USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 579 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 58 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Set 1.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -0.662 X(o=-0.66,f=-0.91) USER MOD Single : A 1 ASN N :NH3+ 168:sc= 0 (180deg=-0.125) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.14 USER MOD Single : A 9 SER OG : rot -89:sc= 0.612 USER MOD Single : A 12 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.13) USER MOD Single : A 16 LYS NZ :NH3+ -106:sc= -0.2 (180deg=-1.35) USER MOD Single : A 18 ASN :FLIP amide:sc= -2.29! C(o=-3.9!,f=-2.3!) USER MOD Single : A 24 GLN : amide:sc= -0.005 X(o=-0.005,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-4.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0465 USER MOD Single : A 41 THR OG1 : rot 65:sc= 2.06 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 150:sc= -0.345 USER MOD Single : A 45 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.034) USER MOD Single : A 49 GLN : amide:sc= -4.17! C(o=-4.2!,f=-4.8!) USER MOD Single : A 52 THR OG1 : rot 64:sc= -0.191 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HE2:sc= -2.67 K(o=-2.7,f=-8.9!) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.59 F(o=-2.7!,f=-1.6) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0.358 K(o=0.36,f=-2.1!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.812 -10.167 -3.123 1.00 0.00 N ATOM 2 CA ASN A 1 -13.213 -8.863 -3.730 1.00 0.00 C ATOM 3 C ASN A 1 -12.175 -8.451 -4.782 1.00 0.00 C ATOM 4 O ASN A 1 -11.788 -7.282 -4.869 1.00 0.00 O ATOM 5 CB ASN A 1 -13.335 -7.803 -2.608 1.00 0.00 C ATOM 6 CG ASN A 1 -13.871 -6.475 -3.166 1.00 0.00 C ATOM 7 OD1 ASN A 1 -14.831 -6.473 -3.935 1.00 0.00 O ATOM 8 ND2 ASN A 1 -13.309 -5.349 -2.818 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.391 -10.350 -2.279 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.957 -10.931 -3.814 1.00 0.00 H new ATOM 0 H3 ASN A 1 -11.808 -10.130 -2.853 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.179 -8.952 -4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -14.001 -8.169 -1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.361 -7.642 -2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -13.666 -4.466 -3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -12.513 -5.352 -2.180 1.00 0.00 H new ATOM 17 N THR A 2 -11.737 -9.428 -5.589 1.00 0.00 N ATOM 18 CA THR A 2 -10.744 -9.184 -6.648 1.00 0.00 C ATOM 19 C THR A 2 -11.282 -8.177 -7.672 1.00 0.00 C ATOM 20 O THR A 2 -10.535 -7.685 -8.517 1.00 0.00 O ATOM 21 CB THR A 2 -10.390 -10.515 -7.358 1.00 0.00 C ATOM 22 OG1 THR A 2 -11.549 -11.017 -8.008 1.00 0.00 O ATOM 23 CG2 THR A 2 -9.893 -11.564 -6.338 1.00 0.00 C ATOM 0 H THR A 2 -12.054 -10.396 -5.529 1.00 0.00 H new ATOM 0 HA THR A 2 -9.846 -8.769 -6.190 1.00 0.00 H new ATOM 0 HB THR A 2 -9.598 -10.325 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.332 -11.858 -8.461 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.650 -12.491 -6.858 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.003 -11.187 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.674 -11.755 -5.602 1.00 0.00 H new ATOM 31 N VAL A 3 -12.583 -7.865 -7.572 1.00 0.00 N ATOM 32 CA VAL A 3 -13.223 -6.899 -8.480 1.00 0.00 C ATOM 33 C VAL A 3 -12.606 -5.506 -8.279 1.00 0.00 C ATOM 34 O VAL A 3 -12.298 -4.809 -9.250 1.00 0.00 O ATOM 35 CB VAL A 3 -14.761 -6.860 -8.208 1.00 0.00 C ATOM 36 CG1 VAL A 3 -15.480 -5.880 -9.190 1.00 0.00 C ATOM 37 CG2 VAL A 3 -15.355 -8.289 -8.376 1.00 0.00 C ATOM 0 H VAL A 3 -13.211 -8.265 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 3 -13.057 -7.207 -9.512 1.00 0.00 H new ATOM 0 HB VAL A 3 -14.921 -6.507 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -16.549 -5.872 -8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -15.077 -4.875 -9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -15.316 -6.208 -10.216 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -16.428 -8.262 -8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -15.175 -8.641 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -14.878 -8.967 -7.668 1.00 0.00 H new ATOM 47 N ASP A 4 -12.431 -5.110 -7.008 1.00 0.00 N ATOM 48 CA ASP A 4 -11.856 -3.798 -6.678 1.00 0.00 C ATOM 49 C ASP A 4 -10.333 -3.844 -6.870 1.00 0.00 C ATOM 50 O ASP A 4 -9.644 -4.619 -6.206 1.00 0.00 O ATOM 51 CB ASP A 4 -12.196 -3.431 -5.210 1.00 0.00 C ATOM 52 CG ASP A 4 -11.656 -2.035 -4.852 1.00 0.00 C ATOM 53 OD1 ASP A 4 -12.370 -1.070 -5.072 1.00 0.00 O ATOM 54 OD2 ASP A 4 -10.539 -1.959 -4.368 1.00 0.00 O ATOM 0 H ASP A 4 -12.678 -5.677 -6.197 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.278 -3.040 -7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -13.276 -3.455 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.768 -4.174 -4.537 1.00 0.00 H new ATOM 59 N ASP A 5 -9.817 -3.008 -7.779 1.00 0.00 N ATOM 60 CA ASP A 5 -8.379 -2.954 -8.054 1.00 0.00 C ATOM 61 C ASP A 5 -7.660 -2.281 -6.876 1.00 0.00 C ATOM 62 O ASP A 5 -7.397 -1.084 -6.900 1.00 0.00 O ATOM 63 CB ASP A 5 -8.153 -2.159 -9.366 1.00 0.00 C ATOM 64 CG ASP A 5 -8.859 -2.850 -10.544 1.00 0.00 C ATOM 65 OD1 ASP A 5 -8.874 -4.072 -10.569 1.00 0.00 O ATOM 66 OD2 ASP A 5 -9.373 -2.147 -11.400 1.00 0.00 O ATOM 0 H ASP A 5 -10.375 -2.360 -8.336 1.00 0.00 H new ATOM 0 HA ASP A 5 -7.975 -3.959 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.532 -1.143 -9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.085 -2.080 -9.570 1.00 0.00 H new ATOM 71 N ILE A 6 -7.347 -3.070 -5.837 1.00 0.00 N ATOM 72 CA ILE A 6 -6.659 -2.548 -4.638 1.00 0.00 C ATOM 73 C ILE A 6 -5.287 -1.975 -5.026 1.00 0.00 C ATOM 74 O ILE A 6 -4.829 -0.989 -4.451 1.00 0.00 O ATOM 75 CB ILE A 6 -6.517 -3.685 -3.574 1.00 0.00 C ATOM 76 CG1 ILE A 6 -5.815 -3.148 -2.273 1.00 0.00 C ATOM 77 CG2 ILE A 6 -5.709 -4.881 -4.159 1.00 0.00 C ATOM 78 CD1 ILE A 6 -5.836 -4.204 -1.150 1.00 0.00 C ATOM 0 H ILE A 6 -7.557 -4.068 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.249 -1.742 -4.201 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.518 -4.029 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.784 -2.875 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.317 -2.242 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.620 -5.663 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.226 -5.277 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.715 -4.541 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.343 -3.803 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.868 -4.457 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.311 -5.100 -1.483 1.00 0.00 H new ATOM 90 N SER A 7 -4.648 -2.611 -6.010 1.00 0.00 N ATOM 91 CA SER A 7 -3.329 -2.184 -6.492 1.00 0.00 C ATOM 92 C SER A 7 -3.401 -0.790 -7.119 1.00 0.00 C ATOM 93 O SER A 7 -2.371 -0.146 -7.315 1.00 0.00 O ATOM 94 CB SER A 7 -2.822 -3.189 -7.543 1.00 0.00 C ATOM 95 OG SER A 7 -3.692 -3.163 -8.668 1.00 0.00 O ATOM 0 H SER A 7 -5.023 -3.428 -6.492 1.00 0.00 H new ATOM 0 HA SER A 7 -2.645 -2.148 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.806 -2.935 -7.847 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.786 -4.192 -7.118 1.00 0.00 H new ATOM 0 HG SER A 7 -3.374 -3.799 -9.342 1.00 0.00 H new ATOM 101 N GLU A 8 -4.624 -0.315 -7.417 1.00 0.00 N ATOM 102 CA GLU A 8 -4.811 1.019 -8.010 1.00 0.00 C ATOM 103 C GLU A 8 -4.492 2.102 -6.977 1.00 0.00 C ATOM 104 O GLU A 8 -3.944 3.146 -7.321 1.00 0.00 O ATOM 105 CB GLU A 8 -6.270 1.173 -8.523 1.00 0.00 C ATOM 106 CG GLU A 8 -6.437 2.473 -9.362 1.00 0.00 C ATOM 107 CD GLU A 8 -7.881 2.615 -9.853 1.00 0.00 C ATOM 108 OE1 GLU A 8 -8.709 3.044 -9.068 1.00 0.00 O ATOM 109 OE2 GLU A 8 -8.136 2.297 -11.005 1.00 0.00 O ATOM 0 H GLU A 8 -5.490 -0.831 -7.258 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.130 1.131 -8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.538 0.308 -9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.956 1.193 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.165 3.339 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.758 2.452 -10.214 1.00 0.00 H new ATOM 116 N SER A 9 -4.861 1.852 -5.709 1.00 0.00 N ATOM 117 CA SER A 9 -4.622 2.826 -4.627 1.00 0.00 C ATOM 118 C SER A 9 -3.123 3.114 -4.473 1.00 0.00 C ATOM 119 O SER A 9 -2.717 4.275 -4.402 1.00 0.00 O ATOM 120 CB SER A 9 -5.195 2.281 -3.302 1.00 0.00 C ATOM 121 OG SER A 9 -4.558 1.052 -2.990 1.00 0.00 O ATOM 0 H SER A 9 -5.322 0.993 -5.409 1.00 0.00 H new ATOM 0 HA SER A 9 -5.124 3.759 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.036 3.001 -2.499 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.272 2.135 -3.390 1.00 0.00 H new ATOM 0 HG SER A 9 -5.052 0.313 -3.404 1.00 0.00 H new ATOM 127 N LEU A 10 -2.297 2.054 -4.422 1.00 0.00 N ATOM 128 CA LEU A 10 -0.839 2.230 -4.280 1.00 0.00 C ATOM 129 C LEU A 10 -0.244 2.954 -5.503 1.00 0.00 C ATOM 130 O LEU A 10 0.587 3.853 -5.353 1.00 0.00 O ATOM 131 CB LEU A 10 -0.172 0.816 -4.130 1.00 0.00 C ATOM 132 CG LEU A 10 -0.317 0.252 -2.672 1.00 0.00 C ATOM 133 CD1 LEU A 10 0.474 