USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 639 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 6 GLN :FLIP amide:sc= -0.402 X(o=-1.1!,f=-0.81) USER MOD Set 1.2: A 30 ASN :FLIP amide:sc= -0.407 F(o=-1.8,f=-0.81) USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00263 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.697 K(o=-0.7,f=-2.4!) USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.0121 USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= -3.37! (180deg=-6.18!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -59:sc= 1.07 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.972 USER MOD Single : A 44 CYS SG : rot 150:sc= -2.06 USER MOD Single : A 46 HIS : no HD1:sc= -0.696 K(o=-0.7,f=-4.5!) USER MOD Single : A 47 ASN : amide:sc= -0.0242 K(o=-0.024,f=-2.6!) USER MOD Single : A 48 CYS SG : rot 0:sc= -0.297 USER MOD Single : A 51 THR OG1 : rot -14:sc=-0.00277 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.292 USER MOD Single : A 58 SER OG : rot 109:sc= 0.633 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 32:sc= -5.06! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0178 (180deg=-0.256) USER MOD Single : A 80 SER OG : rot 180:sc= -0.21 USER MOD Single : A 83 LYS NZ :NH3+ 144:sc= -3.26! (180deg=-5.9!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0071 USER MOD Single : A 86 SER OG : rot -113:sc= 1.28 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0495 (180deg=-0.282) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= -0.0252 (180deg=-0.21) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.680 5.704 -2.388 1.00 0.00 N ATOM 63 CA GLN A 6 -15.524 6.539 -2.086 1.00 0.00 C ATOM 64 C GLN A 6 -14.229 5.730 -2.162 1.00 0.00 C ATOM 65 O GLN A 6 -14.123 4.657 -1.570 1.00 0.00 O ATOM 66 CB GLN A 6 -15.672 7.166 -0.699 1.00 0.00 C ATOM 67 CG GLN A 6 -15.837 6.147 0.419 1.00 0.00 C ATOM 68 CD GLN A 6 -16.030 6.784 1.785 1.00 0.00 C ATOM 69 OE1 GLN A 6 -16.053 8.113 1.833 1.00 0.00 O flip ATOM 70 NE2 GLN A 6 -16.160 6.085 2.791 1.00 0.00 N flip ATOM 0 HA GLN A 6 -15.475 7.333 -2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.795 7.780 -0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.535 7.832 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.693 5.510 0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.959 5.502 0.447 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.137 5.068 2.712 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.291 6.523 3.703 1.00 0.00 H new ATOM 79 N PRO A 7 -13.220 6.240 -2.894 1.00 0.00 N ATOM 80 CA PRO A 7 -11.929 5.559 -3.040 1.00 0.00 C ATOM 81 C PRO A 7 -11.130 5.555 -1.738 1.00 0.00 C ATOM 82 O PRO A 7 -11.087 6.560 -1.027 1.00 0.00 O ATOM 83 CB PRO A 7 -11.207 6.382 -4.109 1.00 0.00 C ATOM 84 CG PRO A 7 -11.825 7.735 -4.031 1.00 0.00 C ATOM 85 CD PRO A 7 -13.259 7.516 -3.635 1.00 0.00 C ATOM 0 HA PRO A 7 -12.050 4.509 -3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.135 6.425 -3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.336 5.945 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.309 8.357 -3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.760 8.249 -4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.633 8.330 -3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.911 7.455 -4.506 1.00 0.00 H new ATOM 93 N PRO A 8 -10.481 4.424 -1.404 1.00 0.00 N ATOM 94 CA PRO A 8 -9.683 4.306 -0.178 1.00 0.00 C ATOM 95 C PRO A 8 -8.567 5.343 -0.119 1.00 0.00 C ATOM 96 O PRO A 8 -7.778 5.473 -1.054 1.00 0.00 O ATOM 97 CB PRO A 8 -9.095 2.890 -0.254 1.00 0.00 C ATOM 98 CG PRO A 8 -9.249 2.471 -1.677 1.00 0.00 C ATOM 99 CD PRO A 8 -10.471 3.178 -2.187 1.00 0.00 C ATOM 0 HA PRO A 8 -10.285 4.477 0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.047 2.884 0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.622 2.210 0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.369 2.742 -2.261 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.363 1.390 -1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.407 3.374 -3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.375 2.591 -2.024 1.00 0.00 H new ATOM 107 N LEU A 9 -8.508 6.079 0.988 1.00 0.00 N ATOM 108 CA LEU A 9 -7.489 7.108 1.171 1.00 0.00 C ATOM 109 C LEU A 9 -6.476 6.695 2.234 1.00 0.00 C ATOM 110 O LEU A 9 -6.823 6.522 3.402 1.00 0.00 O ATOM 111 CB LEU A 9 -8.148 8.433 1.567 1.00 0.00 C ATOM 112 CG LEU A 9 -7.183 9.597 1.805 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.436 9.946 0.527 1.00 0.00 C ATOM 114 CD2 LEU A 9 -7.936 10.810 2.332 1.00 0.00 C ATOM 0 H LEU A 9 -9.154 5.982 1.771 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.961 7.234 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.850 8.719 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.730 8.274 2.475 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.452 9.290 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.756 10.776 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.866 9.080 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.150 10.233 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.236 11.629 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.688 11.115 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.424 10.555 3.273 1.00 0.00 H new ATOM 126 N VAL A 10 -5.219 6.550 1.823 1.00 0.00 N ATOM 127 CA VAL A 10 -4.153 6.169 2.743 1.00 0.00 C ATOM 128 C VAL A 10 -3.620 7.389 3.489 1.00 0.00 C ATOM 129 O VAL A 10 -3.321 8.417 2.880 1.00 0.00 O ATOM 130 CB VAL A 10 -2.994 5.471 2.001 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.865 5.125 2.961 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.499 4.223 1.292 1.00 0.00 C ATOM 0 H VAL A 10 -4.915 6.691 0.860 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.579 5.468 3.461 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.599 6.160 1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.060 4.634 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.487 6.038 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.239 4.455 3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.672 3.740 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.920 3.534 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.268 4.500 0.571 1.00 0.00 H new ATOM 142 N THR A 11 -3.509 7.269 4.810 1.00 0.00 N ATOM 143 CA THR A 11 -3.018 8.364 5.644 1.00 0.00 C ATOM 144 C THR A 11 -2.283 7.831 6.871 1.00 0.00 C ATOM 145 O THR A 11 -2.536 8.271 7.994 1.00 0.00 O ATOM 146 CB THR A 11 -4.170 9.272 6.126 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.082 8.517 6.932 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.920 9.890 4.955 1.00 0.00 C ATOM 0 H THR A 11 -3.753 6.424 5.326 1.00 0.00 H new ATOM 0 HA THR A 11 -2.335 8.944 5.024 1.00 0.00 H new ATOM 0 HB THR A 11 -3.734 10.078 6.716 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.809 9.099 7.236 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.724 10.523 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.233 10.491 4.360 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.341 9.099 4.334 1.00 0.00 H new ATOM 156 N GLY A 12 -1.377 6.880 6.659 1.00 0.00 N ATOM 157 CA GLY A 12 -0.638 6.313 7.772 1.00 0.00 C ATOM 158 C GLY A 12 0.401 5.295 7.342 1.00 0.00 C ATOM 159 O GLY A 12 0.213 4.578 6.358 1.00 0.00 O ATOM 0 H GLY A 12 -1.143 6.495 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.145 7.116 8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.338 5.840 8.461 1.00 0.00 H new ATOM 163 N ILE A 13 1.500 5.234 8.090 1.00 0.00 N ATOM 164 CA ILE A 13 2.585 4.302 7.802 1.00 0.00 C ATOM 165 C ILE A 13 3.471 4.112 9.029 1.00 0.00 C ATOM 166 O ILE A 13 3.899 5.086 9.650 1.00 0.00 O ATOM 167 CB ILE A 13 3.451 4.793 6.619 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.593 3.813 6.345 1.00 0.00 C ATOM 169 CG2 ILE A 13 4.002 6.185 6.901 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.377 4.133 5.091 1.00 0.00 C ATOM 0 H ILE A 13 1.662 5.824 8.906 1.00 0.00 H new ATOM 0 HA ILE A 13 2.130 3.349 7.531 1.00 0.00 H new ATOM 0 HB ILE A 13 2.820 4.844 5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.272 3.812 7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.184 2.806 6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.609 6.514 6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.176 6.881 7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.616 6.158 7.801 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.170 3.397 4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.711 4.106 4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.815 5.127 5.180 1.00 0.00 H new ATOM 182 N SER A 14 3.744 2.857 9.380 1.00 0.00 N ATOM 183 CA SER A 14 4.581 2.571 10.539 1.00 0.00 C ATOM 184 C SER A 14 5.996 3.112 10.319 1.00 0.00 C ATOM 185 O SER A 14 6.458 3.955 11.088 1.00 0.00 O ATOM 186 CB SER A 14 4.608 1.068 10.844 1.00 0.00 C ATOM 187 OG SER A 14 5.406 0.792 11.982 1.00 0.00 O ATOM 0 H SER A 14 3.402 2.033 8.885 1.00 0.00 H new ATOM 0 HA SER A 14 4.151 3.074 11.405 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.592 0.710 11.013 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.998 0.526 9.982 1.00 0.00 H new ATOM 0 HG SER A 14 5.405 -0.172 12.156 1.00 0.00 H new ATOM 193 N PRO A 15 6.709 2.660 9.262 1.00 0.00 N ATOM 194 CA PRO A 15 8.058 3.145 8.975 1.00 0.00 C ATOM 195 C PRO A 15 8.045 4.584 8.462 1.00 0.00 C ATOM 196 O PRO A 15 7.190 5.383 8.846 1.00 0.00 O ATOM 197 CB PRO A 15 8.585 2.189 7.890 1.00 0.00 C ATOM 198 CG PRO A 15 7.576 1.094 7.782 1.00 0.00 C ATOM 