.12 N ATOM 230 CA GLY A 14 -8.325 10.459 -6.471 1.00 24.41 C ATOM 231 C GLY A 14 -6.975 11.117 -6.301 1.00 61.33 C ATOM 232 O GLY A 14 -6.140 11.108 -7.208 1.00 44.04 O ATOM 0 H GLY A 14 -8.543 10.435 -4.393 1.00 45.12 H new ATOM 0 HA2 GLY A 14 -8.191 9.418 -6.765 1.00 24.41 H new ATOM 0 HA3 GLY A 14 -8.873 10.950 -7.275 1.00 24.41 H new ATOM 236 N ASP A 15 -6.757 11.675 -5.119 1.00 52.13 N ATOM 237 CA ASP A 15 -5.507 12.347 -4.790 1.00 25.25 C ATOM 238 C ASP A 15 -4.448 11.336 -4.364 1.00 43.04 C ATOM 239 O ASP A 15 -3.827 11.481 -3.312 1.00 44.10 O ATOM 240 CB ASP A 15 -5.737 13.358 -3.665 1.00 24.14 C ATOM 241 CG ASP A 15 -6.612 14.517 -4.088 1.00 63.31 C ATOM 242 OD1 ASP A 15 -7.843 14.335 -4.193 1.00 41.24 O ATOM 243 OD2 ASP A 15 -6.072 15.619 -4.315 1.00 54.12 O ATOM 0 H ASP A 15 -7.440 11.675 -4.362 1.00 52.13 H new ATOM 0 HA ASP A 15 -5.153 12.869 -5.679 1.00 25.25 H new ATOM 0 HB2 ASP A 15 -6.197 12.852 -2.817 1.00 24.14 H new ATOM 0 HB3 ASP A 15 -4.775 13.741 -3.324 1.00 24.14 H new ATOM 248 N ILE A 16 -4.244 10.321 -5.196 1.00 62.34 N ATOM 249 CA ILE A 16 -3.297 9.249 -4.912 1.00 71.43 C ATOM 250 C ILE A 16 -1.890 9.789 -4.643 1.00 63.20 C ATOM 251 O ILE A 16 -1.259 9.405 -3.660 1.00 14.21 O ATOM 252 CB ILE A 16 -3.266 8.208 -6.064 1.00 24.01 C ATOM 253 CG1 ILE A 16 -4.363 7.150 -5.878 1.00 31.43 C ATOM 254 CG2 ILE A 16 -1.907 7.526 -6.165 1.00 74.11 C ATOM 255 CD1 ILE A 16 -5.772 7.695 -5.846 1.00 53.15 C ATOM 0 H ILE A 16 -4.731 10.218 -6.087 1.00 62.34 H new ATOM 0 HA ILE A 16 -3.642 8.752 -4.006 1.00 71.43 H new ATOM 0 HB ILE A 16 -3.449 8.751 -6.991 1.00 24.01 H new ATOM 0 HG12 ILE A 16 -4.288 6.424 -6.687 1.00 31.43 H new ATOM 0 HG13 ILE A 16 -4.175 6.612 -4.949 1.00 31.43 H new ATOM 0 HG21 ILE A 16 -1.922 6.804 -6.982 1.00 74.11 H new ATOM 0 HG22 ILE A 16 -1.138 8.274 -6.356 1.00 74.11 H new ATOM 0 HG23 ILE A 16 -1.688 7.011 -5.230 1.00 74.11 H new ATOM 0 HD11 ILE A 16 -6.477 6.874 -5.711 1.00 53.15 H new ATOM 0 HD12 ILE A 16 -5.871 8.398 -5.019 1.00 53.15 H new ATOM 0 HD13 ILE A 16 -5.986 8.206 -6.785 1.00 53.15 H new ATOM 267 N GLU A 17 -1.409 10.696 -5.487 1.00 30.55 N ATOM 268 CA GLU A 17 -0.054 11.216 -5.330 1.00 71.35 C ATOM 269 C GLU A 17 0.064 12.074 -4.079 1.00 34.34 C ATOM 270 O GLU A 17 1.109 12.095 -3.428 1.00 52.40 O ATOM 271 CB GLU A 17 0.385 12.006 -6.560 1.00 30.22 C ATOM 272 CG GLU A 17 0.593 11.140 -7.789 1.00 64.02 C ATOM 273 CD GLU A 17 1.430 11.830 -8.842 1.00 52.15 C ATOM 274 OE1 GLU A 17 2.669 11.859 -8.689 1.00 14.34 O ATOM 275 OE2 GLU A 17 0.859 12.342 -9.827 1.00 31.41 O ATOM 0 H GLU A 17 -1.928 11.082 -6.276 1.00 30.55 H new ATOM 0 HA GLU A 17 0.611 10.359 -5.222 1.00 71.35 H new ATOM 0 HB2 GLU A 17 -0.365 12.765 -6.782 1.00 30.22 H new ATOM 0 HB3 GLU A 17 1.313 12.531 -6.333 1.00 30.22 H new ATOM 0 HG2 GLU A 17 1.077 10.208 -7.496 1.00 64.02 H new ATOM 0 HG3 GLU A 17 -0.376 10.876 -8.213 1.00 64.02 H new ATOM 282 N ASN A 18 -1.013 12.771 -3.734 1.00 25.14 N ATOM 283 CA ASN A 18 -1.035 13.563 -2.509 1.00 41.25 C ATOM 284 C ASN A 18 -1.036 12.636 -1.302 1.00 63.54 C ATOM 285 O ASN A 18 -0.388 12.903 -0.290 1.00 11.22 O ATOM 286 CB ASN A 18 -2.255 14.491 -2.468 1.00 2.44 C ATOM 287 CG ASN A 18 -2.173 15.611 -3.490 1.00 73.12 C ATOM 288 OD1 ASN A 18 -1.087 16.048 -3.862 1.00 24.21 O ATOM 289 ND2 ASN A 18 -3.320 16.083 -3.956 1.00 61.20 N ATOM 0 H ASN A 18 -1.875 12.804 -4.279 1.00 25.14 H new ATOM 0 HA ASN A 18 -0.142 14.188 -2.486 1.00 41.25 H new ATOM 0 HB2 ASN A 18 -3.157 13.906 -2.647 1.00 2.44 H new ATOM 0 HB3 ASN A 18 -2.346 14.921 -1.470 1.00 2.44 H new ATOM 0 HD21 ASN A 18 -3.320 16.834 -4.647 1.00 61.20 H new ATOM 0 HD22 ASN A 18 -4.203 15.696 -3.624 1.00 61.20 H new ATOM 296 N ALA A 19 -1.759 11.532 -1.436 1.00 53.13 N ATOM 297 CA ALA A 19 -1.812 10.509 -0.406 1.00 23.24 C ATOM 298 C ALA A 19 -0.448 9.854 -0.224 1.00 11.11 C ATOM 299 O ALA A 19 0.062 9.765 0.890 1.00 65.14 O ATOM 300 CB ALA A 19 -2.852 9.465 -0.769 1.00 25.31 C ATOM 0 H ALA A 19 -2.323 11.323 -2.260 1.00 53.13 H new ATOM 0 HA ALA A 19 -2.092 10.979 0.537 1.00 23.24 H new ATOM 0 HB1 ALA A 19 -2.887 8.701 0.007 1.00 25.31 H new ATOM 0 HB2 ALA A 19 -3.829 9.940 -0.855 1.00 25.31 H new ATOM 0 HB3 ALA A 19 -2.588 9.004 -1.721 1.00 25.31 H new ATOM 306 N LEU A 20 0.141 9.412 -1.333 1.00 65.31 N ATOM 307 CA LEU A 20 1.452 8.765 -1.315 1.00 2.05 C ATOM 308 C LEU A 20 2.501 9.684 -0.710 1.00 0.31 C ATOM 309 O LEU A 20 3.343 9.249 0.074 1.00 43.52 O ATOM 310 CB LEU A 20 1.878 8.365 -2.730 1.00 75.22 C ATOM 311 CG LEU A 20 0.978 7.336 -3.414 1.00 20.22 C ATOM 312 CD1 LEU A 20 1.457 7.074 -4.833 1.00 54.42 C ATOM 313 CD2 LEU A 20 0.940 6.044 -2.613 1.00 51.44 C ATOM 0 H LEU A 20 -0.272 9.491 -2.262 1.00 65.31 H new ATOM 0 HA LEU A 20 1.370 7.868 -0.700 1.00 2.05 H new ATOM 0 HB2 LEU A 20 1.913 9.262 -3.349 1.00 75.22 H new ATOM 0 HB3 LEU A 20 2.892 7.967 -2.688 1.00 75.22 H new ATOM 0 HG LEU A 20 -0.034 7.738 -3.461 1.00 20.22 H new ATOM 0 HD11 LEU A 20 0.806 6.339 -5.307 1.00 54.42 H new ATOM 0 HD12 LEU A 20 1.431 8.003 -5.403 1.00 54.42 H new ATOM 0 HD13 LEU A 20 2.478 6.692 -4.808 1.00 54.42 H new ATOM 0 HD21 LEU A 20 0.294 5.323 -3.115 1.00 51.44 H new ATOM 0 HD22 LEU A 20 1.947 5.635 -2.534 1.00 51.44 H new ATOM 0 HD23 LEU A 20 0.551 6.246 -1.615 1.00 51.44 H new ATOM 325 N GLN A 21 2.437 10.958 -1.076 1.00 45.30 N ATOM 326 CA GLN A 21 3.352 11.952 -0.549 1.00 30.13 C ATOM 327 C GLN A 21 3.264 11.999 0.971 1.00 62.55 C ATOM 328 O GLN A 21 4.272 11.878 1.666 1.00 50.33 O ATOM 329 CB GLN A 21 3.021 13.324 -1.132 1.00 41.12 C ATOM 330 CG GLN A 21 4.231 14.051 -1.681 1.00 54.43 C ATOM 331 CD GLN A 21 4.801 13.391 -2.926 1.00 52.44 C ATOM 332 OE1 GLN A 21 6.005 13.446 -3.177 1.00 60.14 O ATOM 333 NE2 GLN A 21 3.941 12.771 -3.720 1.00 2.41 N ATOM 0 H GLN A 21 1.755 11.325 -1.740 1.00 45.30 H new ATOM 0 HA GLN A 21 4.368 11.678 -0.833 1.00 30.13 H new ATOM 0 HB2 GLN A 21 2.286 13.205 -1.928 1.00 41.12 H new ATOM 0 HB3 GLN A 21 2.558 13.937 -0.359 1.00 41.12 H new ATOM 0 HG2 GLN A 21 3.956 15.080 -1.914 1.00 54.43 H new ATOM 0 HG3 GLN A 21 5.003 14.094 -0.913 1.00 54.43 H new ATOM 0 HE21 GLN A 21 2.950 12.747 -3.479 1.00 2.41 H new ATOM 0 HE22 GLN A 21 4.269 12.318 -4.573 1.00 2.41 H new ATOM 342 N ALA A 22 2.044 12.145 1.475 1.00 1.35 N ATOM 343 CA ALA A 22 1.807 12.219 2.909 1.00 1.14 C ATOM 344 C ALA A 22 2.144 10.897 3.596 1.00 4.23 C ATOM 345 O ALA A 22 2.546 10.877 4.759 1.00 54.23 O ATOM 346 CB ALA A 22 0.365 12.615 3.175 1.00 51.34 C ATOM 0 H ALA A 22 1.200 12.215 0.907 1.00 1.35 H new ATOM 0 HA ALA A 22 2.465 12.981 3.328 1.00 1.14 H new ATOM 0 HB1 ALA A 22 0.195 12.668 4.250 1.00 51.34 H new ATOM 0 HB2 ALA A 22 0.167 13.589 2.727 1.00 51.34 H new ATOM 0 HB3 ALA A 22 -0.303 11.872 2.738 1.00 51.34 H new ATOM 352 N LEU A 23 1.979 9.797 2.874 1.00 52.31 N ATOM 353 CA LEU A 23 2.342 8.482 3.387 1.00 60.41 C ATOM 354 C LEU A 23 3.829 8.419 3.714 1.00 43.01 C ATOM 355 O LEU A 23 4.213 7.964 4.790 1.00 63.34 O ATOM 356 CB LEU A 23 1.971 7.390 2.380 1.00 4.14 C ATOM 357 CG LEU A 23 0.486 7.036 2.336 1.00 31.14 C ATOM 358 CD1 LEU A 23 0.156 6.253 1.077 1.00 45.01 C ATOM 359 CD2 LEU A 23 0.098 6.237 3.568 1.00 33.30 C ATOM 0 H LEU A 23 1.595 9.789 1.929 1.00 52.31 H new ATOM 0 HA LEU A 23 1.782 8.311 4.306 1.00 60.41 H new ATOM 0 HB2 LEU A 23 2.283 7.711 1.386 1.00 4.14 H new ATOM 0 HB3 LEU A 23 2.538 6.490 2.617 1.00 4.14 H new ATOM 0 HG LEU A 23 -0.086 7.964 2.323 1.00 31.14 H new ATOM 0 HD11 LEU A 23 -0.907 6.012 1.067 1.00 45.01 H new ATOM 0 HD12 LEU A 23 0.400 6.853 0.201 1.00 45.01 H new ATOM 0 HD13 LEU A 23 0.738 5.331 1.059 1.00 45.01 H new ATOM 0 HD21 LEU A 23 -0.963 5.992 3.523 1.00 33.30 H new ATOM 0 HD22 LEU A 23 0.682 5.317 3.604 1.00 33.30 H new ATOM 0 HD23 LEU A 23 0.296 6.828 4.462 1.00 33.30 H new ATOM 371 N GLU A 24 4.660 8.902 2.795 1.00 51.34 N ATOM 372 CA GLU A 24 6.101 8.927 3.017 1.00 62.10 C ATOM 373 C GLU A 24 6.444 9.875 4.163 1.00 12.11 C ATOM 374 O GLU A 24 7.347 9.606 4.956 1.00 4.33 O ATOM 375 CB GLU A 24 6.839 9.343 1.744 1.00 63.12 C ATOM 376 CG GLU A 24 6.528 8.461 0.546 1.00 23.54 C ATOM 377 CD GLU A 24 7.422 8.756 -0.637 1.00 1.03 C ATOM 378 OE1 GLU A 24 7.467 9.922 -1.080 1.00 24.21 O ATOM 379 OE2 GLU A 24 8.086 7.822 -1.131 1.00 3.43 O ATOM 0 H GLU A 24 4.362 9.279 1.895 1.00 51.34 H new ATOM 0 HA GLU A 24 6.424 7.921 3.286 1.00 62.10 H new ATOM 0 HB2 GLU A 24 6.579 10.374 1.503 1.00 63.12 H new ATOM 0 HB3 GLU A 24 7.912 9.321 1.932 1.00 63.12 H new ATOM 0 HG2 GLU A 24 6.640 7.415 0.830 1.00 23.54 H new ATOM 0 HG3 GLU A 24 5.487 8.602 0.255 1.00 23.54 H new ATOM 386 N GLU A 25 5.704 10.977 4.247 1.00 32.42 N ATOM 387 CA GLU A 25 5.856 11.925 5.348 1.00 64.41 C ATOM 388 C GLU A 25 5.527 11.251 6.678 1.00 63.40 C ATOM 389 O GLU A 25 6.199 11.476 7.686 1.00 35.12 O ATOM 390 CB GLU A 25 4.934 13.130 5.140 1.00 43.12 C ATOM 391 CG GLU A 25 5.222 13.921 3.874 1.00 11.34 C ATOM 392 CD GLU A 25 6.554 14.638 3.922 1.00 64.00 C ATOM 393 OE1 GLU A 25 6.628 15.711 4.556 1.00 72.12 O ATOM 394 OE2 GLU A 25 7.527 14.142 3.321 1.00 55.10 O ATOM 0 H GLU A 25 4.992 11.236 3.565 1.00 32.42 H new ATOM 0 HA GLU A 25 6.891 12.266 5.369 1.00 64.41 H new ATOM 0 HB2 GLU A 25 3.901 12.783 5.112 1.00 43.12 H new ATOM 0 HB3 GLU A 25 5.023 13.795 5.999 1.00 43.12 H new ATOM 0 HG2 GLU A 25 5.208 13.246 3.018 1.00 11.34 H new ATOM 0 HG3 GLU A 25 4.427 14.650 3.718 1.00 11.34 H new ATOM 401 N PHE A 26 4.492 10.419 6.667 1.00 13.55 N ATOM 402 CA PHE A 26 4.063 9.702 7.860 1.00 23.01 C ATOM 403 C PHE A 26 5.128 8.701 8.297 1.00 24.43 C ATOM 404 O PHE A 26 5.328 8.478 9.493 1.00 45.31 O