USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 610 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 37 CYS SG : rot 180:sc= -0.153 USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= 1.01 F(o=-8.6,f=-5.7) USER MOD Set 1.3: A 109 ASN : amide:sc= -6.52! C(o=-5.7!,f=-13!) USER MOD Set 2.1: A 69 CYS SG : rot 4:sc= -6.17! USER MOD Set 2.2: A 74 GLN :FLIP amide:sc= -0.358 F(o=-8.1,f=-6.5) USER MOD Single : A 39 SER OG : rot 39:sc= 0.234 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.314 F(o=-3.4!,f=-0.31) USER MOD Single : A 45 ASN : amide:sc= 1.08 K(o=1.1,f=-2.2) USER MOD Single : A 50 ASN : amide:sc= -1.44 K(o=-1.4,f=-8.1!) USER MOD Single : A 52 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.615) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -0.048 (180deg=-0.445) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 61 CYS SG : rot 35:sc= 0.117 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -7.86! C(o=-7.9!,f=-8.5!) USER MOD Single : A 71 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.41) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 84 GLN : amide:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 79:sc= -2.09! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.12) USER MOD Single : A 95 SER OG : rot 112:sc= 1.3 USER MOD Single : A 100 SER OG : rot 43:sc= 0.362 USER MOD Single : A 107 LYS NZ :NH3+ 157:sc= 0.998 (180deg=0.916) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 36 3.363 7.182 -4.961 1.00 0.00 N ATOM 31 CA GLU A 36 4.375 6.137 -4.877 1.00 0.00 C ATOM 32 C GLU A 36 3.750 4.775 -4.598 1.00 0.00 C ATOM 33 O GLU A 36 3.008 4.603 -3.634 1.00 0.00 O ATOM 34 CB GLU A 36 5.399 6.490 -3.795 1.00 0.00 C ATOM 35 CG GLU A 36 6.587 7.298 -4.306 1.00 0.00 C ATOM 36 CD GLU A 36 6.210 8.658 -4.866 1.00 0.00 C ATOM 37 OE1 GLU A 36 5.869 8.742 -6.065 1.00 0.00 O ATOM 38 OE2 GLU A 36 6.282 9.656 -4.118 1.00 0.00 O ATOM 0 HA GLU A 36 4.880 6.074 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.900 7.055 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.767 5.569 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.298 7.436 -3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.097 6.726 -5.081 1.00 0.00 H new ATOM 45 N CYS A 37 4.052 3.818 -5.458 1.00 0.00 N ATOM 46 CA CYS A 37 3.477 2.486 -5.360 1.00 0.00 C ATOM 47 C CYS A 37 4.529 1.483 -4.902 1.00 0.00 C ATOM 48 O CYS A 37 5.680 1.537 -5.343 1.00 0.00 O ATOM 49 CB CYS A 37 2.924 2.055 -6.719 1.00 0.00 C ATOM 50 SG CYS A 37 2.016 3.349 -7.596 1.00 0.00 S ATOM 0 H CYS A 37 4.697 3.940 -6.238 1.00 0.00 H new ATOM 0 HA CYS A 37 2.669 2.513 -4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.751 1.720 -7.345 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.265 1.199 -6.575 1.00 0.00 H new ATOM 0 HG CYS A 37 1.591 2.886 -8.734 1.00 0.00 H new ATOM 56 N VAL A 38 4.137 0.576 -4.024 1.00 0.00 N ATOM 57 CA VAL A 38 5.028 -0.484 -3.578 1.00 0.00 C ATOM 58 C VAL A 38 4.300 -1.824 -3.604 1.00 0.00 C ATOM 59 O VAL A 38 3.112 -1.901 -3.285 1.00 0.00 O ATOM 60 CB VAL A 38 5.586 -0.200 -2.161 1.00 0.00 C ATOM 61 CG1 VAL A 38 4.472 -0.131 -1.129 1.00 0.00 C ATOM 62 CG2 VAL A 38 6.617 -1.243 -1.766 1.00 0.00 C ATOM 0 H VAL A 38 3.207 0.551 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 38 5.874 -0.523 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 38 6.075 0.774 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.898 0.070 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.780 0.668 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.938 -1.081 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.994 -1.022 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.155 -2.230 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.443 -1.226 -2.477 1.00 0.00 H new ATOM 72 N SER A 39 4.997 -2.873 -4.010 1.00 0.00 N ATOM 73 CA SER A 39 4.396 -4.189 -4.092 1.00 0.00 C ATOM 74 C SER A 39 4.931 -5.093 -2.985 1.00 0.00 C ATOM 75 O SER A 39 6.110 -5.447 -2.964 1.00 0.00 O ATOM 76 CB SER A 39 4.639 -4.807 -5.474 1.00 0.00 C ATOM 77 OG SER A 39 6.020 -4.835 -5.802 1.00 0.00 O ATOM 0 H SER A 39 5.978 -2.836 -4.287 1.00 0.00 H new ATOM 0 HA SER A 39 3.320 -4.087 -3.953 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.240 -5.821 -5.494 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.097 -4.236 -6.228 1.00 0.00 H new ATOM 0 HG SER A 39 6.542 -5.057 -5.003 1.00 0.00 H new ATOM 83 N GLN A 40 4.051 -5.456 -2.066 1.00 0.00 N ATOM 84 CA GLN A 40 4.419 -6.274 -0.921 1.00 0.00 C ATOM 85 C GLN A 40 3.231 -7.108 -0.492 1.00 0.00 C ATOM 86 O GLN A 40 2.095 -6.783 -0.816 1.00 0.00 O ATOM 87 CB GLN A 40 4.891 -5.387 0.226 1.00 0.00 C ATOM 88 CG GLN A 40 6.381 -5.505 0.513 1.00 0.00 C ATOM 89 CD GLN A 40 6.708 -6.636 1.470 1.00 0.00 C ATOM 90 OE1 GLN A 40 5.819 -6.888 2.418 1.00 0.00 O flip ATOM 91 NE2 GLN A 40 7.764 -7.257 1.377 1.00 0.00 N flip ATOM 0 H GLN A 40 3.066 -5.194 -2.092 1.00 0.00 H new ATOM 0 HA GLN A 40 5.236 -6.939 -1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.655 -4.349 -0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.334 -5.645 1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.915 -5.662 -0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.741 -4.565 0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.424 -7.033 0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.981 -7.997 2.045 1.00 0.00 H new ATOM 100 N ALA A 41 3.494 -8.188 0.214 1.00 0.00 N ATOM 101 CA ALA A 41 2.445 -9.104 0.615 1.00 0.00 C ATOM 102 C ALA A 41 2.391 -9.249 2.131 1.00 0.00 C ATOM 103 O ALA A 41 3.401 -9.058 2.812 1.00 0.00 O ATOM 104 CB ALA A 41 2.691 -10.436 -0.051 1.00 0.00 C ATOM 0 H ALA A 41 4.429 -8.454 0.523 1.00 0.00 H new ATOM 0 HA ALA A 41 1.478 -8.712 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.910 -11.138 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.680 -10.309 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.661 -10.824 0.259 1.00 0.00 H new ATOM 110 N ILE A 42 1.214 -9.607 2.652 1.00 0.00 N ATOM 111 CA ILE A 42 1.001 -9.701 4.101 1.00 0.00 C ATOM 112 C ILE A 42 -0.122 -10.691 4.407 1.00 0.00 C ATOM 113 O ILE A 42 -0.816 -11.163 3.501 1.00 0.00 O ATOM 114 CB ILE A 42 0.638 -8.343 4.785 1.00 0.00 C ATOM 115 CG1 ILE A 42 -0.882 -8.128 4.806 1.00 0.00 C ATOM 116 CG2 ILE A 42 1.328 -7.163 4.113 1.00 0.00 C ATOM 117 CD1 ILE A 42 -1.311 -6.821 5.434 1.00 0.00 C ATOM 0 H ILE A 42 0.393 -9.837 2.092 1.00 0.00 H new ATOM 0 HA ILE A 42 1.957 -10.032 4.507 1.00 0.00 H new ATOM 0 HB ILE A 42 1.000 -8.398 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.258 -8.169 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.347 -8.950 5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.047 -6.240 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.409 -7.294 4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.022 -7.110 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.398 -6.745 5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.967 -6.784 6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.877 -5.990 4.877 1.00 0.00 H new ATOM 129 N ASP A 43 -0.293 -10.982 5.690 1.00 0.00 N ATOM 130 CA ASP A 43 -1.383 -11.823 6.181 1.00 0.00 C ATOM 131 C ASP A 43 -2.721 -11.121 6.008 1.00 0.00 C ATOM 132 O ASP A 43 -2.840 -9.945 6.337 1.00 0.00 O ATOM 133 CB ASP A 43 -1.167 -12.087 7.670 1.00 0.00 C ATOM 134 CG ASP A 43 0.004 -13.004 7.940 1.00 0.00 C ATOM 135 OD1 ASP A 43 -0.152 -14.236 7.822 1.00 0.00 O ATOM 136 OD2 ASP A 43 1.092 -12.490 8.277 1.00 0.00 O ATOM 0 H ASP A 43 0.324 -10.640 6.427 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.391 -12.754 5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.005 -11.139 8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.071 -12.527 8.091 1.00 0.00 H new ATOM 141 N ILE A 44 -3.743 -11.820 5.518 1.00 0.00 N ATOM 142 CA ILE A 44 -5.068 -11.214 5.439 1.00 0.00 C ATOM 143 C ILE A 44 -5.851 -11.589 6.676 1.00 0.00 C ATOM 144 O ILE A 44 -6.811 -10.929 7.055 1.00 0.00 O ATOM 145 CB ILE A 44 -5.891 -11.677 4.215 1.00 0.00 C ATOM 146 CG1 ILE A 44 -6.734 -12.914 4.540 1.00 0.00 C ATOM 147 CG2 ILE A 44 -4.971 -11.984 3.054 1.00 0.00 C ATOM 148 CD1 ILE A 44 -7.854 -13.140 3.558 1.00 0.00 C ATOM 0 H ILE A 44 -3.683 -12.780 5.179 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.909 -10.139 5.349 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.565 -10.864 3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.089 -13.792 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.152 -12.809 5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.562 -12.309 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.409 -11.089 2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.278 -12.776 3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.414 -14.031 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.520 -12.277 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.440 -13.276 2.559 1.00 0.00 H new ATOM 160 N ASN A 45 -5.445 -12.697 7.269 1.00 0.00 N ATOM 161 CA ASN A 45 -6.105 -13.227 8.442 1.00 0.00 C ATOM 162 C ASN A 45 -5.634 -12.429 9.651 1.00 0.00 C ATOM 163 O ASN A 45 -6.227 -12.478 10.729 1.00 0.00 O ATOM 164 CB ASN A 45 -5.703 -14.693 8.645 1.00 0.00 C ATOM 165 CG ASN A 45 -5.375 -15.412 7.346 1.00 0.00 C ATOM 166 OD1 ASN A 45 -4.247 -15.344 6.862 1.00 0.00 O ATOM 167 ND2 ASN A 45 -6.338 -16.100 6.767 1.00 0.00 N ATOM 0 H ASN A 45 -4.650 -13.251 6.950 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.186 -13.158 8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.837 -14.737 9.305 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.514 -15.219 9.148 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.157 -16.595 5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.264 -16.138 7.192 1.00 0.00 H new ATOM 174 N GLU A 46 -4.540 -11.699 9.443 1.00 0.00 N ATOM 175 CA GLU A 46 -3.889 -10.933 10.483 1.00 0.00 C ATOM 176 C GLU A 46 -3.818 -9.456 10.067 1.00 0.00 C ATOM 177 O GLU A 46 -4.196 -9.124 8.945 1.00 0.00 O ATOM 178 CB GLU A 46 -2.507 -11.539 10.777 1.00 0.00 C ATOM 179 CG GLU A 46 -2.584 -12.918 11.418 1.00 0.00 C ATOM 180 CD GLU A 46 -1.278 -13.350 12.050 1.00 0.00 C ATOM 181 OE1 GLU A 46 -1.022 -12.972 13.212 1.00 0.00 O ATOM 182 OE2 GLU A 46 -0.502 -14.072 11.396 1.00 0.00 O ATOM 0 H GLU A 46 -4.082 -11.627 8.534 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.463 -10.977 11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.942 -11.608 9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.956 -10.869 11.436 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.366 -12.916 12.177 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.875 -13.648 10.663 1.00 0.00 H new ATOM 189 N PRO A 47 -3.343 -8.562 10.952 1.00 0.00 N ATOM 190 CA PRO A 47 -3.460 -7.098 10.788 1.00 0.00 C ATOM 191 C PRO A 47 -3.010 -6.583 9.424 1.00 0.00 C ATOM 192 O PRO A 47 -1.990 -7.007 8.895 1.00 0.00 O ATOM 193 CB PRO A 47 -2.535 -6.547 11.881 1.00 0.00 C ATOM 194 CG PRO A 47 -1.707 -7.709 12.302 1.00 0.00 C ATOM 195 CD PRO A 47 -2.606 -8.887 12.171 1.00 0.00 C ATOM 0 HA PRO A 47 -4.501 -6.785 10.863 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.914 -5.736 11.501 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.107 -6.145 12.717 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.824 -7.814 11.672 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.355 -7.593 13.327 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.049 -9.819 12.076 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.266 -8.996 13.032 1.00 0.00 H new ATOM 203 N ILE A 48 -3.785 -5.663 8.861 1.00 0.00 N ATOM 204 CA ILE A 48 -3.428 -5.040 7.590 1.00 0.00 C ATOM 205 C ILE A 48 -2.482 -3.869 7.822 1.00 0.00 C ATOM 206 O ILE A 48 -1.806 -3.407 6.907 1.00 0.00 O ATOM 207 CB ILE A 48 -4.682 -4.550 6.813 1.00 0.00 C ATOM 208 CG1 ILE A 48 -5.078 -3.121 7.191 1.00 0.00 C ATOM 209 CG2 ILE A 48 -5.851 -5.472 7.059 1.00 0.00 C ATOM 210 CD1 ILE A 48 -4.609 -2.098 6.193 1.00 0.00 C ATOM 0 H ILE A 48 -4.662 -5.332 9.262 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.931 -5.799 6.986 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.418 -4.559 5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.163 -3.062 7.281 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.663 -2.882 8.170 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.720 -5.113 6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.598 -6.478 6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.081 -5.492 8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.920 -1.105 6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.522 -2.132 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.044 -2.315 5.218 1.00 0.00 H new ATOM 222 N GLY A 49 -2.433 -3.397 9.058 1.00 0.00 N ATOM 223 CA GLY A 49 -1.645 -2.222 9.362 1.00 0.00 C ATOM 224 C GLY A 49 -0.184 -2.535 9.556 1.00 0.00 C ATOM 225 O GLY A 49 0.600 -1.649 9.894 1.00 0.00 O ATOM 0 H GLY A 49 -2.923 -3.805 9.854 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.753 -1.498 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.035 -1.752 10.265 1.00 0.00 H new ATOM 229 N ASN A 50 0.202 -3.782 9.315 1.00 0.00 N ATOM 230 CA ASN A 50 1.595 -4.176 9.438 1.00 0.00 C ATOM 231 C ASN A 50 2.410 -3.599 8.281 1.00 0.00 C ATOM 232 O ASN A 50 3.634 -3.727 8.236 1.00 0.00 O ATOM 233 CB ASN A 50 1.724 -5.714 9.515 1.00 0.00 C ATOM 234 CG ASN A 50 1.176 -6.451 8.302 1.00 0.00 C ATOM 235 OD1 ASN A 50 1.262 -5.973 7.177 1.00 0.00 O ATOM 236 ND2 ASN A 50 0.592 -7.626 8.524 1.00 0.00 N ATOM 0 H ASN A 50 -0.429 -4.533 9.035 1.00 0.00 H new ATOM 0 HA ASN A 50 1.996 -3.770 10.367 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.776 -5.973 9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.203 -6.066 10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.200 -8.156 7.746 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.536 -7.997 9.473 1.00 0.00 H new ATOM 243 N LEU A 51 1.716 -2.926 7.364 1.00 0.00 N ATOM 244 CA LEU A 51 2.352 -2.258 6.234 1.00 0.00 C ATOM 245 C LEU A 51 3.318 -1.173 6.701 1.00 0.00 C ATOM 246 O LEU A 51 4.290 -0.867 6.018 1.00 0.00 O ATOM 247 CB LEU A 51 1.294 -1.651 5.302 1.00 0.00 C ATOM 248 CG LEU A 51 0.796 -2.565 4.177 1.00 0.00 C ATOM 249 CD1 LEU A 51 0.332 -3.899 4.719 1.00 0.00 C ATOM 250 CD2 LEU A 51 -0.328 -1.894 3.409 1.00 0.00 C ATOM 0 H LEU A 51 0.701 -2.830 7.385 1.00 0.00 H new ATOM 0 HA LEU A 51 2.922 -3.009 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.438 -1.347 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.706 -0.747 4.855 1.00 0.00 H new ATOM 0 HG LEU A 51 1.631 -2.746 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.015 -4.525 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.160 -4.393 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.484 -3.741 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.671 -2.556 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.155 -1.682 4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.034 -0.962 2.975 1.00 0.00 H new ATOM 262 N LYS A 52 3.070 -0.619 7.882 1.00 0.00 N ATOM 263 CA LYS A 52 3.940 0.415 8.422 1.00 0.00 C ATOM 264 C LYS A 52 5.299 -0.190 8.775 1.00 0.00 C ATOM 265 O LYS A 52 6.319 0.498 8.799 1.00 0.00 O ATOM 266 CB LYS A 52 3.335 1.071 9.667 1.00 0.00 C ATOM 267 CG LYS A 52 2.176 2.031 9.404 1.00 0.00 C ATOM 268 CD LYS A 52 1.898 2.845 10.661 1.00 0.00 C ATOM 269 CE LYS A 52 0.874 3.946 10.440 1.00 0.00 C ATOM 270 NZ LYS A 52 -0.520 3.439 10.391 1.00 0.00 N ATOM 0 H LYS A 52 2.280 -0.867 8.478 1.00 0.00 H new ATOM 0 HA LYS A 52 4.058 1.184 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.989 0.286 10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.122 1.614 10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.420 2.695 8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.286 1.473 9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.543 2.179 11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.829 3.288 11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.960 4.681 11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.100 4.463 9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.169 4.172 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.768 3.199 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.602 2.590 10.987 1.00 0.00 H new ATOM 284 N LYS A 53 5.294 -1.485 9.062 1.00 0.00 N ATOM 285 CA LYS A 53 6.514 -2.209 9.388 1.00 0.00 C ATOM 286 C LYS A 53 7.174 -2.774 8.134 1.00 0.00 C ATOM 287 O LYS A 53 8.356 -2.541 7.884 1.00 0.00 O ATOM 288 CB LYS A 53 6.213 -3.350 10.356 1.00 0.00 C ATOM 289 CG LYS A 53 5.809 -2.893 11.746 1.00 0.00 C ATOM 290 CD LYS A 53 5.488 -4.077 12.645 1.00 0.00 C ATOM 291 CE LYS A 53 5.324 -3.653 14.096 1.00 0.00 C ATOM 292 NZ LYS A 53 6.578 -3.078 14.650 1.00 0.00 N ATOM 0 H LYS A 53 4.451 -2.059 9.075 1.00 0.00 H new ATOM 0 HA LYS A 53 7.200 -1.503 9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.414 -3.964 9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.094 -3.986 10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.615 -2.307 12.187 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.940 -2.239 11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.572 -4.558 12.301 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.284 -4.817 12.570 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.523 -2.917 14.171 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.024 -4.513 14.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.541 -3.100 15.