199 CD PRO A 15 6.275 1.667 8.268 1.00 0.00 C ATOM 0 HA PRO A 15 8.681 3.157 9.869 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.703 2.706 6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.564 1.793 8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.487 0.748 6.752 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.870 0.234 8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.707 2.126 7.459 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.637 0.903 8.711 1.00 0.00 H new ATOM 207 N ASN A 16 8.997 4.902 7.591 1.00 0.00 N ATOM 208 CA ASN A 16 9.110 6.238 7.012 1.00 0.00 C ATOM 209 C ASN A 16 10.239 6.267 5.987 1.00 0.00 C ATOM 210 O ASN A 16 10.231 7.071 5.056 1.00 0.00 O ATOM 211 CB ASN A 16 9.354 7.280 8.107 1.00 0.00 C ATOM 212 CG ASN A 16 9.436 8.694 7.561 1.00 0.00 C ATOM 213 OD1 ASN A 16 10.324 9.020 6.773 1.00 0.00 O ATOM 214 ND2 ASN A 16 8.504 9.543 7.980 1.00 0.00 N ATOM 0 H ASN A 16 9.708 4.246 7.268 1.00 0.00 H new ATOM 0 HA ASN A 16 8.173 6.483 6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.551 7.224 8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.281 7.042 8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.506 10.507 7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.786 9.230 8.634 1.00 0.00 H new ATOM 221 N GLU A 17 11.203 5.370 6.169 1.00 0.00 N ATOM 222 CA GLU A 17 12.345 5.266 5.269 1.00 0.00 C ATOM 223 C GLU A 17 13.040 3.921 5.456 1.00 0.00 C ATOM 224 O GLU A 17 13.348 3.521 6.580 1.00 0.00 O ATOM 225 CB GLU A 17 13.329 6.413 5.516 1.00 0.00 C ATOM 226 CG GLU A 17 13.848 6.481 6.944 1.00 0.00 C ATOM 227 CD GLU A 17 14.823 7.624 7.159 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.097 8.362 6.189 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.314 7.778 8.296 1.00 0.00 O ATOM 0 H GLU A 17 11.215 4.700 6.938 1.00 0.00 H new ATOM 0 HA GLU A 17 11.986 5.336 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.175 6.306 4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.841 7.357 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.006 6.594 7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.337 5.540 7.194 1.00 0.00 H new ATOM 236 N GLY A 18 13.273 3.218 4.351 1.00 0.00 N ATOM 237 CA GLY A 18 13.916 1.920 4.424 1.00 0.00 C ATOM 238 C GLY A 18 14.039 1.250 3.069 1.00 0.00 C ATOM 239 O GLY A 18 13.262 1.532 2.157 1.00 0.00 O ATOM 0 H GLY A 18 13.028 3.524 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.909 2.035 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.347 1.275 5.093 1.00 0.00 H new ATOM 243 N ILE A 19 15.020 0.358 2.942 1.00 0.00 N ATOM 244 CA ILE A 19 15.254 -0.366 1.696 1.00 0.00 C ATOM 245 C ILE A 19 13.968 -1.018 1.179 1.00 0.00 C ATOM 246 O ILE A 19 13.014 -1.203 1.929 1.00 0.00 O ATOM 247 CB ILE A 19 16.342 -1.444 1.873 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.967 -2.402 3.007 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.691 -0.789 2.140 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.961 -3.527 3.208 1.00 0.00 C ATOM 0 H ILE A 19 15.668 0.119 3.692 1.00 0.00 H new ATOM 0 HA ILE A 19 15.596 0.365 0.963 1.00 0.00 H new ATOM 0 HB ILE A 19 16.417 -2.023 0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.880 -1.836 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.986 -2.829 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 19 18.452 -1.560 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.957 -0.148 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.631 -0.190 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.629 -4.164 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 19 17.031 -4.118 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.939 -3.110 3.447 1.00 0.00 H new ATOM 262 N PRO A 20 13.920 -1.351 -0.126 1.00 0.00 N ATOM 263 CA PRO A 20 12.739 -1.963 -0.753 1.00 0.00 C ATOM 264 C PRO A 20 12.165 -3.147 0.027 1.00 0.00 C ATOM 265 O PRO A 20 10.958 -3.234 0.240 1.00 0.00 O ATOM 266 CB PRO A 20 13.277 -2.444 -2.099 1.00 0.00 C ATOM 267 CG PRO A 20 14.385 -1.506 -2.419 1.00 0.00 C ATOM 268 CD PRO A 20 15.010 -1.135 -1.103 1.00 0.00 C ATOM 0 HA PRO A 20 11.915 -1.252 -0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.634 -3.472 -2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.503 -2.420 -2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 20 15.115 -1.975 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 20 14.011 -0.622 -2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.876 -1.758 -0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.352 -0.100 -1.099 1.00 0.00 H new ATOM 276 N TRP A 21 13.025 -4.071 0.427 1.00 0.00 N ATOM 277 CA TRP A 21 12.579 -5.255 1.158 1.00 0.00 C ATOM 278 C TRP A 21 12.012 -4.914 2.535 1.00 0.00 C ATOM 279 O TRP A 21 11.495 -5.791 3.228 1.00 0.00 O ATOM 280 CB TRP A 21 13.718 -6.265 1.296 1.00 0.00 C ATOM 281 CG TRP A 21 14.135 -6.864 -0.011 1.00 0.00 C ATOM 282 CD1 TRP A 21 15.226 -6.528 -0.760 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.448 -7.888 -0.736 1.00 0.00 C ATOM 284 NE1 TRP A 21 15.267 -7.295 -1.901 1.00 0.00 N ATOM 285 CE2 TRP A 21 14.184 -8.137 -1.909 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.283 -8.626 -0.502 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.793 -9.091 -2.846 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.894 -9.571 -1.432 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.648 -9.796 -2.592 1.00 0.00 C ATOM 0 H TRP A 21 14.030 -4.028 0.261 1.00 0.00 H new ATOM 0 HA TRP A 21 11.772 -5.698 0.574 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.577 -5.774 1.754 1.00 0.00 H new ATOM 0 HB3 TRP A 21 13.408 -7.062 1.972 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.950 -5.772 -0.496 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.985 -7.246 -2.623 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.698 -8.460 0.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.372 -9.268 -3.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.995 -10.145 -1.263 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.318 -10.542 -3.300 1.00 0.00 H new ATOM 300 N THR A 22 12.101 -3.649 2.932 1.00 0.00 N ATOM 301 CA THR A 22 11.584 -3.230 4.232 1.00 0.00 C ATOM 302 C THR A 22 10.064 -3.335 4.277 1.00 0.00 C ATOM 303 O THR A 22 9.367 -2.779 3.428 1.00 0.00 O ATOM 304 CB THR A 22 11.994 -1.786 4.579 1.00 0.00 C ATOM 305 OG1 THR A 22 13.421 -1.678 4.623 1.00 0.00 O ATOM 306 CG2 THR A 22 11.408 -1.361 5.920 1.00 0.00 C ATOM 0 H THR A 22 12.522 -2.902 2.379 1.00 0.00 H new ATOM 0 HA THR A 22 12.021 -3.904 4.969 1.00 0.00 H new ATOM 0 HB THR A 22 11.603 -1.127 3.804 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.673 -0.883 5.137 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.712 -0.338 6.142 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.320 -1.415 5.875 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.772 -2.026 6.703 1.00 0.00 H new ATOM 314 N LYS A 23 9.559 -4.045 5.278 1.00 0.00 N ATOM 315 CA LYS A 23 8.122 -4.219 5.442 1.00 0.00 C ATOM 316 C LYS A 23 7.472 -2.917 5.897 1.00 0.00 C ATOM 317 O LYS A 23 7.959 -2.261 6.819 1.00 0.00 O ATOM 318 CB LYS A 23 7.835 -5.331 6.454 1.00 0.00 C ATOM 319 CG LYS A 23 6.353 -5.613 6.651 1.00 0.00 C ATOM 320 CD LYS A 23 6.114 -6.729 7.660 1.00 0.00 C ATOM 321 CE LYS A 23 6.473 -6.305 9.080 1.00 0.00 C ATOM 322 NZ LYS A 23 7.937 -6.090 9.255 1.00 0.00 N ATOM 0 H LYS A 23 10.124 -4.510 5.989 1.00 0.00 H new ATOM 0 HA LYS A 23 7.698 -4.500 4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.329 -6.245 6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.274 -5.059 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.853 -4.705 6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.906 -5.886 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.067 -7.030 7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.706 -7.601 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.941 -5.386 9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.134 -7.068 9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.232 -6.448 10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.454 -6.598 8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.149 -5.074 9.192 1.00 0.00 H new ATOM 336 N VAL A 24 6.370 -2.549 5.252 1.00 0.00 N ATOM 337 CA VAL A 24 5.657 -1.327 5.601 1.00 0.00 C ATOM 338 C VAL A 24 4.161 -1.590 5.750 1.00 0.00 C ATOM 339 O VAL A 24 3.519 -2.136 4.851 1.00 0.00 O ATOM 340 CB VAL A 24 5.883 -0.216 4.551 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.359 0.143 4.465 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.357 -0.636 3.187 1.00 0.00 C ATOM 0 H VAL A 24 5.952 -3.078 4.487 1.00 0.00 H new ATOM 0 HA VAL A 24 6.058 -0.988 6.556 1.00 0.00 H new ATOM 0 HB VAL A 24 5.327 0.666 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.500 0.927 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.704 0.498 5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.932 -0.738 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.529 0.165 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.876 -1.536 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.288 -0.838 3.256 1.00 0.00 H new ATOM 352 N THR A 25 3.613 -1.205 6.898 1.00 0.00 N ATOM 353 CA THR A 25 2.196 -1.404 7.172 1.00 0.00 C ATOM 354 C THR A 25 1.355 -0.281 6.576 1.00 0.00 C ATOM 355 O THR A 25 1.590 0.895 6.853 1.00 0.00 O ATOM 356 CB THR A 25 1.927 -1.485 8.687 1.00 0.00 C ATOM 357 OG1 THR A 25 2.677 -2.562 9.262 1.00 0.00 O ATOM 358 CG2 THR A 25 0.445 -1.689 8.967 1.00 0.00 C ATOM 0 H THR A 25 4.129 -0.754 7.653 1.00 0.00 H new ATOM 0 HA THR A 25 1.913 -2.348 6.707 1.00 0.00 H new ATOM 0 HB THR A 25 2.239 -0.543 9.137 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.502 -2.605 10.225 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.282 -1.743 10.043 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.121 -0.853 8.556 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.111 -2.617 8.503 1.00 0.00 H new ATOM 366 N ILE A 26 0.367 -0.651 5.767 1.00 0.00 N ATOM 367 CA ILE A 26 -0.512 0.332 5.147 1.00 0.00 C ATOM 368 C ILE A 26 -1.613 0.757 6.109 1.00 0.00 C ATOM 369 O ILE A 26 -2.181 -0.068 6.826 1.00 0.00 O ATOM 370 CB ILE A 26 -1.154 -0.204 3.851 1.00 0.00 C ATOM 371 CG1 ILE A 26 -0.076 -0.561 2.826 1.00 0.00 C ATOM 372 CG2 ILE A 26 -2.120 0.824 3.274 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.636 -1.022 1.497 1.00 0.00 C ATOM 0 H ILE A 26 0.156 -1.620 5.527 1.00 0.00 H new ATOM 0 HA ILE A 26 0.109 1.192 4.896 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.713 -1.109 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.560 0.309 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.558 -1.347 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.565 0.432 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.906 1.032 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.581 1.744 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.184 -1.258 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.249 -1.911 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.247 -0.229 1.065 1.00 0.00 H new ATOM 385 N ARG A 27 -1.913 2.050 6.114 1.00 0.00 N ATOM 386 CA ARG A 27 -2.949 2.595 6.980 1.00 0.00 C ATOM 387 C ARG A 27 -3.652 3.760 6.295 1.00 0.00 C ATOM 388 O ARG A 27 -3.005 4.645 5.737 1.00 0.00 O ATOM 389 CB ARG A 27 -2.345 3.061 8.308 1.00 0.00 C ATOM 390 CG ARG A 27 -1.811 1.930 9.173 1.00 0.00 C ATOM 391 CD ARG A 27 -2.934 1.044 9.691 1.00 0.00 C ATOM 392 NE ARG A 27 -3.922 1.807 10.450 1.00 0.00 N ATOM 393 CZ ARG A 27 -4.961 1.258 11.075 1.00 0.00 C ATOM 394 NH1 ARG A 27 -5.137 -0.056 11.050 1.00 0.00 N ATOM 395 NH2 ARG A 27 -5.822 2.026 11.729 1.00 0.00 N ATOM 0 H ARG A 27 -1.451 2.743 5.525 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.678 1.809 7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.535 3.761 8.102 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.103 3.607 8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.110 1.329 8.595 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.257 2.345 10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.423 0.550 8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.516 0.260 10.323 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.809 2.819 10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.475 -0.650 10.551 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.934 -0.473 11.530 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.688 3.037 11.753 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.618 1.606 12.208 1.00 0.00 H new ATOM 409 N GLY A 28 -4.980 3.750 6.336 1.00 0.00 N ATOM 410 CA GLY A 28 -5.750 4.807 5.709 1.00 0.00 C ATOM 411 C GLY A 28 -7.216 4.755 6.087 1.00 0.00 C ATOM 412 O GLY A 28 -7.553 4.664 7.268 1.00 0.00 O ATOM 0 H GLY A 28 -5.537 3.028 6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.337 5.774 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.654 4.730 4.626 1.00 0.00 H new ATOM 416 N GLU A 29 -8.089 4.815 5.086 1.00 0.00 N ATOM 417 CA GLU A 29 -9.526 4.776 5.325 1.00 0.00 C ATOM 418 C GLU A 29 -10.259 4.078 4.182 1.00 0.00 C ATOM 419 O GLU A 29 -10.027 4.372 3.009 1.00 0.00 O ATOM 420 CB GLU A 29 -10.077 6.197 5.488 1.00 0.00 C ATOM 421 CG GLU A 29 -9.394 7.002 6.582 1.00 0.00 C ATOM 422 CD GLU A 29 -9.988 8.387 6.745 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.195 8.481 7.056 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.249 9.375 6.561 1.00 0.00 O ATOM 0 H GLU A 29 -7.826 4.891 4.103 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.693 4.211 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.972 6.727 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.144 6.140 5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.472 6.464 7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.332 7.091 6.353 1.00 0.00 H new ATOM 431 N ASN A 30 -11.160 3.166 4.542 1.00 0.00 N ATOM 432 CA ASN A 30 -11.960 2.428 3.566 1.00 0.00 C ATOM 433 C ASN A 30 -11.102 1.588 2.616 1.00 0.00 C ATOM 434 O ASN A 30 -11.372 1.537 1.415 1.00 0.00 O ATOM 435 CB ASN A 30 -12.827 3.398 2.758 1.00 0.00 C ATOM 436 CG ASN A 30 -13.735 4.233 3.639 1.00 0.00 C ATOM 437 OD1 ASN A 30 -13.559 5.549 3.590 1.00 0.00 O flip ATOM 438 ND2 ASN A 30 -14.584 3.705 4.357 1.00 0.00 N flip ATOM 0 H ASN A 30 -11.356 2.919 5.512 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.592 1.740 4.127 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.183 4.058 2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.432 2.835 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.686 2.690 4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.186 4.282 4.944 1.00 0.00 H new ATOM 445 N LEU A 31 -10.087 0.914 3.153 1.00 0.00 N ATOM 446 CA LEU A 31 -9.228 0.062 2.331 1.00 0.00 C ATOM 447 C LEU A 31 -9.863 -1.312 2.133 1.00 0.00 C ATOM 448 O LEU A 31 -9.216 -2.343 2.327 1.00 0.00 O ATOM 449 CB LEU A 31 -7.835 -0.090 2.953 1.00 0.00 C ATOM 450 CG LEU A 31 -6.918 1.128 2.812 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.458 2.313 3.596 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.508 0.785 3.267 1.00 0.00 C ATOM 0 H LEU A 31 -9.840 0.940 4.142 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.118 0.545 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.951 -0.316 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.343 -0.949 2.496 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.887 1.408 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.787 3.164 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.447 2.576 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.528 2.050 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.868 1.661 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.528 0.475 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.116 -0.027 2.655 1.00 0.00 H new ATOM 464 N GLY A 32 -11.134 -1.316 1.746 1.00 0.00 N ATOM 465 CA GLY A 32 -11.848 -2.561 1.526 1.00 0.00 C ATOM 466 C GLY A 32 -12.173 -3.281 2.819 1.00 0.00 C ATOM 467 O GLY A 32 -11.281 -3.601 3.604 1.00 0.00 O ATOM 0 H GLY A 32 -11.686 -0.474 1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.772 -2.355 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.247 -3.213 0.892 1.00 0.00 H new ATOM 471 N THR A 33 -13.460 -3.539 3.037 1.00 0.00 N ATOM 472 CA THR A 33 -13.912 -4.228 4.239 1.00 0.00 C ATOM 473 C THR A 33 -13.986 -5.738 4.015 1.00 0.00 C ATOM 474 O THR A 33 -14.939 -6.395 4.438 1.00 0.00 O ATOM 475 CB THR A 33 -15.285 -3.707 4.695 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.738 -4.434 5.843 1.00 0.00 O ATOM 477 CG2 THR A 33 -16.296 -3.831 3.573 1.00 0.00 C ATOM 0 H THR A 33 -14.209 -3.280 2.394 1.00 0.00 H new ATOM 0 HA THR A 33 -13.181 -4.024 5.021 1.00 0.00 H new ATOM 0 HB THR A 33 -15.182 -2.655 4.962 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.804 -5.386 5.622 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.263 -3.458 3.911 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.962 -3.247 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.392 -4.878 3.284 1.00 0.00 H new ATOM 485 N GLY A 34 -12.977 -6.284 3.346 1.00 0.00 N ATOM 486 CA GLY A 34 -12.953 -7.709 3.079 1.00 0.00 C ATOM 487 C GLY A 34 -11.806 -8.116 2.173 1.00 0.00 C ATOM 488 O GLY A 34 -11.416 -7.356 1.287 1.00 0.00 O ATOM 0 H GLY A 34 -12.176 -5.766 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.875 -8.250 4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.896 -8.004 2.619 1.00 0.00 H new ATOM 492 N PRO A 35 -11.241 -9.321 2.371 1.00 0.00 N ATOM 493 CA PRO A 35 -10.129 -9.816 1.553 1.00 0.00 C ATOM 494 C PRO A 35 -10.454 -9.771 0.065 1.00 0.00 C ATOM 495 O PRO A 35 -9.623 -9.372 -0.752 1.00 0.00 O ATOM 496 CB PRO A 35 -9.957 -11.264 2.019 1.00 0.00 C ATOM 497 CG PRO A 35 -10.527 -11.294 3.395 1.00 0.00 C ATOM 498 CD PRO A 35 -11.648 -10.294 3.403 1.00 0.00 C ATOM 0 HA PRO A 35 -9.230 -9.211 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.480 -11.956 1.359 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.907 -11.557 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.892 -12.290 3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.770 -11.037 4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.604 -10.759 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.759 -9.822 4.379 1.00 0.00 H new ATOM 506 N THR A 36 -11.672 -10.179 -0.277 1.00 0.00 N ATOM 507 CA THR A 36 -12.124 -10.185 -1.662 1.00 0.00 C ATOM 508 C THR A 36 -12.131 -8.773 -2.241 1.00 0.00 C ATOM 509 O THR A 36 -11.896 -8.579 -3.434 1.00 0.00 O ATOM 510 CB THR A 36 -13.537 -10.783 -1.786 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.473 -9.983 -1.055 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.566 -12.210 -1.261 1.00 0.00 C ATOM 0 H THR A 36 -12.367 -10.512 0.392 1.00 0.00 H new ATOM 0 HA THR A 36 -11.424 -10.804 -2.223 1.00 0.00 H new ATOM 0 HB THR A 36 -13.813 -10.793 -2.840 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.370 -10.369 -1.140 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.574 -12.613 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.873 -12.824 -1.836 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.272 -12.218 -0.211 1.00 0.00 H new ATOM 520 N ASP A 37 -12.410 -7.793 -1.384 1.00 0.00 N ATOM 521 CA ASP A 37 -12.455 -6.394 -1.796 1.00 0.00 C ATOM 522 C ASP A 37 -11.048 -5.819 -1.939 1.00 0.00 C ATOM 523 O ASP A 37 -10.765 -4.717 -1.467 1.00 0.00 O ATOM 524 CB ASP A 37 -13.256 -5.571 -0.784 1.00 0.00 C ATOM 525 CG ASP A 37 -14.691 -6.046 -0.652 1.00 0.00 C ATOM 526 OD1 ASP A 37 -15.071 -7.000 -1.363 1.00 0.00 O ATOM 527 OD2 ASP A 37 -15.436 -5.464 0.165 1.00 0.00 O ATOM 0 H ASP A 37 -12.609 -7.945 -0.395 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.946 -6.343 -2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.768 -5.624 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.250 -4.524 -1.087 1.00 0.00 H new ATOM 532 N LEU A 38 -10.170 -6.573 -2.591 1.00 0.00 N ATOM 533 CA LEU A 38 -8.793 -6.143 -2.794 1.00 0.00 C ATOM 534 C LEU A 38 -8.152 -6.956 -3.916 1.00 0.00 C ATOM 535 O LEU A 38 -7.109 -7.588 -3.730 1.00 0.00 O ATOM 536 CB LEU A 38 -7.998 -6.307 -1.496 1.00 0.00 C ATOM 537 CG LEU A 38 -6.859 -5.301 -1.281 1.00 0.00 C ATOM 538 CD1 LEU A 38 -6.131 -5.598 0.020 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.879 -5.312 -2.445 1.00 0.00 C ATOM 0 H LEU A 38 -10.389 -7.487 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.786 -5.091 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.689 -6.230 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.579 -7.313 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.301 -4.306 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.326 -4.877 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.830 -5.526 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.714 -6.604 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.086 -4.588 -2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.446 -6.307 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.403 -5.049 -3.364 1.00 0.00 H new ATOM 551 N ILE A 39 -8.791 -6.943 -5.079 1.00 0.00 N ATOM 552 CA ILE A 39 -8.295 -7.680 -6.234 1.00 0.00 C ATOM 553 C ILE A 39 -6.976 -7.102 -6.736 1.00 0.00 C ATOM 554 O ILE A 39 -6.084 -7.841 -7.157 1.00 0.00 O ATOM 555 CB ILE A 39 -9.320 -7.679 -7.385 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.677 -6.243 -7.781 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.567 -8.454 -6.979 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.638 -6.152 -8.948 1.00 0.00 C ATOM 0 H ILE A 39 -9.656 -6.429 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.132 -8.706 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.876 -8.170 -8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.116 -5.737 -6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.762 -5.707 -8.033 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.284 -8.446 -7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.295 -9.483 -6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.015 -7.988 -6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.843 -5.105 -9.170 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.194 -6.628 -9.823 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.569 -6.658 -8.693 1.00 0.00 H new ATOM 570 N GLY A 40 -6.859 -5.778 -6.695 1.00 0.00 N ATOM 571 CA GLY A 40 -5.646 -5.129 -7.155 1.00 0.00 C ATOM 572 C GLY A 40 -4.868 -4.471 -6.034 1.00 0.00 C ATOM 573 O GLY A 40 -5.452 -3.848 -5.146 1.00 0.00 O ATOM 0 H GLY A 40 -7.581 -5.145 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.011 -5.865 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.903 -4.378 -7.902 1.00 0.00 H new ATOM 577 N LEU A 41 -3.546 -4.609 -6.077 1.00 0.00 N ATOM 578 CA LEU A 41 -2.683 -4.022 -5.059 1.00 0.00 C ATOM 579 C LEU A 41 -1.339 -3.633 -5.670 1.00 0.00 C ATOM 580 O LEU A 41 -0.737 -4.408 -6.415 1.00 0.00 O ATOM 581 CB LEU A 41 -2.488 -5.014 -3.902 1.00 0.00 C ATOM 582 CG LEU A 41 -1.846 -4.450 -2.625 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.374 -4.133 -2.839 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.592 -3.210 -2.151 1.00 0.00 C ATOM 0 H LEU A 41 -3.050 -5.122 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.155 -3.121 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.461 -5.431 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.872 -5.840 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.916 -5.216 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.050 -3.736 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.157 -5.042 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.273 -3.393 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.122 -2.826 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.560 -2.447 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.630 -3.468 -1.939 1.00 0.00 H new ATOM 596 N THR A 42 -0.878 -2.427 -5.351 1.00 0.00 N ATOM 597 CA THR A 42 0.392 -1.925 -5.867 1.00 0.00 C ATOM 598 C THR A 42 1.083 -1.017 -4.859 1.00 0.00 C ATOM 599 O THR A 42 0.433 -0.294 -4.106 1.00 0.00 O ATOM 600 CB THR A 42 0.209 -1.139 -7.180 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.856 -0.193 -7.045 1.00 0.00 O ATOM 602 CG2 THR A 42 -0.069 -2.068 -8.351 1.00 0.00 C ATOM 0 H THR A 42 -1.367 -1.777 -4.735 1.00 0.00 H new ATOM 0 HA THR A 42 1.008 -2.804 -6.056 1.00 0.00 H new ATOM 0 HB THR A 42 1.140 -0.609 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.962 0.302 -7.884 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.193 -1.480 -9.260 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.766 -2.757 -8.475 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.980 -2.634 -8.158 1.00 0.00 H new ATOM 610 N ILE A 43 2.411 -1.051 -4.868 1.00 0.00 N ATOM 611 CA ILE A 43 3.207 -0.225 -3.972 1.00 0.00 C ATOM 612 C ILE A 43 4.254 0.536 -4.768 1.00 0.00 C ATOM 613 O ILE A 43 5.132 -0.071 -5.380 1.00 0.00 O ATOM 614 CB ILE A 43 3.913 -1.071 -2.897 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.889 -1.846 -2.067 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.764 -0.181 -2.004 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.515 -2.782 -1.057 1.00 0.00 C ATOM 0 H ILE A 43 2.960 -1.645 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 43 2.530 0.470 -3.475 1.00 0.00 H new ATOM 0 HB ILE A 43 4.565 -1.791 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.246 -1.138 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.251 -2.422 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.258 -0.791 -1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.515 0.328 -2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.129 0.558 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.730 -3.298 -0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.136 -3.513 -1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.131 -2.210 -0.363 1.00 0.00 H new ATOM 629 N CYS A 44 4.149 1.863 -4.768 1.00 0.00 N ATOM 630 CA CYS A 44 5.082 2.713 -5.507 1.00 0.00 C ATOM 631 C CYS A 44 4.863 2.584 -7.017 1.00 0.00 C ATOM 632 O CYS A 44 5.096 3.531 -7.766 1.00 0.00 O ATOM 633 CB CYS A 44 6.530 2.368 -5.153 1.00 0.00 C ATOM 634 SG CYS A 44 6.920 2.527 -3.394 1.00 0.00 S ATOM 0 H CYS A 44 3.425 2.375 -4.263 1.00 0.00 H new ATOM 0 HA CYS A 44 4.890 3.746 -5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.736 1.345 -5.468 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.196 3.017 -5.722 1.00 0.00 H new ATOM 0 HG CYS A 44 7.849 1.675 -3.077 1.00 0.00 H new ATOM 640 N GLY A 45 4.417 1.405 -7.457 1.00 0.00 N ATOM 641 CA GLY A 45 4.172 1.176 -8.868 1.00 0.00 C ATOM 642 C GLY A 45 4.040 -0.298 -9.206 1.00 0.00 C ATOM 643 O GLY A 45 3.149 -0.688 -9.961 1.00 0.00 O ATOM 0 H GLY A 45 4.222 0.605 -6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.261 1.696 -9.164 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.987 1.607 -9.449 1.00 0.00 H new ATOM 647 N HIS A 46 4.931 -1.118 -8.653 1.00 0.00 N ATOM 648 CA HIS A 46 4.918 -2.543 -8.901 1.00 0.00 C ATOM 649 C HIS A 46 3.874 -3.245 -8.037 1.00 0.00 C ATOM 650 O HIS A 46 3.708 -2.923 -6.862 1.00 0.00 O ATOM 651 CB HIS A 46 6.304 -3.119 -8.628 1.00 0.00 C ATOM 652 CG HIS A 46 6.747 -2.993 -7.204 1.00 0.00 C ATOM 653 ND1 HIS A 46 6.922 -1.780 -6.573 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.051 -3.940 -6.284 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.315 -1.986 -5.330 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.402 -3.287 -5.130 1.00 0.00 N ATOM 0 H HIS A 46 5.674 -0.809 -8.026 1.00 0.00 H new ATOM 0 HA HIS A 46 4.652 -2.711 -9.945 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.310 -4.173 -8.907 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.028 -2.615 -9.269 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.022 -5.009 -6.432 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.529 -1.219 -4.600 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.685 -3.735 -4.258 1.00 0.00 H new ATOM 665 N ASN A 47 3.178 -4.208 -8.630 1.00 0.00 N ATOM 666 CA ASN A 47 2.151 -4.962 -7.918 1.00 0.00 C ATOM 667 C ASN A 47 2.748 -5.708 -6.727 1.00 0.00 C ATOM 668 O ASN A 47 3.872 -6.206 -6.794 1.00 0.00 O ATOM 669 CB ASN A 47 1.468 -5.951 -8.863 1.00 0.00 C ATOM 670 CG ASN A 47 0.762 -5.262 -10.014 1.00 0.00 C ATOM 671 OD1 ASN A 47 1.382 -4.544 -10.800 1.00 0.00 O ATOM 672 ND2 ASN A 47 -0.545 -5.478 -10.120 1.00 0.00 N ATOM 0 H ASN A 47 3.306 -4.486 -9.603 1.00 0.00 H new ATOM 0 HA ASN A 47 1.410 -4.255 -7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.212 -6.643 -9.259 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.747 -6.545 -8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.074 -5.042 -10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.019 -6.080 -9.447 1.00 0.00 H new ATOM 679 N CYS A 48 1.986 -5.784 -5.641 1.00 0.00 N ATOM 680 CA CYS A 48 2.431 -6.471 -4.433 1.00 0.00 C ATOM 681 C CYS A 48 1.256 -7.147 -3.737 1.00 0.00 C ATOM 682 O CYS A 48 1.162 -7.145 -2.509 1.00 0.00 O ATOM 683 CB CYS A 48 3.100 -5.484 -3.474 1.00 0.00 C ATOM 684 SG CYS A 48 4.575 -4.684 -4.144 1.00 0.00 S ATOM 0 H CYS A 48 1.053 -5.377 -5.572 1.00 0.00 H new ATOM 0 HA CYS A 48 3.155 -7.233 -4.723 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.377 -4.716 -3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.370 -6.011 -2.559 1.00 0.00 H new ATOM 0 HG CYS A 48 4.787 -5.108 -5.354 1.00 0.00 H new ATOM 690 N LEU A 49 0.359 -7.719 -4.532 1.00 0.00 N ATOM 691 CA LEU A 49 -0.817 -8.396 -4.000 1.00 0.00 C ATOM 692 C LEU A 49 -0.435 -9.705 -3.313 1.00 0.00 C ATOM 693 O LEU A 49 -0.941 -10.020 -2.236 1.00 0.00 O ATOM 694 CB LEU A 49 -1.822 -8.661 -5.125 1.00 0.00 C ATOM 695 CG LEU A 49 -3.126 -9.332 -4.691 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.924 -8.410 -3.778 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.948 -9.728 -5.908 1.00 0.00 C ATOM 0 H LEU A 49 0.424 -7.727 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.277 -7.747 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.063 -7.713 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.343 -9.287 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.882 -10.236 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.848 -8.904 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.335 -8.177 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.161 -7.488 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.873 -10.204 -5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.184 -8.839 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.377 -10.425 -6.522 1.00 0.00 H new ATOM 709 N LEU A 50 0.455 -10.466 -3.946 1.00 0.00 N ATOM 710 CA LEU A 50 0.900 -11.746 -3.398 1.00 0.00 C ATOM 711 C LEU A 50 1.465 -11.576 -1.990 1.00 0.00 C ATOM 712 O LEU A 50 1.206 -12.393 -1.106 1.00 0.00 O ATOM 713 CB LEU A 50 1.947 -12.400 -4.310 1.00 0.00 C ATOM 714 CG LEU A 50 3.308 -11.695 -4.388 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.331 -12.596 -5.061 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.199 -10.378 -5.143 1.00 0.00 C ATOM 0 H LEU A 50 0.882 -10.219 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 50 0.029 -12.399 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.109 -13.422 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.534 -12.462 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 50 3.635 -11.481 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.292 -12.083 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.439 -13.516 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.996 -12.836 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.178 -9.900 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.846 -10.568 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.495 -9.722 -4.631 1.00 0.00 H new ATOM 728 N THR A 51 2.235 -10.511 -1.786 1.00 0.00 N ATOM 729 CA THR A 51 2.831 -10.234 -0.483 1.00 0.00 C ATOM 730 C THR A 51 1.814 -9.589 0.451 1.00 0.00 C ATOM 731 O THR A 51 1.830 -9.824 1.661 1.00 0.00 O ATOM 732 CB THR A 51 4.059 -9.309 -0.605 1.00 0.00 C ATOM 733 OG1 THR A 51 3.687 -8.082 -1.243 1.00 0.00 O ATOM 734 CG2 THR A 51 5.174 -9.981 -1.395 1.00 0.00 C ATOM 0 H THR A 51 2.461 -9.825 -2.507 1.00 0.00 H new ATOM 0 HA THR A 51 3.152 -11.191 -0.071 1.00 0.00 H new ATOM 0 HB THR A 51 4.426 -9.100 0.400 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.804 -8.183 -1.656 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.027 -9.307 -1.466 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.477 -10.898 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.817 -10.220 -2.397 1.00 0.00 H new ATOM 742 N ALA A 52 0.931 -8.773 -0.119 1.00 0.00 N ATOM 743 CA ALA A 52 -0.095 -8.088 0.658 1.00 0.00 C ATOM 744 C ALA A 52 -0.981 -9.081 1.402 1.00 0.00 C ATOM 745 O ALA A 52 -1.431 -10.075 0.832 1.00 0.00 O ATOM 746 CB ALA A 52 -0.940 -7.204 -0.247 1.00 0.00 C ATOM 0 H ALA A 52 0.907 -8.571 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 52 0.406 -7.463 1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.702 -6.699 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.303 -6.462 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.421 -7.818 -1.009 1.00 0.00 H new ATOM 752 N GLU A 53 -1.232 -8.802 2.677 1.00 0.00 N ATOM 753 CA GLU A 53 -2.069 -9.665 3.501 1.00 0.00 C ATOM 754 C GLU A 53 -3.193 -8.858 4.145 1.00 0.00 C ATOM 755 O GLU A 53 -2.942 -7.890 4.863 1.00 0.00 O ATOM 756 CB GLU A 53 -1.226 -10.348 4.582 1.00 0.00 C ATOM 757 CG GLU A 53 -2.017 -11.311 5.452 1.00 0.00 C ATOM 758 CD GLU A 53 -1.162 -11.988 6.506 1.00 0.00 C ATOM 759 OE1 GLU A 53 0.053 -11.702 6.561 1.00 0.00 O ATOM 760 OE2 GLU A 53 -1.707 -12.806 7.276 1.00 0.00 O ATOM 0 H GLU A 53 -0.866 -7.983 3.162 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.510 -10.431 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.409 -10.889 4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.776 -9.584 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.828 -10.770 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.476 -12.071 4.820 1.00 0.00 H new ATOM 767 N TRP A 54 -4.431 -9.259 3.878 1.00 0.00 N ATOM 768 CA TRP A 54 -5.595 -8.570 4.425 1.00 0.00 C ATOM 769 C TRP A 54 -5.726 -8.811 5.925 1.00 0.00 C ATOM 770 O TRP A 54 -5.381 -9.882 6.426 1.00 0.00 O ATOM 771 CB TRP A 54 -6.870 -9.030 3.719 1.00 0.00 C ATOM 772 CG TRP A 54 -8.077 -8.233 4.109 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.510 -7.068 3.542 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.989 -8.525 5.172 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.649 -6.630 4.176 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.961 -7.507 5.182 1.00 0.00 C ATOM 777 CE3 TRP A 54 -9.082 -9.555 6.111 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -11.011 -7.490 6.098 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -10.122 -9.537 7.019 1.00 0.00 C ATOM 780 CH2 TRP A 54 -11.075 -8.512 7.007 1.00 0.00 C ATOM 0 H TRP A 54 -4.655 -10.058 3.285 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.455 -7.502 4.257 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.727 -8.958 2.641 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.046 -10.081 3.948 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.028 -6.565 2.717 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.176 -5.790 3.937 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.353 -10.352 6.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.747 -6.700 6.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.201 -10.327 7.751 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.877 -8.528 7.730 1.00 0.00 H new ATOM 791 N MET A 55 -6.238 -7.808 6.633 1.00 0.00 N ATOM 792 CA MET A 55 -6.432 -7.903 8.077 1.00 0.00 C ATOM 793 C MET A 55 -7.628 -7.069 8.528 1.00 0.00 C ATOM 794 O MET A 55 -8.412 -7.502 9.373 1.00 0.00 O ATOM 795 CB MET A 55 -5.176 -7.457 8.823 1.00 0.00 C ATOM 796 CG MET A 55 -4.026 -8.440 8.700 1.00 0.00 C ATOM 797 SD MET A 55 -2.592 -7.967 9.680 1.00 0.00 S ATOM 798 CE MET A 55 -1.573 -9.422 9.472 1.00 0.00 C ATOM 0 H MET A 55 -6.527 -6.917 6.229 1.00 0.00 H new ATOM 0 HA MET A 55 -6.630 -8.948 8.314 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.859 -6.487 8.440 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.417 -7.320 9.877 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.364 -9.428 9.013 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.734 -8.520 7.653 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.639 -9.294 10.019 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.102 -10.294 9.856 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.356 -9.566 8.414 1.00 0.00 H new ATOM 808 N SER A 56 -7.765 -5.872 7.962 1.00 0.00 N ATOM 809 CA SER A 56 -8.868 -4.986 8.311 1.00 0.00 C ATOM 810 C SER A 56 -9.127 -3.982 7.193 1.00 0.00 C ATOM 811 O SER A 56 -8.394 -3.940 6.206 1.00 0.00 O ATOM 812 CB SER A 56 -8.564 -4.248 9.616 1.00 0.00 C ATOM 813 OG SER A 56 -7.379 -3.479 9.503 1.00 0.00 O ATOM 0 H SER A 56 -7.126 -5.496 7.261 1.00 0.00 H new ATOM 0 HA SER A 56 -9.763 -5.593 8.447 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.400 -3.598 9.873 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.458 -4.967 10.428 1.00 0.00 H new ATOM 0 HG SER A 56 -7.208 -3.016 10.349 1.00 0.00 H new ATOM 819 N ALA A 57 -10.177 -3.181 7.352 1.00 0.00 N ATOM 820 CA ALA A 57 -10.536 -2.179 6.354 1.00 0.00 C ATOM 821 C ALA A 57 -9.616 -0.963 6.431 1.00 0.00 C ATOM 822 O ALA A 57 -10.074 0.177 6.330 1.00 0.00 O ATOM 823 CB ALA A 57 -11.987 -1.757 6.533 1.00 0.00 C ATOM 0 H ALA A 57 -10.794 -3.207 8.163 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.415 -2.627 5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.244 -1.009 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.635 -2.625 6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.123 -1.334 7.528 1.00 0.00 H new ATOM 829 N SER A 58 -8.320 -1.210 6.606 1.00 0.00 N ATOM 830 CA SER A 58 -7.339 -0.133 6.696 1.00 0.00 C ATOM 831 C SER A 58 -5.921 -0.689 6.795 1.00 0.00 C ATOM 832 O SER A 58 -4.994 -0.157 6.184 1.00 0.00 O ATOM 833 CB SER A 58 -7.630 0.754 7.909 1.00 0.00 C ATOM 834 OG SER A 58 -6.698 1.818 7.999 