ATOM 405 CB PHE A 26 2.737 8.981 7.597 1.00 22.53 C ATOM 406 CG PHE A 26 2.166 8.300 8.810 1.00 25.45 C ATOM 407 CD1 PHE A 26 1.361 9.000 9.695 1.00 4.13 C ATOM 408 CD2 PHE A 26 2.435 6.965 9.068 1.00 63.44 C ATOM 409 CE1 PHE A 26 0.837 8.382 10.813 1.00 44.13 C ATOM 410 CE2 PHE A 26 1.914 6.343 10.186 1.00 72.01 C ATOM 411 CZ PHE A 26 1.114 7.053 11.059 1.00 14.40 C ATOM 0 H PHE A 26 3.931 10.224 5.838 1.00 13.55 H new ATOM 0 HA PHE A 26 3.918 10.425 8.663 1.00 23.01 H new ATOM 0 HB2 PHE A 26 2.011 9.701 7.221 1.00 22.53 H new ATOM 0 HB3 PHE A 26 2.887 8.240 6.812 1.00 22.53 H new ATOM 0 HD1 PHE A 26 1.141 10.041 9.508 1.00 4.13 H new ATOM 0 HD2 PHE A 26 3.059 6.405 8.387 1.00 63.44 H new ATOM 0 HE1 PHE A 26 0.211 8.939 11.494 1.00 44.13 H new ATOM 0 HE2 PHE A 26 2.132 5.303 10.377 1.00 72.01 H new ATOM 0 HZ PHE A 26 0.705 6.569 11.934 1.00 14.40 H new ATOM 421 N LEU A 27 5.820 8.119 7.322 1.00 31.44 N ATOM 422 CA LEU A 27 6.880 7.153 7.595 1.00 61.24 C ATOM 423 C LEU A 27 7.984 7.780 8.443 1.00 53.30 C ATOM 424 O LEU A 27 8.691 7.087 9.175 1.00 51.21 O ATOM 425 CB LEU A 27 7.484 6.637 6.284 1.00 33.34 C ATOM 426 CG LEU A 27 6.496 5.989 5.311 1.00 53.32 C ATOM 427 CD1 LEU A 27 7.212 5.547 4.044 1.00 71.15 C ATOM 428 CD2 LEU A 27 5.790 4.810 5.961 1.00 55.33 C ATOM 0 H LEU A 27 5.665 8.301 6.330 1.00 31.44 H new ATOM 0 HA LEU A 27 6.438 6.322 8.145 1.00 61.24 H new ATOM 0 HB2 LEU A 27 7.972 7.469 5.777 1.00 33.34 H new ATOM 0 HB3 LEU A 27 8.260 5.910 6.524 1.00 33.34 H new ATOM 0 HG LEU A 27 5.743 6.731 5.045 1.00 53.32 H new ATOM 0 HD11 LEU A 27 6.496 5.088 3.362 1.00 71.15 H new ATOM 0 HD12 LEU A 27 7.668 6.412 3.563 1.00 71.15 H new ATOM 0 HD13 LEU A 27 7.987 4.823 4.297 1.00 71.15 H new ATOM 0 HD21 LEU A 27 5.093 4.366 5.250 1.00 55.33 H new ATOM 0 HD22 LEU A 27 6.527 4.065 6.260 1.00 55.33 H new ATOM 0 HD23 LEU A 27 5.243 5.153 6.839 1.00 55.33 H new ATOM 440 N GLN A 28 8.124 9.097 8.340 1.00 70.12 N ATOM 441 CA GLN A 28 9.183 9.806 9.040 1.00 12.52 C ATOM 442 C GLN A 28 8.719 10.289 10.413 1.00 3.04 C ATOM 443 O GLN A 28 9.536 10.615 11.273 1.00 20.25 O ATOM 444 CB GLN A 28 9.672 10.998 8.211 1.00 64.31 C ATOM 445 CG GLN A 28 9.957 10.661 6.755 1.00 53.40 C ATOM 446 CD GLN A 28 10.858 9.453 6.589 1.00 21.03 C ATOM 447 OE1 GLN A 28 11.705 9.164 7.432 1.00 31.02 O ATOM 448 NE2 GLN A 28 10.671 8.735 5.495 1.00 22.34 N ATOM 0 H GLN A 28 7.516 9.693 7.778 1.00 70.12 H new ATOM 0 HA GLN A 28 10.006 9.106 9.183 1.00 12.52 H new ATOM 0 HB2 GLN A 28 8.922 11.788 8.251 1.00 64.31 H new ATOM 0 HB3 GLN A 28 10.579 11.397 8.666 1.00 64.31 H new ATOM 0 HG2 GLN A 28 9.014 10.477 6.240 1.00 53.40 H new ATOM 0 HG3 GLN A 28 10.421 11.522 6.273 1.00 53.40 H new ATOM 0 HE21 GLN A 28 9.957 9.010 4.820 1.00 22.34 H new ATOM 0 HE22 GLN A 28 11.241 7.906 5.325 1.00 22.34 H new ATOM 457 N THR A 29 7.410 10.332 10.629 1.00 13.01 N ATOM 458 CA THR A 29 6.888 10.840 11.887 1.00 71.13 C ATOM 459 C THR A 29 6.464 9.702 12.811 1.00 24.11 C ATOM 460 O THR A 29 6.794 9.714 13.996 1.00 71.55 O ATOM 461 CB THR A 29 5.725 11.848 11.681 1.00 62.53 C ATOM 462 OG1 THR A 29 5.275 12.362 12.944 1.00 43.21 O ATOM 463 CG2 THR A 29 4.549 11.225 10.943 1.00 71.14 C ATOM 0 H THR A 29 6.703 10.026 9.961 1.00 13.01 H new ATOM 0 HA THR A 29 7.702 11.384 12.366 1.00 71.13 H new ATOM 0 HB THR A 29 6.116 12.661 11.069 1.00 62.53 H new ATOM 0 HG1 THR A 29 4.543 12.997 12.797 1.00 43.21 H new ATOM 0 HG21 THR A 29 3.760 11.968 10.822 1.00 71.14 H new ATOM 0 HG22 THR A 29 4.876 10.881 9.962 1.00 71.14 H new ATOM 0 HG23 THR A 29 4.167 10.380 11.515 1.00 71.14 H new ATOM 471 N GLU A 30 5.767 8.707 12.271 1.00 15.55 N ATOM 472 CA GLU A 30 5.286 7.597 13.081 1.00 21.24 C ATOM 473 C GLU A 30 5.716 6.266 12.475 1.00 64.01 C ATOM 474 O GLU A 30 4.992 5.677 11.673 1.00 33.24 O ATOM 475 CB GLU A 30 3.759 7.629 13.214 1.00 72.31 C ATOM 476 CG GLU A 30 3.204 8.930 13.770 1.00 50.02 C ATOM 477 CD GLU A 30 3.766 9.281 15.131 1.00 74.03 C ATOM 478 OE1 GLU A 30 3.667 8.447 16.056 1.00 14.41 O ATOM 479 OE2 GLU A 30 4.310 10.397 15.282 1.00 42.04 O ATOM 0 H GLU A 30 5.525 8.648 11.282 1.00 15.55 H new ATOM 0 HA GLU A 30 5.725 7.700 14.073 1.00 21.24 H new ATOM 0 HB2 GLU A 30 3.317 7.449 12.234 1.00 72.31 H new ATOM 0 HB3 GLU A 30 3.446 6.809 13.860 1.00 72.31 H new ATOM 0 HG2 GLU A 30 3.423 9.739 13.073 1.00 50.02 H new ATOM 0 HG3 GLU A 30 2.119 8.855 13.840 1.00 50.02 H new ATOM 486 N PRO A 31 6.910 5.780 12.840 1.00 31.34 N ATOM 487 CA PRO A 31 7.430 4.502 12.339 1.00 2.04 C ATOM 488 C PRO A 31 6.616 3.311 12.841 1.00 24.12 C ATOM 489 O PRO A 31 6.604 2.243 12.226 1.00 32.43 O ATOM 490 CB PRO A 31 8.859 4.454 12.890 1.00 73.44 C ATOM 491 CG PRO A 31 8.851 5.365 14.071 1.00 11.23 C ATOM 492 CD PRO A 31 7.858 6.444 13.752 1.00 12.01 C ATOM 0 HA PRO A 31 7.382 4.439 11.252 1.00 2.04 H new ATOM 0 HB2 PRO A 31 9.137 3.440 13.176 1.00 73.44 H new ATOM 0 HB3 PRO A 31 9.581 4.784 12.143 1.00 73.44 H new ATOM 0 HG2 PRO A 31 8.567 4.828 14.976 1.00 11.23 H new ATOM 0 HG3 PRO A 31 9.841 5.785 14.247 1.00 11.23 H new ATOM 0 HD2 PRO A 31 7.361 6.811 14.650 1.00 12.01 H new ATOM 0 HD3 PRO A 31 8.336 7.302 13.279 1.00 12.01 H new ATOM 500 N VAL A 32 5.911 3.521 13.940 1.00 32.54 N ATOM 501 CA VAL A 32 5.138 2.467 14.584 1.00 31.02 C ATOM 502 C VAL A 32 3.824 2.205 13.835 1.00 54.35 C ATOM 503 O VAL A 32 3.107 1.247 14.124 1.00 11.15 O ATOM 504 CB VAL A 32 4.845 2.837 16.058 1.00 12.43 C ATOM 505 CG1 VAL A 32 3.840 3.978 16.144 1.00 73.20 C ATOM 506 CG2 VAL A 32 4.371 1.625 16.850 1.00 14.53 C ATOM 0 H VAL A 32 5.857 4.424 14.412 1.00 32.54 H new ATOM 0 HA VAL A 32 5.732 1.553 14.558 1.00 31.02 H new ATOM 0 HB VAL A 32 5.778 3.178 16.507 1.00 12.43 H new ATOM 0 HG11 VAL A 32 3.651 4.219 17.190 1.00 73.20 H new ATOM 0 HG12 VAL A 32 4.241 4.855 15.636 1.00 73.20 H new ATOM 0 HG13 VAL A 32 2.907 3.678 15.667 1.00 73.20 H new ATOM 0 HG21 VAL A 32 4.174 1.919 17.881 1.00 14.53 H new ATOM 0 HG22 VAL A 32 3.457 1.233 16.403 1.00 14.53 H new ATOM 0 HG23 VAL A 32 5.142 0.855 16.833 1.00 14.53 H new ATOM 516 N GLY A 33 3.520 3.054 12.860 1.00 14.15 N ATOM 517 CA GLY A 33 2.291 2.915 12.109 1.00 22.32 C ATOM 518 C GLY A 33 2.547 2.795 10.626 1.00 34.43 C ATOM 519 O GLY A 33 1.655 3.027 9.810 1.00 4.40 O ATOM 0 H GLY A 33 4.107 3.839 12.577 1.00 14.15 H new ATOM 0 HA2 GLY A 33 1.751 2.034 12.456 1.00 22.32 H new ATOM 0 HA3 GLY A 33 1.651 3.777 12.298 1.00 22.32 H new ATOM 523 N LYS A 34 3.771 2.424 10.267 1.00 10.04 N ATOM 524 CA LYS A 34 4.142 2.305 8.866 1.00 64.10 C ATOM 525 C LYS A 34 3.414 1.144 8.198 1.00 21.02 C ATOM 526 O LYS A 34 3.259 1.126 6.981 1.00 32.41 O ATOM 527 CB LYS A 34 5.654 2.128 8.707 1.00 51.24 C ATOM 528 CG LYS A 34 6.469 3.343 9.127 1.00 12.15 C ATOM 529 CD LYS A 34 7.927 3.217 8.698 1.00 34.15 C ATOM 530 CE LYS A 34 8.621 2.042 9.374 1.00 13.35 C ATOM 531 NZ LYS A 34 9.997 1.830 8.848 1.00 65.33 N ATOM 0 H LYS A 34 4.518 2.202 10.925 1.00 10.04 H new ATOM 0 HA LYS A 34 3.845 3.232 8.375 1.00 64.10 H new ATOM 0 HB2 LYS A 34 5.972 1.269 9.297 1.00 51.24 H new ATOM 0 HB3 LYS A 34 5.875 1.898 7.665 1.00 51.24 H new ATOM 0 HG2 LYS A 34 6.036 4.242 8.687 1.00 12.15 H new ATOM 0 HG3 LYS A 34 6.417 3.461 10.209 1.00 12.15 H new ATOM 0 HD2 LYS A 34 7.977 3.094 7.616 1.00 34.15 H new ATOM 0 HD3 LYS A 34 8.457 4.139 8.939 1.00 34.15 H new ATOM 0 HE2 LYS A 34 8.667 2.217 10.449 1.00 13.35 H new ATOM 0 HE3 LYS A 34 8.032 1.137 9.223 1.00 13.35 H new ATOM 0 HZ1 LYS A 34 10.434 1.021 9.334 1.00 65.33 H new ATOM 0 HZ2 LYS A 34 9.952 1.637 7.827 1.00 65.33 H new ATOM 0 HZ3 LYS A 34 10.568 2.683 9.014 1.00 65.33 H new ATOM 545 N ASP A 35 2.951 0.190 8.997 1.00 23.41 N ATOM 546 CA ASP A 35 2.290 -0.996 8.466 1.00 61.21 C ATOM 547 C ASP A 35 0.985 -0.623 7.765 1.00 75.14 C ATOM 548 O ASP A 35 0.695 -1.126 6.678 1.00 2.15 O ATOM 549 CB ASP A 35 2.042 -2.032 9.574 1.00 41.23 C ATOM 550 CG ASP A 35 1.094 -1.550 10.655 1.00 53.11 C ATOM 551 OD1 ASP A 35 1.387 -0.514 11.287 1.00 50.21 O ATOM 552 OD2 ASP A 35 0.057 -2.211 10.884 1.00 61.54 O ATOM 0 H ASP A 35 3.021 0.214 10.014 1.00 23.41 H new ATOM 0 HA ASP A 35 2.953 -1.448 7.728 1.00 61.21 H new ATOM 0 HB2 ASP A 35 1.638 -2.940 9.127 1.00 41.23 H new ATOM 0 HB3 ASP A 35 2.995 -2.298 10.031 1.00 41.23 H new ATOM 557 N GLU A 36 0.214 0.280 8.362 1.00 23.21 N ATOM 558 CA GLU A 36 -1.013 0.742 7.723 1.00 62.44 C ATOM 559 C GLU A 36 -0.670 1.663 6.556 1.00 1.21 C ATOM 560 O GLU A 36 -1.343 1.653 5.525 1.00 54.20 O ATOM 561 CB GLU A 36 -1.948 1.444 8.716 1.00 65.43 C ATOM 562 CG GLU A 36 -3.241 1.936 8.074 1.00 33.33 C ATOM 563 CD GLU A 36 -4.305 2.339 9.077 1.00 33.33 C ATOM 564 OE1 GLU A 36 -4.027 3.189 9.943 1.00 63.32 O ATOM 565 OE2 GLU A 36 -5.442 1.828 8.976 1.00 44.34 O ATOM 0 H GLU A 36 0.411 0.700 9.270 1.00 23.21 H new ATOM 0 HA GLU A 36 -1.548 -0.130 7.347 1.00 62.44 H new ATOM 0 HB2 GLU A 36 -2.190 0.756 9.526 1.00 65.43 H new ATOM 0 HB3 GLU A 36 -1.426 2.290 9.162 1.00 65.43 H new ATOM 0 HG2 GLU A 36 -3.017 2.789 7.433 1.00 33.33 H new ATOM 0 HG3 GLU A 36 -3.639 1.151 7.431 1.00 33.33 H new ATOM 572 N ALA A 37 0.396 2.439 6.720 1.00 34.43 N ATOM 573 CA ALA A 37 0.861 3.344 5.675 1.00 41.24 C ATOM 574 C ALA A 37 1.201 2.584 4.393 1.00 71.30 C ATOM 575 O ALA A 37 0.773 2.968 3.304 1.00 12.44 O ATOM 576 CB ALA A 37 2.066 4.136 6.160 1.00 22.45 C ATOM 0 H ALA A 37 0.957 2.459 7.572 1.00 34.43 H new ATOM 0 HA ALA A 37 0.052 4.038 5.446 1.00 41.24 H new ATOM 0 HB1 ALA A 37 2.402 4.807 5.370 1.00 22.45 H new ATOM 0 HB2 ALA A 37 1.789 4.719 7.038 1.00 22.45 H new ATOM 0 HB3 ALA A 37 2.872 3.450 6.420 1.00 22.45 H new ATOM 582 N