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.391 -3.637 14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.681 -2.094 14.328 1.00 0.00 H new ATOM 306 N LEU A 54 6.392 -3.499 7.341 1.00 0.00 N ATOM 307 CA LEU A 54 6.922 -4.239 6.200 1.00 0.00 C ATOM 308 C LEU A 54 7.367 -3.305 5.081 1.00 0.00 C ATOM 309 O LEU A 54 8.294 -3.616 4.337 1.00 0.00 O ATOM 310 CB LEU A 54 5.881 -5.229 5.657 1.00 0.00 C ATOM 311 CG LEU A 54 5.758 -6.565 6.408 1.00 0.00 C ATOM 312 CD1 LEU A 54 5.270 -6.366 7.833 1.00 0.00 C ATOM 313 CD2 LEU A 54 4.821 -7.499 5.661 1.00 0.00 C ATOM 0 H LEU A 54 5.384 -3.590 7.468 1.00 0.00 H new ATOM 0 HA LEU A 54 7.792 -4.791 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.907 -4.740 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.122 -5.442 4.616 1.00 0.00 H new ATOM 0 HG LEU A 54 6.751 -7.011 6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.196 -7.333 8.331 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.973 -5.733 8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.290 -5.889 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.741 -8.442 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.835 -7.040 5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.214 -7.686 4.661 1.00 0.00 H new ATOM 325 N LEU A 55 6.716 -2.161 4.959 1.00 0.00 N ATOM 326 CA LEU A 55 7.002 -1.260 3.857 1.00 0.00 C ATOM 327 C LEU A 55 7.981 -0.164 4.248 1.00 0.00 C ATOM 328 O LEU A 55 8.371 0.645 3.405 1.00 0.00 O ATOM 329 CB LEU A 55 5.718 -0.653 3.291 1.00 0.00 C ATOM 330 CG LEU A 55 4.899 -1.596 2.408 1.00 0.00 C ATOM 331 CD1 LEU A 55 5.805 -2.292 1.413 1.00 0.00 C ATOM 332 CD2 LEU A 55 4.142 -2.622 3.237 1.00 0.00 C ATOM 0 H LEU A 55 5.994 -1.837 5.602 1.00 0.00 H new ATOM 0 HA LEU A 55 7.475 -1.859 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.094 -0.320 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.976 0.233 2.711 1.00 0.00 H new ATOM 0 HG LEU A 55 4.164 -0.998 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.213 -2.961 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.295 -1.548 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.559 -2.868 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.572 -3.274 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.850 -3.218 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.461 -2.110 3.917 1.00 0.00 H new ATOM 344 N GLU A 56 8.386 -0.136 5.515 1.00 0.00 N ATOM 345 CA GLU A 56 9.419 0.800 5.954 1.00 0.00 C ATOM 346 C GLU A 56 10.690 0.653 5.103 1.00 0.00 C ATOM 347 O GLU A 56 11.151 1.628 4.515 1.00 0.00 O ATOM 348 CB GLU A 56 9.759 0.621 7.435 1.00 0.00 C ATOM 349 CG GLU A 56 10.716 1.684 7.950 1.00 0.00 C ATOM 350 CD GLU A 56 11.255 1.370 9.325 1.00 0.00 C ATOM 351 OE1 GLU A 56 10.552 1.637 10.320 1.00 0.00 O ATOM 352 OE2 GLU A 56 12.383 0.846 9.415 1.00 0.00 O ATOM 0 H GLU A 56 8.020 -0.743 6.249 1.00 0.00 H new ATOM 0 HA GLU A 56 9.016 1.804 5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.840 0.651 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.201 -0.364 7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.548 1.786 7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.203 2.646 7.977 1.00 0.00 H new ATOM 359 N PRO A 57 11.266 -0.570 4.994 1.00 0.00 N ATOM 360 CA PRO A 57 12.479 -0.798 4.193 1.00 0.00 C ATOM 361 C PRO A 57 12.246 -0.564 2.704 1.00 0.00 C ATOM 362 O PRO A 57 13.167 -0.236 1.958 1.00 0.00 O ATOM 363 CB PRO A 57 12.809 -2.275 4.435 1.00 0.00 C ATOM 364 CG PRO A 57 11.538 -2.888 4.901 1.00 0.00 C ATOM 365 CD PRO A 57 10.806 -1.814 5.644 1.00 0.00 C ATOM 0 HA PRO A 57 13.276 -0.112 4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.165 -2.753 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.596 -2.385 5.181 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.948 -3.250 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.732 -3.745 5.546 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.726 -1.934 5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.048 -1.825 6.707 1.00 0.00 H new ATOM 373 N ARG A 58 11.005 -0.737 2.281 1.00 0.00 N ATOM 374 CA ARG A 58 10.652 -0.651 0.870 1.00 0.00 C ATOM 375 C ARG A 58 10.480 0.784 0.409 1.00 0.00 C ATOM 376 O ARG A 58 10.965 1.161 -0.653 1.00 0.00 O ATOM 377 CB ARG A 58 9.369 -1.437 0.612 1.00 0.00 C ATOM 378 CG ARG A 58 9.573 -2.905 0.234 1.00 0.00 C ATOM 379 CD ARG A 58 10.736 -3.562 0.971 1.00 0.00 C ATOM 380 NE ARG A 58 12.032 -3.172 0.405 1.00 0.00 N ATOM 381 CZ ARG A 58 12.826 -3.997 -0.276 1.00 0.00 C ATOM 382 NH1 ARG A 58 12.463 -5.255 -0.483 1.00 0.00 N ATOM 383 NH2 ARG A 58 13.981 -3.559 -0.762 1.00 0.00 N ATOM 0 H ARG A 58 10.218 -0.939 2.898 1.00 0.00 H new ATOM 0 HA ARG A 58 11.474 -1.081 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.747 -1.391 1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.815 -0.946 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.658 -3.458 0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.746 -2.976 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.702 -3.284 2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.630 -4.646 0.923 1.00 0.00 H new ATOM 0 HE ARG A 58 12.344 -2.211 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.572 -5.595 -0.120 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.074 -5.883 -1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.262 -2.590 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.588 -4.192 -1.283 1.00 0.00 H new ATOM 397 N LEU A 59 9.798 1.584 1.211 1.00 0.00 N ATOM 398 CA LEU A 59 9.521 2.963 0.840 1.00 0.00 C ATOM 399 C LEU A 59 10.559 3.906 1.430 1.00 0.00 C ATOM 400 O LEU A 59 10.731 5.034 0.961 1.00 0.00 O ATOM 401 CB LEU A 59 8.122 3.369 1.310 1.00 0.00 C ATOM 402 CG LEU A 59 6.972 2.570 0.693 1.00 0.00 C ATOM 403 CD1 LEU A 59 5.654 2.931 1.360 1.00 0.00 C ATOM 404 CD2 LEU A 59 6.903 2.816 -0.808 1.00 0.00 C ATOM 0 H LEU A 59 9.427 1.305 2.119 1.00 0.00 H new ATOM 0 HA LEU A 59 9.568 3.035 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.075 3.265 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.972 4.425 1.084 1.00 0.00 H new ATOM 0 HG LEU A 59 7.157 1.509 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.847 2.353 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.711 2.704 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.458 3.995 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.080 2.241 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.739 3.877 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.840 2.506 -1.271 1.00 0.00 H new ATOM 416 N GLN A 60 11.255 3.415 2.457 1.00 0.00 N ATOM 417 CA GLN A 60 12.216 4.209 3.222 1.00 0.00 C ATOM 418 C GLN A 60 11.549 5.462 3.771 1.00 0.00 C ATOM 419 O GLN A 60 12.182 6.496 3.978 1.00 0.00 O ATOM 420 CB GLN A 60 13.433 4.553 2.367 1.00 0.00 C ATOM 421 CG GLN A 60 14.248 3.328 1.986 1.00 0.00 C ATOM 422 CD GLN A 60 15.458 3.664 1.141 1.00 0.00 C ATOM 423 OE1 GLN A 60 15.445 4.616 0.366 1.00 0.00 O ATOM 424 NE2 GLN A 60 16.516 2.889 1.291 1.00 0.00 N ATOM 0 H GLN A 60 11.167 2.452 2.782 1.00 0.00 H new ATOM 0 HA GLN A 60 12.565 3.617 4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.103 5.061 1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.068 5.252 2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.575 2.819 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.613 2.631 1.440 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.487 2.107 1.946 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.363 3.072 0.752 1.00 0.00 H new ATOM 433 N CYS A 61 10.257 5.326 4.012 1.00 0.00 N ATOM 434 CA CYS A 61 9.436 6.419 4.501 1.00 0.00 C ATOM 435 C CYS A 61 9.032 6.172 5.946 1.00 0.00 C ATOM 436 O CYS A 61 8.906 5.026 6.373 1.00 0.00 O ATOM 437 CB CYS A 61 8.191 6.573 3.624 1.00 0.00 C ATOM 438 SG CYS A 61 8.554 6.868 1.877 1.00 0.00 S ATOM 0 H CYS A 61 9.747 4.453 3.874 1.00 0.00 H new ATOM 0 HA CYS A 61 10.017 7.340 4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.584 5.672 3.711 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.591 7.400 4.005 1.00 0.00 H new ATOM 0 HG CYS A 61 9.623 6.210 1.539 1.00 0.00 H new ATOM 444 N SER A 62 8.856 7.246 6.700 1.00 0.00 N ATOM 445 CA SER A 62 8.363 7.145 8.062 1.00 0.00 C ATOM 446 C SER A 62 6.862 6.888 8.040 1.00 0.00 C ATOM 447 O SER A 62 6.074 7.828 8.042 1.00 0.00 O ATOM 448 CB SER A 62 8.668 8.434 8.823 1.00 0.00 C ATOM 449 OG SER A 62 10.044 8.756 8.738 1.00 0.00 O ATOM 0 H SER A 62 9.048 8.199 6.390 1.00 0.00 H new ATOM 0 HA SER A 62 8.860 6.317 8.567 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.073 9.251 8.415 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.381 8.321 9.868 1.00 0.00 H new ATOM 0 HG SER A 62 10.217 9.585 9.231 1.00 0.00 H new ATOM 455 N LEU A 63 6.483 5.610 8.051 1.00 0.00 N ATOM 456 CA LEU A 63 5.083 5.202 7.863 1.00 0.00 C ATOM 457 C LEU A 63 4.183 5.676 9.004 1.00 0.00 C ATOM 458 O LEU A 63 2.987 5.421 8.988 1.00 0.00 O ATOM 459 CB LEU A 63 4.948 3.676 7.747 1.00 0.00 C ATOM 460 CG LEU A 63 5.423 3.018 6.445 1.00 0.00 C ATOM 461 CD1 LEU A 63 5.120 3.875 5.231 1.00 0.00 C ATOM 462 CD2 LEU A 63 6.892 2.693 6.522 1.00 0.00 C ATOM 0 H LEU A 63 7.128 4.832 8.189 1.00 0.00 H new ATOM 0 HA LEU A 63 4.763 5.674 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.501 3.226 8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.898 3.420 7.889 1.00 0.00 H new ATOM 0 HG LEU A 63 4.867 2.088 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.474 3.370 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.044 4.035 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.624 4.836 5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.211 2.227 