1.00 0.00 O ATOM 0 H SER A 58 -7.925 -2.147 6.688 1.00 0.00 H new ATOM 0 HA SER A 58 -7.415 0.464 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.640 1.157 7.835 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.592 0.155 8.819 1.00 0.00 H new ATOM 0 HG SER A 58 -7.143 2.662 7.776 1.00 0.00 H new ATOM 840 N LYS A 59 -5.757 -1.754 7.574 1.00 0.00 N ATOM 841 CA LYS A 59 -4.448 -2.370 7.759 1.00 0.00 C ATOM 842 C LYS A 59 -4.150 -3.376 6.653 1.00 0.00 C ATOM 843 O LYS A 59 -4.987 -4.217 6.323 1.00 0.00 O ATOM 844 CB LYS A 59 -4.377 -3.060 9.122 1.00 0.00 C ATOM 845 CG LYS A 59 -3.012 -3.653 9.440 1.00 0.00 C ATOM 846 CD LYS A 59 -3.001 -4.352 10.792 1.00 0.00 C ATOM 847 CE LYS A 59 -3.268 -3.379 11.932 1.00 0.00 C ATOM 848 NZ LYS A 59 -3.239 -4.055 13.258 1.00 0.00 N ATOM 0 H LYS A 59 -6.513 -2.208 8.086 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.697 -1.581 7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.640 -2.340 9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.124 -3.853 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.734 -4.363 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.262 -2.862 9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.755 -5.139 10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.036 -4.835 10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.522 -2.585 11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.240 -2.907 11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.425 -3.358 14.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.968 -4.796 13.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.303 -4.484 13.409 1.00 0.00 H new ATOM 862 N ILE A 60 -2.945 -3.292 6.094 1.00 0.00 N ATOM 863 CA ILE A 60 -2.523 -4.201 5.032 1.00 0.00 C ATOM 864 C ILE A 60 -1.012 -4.403 5.066 1.00 0.00 C ATOM 865 O ILE A 60 -0.246 -3.466 4.835 1.00 0.00 O ATOM 866 CB ILE A 60 -2.920 -3.672 3.635 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.442 -3.555 3.508 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.361 -4.580 2.547 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.903 -2.995 2.178 1.00 0.00 C ATOM 0 H ILE A 60 -2.242 -2.602 6.360 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.030 -5.150 5.208 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.493 -2.677 3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.886 -4.540 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.816 -2.918 4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.649 -4.195 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.274 -4.609 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.760 -5.587 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.992 -2.942 2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.489 -1.996 2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.560 -3.643 1.372 1.00 0.00 H new ATOM 881 N VAL A 61 -0.586 -5.630 5.350 1.00 0.00 N ATOM 882 CA VAL A 61 0.836 -5.952 5.406 1.00 0.00 C ATOM 883 C VAL A 61 1.392 -6.209 4.010 1.00 0.00 C ATOM 884 O VAL A 61 0.892 -7.066 3.285 1.00 0.00 O ATOM 885 CB VAL A 61 1.098 -7.191 6.285 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.585 -7.513 6.328 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.552 -6.978 7.689 1.00 0.00 C ATOM 0 H VAL A 61 -1.205 -6.417 5.545 1.00 0.00 H new ATOM 0 HA VAL A 61 1.340 -5.091 5.846 1.00 0.00 H new ATOM 0 HB VAL A 61 0.578 -8.041 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.749 -8.391 6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.943 -7.715 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.129 -6.665 6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.747 -7.864 8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.040 -6.115 8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.523 -6.802 7.639 1.00 0.00 H new ATOM 897 N CYS A 62 2.433 -5.467 3.640 1.00 0.00 N ATOM 898 CA CYS A 62 3.055 -5.628 2.329 1.00 0.00 C ATOM 899 C CYS A 62 4.349 -4.825 2.228 1.00 0.00 C ATOM 900 O CYS A 62 4.392 -3.647 2.584 1.00 0.00 O ATOM 901 CB CYS A 62 2.085 -5.201 1.228 1.00 0.00 C ATOM 902 SG CYS A 62 1.462 -3.517 1.408 1.00 0.00 S ATOM 0 H CYS A 62 2.862 -4.751 4.227 1.00 0.00 H new ATOM 0 HA CYS A 62 3.300 -6.682 2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.585 -5.291 0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.241 -5.890 1.215 1.00 0.00 H new ATOM 0 HG CYS A 62 2.368 -2.778 1.977 1.00 0.00 H new ATOM 908 N ARG A 63 5.401 -5.476 1.742 1.00 0.00 N ATOM 909 CA ARG A 63 6.703 -4.835 1.590 1.00 0.00 C ATOM 910 C ARG A 63 6.802 -4.099 0.256 1.00 0.00 C ATOM 911 O ARG A 63 6.326 -4.588 -0.767 1.00 0.00 O ATOM 912 CB ARG A 63 7.816 -5.881 1.688 1.00 0.00 C ATOM 913 CG ARG A 63 7.760 -6.710 2.961 1.00 0.00 C ATOM 914 CD ARG A 63 8.839 -7.780 2.981 1.00 0.00 C ATOM 915 NE ARG A 63 8.739 -8.632 4.163 1.00 0.00 N ATOM 916 CZ ARG A 63 9.552 -9.657 4.406 1.00 0.00 C ATOM 917 NH1 ARG A 63 10.527 -9.951 3.557 1.00 0.00 N ATOM 918 NH2 ARG A 63 9.390 -10.387 5.501 1.00 0.00 N ATOM 0 H ARG A 63 5.377 -6.452 1.445 1.00 0.00 H new ATOM 0 HA ARG A 63 6.817 -4.106 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.754 -6.547 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.782 -5.378 1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.878 -6.057 3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.780 -7.179 3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.759 -8.393 2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.820 -7.306 2.957 1.00 0.00 H new ATOM 0 HE ARG A 63 8.004 -8.430 4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.656 -9.391 2.714 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.148 -10.737 3.746 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.642 -10.163 6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.013 -11.173 5.687 1.00 0.00 H new ATOM 932 N VAL A 64 7.430 -2.924 0.273 1.00 0.00 N ATOM 933 CA VAL A 64 7.600 -2.127 -0.939 1.00 0.00 C ATOM 934 C VAL A 64 8.536 -2.839 -1.925 1.00 0.00 C ATOM 935 O VAL A 64 8.586 -4.068 -1.951 1.00 0.00 O ATOM 936 CB VAL A 64 8.144 -0.721 -0.604 1.00 0.00 C ATOM 937 CG1 VAL A 64 7.167 0.026 0.290 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.508 -0.813 0.063 1.00 0.00 C ATOM 0 H VAL A 64 7.829 -2.504 1.113 1.00 0.00 H new ATOM 0 HA VAL A 64 6.622 -2.012 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 64 8.257 -0.168 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.565 1.015 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.210 0.129 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.024 -0.529 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.871 0.190 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.423 -1.386 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.209 -1.309 -0.609 1.00 0.00 H new ATOM 1052 N GLY A 72 6.939 7.074 -4.304 1.00 0.00 N ATOM 1053 CA GLY A 72 6.477 5.956 -3.503 1.00 0.00 C ATOM 1054 C GLY A 72 5.008 6.058 -3.139 1.00 0.00 C ATOM 1055 O GLY A 72 4.616 5.733 -2.018 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.647 5.029 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.069 5.900 -2.590 1.00 0.00 H new ATOM 1059 N ASP A 73 4.194 6.508 -4.089 1.00 0.00 N ATOM 1060 CA ASP A 73 2.761 6.647 -3.858 1.00 0.00 C ATOM 1061 C ASP A 73 2.102 5.280 -3.693 1.00 0.00 C ATOM 1062 O ASP A 73 2.269 4.396 -4.534 1.00 0.00 O ATOM 1063 CB ASP A 73 2.110 7.404 -5.019 1.00 0.00 C ATOM 1064 CG ASP A 73 2.667 8.805 -5.181 1.00 0.00 C ATOM 1065 OD1 ASP A 73 3.887 8.935 -5.413 1.00 0.00 O ATOM 1066 OD2 ASP A 73 1.884 9.771 -5.075 1.00 0.00 O ATOM 0 H ASP A 73 4.501 6.782 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 73 2.618 7.212 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.262 6.847 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.034 7.461 -4.854 1.00 0.00 H new ATOM 1071 N ILE A 74 1.350 5.112 -2.607 1.00 0.00 N ATOM 1072 CA ILE A 74 0.668 3.850 -2.344 1.00 0.00 C ATOM 1073 C ILE A 74 -0.683 3.810 -3.051 1.00 0.00 C ATOM 1074 O ILE A 74 -1.434 4.783 -3.028 1.00 0.00 O ATOM 1075 CB ILE A 74 0.461 3.619 -0.834 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.805 3.654 -0.104 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.246 2.291 -0.595 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.688 3.495 1.398 1.00 0.00 C ATOM 0 H ILE A 74 1.199 5.831 -1.899 1.00 0.00 H new ATOM 0 HA ILE A 74 1.305 3.055 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.166 4.418 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.442 2.861 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.302 4.599 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.386 2.141 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.217 2.302 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.358 1.479 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.681 3.530 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.079 4.303 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.220 2.538 1.627 1.00 0.00 H new ATOM 1090 N ILE A 75 -0.985 2.679 -3.682 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.244 2.523 -4.400 1.00 0.00 C ATOM 1092 C ILE A 75 -2.901 1.185 -4.075 1.00 0.00 C ATOM 1093 O ILE A 75 -2.230 0.158 -3.974 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.036 2.626 -5.926 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.398 3.970 -6.295 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.358 2.444 -6.660 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.241 5.172 -5.923 1.00 0.00 C ATOM 0 H ILE A 75 -0.377 1.860 