TYR A 38 1.960 1.498 4.524 1.00 4.45 N ATOM 583 CA TYR A 38 2.333 0.682 3.371 1.00 51.13 C ATOM 584 C TYR A 38 1.098 0.043 2.742 1.00 15.23 C ATOM 585 O TYR A 38 1.004 -0.077 1.520 1.00 52.01 O ATOM 586 CB TYR A 38 3.332 -0.404 3.765 1.00 63.42 C ATOM 587 CG TYR A 38 4.674 0.127 4.220 1.00 13.35 C ATOM 588 CD1 TYR A 38 5.342 1.104 3.494 1.00 1.04 C ATOM 589 CD2 TYR A 38 5.272 -0.353 5.378 1.00 14.52 C ATOM 590 CE1 TYR A 38 6.566 1.589 3.910 1.00 52.15 C ATOM 591 CE2 TYR A 38 6.495 0.127 5.799 1.00 61.31 C ATOM 592 CZ TYR A 38 7.137 1.096 5.062 1.00 33.24 C ATOM 593 OH TYR A 38 8.357 1.572 5.482 1.00 51.33 O ATOM 0 H TYR A 38 2.328 1.163 5.415 1.00 4.45 H new ATOM 0 HA TYR A 38 2.805 1.339 2.641 1.00 51.13 H new ATOM 0 HB2 TYR A 38 2.901 -1.006 4.565 1.00 63.42 H new ATOM 0 HB3 TYR A 38 3.485 -1.068 2.914 1.00 63.42 H new ATOM 0 HD1 TYR A 38 4.897 1.491 2.589 1.00 1.04 H new ATOM 0 HD2 TYR A 38 4.772 -1.114 5.958 1.00 14.52 H new ATOM 0 HE1 TYR A 38 7.072 2.350 3.335 1.00 52.15 H new ATOM 0 HE2 TYR A 38 6.946 -0.256 6.702 1.00 61.31 H new ATOM 0 HH TYR A 38 8.616 1.120 6.312 1.00 51.33 H new ATOM 603 N TYR A 39 0.156 -0.367 3.585 1.00 72.53 N ATOM 604 CA TYR A 39 -1.105 -0.925 3.108 1.00 4.13 C ATOM 605 C TYR A 39 -1.862 0.109 2.274 1.00 41.11 C ATOM 606 O TYR A 39 -2.371 -0.202 1.196 1.00 44.31 O ATOM 607 CB TYR A 39 -1.962 -1.392 4.291 1.00 72.40 C ATOM 608 CG TYR A 39 -3.323 -1.921 3.896 1.00 64.34 C ATOM 609 CD1 TYR A 39 -3.454 -3.133 3.229 1.00 34.03 C ATOM 610 CD2 TYR A 39 -4.478 -1.212 4.199 1.00 24.10 C ATOM 611 CE1 TYR A 39 -4.697 -3.621 2.873 1.00 72.55 C ATOM 612 CE2 TYR A 39 -5.724 -1.693 3.846 1.00 40.41 C ATOM 613 CZ TYR A 39 -5.829 -2.897 3.182 1.00 0.33 C ATOM 614 OH TYR A 39 -7.073 -3.380 2.832 1.00 31.13 O ATOM 0 H TYR A 39 0.241 -0.324 4.601 1.00 72.53 H new ATOM 0 HA TYR A 39 -0.888 -1.787 2.476 1.00 4.13 H new ATOM 0 HB2 TYR A 39 -1.424 -2.171 4.831 1.00 72.40 H new ATOM 0 HB3 TYR A 39 -2.094 -0.559 4.982 1.00 72.40 H new ATOM 0 HD1 TYR A 39 -2.570 -3.703 2.985 1.00 34.03 H new ATOM 0 HD2 TYR A 39 -4.401 -0.269 4.719 1.00 24.10 H new ATOM 0 HE1 TYR A 39 -4.781 -4.565 2.355 1.00 72.55 H new ATOM 0 HE2 TYR A 39 -6.612 -1.128 4.089 1.00 40.41 H new ATOM 0 HH TYR A 39 -7.763 -2.749 3.124 1.00 31.13 H new ATOM 624 N LEU A 40 -1.911 1.341 2.775 1.00 14.30 N ATOM 625 CA LEU A 40 -2.588 2.429 2.078 1.00 12.03 C ATOM 626 C LEU A 40 -1.901 2.736 0.753 1.00 62.01 C ATOM 627 O LEU A 40 -2.564 3.025 -0.245 1.00 11.10 O ATOM 628 CB LEU A 40 -2.628 3.686 2.949 1.00 22.30 C ATOM 629 CG LEU A 40 -3.380 3.533 4.269 1.00 34.54 C ATOM 630 CD1 LEU A 40 -3.409 4.854 5.019 1.00 3.34 C ATOM 631 CD2 LEU A 40 -4.792 3.021 4.021 1.00 11.23 C ATOM 0 H LEU A 40 -1.488 1.610 3.663 1.00 14.30 H new ATOM 0 HA LEU A 40 -3.610 2.110 1.874 1.00 12.03 H new ATOM 0 HB2 LEU A 40 -1.605 3.993 3.165 1.00 22.30 H new ATOM 0 HB3 LEU A 40 -3.089 4.492 2.377 1.00 22.30 H new ATOM 0 HG LEU A 40 -2.856 2.802 4.885 1.00 34.54 H new ATOM 0 HD11 LEU A 40 -3.949 4.728 5.958 1.00 3.34 H new ATOM 0 HD12 LEU A 40 -2.389 5.176 5.228 1.00 3.34 H new ATOM 0 HD13 LEU A 40 -3.910 5.607 4.411 1.00 3.34 H new ATOM 0 HD21 LEU A 40 -5.314 2.918 4.972 1.00 11.23 H new ATOM 0 HD22 LEU A 40 -5.329 3.727 3.387 1.00 11.23 H new ATOM 0 HD23 LEU A 40 -4.746 2.051 3.525 1.00 11.23 H new ATOM 643 N MET A 41 -0.572 2.669 0.751 1.00 64.00 N ATOM 644 CA MET A 41 0.202 2.839 -0.473 1.00 10.31 C ATOM 645 C MET A 41 -0.272 1.860 -1.537 1.00 64.53 C ATOM 646 O MET A 41 -0.609 2.256 -2.656 1.00 44.41 O ATOM 647 CB MET A 41 1.692 2.618 -0.206 1.00 53.34 C ATOM 648 CG MET A 41 2.382 3.766 0.500 1.00 4.03 C ATOM 649 SD MET A 41 4.125 3.432 0.816 1.00 30.34 S ATOM 650 CE MET A 41 4.671 5.026 1.423 1.00 72.10 C ATOM 0 H MET A 41 -0.010 2.498 1.585 1.00 64.00 H new ATOM 0 HA MET A 41 0.054 3.859 -0.828 1.00 10.31 H new ATOM 0 HB2 MET A 41 1.810 1.716 0.394 1.00 53.34 H new ATOM 0 HB3 MET A 41 2.195 2.438 -1.156 1.00 53.34 H new ATOM 0 HG2 MET A 41 2.292 4.668 -0.105 1.00 4.03 H new ATOM 0 HG3 MET A 41 1.876 3.964 1.445 1.00 4.03 H new ATOM 0 HE1 MET A 41 5.729 5.158 1.198 1.00 72.10 H new ATOM 0 HE2 MET A 41 4.096 5.816 0.939 1.00 72.10 H new ATOM 0 HE3 MET A 41 4.520 5.076 2.501 1.00 72.10 H new ATOM 660 N GLY A 42 -0.329 0.587 -1.165 1.00 52.14 N ATOM 661 CA GLY A 42 -0.755 -0.449 -2.082 1.00 72.03 C ATOM 662 C GLY A 42 -2.154 -0.217 -2.625 1.00 33.44 C ATOM 663 O GLY A 42 -2.458 -0.603 -3.751 1.00 51.50 O ATOM 0 H GLY A 42 -0.084 0.253 -0.233 1.00 52.14 H new ATOM 0 HA2 GLY A 42 -0.052 -0.503 -2.913 1.00 72.03 H new ATOM 0 HA3 GLY A 42 -0.723 -1.413 -1.574 1.00 72.03 H new ATOM 667 N ASN A 43 -3.007 0.401 -1.818 1.00 41.40 N ATOM 668 CA ASN A 43 -4.364 0.728 -2.244 1.00 45.54 C ATOM 669 C ASN A 43 -4.340 1.827 -3.303 1.00 42.43 C ATOM 670 O ASN A 43 -5.064 1.768 -4.298 1.00 60.45 O ATOM 671 CB ASN A 43 -5.215 1.185 -1.053 1.00 41.01 C ATOM 672 CG ASN A 43 -5.437 0.089 -0.027 1.00 53.22 C ATOM 673 OD1 ASN A 43 -5.487 -1.093 -0.363 1.00 50.24 O ATOM 674 ND2 ASN A 43 -5.576 0.474 1.233 1.00 13.02 N ATOM 0 H ASN A 43 -2.784 0.686 -0.864 1.00 41.40 H new ATOM 0 HA ASN A 43 -4.807 -0.173 -2.669 1.00 45.54 H new ATOM 0 HB2 ASN A 43 -4.729 2.033 -0.571 1.00 41.01 H new ATOM 0 HB3 ASN A 43 -6.181 1.535 -1.417 1.00 41.01 H new ATOM 0 HD21 ASN A 43 -5.731 -0.220 1.964 1.00 13.02 H new ATOM 0 HD22 ASN A 43 -5.528 1.464 1.472 1.00 13.02 H new ATOM 681 N ALA A 44 -3.492 2.824 -3.080 1.00 43.30 N ATOM 682 CA ALA A 44 -3.369 3.949 -3.997 1.00 21.43 C ATOM 683 C ALA A 44 -2.781 3.499 -5.327 1.00 73.35 C ATOM 684 O ALA A 44 -3.295 3.833 -6.396 1.00 24.13 O ATOM 685 CB ALA A 44 -2.515 5.046 -3.375 1.00 21.13 C ATOM 0 H ALA A 44 -2.877 2.875 -2.268 1.00 43.30 H new ATOM 0 HA ALA A 44 -4.365 4.350 -4.187 1.00 21.43 H new ATOM 0 HB1 ALA A 44 -2.431 5.881 -4.071 1.00 21.13 H new ATOM 0 HB2 ALA A 44 -2.980 5.389 -2.451 1.00 21.13 H new ATOM 0 HB3 ALA A 44 -1.521 4.654 -3.157 1.00 21.13 H new ATOM 691 N TYR A 45 -1.713 2.715 -5.253 1.00 2.22 N ATOM 692 CA TYR A 45 -1.069 2.193 -6.451 1.00 62.03 C ATOM 693 C TYR A 45 -1.998 1.250 -7.208 1.00 32.05 C ATOM 694 O TYR A 45 -1.893 1.123 -8.426 1.00 74.34 O ATOM 695 CB TYR A 45 0.243 1.479 -6.113 1.00 43.31 C ATOM 696 CG TYR A 45 1.371 2.415 -5.744 1.00 51.20 C ATOM 697 CD1 TYR A 45 2.049 3.134 -6.719 1.00 60.03 C ATOM 698 CD2 TYR A 45 1.761 2.575 -4.424 1.00 1.54 C ATOM 699 CE1 TYR A 45 3.084 3.985 -6.384 1.00 63.42 C ATOM 700 CE2 TYR A 45 2.795 3.423 -4.081 1.00 72.40 C ATOM 701 CZ TYR A 45 3.453 4.125 -5.064 1.00 73.44 C ATOM 702 OH TYR A 45 4.486 4.970 -4.723 1.00 54.44 O ATOM 0 H TYR A 45 -1.275 2.427 -4.378 1.00 2.22 H new ATOM 0 HA TYR A 45 -0.841 3.045 -7.092 1.00 62.03 H new ATOM 0 HB2 TYR A 45 0.069 0.792 -5.285 1.00 43.31 H new ATOM 0 HB3 TYR A 45 0.549 0.877 -6.969 1.00 43.31 H new ATOM 0 HD1 TYR A 45 1.763 3.026 -7.755 1.00 60.03 H new ATOM 0 HD2 TYR A 45 1.247 2.026 -3.649 1.00 1.54 H new ATOM 0 HE1 TYR A 45 3.602 4.538 -7.153 1.00 63.42 H new ATOM 0 HE2 TYR A 45 3.086 3.535 -3.047 1.00 72.40 H new ATOM 0 HH TYR A 45 4.616 4.952 -3.752 1.00 54.44 H new ATOM 712 N ARG A 46 -2.916 0.598 -6.494 1.00 73.52 N ATOM 713 CA ARG A 46 -3.869 -0.296 -7.139 1.00 32.34 C ATOM 714 C ARG A 46 -4.862 0.507 -7.970 1.00 14.04 C ATOM 715 O ARG A 46 -5.280 0.073 -9.044 1.00 43.10 O ATOM 716 CB ARG A 46 -4.624 -1.157 -6.119 1.00 70.42 C ATOM 717 CG ARG A 46 -5.358 -2.322 -6.767 1.00 72.20 C ATOM 718 CD ARG A 46 -6.155 -3.145 -5.764 1.00 40.14 C ATOM 719 NE ARG A 46 -7.415 -2.502 -5.386 1.00 74.12 N ATOM 720 CZ ARG A 46 -8.582 -2.729 -5.993 1.00 71.20 C ATOM 721 NH1 ARG A 46 -8.652 -3.575 -7.013 1.00 3.32 N ATOM 722 NH2 ARG A 46 -9.675 -2.107 -5.572 1.00 1.31 N ATOM 0 H ARG A 46 -3.017 0.672 -5.482 1.00 73.52 H new ATOM 0 HA ARG A 46 -3.303 -0.964 -7.788 1.00 32.34 H new ATOM 0 HB2 ARG A 46 -3.920 -1.541 -5.381 1.00 70.42 H new ATOM 0 HB3 ARG A 46 -5.340 -0.534 -5.582 1.00 70.42 H new ATOM 0 HG2 ARG A 46 -6.031 -1.940 -7.534 1.00 72.20 H new ATOM 0 HG3 ARG A 46 -4.636 -2.967 -7.268 1.00 72.20 H new ATOM 0 HD2 ARG A 46 -6.365 -4.126 -6.189 1.00 40.14 H new ATOM 0 HD3 ARG A 46 -5.551 -3.307 -4.871 1.00 40.14 H new ATOM 0 HE ARG A 46 -7.400 -1.839 -4.611 1.00 74.12 H new ATOM 0 HH11 ARG A 46 -7.812 -4.055 -7.336 1.00 3.32 H new ATOM 0 HH12 ARG A 46 -9.546 -3.745 -7.474 1.00 3.32 H new ATOM 0 HH21 ARG A 46 -9.622 -1.458 -4.787 1.00 1.31 H new ATOM 0 HH22 ARG A 46 -10.569 -2.278 -6.033 1.00 1.31 H new ATOM 736 N LYS A 47 -5.228 1.685 -7.472 1.00 22.01 N ATOM 737 CA LYS A 47 -6.118 2.581 -8.204 1.00 2.32 C ATOM 738 C LYS A 47 -5.422 3.134 -9.441 1.00 71.34 C ATOM 739 O LYS A 47 -6.072 3.493 -10.420 1.00 11.23 O ATOM 740 CB LYS A 47 -6.599 3.725 -7.310 1.00 74.54 C ATOM 741 CG LYS A 47 -7.680 3.312 -6.326 1.00 5.21 C ATOM 742 CD LYS A 47 -8.152 4.490 -5.492 1.00 62.12 C ATOM 743 CE LYS A 47 -9.407 4.155 -4.697 1.00 50.13 C ATOM 744 NZ LYS A 47 -9.208 3.001 -3.778 1.00 44.32 N ATOM 0 H LYS A 47 -4.923 2.041 -6.566 1.00 22.01 H new ATOM 0 HA LYS A 47 -6.988 2.006 -8.521 1.00 2.32 H new ATOM 0 HB2 LYS A 47 -5.749 4.125 -6.757 1.00 74.54 H new ATOM 0 HB3 LYS A 47 -6.979 4.531 -7.938 1.00 74.54 H new ATOM 0 HG2 LYS A 47 -8.525 2.887 -6.869 1.00 5.21 H new ATOM 0 HG3 LYS A 47 -7.297 2.530 -5.670 1.00 5.21 H new ATOM 0 HD2 LYS A 47 -7.359 4.792 -4.808 1.00 62.12 H new ATOM 0 HD3 LYS A 47 -8.351 5.340 -6.144 1.00 62.12 H new ATOM 0 HE2 LYS A 47 -9.711 5.028 -4.119 1.00 50.13 H new ATOM 0 HE3 LYS A 47 -10.221 3.930 -5.386 1.00 50.13 H new ATOM 0 HZ1 LYS A 47 -10.062 2.866 -3.200 1.00 44.32 H new ATOM 0 HZ2 LYS A 47 -9.028 2.141 -4.334 1.00 44.32 H new ATOM 0 