1.125 -1.624 1.00 0.00 C ATOM 134 CD2 LEU A 10 -1.826 0.149 -2.279 1.00 0.00 C ATOM 0 H LEU A 10 -2.605 1.083 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.642 2.840 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.630 0.122 -4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.884 0.884 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 10 0.121 -0.746 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.348 0.701 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.533 1.134 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.089 2.145 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.912 -0.243 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.282 1.138 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.338 -0.519 -2.972 1.00 0.00 H new ATOM 146 N ARG A 11 -0.663 2.551 -6.708 1.00 0.00 N ATOM 147 CA ARG A 11 -0.144 3.152 -7.950 1.00 0.00 C ATOM 148 C ARG A 11 -0.671 4.575 -8.133 1.00 0.00 C ATOM 149 O ARG A 11 0.103 5.513 -8.342 1.00 0.00 O ATOM 150 CB ARG A 11 -0.573 2.271 -9.154 1.00 0.00 C ATOM 151 CG ARG A 11 0.128 0.882 -9.097 1.00 0.00 C ATOM 152 CD ARG A 11 -0.361 -0.021 -10.252 1.00 0.00 C ATOM 153 NE ARG A 11 -1.793 -0.310 -10.086 1.00 0.00 N ATOM 154 CZ ARG A 11 -2.481 -1.049 -10.969 1.00 0.00 C ATOM 155 NH1 ARG A 11 -1.890 -1.551 -12.024 1.00 0.00 N ATOM 156 NH2 ARG A 11 -3.752 -1.267 -10.776 1.00 0.00 N ATOM 0 H ARG A 11 -1.355 1.816 -6.853 1.00 0.00 H new ATOM 0 HA ARG A 11 0.943 3.201 -7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.655 2.138 -9.147 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.320 2.774 -10.087 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.208 1.011 -9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.080 0.403 -8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.189 0.472 -11.209 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.208 -0.951 -10.265 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.280 0.064 -9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.896 -1.382 -12.181 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.423 -2.112 -12.689 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.218 -0.876 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.280 -1.828 -11.444 1.00 0.00 H new ATOM 170 N GLN A 12 -1.997 4.726 -8.075 1.00 0.00 N ATOM 171 CA GLN A 12 -2.642 6.032 -8.259 1.00 0.00 C ATOM 172 C GLN A 12 -2.556 6.860 -6.971 1.00 0.00 C ATOM 173 O GLN A 12 -2.672 6.318 -5.873 1.00 0.00 O ATOM 174 CB GLN A 12 -4.135 5.824 -8.668 1.00 0.00 C ATOM 175 CG GLN A 12 -4.751 7.132 -9.263 1.00 0.00 C ATOM 176 CD GLN A 12 -4.114 7.456 -10.623 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.558 8.538 -10.813 1.00 0.00 O ATOM 178 NE2 GLN A 12 -4.151 6.558 -11.571 1.00 0.00 N ATOM 0 H GLN A 12 -2.647 3.959 -7.902 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.124 6.575 -9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.204 5.021 -9.402 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.712 5.511 -7.798 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.828 7.014 -9.378 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.593 7.962 -8.574 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.613 5.663 -11.408 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.718 6.752 -12.474 1.00 0.00 H new ATOM 187 N GLY A 13 -2.367 8.177 -7.119 1.00 0.00 N ATOM 188 CA GLY A 13 -2.278 9.082 -5.973 1.00 0.00 C ATOM 189 C GLY A 13 -0.993 8.844 -5.204 1.00 0.00 C ATOM 190 O GLY A 13 -0.881 9.246 -4.043 1.00 0.00 O ATOM 0 H GLY A 13 -2.273 8.638 -8.024 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.317 10.116 -6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.135 8.931 -5.316 1.00 0.00 H new ATOM 194 N GLY A 14 -0.018 8.180 -5.853 1.00 0.00 N ATOM 195 CA GLY A 14 1.269 7.886 -5.210 1.00 0.00 C ATOM 196 C GLY A 14 2.001 9.185 -4.854 1.00 0.00 C ATOM 197 O GLY A 14 1.512 9.939 -4.026 1.00 0.00 O ATOM 0 H GLY A 14 -0.099 7.842 -6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.105 7.295 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.887 7.285 -5.877 1.00 0.00 H new ATOM 201 N GLY A 15 3.164 9.436 -5.479 1.00 0.00 N ATOM 202 CA GLY A 15 3.970 10.648 -5.215 1.00 0.00 C ATOM 203 C GLY A 15 4.227 10.842 -3.718 1.00 0.00 C ATOM 204 O GLY A 15 5.317 10.536 -3.232 1.00 0.00 O ATOM 0 H GLY A 15 3.572 8.813 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.922 10.574 -5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.454 11.522 -5.612 1.00 0.00 H new ATOM 208 N LYS A 16 3.185 11.295 -2.988 1.00 0.00 N ATOM 209 CA LYS A 16 3.234 11.474 -1.528 1.00 0.00 C ATOM 210 C LYS A 16 2.149 10.604 -0.900 1.00 0.00 C ATOM 211 O LYS A 16 0.990 10.672 -1.315 1.00 0.00 O ATOM 212 CB LYS A 16 2.980 12.952 -1.130 1.00 0.00 C ATOM 213 CG LYS A 16 3.383 13.201 0.355 1.00 0.00 C ATOM 214 CD LYS A 16 3.193 14.695 0.732 1.00 0.00 C ATOM 215 CE LYS A 16 3.630 14.932 2.197 1.00 0.00 C ATOM 216 NZ LYS A 16 5.066 14.547 2.344 1.00 0.00 N ATOM 0 H LYS A 16 2.286 11.546 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 16 4.225 11.189 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.551 13.613 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.927 13.196 -1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.778 12.575 1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.423 12.911 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.779 15.325 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.149 14.980 0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.491 15.979 2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.011 14.344 2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.133 13.646 2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.495 14.441 1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.571 15.286 2.873 1.00 0.00 H new ATOM 230 N LEU A 17 2.518 9.820 0.102 1.00 0.00 N ATOM 231 CA LEU A 17 1.566 8.943 0.813 1.00 0.00 C ATOM 232 C LEU A 17 1.989 8.800 2.279 1.00 0.00 C ATOM 233 O LEU A 17 3.122 8.483 2.575 1.00 0.00 O ATOM 234 CB LEU A 17 1.514 7.528 0.126 1.00 0.00 C ATOM 235 CG LEU A 17 0.355 7.416 -0.928 1.00 0.00 C ATOM 236 CD1 LEU A 17 0.483 6.073 -1.701 1.00 0.00 C ATOM 237 CD2 LEU A 17 -1.067 7.512 -0.231 1.00 0.00 C ATOM 0 H LEU A 17 3.475 9.765 0.452 1.00 0.00 H new ATOM 0 HA LEU A 17 0.572 9.389 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.467 7.330 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.382 6.761 0.889 1.00 0.00 H new ATOM 0 HG LEU A 17 0.442 8.249 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.322 5.996 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.444 6.039 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.416 5.242 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.849 7.431 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.174 6.702 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.156 8.469 0.283 1.00 0.00 H new ATOM 249 N ASN A 18 1.042 9.005 3.181 1.00 0.00 N ATOM 250 CA ASN A 18 1.261 8.869 4.627 1.00 0.00 C ATOM 251 C ASN A 18 0.169 7.959 5.171 1.00 0.00 C ATOM 252 O ASN A 18 -0.953 7.994 4.673 1.00 0.00 O ATOM 253 CB ASN A 18 1.189 10.266 5.286 1.00 0.00 C ATOM 254 CG ASN A 18 1.115 10.158 6.817 1.00 0.00 C ATOM 255 OD1 ASN A 18 -0.055 10.182 7.394 1.00 0.00 O flip ATOM 256 ND2 ASN A 18 2.140 10.032 7.484 1.00 0.00 N flip ATOM 0 H ASN A 18 0.089 9.273 2.936 1.00 0.00 H new ATOM 0 HA ASN A 18 2.240 8.442 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.065 10.850 5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.315 10.801 4.914 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.050 10.014 7.023 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.081 9.945 8.499 1.00 0.00 H new ATOM 263 N PHE A 19 0.541 7.089 6.135 1.00 0.00 N ATOM 264 CA PHE A 19 -0.370 6.088 6.735 1.00 0.00 C ATOM 265 C PHE A 19 -1.837 6.571 6.761 1.00 0.00 C ATOM 266 O PHE A 19 -2.734 5.791 6.553 1.00 0.00 O ATOM 267 CB PHE A 19 0.105 5.782 8.178 1.00 0.00 C ATOM 268 CG PHE A 19 0.024 7.058 9.032 1.00 0.00 C ATOM 269 CD1 PHE A 19 -1.169 7.375 9.721 1.00 0.00 C ATOM 270 CD2 PHE A 19 1.131 7.928 9.130 1.00 0.00 C ATOM 271 CE1 PHE A 19 -1.245 8.537 10.500 1.00 0.00 C ATOM 272 CE2 PHE A 19 1.046 9.089 9.909 1.00 0.00 C ATOM 273 CZ PHE A 19 -0.139 9.392 10.595 1.00 0.00 C ATOM 0 H PHE A 19 1.485 7.061 6.521 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.338 5.189 6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.514 4.999 8.617 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.129 5.408 8.163 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.024 6.720 9.647 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.045 7.698 8.603 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.157 8.774 11.028 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.895 9.752 9.982 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.199 10.286 11.198 1.00 0.00 H new ATOM 283 N ASP A 20 -2.043 7.880 6.981 1.00 0.00 N ATOM 284 CA ASP A 20 -3.397 8.467 7.012 1.00 0.00 C ATOM 285 C ASP A 20 -4.029 8.560 5.614 1.00 0.00 C ATOM 286 O ASP A 20 -5.184 