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.897 3.332 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.359 1.829 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.430 4.050 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.209 3.989 -7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.191 2.520 -7.734 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.772 1.463 -6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.058 3.218 -6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.722 6.085 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.200 5.118 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.409 5.180 -4.846 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.221 1.209 -3.917 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.982 0.004 -3.611 1.00 0.00 C ATOM 1111 C VAL A 76 -6.315 0.004 -4.354 1.00 0.00 C ATOM 1112 O VAL A 76 -7.116 0.930 -4.217 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.230 -0.133 -2.095 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.902 1.116 -1.553 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -6.065 -1.368 -1.791 1.00 0.00 C ATOM 0 H VAL A 76 -4.787 2.054 -3.996 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.390 -0.849 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.266 -0.249 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.070 1.003 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.262 1.980 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.857 1.263 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.226 -1.443 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.027 -1.291 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.541 -2.257 -2.142 1.00 0.00 H new ATOM 1125 N THR A 77 -6.541 -1.036 -5.148 1.00 0.00 N ATOM 1126 CA THR A 77 -7.770 -1.156 -5.922 1.00 0.00 C ATOM 1127 C THR A 77 -8.833 -1.936 -5.156 1.00 0.00 C ATOM 1128 O THR A 77 -8.524 -2.891 -4.442 1.00 0.00 O ATOM 1129 CB THR A 77 -7.514 -1.845 -7.276 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.457 -1.174 -7.974 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.771 -1.837 -8.134 1.00 0.00 C ATOM 0 H THR A 77 -5.888 -1.809 -5.273 1.00 0.00 H new ATOM 0 HA THR A 77 -8.131 -0.143 -6.101 1.00 0.00 H new ATOM 0 HB THR A 77 -7.228 -2.879 -7.083 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.299 -1.618 -8.833 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.566 -2.329 -9.085 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.569 -2.369 -7.615 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.080 -0.808 -8.317 1.00 0.00 H new ATOM 1139 N THR A 78 -10.087 -1.522 -5.310 1.00 0.00 N ATOM 1140 CA THR A 78 -11.197 -2.181 -4.637 1.00 0.00 C ATOM 1141 C THR A 78 -12.359 -2.413 -5.596 1.00 0.00 C ATOM 1142 O THR A 78 -12.710 -1.535 -6.384 1.00 0.00 O ATOM 1143 CB THR A 78 -11.697 -1.360 -3.435 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.128 -0.064 -3.870 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.604 -1.209 -2.388 1.00 0.00 C ATOM 0 H THR A 78 -10.358 -0.732 -5.896 1.00 0.00 H new ATOM 0 HA THR A 78 -10.823 -3.141 -4.280 1.00 0.00 H new ATOM 0 HB THR A 78 -12.537 -1.891 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.446 0.451 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.982 -0.625 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.299 -2.194 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.747 -0.699 -2.828 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.945 -3.603 -5.525 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.064 -3.963 -6.389 1.00 0.00 C ATOM 1155 C LYS A 79 -15.223 -2.985 -6.226 1.00 0.00 C ATOM 1156 O LYS A 79 -15.780 -2.501 -7.211 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.527 -5.386 -6.077 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.446 -6.432 -6.301 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.920 -7.827 -5.920 1.00 0.00 C ATOM 1160 CE LYS A 79 -15.093 -8.277 -6.778 1.00 0.00 C ATOM 1161 NZ LYS A 79 -14.749 -8.296 -8.227 1.00 0.00 N ATOM 0 H LYS A 79 -12.663 -4.337 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.725 -3.914 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.860 -5.433 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.389 -5.625 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.145 -6.424 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.564 -6.175 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.097 -8.533 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.212 -7.838 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.409 -9.273 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.939 -7.609 -6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.485 -8.810 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.687 -7.320 -8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.834 -8.771 -8.360 1.00 0.00 H new ATOM 1175 N SER A 80 -15.581 -2.698 -4.978 1.00 0.00 N ATOM 1176 CA SER A 80 -16.674 -1.776 -4.693 1.00 0.00 C ATOM 1177 C SER A 80 -16.330 -0.368 -5.173 1.00 0.00 C ATOM 1178 O SER A 80 -17.073 0.235 -5.947 1.00 0.00 O ATOM 1179 CB SER A 80 -16.974 -1.759 -3.194 1.00 0.00 C ATOM 1180 OG SER A 80 -15.853 -1.305 -2.455 1.00 0.00 O ATOM 0 H SER A 80 -15.131 -3.090 -4.150 1.00 0.00 H new ATOM 0 HA SER A 80 -17.560 -2.118 -5.228 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.829 -1.112 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.250 -2.760 -2.864 1.00 0.00 H new ATOM 0 HG SER A 80 -16.071 -1.302 -1.499 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.193 0.144 -4.712 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.756 1.471 -5.104 1.00 0.00 C ATOM 1188 C GLY A 81 -13.960 1.460 -6.394 1.00 0.00 C ATOM 1189 O GLY A 81 -14.440 0.987 -7.425 1.00 0.00 O ATOM 0 H GLY A 81 -14.564 -0.340 -4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.626 2.117 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.147 1.900 -4.308 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.739 1.981 -6.331 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.879 2.024 -7.500 1.00 0.00 C ATOM 1195 C GLY A 82 -10.432 2.283 -7.131 1.00 0.00 C ATOM 1196 O GLY A 82 -9.931 1.736 -6.148 1.00 0.00 O ATOM 0 H GLY A 82 -12.328 2.377 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.952 1.079 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.226 2.805 -8.177 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.756 3.118 -7.913 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.359 3.444 -7.648 1.00 0.00 C ATOM 1202 C LYS A 83 -8.212 4.141 -6.299 1.00 0.00 C ATOM 1203 O LYS A 83 -8.880 5.139 -6.029 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.799 4.335 -8.759 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.356 4.759 -8.531 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.841 5.662 -9.646 1.00 0.00 C ATOM 1207 CE LYS A 83 -5.648 4.904 -10.954 1.00 0.00 C ATOM 1208 NZ LYS A 83 -6.937 4.428 -11.527 1.00 0.00 N ATOM 0 H LYS A 83 -10.151 3.580 -8.732 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.793 2.513 -7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.867 3.804 -9.708 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.421 5.226 -8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.278 5.281 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.725 3.873 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.543 6.481 -9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.894 6.108 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.149 5.551 -11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.992 4.051 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.899 4.488 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.100 3.441 -11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.714 5.022 -11.174 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.336 3.604 -5.457 1.00 0.00 N ATOM 1223 CA GLY A 84 -7.116 4.183 -4.145 1.00 0.00 C ATOM 1224 C GLY A 84 -6.167 5.365 -4.176 1.00 0.00 C ATOM 1225 O GLY A 84 -5.115 5.306 -4.811 1.00 0.00 O ATOM 0 H GLY A 84 -6.774 2.777 -5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.072 4.501 -3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.716 3.419 -3.478 1.00 0.00 H new ATOM 1229 N THR A 85 -6.536 6.435 -3.480 1.00 0.00 N ATOM 1230 CA THR A 85 -5.708 7.633 -3.419 1.00 0.00 C ATOM 1231 C THR A 85 -4.902 7.665 -2.126 1.00 0.00 C ATOM 1232 O THR A 85 -5.371 7.204 -1.084 1.00 0.00 O ATOM 1233 CB THR A 85 -6.556 8.915 -3.514 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.486 8.969 -2.427 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.310 8.967 -4.836 1.00 0.00 C ATOM 0 H THR A 85 -7.405 6.497 -2.949 1.00 0.00 H new ATOM 0 HA THR A 85 -5.032 7.597 -4.273 1.00 0.00 H new ATOM 0 HB THR A 85 -5.886 9.773 -3.461 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.020 9.788 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.902 9.881 -4.881 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.598 8.955 -5.662 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.970 8.103 -4.913 1.00 0.00 H new ATOM 1243 N SER A 86 -3.687 8.200 -2.194 1.00 0.00 N ATOM 1244 CA SER A 86 -2.822 8.274 -1.021 1.00 0.00 C ATOM 1245 C SER A 86 -2.038 9.580 -0.992 1.00 0.00 C ATOM 1246 O SER A 86 -1.285 9.884 -1.917 1.00 0.00 O ATOM 1247 CB SER A 86 -1.845 7.098 -1.018 1.00 0.00 C ATOM 1248 OG SER A 86 -1.006 7.135 -2.159 1.00 0.00 O ATOM 0 H SER A 86 -3.280 8.587 -3.045 1.00 0.00 H new ATOM 0 HA SER A 86 -3.456 8.232 -0.136 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.237 