HZ3 LYS A 47 -8.395 3.188 -3.157 1.00 44.32 H new ATOM 758 N LEU A 48 -4.100 3.212 -9.385 1.00 12.34 N ATOM 759 CA LEU A 48 -3.311 3.587 -10.551 1.00 3.14 C ATOM 760 C LEU A 48 -3.221 2.407 -11.513 1.00 61.32 C ATOM 761 O LEU A 48 -3.478 2.534 -12.712 1.00 62.21 O ATOM 762 CB LEU A 48 -1.903 4.021 -10.131 1.00 74.12 C ATOM 763 CG LEU A 48 -1.839 5.223 -9.189 1.00 34.55 C ATOM 764 CD1 LEU A 48 -0.398 5.510 -8.799 1.00 71.31 C ATOM 765 CD2 LEU A 48 -2.473 6.447 -9.837 1.00 71.12 C ATOM 0 H LEU A 48 -3.552 3.021 -8.546 1.00 12.34 H new ATOM 0 HA LEU A 48 -3.800 4.425 -11.048 1.00 3.14 H new ATOM 0 HB2 LEU A 48 -1.410 3.177 -9.649 1.00 74.12 H new ATOM 0 HB3 LEU A 48 -1.330 4.254 -11.029 1.00 74.12 H new ATOM 0 HG LEU A 48 -2.402 4.986 -8.286 1.00 34.55 H new ATOM 0 HD11 LEU A 48 -0.367 6.368 -8.128 1.00 71.31 H new ATOM 0 HD12 LEU A 48 0.023 4.640 -8.295 1.00 71.31 H new ATOM 0 HD13 LEU A 48 0.185 5.728 -9.694 1.00 71.31 H new ATOM 0 HD21 LEU A 48 -2.417 7.292 -9.151 1.00 71.12 H new ATOM 0 HD22 LEU A 48 -1.939 6.690 -10.756 1.00 71.12 H new ATOM 0 HD23 LEU A 48 -3.517 6.236 -10.069 1.00 71.12 H new ATOM 777 N GLY A 49 -2.875 1.253 -10.967 1.00 30.31 N ATOM 778 CA GLY A 49 -2.708 0.064 -11.772 1.00 52.54 C ATOM 779 C GLY A 49 -1.296 -0.474 -11.695 1.00 64.45 C ATOM 780 O GLY A 49 -0.924 -1.374 -12.445 1.00 71.12 O ATOM 0 H GLY A 49 -2.705 1.119 -9.970 1.00 30.31 H new ATOM 0 HA2 GLY A 49 -3.407 -0.702 -11.438 1.00 52.54 H new ATOM 0 HA3 GLY A 49 -2.955 0.290 -12.809 1.00 52.54 H new ATOM 784 N ASP A 50 -0.507 0.080 -10.782 1.00 3.01 N ATOM 785 CA ASP A 50 0.870 -0.355 -10.598 1.00 12.50 C ATOM 786 C ASP A 50 0.908 -1.509 -9.612 1.00 24.44 C ATOM 787 O ASP A 50 0.745 -1.312 -8.408 1.00 32.33 O ATOM 788 CB ASP A 50 1.743 0.793 -10.085 1.00 73.42 C ATOM 789 CG ASP A 50 3.224 0.493 -10.217 1.00 12.31 C ATOM 790 OD1 ASP A 50 3.689 -0.534 -9.674 1.00 33.43 O ATOM 791 OD2 ASP A 50 3.924 1.272 -10.897 1.00 15.41 O ATOM 0 H ASP A 50 -0.799 0.832 -10.158 1.00 3.01 H new ATOM 0 HA ASP A 50 1.264 -0.679 -11.561 1.00 12.50 H new ATOM 0 HB2 ASP A 50 1.508 1.701 -10.640 1.00 73.42 H new ATOM 0 HB3 ASP A 50 1.506 0.988 -9.039 1.00 73.42 H new ATOM 796 N TRP A 51 1.108 -2.709 -10.126 1.00 70.42 N ATOM 797 CA TRP A 51 1.056 -3.901 -9.297 1.00 10.33 C ATOM 798 C TRP A 51 2.378 -4.148 -8.585 1.00 40.01 C ATOM 799 O TRP A 51 2.389 -4.632 -7.455 1.00 0.33 O ATOM 800 CB TRP A 51 0.676 -5.119 -10.137 1.00 24.52 C ATOM 801 CG TRP A 51 -0.645 -4.968 -10.825 1.00 34.45 C ATOM 802 CD1 TRP A 51 -0.861 -4.894 -12.166 1.00 11.21 C ATOM 803 CD2 TRP A 51 -1.929 -4.854 -10.204 1.00 12.32 C ATOM 804 NE1 TRP A 51 -2.203 -4.750 -12.420 1.00 54.23 N ATOM 805 CE2 TRP A 51 -2.879 -4.719 -11.231 1.00 34.12 C ATOM 806 CE3 TRP A 51 -2.366 -4.853 -8.877 1.00 13.32 C ATOM 807 CZ2 TRP A 51 -4.241 -4.589 -10.973 1.00 11.31 C ATOM 808 CZ3 TRP A 51 -3.715 -4.723 -8.622 1.00 23.40 C ATOM 809 CH2 TRP A 51 -4.639 -4.590 -9.664 1.00 4.51 C ATOM 0 H TRP A 51 1.307 -2.885 -11.111 1.00 70.42 H new ATOM 0 HA TRP A 51 0.292 -3.739 -8.537 1.00 10.33 H new ATOM 0 HB2 TRP A 51 1.450 -5.294 -10.884 1.00 24.52 H new ATOM 0 HB3 TRP A 51 0.647 -6.000 -9.496 1.00 24.52 H new ATOM 0 HD1 TRP A 51 -0.090 -4.942 -12.921 1.00 11.21 H new ATOM 0 HE1 TRP A 51 -2.627 -4.678 -13.345 1.00 54.23 H new ATOM 0 HE3 TRP A 51 -1.660 -4.952 -8.066 1.00 13.32 H new ATOM 0 HZ2 TRP A 51 -4.956 -4.491 -11.776 1.00 11.31 H new ATOM 0 HZ3 TRP A 51 -4.064 -4.724 -7.600 1.00 23.40 H new ATOM 0 HH2 TRP A 51 -5.688 -4.486 -9.430 1.00 4.51 H new ATOM 820 N GLN A 52 3.488 -3.799 -9.229 1.00 12.44 N ATOM 821 CA GLN A 52 4.798 -4.051 -8.643 1.00 2.30 C ATOM 822 C GLN A 52 4.966 -3.269 -7.354 1.00 23.32 C ATOM 823 O GLN A 52 5.238 -3.847 -6.302 1.00 32.43 O ATOM 824 CB GLN A 52 5.939 -3.691 -9.599 1.00 2.14 C ATOM 825 CG GLN A 52 5.958 -4.504 -10.880 1.00 75.13 C ATOM 826 CD GLN A 52 5.722 -5.985 -10.654 1.00 31.11 C ATOM 827 OE1 GLN A 52 4.585 -6.454 -10.692 1.00 2.23 O ATOM 828 NE2 GLN A 52 6.787 -6.733 -10.420 1.00 61.44 N ATOM 0 H GLN A 52 3.507 -3.347 -10.143 1.00 12.44 H new ATOM 0 HA GLN A 52 4.848 -5.120 -8.438 1.00 2.30 H new ATOM 0 HB2 GLN A 52 5.864 -2.634 -9.854 1.00 2.14 H new ATOM 0 HB3 GLN A 52 6.888 -3.828 -9.081 1.00 2.14 H new ATOM 0 HG2 GLN A 52 5.194 -4.121 -11.557 1.00 75.13 H new ATOM 0 HG3 GLN A 52 6.920 -4.368 -11.374 1.00 75.13 H new ATOM 0 HE21 GLN A 52 7.714 -6.308 -10.396 1.00 61.44 H new ATOM 0 HE22 GLN A 52 6.682 -7.735 -10.263 1.00 61.44 H new ATOM 837 N LYS A 53 4.778 -1.960 -7.427 1.00 23.02 N ATOM 838 CA LYS A 53 4.974 -1.114 -6.263 1.00 30.54 C ATOM 839 C LYS A 53 3.972 -1.472 -5.175 1.00 42.32 C ATOM 840 O LYS A 53 4.313 -1.484 -3.996 1.00 13.11 O ATOM 841 CB LYS A 53 4.881 0.363 -6.641 1.00 10.04 C ATOM 842 CG LYS A 53 5.905 0.774 -7.689 1.00 61.35 C ATOM 843 CD LYS A 53 6.041 2.284 -7.798 1.00 33.31 C ATOM 844 CE LYS A 53 6.603 2.881 -6.520 1.00 63.43 C ATOM 845 NZ LYS A 53 6.805 4.348 -6.631 1.00 74.13 N ATOM 0 H LYS A 53 4.493 -1.465 -8.272 1.00 23.02 H new ATOM 0 HA LYS A 53 5.976 -1.289 -5.871 1.00 30.54 H new ATOM 0 HB2 LYS A 53 3.880 0.574 -7.017 1.00 10.04 H new ATOM 0 HB3 LYS A 53 5.020 0.971 -5.747 1.00 10.04 H new ATOM 0 HG2 LYS A 53 6.873 0.341 -7.438 1.00 61.35 H new ATOM 0 HG3 LYS A 53 5.615 0.366 -8.657 1.00 61.35 H new ATOM 0 HD2 LYS A 53 6.693 2.533 -8.635 1.00 33.31 H new ATOM 0 HD3 LYS A 53 5.067 2.725 -8.010 1.00 33.31 H new ATOM 0 HE2 LYS A 53 5.925 2.670 -5.693 1.00 63.43 H new ATOM 0 HE3 LYS A 53 7.553 2.401 -6.283 1.00 63.43 H new ATOM 0 HZ1 LYS A 53 7.767 4.591 -6.319 1.00 74.13 H new ATOM 0 HZ2 LYS A 53 6.678 4.642 -7.620 1.00 74.13 H new ATOM 0 HZ3 LYS A 53 6.112 4.840 -6.032 1.00 74.13 H new ATOM 859 N ALA A 54 2.755 -1.818 -5.582 1.00 33.45 N ATOM 860 CA ALA A 54 1.738 -2.271 -4.641 1.00 50.41 C ATOM 861 C ALA A 54 2.219 -3.512 -3.895 1.00 22.03 C ATOM 862 O ALA A 54 2.103 -3.597 -2.672 1.00 44.15 O ATOM 863 CB ALA A 54 0.429 -2.556 -5.364 1.00 13.34 C ATOM 0 H ALA A 54 2.450 -1.793 -6.555 1.00 33.45 H new ATOM 0 HA ALA A 54 1.562 -1.478 -3.915 1.00 50.41 H new ATOM 0 HB1 ALA A 54 -0.318 -2.893 -4.645 1.00 13.34 H new ATOM 0 HB2 ALA A 54 0.078 -1.647 -5.853 1.00 13.34 H new ATOM 0 HB3 ALA A 54 0.588 -3.332 -6.112 1.00 13.34 H new ATOM 869 N LEU A 55 2.779 -4.466 -4.638 1.00 64.13 N ATOM 870 CA LEU A 55 3.335 -5.681 -4.050 1.00 22.42 C ATOM 871 C LEU A 55 4.463 -5.351 -3.084 1.00 10.32 C ATOM 872 O LEU A 55 4.531 -5.903 -1.985 1.00 75.43 O ATOM 873 CB LEU A 55 3.852 -6.619 -5.144 1.00 22.11 C ATOM 874 CG LEU A 55 2.776 -7.300 -5.988 1.00 71.53 C ATOM 875 CD1 LEU A 55 3.408 -8.082 -7.132 1.00 64.00 C ATOM 876 CD2 LEU A 55 1.926 -8.216 -5.122 1.00 32.52 C ATOM 0 H LEU A 55 2.859 -4.419 -5.654 1.00 64.13 H new ATOM 0 HA LEU A 55 2.537 -6.180 -3.499 1.00 22.42 H new ATOM 0 HB2 LEU A 55 4.504 -6.051 -5.807 1.00 22.11 H new ATOM 0 HB3 LEU A 55 4.465 -7.390 -4.678 1.00 22.11 H new ATOM 0 HG LEU A 55 2.133 -6.530 -6.414 1.00 71.53 H new ATOM 0 HD11 LEU A 55 2.626 -8.560 -7.722 1.00 64.00 H new ATOM 0 HD12 LEU A 55 3.977 -7.403 -7.767 1.00 64.00 H new ATOM 0 HD13 LEU A 55 4.074 -8.844 -6.727 1.00 64.00 H new ATOM 0 HD21 LEU A 55 1.164 -8.694 -5.737 1.00 32.52 H new ATOM 0 HD22 LEU A 55 2.559 -8.980 -4.670 1.00 32.52 H new ATOM 0 HD23 LEU A 55 1.445 -7.632 -4.337 1.00 32.52 H new ATOM 888 N ASN A 56 5.339 -4.442 -3.496 1.00 25.40 N ATOM 889 CA ASN A 56 6.452 -4.011 -2.660 1.00 40.22 C ATOM 890 C ASN A 56 5.934 -3.388 -1.365 1.00 31.30 C ATOM 891 O ASN A 56 6.460 -3.650 -0.283 1.00 24.51 O ATOM 892 CB ASN A 56 7.339 -3.004 -3.407 1.00 42.43 C ATOM 893 CG ASN A 56 8.251 -3.648 -4.442 1.00 3.03 C ATOM 894 OD1 ASN A 56 9.373 -4.046 -4.133 1.00 52.04 O ATOM 895 ND2 ASN A 56 7.786 -3.741 -5.681 1.00 44.24 N ATOM 0 H ASN A 56 5.299 -3.988 -4.408 1.00 25.40 H new ATOM 0 HA ASN A 56 7.052 -4.888 -2.417 1.00 40.22 H new ATOM 0 HB2 ASN A 56 6.704 -2.269 -3.901 1.00 42.43 H new ATOM 0 HB3 ASN A 56 7.949 -2.463 -2.684 1.00 42.43 H new ATOM 0 HD21 ASN A 56 8.364 -4.153 -6.413 1.00 44.24 H new ATOM 0 HD22 ASN A 56 6.850 -3.400 -5.901 1.00 44.24 H new ATOM 902 N ASN A 57 4.888 -2.579 -1.483 1.00 2.30 N ATOM 903 CA ASN A 57 4.288 -1.925 -0.324 1.00 35.02 C ATOM 904 C ASN A 57 3.635 -2.944 0.602 1.00 4.05 C ATOM 905 O ASN A 57 3.873 -2.933 1.809 1.00 12.31 O ATOM 906 CB ASN A 57 3.246 -0.893 -0.756 1.00 13.05 C ATOM 907 CG ASN A 57 3.822 0.214 -1.620 1.00 34.14 C ATOM 908 OD1 ASN A 57 3.125 0.768 -2.465 1.00 31.43 O ATOM 909 ND2 ASN A 57 5.090 0.545 -1.419 1.00 21.42 N ATOM 0 H ASN A 57 4.436 -2.359 -2.371 1.00 2.30 H new ATOM 0 HA ASN A 57 5.090 -1.419 0.214 1.00 35.02 H new ATOM 0 HB2 ASN A 57 2.451 -1.397 -1.305 1.00 13.05 H new ATOM 0 HB3 ASN A 57 2.791 -0.453 0.131 1.00 13.05 H new ATOM 0 HD21 ASN A 57 5.519 1.284 -1.977 1.00 21.42 H new ATOM 0 HD22 ASN A 57 5.637 0.061 -0.707 1.00 21.42 H new ATOM 916 N TYR A 58 2.817 -3.830 0.031 1.00 31.41 N ATOM 917 CA TYR A 58 2.134 -4.861 0.813 1.00 13.31 C ATOM 918 C TYR A 58 3.138 -5.696 1.596 1.00 20.22 C ATOM 919 O TYR A 58 2.960 -5.939 2.787 1.00 74.34 O ATOM 920 CB TYR A 58 1.304 -5.792 -0.079 1.00 32.21 C ATOM 921 CG TYR A 58 0.144 -5.128 -0.791 1.00 72.04 C ATOM 922 CD1 TYR A 58 -0.563 -4.082 -0.206 1.00 74.00 C ATOM 923 CD2 TYR A 58 -0.256 -5.566 -2.047 1.00 13.21 C ATOM 924 CE1 TYR A 58 -1.631 -3.493 -0.859 1.00 32.30 C ATOM 925 CE2 TYR A 58 -1.319 -4.982 -2.704 1.00 54.55 C ATOM 926 CZ TYR A 58 -2.003 -3.947 -2.109 1.00 24.41 C ATOM 927 OH TYR A 58 -3.068 -3.370 -2.765 1.00 63.22 O ATOM 0 H TYR A 58 2.612 -3.854 -0.968 1.00 31.41 H new ATOM 0 HA TYR A 58 1.465 -4.345 1.502 1.00 13.31 H new ATOM 0 HB2 