8.231 5.429 1.00 0.00 O ATOM 287 CB ASP A 20 -3.279 9.890 7.619 1.00 0.00 C ATOM 288 CG ASP A 20 -4.649 10.479 7.963 1.00 0.00 C ATOM 289 OD1 ASP A 20 -5.178 10.117 9.001 1.00 0.00 O ATOM 290 OD2 ASP A 20 -5.144 11.288 7.193 1.00 0.00 O ATOM 0 H ASP A 20 -1.292 8.552 7.140 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.043 7.824 7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.664 9.851 8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.769 10.545 6.912 1.00 0.00 H new ATOM 295 N GLU A 21 -3.251 9.031 4.648 1.00 0.00 N ATOM 296 CA GLU A 21 -3.746 9.217 3.277 1.00 0.00 C ATOM 297 C GLU A 21 -4.240 7.915 2.646 1.00 0.00 C ATOM 298 O GLU A 21 -5.326 7.869 2.061 1.00 0.00 O ATOM 299 CB GLU A 21 -2.605 9.821 2.411 1.00 0.00 C ATOM 300 CG GLU A 21 -2.183 11.223 2.929 1.00 0.00 C ATOM 301 CD GLU A 21 -3.308 12.252 2.708 1.00 0.00 C ATOM 302 OE1 GLU A 21 -3.772 12.358 1.581 1.00 0.00 O ATOM 303 OE2 GLU A 21 -3.685 12.920 3.660 1.00 0.00 O ATOM 0 H GLU A 21 -2.274 9.293 4.782 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.601 9.891 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.744 9.153 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.934 9.898 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.941 11.165 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.280 11.549 2.413 1.00 0.00 H new ATOM 310 N LEU A 22 -3.437 6.881 2.777 1.00 0.00 N ATOM 311 CA LEU A 22 -3.800 5.563 2.234 1.00 0.00 C ATOM 312 C LEU A 22 -4.863 4.838 3.091 1.00 0.00 C ATOM 313 O LEU A 22 -5.803 4.271 2.556 1.00 0.00 O ATOM 314 CB LEU A 22 -2.525 4.709 2.074 1.00 0.00 C ATOM 315 CG LEU A 22 -1.731 4.600 3.447 1.00 0.00 C ATOM 316 CD1 LEU A 22 -2.032 3.256 4.150 1.00 0.00 C ATOM 317 CD2 LEU A 22 -0.191 4.753 3.199 1.00 0.00 C ATOM 0 H LEU A 22 -2.533 6.913 3.248 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.259 5.714 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.793 3.712 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.882 5.150 1.313 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.063 5.408 4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.478 3.204 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.100 3.184 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.730 2.432 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.340 4.676 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.150 3.964 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.010 5.725 2.748 1.00 0.00 H new ATOM 329 N ARG A 23 -4.667 4.816 4.421 1.00 0.00 N ATOM 330 CA ARG A 23 -5.571 4.072 5.313 1.00 0.00 C ATOM 331 C ARG A 23 -7.002 4.615 5.241 1.00 0.00 C ATOM 332 O ARG A 23 -7.968 3.861 5.092 1.00 0.00 O ATOM 333 CB ARG A 23 -5.021 4.155 6.750 1.00 0.00 C ATOM 334 CG ARG A 23 -5.833 3.260 7.771 1.00 0.00 C ATOM 335 CD ARG A 23 -6.006 3.977 9.120 1.00 0.00 C ATOM 336 NE ARG A 23 -4.689 4.240 9.713 1.00 0.00 N ATOM 337 CZ ARG A 23 -4.545 4.873 10.886 1.00 0.00 C ATOM 338 NH1 ARG A 23 -5.594 5.260 11.568 1.00 0.00 N ATOM 339 NH2 ARG A 23 -3.350 5.100 11.350 1.00 0.00 N ATOM 0 H ARG A 23 -3.903 5.297 4.896 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.613 3.030 4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.976 3.844 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.046 5.192 7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.812 3.023 7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.314 2.314 7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.545 4.914 8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.603 3.364 9.795 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.854 3.930 9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.531 5.080 11.208 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.474 5.741 12.459 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.532 4.797 10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.232 5.581 12.242 1.00 0.00 H new ATOM 353 N GLN A 24 -7.122 5.918 5.377 1.00 0.00 N ATOM 354 CA GLN A 24 -8.418 6.605 5.367 1.00 0.00 C ATOM 355 C GLN A 24 -9.133 6.419 4.057 1.00 0.00 C ATOM 356 O GLN A 24 -10.364 6.297 4.018 1.00 0.00 O ATOM 357 CB GLN A 24 -8.166 8.118 5.610 1.00 0.00 C ATOM 358 CG GLN A 24 -7.470 8.311 6.991 1.00 0.00 C ATOM 359 CD GLN A 24 -8.493 8.318 8.137 1.00 0.00 C ATOM 360 OE1 GLN A 24 -9.481 9.050 8.077 1.00 0.00 O ATOM 361 NE2 GLN A 24 -8.308 7.555 9.175 1.00 0.00 N ATOM 0 H GLN A 24 -6.326 6.544 5.499 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.048 6.182 6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.542 8.526 4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.109 8.664 5.586 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.747 7.511 7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.913 9.248 6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.489 6.949 9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.982 7.563 9.940 1.00 0.00 H new ATOM 370 N ASP A 25 -8.376 6.356 2.969 1.00 0.00 N ATOM 371 CA ASP A 25 -8.932 6.114 1.647 1.00 0.00 C ATOM 372 C ASP A 25 -9.405 4.668 1.534 1.00 0.00 C ATOM 373 O ASP A 25 -10.512 4.385 1.088 1.00 0.00 O ATOM 374 CB ASP A 25 -7.838 6.404 0.591 1.00 0.00 C ATOM 375 CG ASP A 25 -8.398 6.284 -0.837 1.00 0.00 C ATOM 376 OD1 ASP A 25 -9.477 6.803 -1.066 1.00 0.00 O ATOM 377 OD2 ASP A 25 -7.743 5.674 -1.668 1.00 0.00 O ATOM 0 H ASP A 25 -7.363 6.471 2.979 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.788 6.767 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.437 7.406 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.010 5.706 0.720 1.00 0.00 H new ATOM 382 N LEU A 26 -8.506 3.751 1.947 1.00 0.00 N ATOM 383 CA LEU A 26 -8.766 2.287 1.859 1.00 0.00 C ATOM 384 C LEU A 26 -9.951 1.877 2.729 1.00 0.00 C ATOM 385 O LEU A 26 -10.693 0.938 2.387 1.00 0.00 O ATOM 386 CB LEU A 26 -7.510 1.445 2.238 1.00 0.00 C ATOM 387 CG LEU A 26 -6.312 1.636 1.212 1.00 0.00 C ATOM 388 CD1 LEU A 26 -4.960 1.254 1.892 1.00 0.00 C ATOM 389 CD2 LEU A 26 -6.504 0.744 -0.053 1.00 0.00 C ATOM 0 H LEU A 26 -7.597 3.990 2.343 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.009 2.079 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.176 1.727 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.783 0.391 2.279 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.300 2.683 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.145 1.388 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.795 1.894 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.995 0.213 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.668 0.897 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.543 -0.304 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.435 1.015 -0.552 1.00 0.00 H new ATOM 401 N LYS A 27 -10.144 2.585 3.840 1.00 0.00 N ATOM 402 CA LYS A 27 -11.274 2.287 4.732 1.00 0.00 C ATOM 403 C LYS A 27 -12.610 2.337 3.935 1.00 0.00 C ATOM 404 O LYS A 27 -13.462 1.449 4.056 1.00 0.00 O ATOM 405 CB LYS A 27 -11.262 3.309 5.880 1.00 0.00 C ATOM 406 CG LYS A 27 -12.380 3.013 6.925 1.00 0.00 C ATOM 407 CD LYS A 27 -12.243 3.940 8.167 1.00 0.00 C ATOM 408 CE LYS A 27 -12.348 5.446 7.780 1.00 0.00 C ATOM 409 NZ LYS A 27 -12.659 6.233 8.999 1.00 0.00 N ATOM 0 H LYS A 27 -9.548 3.355 4.144 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.183 1.283 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.290 3.292 6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.398 4.312 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.358 3.156 6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.324 1.970 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.021 3.696 8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.285 3.756 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.412 5.788 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.126 5.589 7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.732 7.241 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.562 5.909 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.902 6.102 9.700 1.00 0.00 H new ATOM 423 N GLY A 28 -12.757 3.377 3.103 1.00 0.00 N ATOM 424 CA GLY A 28 -13.960 3.552 2.276 1.00 0.00 C ATOM 425 C GLY A 28 -14.130 2.418 1.261 1.00 0.00 C ATOM 426 O GLY A 28 -15.254 2.039 0.926 1.00 0.00 O ATOM 0 H GLY A 28 -12.058 4.110 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.839 3.597 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.902 4.504 1.749 1.00 0.00 H new ATOM 430 N LYS A 29 -13.007 1.891 0.762 1.00 0.00 N ATOM 431 CA LYS A 29 -13.013 0.807 -0.242 1.00 0.00 C ATOM 432 C LYS A 29 -13.480 -0.517 0.368 1.00 0.00 C ATOM 433 O LYS A 29 -13.488 -1.547 -0.307 1.00 0.00 O ATOM 434 CB LYS A 29 -11.579 0.637 -0.820 1.00 0.00 C ATOM 435 CG LYS A 29 -10.993 1.980 -1.347 1.00 0.00 C ATOM 436 CD LYS A 29 -11.767 2.482 -2.597 1.00 0.00 C ATOM 437 CE LYS A 29 -11.146 3.777 -3.148 1.00 0.00 C ATOM 438 NZ LYS A 29 -11.927 4.186 -4.348 1.00 0.00 N ATOM 0 H LYS A 29 -12.073 2.196 1.036 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.710 1.077 -1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.923 0.235 