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.460 3.610 6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.070 2.007 7.350 1.00 0.00 H new ATOM 474 N ASP A 64 4.765 6.370 9.976 1.00 0.00 N ATOM 475 CA ASP A 64 4.070 6.764 11.201 1.00 0.00 C ATOM 476 C ASP A 64 2.782 7.534 10.921 1.00 0.00 C ATOM 477 O ASP A 64 1.692 7.064 11.249 1.00 0.00 O ATOM 478 CB ASP A 64 4.994 7.622 12.067 1.00 0.00 C ATOM 479 CG ASP A 64 6.325 6.948 12.330 1.00 0.00 C ATOM 480 OD1 ASP A 64 7.217 7.031 11.459 1.00 0.00 O ATOM 481 OD2 ASP A 64 6.482 6.329 13.399 1.00 0.00 O ATOM 0 H ASP A 64 5.737 6.678 9.938 1.00 0.00 H new ATOM 0 HA ASP A 64 3.799 5.847 11.725 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.165 8.579 11.574 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.503 7.836 13.017 1.00 0.00 H new ATOM 486 N ALA A 65 2.911 8.724 10.339 1.00 0.00 N ATOM 487 CA ALA A 65 1.762 9.595 10.099 1.00 0.00 C ATOM 488 C ALA A 65 0.741 8.987 9.141 1.00 0.00 C ATOM 489 O ALA A 65 -0.466 9.115 9.357 1.00 0.00 O ATOM 490 CB ALA A 65 2.229 10.939 9.566 1.00 0.00 C ATOM 0 H ALA A 65 3.802 9.108 10.024 1.00 0.00 H new ATOM 0 HA ALA A 65 1.262 9.724 11.059 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.366 11.581 9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.889 11.410 10.295 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.768 10.792 8.630 1.00 0.00 H new ATOM 496 N HIS A 66 1.211 8.328 8.092 1.00 0.00 N ATOM 497 CA HIS A 66 0.305 7.780 7.091 1.00 0.00 C ATOM 498 C HIS A 66 -0.432 6.525 7.516 1.00 0.00 C ATOM 499 O HIS A 66 0.148 5.518 7.920 1.00 0.00 O ATOM 500 CB HIS A 66 0.926 7.638 5.692 1.00 0.00 C ATOM 501 CG HIS A 66 2.401 7.447 5.594 1.00 0.00 C ATOM 502 ND1 HIS A 66 3.274 8.336 6.165 1.00 0.00 N ATOM 503 CD2 HIS A 66 3.092 6.566 4.851 1.00 0.00 C ATOM 504 CE1 HIS A 66 4.469 7.983 5.748 1.00 0.00 C ATOM 505 NE2 HIS A 66 4.413 6.915 4.948 1.00 0.00 N ATOM 0 H HIS A 66 2.201 8.161 7.912 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.461 8.552 7.010 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.447 6.792 5.199 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.667 8.529 5.120 1.00 0.00 H new ATOM 0 HD1 HIS A 66 3.044 9.112 6.786 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.684 5.741 4.286 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.382 8.493 6.018 1.00 0.00 H new ATOM 513 N GLU A 67 -1.746 6.636 7.381 1.00 0.00 N ATOM 514 CA GLU A 67 -2.690 5.601 7.752 1.00 0.00 C ATOM 515 C GLU A 67 -2.827 4.604 6.614 1.00 0.00 C ATOM 516 O GLU A 67 -2.520 4.920 5.467 1.00 0.00 O ATOM 517 CB GLU A 67 -4.049 6.244 8.061 1.00 0.00 C ATOM 518 CG GLU A 67 -4.631 7.037 6.892 1.00 0.00 C ATOM 519 CD GLU A 67 -5.832 7.879 7.278 1.00 0.00 C ATOM 520 OE1 GLU A 67 -5.640 8.991 7.816 1.00 0.00 O ATOM 521 OE2 GLU A 67 -6.977 7.442 7.039 1.00 0.00 O ATOM 0 H GLU A 67 -2.192 7.471 7.001 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.333 5.076 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.754 5.463 8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.941 6.906 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.858 7.686 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.920 6.345 6.101 1.00 0.00 H new ATOM 528 N ILE A 68 -3.283 3.403 6.918 1.00 0.00 N ATOM 529 CA ILE A 68 -3.428 2.387 5.892 1.00 0.00 C ATOM 530 C ILE A 68 -4.829 2.449 5.288 1.00 0.00 C ATOM 531 O ILE A 68 -5.793 2.805 5.969 1.00 0.00 O ATOM 532 CB ILE A 68 -3.165 0.963 6.416 1.00 0.00 C ATOM 533 CG1 ILE A 68 -2.307 0.973 7.687 1.00 0.00 C ATOM 534 CG2 ILE A 68 -2.476 0.152 5.331 1.00 0.00 C ATOM 535 CD1 ILE A 68 -0.856 1.337 7.461 1.00 0.00 C ATOM 0 H ILE A 68 -3.557 3.109 7.856 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.675 2.601 5.133 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.123 0.511 6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.739 1.679 8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.353 -0.013 8.149 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.287 -0.858 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.116 0.105 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.530 0.626 5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.324 1.319 8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.403 0.618 6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.794 2.336 7.029 1.00 0.00 H new ATOM 547 N CYS A 69 -4.937 2.092 4.015 1.00 0.00 N ATOM 548 CA CYS A 69 -6.162 2.253 3.257 1.00 0.00 C ATOM 549 C CYS A 69 -6.217 1.237 2.130 1.00 0.00 C ATOM 550 O CYS A 69 -5.246 0.526 1.878 1.00 0.00 O ATOM 551 CB CYS A 69 -6.247 3.666 2.678 1.00 0.00 C ATOM 552 SG CYS A 69 -6.435 4.952 3.925 1.00 0.00 S ATOM 0 H CYS A 69 -4.172 1.681 3.480 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.006 2.092 3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.347 3.865 2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.089 3.716 1.988 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.377 4.420 5.110 1.00 0.00 H new ATOM 558 N LEU A 70 -7.357 1.151 1.472 1.00 0.00 N ATOM 559 CA LEU A 70 -7.528 0.233 0.370 1.00 0.00 C ATOM 560 C LEU A 70 -8.435 0.841 -0.675 1.00 0.00 C ATOM 561 O LEU A 70 -9.614 1.049 -0.419 1.00 0.00 O ATOM 562 CB LEU A 70 -8.133 -1.058 0.883 1.00 0.00 C ATOM 563 CG LEU A 70 -7.837 -2.270 0.031 1.00 0.00 C ATOM 564 CD1 LEU A 70 -7.820 -3.502 0.905 1.00 0.00 C ATOM 565 CD2 LEU A 70 -8.861 -2.424 -1.083 1.00 0.00 C ATOM 0 H LEU A 70 -8.182 1.711 1.686 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.557 0.028 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.765 -1.241 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.214 -0.935 0.955 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.861 -2.140 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.607 -4.379 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.049 -3.396 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.792 -3.622 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.621 -3.305 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.855 -2.538 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.842 -1.539 -1.720 1.00 0.00 H new ATOM 577 N GLN A 71 -7.880 1.122 -1.848 1.00 0.00 N ATOM 578 CA GLN A 71 -8.619 1.810 -2.899 1.00 0.00 C ATOM 579 C GLN A 71 -9.259 3.070 -2.330 1.00 0.00 C ATOM 580 O GLN A 71 -10.391 3.426 -2.665 1.00 0.00 O ATOM 581 CB GLN A 71 -9.658 0.872 -3.523 1.00 0.00 C ATOM 582 CG GLN A 71 -9.031 -0.177 -4.431 1.00 0.00 C ATOM 583 CD GLN A 71 -9.707 -1.529 -4.339 1.00 0.00 C ATOM 584 OE1 GLN A 71 -10.901 -1.630 -4.070 1.00 0.00 O ATOM 585 NE2 GLN A 71 -8.940 -2.582 -4.575 1.00 0.00 N ATOM 0 H GLN A 71 -6.920 0.884 -2.095 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.935 2.107 -3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.215 0.374 -2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.375 1.460 -4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.073 0.173 -5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.977 -0.287 -4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.952 -2.454 -4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.337 -3.521 -4.537 1.00 0.00 H new ATOM 594 N ASP A 72 -8.503 3.696 -1.416 1.00 0.00 N ATOM 595 CA ASP A 72 -8.860 4.964 -0.770 1.00 0.00 C ATOM 596 C ASP A 72 -9.671 4.741 0.506 1.00 0.00 C ATOM 597 O ASP A 72 -9.696 5.608 1.381 1.00 0.00 O ATOM 598 CB ASP A 72 -9.571 5.930 -1.736 1.00 0.00 C ATOM 599 CG ASP A 72 -10.256 7.083 -1.028 1.00 0.00 C ATOM 600 OD1 ASP A 72 -9.549 7.947 -0.474 1.00 0.00 O ATOM 601 OD2 ASP A 72 -11.505 7.118 -1.018 1.00 0.00 O ATOM 0 H ASP A 72 -7.607 3.325 -1.100 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.925 5.442 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.844 6.327 -2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.310 5.376 -2.315 1.00 0.00 H new ATOM 606 N ILE A 73 -10.290 3.572 0.654 1.00 0.00 N ATOM 607 CA ILE A 73 -11.009 3.248 1.884 1.00 0.00 C ATOM 608 C ILE A 73 -10.017 3.100 3.020 1.00 0.00 C ATOM 609 O ILE A 73 -9.185 2.201 2.993 1.00 0.00 O ATOM 610 CB ILE A 73 -11.764 1.908 1.794 1.00 0.00 C ATOM 611 CG1 ILE A 73 -12.460 1.732 0.450 1.00 0.00 C ATOM 612 CG2 ILE A 73 -12.776 1.800 2.928 1.00 0.00 C ATOM 613 CD1 ILE A 73 -12.796 0.284 0.173 1.00 0.00 C ATOM 0 H ILE A 73 -10.309 2.839 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.721 4.057 2.047 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.027 1.110 1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.374 2.326 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.818 2.114 -0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.304 0.849 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.257 1.854 3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.492 2.619 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -13.291 0.204 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.880 -0.306 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.460 -0.091 0.952 1.00 0.00 H new ATOM 625 N GLN A 74 -10.088 3.967 4.006 1.00 0.00 N ATOM 626 CA GLN A 74 -9.208 3.843 5.156 1.00 0.00 C ATOM 627 