TYR A 58 1.962 -6.238 -0.825 1.00 32.21 H new ATOM 0 HB3 TYR A 58 0.917 -6.607 0.533 1.00 32.21 H new ATOM 0 HD1 TYR A 58 -0.274 -3.725 0.771 1.00 74.00 H new ATOM 0 HD2 TYR A 58 0.276 -6.380 -2.518 1.00 13.21 H new ATOM 0 HE1 TYR A 58 -2.171 -2.682 -0.393 1.00 32.30 H new ATOM 0 HE2 TYR A 58 -1.613 -5.336 -3.681 1.00 54.55 H new ATOM 0 HH TYR A 58 -3.194 -3.808 -3.633 1.00 63.22 H new ATOM 937 N GLN A 59 4.199 -6.118 0.919 1.00 44.33 N ATOM 938 CA GLN A 59 5.227 -6.946 1.534 1.00 12.33 C ATOM 939 C GLN A 59 5.887 -6.193 2.693 1.00 41.43 C ATOM 940 O GLN A 59 6.134 -6.768 3.754 1.00 5.23 O ATOM 941 CB GLN A 59 6.259 -7.352 0.473 1.00 32.52 C ATOM 942 CG GLN A 59 6.987 -8.663 0.757 1.00 50.11 C ATOM 943 CD GLN A 59 8.218 -8.502 1.628 1.00 32.01 C ATOM 944 OE1 GLN A 59 9.314 -8.251 1.126 1.00 1.10 O ATOM 945 NE2 GLN A 59 8.054 -8.658 2.929 1.00 42.04 N ATOM 0 H GLN A 59 4.370 -5.898 -0.062 1.00 44.33 H new ATOM 0 HA GLN A 59 4.775 -7.851 1.940 1.00 12.33 H new ATOM 0 HB2 GLN A 59 5.756 -7.433 -0.491 1.00 32.52 H new ATOM 0 HB3 GLN A 59 6.997 -6.555 0.381 1.00 32.52 H new ATOM 0 HG2 GLN A 59 6.297 -9.353 1.243 1.00 50.11 H new ATOM 0 HG3 GLN A 59 7.280 -9.118 -0.189 1.00 50.11 H new ATOM 0 HE21 GLN A 59 7.129 -8.865 3.305 1.00 42.04 H new ATOM 0 HE22 GLN A 59 8.852 -8.571 3.558 1.00 42.04 H new ATOM 954 N SER A 60 6.124 -4.898 2.493 1.00 43.25 N ATOM 955 CA SER A 60 6.724 -4.054 3.525 1.00 11.12 C ATOM 956 C SER A 60 5.825 -3.967 4.760 1.00 72.44 C ATOM 957 O SER A 60 6.311 -3.899 5.890 1.00 72.10 O ATOM 958 CB SER A 60 6.994 -2.652 2.971 1.00 54.32 C ATOM 959 OG SER A 60 7.892 -2.703 1.871 1.00 4.33 O ATOM 0 H SER A 60 5.909 -4.409 1.624 1.00 43.25 H new ATOM 0 HA SER A 60 7.669 -4.508 3.824 1.00 11.12 H new ATOM 0 HB2 SER A 60 6.056 -2.194 2.658 1.00 54.32 H new ATOM 0 HB3 SER A 60 7.411 -2.021 3.756 1.00 54.32 H new ATOM 0 HG SER A 60 7.396 -2.915 1.053 1.00 4.33 H new ATOM 965 N ALA A 61 4.516 -3.971 4.541 1.00 35.20 N ATOM 966 CA ALA A 61 3.567 -3.953 5.642 1.00 50.01 C ATOM 967 C ALA A 61 3.562 -5.292 6.367 1.00 35.53 C ATOM 968 O ALA A 61 3.556 -5.343 7.596 1.00 55.23 O ATOM 969 CB ALA A 61 2.173 -3.622 5.132 1.00 24.42 C ATOM 0 H ALA A 61 4.091 -3.986 3.614 1.00 35.20 H new ATOM 0 HA ALA A 61 3.873 -3.181 6.348 1.00 50.01 H new ATOM 0 HB1 ALA A 61 1.473 -3.612 5.967 1.00 24.42 H new ATOM 0 HB2 ALA A 61 2.183 -2.642 4.655 1.00 24.42 H new ATOM 0 HB3 ALA A 61 1.862 -4.375 4.407 1.00 24.42 H new ATOM 975 N ILE A 62 3.595 -6.371 5.592 1.00 11.40 N ATOM 976 CA ILE A 62 3.550 -7.725 6.136 1.00 41.34 C ATOM 977 C ILE A 62 4.752 -8.017 7.036 1.00 73.23 C ATOM 978 O ILE A 62 4.615 -8.658 8.079 1.00 61.13 O ATOM 979 CB ILE A 62 3.496 -8.777 5.004 1.00 65.05 C ATOM 980 CG1 ILE A 62 2.221 -8.600 4.174 1.00 73.21 C ATOM 981 CG2 ILE A 62 3.571 -10.189 5.571 1.00 13.34 C ATOM 982 CD1 ILE A 62 2.142 -9.525 2.980 1.00 30.22 C ATOM 0 H ILE A 62 3.653 -6.333 4.574 1.00 11.40 H new ATOM 0 HA ILE A 62 2.642 -7.790 6.736 1.00 41.34 H new ATOM 0 HB ILE A 62 4.359 -8.626 4.355 1.00 65.05 H new ATOM 0 HG12 ILE A 62 1.355 -8.771 4.813 1.00 73.21 H new ATOM 0 HG13 ILE A 62 2.163 -7.568 3.828 1.00 73.21 H new ATOM 0 HG21 ILE A 62 3.531 -10.911 4.756 1.00 13.34 H new ATOM 0 HG22 ILE A 62 4.505 -10.312 6.119 1.00 13.34 H new ATOM 0 HG23 ILE A 62 2.730 -10.356 6.245 1.00 13.34 H new ATOM 0 HD11 ILE A 62 1.213 -9.343 2.440 1.00 30.22 H new ATOM 0 HD12 ILE A 62 2.989 -9.339 2.319 1.00 30.22 H new ATOM 0 HD13 ILE A 62 2.168 -10.560 3.320 1.00 30.22 H new ATOM 994 N GLU A 63 5.927 -7.544 6.641 1.00 24.50 N ATOM 995 CA GLU A 63 7.142 -7.839 7.388 1.00 22.42 C ATOM 996 C GLU A 63 7.209 -7.042 8.688 1.00 74.32 C ATOM 997 O GLU A 63 7.874 -7.448 9.639 1.00 11.42 O ATOM 998 CB GLU A 63 8.383 -7.589 6.529 1.00 75.41 C ATOM 999 CG GLU A 63 8.535 -6.157 6.043 1.00 45.14 C ATOM 1000 CD GLU A 63 9.729 -5.989 5.129 1.00 61.22 C ATOM 1001 OE1 GLU A 63 10.852 -6.332 5.546 1.00 70.24 O ATOM 1002 OE2 GLU A 63 9.552 -5.517 3.988 1.00 51.51 O ATOM 0 H GLU A 63 6.064 -6.960 5.816 1.00 24.50 H new ATOM 0 HA GLU A 63 7.117 -8.896 7.653 1.00 22.42 H new ATOM 0 HB2 GLU A 63 9.268 -7.860 7.104 1.00 75.41 H new ATOM 0 HB3 GLU A 63 8.350 -8.251 5.664 1.00 75.41 H new ATOM 0 HG2 GLU A 63 7.630 -5.856 5.515 1.00 45.14 H new ATOM 0 HG3 GLU A 63 8.640 -5.493 6.901 1.00 45.14 H new ATOM 1009 N LEU A 64 6.514 -5.916 8.737 1.00 13.10 N ATOM 1010 CA LEU A 64 6.439 -5.137 9.962 1.00 31.22 C ATOM 1011 C LEU A 64 5.295 -5.645 10.832 1.00 71.44 C ATOM 1012 O LEU A 64 5.447 -5.831 12.040 1.00 44.22 O ATOM 1013 CB LEU A 64 6.250 -3.649 9.658 1.00 32.32 C ATOM 1014 CG LEU A 64 7.415 -2.978 8.928 1.00 15.43 C ATOM 1015 CD1 LEU A 64 7.139 -1.497 8.732 1.00 51.20 C ATOM 1016 CD2 LEU A 64 8.714 -3.182 9.696 1.00 25.32 C ATOM 0 H LEU A 64 5.998 -5.524 7.949 1.00 13.10 H new ATOM 0 HA LEU A 64 7.379 -5.255 10.500 1.00 31.22 H new ATOM 0 HB2 LEU A 64 5.349 -3.529 9.057 1.00 32.32 H new ATOM 0 HB3 LEU A 64 6.079 -3.122 10.597 1.00 32.32 H new ATOM 0 HG LEU A 64 7.519 -3.441 7.947 1.00 15.43 H new ATOM 0 HD11 LEU A 64 7.978 -1.036 8.211 1.00 51.20 H new ATOM 0 HD12 LEU A 64 6.232 -1.371 8.141 1.00 51.20 H new ATOM 0 HD13 LEU A 64 7.008 -1.020 9.703 1.00 51.20 H new ATOM 0 HD21 LEU A 64 9.532 -2.698 9.162 1.00 25.32 H new ATOM 0 HD22 LEU A 64 8.621 -2.746 10.690 1.00 25.32 H new ATOM 0 HD23 LEU A 64 8.920 -4.249 9.786 1.00 25.32 H new ATOM 1028 N ASN A 65 4.156 -5.879 10.202 1.00 41.10 N ATOM 1029 CA ASN A 65 2.982 -6.393 10.886 1.00 62.25 C ATOM 1030 C ASN A 65 2.360 -7.516 10.065 1.00 63.23 C ATOM 1031 O ASN A 65 1.720 -7.273 9.044 1.00 32.41 O ATOM 1032 CB ASN A 65 1.972 -5.265 11.126 1.00 1.22 C ATOM 1033 CG ASN A 65 0.653 -5.750 11.698 1.00 52.21 C ATOM 1034 OD1 ASN A 65 0.582 -6.791 12.356 1.00 21.15 O ATOM 1035 ND2 ASN A 65 -0.397 -4.982 11.466 1.00 70.44 N ATOM 0 H ASN A 65 4.019 -5.718 9.204 1.00 41.10 H new ATOM 0 HA ASN A 65 3.276 -6.794 11.856 1.00 62.25 H new ATOM 0 HB2 ASN A 65 2.409 -4.535 11.807 1.00 1.22 H new ATOM 0 HB3 ASN A 65 1.784 -4.749 10.184 1.00 1.22 H new ATOM 0 HD21 ASN A 65 -1.311 -5.242 11.837 1.00 70.44 H new ATOM 0 HD22 ASN A 65 -0.293 -4.129 10.916 1.00 70.44 H new ATOM 1042 N PRO A 66 2.555 -8.767 10.501 1.00 31.14 N ATOM 1043 CA PRO A 66 2.099 -9.947 9.758 1.00 14.14 C ATOM 1044 C PRO A 66 0.596 -10.172 9.867 1.00 52.04 C ATOM 1045 O PRO A 66 0.031 -11.022 9.175 1.00 54.41 O ATOM 1046 CB PRO A 66 2.861 -11.090 10.426 1.00 42.33 C ATOM 1047 CG PRO A 66 3.083 -10.630 11.825 1.00 14.32 C ATOM 1048 CD PRO A 66 3.239 -9.135 11.757 1.00 12.04 C ATOM 0 HA PRO A 66 2.285 -9.850 8.688 1.00 14.14 H new ATOM 0 HB2 PRO A 66 2.287 -12.017 10.400 1.00 42.33 H new ATOM 0 HB3 PRO A 66 3.806 -11.286 9.919 1.00 42.33 H new ATOM 0 HG2 PRO A 66 2.243 -10.905 12.463 1.00 14.32 H new ATOM 0 HG3 PRO A 66 3.972 -11.095 12.251 1.00 14.32 H new ATOM 0 HD2 PRO A 66 2.784 -8.646 12.618 1.00 12.04 H new ATOM 0 HD3 PRO A 66 4.289 -8.842 11.741 1.00 12.04 H new ATOM 1056 N ASP A 67 -0.047 -9.409 10.735 1.00 53.43 N ATOM 1057 CA ASP A 67 -1.480 -9.540 10.954 1.00 22.10 C ATOM 1058 C ASP A 67 -2.237 -8.480 10.152 1.00 73.15 C ATOM 1059 O ASP A 67 -3.464 -8.393 10.203 1.00 52.33 O ATOM 1060 CB ASP A 67 -1.786 -9.414 12.449 1.00 72.31 C ATOM 1061 CG ASP A 67 -3.228 -9.732 12.791 1.00 63.22 C ATOM 1062 OD1 ASP A 67 -3.678 -10.864 12.511 1.00 74.13 O ATOM 1063 OD2 ASP A 67 -3.914 -8.862 13.366 1.00 32.51 O ATOM 0 H ASP A 67 0.402 -8.689 11.302 1.00 53.43 H new ATOM 0 HA ASP A 67 -1.809 -10.521 10.612 1.00 22.10 H new ATOM 0 HB2 ASP A 67 -1.131 -10.084 13.005 1.00 72.31 H new ATOM 0 HB3 ASP A 67 -1.557 -8.400 12.776 1.00 72.31 H new ATOM 1068 N SER A 68 -1.492 -7.691 9.390 1.00 3.22 N ATOM 1069 CA SER A 68 -2.072 -6.611 8.608 1.00 51.01 C ATOM 1070 C SER A 68 -2.924 -7.159 7.464 1.00 11.31 C ATOM 1071 O SER A 68 -2.668 -8.252 6.948 1.00 73.10 O ATOM 1072 CB SER A 68 -0.964 -5.714 8.052 1.00 62.23 C ATOM 1073 OG SER A 68 -0.066 -6.455 7.242 1.00 33.12 O ATOM 0 H SER A 68 -0.480 -7.780 9.298 1.00 3.22 H new ATOM 0 HA SER A 68 -2.716 -6.024 9.262 1.00 51.01 H new ATOM 0 HB2 SER A 68 -1.405 -4.907 7.467 1.00 62.23 H new ATOM 0 HB3 SER A 68 -0.419 -5.251 8.875 1.00 62.23 H new ATOM 0 HG SER A 68 0.581 -6.921 7.812 1.00 33.12 H new ATOM 1079 N PRO A 69 -3.955 -6.404 7.047 1.00 11.22 N ATOM 1080 CA PRO A 69 -4.815 -6.782 5.921 1.00 3.34 C ATOM 1081 C PRO A 69 -4.047 -6.821 4.598 1.00 32.23 C ATOM 1082 O PRO A 69 -4.558 -7.296 3.580 1.00 20.43 O ATOM 1083 CB PRO A 69 -5.884 -5.681 5.890 1.00 14.12 C ATOM 1084 CG PRO A 69 -5.810 -5.023 7.224 1.00 65.32 C ATOM 1085 CD PRO A 69 -4.378 -5.131 7.655 1.00 74.54 C ATOM 0 HA PRO A 69 -5.228 -7.783 6.044 1.00 3.34 H new ATOM 0 HB2 PRO A 69 -5.691 -4.968 5.089 1.00 14.12 H new ATOM 0 HB3 PRO A 69 -6.875 -6.100 5.712 1.00 14.12 H new ATOM 0 HG2 PRO A 69 -6.122 -3.980 7.163 1.00 65.32 H new ATOM 0 HG3 PRO A 69 -6.471 -5.513 7.939 1.00 65.32 H new ATOM 0 HD2 PRO A 69 -3.782 -4.292 7.295 1.00 74.54 H new ATOM 0 HD3 PRO A 69 -4.282 -5.148 8.741 1.00 74.54 H new ATOM 1093 N ALA A 70 -2.809 -6.331 4.630 1.00 1.43 N ATOM 1094 CA ALA A 70 -1.946 -6.316 3.455 1.00 45.13 C ATOM 1095 C ALA A 70 -1.570 -7.734 3.046 1.00 30.24 C ATOM 1096 O ALA A 70 -1.189 -7.976 1.902 1.00 41.44 O ATOM 1097 CB ALA A 70 -0.696 -5.493 3.725 1.00 23.24 C ATOM 0 H ALA A 70 -2.380 -5.936 5.467 1.00 1.43 H new ATOM 0 HA ALA A 70 -2.494 -5.856 2.633 1.00 45.13 H new ATOM 0 HB1 ALA A 70 -0.062 -5.492 2.838 1.00 23.24 H new ATOM 0 HB2 ALA A 70 -0.980 -4.469 3.969 1.00 23.24 H new ATOM 0 HB3 ALA A 70 -0.148 -5.927 4.562 1.00 23.24 H new ATOM 1103 N LEU A 71 -1.696 -8.663 3.989 