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.600 -0.091 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.040 2.733 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.941 1.847 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.756 1.712 -3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.811 2.657 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.169 4.562 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.100 3.617 -3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.527 5.062 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.883 3.433 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.918 4.349 -4.078 1.00 0.00 H new ATOM 452 N GLY A 30 -13.923 -0.462 1.620 1.00 0.00 N ATOM 453 CA GLY A 30 -14.458 -1.641 2.304 1.00 0.00 C ATOM 454 C GLY A 30 -13.371 -2.643 2.613 1.00 0.00 C ATOM 455 O GLY A 30 -13.668 -3.816 2.862 1.00 0.00 O ATOM 0 H GLY A 30 -13.923 0.387 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.946 -1.336 3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.220 -2.110 1.681 1.00 0.00 H new ATOM 459 N HIS A 31 -12.100 -2.204 2.626 1.00 0.00 N ATOM 460 CA HIS A 31 -10.972 -3.090 2.924 1.00 0.00 C ATOM 461 C HIS A 31 -10.997 -3.486 4.396 1.00 0.00 C ATOM 462 O HIS A 31 -11.697 -2.871 5.201 1.00 0.00 O ATOM 463 CB HIS A 31 -9.644 -2.404 2.536 1.00 0.00 C ATOM 464 CG HIS A 31 -9.511 -2.362 1.040 1.00 0.00 C ATOM 465 ND1 HIS A 31 -10.614 -2.295 0.219 1.00 0.00 N ATOM 466 CD2 HIS A 31 -8.422 -2.450 0.213 1.00 0.00 C ATOM 467 CE1 HIS A 31 -10.182 -2.350 -1.041 1.00 0.00 C ATOM 468 NE2 HIS A 31 -8.848 -2.442 -1.110 1.00 0.00 N ATOM 0 H HIS A 31 -11.833 -1.239 2.433 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.057 -4.002 2.334 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.614 -1.393 2.941 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.804 -2.946 2.970 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.394 -2.515 0.538 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.831 -2.323 -1.904 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.271 -2.495 -1.949 1.00 0.00 H new ATOM 476 N THR A 32 -10.256 -4.556 4.725 1.00 0.00 N ATOM 477 CA THR A 32 -10.218 -5.100 6.092 1.00 0.00 C ATOM 478 C THR A 32 -9.020 -4.556 6.833 1.00 0.00 C ATOM 479 O THR A 32 -8.065 -4.102 6.224 1.00 0.00 O ATOM 480 CB THR A 32 -10.157 -6.639 6.019 1.00 0.00 C ATOM 481 OG1 THR A 32 -8.939 -7.019 5.406 1.00 0.00 O ATOM 482 CG2 THR A 32 -11.337 -7.185 5.181 1.00 0.00 C ATOM 0 H THR A 32 -9.673 -5.063 4.060 1.00 0.00 H new ATOM 0 HA THR A 32 -11.116 -4.801 6.632 1.00 0.00 H new ATOM 0 HB THR A 32 -10.220 -7.048 7.027 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.889 -7.996 5.356 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.280 -8.273 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.279 -6.888 5.642 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.284 -6.779 4.171 1.00 0.00 H new ATOM 490 N ASP A 33 -9.062 -4.622 8.164 1.00 0.00 N ATOM 491 CA ASP A 33 -7.959 -4.126 8.988 1.00 0.00 C ATOM 492 C ASP A 33 -6.675 -4.893 8.677 1.00 0.00 C ATOM 493 O ASP A 33 -5.601 -4.297 8.608 1.00 0.00 O ATOM 494 CB ASP A 33 -8.333 -4.269 10.478 1.00 0.00 C ATOM 495 CG ASP A 33 -8.646 -5.738 10.797 1.00 0.00 C ATOM 496 OD1 ASP A 33 -9.463 -6.310 10.095 1.00 0.00 O ATOM 497 OD2 ASP A 33 -8.061 -6.267 11.730 1.00 0.00 O ATOM 0 H ASP A 33 -9.843 -5.012 8.692 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.784 -3.074 8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.512 -3.918 11.104 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.197 -3.645 10.707 1.00 0.00 H new ATOM 502 N ALA A 34 -6.800 -6.224 8.489 1.00 0.00 N ATOM 503 CA ALA A 34 -5.621 -7.047 8.192 1.00 0.00 C ATOM 504 C ALA A 34 -4.966 -6.566 6.891 1.00 0.00 C ATOM 505 O ALA A 34 -3.746 -6.449 6.820 1.00 0.00 O ATOM 506 CB ALA A 34 -6.055 -8.524 8.063 1.00 0.00 C ATOM 0 H ALA A 34 -7.681 -6.735 8.537 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.894 -6.956 8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.184 -9.141 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.506 -8.854 8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.782 -8.621 7.256 1.00 0.00 H new ATOM 512 N GLU A 35 -5.756 -6.335 5.833 1.00 0.00 N ATOM 513 CA GLU A 35 -5.182 -5.910 4.544 1.00 0.00 C ATOM 514 C GLU A 35 -4.625 -4.486 4.651 1.00 0.00 C ATOM 515 O GLU A 35 -3.507 -4.209 4.213 1.00 0.00 O ATOM 516 CB GLU A 35 -6.301 -5.969 3.463 1.00 0.00 C ATOM 517 CG GLU A 35 -6.751 -7.440 3.189 1.00 0.00 C ATOM 518 CD GLU A 35 -5.632 -8.245 2.505 1.00 0.00 C ATOM 519 OE1 GLU A 35 -5.151 -7.792 1.480 1.00 0.00 O ATOM 520 OE2 GLU A 35 -5.282 -9.302 3.011 1.00 0.00 O ATOM 0 H GLU A 35 -6.771 -6.432 5.839 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.362 -6.573 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.157 -5.380 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.940 -5.519 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.026 -7.920 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.640 -7.440 2.559 1.00 0.00 H new ATOM 527 N ILE A 36 -5.436 -3.590 5.216 1.00 0.00 N ATOM 528 CA ILE A 36 -5.043 -2.178 5.331 1.00 0.00 C ATOM 529 C ILE A 36 -3.720 -2.027 6.116 1.00 0.00 C ATOM 530 O ILE A 36 -2.796 -1.330 5.666 1.00 0.00 O ATOM 531 CB ILE A 36 -6.174 -1.385 6.055 1.00 0.00 C ATOM 532 CG1 ILE A 36 -7.474 -1.381 5.178 1.00 0.00 C ATOM 533 CG2 ILE A 36 -5.742 0.096 6.336 1.00 0.00 C ATOM 534 CD1 ILE A 36 -8.700 -0.957 6.008 1.00 0.00 C ATOM 0 H ILE A 36 -6.357 -3.809 5.597 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.890 -1.780 4.328 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.368 -1.879 7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.347 -0.700 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.639 -2.375 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.552 0.622 6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.855 0.102 6.969 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.518 0.595 5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.587 -0.963 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.839 -1.654 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.543 0.047 6.403 1.00 0.00 H new ATOM 546 N GLU A 37 -3.641 -2.663 7.300 1.00 0.00 N ATOM 547 CA GLU A 37 -2.462 -2.565 8.146 1.00 0.00 C ATOM 548 C GLU A 37 -1.245 -3.191 7.466 1.00 0.00 C ATOM 549 O GLU A 37 -0.128 -2.702 7.592 1.00 0.00 O ATOM 550 CB GLU A 37 -2.724 -3.240 9.511 1.00 0.00 C ATOM 551 CG GLU A 37 -2.801 -4.795 9.396 1.00 0.00 C ATOM 552 CD GLU A 37 -1.417 -5.455 9.540 1.00 0.00 C ATOM 553 OE1 GLU A 37 -0.790 -5.241 10.563 1.00 0.00 O ATOM 554 OE2 GLU A 37 -1.017 -6.172 8.635 1.00 0.00 O ATOM 0 H GLU A 37 -4.385 -3.247 7.682 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.250 -1.509 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.930 -2.968 10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.657 -2.862 9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.469 -5.182 10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.233 -5.066 8.433 1.00 0.00 H new ATOM 561 N ALA A 38 -1.479 -4.291 6.740 1.00 0.00 N ATOM 562 CA ALA A 38 -0.409 -4.983 6.039 1.00 0.00 C ATOM 563 C ALA A 38 0.147 -4.115 4.902 1.00 0.00 C ATOM 564 O ALA A 38 1.366 -4.051 4.707 1.00 0.00 O ATOM 565 CB ALA A 38 -0.976 -6.298 5.461 1.00 0.00 C ATOM 0 H ALA A 38 -2.400 -4.714 6.627 1.00 0.00 H new ATOM 0 HA ALA A 38 0.404 -5.191 6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.188 -6.832 4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.353 -6.920 6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.788 -6.071 4.771 1.00 0.00 H new ATOM 571 N ILE A 39 -0.756 -3.505 4.117 1.00 0.00 N ATOM 572 CA ILE A 39 -0.302 -2.728 2.921 1.00 0.00 C ATOM 573 C ILE A 39 0.596 -1.556 3.306 1.00 0.00 C ATOM 574 O ILE A 39 1.653 -1.364 2.709 1.00 0.00 O ATOM 575 CB ILE A 39 -1.578 -2.175 2.107 1.00 0.00 C ATOM 576 CG1 ILE A 39 -1.999 -3.142 0.928 1.00 0.00 C ATOM 577 CG2 ILE A 39 -1.352 -0.746 1.509 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.578 -4.463 1.451 1.00 0.00 C ATOM 0 H ILE A 39 -1.765 -3.523 4.267 1.00 0.00 H new ATOM 0 HA ILE A 39 0.278 -3.406 2.295 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.376 -2.125 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.737 -2.646 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.132 -3.349 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.247 -0.430 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.145 -0.043 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.507 -0.769 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.854 -5.098 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.831 -4.972 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.461 -4.259 2.057 1.00 0.00 H new ATOM 590 N PHE A 40 0.188 -0.784 4.299 1.00 0.00 N ATOM 591 CA PHE A 40 0.989 0.362 4.738 1.00 0.00 C ATOM 592 C PHE A 40 2.279 -0.126 5.380 1.00 0.00 C ATOM 593 O PHE A 40 3.328 0.489 5.241 1.00 0.00 O ATOM 594 CB PHE A 40 0.162 1.323 5.648 1.00 0.00 C ATOM 595 CG PHE A 40 0.507 1.117 