C GLN A 74 -9.513 2.550 5.917 1.00 0.00 C ATOM 628 O GLN A 74 -10.671 2.153 6.058 1.00 0.00 O ATOM 629 CB GLN A 74 -9.294 5.067 6.080 1.00 0.00 C ATOM 630 CG GLN A 74 -10.580 5.868 5.948 1.00 0.00 C ATOM 631 CD GLN A 74 -10.475 7.004 4.937 1.00 0.00 C ATOM 632 OE1 GLN A 74 -9.600 6.871 3.942 1.00 0.00 O flip ATOM 633 NE2 GLN A 74 -11.159 8.019 5.063 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.734 4.756 4.040 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.182 3.798 4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.193 4.734 7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.449 5.723 5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.389 5.200 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.847 6.279 6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.822 8.095 5.835 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.063 8.785 4.396 1.00 0.00 H new ATOM 642 N LEU A 75 -8.458 1.907 6.385 1.00 0.00 N ATOM 643 CA LEU A 75 -8.545 0.590 7.016 1.00 0.00 C ATOM 644 C LEU A 75 -8.105 0.692 8.470 1.00 0.00 C ATOM 645 O LEU A 75 -7.668 1.757 8.910 1.00 0.00 O ATOM 646 CB LEU A 75 -7.658 -0.407 6.256 1.00 0.00 C ATOM 647 CG LEU A 75 -8.143 -0.775 4.848 1.00 0.00 C ATOM 648 CD1 LEU A 75 -7.008 -1.314 3.997 1.00 0.00 C ATOM 649 CD2 LEU A 75 -9.240 -1.815 4.924 1.00 0.00 C ATOM 0 H LEU A 75 -7.510 2.280 6.341 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.575 0.236 6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.654 0.011 6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.579 -1.320 6.845 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.528 0.134 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.384 -1.565 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.229 -0.557 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.595 -2.207 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.574 -2.066 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.859 -2.711 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.079 -1.418 5.496 1.00 0.00 H new ATOM 661 N ASP A 76 -8.193 -0.405 9.214 1.00 0.00 N ATOM 662 CA ASP A 76 -7.795 -0.405 10.605 1.00 0.00 C ATOM 663 C ASP A 76 -6.671 -1.401 10.810 1.00 0.00 C ATOM 664 O ASP A 76 -6.861 -2.609 10.677 1.00 0.00 O ATOM 665 CB ASP A 76 -8.965 -0.735 11.536 1.00 0.00 C ATOM 666 CG ASP A 76 -9.722 0.501 11.979 1.00 0.00 C ATOM 667 OD1 ASP A 76 -9.101 1.389 12.599 1.00 0.00 O ATOM 668 OD2 ASP A 76 -10.940 0.585 11.726 1.00 0.00 O ATOM 0 H ASP A 76 -8.537 -1.302 8.872 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.453 0.599 10.856 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.650 -1.413 11.027 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.589 -1.261 12.414 1.00 0.00 H new ATOM 673 N PRO A 77 -5.475 -0.885 11.103 1.00 0.00 N ATOM 674 CA PRO A 77 -4.279 -1.682 11.408 1.00 0.00 C ATOM 675 C PRO A 77 -4.524 -2.696 12.519 1.00 0.00 C ATOM 676 O PRO A 77 -3.818 -3.698 12.633 1.00 0.00 O ATOM 677 CB PRO A 77 -3.248 -0.636 11.865 1.00 0.00 C ATOM 678 CG PRO A 77 -4.015 0.632 12.057 1.00 0.00 C ATOM 679 CD PRO A 77 -5.191 0.546 11.134 1.00 0.00 C ATOM 0 HA PRO A 77 -3.959 -2.268 10.547 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.762 -0.944 12.791 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.462 -0.509 11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.338 0.739 13.092 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.399 1.500 11.824 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.040 1.119 11.507 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.956 0.933 10.143 1.00 0.00 H new ATOM 687 N ASP A 78 -5.545 -2.430 13.318 1.00 0.00 N ATOM 688 CA ASP A 78 -5.917 -3.286 14.436 1.00 0.00 C ATOM 689 C ASP A 78 -6.709 -4.496 13.958 1.00 0.00 C ATOM 690 O ASP A 78 -7.032 -5.391 14.739 1.00 0.00 O ATOM 691 CB ASP A 78 -6.761 -2.486 15.423 1.00 0.00 C ATOM 692 CG ASP A 78 -5.970 -1.384 16.099 1.00 0.00 C ATOM 693 OD1 ASP A 78 -5.033 -1.699 16.866 1.00 0.00 O ATOM 694 OD2 ASP A 78 -6.279 -0.197 15.869 1.00 0.00 O ATOM 0 H ASP A 78 -6.143 -1.611 13.210 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.006 -3.640 14.920 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.612 -2.050 14.899 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.163 -3.158 16.181 1.00 0.00 H new ATOM 699 N ARG A 79 -7.018 -4.518 12.671 1.00 0.00 N ATOM 700 CA ARG A 79 -7.882 -5.539 12.098 1.00 0.00 C ATOM 701 C ARG A 79 -7.285 -6.058 10.796 1.00 0.00 C ATOM 702 O ARG A 79 -6.416 -5.413 10.204 1.00 0.00 O ATOM 703 CB ARG A 79 -9.274 -4.947 11.861 1.00 0.00 C ATOM 704 CG ARG A 79 -9.928 -4.448 13.140 1.00 0.00 C ATOM 705 CD ARG A 79 -11.199 -3.665 12.873 1.00 0.00 C ATOM 706 NE ARG A 79 -11.650 -2.955 14.067 1.00 0.00 N ATOM 707 CZ ARG A 79 -12.541 -1.966 14.055 1.00 0.00 C ATOM 708 NH1 ARG A 79 -13.132 -1.609 12.923 1.00 0.00 N ATOM 709 NH2 ARG A 79 -12.856 -1.338 15.181 1.00 0.00 N ATOM 0 H ARG A 79 -6.679 -3.832 11.997 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.968 -6.378 12.789 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.197 -4.123 11.152 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.912 -5.703 11.403 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.157 -5.298 13.783 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.224 -3.818 13.683 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.026 -2.951 12.068 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.982 -4.344 12.534 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.258 -3.234 14.966 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.905 -2.093 12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.814 -0.850 12.921 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.415 -1.613 16.059 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.539 -0.581 15.169 1.00 0.00 H new ATOM 723 N SER A 80 -7.728 -7.228 10.365 1.00 0.00 N ATOM 724 CA SER A 80 -7.175 -7.885 9.192 1.00 0.00 C ATOM 725 C SER A 80 -8.025 -7.672 7.939 1.00 0.00 C ATOM 726 O SER A 80 -9.066 -7.037 8.007 1.00 0.00 O ATOM 727 CB SER A 80 -7.094 -9.366 9.502 1.00 0.00 C ATOM 728 OG SER A 80 -8.329 -9.835 10.018 1.00 0.00 O ATOM 0 H SER A 80 -8.480 -7.748 10.818 1.00 0.00 H new ATOM 0 HA SER A 80 -6.196 -7.457 8.979 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.837 -9.919 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.299 -9.549 10.224 1.00 0.00 H new ATOM 0 HG SER A 80 -8.260 -10.793 10.211 1.00 0.00 H new ATOM 734 N LEU A 81 -7.558 -8.181 6.792 1.00 0.00 N ATOM 735 CA LEU A 81 -8.384 -8.228 5.577 1.00 0.00 C ATOM 736 C LEU A 81 -9.678 -8.985 5.846 1.00 0.00 C ATOM 737 O LEU A 81 -10.739 -8.626 5.341 1.00 0.00 O ATOM 738 CB LEU A 81 -7.643 -8.897 4.411 1.00 0.00 C ATOM 739 CG LEU A 81 -6.820 -7.984 3.489 1.00 0.00 C ATOM 740 CD1 LEU A 81 -5.728 -7.254 4.245 1.00 0.00 C ATOM 741 CD2 LEU A 81 -6.215 -8.800 2.354 1.00 0.00 C ATOM 0 H LEU A 81 -6.619 -8.564 6.679 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.607 -7.198 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.974 -9.652 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.377 -9.422 3.800 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.495 -7.233 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.170 -6.620 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.175 -6.638 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.052 -7.979 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.633 -8.145 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.566 -9.572 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.013 -9.267 1.777 1.00 0.00 H new ATOM 753 N PHE A 82 -9.576 -10.034 6.652 1.00 0.00 N ATOM 754 CA PHE A 82 -10.750 -10.775 7.106 1.00 0.00 C ATOM 755 C PHE A 82 -11.711 -9.871 7.893 1.00 0.00 C ATOM 756 O PHE A 82 -12.881 -10.196 8.072 1.00 0.00 O ATOM 757 CB PHE A 82 -10.340 -11.956 7.991 1.00 0.00 C ATOM 758 CG PHE A 82 -10.101 -13.254 7.266 1.00 0.00 C ATOM 759 CD1 PHE A 82 -10.468 -13.419 5.942 1.00 0.00 C ATOM 760 CD2 PHE A 82 -9.535 -14.327 7.936 1.00 0.00 C ATOM 761 CE1 PHE A 82 -10.275 -14.628 5.300 1.00 0.00 C ATOM 762 CE2 PHE A 82 -9.336 -15.534 7.299 1.00 0.00 C ATOM 763 CZ PHE A 82 -9.707 -15.687 5.980 1.00 0.00 C ATOM 0 H PHE A 82 -8.690 -10.393 7.007 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.259 -11.146 6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.431 -11.687 8.528 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -11.117 -12.115 8.739 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.910 -12.594 5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.246 -14.217 8.971 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.568 -14.744 4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -8.889 -16.359 7.834 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.554 -16.632 5.480 1.00 0.00 H new ATOM 773 N ASP A 83 -11.203 -8.761 8.399 1.00 0.00 N ATOM 774 CA ASP A 83 -12.051 -7.795 9.088 1.00 0.00 C ATOM 775 C ASP A 83 -12.308 -6.583 8.201 1.00 0.00 C ATOM 776 O ASP A 83 -13.227 -5.801 8.441 1.00 0.00 O ATOM 777 CB