1.00 10.23 N ATOM 1104 CA LEU A 71 -1.437 -10.076 3.739 1.00 51.40 C ATOM 1105 C LEU A 71 -2.277 -10.557 2.566 1.00 73.52 C ATOM 1106 O LEU A 71 -1.785 -11.159 1.609 1.00 71.40 O ATOM 1107 CB LEU A 71 -1.823 -10.891 4.975 1.00 23.24 C ATOM 1108 CG LEU A 71 -1.014 -12.168 5.200 1.00 25.20 C ATOM 1109 CD1 LEU A 71 0.434 -11.839 5.528 1.00 71.11 C ATOM 1110 CD2 LEU A 71 -1.638 -13.004 6.307 1.00 63.12 C ATOM 0 H LEU A 71 -1.980 -8.457 4.947 1.00 10.23 H new ATOM 0 HA LEU A 71 -0.378 -10.205 3.515 1.00 51.40 H new ATOM 0 HB2 LEU A 71 -1.719 -10.256 5.855 1.00 23.24 H new ATOM 0 HB3 LEU A 71 -2.877 -11.158 4.898 1.00 23.24 H new ATOM 0 HG LEU A 71 -1.029 -12.750 4.278 1.00 25.20 H new ATOM 0 HD11 LEU A 71 0.991 -12.763 5.684 1.00 71.11 H new ATOM 0 HD12 LEU A 71 0.877 -11.284 4.701 1.00 71.11 H new ATOM 0 HD13 LEU A 71 0.473 -11.234 6.434 1.00 71.11 H new ATOM 0 HD21 LEU A 71 -1.050 -13.910 6.455 1.00 63.12 H new ATOM 0 HD22 LEU A 71 -1.655 -12.428 7.232 1.00 63.12 H new ATOM 0 HD23 LEU A 71 -2.657 -13.274 6.029 1.00 63.12 H new ATOM 1122 N GLN A 72 -3.556 -10.253 2.663 1.00 13.31 N ATOM 1123 CA GLN A 72 -4.545 -10.711 1.712 1.00 2.52 C ATOM 1124 C GLN A 72 -4.425 -9.935 0.408 1.00 22.21 C ATOM 1125 O GLN A 72 -4.641 -10.479 -0.673 1.00 14.42 O ATOM 1126 CB GLN A 72 -5.926 -10.532 2.331 1.00 71.32 C ATOM 1127 CG GLN A 72 -5.994 -11.041 3.766 1.00 63.33 C ATOM 1128 CD GLN A 72 -5.883 -12.552 3.859 1.00 20.30 C ATOM 1129 OE1 GLN A 72 -6.882 -13.268 3.796 1.00 11.43 O ATOM 1130 NE2 GLN A 72 -4.666 -13.048 4.021 1.00 30.03 N ATOM 0 H GLN A 72 -3.940 -9.676 3.411 1.00 13.31 H new ATOM 0 HA GLN A 72 -4.385 -11.764 1.481 1.00 2.52 H new ATOM 0 HB2 GLN A 72 -6.195 -9.476 2.311 1.00 71.32 H new ATOM 0 HB3 GLN A 72 -6.663 -11.061 1.726 1.00 71.32 H new ATOM 0 HG2 GLN A 72 -5.192 -10.586 4.347 1.00 63.33 H new ATOM 0 HG3 GLN A 72 -6.934 -10.722 4.216 1.00 63.33 H new ATOM 0 HE21 GLN A 72 -3.862 -12.422 4.069 1.00 30.03 H new ATOM 0 HE22 GLN A 72 -4.532 -14.056 4.098 1.00 30.03 H new ATOM 1139 N ALA A 73 -4.052 -8.666 0.523 1.00 42.50 N ATOM 1140 CA ALA A 73 -3.866 -7.811 -0.640 1.00 52.11 C ATOM 1141 C ALA A 73 -2.655 -8.265 -1.451 1.00 52.11 C ATOM 1142 O ALA A 73 -2.675 -8.239 -2.683 1.00 11.55 O ATOM 1143 CB ALA A 73 -3.714 -6.363 -0.203 1.00 63.54 C ATOM 0 H ALA A 73 -3.872 -8.206 1.415 1.00 42.50 H new ATOM 0 HA ALA A 73 -4.746 -7.889 -1.278 1.00 52.11 H new ATOM 0 HB1 ALA A 73 -3.575 -5.731 -1.080 1.00 63.54 H new ATOM 0 HB2 ALA A 73 -4.610 -6.049 0.333 1.00 63.54 H new ATOM 0 HB3 ALA A 73 -2.848 -6.270 0.452 1.00 63.54 H new ATOM 1149 N ARG A 74 -1.607 -8.678 -0.746 1.00 44.54 N ATOM 1150 CA ARG A 74 -0.419 -9.249 -1.374 1.00 62.44 C ATOM 1151 C ARG A 74 -0.807 -10.432 -2.254 1.00 62.23 C ATOM 1152 O ARG A 74 -0.514 -10.450 -3.450 1.00 51.30 O ATOM 1153 CB ARG A 74 0.569 -9.691 -0.288 1.00 71.12 C ATOM 1154 CG ARG A 74 1.719 -10.572 -0.768 1.00 71.12 C ATOM 1155 CD ARG A 74 2.744 -9.810 -1.597 1.00 62.51 C ATOM 1156 NE ARG A 74 4.010 -10.544 -1.685 1.00 32.12 N ATOM 1157 CZ ARG A 74 4.960 -10.322 -2.596 1.00 61.54 C ATOM 1158 NH1 ARG A 74 4.803 -9.375 -3.516 1.00 73.43 N ATOM 1159 NH2 ARG A 74 6.075 -11.045 -2.575 1.00 22.10 N ATOM 0 H ARG A 74 -1.556 -8.627 0.271 1.00 44.54 H new ATOM 0 HA ARG A 74 0.056 -8.495 -2.002 1.00 62.44 H new ATOM 0 HB2 ARG A 74 0.987 -8.801 0.182 1.00 71.12 H new ATOM 0 HB3 ARG A 74 0.018 -10.230 0.483 1.00 71.12 H new ATOM 0 HG2 ARG A 74 2.215 -11.015 0.095 1.00 71.12 H new ATOM 0 HG3 ARG A 74 1.317 -11.393 -1.362 1.00 71.12 H new ATOM 0 HD2 ARG A 74 2.350 -9.639 -2.599 1.00 62.51 H new ATOM 0 HD3 ARG A 74 2.919 -8.831 -1.152 1.00 62.51 H new ATOM 0 HE ARG A 74 4.177 -11.280 -0.999 1.00 32.12 H new ATOM 0 HH11 ARG A 74 3.952 -8.812 -3.529 1.00 73.43 H new ATOM 0 HH12 ARG A 74 5.533 -9.211 -4.209 1.00 73.43 H new ATOM 0 HH21 ARG A 74 6.202 -11.766 -1.865 1.00 22.10 H new ATOM 0 HH22 ARG A 74 6.804 -10.879 -3.269 1.00 22.10 H new ATOM 1173 N LYS A 75 -1.489 -11.401 -1.657 1.00 31.10 N ATOM 1174 CA LYS A 75 -1.921 -12.590 -2.381 1.00 2.22 C ATOM 1175 C LYS A 75 -2.898 -12.229 -3.495 1.00 60.22 C ATOM 1176 O LYS A 75 -2.879 -12.834 -4.565 1.00 14.12 O ATOM 1177 CB LYS A 75 -2.568 -13.584 -1.419 1.00 34.11 C ATOM 1178 CG LYS A 75 -1.640 -14.038 -0.308 1.00 42.22 C ATOM 1179 CD LYS A 75 -2.349 -14.963 0.663 1.00 14.42 C ATOM 1180 CE LYS A 75 -1.420 -15.419 1.770 1.00 64.54 C ATOM 1181 NZ LYS A 75 -0.307 -16.262 1.251 1.00 63.22 N ATOM 0 H LYS A 75 -1.755 -11.387 -0.672 1.00 31.10 H new ATOM 0 HA LYS A 75 -1.043 -13.049 -2.834 1.00 2.22 H new ATOM 0 HB2 LYS A 75 -3.454 -13.128 -0.978 1.00 34.11 H new ATOM 0 HB3 LYS A 75 -2.904 -14.456 -1.981 1.00 34.11 H new ATOM 0 HG2 LYS A 75 -0.779 -14.550 -0.738 1.00 42.22 H new ATOM 0 HG3 LYS A 75 -1.259 -13.169 0.228 1.00 42.22 H new ATOM 0 HD2 LYS A 75 -3.208 -14.450 1.095 1.00 14.42 H new ATOM 0 HD3 LYS A 75 -2.732 -15.831 0.127 1.00 14.42 H new ATOM 0 HE2 LYS A 75 -1.008 -14.548 2.280 1.00 64.54 H new ATOM 0 HE3 LYS A 75 -1.987 -15.983 2.510 1.00 64.54 H new ATOM 0 HZ1 LYS A 75 0.183 -16.718 2.047 1.00 63.22 H new ATOM 0 HZ2 LYS A 75 -0.691 -16.992 0.617 1.00 63.22 H new ATOM 0 HZ3 LYS A 75 0.364 -15.666 0.726 1.00 63.22 H new ATOM 1195 N MET A 76 -3.746 -11.238 -3.238 1.00 11.41 N ATOM 1196 CA MET A 76 -4.716 -10.776 -4.229 1.00 23.33 C ATOM 1197 C MET A 76 -4.029 -10.351 -5.523 1.00 50.15 C ATOM 1198 O MET A 76 -4.406 -10.791 -6.607 1.00 53.23 O ATOM 1199 CB MET A 76 -5.519 -9.596 -3.687 1.00 0.30 C ATOM 1200 CG MET A 76 -6.578 -9.093 -4.656 1.00 23.32 C ATOM 1201 SD MET A 76 -6.982 -7.356 -4.409 1.00 3.11 S ATOM 1202 CE MET A 76 -5.438 -6.602 -4.906 1.00 44.41 C ATOM 0 H MET A 76 -3.782 -10.737 -2.350 1.00 11.41 H new ATOM 0 HA MET A 76 -5.384 -11.611 -4.439 1.00 23.33 H new ATOM 0 HB2 MET A 76 -6.000 -9.891 -2.755 1.00 0.30 H new ATOM 0 HB3 MET A 76 -4.837 -8.780 -3.449 1.00 0.30 H new ATOM 0 HG2 MET A 76 -6.227 -9.238 -5.678 1.00 23.32 H new ATOM 0 HG3 MET A 76 -7.482 -9.691 -4.542 1.00 23.32 H new ATOM 0 HE1 MET A 76 -5.133 -5.870 -4.158 1.00 44.41 H new ATOM 0 HE2 MET A 76 -4.670 -7.370 -4.996 1.00 44.41 H new ATOM 0 HE3 MET A 76 -5.568 -6.106 -5.868 1.00 44.41 H new ATOM 1212 N VAL A 77 -3.015 -9.502 -5.403 1.00 4.12 N ATOM 1213 CA VAL A 77 -2.302 -9.006 -6.574 1.00 70.00 C ATOM 1214 C VAL A 77 -1.555 -10.139 -7.266 1.00 30.23 C ATOM 1215 O VAL A 77 -1.502 -10.203 -8.493 1.00 24.44 O ATOM 1216 CB VAL A 77 -1.305 -7.885 -6.215 1.00 33.30 C ATOM 1217 CG1 VAL A 77 -0.559 -7.412 -7.454 1.00 11.44 C ATOM 1218 CG2 VAL A 77 -2.019 -6.720 -5.553 1.00 44.54 C ATOM 0 H VAL A 77 -2.670 -9.144 -4.512 1.00 4.12 H new ATOM 0 HA VAL A 77 -3.052 -8.592 -7.248 1.00 70.00 H new ATOM 0 HB VAL A 77 -0.581 -8.291 -5.509 1.00 33.30 H new ATOM 0 HG11 VAL A 77 0.139 -6.621 -7.179 1.00 11.44 H new ATOM 0 HG12 VAL A 77 -0.009 -8.247 -7.888 1.00 11.44 H new ATOM 0 HG13 VAL A 77 -1.272 -7.029 -8.184 1.00 11.44 H new ATOM 0 HG21 VAL A 77 -1.296 -5.942 -5.309 1.00 44.54 H new ATOM 0 HG22 VAL A 77 -2.769 -6.318 -6.234 1.00 44.54 H new ATOM 0 HG23 VAL A 77 -2.505 -7.063 -4.640 1.00 44.54 H new ATOM 1228 N MET A 78 -0.997 -11.043 -6.475 1.00 13.45 N ATOM 1229 CA MET A 78 -0.266 -12.175 -7.024 1.00 43.24 C ATOM 1230 C MET A 78 -1.218 -13.117 -7.753 1.00 32.20 C ATOM 1231 O MET A 78 -0.817 -13.816 -8.677 1.00 64.12 O ATOM 1232 CB MET A 78 0.489 -12.923 -5.923 1.00 73.15 C ATOM 1233 CG MET A 78 1.452 -12.038 -5.147 1.00 71.53 C ATOM 1234 SD MET A 78 2.465 -12.959 -3.978 1.00 62.50 S ATOM 1235 CE MET A 78 3.560 -13.827 -5.098 1.00 10.42 C ATOM 0 H MET A 78 -1.036 -11.016 -5.456 1.00 13.45 H new ATOM 0 HA MET A 78 0.465 -11.796 -7.738 1.00 43.24 H new ATOM 0 HB2 MET A 78 -0.231 -13.360 -5.231 1.00 73.15 H new ATOM 0 HB3 MET A 78 1.044 -13.749 -6.369 1.00 73.15 H new ATOM 0 HG2 MET A 78 2.101 -11.514 -5.848 1.00 71.53 H new ATOM 0 HG3 MET A 78 0.885 -11.278 -4.609 1.00 71.53 H new ATOM 0 HE1 MET A 78 4.426 -14.196 -4.548 1.00 10.42 H new ATOM 0 HE2 MET A 78 3.030 -14.667 -5.547 1.00 10.42 H new ATOM 0 HE3 MET A 78 3.892 -13.147 -5.882 1.00 10.42 H new ATOM 1245 N ASP A 79 -2.476 -13.124 -7.328 1.00 63.41 N ATOM 1246 CA ASP A 79 -3.521 -13.876 -8.019 1.00 42.43 C ATOM 1247 C ASP A 79 -3.915 -13.163 -9.305 1.00 12.10 C ATOM 1248 O ASP A 79 -4.098 -13.795 -10.346 1.00 4.11 O ATOM 1249 CB ASP A 79 -4.749 -14.049 -7.123 1.00 54.23 C ATOM 1250 CG ASP A 79 -5.913 -14.681 -7.860 1.00 2.40 C ATOM 1251 OD1 ASP A 79 -5.891 -15.913 -8.075 1.00 1.32 O ATOM 1252 OD2 ASP A 79 -6.854 -13.950 -8.234 1.00 2.01 O ATOM 0 H ASP A 79 -2.800 -12.616 -6.505 1.00 63.41 H new ATOM 0 HA ASP A 79 -3.128 -14.863 -8.262 1.00 42.43 H new ATOM 0 HB2 ASP A 79 -4.486 -14.668 -6.265 1.00 54.23 H new ATOM 0 HB3 ASP A 79 -5.052 -13.077 -6.734 1.00 54.23 H new ATOM 1257 N ILE A 80 -4.045 -11.845 -9.218 1.00 4.01 N ATOM 1258 CA ILE A 80 -4.314 -11.007 -10.381 1.00 41.41 C ATOM 1259 C ILE A 80 -3.258 -11.235 -11.457 1.00 61.41 C ATOM 1260 O ILE A 80 -3.580 -11.499 -12.613 1.00 21.44 O ATOM 1261 CB ILE A 80 -4.341 -9.510 -9.989 1.00 65.24 C ATOM 1262 CG1 ILE A 80 -5.572 -9.215 -9.139 1.00 14.33 C ATOM 1263 CG2 ILE A 80 -4.323 -8.619 -11.222 1.00 33.40 C ATOM 1264 CD1 ILE A 80 -5.569 -7.835 -8.518 1.00 34.53 C ATOM 0 H ILE A 80 -3.967 -11.328 -8.342 1.00 4.01 H new ATOM 0 HA ILE A 80 -5.292 -11.284 -10.774 1.00 41.41 H new ATOM 0 HB ILE A 80 -3.446 -9.294 -9.406 1.00 65.24 H new ATOM 0 HG12 ILE A 80 -6.463 -9.323 -9.757 1.00 14.33 H new ATOM 0 HG13 ILE A 80 -5.642 -9.960 -8.346 1.00 14.33 H new ATOM 0 HG21 ILE A 80 -4.343 -7.573 -10.915 1.00 33.40 H new ATOM 0 HG22 ILE A 80 -3.417 -8.812 -11.797 1.00 33.40 H new