USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 780 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 63 LYS NZ :NH3+ -148:sc= 0.318 (180deg=0) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.178 K(o=0.5,f=-6.9!) USER MOD Single : A 10 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.6) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00226 USER MOD Single : A 13 GLN : amide:sc= -0.0624 X(o=-0.062,f=-0.5) USER MOD Single : A 15 THR OG1 : rot -140:sc= -0.722 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 34 ASN :FLIP amide:sc= -2.13! C(o=-3.8!,f=-2.1!) USER MOD Single : A 36 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.46) USER MOD Single : A 39 GLN :FLIP amide:sc= -2.7 F(o=-3.6!,f=-2.7) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.12) USER MOD Single : A 47 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 49 TYR OH : rot 100:sc= 0.185 USER MOD Single : A 51 SER OG : rot -60:sc= 0.00749 USER MOD Single : A 53 TYR OH : rot 49:sc= 0.701 USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= -0.433 (180deg=-0.642) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 5:sc= 1.29 USER MOD Single : A 67 THR OG1 : rot -55:sc= -0.372 USER MOD Single : A 68 MET CE :methyl -157:sc=-0.00395 (180deg=-0.0623) USER MOD Single : A 69 GLN : amide:sc= -0.526 K(o=-0.53,f=-1.4) USER MOD Single : A 70 THR OG1 : rot 70:sc= 0.278 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.998! USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -56:sc= 1.11 USER MOD Single : A 81 SER OG : rot 80:sc= 1.3 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 156:sc= -0.284 (180deg=-1.59!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.94!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -115:sc= 0.00279 USER MOD ----------------------------------------------------------------- ATOM 105 N ASN A 10 77.538 -9.850 10.123 1.00 0.00 N ATOM 106 CA ASN A 10 77.422 -10.423 8.787 1.00 0.00 C ATOM 107 C ASN A 10 78.746 -11.049 8.362 1.00 0.00 C ATOM 108 O ASN A 10 79.644 -11.241 9.180 1.00 0.00 O ATOM 109 CB ASN A 10 77.024 -9.339 7.785 1.00 0.00 C ATOM 110 CG ASN A 10 75.584 -8.901 8.035 1.00 0.00 C ATOM 111 OD1 ASN A 10 74.654 -9.478 7.473 1.00 0.00 O ATOM 112 ND2 ASN A 10 75.346 -7.911 8.850 1.00 0.00 N ATOM 0 HA ASN A 10 76.654 -11.196 8.807 1.00 0.00 H new ATOM 0 HB2 ASN A 10 77.694 -8.484 7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.126 -9.717 6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 10 74.386 -7.613 9.023 1.00 0.00 H new ATOM 0 HD22 ASN A 10 76.120 -7.435 9.314 1.00 0.00 H new ATOM 119 N TYR A 11 78.860 -11.365 7.076 1.00 0.00 N ATOM 120 CA TYR A 11 80.080 -11.969 6.555 1.00 0.00 C ATOM 121 C TYR A 11 80.307 -11.554 5.105 1.00 0.00 C ATOM 122 O TYR A 11 80.160 -10.383 4.754 1.00 0.00 O ATOM 123 CB TYR A 11 79.986 -13.493 6.649 1.00 0.00 C ATOM 124 CG TYR A 11 79.551 -13.887 8.041 1.00 0.00 C ATOM 125 CD1 TYR A 11 80.440 -13.761 9.114 1.00 0.00 C ATOM 126 CD2 TYR A 11 78.257 -14.379 8.257 1.00 0.00 C ATOM 127 CE1 TYR A 11 80.037 -14.127 10.404 1.00 0.00 C ATOM 128 CE2 TYR A 11 77.855 -14.745 9.547 1.00 0.00 C ATOM 129 CZ TYR A 11 78.744 -14.619 10.620 1.00 0.00 C ATOM 130 OH TYR A 11 78.348 -14.980 11.891 1.00 0.00 O ATOM 0 H TYR A 11 78.129 -11.214 6.381 1.00 0.00 H new ATOM 0 HA TYR A 11 80.922 -11.621 7.153 1.00 0.00 H new ATOM 0 HB2 TYR A 11 79.275 -13.870 5.914 1.00 0.00 H new ATOM 0 HB3 TYR A 11 80.952 -13.942 6.418 