7.127 -0.114 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.399 6.160 -0.999 1.00 0.00 H new ATOM 0 HG SER A 86 -1.205 6.368 -2.736 1.00 0.00 H new ATOM 1254 N THR A 87 -2.207 10.343 0.084 1.00 0.00 N ATOM 1255 CA THR A 87 -1.500 11.606 0.241 1.00 0.00 C ATOM 1256 C THR A 87 -0.205 11.397 1.017 1.00 0.00 C ATOM 1257 O THR A 87 0.232 12.269 1.769 1.00 0.00 O ATOM 1258 CB THR A 87 -2.366 12.652 0.970 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.701 12.185 2.282 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.641 12.936 0.189 1.00 0.00 C ATOM 0 H THR A 87 -2.827 10.107 0.859 1.00 0.00 H new ATOM 0 HA THR A 87 -1.274 11.979 -0.758 1.00 0.00 H new ATOM 0 HB THR A 87 -1.791 13.575 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.250 12.857 2.738 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.237 13.677 0.722 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.385 13.319 -0.799 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.216 12.016 0.084 1.00 0.00 H new ATOM 1268 N VAL A 88 0.400 10.227 0.826 1.00 0.00 N ATOM 1269 CA VAL A 88 1.646 9.873 1.499 1.00 0.00 C ATOM 1270 C VAL A 88 2.461 8.910 0.646 1.00 0.00 C ATOM 1271 O VAL A 88 1.906 8.136 -0.133 1.00 0.00 O ATOM 1272 CB VAL A 88 1.388 9.222 2.876 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.726 10.207 3.827 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.541 7.967 2.725 1.00 0.00 C ATOM 0 H VAL A 88 0.043 9.502 0.204 1.00 0.00 H new ATOM 0 HA VAL A 88 2.200 10.800 1.647 1.00 0.00 H new ATOM 0 HB VAL A 88 2.350 8.937 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.555 9.725 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.375 11.072 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.227 10.532 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.370 7.523 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.416 8.226 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.061 7.251 2.088 1.00 0.00 H new ATOM 1284 N SER A 89 3.781 8.965 0.792 1.00 0.00 N ATOM 1285 CA SER A 89 4.667 8.097 0.024 1.00 0.00 C ATOM 1286 C SER A 89 5.858 7.645 0.861 1.00 0.00 C ATOM 1287 O SER A 89 6.483 8.445 1.557 1.00 0.00 O ATOM 1288 CB SER A 89 5.158 8.822 -1.229 1.00 0.00 C ATOM 1289 OG SER A 89 5.879 9.993 -0.889 1.00 0.00 O ATOM 0 H SER A 89 4.259 9.599 1.432 1.00 0.00 H new ATOM 0 HA SER A 89 4.100 7.213 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.793 8.156 -1.813 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.308 9.084 -1.858 1.00 0.00 H new ATOM 0 HG SER A 89 6.184 10.438 -1.707 1.00 0.00 H new ATOM 1295 N PHE A 90 6.165 6.355 0.782 1.00 0.00 N ATOM 1296 CA PHE A 90 7.281 5.784 1.526 1.00 0.00 C ATOM 1297 C PHE A 90 8.586 5.942 0.752 1.00 0.00 C ATOM 1298 O PHE A 90 8.672 5.564 -0.417 1.00 0.00 O ATOM 1299 CB PHE A 90 7.023 4.302 1.807 1.00 0.00 C ATOM 1300 CG PHE A 90 8.163 3.613 2.505 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.537 3.983 3.787 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.857 2.592 1.877 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.584 3.347 4.426 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.904 1.954 2.511 1.00 0.00 C ATOM 1305 CZ PHE A 90 10.269 2.331 3.788 1.00 0.00 C ATOM 0 H PHE A 90 5.655 5.683 0.208 1.00 0.00 H new ATOM 0 HA PHE A 90 7.370 6.320 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.125 4.208 2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.824 3.792 0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.005 4.776 4.291 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.575 2.291 0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.867 3.644 5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.437 1.161 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.087 1.833 4.287 1.00 0.00 H new ATOM 1315 N LYS A 91 9.600 6.492 1.411 1.00 0.00 N ATOM 1316 CA LYS A 91 10.901 6.687 0.781 1.00 0.00 C ATOM 1317 C LYS A 91 11.744 5.421 0.890 1.00 0.00 C ATOM 1318 O LYS A 91 12.022 4.944 1.991 1.00 0.00 O ATOM 1319 CB LYS A 91 11.635 7.862 1.431 1.00 0.00 C ATOM 1320 CG LYS A 91 12.978 8.171 0.790 1.00 0.00 C ATOM 1321 CD LYS A 91 13.671 9.333 1.482 1.00 0.00 C ATOM 1322 CE LYS A 91 15.009 9.646 0.834 1.00 0.00 C ATOM 1323 NZ LYS A 91 14.857 10.036 -0.593 1.00 0.00 N ATOM 0 H LYS A 91 9.547 6.810 2.379 1.00 0.00 H new ATOM 0 HA LYS A 91 10.741 6.910 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.003 8.749 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.788 7.644 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.615 7.288 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.833 8.408 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.031 10.215 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.822 9.094 2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.497 10.453 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.659 8.774 0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.742 10.465 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.641 9.193 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.082 10.723 -0.684 1.00 0.00 H new ATOM 1337 N LEU A 92 12.148 4.879 -0.255 1.00 0.00 N ATOM 1338 CA LEU A 92 12.960 3.666 -0.277 1.00 0.00 C ATOM 1339 C LEU A 92 14.447 3.995 -0.242 1.00 0.00 C ATOM 1340 O LEU A 92 14.938 4.788 -1.047 1.00 0.00 O ATOM 1341 CB LEU A 92 12.645 2.821 -1.514 1.00 0.00 C ATOM 1342 CG LEU A 92 11.263 2.163 -1.527 1.00 0.00 C ATOM 1343 CD1 LEU A 92 10.165 3.202 -1.694 1.00 0.00 C ATOM 1344 CD2 LEU A 92 11.186 1.119 -2.630 1.00 0.00 C ATOM 0 H LEU A 92 11.928 5.258 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 92 12.712 3.092 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.736 3.453 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.401 2.041 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 92 11.112 1.668 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.194 2.707 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.206 3.911 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.307 3.734 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.198 0.659 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.362 1.595 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.943 0.353 -2.460 1.00 0.00 H new ATOM 1356 N LEU A 93 15.159 3.373 0.691 1.00 0.00 N ATOM 1357 CA LEU A 93 16.594 3.586 0.832 1.00 0.00 C ATOM 1358 C LEU A 93 17.371 2.666 -0.104 1.00 0.00 C ATOM 1359 O LEU A 93 17.001 1.507 -0.295 1.00 0.00 O ATOM 1360 CB LEU A 93 17.024 3.349 2.281 1.00 0.00 C ATOM 1361 CG LEU A 93 16.328 4.231 3.320 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.835 3.910 4.717 1.00 0.00 C ATOM 1363 CD2 LEU A 93 16.539 5.704 3.001 1.00 0.00 C ATOM 0 H LEU A 93 14.764 2.715 1.363 1.00 0.00 H new ATOM 0 HA LEU A 93 16.816 4.618 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.839 2.305 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 93 18.100 3.508 2.355 1.00 0.00 H new ATOM 0 HG LEU A 93 15.259 4.023 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 93 16.329 4.547 5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 93 16.631 2.864 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.909 4.089 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.036 6.314 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.606 5.928 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.126 5.926 2.017 1.00 0.00 H new ATOM 1375 N LYS A 94 18.449 3.185 -0.684 1.00 0.00 N ATOM 1376 CA LYS A 94 19.276 2.403 -1.597 1.00 0.00 C ATOM 1377 C LYS A 94 19.908 1.214 -0.876 1.00 0.00 C ATOM 1378 O LYS A 94 20.433 1.359 0.227 1.00 0.00 O ATOM 1379 CB LYS A 94 20.374 3.273 -2.220 1.00 0.00 C ATOM 1380 CG LYS A 94 19.875 4.250 -3.280 1.00 0.00 C ATOM 1381 CD LYS A 94 18.947 5.311 -2.701 1.00 0.00 C ATOM 1382 CE LYS A 94 19.652 6.168 -1.660 1.00 0.00 C ATOM 1383 NZ LYS A 94 20.834 6.874 -2.228 1.00 0.00 N ATOM 0 H LYS A 94 18.770 4.142 -0.538 1.00 0.00 H new ATOM 0 HA LYS A 94 18.629 2.030 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.869 3.836 -1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.126 2.623 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.728 4.736 -3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.350 3.699 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 94 18.575 5.947 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.080 4.829 -2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 94 18.951 6.900 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.970 5.540 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 21.163 7.596 -1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.597 6.189 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.568 7.331 -3.124 1.00 0.00 H new ATOM 1397 N PRO A 95 19.865 0.017 -1.493 1.00 0.00 N ATOM 1398 CA PRO A 95 20.437 -1.199 -0.899 1.00 0.00 C ATOM 1399 C PRO A 95 21.907 -1.036 -0.536 1.00 0.00 C ATOM 1400 O PRO A 95 22.703 -0.552 -1.342 1.00 0.00 O ATOM 1401 CB PRO A 95 20.289 -2.243 -2.008 1.00 0.00 C ATOM 1402 CG PRO A 95 19.166 -1.749 -2.850 1.00 0.00 C ATOM 1403 CD PRO A 95 19.254 -0.249 -2.809 1.00 0.00 C ATOM 0 HA PRO A 95 19.936 -1.463 0.032 1.00 0.00 H new ATOM 0 HB2 PRO A 95 21.207 -2.336 -2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 95 20.071 -3.228 -1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.252 -2.118 -3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 95 18.207 -2.095 -2.465 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.865 0.141 -3.623 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.272 0.215 -2.898 1.00 0.00 H new