7.114 1.00 0.00 C ATOM 596 CD1 PHE A 40 -0.131 0.111 7.818 1.00 0.00 C ATOM 597 CD2 PHE A 40 1.484 1.897 7.745 1.00 0.00 C ATOM 598 CE1 PHE A 40 0.173 -0.141 9.152 1.00 0.00 C ATOM 599 CE2 PHE A 40 1.794 1.663 9.082 1.00 0.00 C ATOM 600 CZ PHE A 40 1.140 0.645 9.795 1.00 0.00 C ATOM 0 H PHE A 40 -0.681 -0.921 4.815 1.00 0.00 H new ATOM 0 HA PHE A 40 1.270 0.960 3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.360 2.357 5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.903 1.149 5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.879 -0.490 7.322 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.994 2.676 7.198 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.330 -0.933 9.686 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.542 2.268 9.574 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.381 0.468 10.833 1.00 0.00 H new ATOM 610 N THR A 41 2.161 -1.203 6.177 1.00 0.00 N ATOM 611 CA THR A 41 3.305 -1.715 6.917 1.00 0.00 C ATOM 612 C THR A 41 4.447 -2.108 5.971 1.00 0.00 C ATOM 613 O THR A 41 5.609 -1.759 6.207 1.00 0.00 O ATOM 614 CB THR A 41 2.797 -2.906 7.762 1.00 0.00 C ATOM 615 OG1 THR A 41 2.012 -2.399 8.832 1.00 0.00 O ATOM 616 CG2 THR A 41 3.939 -3.738 8.357 1.00 0.00 C ATOM 0 H THR A 41 1.294 -1.722 6.318 1.00 0.00 H new ATOM 0 HA THR A 41 3.724 -0.951 7.572 1.00 0.00 H new ATOM 0 HB THR A 41 2.220 -3.554 7.103 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.209 -1.968 8.473 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.525 -4.560 8.940 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.555 -4.139 7.552 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.550 -3.107 9.002 1.00 0.00 H new ATOM 624 N LYS A 42 4.104 -2.829 4.908 1.00 0.00 N ATOM 625 CA LYS A 42 5.099 -3.273 3.926 1.00 0.00 C ATOM 626 C LYS A 42 5.610 -2.091 3.078 1.00 0.00 C ATOM 627 O LYS A 42 6.821 -1.941 2.890 1.00 0.00 O ATOM 628 CB LYS A 42 4.406 -4.324 3.020 1.00 0.00 C ATOM 629 CG LYS A 42 4.122 -5.640 3.811 1.00 0.00 C ATOM 630 CD LYS A 42 3.507 -6.741 2.894 1.00 0.00 C ATOM 631 CE LYS A 42 2.087 -6.364 2.395 1.00 0.00 C ATOM 632 NZ LYS A 42 1.458 -7.566 1.794 1.00 0.00 N ATOM 0 H LYS A 42 3.148 -3.120 4.701 1.00 0.00 H new ATOM 0 HA LYS A 42 5.964 -3.700 4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.471 -3.918 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.038 -4.541 2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.049 -6.008 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.440 -5.430 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.160 -6.903 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.460 -7.682 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.481 -5.995 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.146 -5.561 1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.504 -7.326 1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.036 -7.898 0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.392 -8.318 2.510 1.00 0.00 H new ATOM 646 N TYR A 43 4.688 -1.275 2.543 1.00 0.00 N ATOM 647 CA TYR A 43 5.072 -0.144 1.677 1.00 0.00 C ATOM 648 C TYR A 43 5.723 0.959 2.499 1.00 0.00 C ATOM 649 O TYR A 43 6.554 1.702 1.974 1.00 0.00 O ATOM 650 CB TYR A 43 3.842 0.411 0.912 1.00 0.00 C ATOM 651 CG TYR A 43 3.475 -0.467 -0.299 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.028 -1.785 -0.106 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.557 0.048 -1.623 1.00 0.00 C ATOM 654 CE1 TYR A 43 2.668 -2.568 -1.203 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.200 -0.749 -2.707 1.00 0.00 C ATOM 656 CZ TYR A 43 2.756 -2.050 -2.499 1.00 0.00 C ATOM 657 OH TYR A 43 2.397 -2.821 -3.571 1.00 0.00 O ATOM 0 H TYR A 43 3.684 -1.373 2.691 1.00 0.00 H new ATOM 0 HA TYR A 43 5.793 -0.508 0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.990 0.470 1.589 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.052 1.426 0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.963 -2.192 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.897 1.060 -1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.320 -3.579 -1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.268 -0.356 -3.711 1.00 0.00 H new ATOM 0 HH TYR A 43 2.056 -2.246 -4.288 1.00 0.00 H new ATOM 667 N ASP A 44 5.339 1.080 3.770 1.00 0.00 N ATOM 668 CA ASP A 44 5.876 2.123 4.670 1.00 0.00 C ATOM 669 C ASP A 44 6.646 1.427 5.793 1.00 0.00 C ATOM 670 O ASP A 44 6.042 0.780 6.656 1.00 0.00 O ATOM 671 CB ASP A 44 4.703 2.992 5.247 1.00 0.00 C ATOM 672 CG ASP A 44 3.493 3.052 4.309 1.00 0.00 C ATOM 673 OD1 ASP A 44 3.629 2.747 3.138 1.00 0.00 O ATOM 674 OD2 ASP A 44 2.447 3.422 4.788 1.00 0.00 O ATOM 0 H ASP A 44 4.653 0.467 4.210 1.00 0.00 H new ATOM 0 HA ASP A 44 6.544 2.791 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.392 2.583 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.064 4.004 5.433 1.00 0.00 H new ATOM 679 N GLN A 45 7.982 1.510 5.749 1.00 0.00 N ATOM 680 CA GLN A 45 8.804 0.820 6.734 1.00 0.00 C ATOM 681 C GLN A 45 8.540 1.325 8.157 1.00 0.00 C ATOM 682 O GLN A 45 8.275 0.510 9.046 1.00 0.00 O ATOM 683 CB GLN A 45 10.298 1.057 6.362 1.00 0.00 C ATOM 684 CG GLN A 45 10.589 0.574 4.910 1.00 0.00 C ATOM 685 CD GLN A 45 10.376 -0.937 4.767 1.00 0.00 C ATOM 686 OE1 GLN A 45 11.314 -1.715 4.930 1.00 0.00 O ATOM 687 NE2 GLN A 45 9.185 -1.390 4.477 1.00 0.00 N ATOM 0 H GLN A 45 8.504 2.041 5.052 1.00 0.00 H new ATOM 0 HA GLN A 45 8.557 -0.241 6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.536 2.117 6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.941 0.525 7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.938 1.102 4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.615 0.825 4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.411 -0.740 4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.030 -2.394 4.385 1.00 0.00 H new ATOM 696 N ASP A 46 8.578 2.658 8.386 1.00 0.00 N ATOM 697 CA ASP A 46 8.306 3.240 9.718 1.00 0.00 C ATOM 698 C ASP A 46 6.932 3.921 9.764 1.00 0.00 C ATOM 699 O ASP A 46 6.536 4.437 10.811 1.00 0.00 O ATOM 700 CB ASP A 46 9.415 4.275 10.017 1.00 0.00 C ATOM 701 CG ASP A 46 10.789 3.595 9.986 1.00 0.00 C ATOM 702 OD1 ASP A 46 10.897 2.500 10.512 1.00 0.00 O ATOM 703 OD2 ASP A 46 11.708 4.177 9.431 1.00 0.00 O ATOM 0 H ASP A 46 8.794 3.348 7.667 1.00 0.00 H new ATOM 0 HA ASP A 46 8.300 2.446 10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.381 5.079 9.282 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.247 4.729 10.994 1.00 0.00 H new ATOM 708 N GLY A 47 6.214 3.939 8.630 1.00 0.00 N ATOM 709 CA GLY A 47 4.887 4.587 8.560 1.00 0.00 C ATOM 710 C GLY A 47 4.879 5.985 9.174 1.00 0.00 C ATOM 711 O GLY A 47 3.861 6.422 9.701 1.00 0.00 O ATOM 0 H GLY A 47 6.523 3.517 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.573 4.651 7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.156 3.964 9.076 1.00 0.00 H new ATOM 715 N ASP A 48 6.037 6.663 9.121 1.00 0.00 N ATOM 716 CA ASP A 48 6.207 8.018 9.686 1.00 0.00 C ATOM 717 C ASP A 48 6.555 9.044 8.604 1.00 0.00 C ATOM 718 O ASP A 48 6.501 10.246 8.866 1.00 0.00 O ATOM 719 CB ASP A 48 7.338 7.954 10.738 1.00 0.00 C ATOM 720 CG ASP A 48 7.480 9.283 11.499 1.00 0.00 C ATOM 721 OD1 ASP A 48 6.489 9.725 12.058 1.00 0.00 O ATOM 722 OD2 ASP A 48 8.571 9.834 11.513 1.00 0.00 O ATOM 0 H ASP A 48 6.882 6.291 8.687 1.00 0.00 H new ATOM 0 HA ASP A 48 5.269 8.338 10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.133 7.150 11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.280 7.714 10.246 1.00 0.00 H new ATOM 727 N GLN A 49 6.948 8.563 7.414 1.00 0.00 N ATOM 728 CA GLN A 49 7.361 9.445 6.290 1.00 0.00 C ATOM 729 C GLN A 49 6.621 9.098 5.004 1.00 0.00 C ATOM 730 O GLN A 49 5.845 8.147 4.945 1.00 0.00 O ATOM 731 CB GLN A 49 8.907 9.335 6.063 1.00 0.00 C ATOM 732 CG GLN A 49 9.355 7.867 5.775 1.00 0.00 C ATOM 733 CD GLN A 49 9.165 6.970 7.008 1.00 0.00 C ATOM 734 OE1 GLN A 49 9.734 7.244 8.065 1.00 0.00 O ATOM 735 NE2 GLN A 49 8.391 5.919 6.932 1.00 0.00 N ATOM 0 H GLN A 49 6.991 7.567 7.197 1.00 0.00 H new ATOM 0 HA GLN A 49 7.104 10.470 6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.197 9.973 5.228 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.430 9.707 6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.780 7.467 4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.403 7.857 5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.921 5.694 6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.257 5.324 7.750 1.00 0.00 H new ATOM 744 N GLU A 50 6.899 9.888 3.964 1.00 0.00 N ATOM 745 CA GLU A 50 6.313 9.720 2.639 1.00 0.00 C ATOM 746 C GLU A 50 6.972 8.535 1.935 1.00 0.00 C ATOM 747 O GLU A 50 8.132 8.228 2.198 1.00 0.00 O ATOM 748 CB GLU A 50 6.455 11.020 1.807 1.00 0.00 C ATOM 749 CG GLU A 50 7.944 11.436 1.669 1.00 0.00 C ATOM 750 CD GLU A 50 8.064 12.704 0.819 1.00 0.00 C ATOM 751 OE1 GLU A 50 7.349 12.798 -0.166 1.00 0.00 O ATOM 752 OE2 GLU A 50 8.873 13.552 1.157 1.00 0.00 O ATOM 0 H GLU A 50 7.548 10.673 4.023 1.00 0.00 H new ATOM 0 HA GLU A 50 5.247 9.515 