ASP A 83 -11.411 -7.356 10.402 1.00 0.00 C ATOM 778 CG ASP A 83 -12.441 -6.955 11.439 1.00 0.00 C ATOM 779 OD1 ASP A 83 -12.979 -5.833 11.365 1.00 0.00 O ATOM 780 OD2 ASP A 83 -12.719 -7.772 12.343 1.00 0.00 O ATOM 0 H ASP A 83 -10.217 -8.504 8.349 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.003 -8.277 9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.800 -8.169 10.795 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.742 -6.516 10.215 1.00 0.00 H new ATOM 785 N GLN A 84 -11.510 -6.461 7.154 1.00 0.00 N ATOM 786 CA GLN A 84 -11.573 -5.321 6.258 1.00 0.00 C ATOM 787 C GLN A 84 -11.488 -5.766 4.802 1.00 0.00 C ATOM 788 O GLN A 84 -10.416 -5.733 4.197 1.00 0.00 O ATOM 789 CB GLN A 84 -10.428 -4.344 6.539 1.00 0.00 C ATOM 790 CG GLN A 84 -10.731 -3.256 7.566 1.00 0.00 C ATOM 791 CD GLN A 84 -10.060 -3.482 8.894 1.00 0.00 C ATOM 792 OE1 GLN A 84 -10.573 -3.078 9.931 1.00 0.00 O ATOM 793 NE2 GLN A 84 -8.895 -4.110 8.873 1.00 0.00 N ATOM 0 H GLN A 84 -10.801 -7.149 6.902 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.528 -4.826 6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.564 -4.913 6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -10.143 -3.866 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.414 -2.292 7.167 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.809 -3.200 7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.504 -4.430 7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.388 -4.274 9.743 1.00 0.00 H new ATOM 802 N GLY A 85 -12.605 -6.200 4.246 1.00 0.00 N ATOM 803 CA GLY A 85 -12.641 -6.456 2.827 1.00 0.00 C ATOM 804 C GLY A 85 -12.827 -7.911 2.448 1.00 0.00 C ATOM 805 O GLY A 85 -13.950 -8.417 2.433 1.00 0.00 O ATOM 0 H GLY A 85 -13.477 -6.378 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.451 -5.874 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.713 -6.095 2.383 1.00 0.00 H new ATOM 809 N VAL A 86 -11.723 -8.589 2.158 1.00 0.00 N ATOM 810 CA VAL A 86 -11.774 -9.872 1.469 1.00 0.00 C ATOM 811 C VAL A 86 -11.810 -11.051 2.421 1.00 0.00 C ATOM 812 O VAL A 86 -11.331 -10.969 3.552 1.00 0.00 O ATOM 813 CB VAL A 86 -10.562 -10.062 0.536 1.00 0.00 C ATOM 814 CG1 VAL A 86 -10.521 -8.975 -0.525 1.00 0.00 C ATOM 815 CG2 VAL A 86 -9.255 -10.105 1.323 1.00 0.00 C ATOM 0 H VAL A 86 -10.782 -8.271 2.389 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.700 -9.848 0.894 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.677 -11.023 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.657 -9.130 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.432 -9.014 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.444 -8.000 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.420 -10.240 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.128 -9.170 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.282 -10.936 2.028 1.00 0.00 H new ATOM 825 N LYS A 87 -12.365 -12.158 1.945 1.00 0.00 N ATOM 826 CA LYS A 87 -12.336 -13.403 2.693 1.00 0.00 C ATOM 827 C LYS A 87 -11.782 -14.514 1.822 1.00 0.00 C ATOM 828 O LYS A 87 -12.521 -15.358 1.319 1.00 0.00 O ATOM 829 CB LYS A 87 -13.727 -13.788 3.191 1.00 0.00 C ATOM 830 CG LYS A 87 -14.429 -12.675 3.937 1.00 0.00 C ATOM 831 CD LYS A 87 -13.679 -12.247 5.193 1.00 0.00 C ATOM 832 CE LYS A 87 -14.195 -10.899 5.651 1.00 0.00 C ATOM 833 NZ LYS A 87 -15.504 -11.018 6.348 1.00 0.00 N ATOM 0 H LYS A 87 -12.840 -12.217 1.044 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.693 -13.258 3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.339 -14.087 2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.643 -14.656 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.544 -11.816 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.432 -13.002 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.814 -12.988 5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.610 -12.190 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.467 -10.439 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.300 -10.238 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.825 -10.075 6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.205 -11.434 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.398 -11.628 7.183 1.00 0.00 H new ATOM 847 N THR A 88 -10.482 -14.485 1.630 1.00 0.00 N ATOM 848 CA THR A 88 -9.790 -15.560 0.961 1.00 0.00 C ATOM 849 C THR A 88 -9.010 -16.347 2.020 1.00 0.00 C ATOM 850 O THR A 88 -9.623 -16.839 2.968 1.00 0.00 O ATOM 851 CB THR A 88 -8.892 -15.018 -0.186 1.00 0.00 C ATOM 852 OG1 THR A 88 -8.143 -16.073 -0.793 1.00 0.00 O ATOM 853 CG2 THR A 88 -7.951 -13.916 0.295 1.00 0.00 C ATOM 0 H THR A 88 -9.879 -13.720 1.932 1.00 0.00 H new ATOM 0 HA THR A 88 -10.496 -16.235 0.477 1.00 0.00 H new ATOM 0 HB THR A 88 -9.559 -14.585 -0.931 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.719 -16.569 -1.412 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.343 -13.567 -0.539 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.536 -13.085 0.690 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.302 -14.308 1.078 1.00 0.00 H new ATOM 861 N ASP A 89 -7.690 -16.443 1.907 1.00 0.00 N ATOM 862 CA ASP A 89 -6.901 -17.062 2.964 1.00 0.00 C ATOM 863 C ASP A 89 -5.411 -16.906 2.732 1.00 0.00 C ATOM 864 O ASP A 89 -4.906 -17.162 1.640 1.00 0.00 O ATOM 865 CB ASP A 89 -7.222 -18.549 3.125 1.00 0.00 C ATOM 866 CG ASP A 89 -6.360 -19.183 4.194 1.00 0.00 C ATOM 867 OD1 ASP A 89 -6.252 -18.601 5.294 1.00 0.00 O ATOM 868 OD2 ASP A 89 -5.777 -20.259 3.938 1.00 0.00 O ATOM 0 H ASP A 89 -7.152 -16.106 1.109 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.175 -16.536 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.274 -18.671 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.065 -19.062 2.176 1.00 0.00 H new ATOM 873 N GLY A 90 -4.723 -16.461 3.766 1.00 0.00 N ATOM 874 CA GLY A 90 -3.283 -16.489 3.759 1.00 0.00 C ATOM 875 C GLY A 90 -2.684 -15.139 3.486 1.00 0.00 C ATOM 876 O GLY A 90 -3.036 -14.150 4.130 1.00 0.00 O ATOM 0 H GLY A 90 -5.140 -16.079 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.925 -16.854 4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.940 -17.195 3.003 1.00 0.00 H new ATOM 880 N THR A 91 -1.780 -15.104 2.533 1.00 0.00 N ATOM 881 CA THR A 91 -1.078 -13.891 2.183 1.00 0.00 C ATOM 882 C THR A 91 -1.515 -13.380 0.808 1.00 0.00 C ATOM 883 O THR A 91 -1.491 -14.118 -0.176 1.00 0.00 O ATOM 884 CB THR A 91 0.439 -14.152 2.192 1.00 0.00 C ATOM 885 OG1 THR A 91 0.862 -14.551 3.507 1.00 0.00 O ATOM 886 CG2 THR A 91 1.221 -12.925 1.759 1.00 0.00 C ATOM 0 H THR A 91 -1.511 -15.917 1.979 1.00 0.00 H new ATOM 0 HA THR A 91 -1.321 -13.125 2.920 1.00 0.00 H new ATOM 0 HB THR A 91 0.640 -14.952 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.828 -14.717 3.504 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.288 -13.148 1.778 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.927 -12.644 0.748 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.011 -12.100 2.440 1.00 0.00 H new ATOM 894 N VAL A 92 -1.943 -12.124 0.746 1.00 0.00 N ATOM 895 CA VAL A 92 -2.243 -11.493 -0.534 1.00 0.00 C ATOM 896 C VAL A 92 -1.143 -10.513 -0.893 1.00 0.00 C ATOM 897 O VAL A 92 -0.403 -10.054 -0.023 1.00 0.00 O ATOM 898 CB VAL A 92 -3.596 -10.756 -0.547 1.00 0.00 C ATOM 899 CG1 VAL A 92 -4.726 -11.714 -0.235 1.00 0.00 C ATOM 900 CG2 VAL A 92 -3.596 -9.577 0.408 1.00 0.00 C ATOM 0 H VAL A 92 -2.089 -11.527 1.560 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.305 -12.296 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.753 -10.359 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.674 -11.176 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.748 -12.507 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.571 -12.151 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.566 -9.080 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.405 -9.930 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.817 -8.873 0.116 1.00 0.00 H new ATOM 910 N GLN A 93 -1.044 -10.195 -2.168 1.00 0.00 N ATOM 911 CA GLN A 93 -0.050 -9.259 -2.640 1.00 0.00 C ATOM 912 C GLN A 93 -0.716 -7.899 -2.791 1.00 0.00 C ATOM 913 O GLN A 93 -1.629 -7.731 -3.596 1.00 0.00 O ATOM 914 CB GLN A 93 0.548 -9.754 -3.966 1.00 0.00 C ATOM 915 CG GLN A 93 1.915 -9.173 -4.314 1.00 0.00 C ATOM 916 CD GLN A 93 1.850 -7.758 -4.858 1.00 0.00 C ATOM 917 OE1 GLN A 93 1.716 -7.548 -6.062 1.00 0.00 O ATOM 918 NE2 GLN A 93 1.975 -6.782 -3.979 1.00 0.00 N ATOM 0 H GLN A 93 -1.646 -10.575 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 93 0.773 -9.174 -1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.631 -10.840 -3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.147 -9.516 -4.772 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.543 -9.183 -3.423 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.397 -9.815 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.084 -6.999 -2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.962 -5.811 -4.290 1.00 0.00 H new ATOM 927 N LEU A 94 -0.264 -6.950 -1.992 1.00 0.00 N ATOM 928 