ATOM 0 HG23 ILE A 80 -5.196 -8.833 -11.838 1.00 33.40 H new ATOM 0 HD11 ILE A 80 -6.476 -7.699 -7.929 1.00 34.53 H new ATOM 0 HD12 ILE A 80 -4.697 -7.728 -7.872 1.00 34.53 H new ATOM 0 HD13 ILE A 80 -5.532 -7.082 -9.305 1.00 34.53 H new ATOM 1276 N LEU A 81 -2.000 -11.148 -11.052 1.00 13.34 N ATOM 1277 CA LEU A 81 -0.881 -11.347 -11.965 1.00 10.31 C ATOM 1278 C LEU A 81 -0.759 -12.804 -12.399 1.00 32.20 C ATOM 1279 O LEU A 81 -0.201 -13.100 -13.452 1.00 3.24 O ATOM 1280 CB LEU A 81 0.416 -10.872 -11.318 1.00 12.52 C ATOM 1281 CG LEU A 81 0.440 -9.386 -10.965 1.00 13.13 C ATOM 1282 CD1 LEU A 81 1.780 -9.003 -10.370 1.00 35.42 C ATOM 1283 CD2 LEU A 81 0.140 -8.541 -12.193 1.00 61.32 C ATOM 0 H LEU A 81 -1.726 -10.940 -10.092 1.00 13.34 H new ATOM 0 HA LEU A 81 -1.071 -10.754 -12.860 1.00 10.31 H new ATOM 0 HB2 LEU A 81 0.588 -11.451 -10.411 1.00 12.52 H new ATOM 0 HB3 LEU A 81 1.244 -11.085 -11.994 1.00 12.52 H new ATOM 0 HG LEU A 81 -0.333 -9.197 -10.221 1.00 13.13 H new ATOM 0 HD11 LEU A 81 1.779 -7.941 -10.125 1.00 35.42 H new ATOM 0 HD12 LEU A 81 1.956 -9.584 -9.465 1.00 35.42 H new ATOM 0 HD13 LEU A 81 2.571 -9.208 -11.092 1.00 35.42 H new ATOM 0 HD21 LEU A 81 0.161 -7.485 -11.922 1.00 61.32 H new ATOM 0 HD22 LEU A 81 0.890 -8.734 -12.960 1.00 61.32 H new ATOM 0 HD23 LEU A 81 -0.847 -8.797 -12.578 1.00 61.32 H new ATOM 1295 N ASN A 82 -1.255 -13.715 -11.577 1.00 54.21 N ATOM 1296 CA ASN A 82 -1.256 -15.127 -11.932 1.00 30.42 C ATOM 1297 C ASN A 82 -2.298 -15.385 -13.017 1.00 41.31 C ATOM 1298 O ASN A 82 -2.096 -16.203 -13.915 1.00 62.41 O ATOM 1299 CB ASN A 82 -1.543 -15.991 -10.701 1.00 54.15 C ATOM 1300 CG ASN A 82 -1.420 -17.476 -10.983 1.00 61.03 C ATOM 1301 OD1 ASN A 82 -0.640 -17.898 -11.834 1.00 53.24 O ATOM 1302 ND2 ASN A 82 -2.175 -18.276 -10.252 1.00 44.13 N ATOM 0 H ASN A 82 -1.660 -13.505 -10.665 1.00 54.21 H new ATOM 0 HA ASN A 82 -0.271 -15.395 -12.314 1.00 30.42 H new ATOM 0 HB2 ASN A 82 -0.852 -15.719 -9.903 1.00 54.15 H new ATOM 0 HB3 ASN A 82 -2.549 -15.777 -10.339 1.00 54.15 H new ATOM 0 HD21 ASN A 82 -2.124 -19.286 -10.383 1.00 44.13 H new ATOM 0 HD22 ASN A 82 -2.809 -17.884 -9.556 1.00 44.13 H new ATOM 1309 N PHE A 83 -3.411 -14.673 -12.925 1.00 12.43 N ATOM 1310 CA PHE A 83 -4.466 -14.759 -13.923 1.00 35.45 C ATOM 1311 C PHE A 83 -4.082 -14.001 -15.190 1.00 4.30 C ATOM 1312 O PHE A 83 -4.150 -14.539 -16.295 1.00 45.33 O ATOM 1313 CB PHE A 83 -5.773 -14.200 -13.353 1.00 34.03 C ATOM 1314 CG PHE A 83 -6.893 -14.108 -14.355 1.00 31.01 C ATOM 1315 CD1 PHE A 83 -7.510 -15.252 -14.836 1.00 5.04 C ATOM 1316 CD2 PHE A 83 -7.334 -12.872 -14.807 1.00 61.35 C ATOM 1317 CE1 PHE A 83 -8.544 -15.166 -15.750 1.00 11.34 C ATOM 1318 CE2 PHE A 83 -8.366 -12.781 -15.722 1.00 63.24 C ATOM 1319 CZ PHE A 83 -8.972 -13.930 -16.193 1.00 42.52 C ATOM 0 H PHE A 83 -3.608 -14.024 -12.163 1.00 12.43 H new ATOM 0 HA PHE A 83 -4.607 -15.808 -14.182 1.00 35.45 H new ATOM 0 HB2 PHE A 83 -6.093 -14.830 -12.523 1.00 34.03 H new ATOM 0 HB3 PHE A 83 -5.583 -13.207 -12.945 1.00 34.03 H new ATOM 0 HD1 PHE A 83 -7.180 -16.221 -14.493 1.00 5.04 H new ATOM 0 HD2 PHE A 83 -6.865 -11.971 -14.440 1.00 61.35 H new ATOM 0 HE1 PHE A 83 -9.017 -16.065 -16.117 1.00 11.34 H new ATOM 0 HE2 PHE A 83 -8.698 -11.813 -16.068 1.00 63.24 H new ATOM 0 HZ PHE A 83 -9.780 -13.862 -16.907 1.00 42.52 H new ATOM 1329 N TYR A 84 -3.674 -12.754 -15.019 1.00 21.00 N ATOM 1330 CA TYR A 84 -3.373 -11.886 -16.136 1.00 65.53 C ATOM 1331 C TYR A 84 -1.913 -11.459 -16.080 1.00 60.33 C ATOM 1332 O TYR A 84 -1.398 -11.118 -15.016 1.00 71.00 O ATOM 1333 CB TYR A 84 -4.322 -10.672 -16.126 1.00 41.32 C ATOM 1334 CG TYR A 84 -3.668 -9.336 -15.826 1.00 42.31 C ATOM 1335 CD1 TYR A 84 -3.392 -8.940 -14.520 1.00 64.21 C ATOM 1336 CD2 TYR A 84 -3.347 -8.462 -16.855 1.00 11.20 C ATOM 1337 CE1 TYR A 84 -2.812 -7.718 -14.255 1.00 34.35 C ATOM 1338 CE2 TYR A 84 -2.765 -7.241 -16.598 1.00 62.22 C ATOM 1339 CZ TYR A 84 -2.498 -6.872 -15.301 1.00 4.23 C ATOM 1340 OH TYR A 84 -1.918 -5.650 -15.053 1.00 63.33 O ATOM 0 H TYR A 84 -3.544 -12.320 -14.105 1.00 21.00 H new ATOM 0 HA TYR A 84 -3.528 -12.423 -17.072 1.00 65.53 H new ATOM 0 HB2 TYR A 84 -4.812 -10.607 -17.098 1.00 41.32 H new ATOM 0 HB3 TYR A 84 -5.103 -10.849 -15.387 1.00 41.32 H new ATOM 0 HD1 TYR A 84 -3.636 -9.601 -13.702 1.00 64.21 H new ATOM 0 HD2 TYR A 84 -3.558 -8.745 -17.876 1.00 11.20 H new ATOM 0 HE1 TYR A 84 -2.604 -7.424 -13.237 1.00 34.35 H new ATOM 0 HE2 TYR A 84 -2.519 -6.576 -17.412 1.00 62.22 H new ATOM 0 HH TYR A 84 -1.468 -5.672 -14.183 1.00 63.33 H new ATOM 1350 N ASN A 85 -1.255 -11.505 -17.230 1.00 11.31 N ATOM 1351 CA ASN A 85 0.166 -11.171 -17.333 1.00 64.20 C ATOM 1352 C ASN A 85 0.994 -12.189 -16.540 1.00 51.13 C ATOM 1353 O ASN A 85 2.031 -11.866 -15.954 1.00 40.52 O ATOM 1354 CB ASN A 85 0.419 -9.733 -16.842 1.00 50.31 C ATOM 1355 CG ASN A 85 1.816 -9.228 -17.161 1.00 2.41 C ATOM 1356 OD1 ASN A 85 2.461 -9.693 -18.099 1.00 30.24 O ATOM 1357 ND2 ASN A 85 2.283 -8.250 -16.399 1.00 72.24 N ATOM 0 H ASN A 85 -1.685 -11.773 -18.115 1.00 11.31 H new ATOM 0 HA ASN A 85 0.473 -11.219 -18.378 1.00 64.20 H new ATOM 0 HB2 ASN A 85 -0.314 -9.067 -17.297 1.00 50.31 H new ATOM 0 HB3 ASN A 85 0.262 -9.691 -15.764 1.00 50.31 H new ATOM 0 HD21 ASN A 85 3.207 -7.858 -16.582 1.00 72.24 H new ATOM 0 HD22 ASN A 85 1.719 -7.889 -15.629 1.00 72.24 H new ATOM 1364 N LYS A 86 0.533 -13.441 -16.563 1.00 34.41 N ATOM 1365 CA LYS A 86 1.182 -14.529 -15.832 1.00 52.52 C ATOM 1366 C LYS A 86 2.607 -14.749 -16.328 1.00 51.24 C ATOM 1367 O LYS A 86 3.462 -15.257 -15.597 1.00 51.01 O ATOM 1368 CB LYS A 86 0.393 -15.831 -15.987 1.00 64.43 C ATOM 1369 CG LYS A 86 0.924 -16.964 -15.123 1.00 45.15 C ATOM 1370 CD LYS A 86 0.557 -18.321 -15.694 1.00 63.13 C ATOM 1371 CE LYS A 86 1.079 -19.449 -14.817 1.00 32.53 C ATOM 1372 NZ LYS A 86 0.234 -19.656 -13.613 1.00 21.14 N ATOM 0 H LYS A 86 -0.295 -13.727 -17.085 1.00 34.41 H new ATOM 0 HA LYS A 86 1.210 -14.244 -14.780 1.00 52.52 H new ATOM 0 HB2 LYS A 86 -0.651 -15.648 -15.732 1.00 64.43 H new ATOM 0 HB3 LYS A 86 0.416 -16.139 -17.032 1.00 64.43 H new ATOM 0 HG2 LYS A 86 2.008 -16.884 -15.042 1.00 45.15 H new ATOM 0 HG3 LYS A 86 0.522 -16.872 -14.114 1.00 45.15 H new ATOM 0 HD2 LYS A 86 -0.526 -18.399 -15.784 1.00 63.13 H new ATOM 0 HD3 LYS A 86 0.968 -18.418 -16.699 1.00 63.13 H new ATOM 0 HE2 LYS A 86 1.116 -20.371 -15.397 1.00 32.53 H new ATOM 0 HE3 LYS A 86 2.100 -19.225 -14.509 1.00 32.53 H new ATOM 0 HZ1 LYS A 86 0.671 -20.375 -13.001 1.00 21.14 H new ATOM 0 HZ2 LYS A 86 0.150 -18.761 -13.090 1.00 21.14 H new ATOM 0 HZ3 LYS A 86 -0.711 -19.977 -13.904 1.00 21.14 H new ATOM 1386 N ASP A 87 2.855 -14.363 -17.575 1.00 41.05 N ATOM 1387 CA ASP A 87 4.180 -14.501 -18.171 1.00 40.22 C ATOM 1388 C ASP A 87 5.203 -13.690 -17.380 1.00 41.41 C ATOM 1389 O ASP A 87 6.387 -14.018 -17.354 1.00 5.34 O ATOM 1390 CB ASP A 87 4.158 -14.046 -19.630 1.00 4.41 C ATOM 1391 CG ASP A 87 5.436 -14.388 -20.365 1.00 22.51 C ATOM 1392 OD1 ASP A 87 5.621 -15.572 -20.718 1.00 64.15 O ATOM 1393 OD2 ASP A 87 6.257 -13.476 -20.602 1.00 5.32 O ATOM 0 H ASP A 87 2.156 -13.952 -18.193 1.00 41.05 H new ATOM 0 HA ASP A 87 4.467 -15.552 -18.139 1.00 40.22 H new ATOM 0 HB2 ASP A 87 3.314 -14.512 -20.139 1.00 4.41 H new ATOM 0 HB3 ASP A 87 3.998 -12.968 -19.668 1.00 4.41 H new ATOM 1398 N MET A 88 4.731 -12.639 -16.717 1.00 12.24 N ATOM 1399 CA MET A 88 5.581 -11.849 -15.839 1.00 34.32 C ATOM 1400 C MET A 88 5.574 -12.441 -14.433 1.00 43.02 C ATOM 1401 O MET A 88 6.574 -12.390 -13.722 1.00 0.04 O ATOM 1402 CB MET A 88 5.104 -10.396 -15.779 1.00 21.13 C ATOM 1403 CG MET A 88 6.009 -9.500 -14.951 1.00 1.52 C ATOM 1404 SD MET A 88 5.269 -7.890 -14.610 1.00 32.45 S ATOM 1405 CE MET A 88 3.902 -8.375 -13.557 1.00 2.13 C ATOM 0 H MET A 88 3.765 -12.316 -16.772 1.00 12.24 H new ATOM 0 HA MET A 88 6.594 -11.870 -16.241 1.00 34.32 H new ATOM 0 HB2 MET A 88 5.041 -10.000 -16.792 1.00 21.13 H new ATOM 0 HB3 MET A 88 4.097 -10.368 -15.362 1.00 21.13 H new ATOM 0 HG2 MET A 88 6.241 -9.996 -14.008 1.00 1.52 H new ATOM 0 HG3 MET A 88 6.953 -9.358 -15.477 1.00 1.52 H new ATOM 0 HE1 MET A 88 3.320 -7.494 -13.287 1.00 2.13 H new ATOM 0 HE2 MET A 88 3.265 -9.081 -14.090 1.00 2.13 H new ATOM 0 HE3 MET A 88 4.288 -8.846 -12.653 1.00 2.13 H new ATOM 1415 N TYR A 89 4.445 -13.023 -14.043 1.00 13.13 N ATOM 1416 CA TYR A 89 4.286 -13.573 -12.711 1.00 4.41 C ATOM 1417 C TYR A 89 5.257 -14.727 -12.478 1.00 54.45 C ATOM 1418 O TYR A 89 5.970 -14.753 -11.477 1.00 70.00 O ATOM 1419 CB TYR A 89 2.846 -14.036 -12.510 1.00 53.20 C ATOM 1420 CG TYR A 89 2.622 -14.741 -11.201 1.00 12.44 C ATOM 1421 CD1 TYR A 89 2.569 -14.031 -10.015 1.00 1.23 C ATOM 1422 CD2 TYR A 89 2.478 -16.115 -11.154 1.00 30.11 C ATOM 1423 CE1 TYR A 89 2.375 -14.674 -8.806 1.00 53.54 C ATOM 1424 CE2 TYR A 89 2.285 -16.772 -9.953 1.00 34.40 C ATOM 1425 CZ TYR A 89 2.234 -16.047 -8.780 1.00 74.12 C ATOM 1426 OH TYR A 89 2.044 -16.695 -7.578 1.00 73.43 O ATOM 0 H TYR A 89 3.623 -13.124 -14.639 1.00 13.13 H new ATOM 0 HA TYR A 89 4.513 -12.793 -11.984 1.00 4.41 H new ATOM 0 HB2 TYR A 89 2.183 -13.172 -12.567 1.00 53.20 H new ATOM 0 HB3 TYR A 89 2.570 -14.704 -13.326 1.00 53.20 H new ATOM 0 HD1 TYR A 89 2.681 -12.957 -10.033 1.00 1.23 H new ATOM 0 HD2 TYR A 89 2.517 -16.685 -12.071 1.00 30.11 H new ATOM 0 HE1 TYR A 89 2.334 -14.106 -7.888 1.00 53.54 H new ATOM 0 HE2 TYR A 89 2.175 -17.846 -9.933 1.00 34.40 H new ATOM 0 HH TYR A 89 1.962 -17.659 -7.735 1.00 73.43 H new ATOM 1436 N ASN A 90 5.300 -15.666 -13.415 1.00 43.13 N ATOM 1437 CA ASN A 90 6.195 -16.818 -13.291 1.00 63.40 C ATOM 1438 C ASN A 90 7.631 -16.430 -13.642 1.00 5.02 C ATOM 1439 O ASN A 90 8.527 -17.271 -13.688 1.00 31.40 O ATOM 1440 CB ASN A 90 5.715 -17.998 -14.155 1.00 40.12 C ATOM 1441 CG ASN A 90 6.056 -17.893 -15.639 1.00 72.01 C ATOM 1442 OD1 ASN A 90 6.267 -18.910 -16.300 1.00 3.33 O ATOM 1443 ND2 ASN A 90 6.092 -16.688 -16.185 1.00 23.12 N ATOM 0 H ASN A 90 4.733 -15.657 -14.263 1.00 43.13 H new ATOM 0 HA ASN A 90 6.175 -17.144 -12.251 1.00 63.40 H new ATOM 0 HB2 ASN A 90 6.150 -18.917 -13.762 1.00 40.12 H new ATOM 0 HB3 ASN A 90 4.634 -18.088 -14.052 1.00 40.12 H new ATOM 0 HD21 ASN A 90 6.299 -16.584 -17.178 1.00 23.12 H new ATOM 0 HD22 ASN A 90 5.913 -15.863 -15.612 1.00 23.12 H new ATOM 1450 N GLN A 91 7.833 -15.143 -13.885 1.00 24.30 N ATOM 1451 CA GLN A 91 9.151 -14.605 -14.159 1.00 64.15 C ATOM 1452 C GLN A 91 9.704 -13.931 -12.906 1.00 71.33 C ATOM 1453 O GLN A 91 10.890 -14.042 -12.602 1.00 22.34 O ATOM 1454 CB GLN A 91 9.071 -13.622 -15.334 1.00 12.41 C ATOM 1455 CG GLN A 91 10.402 -13.010 -15.743 1.00 55.33 C ATOM 1456 CD GLN A 91 10.604 -11.604 -15.202 1.00 22.44 C ATOM 1457 OE1 GLN A 91 10.132 -11.259 -14.120 1.00 51.41 O ATOM 1458 NE2 GLN A 91 11.289 -10.773 -15.967 1.00 62.02 N ATOM 0 H GLN A 91 7.088 -14.447 -13.897 1.00 24.30 H new ATOM 0 HA GLN A 91 9.830 -15.411 -14.436 1.00 64.15 H new ATOM 0 HB2 GLN A 91 8.645 -14.139 -16.194 1.00 12.41 H new ATOM 0 HB3 GLN A 91 8.383 -12.819 -15.072 1.00 12.41 H new ATOM 0 HG2 GLN A 91 11.212 -13.648 -15.390 1.00 55.33 H new ATOM 0 HG3 GLN A 91 10.465 -12.987 -16.831 1.00 55.33 H new ATOM 0 HE21 GLN A 91 11.666 -11.094 -16.859 1.00 62.02 H new ATOM 0 HE22 GLN A 91 11.441 -9.810 -15.666 1.00 62.02 H new ATOM 1467 N LEU A 92 8.832 -13.243 -12.172 1.00 42.23 N ATOM 1468 CA LEU A 92 9.230 -12.594 -10.929 1.00 55.10 C ATOM 1469 C LEU A 92 9.235 -13.598 -9.780 1.00 10.21 C ATOM 1470 O LEU A 92 9.944 -13.424 -8.788 1.00 31.12 O ATOM 1471 CB LEU A 92 8.323 -11.388 -10.623 1.00 23.15 C ATOM 1472 CG LEU A 92 6.813 -11.664 -10.548 1.00 2.03 C ATOM 1473 CD1 LEU A 92 6.412 -12.192 -9.178 1.00 53.20 C ATOM 1474 CD2 LEU A 92 6.030 -10.404 -10.874 1.00 52.11 C ATOM 0 H LEU A 92 7.849 -13.122 -12.417 1.00 42.23 H new ATOM 0 HA LEU A 92 10.246 -12.216 -11.046 1.00 55.10 H new ATOM 0 HB2 LEU A 92 8.638 -10.957 -9.673 1.00 23.15 H new ATOM 0 HB3 LEU A 92 8.493 -10.631 -11.388 1.00 23.15 H new ATOM 0 HG LEU A 92 6.577 -12.431 -11.286 1.00 2.03 H new ATOM 0 HD11 LEU A 92 5.338 -12.377 -9.159 1.00 53.20 H new ATOM 0 HD12 LEU A 92 6.944 -13.122 -8.977 1.00 53.20 H new ATOM 0 HD13 LEU A 92 6.667 -11.456 -8.416 1.00 53.20 H new ATOM 0 HD21 LEU A 92 4.962 -10.614 -10.817 1.00 52.11 H new ATOM 0 HD22 LEU A 92 6.285 -9.622 -10.158 1.00 52.11 H new ATOM 0 HD23 LEU A 92 6.281 -10.070 -11.881 1.00 52.11 H new ATOM 1486 N GLU A 93 8.436 -14.647 -9.915 1.00 54.34 N ATOM 1487 CA GLU A 93 8.457 -15.741 -8.961 1.00 60.22 C ATOM 1488 C GLU A 93 9.526 -16.742 -9.370 1.00 50.22 C ATOM 1489 O GLU A 93 9.320 -17.563 -10.267 1.00 61.11 O ATOM 1490 CB GLU A 93 7.084 -16.419 -8.880 1.00 32.44 C ATOM 1491 CG GLU A 93 7.047 -17.643 -7.973 1.00 42.45 C ATOM 1492 CD GLU A 93 7.411 -17.333 -6.535 1.00 31.44 C ATOM 1493 OE1 GLU A 93 8.619 -17.279 -6.221 1.00 41.12 O ATOM 1494 OE2 GLU A 93 6.493 -17.163 -5.707 1.00 13.54 O ATOM 0 H GLU A 93 7.767 -14.761 -10.676 1.00 54.34 H new ATOM 0 HA GLU A 93 8.691 -15.348 -7.972 1.00 60.22 H new ATOM 0 HB2 GLU A 93 6.353 -15.693 -8.523 1.00 32.44 H new ATOM 0 HB3 GLU A 93 6.777 -16.714 -9.883 1.00 32.44 H new ATOM 0 HG2 GLU A 93 6.048 -18.078 -8.002 1.00 42.45 H new ATOM 0 HG3 GLU A 93 7.734 -18.395 -8.361 1.00 42.45 H new ATOM 1501 N HIS A 94 10.681 -16.646 -8.736 1.00 71.24 N ATOM 1502 CA HIS A 94 11.795 -17.516 -9.064 1.00 32.21 C ATOM 1503 C HIS A 94 11.802 -18.748 -8.184 1.00 71.01 C ATOM 1504 O HIS A 94 12.363 -18.745 -7.090 1.00 43.22 O ATOM 1505 CB HIS A 94 13.125 -16.774 -8.949 1.00 45.44 C ATOM 1506 CG HIS A 94 13.379 -15.844 -10.091 1.00 2.32 C ATOM 1507 ND1 HIS A 94 13.292 -14.475 -9.983 1.00 14.23 N ATOM 1508 CD2 HIS A 94 13.719 -16.099 -11.375 1.00 71.20 C ATOM 1509 CE1 HIS A 94 13.566 -13.928 -11.153 1.00 24.53 C ATOM 1510 NE2 HIS A 94 13.829 -14.892 -12.017 1.00 31.10 N ATOM 0 H HIS A 94 10.871 -15.975 -7.992 1.00 71.24 H new ATOM 0 HA HIS A 94 11.669 -17.835 -10.099 1.00 32.21 H new ATOM 0 HB2 HIS A 94 13.139 -16.208 -8.018 1.00 45.44 H new ATOM 0 HB3 HIS A 94 13.936 -17.500 -8.893 1.00 45.44 H new ATOM 0 HD2 HIS A 94 13.875 -17.073 -11.814 1.00 71.20 H new ATOM 0 HE1 HIS A 94 13.574 -12.870 -11.368 1.00 24.53 H new ATOM 0 HE2 HIS A 94 14.073 -14.761 -12.999 1.00 31.10 H new ATOM 1519 N HIS A 95 11.141 -19.786 -8.656 1.00 4.50 N ATOM 1520 CA HIS A 95 11.173 -21.074 -7.993 1.00 53.15 C ATOM 1521 C HIS A 95 12.117 -21.998 -8.742 1.00 74.34 C ATOM 1522 O HIS A 95 11.900 -22.287 -9.919 1.00 4.51 O ATOM 1523 CB HIS A 95 9.769 -21.690 -7.929 1.00 30.13 C ATOM 1524 CG HIS A 95 9.751 -23.089 -7.382 1.00 13.20 C ATOM 1525 ND1 HIS A 95 9.524 -24.197 -8.165 1.00 45.40 N ATOM 1526 CD2 HIS A 95 9.952 -23.554 -6.127 1.00 71.02 C ATOM 1527 CE1 HIS A 95 9.585 -25.282 -7.419 1.00 23.53 C ATOM 1528 NE2 HIS A 95 9.846 -24.921 -6.178 1.00 31.31 N ATOM 0 H HIS A 95 10.572 -19.762 -9.502 1.00 4.50 H new ATOM 0 HA HIS A 95 11.527 -20.938 -6.971 1.00 53.15 H new ATOM 0 HB2 HIS A 95 9.132 -21.058 -7.310 1.00 30.13 H new ATOM 0 HB3 HIS A 95 9.337 -21.694 -8.930 1.00 30.13 H new ATOM 0 HD2 HIS A 95 10.158 -22.960 -5.249 1.00 71.02 H new ATOM 0 HE1 HIS A 95 9.445 -26.295 -7.766 1.00 23.53 H new ATOM 0 HE2 HIS A 95 9.952 -25.554 -5.386 1.00 31.31 H new ATOM 1537 N HIS A 96 13.175 -22.433 -8.071 1.00 2.50 N ATOM 1538 CA HIS A 96 14.120 -23.365 -8.672 1.00 63.41 C ATOM 1539 C HIS A 96 13.403 -24.655 -9.074 1.00 45.43 C ATOM 1540 O HIS A 96 12.854 -25.364 -8.231 1.00 32.53 O ATOM 1541 CB HIS A 96 15.315 -23.645 -7.736 1.00 53.43 C ATOM 1542 CG HIS A 96 14.990 -24.301 -6.421 1.00 31.51 C ATOM 1543 ND1 HIS A 96 15.887 -25.099 -5.749 1.00 52.34 N ATOM 1544 CD2 HIS A 96 13.886 -24.248 -5.639 1.00 23.13 C ATOM 1545 CE1 HIS A 96 15.351 -25.505 -4.616 1.00 11.24 C ATOM 1546 NE2 HIS A 96 14.136 -25.002 -4.523 1.00 31.43 N ATOM 0 H HIS A 96 13.400 -22.157 -7.115 1.00 2.50 H new ATOM 0 HA HIS A 96 14.529 -22.906 -9.572 1.00 63.41 H new ATOM 0 HB2 HIS A 96 16.026 -24.277 -8.268 1.00 53.43 H new ATOM 0 HB3 HIS A 96 15.819 -22.700 -7.532 1.00 53.43 H new ATOM 0 HD2 HIS A 96 12.975 -23.710 -5.855 1.00 23.13 H new ATOM 0 HE1 HIS A 96 15.827 -26.143 -3.886 1.00 11.24 H new ATOM 0 HE2 HIS A 96 13.489 -25.150 -3.748 1.00 31.43 H new ATOM 1555 N HIS A 97 13.372 -24.909 -10.378 1.00 62.23 N ATOM 1556 CA HIS A 97 12.664 -26.059 -10.936 1.00 43.23 C ATOM 1557 C HIS A 97 13.124 -27.360 -10.282 1.00 24.04 C ATOM 1558 O HIS A 97 14.299 -27.724 -10.339 1.00 73.34 O ATOM 1559 CB HIS A 97 12.829 -26.116 -12.468 1.00 63.52 C ATOM 1560 CG HIS A 97 14.240 -26.302 -12.960 1.00 12.40 C ATOM 1561 ND1 HIS A 97 14.558 -27.134 -14.010 1.00 51.32 N ATOM 1562 CD2 HIS A 97 15.409 -25.749 -12.559 1.00 34.04 C ATOM 1563 CE1 HIS A 97 15.858 -27.088 -14.229 1.00 72.41 C ATOM 1564 NE2 HIS A 97 16.401 -26.254 -13.364 1.00 73.14 N ATOM 0 H HIS A 97 13.834 -24.327 -11.077 1.00 62.23 H new ATOM 0 HA HIS A 97 11.603 -25.938 -10.718 1.00 43.23 H new ATOM 0 HB2 HIS A 97 12.218 -26.933 -12.852 1.00 63.52 H new ATOM 0 HB3 HIS A 97 12.433 -25.194 -12.894 1.00 63.52 H new ATOM 0 HD2 HIS A 97 15.538 -25.041 -11.754 1.00 34.04 H new ATOM 0 HE1 HIS A 97 16.389 -27.641 -14.990 1.00 72.41 H new ATOM 0 HE2 HIS A 97 17.392 -26.022 -13.303 1.00 73.14 H new ATOM 1573 N HIS A 98 12.193 -28.049 -9.644 1.00 62.43 N ATOM 1574 CA HIS A 98 12.516 -29.251 -8.896 1.00 64.30 C ATOM 1575 C HIS A 98 11.560 -30.377 -9.261 1.00 62.22 C ATOM 1576 O HIS A 98 10.379 -30.337 -8.920 1.00 72.43 O ATOM 1577 CB HIS A 98 12.440 -28.960 -7.395 1.00 53.41 C ATOM 1578 CG HIS A 98 13.005 -30.046 -6.534 1.00 71.33 C ATOM 1579 ND1 HIS A 98 12.244 -31.064 -6.008 1.00 34.42 N ATOM 1580 CD2 HIS A 98 14.267 -30.254 -6.092 1.00 53.12 C ATOM 1581 CE1 HIS A 98 13.013 -31.848 -5.279 1.00 4.11 C ATOM 1582 NE2 HIS A 98 14.246 -31.381 -5.309 1.00 33.24 N ATOM 0 H HIS A 98 11.205 -27.795 -9.629 1.00 62.43 H new ATOM 0 HA HIS A 98 13.529 -29.564 -9.150 1.00 64.30 H new ATOM 0 HB2 HIS A 98 12.973 -28.032 -7.188 1.00 53.41 H new ATOM 0 HB3 HIS A 98 11.398 -28.797 -7.119 1.00 53.41 H new ATOM 0 HD2 HIS A 98 15.131 -29.646 -6.314 1.00 53.12 H new ATOM 0 HE1 HIS A 98 12.687 -32.728 -4.745 1.00 4.11 H new ATOM 0 HE2 HIS A 98 15.049 -31.789 -4.831 1.00 33.24 H new ATOM 1591 N HIS A 99 12.072 -31.369 -9.967 1.00 22.03 N ATOM 1592 CA HIS A 99 11.271 -32.520 -10.364 1.00 10.41 C ATOM 1593 C HIS A 99 12.091 -33.801 -10.272 1.00 0.35 C ATOM 1594 O HIS A 99 13.322 -33.763 -10.361 1.00 31.42 O ATOM 1595 CB HIS A 99 10.718 -32.337 -11.788 1.00 32.45 C ATOM 1596 CG HIS A 99 11.769 -32.093 -12.832 1.00 53.31 C ATOM 1597 ND1 HIS A 99 12.073 -30.838 -13.311 1.00 63.14 N ATOM 1598 CD2 HIS A 99 12.588 -32.951 -13.485 1.00 73.31 C ATOM 1599 CE1 HIS A 99 13.032 -30.935 -14.212 1.00 32.21 C ATOM 1600 NE2 HIS A 99 13.360 -32.203 -14.333 1.00 55.42 N ATOM 0 H HIS A 99 13.042 -31.403 -10.280 1.00 22.03 H new ATOM 0 HA HIS A 99 10.428 -32.599 -9.678 1.00 10.41 H new ATOM 0 HB2 HIS A 99 10.150 -33.226 -12.062 1.00 32.45 H new ATOM 0 HB3 HIS A 99 10.020 -31.500 -11.789 1.00 32.45 H new ATOM 0 HD2 HIS A 99 12.625 -34.023 -13.360 1.00 73.31 H new ATOM 0 HE1 HIS A 99 13.473 -30.113 -14.757 1.00 32.21 H new ATOM 0 HE2 HIS A 99 14.076 -32.571 -14.959 1.00 55.42 H new TER 1609 HIS A 99