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.023 10.871 0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.893 11.823 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.373 11.609 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.514 10.627 1.211 1.00 0.00 H new ATOM 759 N LEU A 51 6.206 7.845 1.088 1.00 0.00 N ATOM 760 CA LEU A 51 6.703 6.634 0.404 1.00 0.00 C ATOM 761 C LEU A 51 7.342 7.020 -0.925 1.00 0.00 C ATOM 762 O LEU A 51 6.711 7.640 -1.780 1.00 0.00 O ATOM 763 CB LEU A 51 5.502 5.663 0.121 1.00 0.00 C ATOM 764 CG LEU A 51 4.455 5.684 1.279 1.00 0.00 C ATOM 765 CD1 LEU A 51 3.311 4.684 0.971 1.00 0.00 C ATOM 766 CD2 LEU A 51 5.110 5.335 2.640 1.00 0.00 C ATOM 0 H LEU A 51 5.245 8.096 0.856 1.00 0.00 H new ATOM 0 HA LEU A 51 7.440 6.143 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.017 5.947 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.878 4.648 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 51 4.049 6.693 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.583 4.703 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.822 4.966 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.722 3.679 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.354 5.359 3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.548 4.338 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.890 6.063 2.866 1.00 0.00 H new ATOM 778 N THR A 52 8.629 6.675 -1.058 1.00 0.00 N ATOM 779 CA THR A 52 9.403 7.013 -2.231 1.00 0.00 C ATOM 780 C THR A 52 9.102 6.034 -3.329 1.00 0.00 C ATOM 781 O THR A 52 8.304 5.118 -3.168 1.00 0.00 O ATOM 782 CB THR A 52 10.913 7.018 -1.871 1.00 0.00 C ATOM 783 OG1 THR A 52 11.671 7.271 -3.041 1.00 0.00 O ATOM 784 CG2 THR A 52 11.351 5.664 -1.267 1.00 0.00 C ATOM 0 H THR A 52 9.150 6.156 -0.351 1.00 0.00 H new ATOM 0 HA THR A 52 9.136 8.009 -2.583 1.00 0.00 H new ATOM 0 HB THR A 52 11.085 7.798 -1.129 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.464 8.168 -3.377 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.413 5.700 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.779 5.468 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.170 4.868 -1.989 1.00 0.00 H new ATOM 792 N GLU A 53 9.752 6.276 -4.441 1.00 0.00 N ATOM 793 CA GLU A 53 9.574 5.458 -5.623 1.00 0.00 C ATOM 794 C GLU A 53 10.233 4.094 -5.450 1.00 0.00 C ATOM 795 O GLU A 53 9.611 3.075 -5.686 1.00 0.00 O ATOM 796 CB GLU A 53 10.152 6.185 -6.856 1.00 0.00 C ATOM 797 CG GLU A 53 9.449 7.554 -7.052 1.00 0.00 C ATOM 798 CD GLU A 53 9.987 8.253 -8.305 1.00 0.00 C ATOM 799 OE1 GLU A 53 10.993 8.931 -8.192 1.00 0.00 O ATOM 800 OE2 GLU A 53 9.385 8.091 -9.356 1.00 0.00 O ATOM 0 H GLU A 53 10.417 7.041 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 53 8.507 5.296 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.224 6.334 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.019 5.569 -7.745 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.373 7.408 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.613 8.183 -6.177 1.00 0.00 H new ATOM 807 N HIS A 54 11.526 4.082 -5.098 1.00 0.00 N ATOM 808 CA HIS A 54 12.258 2.802 -5.034 1.00 0.00 C ATOM 809 C HIS A 54 11.530 1.812 -4.115 1.00 0.00 C ATOM 810 O HIS A 54 11.262 0.681 -4.533 1.00 0.00 O ATOM 811 CB HIS A 54 13.702 3.062 -4.526 1.00 0.00 C ATOM 812 CG HIS A 54 14.512 1.788 -4.568 1.00 0.00 C ATOM 813 ND1 HIS A 54 15.020 1.193 -3.426 1.00 0.00 N ATOM 814 CD2 HIS A 54 14.875 0.971 -5.611 1.00 0.00 C ATOM 815 CE1 HIS A 54 15.652 0.069 -3.803 1.00 0.00 C ATOM 816 NE2 HIS A 54 15.594 -0.114 -5.125 1.00 0.00 N ATOM 0 H HIS A 54 12.074 4.909 -4.861 1.00 0.00 H new ATOM 0 HA HIS A 54 12.304 2.362 -6.030 1.00 0.00 H new ATOM 0 HB2 HIS A 54 14.179 3.824 -5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.672 3.448 -3.507 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.638 1.145 -6.650 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.147 -0.605 -3.120 1.00 0.00 H new ATOM 0 HE2 HIS A 54 15.992 -0.884 -5.662 1.00 0.00 H new ATOM 824 N GLU A 55 11.175 2.224 -2.895 1.00 0.00 N ATOM 825 CA GLU A 55 10.451 1.347 -1.979 1.00 0.00 C ATOM 826 C GLU A 55 9.092 0.954 -2.581 1.00 0.00 C ATOM 827 O GLU A 55 8.748 -0.217 -2.626 1.00 0.00 O ATOM 828 CB GLU A 55 10.240 2.094 -0.638 1.00 0.00 C ATOM 829 CG GLU A 55 11.607 2.415 0.030 1.00 0.00 C ATOM 830 CD GLU A 55 11.422 3.206 1.338 1.00 0.00 C ATOM 831 OE1 GLU A 55 10.287 3.461 1.719 1.00 0.00 O ATOM 832 OE2 GLU A 55 12.427 3.548 1.938 1.00 0.00 O ATOM 0 H GLU A 55 11.376 3.152 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 55 11.028 0.437 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.689 3.018 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.635 1.484 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.139 1.487 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.225 2.990 -0.660 1.00 0.00 H new ATOM 839 N HIS A 56 8.326 1.952 -3.041 1.00 0.00 N ATOM 840 CA HIS A 56 6.996 1.703 -3.616 1.00 0.00 C ATOM 841 C HIS A 56 7.055 0.790 -4.859 1.00 0.00 C ATOM 842 O HIS A 56 6.326 -0.204 -4.928 1.00 0.00 O ATOM 843 CB HIS A 56 6.330 3.056 -3.977 1.00 0.00 C ATOM 844 CG HIS A 56 4.937 2.832 -4.513 1.00 0.00 C ATOM 845 ND1 HIS A 56 4.714 2.369 -5.799 1.00 0.00 N ATOM 846 CD2 HIS A 56 3.702 2.947 -3.933 1.00 0.00 C ATOM 847 CE1 HIS A 56 3.390 2.219 -5.948 1.00 0.00 C ATOM 848 NE2 HIS A 56 2.728 2.557 -4.840 1.00 0.00 N ATOM 0 H HIS A 56 8.602 2.934 -3.027 1.00 0.00 H new ATOM 0 HA HIS A 56 6.401 1.181 -2.866 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.288 3.695 -3.095 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.933 3.578 -4.720 1.00 0.00 H new ATOM 0 HD1 HIS A 56 5.426 2.177 -6.504 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.515 3.288 -2.926 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.918 1.868 -6.853 1.00 0.00 H new ATOM 856 N GLN A 57 7.915 1.115 -5.842 1.00 0.00 N ATOM 857 CA GLN A 57 8.020 0.298 -7.066 1.00 0.00 C ATOM 858 C GLN A 57 8.438 -1.144 -6.735 1.00 0.00 C ATOM 859 O GLN A 57 8.016 -2.080 -7.420 1.00 0.00 O ATOM 860 CB GLN A 57 9.024 0.964 -8.066 1.00 0.00 C ATOM 861 CG GLN A 57 8.306 1.976 -9.031 1.00 0.00 C ATOM 862 CD GLN A 57 7.304 2.894 -8.307 1.00 0.00 C ATOM 863 OE1 GLN A 57 7.628 3.421 -7.177 1.00 0.00 O flip ATOM 864 NE2 GLN A 57 6.207 3.138 -8.812 1.00 0.00 N flip ATOM 0 H GLN A 57 8.537 1.923 -5.815 1.00 0.00 H new ATOM 0 HA GLN A 57 7.039 0.250 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.801 1.485 -7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.518 0.190 -8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.057 2.589 -9.529 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.783 1.419 -9.808 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.953 2.719 -9.707 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.553 3.759 -8.335 1.00 0.00 H new ATOM 873 N GLN A 58 9.279 -1.321 -5.703 1.00 0.00 N ATOM 874 CA GLN A 58 9.739 -2.669 -5.323 1.00 0.00 C ATOM 875 C GLN A 58 8.546 -3.502 -4.820 1.00 0.00 C ATOM 876 O GLN A 58 8.289 -4.601 -5.322 1.00 0.00 O ATOM 877 CB GLN A 58 10.826 -2.551 -4.219 1.00 0.00 C ATOM 878 CG GLN A 58 11.565 -3.905 -4.012 1.00 0.00 C ATOM 879 CD GLN A 58 12.566 -3.801 -2.856 1.00 0.00 C ATOM 880 OE1 GLN A 58 12.242 -3.244 -1.808 1.00 0.00 O ATOM 881 NE2 GLN A 58 13.762 -4.309 -2.983 1.00 0.00 N ATOM 0 H GLN A 58 9.649 -0.565 -5.126 1.00 0.00 H new ATOM 0 HA GLN A 58 10.170 -3.169 -6.190 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.545 -1.779 -4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.365 -2.238 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.841 -4.693 -3.804 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.086 -4.185 -4.928 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.030 -4.771 -3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.428 -4.244 -2.213 1.00 0.00 H new ATOM 890 N MET A 59 7.812 -2.969 -3.820 1.00 0.00 N ATOM 891 CA MET A 59 6.654 -3.665 -3.253 1.00 0.00 C ATOM 892 C MET A 59 5.584 -3.848 -4.313 1.00 0.00 C ATOM 893 O MET A 59 4.859 -4.843 -4.296 1.00 0.00 O ATOM 894 CB MET A 59 6.093 -2.876 -2.051 1.00 0.00 C ATOM 895 CG MET A 59 7.201 -2.652 -1.001 1.00 0.00 C ATOM 896 SD MET A 59 7.667 -4.232 -0.215 1.00 0.00 S ATOM 897 CE MET A 59 9.320 -4.418 -0.915 1.00 0.00 C ATOM 0 H MET A 59 8.006 -2.062 -3.395 1.00 0.00 H new ATOM 0 HA MET A 59 6.970 -4.648 -2.905 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.700 -1.916 -2.387 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.262 -3.421 -1.604 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.074 -2.204 -1.475 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.855 -1.950 -0.242 1.00 0.00 H new ATOM 0 HE1 MET A 59 9.770 -5.339 -0.545 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.252 -4.458 -2.002 1.00 0.00 H new ATOM 0 HE3 MET A 59 9.937 -3.569 -0.621 1.00 0.00 H new ATOM 907 N ARG A 60 5.470 -2.867 -5.222 1.00 0.00 N ATOM 908 CA ARG A 60 4.436 -2.956 -6.261 1.00 0.00 C ATOM 909 C ARG A 60 4.637 -4.236 -7.092 1.00 0.00 C ATOM 910 O ARG A 60 3.692 -4.999 -7.302 1.00 0.00 O ATOM 911 CB ARG A 60 4.595 -1.728 -7.173 1.00 0.00 C ATOM 912 CG ARG A 60 3.559 -1.741 -8.324 1.00 0.00 C ATOM 913 CD ARG A 60 3.791 -0.570 -9.280 1.00 0.00 C ATOM 914 NE ARG A 60 2.905 -0.708 -10.430 1.00 0.00 N ATOM 915 CZ ARG A 60 2.766 0.256 -11.356 1.00 0.00 C ATOM 916 NH1 ARG A 60 3.382 1.405 -11.224 1.00 0.00 N ATOM 917 NH2 ARG A 60 2.004 0.052 -12.393 1.00 0.00 N ATOM 0 H ARG A 60 6.057 -2.034 -5.260 1.00 0.00 H new ATOM 0 HA ARG A 60 3.444 -2.985 -5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.476 -0.818 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.603 -1.709 -7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.629 -2.681 -8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.551 -1.685 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.601 0.375 -8.770 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.831 -0.552 -9.607 1.00 0.00 H new ATOM 0 HE ARG A 60 2.370 -1.570 -10.536 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.975 1.575 -10.412 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.269 2.129 -11.934 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.515 -0.837 -12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.896 0.781 -13.098 1.00 0.00 H new ATOM 931 N ASP A 61 5.867 -4.464 -7.546 1.00 0.00 N ATOM 932 CA ASP A 61 6.195 -5.654 -8.344 1.00 0.00 C ATOM 933 C ASP A 61 5.910 -6.920 -7.532 1.00 0.00 C ATOM 934 O ASP A 61 5.405 -7.907 -8.062 1.00 0.00 O ATOM 935 CB ASP A 61 7.696 -5.603 -8.723 1.00 0.00 C ATOM 936 CG ASP A 61 7.986 -4.424 -9.660 1.00 0.00 C ATOM 937 OD1 ASP A 61 7.176 -4.182 -10.540 1.00 0.00 O ATOM 938 OD2 ASP A 61 9.015 -3.788 -9.487 1.00 0.00 O ATOM 0 H ASP A 61 6.658 -3.842 -7.377 1.00 0.00 H new ATOM 0 HA ASP A 61 5.585 -5.671 -9.247 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.300 -5.512 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.985 -6.536 -9.207 1.00 0.00 H new ATOM 943 N ASP A 62 6.206 -6.858 -6.229 1.00 0.00 N ATOM 944 CA ASP A 62 5.961 -7.982 -5.325 1.00 0.00 C ATOM 945 C ASP A 62 4.455 -8.208 -5.183 1.00 0.00 C ATOM 946 O ASP A 62 3.987 -9.342 -5.152 1.00 0.00 O ATOM 947 CB ASP A 62 6.591 -7.702 -3.942 1.00 0.00 C ATOM 948 CG ASP A 62 8.092 -7.411 -4.084 1.00 0.00 C ATOM 949 OD1 ASP A 62 8.730 -8.056 -4.903 1.00 0.00 O ATOM 950 OD2 ASP A 62 8.580 -6.549 -3.370 1.00 0.00 O ATOM 0 H ASP A 62 6.616 -6.040 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 62 6.420 -8.880 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.093 -6.853 -3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.441 -8.560 -3.287 1.00 0.00 H new ATOM 955 N LEU A 63 3.699 -7.105 -5.088 1.00 0.00 N ATOM 956 CA LEU A 63 2.241 -7.179 -4.929 1.00 0.00 C ATOM 957 C LEU A 63 1.596 -7.904 -6.110 1.00 0.00 C ATOM 958 O LEU A 63 0.798 -8.821 -5.917 1.00 0.00 O ATOM 959 CB LEU A 63 1.658 -5.743 -4.802 1.00 0.00 C ATOM 960 CG LEU A 63 0.182 -5.757 -4.213 1.00 0.00 C ATOM 961 CD1 LEU A 63 0.214 -5.771 -2.656 1.00 0.00 C ATOM 962 CD2 LEU A 63 -0.613 -4.514 -4.698 1.00 0.00 C ATOM 0 H LEU A 63 4.071 -6.156 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 63 2.019 -7.745 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.301 -5.145 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.654 -5.264 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.312 -6.660 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.806 -5.780 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.740 -6.661 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.730 -4.881 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.621 -4.542 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.109 -3.607 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.668 -4.519 -5.787 1.00 0.00 H new ATOM 974 N GLU A 64 1.959 -7.495 -7.339 1.00 0.00 N ATOM 975 CA GLU A 64 1.407 -8.141 -8.545 1.00 0.00 C ATOM 976 C GLU A 64 1.724 -9.656 -8.531 1.00 0.00 C ATOM 977 O GLU A 64 0.856 -10.484 -8.813 1.00 0.00 O ATOM 978 CB GLU A 64 2.009 -7.469 -9.800 1.00 0.00 C ATOM 979 CG GLU A 64 1.571 -5.975 -9.879 1.00 0.00 C ATOM 980 CD GLU A 64 2.197 -5.267 -11.092 1.00 0.00 C ATOM 981 OE1 GLU A 64 2.913 -5.913 -11.846 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.947 -4.084 -11.245 1.00 0.00 O ATOM 0 H GLU A 64 2.617 -6.738 -7.523 1.00 0.00 H new ATOM 0 HA GLU A 64 0.324 -8.022 -8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.097 -7.535 -9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.683 -7.998 -10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.484 -5.916 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.865 -5.460 -8.964 1.00 0.00 H new ATOM 989 N LYS A 65 2.969 -9.994 -8.180 1.00 0.00 N ATOM 990 CA LYS A 65 3.423 -11.397 -8.107 1.00 0.00 C ATOM 991 C LYS A 65 2.654 -12.190 -7.028 1.00 0.00 C ATOM 992 O LYS A 65 2.201 -13.321 -7.275 1.00 0.00 O ATOM 993 CB LYS A 65 4.950 -11.388 -7.787 1.00 0.00 C ATOM 994 CG LYS A 65 5.797 -10.818 -8.984 1.00 0.00 C ATOM 995 CD LYS A 65 6.033 -11.901 -10.080 1.00 0.00 C ATOM 996 CE LYS A 65 6.824 -11.315 -11.265 1.00 0.00 C ATOM 997 NZ LYS A 65 7.023 -12.383 -12.280 1.00 0.00 N ATOM 0 H LYS A 65 3.689 -9.313 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 65 3.230 -11.890 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.131 -10.787 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.279 -12.402 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.282 -9.962 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.757 -10.458 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.578 -12.744 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.075 -12.285 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.284 -10.475 -11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.786 -10.933 -10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.556 -12.000 -13.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.554 -13.170 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.098 -12.726 -12.608 1.00 0.00 H new ATOM 1011 N GLU A 66 2.499 -11.591 -5.839 1.00 0.00 N ATOM 1012 CA GLU A 66 1.774 -12.236 -4.724 1.00 0.00 C ATOM 1013 C GLU A 66 0.288 -12.367 -5.073 1.00 0.00 C ATOM 1014 O GLU A 66 -0.316 -13.413 -4.853 1.00 0.00 O ATOM 1015 CB GLU A 66 1.964 -11.395 -3.432 1.00 0.00 C ATOM 1016 CG GLU A 66 3.423 -11.519 -2.896 1.00 0.00 C ATOM 1017 CD GLU A 66 3.655 -10.600 -1.685 1.00 0.00 C ATOM 1018 OE1 GLU A 66 2.723 -9.919 -1.276 1.00 0.00 O ATOM 1019 OE2 GLU A 66 4.767 -10.590 -1.189 1.00 0.00 O ATOM 0 H GLU A 66 2.863 -10.664 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 66 2.174 -13.236 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.736 -10.349 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.262 -11.731 -2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.622 -12.553 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.126 -11.264 -3.689 1.00 0.00 H new ATOM 1026 N ARG A 67 -0.286 -11.296 -5.633 1.00 0.00 N ATOM 1027 CA ARG A 67 -1.707 -11.281 -6.027 1.00 0.00 C ATOM 1028 C ARG A 67 -2.023 -12.447 -6.981 1.00 0.00 C ATOM 1029 O ARG A 67 -3.072 -13.082 -6.862 1.00 0.00 O ATOM 1030 CB ARG A 67 -2.042 -9.905 -6.692 1.00 0.00 C ATOM 1031 CG ARG A 67 -2.186 -8.750 -5.623 1.00 0.00 C ATOM 1032 CD ARG A 67 -3.611 -8.727 -5.000 1.00 0.00 C ATOM 1033 NE ARG A 67 -4.610 -8.453 -6.048 1.00 0.00 N ATOM 1034 CZ ARG A 67 -4.772 -7.234 -6.583 1.00 0.00 C ATOM 1035 NH1 ARG A 67 -4.056 -6.231 -6.163 1.00 0.00 N ATOM 1036 NH2 ARG A 67 -5.653 -7.042 -7.525 1.00 0.00 N ATOM 0 H ARG A 67 0.209 -10.425 -5.825 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.328 -11.409 -5.140 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.257 -9.645 -7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.969 -9.992 -7.258 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.445 -8.887 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.977 -7.789 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.824 -9.683 -4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.666 -7.964 -4.224 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.199 -9.217 -6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.368 -6.370 -5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.183 -5.306 -6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.222 -7.821 -7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.773 -6.113 -7.929 1.00 0.00 H new ATOM 1050 N GLU A 68 -1.102 -12.730 -7.914 1.00 0.00 N ATOM 1051 CA GLU A 68 -1.291 -13.834 -8.872 1.00 0.00 C ATOM 1052 C GLU A 68 -1.363 -15.172 -8.115 1.00 0.00 C ATOM 1053 O GLU A 68 -2.395 -15.844 -8.125 1.00 0.00 O ATOM 1054 CB GLU A 68 -0.125 -13.842 -9.889 1.00 0.00 C ATOM 1055 CG GLU A 68 -0.375 -14.877 -11.027 1.00 0.00 C ATOM 1056 CD GLU A 68 0.775 -14.878 -12.042 1.00 0.00 C ATOM 1057 OE1 GLU A 68 1.557 -13.937 -12.044 1.00 0.00 O ATOM 1058 OE2 GLU A 68 0.855 -15.827 -12.801 1.00 0.00 O ATOM 0 H GLU A 68 -0.228 -12.217 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.226 -13.693 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.007 -12.847 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.807 -14.080 -9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.485 -15.873 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.311 -14.643 -11.535 1.00 0.00 H new ATOM 1065 N ASP A 69 -0.247 -15.556 -7.467 1.00 0.00 N ATOM 1066 CA ASP A 69 -0.188 -16.826 -6.715 1.00 0.00 C ATOM 1067 C ASP A 69 -1.302 -16.885 -5.648 1.00 0.00 C ATOM 1068 O ASP A 69 -1.928 -17.928 -5.458 1.00 0.00 O ATOM 1069 CB ASP A 69 1.204 -16.980 -6.045 1.00 0.00 C ATOM 1070 CG ASP A 69 1.319 -18.329 -5.309 1.00 0.00 C ATOM 1071 OD1 ASP A 69 1.056 -19.343 -5.935 1.00 0.00 O ATOM 1072 OD2 ASP A 69 1.672 -18.326 -4.138 1.00 0.00 O ATOM 0 H ASP A 69 0.617 -15.013 -7.448 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.342 -17.648 -7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.985 -16.907 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.365 -16.163 -5.341 1.00 0.00 H new ATOM 1077 N LEU A 70 -1.548 -15.757 -4.968 1.00 0.00 N ATOM 1078 CA LEU A 70 -2.587 -15.686 -3.924 1.00 0.00 C ATOM 1079 C LEU A 70 -3.977 -15.982 -4.507 1.00 0.00 C ATOM 1080 O LEU A 70 -4.789 -16.666 -3.875 1.00 0.00 O ATOM 1081 CB LEU A 70 -2.569 -14.279 -3.264 1.00 0.00 C ATOM 1082 CG LEU A 70 -3.640 -14.121 -2.120 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -3.380 -15.128 -0.955 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.610 -12.664 -1.576 1.00 0.00 C ATOM 0 H LEU A 70 -1.045 -14.882 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.372 -16.443 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.577 -14.089 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.748 -13.523 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.622 -14.338 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.136 -14.993 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.430 -16.148 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.392 -14.947 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.352 -12.556 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.619 -12.445 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.838 -11.969 -2.384 1.00 0.00 H new ATOM 1096 N ASP A 71 -4.250 -15.449 -5.704 1.00 0.00 N ATOM 1097 CA ASP A 71 -5.554 -15.644 -6.365 1.00 0.00 C ATOM 1098 C ASP A 71 -5.809 -17.139 -6.614 1.00 0.00 C ATOM 1099 O ASP A 71 -6.891 -17.654 -6.320 1.00 0.00 O ATOM 1100 CB ASP A 71 -5.589 -14.861 -7.704 1.00 0.00 C ATOM 1101 CG ASP A 71 -6.965 -14.985 -8.382 1.00 0.00 C ATOM 1102 OD1 ASP A 71 -7.947 -14.663 -7.735 1.00 0.00 O ATOM 1103 OD2 ASP A 71 -7.014 -15.392 -9.535 1.00 0.00 O ATOM 0 H ASP A 71 -3.591 -14.881 -6.236 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.340 -15.264 -5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.364 -13.810 -7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.816 -15.241 -8.371 1.00 0.00 H new ATOM 1108 N LEU A 72 -4.801 -17.821 -7.163 1.00 0.00 N ATOM 1109 CA LEU A 72 -4.895 -19.256 -7.459 1.00 0.00 C ATOM 1110 C LEU A 72 -5.062 -20.072 -6.165 1.00 0.00 C ATOM 1111 O LEU A 72 -5.880 -20.993 -6.112 1.00 0.00 O ATOM 1112 CB LEU A 72 -3.596 -19.683 -8.192 1.00 0.00 C ATOM 1113 CG LEU A 72 -3.473 -19.017 -9.619 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -2.023 -19.194 -10.159 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -4.470 -19.660 -10.640 1.00 0.00 C ATOM 0 H LEU A 72 -3.905 -17.402 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.767 -19.445 -8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.732 -19.407 -7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.579 -20.768 -8.296 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.715 -17.960 -9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.943 -18.733 -11.144 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.320 -18.717 -9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.790 -20.256 -10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.358 -19.178 -11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.256 -20.724 -10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.492 -19.526 -10.284 1.00 0.00 H new ATOM 1127 N ASP A 73 -4.275 -19.725 -5.129 1.00 0.00 N ATOM 1128 CA ASP A 73 -4.311 -20.416 -3.814 1.00 0.00 C ATOM 1129 C ASP A 73 -4.448 -19.378 -2.686 1.00 0.00 C ATOM 1130 O ASP A 73 -3.608 -18.491 -2.552 1.00 0.00 O ATOM 1131 CB ASP A 73 -3.017 -21.251 -3.631 1.00 0.00 C ATOM 1132 CG ASP A 73 -1.777 -20.361 -3.772 1.00 0.00 C ATOM 1133 OD1 ASP A 73 -1.391 -19.759 -2.783 1.00 0.00 O ATOM 1134 OD2 ASP A 73 -1.232 -20.300 -4.863 1.00 0.00 O ATOM 0 H ASP A 73 -3.598 -18.963 -5.173 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.170 -21.087 -3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.020 -21.727 -2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.985 -22.049 -4.373 1.00 0.00 H new ATOM 1139 N HIS A 74 -5.507 -19.502 -1.871 1.00 0.00 N ATOM 1140 CA HIS A 74 -5.755 -18.577 -0.755 1.00 0.00 C ATOM 1141 C HIS A 74 -4.575 -18.581 0.223 1.00 0.00 C ATOM 1142 O HIS A 74 -4.342 -17.610 0.946 1.00 0.00 O ATOM 1143 CB HIS A 74 -7.058 -19.002 -0.035 1.00 0.00 C ATOM 1144 CG HIS A 74 -6.940 -20.437 0.428 1.00 0.00 C ATOM 1145 ND1 HIS A 74 -7.127 -21.506 -0.430 1.00 0.00 N ATOM 1146 CD2 HIS A 74 -6.640 -20.984 1.651 1.00 0.00 C ATOM 1147 CE1 HIS A 74 -6.938 -22.635 0.278 1.00 0.00 C ATOM 1148 NE2 HIS A 74 -6.638 -22.373 1.554 1.00 0.00 N ATOM 0 H HIS A 74 -6.208 -20.237 -1.965 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.863 -17.563 -1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.243 -18.349 0.818 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -7.908 -18.896 -0.709 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -6.437 -20.423 2.551 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -7.019 -23.630 -0.134 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.448 -23.046 2.297 1.00 0.00 H new ATOM 1156 N SER A 75 -3.841 -19.694 0.222 1.00 0.00 N ATOM 1157 CA SER A 75 -2.677 -19.863 1.093 1.00 0.00 C ATOM 1158 C SER A 75 -1.846 -21.065 0.639 1.00 0.00 C ATOM 1159 O SER A 75 -2.398 -22.102 0.264 1.00 0.00 O ATOM 1160 CB SER A 75 -3.141 -20.086 2.539 1.00 0.00 C ATOM 1161 OG SER A 75 -2.003 -20.288 3.366 1.00 0.00 O ATOM 0 H SER A 75 -4.034 -20.497 -0.377 1.00 0.00 H new ATOM 0 HA SER A 75 -2.065 -18.963 1.038 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.712 -19.225 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.803 -20.950 2.593 1.00 0.00 H new ATOM 0 HG SER A 75 -2.292 -20.429 4.292 1.00 0.00 H new ATOM 1167 N SER A 76 -0.516 -20.927 0.691 1.00 0.00 N ATOM 1168 CA SER A 76 0.401 -22.006 0.303 1.00 0.00 C ATOM 1169 C SER A 76 0.234 -23.222 1.217 1.00 0.00 C ATOM 1170 O SER A 76 0.282 -24.368 0.764 1.00 0.00 O ATOM 1171 CB SER A 76 1.855 -21.513 0.387 1.00 0.00 C ATOM 1172 OG SER A 76 2.722 -22.571 0.006 1.00 0.00 O ATOM 0 H SER A 76 -0.049 -20.074 1.000 1.00 0.00 H new ATOM 0 HA SER A 76 0.164 -22.297 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.000 -20.653 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.084 -21.185 1.401 1.00 0.00 H new ATOM 0 HG SER A 76 3.652 -22.266 0.055 1.00 0.00 H new ATOM 1178 N LEU A 77 0.059 -22.954 2.520 1.00 0.00 N ATOM 1179 CA LEU A 77 -0.088 -24.015 3.528 1.00 0.00 C ATOM 1180 C LEU A 77 -1.440 -24.748 3.363 1.00 0.00 C ATOM 1181 O LEU A 77 -2.430 -24.127 2.985 1.00 0.00 O ATOM 1182 CB LEU A 77 0.032 -23.395 4.963 1.00 0.00 C ATOM 1183 CG LEU A 77 1.526 -23.109 5.380 1.00 0.00 C ATOM 1184 CD1 LEU A 77 2.311 -24.425 5.671 1.00 0.00 C ATOM 1185 CD2 LEU A 77 2.265 -22.289 4.282 1.00 0.00 C ATOM 0 H LEU A 77 0.016 -22.009 2.901 1.00 0.00 H new ATOM 0 HA LEU A 77 0.707 -24.748 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.536 -22.465 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.419 -24.074 5.687 1.00 0.00 H new ATOM 0 HG LEU A 77 1.490 -22.524 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.335 -24.183 5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.827 -24.965 6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.320 -25.049 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.293 -22.106 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.265 -22.850 3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.755 -21.337 4.134 1.00 0.00 H new ATOM 1197 N PRO A 78 -1.512 -26.058 3.652 1.00 0.00 N ATOM 1198 CA PRO A 78 -2.792 -26.851 3.530 1.00 0.00 C ATOM 1199 C PRO A 78 -3.762 -26.526 4.676 1.00 0.00 C ATOM 1200 O PRO A 78 -4.954 -26.694 4.481 1.00 0.00 O ATOM 1201 CB PRO A 78 -2.301 -28.326 3.594 1.00 0.00 C ATOM 1202 CG PRO A 78 -1.112 -28.254 4.517 1.00 0.00 C ATOM 1203 CD PRO A 78 -0.404 -26.938 4.129 1.00 0.00 C ATOM 1204 OXT PRO A 78 -3.293 -26.107 5.720 1.00 0.00 O ATOM 0 HA PRO A 78 -3.349 -26.629 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.073 -28.991 3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.024 -28.701 2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.420 -28.246 5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.454 -29.113 4.385 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.116 -26.499 4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.341 -27.100 3.350 1.00 0.00 H new TER 1212 PRO A 78