CA LEU A 94 -0.887 -5.637 -1.927 1.00 0.00 C ATOM 929 C LEU A 94 -0.163 -4.650 -2.822 1.00 0.00 C ATOM 930 O LEU A 94 1.019 -4.366 -2.614 1.00 0.00 O ATOM 931 CB LEU A 94 -0.886 -5.080 -0.495 1.00 0.00 C ATOM 932 CG LEU A 94 -1.684 -5.861 0.553 1.00 0.00 C ATOM 933 CD1 LEU A 94 -2.994 -6.375 -0.012 1.00 0.00 C ATOM 934 CD2 LEU A 94 -0.860 -6.995 1.143 1.00 0.00 C ATOM 0 H LEU A 94 0.539 -7.064 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.916 -5.763 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.148 -5.017 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.274 -4.062 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.924 -5.168 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.533 -6.924 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.600 -5.534 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.792 -7.037 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.455 -7.530 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.565 -7.682 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.031 -6.587 1.620 1.00 0.00 H new ATOM 946 N SER A 95 -0.853 -4.138 -3.825 1.00 0.00 N ATOM 947 CA SER A 95 -0.336 -2.997 -4.553 1.00 0.00 C ATOM 948 C SER A 95 -0.772 -1.729 -3.832 1.00 0.00 C ATOM 949 O SER A 95 -1.693 -1.030 -4.246 1.00 0.00 O ATOM 950 CB SER A 95 -0.816 -3.018 -6.005 1.00 0.00 C ATOM 951 OG SER A 95 -0.241 -4.110 -6.707 1.00 0.00 O ATOM 0 H SER A 95 -1.755 -4.487 -4.149 1.00 0.00 H new ATOM 0 HA SER A 95 0.753 -3.033 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.903 -3.093 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.548 -2.082 -6.496 1.00 0.00 H new ATOM 0 HG SER A 95 -0.939 -4.762 -6.926 1.00 0.00 H new ATOM 957 N VAL A 96 -0.106 -1.483 -2.718 1.00 0.00 N ATOM 958 CA VAL A 96 -0.419 -0.364 -1.845 1.00 0.00 C ATOM 959 C VAL A 96 0.405 0.883 -2.196 1.00 0.00 C ATOM 960 O VAL A 96 1.620 0.817 -2.402 1.00 0.00 O ATOM 961 CB VAL A 96 -0.247 -0.787 -0.363 1.00 0.00 C ATOM 962 CG1 VAL A 96 1.054 -1.554 -0.155 1.00 0.00 C ATOM 963 CG2 VAL A 96 -0.321 0.412 0.567 1.00 0.00 C ATOM 0 H VAL A 96 0.672 -2.057 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.462 -0.085 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.074 -1.453 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.146 -1.837 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.050 -2.451 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.897 -0.923 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.197 0.081 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.470 1.118 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.290 0.899 0.457 1.00 0.00 H new ATOM 973 N GLN A 97 -0.295 2.010 -2.304 1.00 0.00 N ATOM 974 CA GLN A 97 0.297 3.290 -2.677 1.00 0.00 C ATOM 975 C GLN A 97 0.404 4.219 -1.484 1.00 0.00 C ATOM 976 O GLN A 97 -0.397 4.144 -0.560 1.00 0.00 O ATOM 977 CB GLN A 97 -0.559 3.999 -3.718 1.00 0.00 C ATOM 978 CG GLN A 97 -0.541 3.379 -5.094 1.00 0.00 C ATOM 979 CD GLN A 97 -1.295 4.225 -6.098 1.00 0.00 C ATOM 980 OE1 GLN A 97 -2.277 4.977 -5.619 1.00 0.00 O flip ATOM 981 NE2 GLN A 97 -0.996 4.215 -7.290 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.299 2.059 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 97 1.288 3.068 -3.074 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.589 4.025 -3.362 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.223 5.033 -3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.490 3.255 -5.424 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.984 2.384 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.234 3.623 -7.620 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.510 4.799 -7.950 1.00 0.00 H new ATOM 990 N VAL A 98 1.389 5.095 -1.518 1.00 0.00 N ATOM 991 CA VAL A 98 1.467 6.180 -0.570 1.00 0.00 C ATOM 992 C VAL A 98 0.838 7.434 -1.198 1.00 0.00 C ATOM 993 O VAL A 98 1.284 7.930 -2.236 1.00 0.00 O ATOM 994 CB VAL A 98 2.931 6.419 -0.087 1.00 0.00 C ATOM 995 CG1 VAL A 98 3.874 5.366 -0.653 1.00 0.00 C ATOM 996 CG2 VAL A 98 3.443 7.813 -0.410 1.00 0.00 C ATOM 0 H VAL A 98 2.149 5.073 -2.198 1.00 0.00 H new ATOM 0 HA VAL A 98 0.903 5.922 0.327 1.00 0.00 H new ATOM 0 HB VAL A 98 2.909 6.331 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.887 5.557 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.555 4.377 -0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.855 5.408 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.466 7.918 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.421 7.968 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.809 8.555 0.076 1.00 0.00 H new ATOM 1006 N ILE A 99 -0.262 7.874 -0.609 1.00 0.00 N ATOM 1007 CA ILE A 99 -1.024 9.006 -1.125 1.00 0.00 C ATOM 1008 C ILE A 99 -0.904 10.223 -0.228 1.00 0.00 C ATOM 1009 O ILE A 99 -1.035 10.115 0.989 1.00 0.00 O ATOM 1010 CB ILE A 99 -2.534 8.688 -1.198 1.00 0.00 C ATOM 1011 CG1 ILE A 99 -2.830 7.505 -2.109 1.00 0.00 C ATOM 1012 CG2 ILE A 99 -3.310 9.909 -1.664 1.00 0.00 C ATOM 1013 CD1 ILE A 99 -4.309 7.177 -2.173 1.00 0.00 C ATOM 0 H ILE A 99 -0.653 7.460 0.237 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.610 9.203 -2.114 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.853 8.416 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.466 7.724 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.282 6.632 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.372 9.669 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.153 10.729 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.962 10.206 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.465 6.326 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.670 6.930 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.857 8.039 -2.554 1.00 0.00 H new ATOM 1025 N SER A 100 -0.677 11.380 -0.824 1.00 0.00 N ATOM 1026 CA SER A 100 -0.956 12.633 -0.154 1.00 0.00 C ATOM 1027 C SER A 100 -1.423 13.662 -1.190 1.00 0.00 C ATOM 1028 O SER A 100 -0.629 14.412 -1.758 1.00 0.00 O ATOM 1029 CB SER A 100 0.280 13.107 0.626 1.00 0.00 C ATOM 1030 OG SER A 100 1.415 13.219 -0.220 1.00 0.00 O ATOM 0 H SER A 100 -0.301 11.476 -1.768 1.00 0.00 H new ATOM 0 HA SER A 100 -1.756 12.501 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.072 14.072 1.088 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.494 12.406 1.433 1.00 0.00 H new ATOM 0 HG SER A 100 1.154 13.646 -1.063 1.00 0.00 H new ATOM 1113 N PRO A 106 -1.652 11.667 4.525 1.00 0.00 N ATOM 1114 CA PRO A 106 -0.990 10.548 3.875 1.00 0.00 C ATOM 1115 C PRO A 106 -1.677 9.214 4.159 1.00 0.00 C ATOM 1116 O PRO A 106 -1.817 8.791 5.305 1.00 0.00 O ATOM 1117 CB PRO A 106 0.436 10.578 4.445 1.00 0.00 C ATOM 1118 CG PRO A 106 0.432 11.625 5.511 1.00 0.00 C ATOM 1119 CD PRO A 106 -0.684 12.557 5.169 1.00 0.00 C ATOM 0 HA PRO A 106 -1.015 10.639 2.789 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.713 9.606 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.162 10.816 3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.281 11.180 6.494 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.385 12.153 5.543 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.100 13.035 6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.357 13.354 4.501 1.00 0.00 H new ATOM 1127 N LYS A 107 -2.145 8.600 3.091 1.00 0.00 N ATOM 1128 CA LYS A 107 -2.772 7.281 3.140 1.00 0.00 C ATOM 1129 C LYS A 107 -1.953 6.252 2.378 1.00 0.00 C ATOM 1130 O LYS A 107 -1.419 6.549 1.317 1.00 0.00 O ATOM 1131 CB LYS A 107 -4.159 7.326 2.507 1.00 0.00 C ATOM 1132 CG LYS A 107 -5.229 7.977 3.359 1.00 0.00 C ATOM 1133 CD LYS A 107 -6.550 8.010 2.614 1.00 0.00 C ATOM 1134 CE LYS A 107 -6.481 8.926 1.406 1.00 0.00 C ATOM 1135 NZ LYS A 107 -7.833 9.288 0.900 1.00 0.00 N ATOM 0 H LYS A 107 -2.104 9.000 2.154 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.837 6.999 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.093 7.862 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.470 6.307 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.344 7.427 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.927 8.991 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.814 7.002 2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.340 8.349 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.938 9.834 1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.916 8.437 0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.776 10.177 0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.186 8.531 0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.483 9.410 1.703 1.00 0.00 H new ATOM 1149 N LEU A 108 -1.862 5.045 2.911 1.00 0.00 N ATOM 1150 CA LEU A 108 -1.325 3.926 2.151 1.00 0.00 C ATOM 1151 C LEU A 108 -2.482 3.071 1.659 1.00 0.00 C ATOM 1152 O LEU A 108 -2.982 2.239 2.404 1.00 0.00 O ATOM 1153 CB LEU A 108 -0.397 3.045 3.011 1.00 0.00 C ATOM 1154 CG LEU A 108 0.993 3.601 3.357 1.00 0.00 C ATOM 1155 CD1 LEU A 108 1.268 4.904 2.627 1.00 0.00 C ATOM 1156 CD2 LEU A 108 1.136 3.768 4.868 1.00 0.00 C ATOM 0 H LEU A 108 -2.151 4.814 3.862 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.745 4.327 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.913 2.826 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.260 2.096 2.493 1.00 0.00 H new ATOM 0 HG LEU A 108 1.740 2.883 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.259 5.269 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.222 4.735 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.520 5.645 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.126 4.163 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.376 4.460 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.009 2.801 5.355 1.00 0.00 H new ATOM 1168 N ASN A 109 -2.878 3.219 0.402 1.00 0.00 N ATOM 1169 CA ASN A 109 -4.019 2.461 -0.108 1.00 0.00 C ATOM 1170 C ASN A 109 -3.581 1.259 -0.899 1.00 0.00 C ATOM 1171 O ASN A 109 -2.815 1.362 -1.845 1.00 0.00 O ATOM 1172 CB ASN A 109 -4.954 3.290 -0.991 1.00 0.00 C ATOM 1173 CG ASN A 109 -4.251 3.988 -2.139 1.00 0.00 C ATOM 1174 OD1 ASN A 109 -3.072 4.312 -2.061 1.00 0.00 O ATOM 1175 ND2 ASN A 109 -4.977 4.240 -3.218 1.00 0.00 N ATOM 0 H ASN A 109 -2.438 3.843 -0.274 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.564 2.152 0.784 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.730 2.639 -1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.453 4.037 -0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.557 4.717 -4.016 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -5.956 3.957 -3.251 1.00 0.00 H new ATOM 1182 N ILE A 110 -4.075 0.118 -0.500 1.00 0.00 N ATOM 1183 CA ILE A 110 -3.946 -1.076 -1.291 1.00 0.00 C ATOM 1184 C ILE A 110 -4.889 -0.986 -2.474 1.00 0.00 C ATOM 1185 O ILE A 110 -6.099 -0.901 -2.298 1.00 0.00 O ATOM 1186 CB ILE A 110 -4.298 -2.315 -0.467 1.00 0.00 C ATOM 1187 CG1 ILE A 110 -3.362 -2.416 0.735 1.00 0.00 C ATOM 1188 CG2 ILE A 110 -4.228 -3.557 -1.336 1.00 0.00 C ATOM 1189 CD1 ILE A 110 -3.807 -3.417 1.772 1.00 0.00 C ATOM 0 H ILE A 110 -4.576 -0.010 0.379 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.913 -1.163 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.319 -2.230 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.366 -2.687 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.280 -1.435 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.480 -4.433 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.934 -3.464 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.219 -3.667 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -3.092 -3.431 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.790 -3.136 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.862 -4.408 1.321 1.00 0.00 H new ATOM 1201 N LEU A 111 -4.347 -0.981 -3.671 1.00 0.00 N ATOM 1202 CA LEU A 111 -5.179 -0.896 -4.855 1.00 0.00 C ATOM 1203 C LEU A 111 -5.503 -2.283 -5.365 1.00 0.00 C ATOM 1204 O LEU A 111 -6.353 -2.440 -6.239 1.00 0.00 O ATOM 1205 CB LEU A 111 -4.506 -0.097 -5.978 1.00 0.00 C ATOM 1206 CG LEU A 111 -4.484 1.418 -5.795 1.00 0.00 C ATOM 1207 CD1 LEU A 111 -5.860 1.933 -5.406 1.00 0.00 C ATOM 1208 CD2 LEU A 111 -3.452 1.812 -4.763 1.00 0.00 C ATOM 0 H LEU A 111 -3.345 -1.034 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 111 -6.092 -0.376 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.479 -0.446 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.015 -0.323 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.209 1.875 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.821 3.015 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.576 1.684 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.170 1.470 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.450 2.896 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.694 1.344 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.466 1.481 -5.089 1.00 0.00 H new ATOM 1220 N GLU A 112 -4.853 -3.296 -4.805 1.00 0.00 N ATOM 1221 CA GLU A 112 -4.946 -4.617 -5.370 1.00 0.00 C ATOM 1222 C GLU A 112 -4.677 -5.656 -4.314 1.00 0.00 C ATOM 1223 O GLU A 112 -3.633 -5.639 -3.663 1.00 0.00 O ATOM 1224 CB GLU A 112 -3.953 -4.766 -6.522 1.00 0.00 C ATOM 1225 CG GLU A 112 -3.821 -6.187 -7.035 1.00 0.00 C ATOM 1226 CD GLU A 112 -2.814 -6.301 -8.156 1.00 0.00 C ATOM 1227 OE1 GLU A 112 -1.623 -6.018 -7.917 1.00 0.00 O ATOM 1228 OE2 GLU A 112 -3.208 -6.665 -9.281 1.00 0.00 O ATOM 0 H GLU A 112 -4.267 -3.221 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.955 -4.764 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.264 -4.120 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.974 -4.416 -6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.524 -6.841 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.792 -6.536 -7.385 1.00 0.00 H new ATOM 1235 N ILE A 113 -5.638 -6.530 -4.128 1.00 0.00 N ATOM 1236 CA ILE A 113 -5.479 -7.653 -3.243 1.00 0.00 C ATOM 1237 C ILE A 113 -5.550 -8.932 -4.042 1.00 0.00 C ATOM 1238 O ILE A 113 -6.593 -9.261 -4.601 1.00 0.00 O ATOM 1239 CB ILE A 113 -6.554 -7.677 -2.141 1.00 0.00 C ATOM 1240 CG1 ILE A 113 -6.323 -6.540 -1.152 1.00 0.00 C ATOM 1241 CG2 ILE A 113 -6.555 -9.017 -1.423 1.00 0.00 C ATOM 1242 CD1 ILE A 113 -7.177 -6.659 0.078 1.00 0.00 C ATOM 0 H ILE A 113 -6.548 -6.481 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.508 -7.560 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.530 -7.539 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.273 -6.526 -0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.531 -5.589 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.321 -9.014 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.765 -9.813 -2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.579 -9.187 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.971 -5.823 0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.229 -6.645 -0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.952 -7.596 0.588 1.00 0.00 H new ATOM 1254 N VAL A 114 -4.442 -9.638 -4.122 1.00 0.00 N ATOM 1255 CA VAL A 114 -4.412 -10.892 -4.838 1.00 0.00 C ATOM 1256 C VAL A 114 -3.788 -11.969 -3.965 1.00 0.00 C ATOM 1257 O VAL A 114 -2.617 -11.883 -3.606 1.00 0.00 O ATOM 1258 CB VAL A 114 -3.644 -10.762 -6.186 1.00 0.00 C ATOM 1259 CG1 VAL A 114 -4.348 -9.780 -7.104 1.00 0.00 C ATOM 1260 CG2 VAL A 114 -2.203 -10.317 -5.973 1.00 0.00 C ATOM 0 H VAL A 114 -3.554 -9.365 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.438 -11.175 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.631 -11.749 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.798 -9.701 -8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.360 -10.131 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.392 -8.802 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.700 -10.238 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.191 -9.346 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.684 -11.048 -5.352 1.00 0.00 H new ATOM 1270 N LYS A 115 -4.591 -12.945 -3.555 1.00 0.00 N ATOM 1271 CA LYS A 115 -4.077 -14.013 -2.716 1.00 0.00 C ATOM 1272 C LYS A 115 -2.948 -14.742 -3.432 1.00 0.00 C ATOM 1273 O LYS A 115 -3.142 -15.414 -4.446 1.00 0.00 O ATOM 1274 CB LYS A 115 -5.173 -14.985 -2.266 1.00 0.00 C ATOM 1275 CG LYS A 115 -5.695 -15.891 -3.359 1.00 0.00 C ATOM 1276 CD LYS A 115 -6.120 -17.233 -2.801 1.00 0.00 C ATOM 1277 CE LYS A 115 -5.013 -17.888 -1.986 1.00 0.00 C ATOM 1278 NZ LYS A 115 -5.443 -19.195 -1.419 1.00 0.00 N ATOM 0 H LYS A 115 -5.582 -13.016 -3.786 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.682 -13.558 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.784 -15.601 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.005 -14.411 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.541 -15.416 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.923 -16.036 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.002 -17.102 -2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.406 -17.892 -3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.136 -18.036 -2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.714 -17.221 -1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.662 -19.609 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.264 -19.050 -0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.704 -19.840 -2.192 1.00 0.00 H new ATOM 1292 N THR A 116 -1.768 -14.556 -2.890 1.00 0.00 N ATOM 1293 CA THR A 116 -0.533 -15.057 -3.475 1.00 0.00 C ATOM 1294 C THR A 116 -0.271 -14.461 -4.869 1.00 0.00 C ATOM 1295 O THR A 116 0.544 -13.548 -5.023 1.00 0.00 O ATOM 1296 CB THR A 116 -0.548 -16.598 -3.537 1.00 0.00 C ATOM 1297 OG1 THR A 116 -0.399 -17.133 -2.215 1.00 0.00 O ATOM 1298 CG2 THR A 116 0.549 -17.123 -4.444 1.00 0.00 C ATOM 0 H THR A 116 -1.630 -14.046 -2.018 1.00 0.00 H new ATOM 0 HA THR A 116 0.285 -14.739 -2.828 1.00 0.00 H new ATOM 0 HB THR A 116 -1.503 -16.918 -3.953 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.410 -18.112 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.512 -18.212 -4.467 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.405 -16.734 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.519 -16.801 -4.066 1.00 0.00 H new