1.00 0.00 H new ATOM 0 HD1 TYR A 11 81.437 -13.381 8.947 1.00 0.00 H new ATOM 0 HD2 TYR A 11 77.570 -14.476 7.429 1.00 0.00 H new ATOM 0 HE1 TYR A 11 80.723 -14.030 11.232 1.00 0.00 H new ATOM 0 HE2 TYR A 11 76.858 -15.125 9.714 1.00 0.00 H new ATOM 0 HH TYR A 11 77.422 -15.300 11.867 1.00 0.00 H new ATOM 140 N SER A 12 80.667 -12.520 4.266 1.00 0.00 N ATOM 141 CA SER A 12 80.914 -12.243 2.855 1.00 0.00 C ATOM 142 C SER A 12 79.728 -11.511 2.234 1.00 0.00 C ATOM 143 O SER A 12 79.883 -10.780 1.259 1.00 0.00 O ATOM 144 CB SER A 12 81.150 -13.553 2.103 1.00 0.00 C ATOM 145 OG SER A 12 80.205 -14.521 2.540 1.00 0.00 O ATOM 0 H SER A 12 80.794 -13.495 4.536 1.00 0.00 H new ATOM 0 HA SER A 12 81.798 -11.610 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 12 81.053 -13.392 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 12 82.164 -13.911 2.282 1.00 0.00 H new ATOM 0 HG SER A 12 80.352 -15.362 2.059 1.00 0.00 H new ATOM 151 N GLN A 13 78.543 -11.719 2.802 1.00 0.00 N ATOM 152 CA GLN A 13 77.338 -11.081 2.289 1.00 0.00 C ATOM 153 C GLN A 13 77.409 -9.562 2.437 1.00 0.00 C ATOM 154 O GLN A 13 77.039 -8.825 1.524 1.00 0.00 O ATOM 155 CB GLN A 13 76.108 -11.612 3.031 1.00 0.00 C ATOM 156 CG GLN A 13 76.251 -11.324 4.530 1.00 0.00 C ATOM 157 CD GLN A 13 75.581 -12.431 5.356 1.00 0.00 C ATOM 158 OE1 GLN A 13 76.278 -13.263 5.938 1.00 0.00 O ATOM 159 NE2 GLN A 13 74.271 -12.505 5.452 1.00 0.00 N ATOM 0 H GLN A 13 78.393 -12.320 3.612 1.00 0.00 H new ATOM 0 HA GLN A 13 77.258 -11.319 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 13 75.205 -11.140 2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 13 76.004 -12.684 2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 13 77.306 -11.253 4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 13 75.798 -10.361 4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 13 73.685 -11.821 4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 13 73.841 -13.247 6.005 1.00 0.00 H new ATOM 168 N ASP A 14 77.880 -9.100 3.592 1.00 0.00 N ATOM 169 CA ASP A 14 77.985 -7.666 3.844 1.00 0.00 C ATOM 170 C ASP A 14 79.004 -7.020 2.913 1.00 0.00 C ATOM 171 O ASP A 14 78.790 -5.913 2.421 1.00 0.00 O ATOM 172 CB ASP A 14 78.392 -7.420 5.298 1.00 0.00 C ATOM 173 CG ASP A 14 77.237 -6.781 6.061 1.00 0.00 C ATOM 174 OD1 ASP A 14 76.129 -7.279 5.946 1.00 0.00 O ATOM 175 OD2 ASP A 14 77.477 -5.803 6.750 1.00 0.00 O ATOM 0 H ASP A 14 78.192 -9.692 4.362 1.00 0.00 H new ATOM 0 HA ASP A 14 77.010 -7.217 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 14 78.674 -8.361 5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 14 79.267 -6.771 5.335 1.00 0.00 H new ATOM 180 N THR A 15 80.112 -7.712 2.677 1.00 0.00 N ATOM 181 CA THR A 15 81.149 -7.180 1.805 1.00 0.00 C ATOM 182 C THR A 15 80.566 -6.786 0.453 1.00 0.00 C ATOM 183 O THR A 15 80.835 -5.702 -0.049 1.00 0.00 O ATOM 184 CB THR A 15 82.260 -8.214 1.608 1.00 0.00 C ATOM 185 OG1 THR A 15 81.953 -9.382 2.355 1.00 0.00 O ATOM 186 CG2 THR A 15 83.592 -7.631 2.091 1.00 0.00 C ATOM 0 H THR A 15 80.313 -8.631 3.072 1.00 0.00 H new ATOM 0 HA THR A 15 81.568 -6.292 2.278 1.00 0.00 H new ATOM 0 HB THR A 15 82.339 -8.469 0.551 1.00 0.00 H new ATOM 0 HG1 THR A 15 82.771 -9.732 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.384 -8.367 1.951 1.00 0.00 H new ATOM 0 HG22 THR A 15 83.825 -6.734 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 15 83.516 -7.377 3.148 1.00 0.00 H new ATOM 194 N LEU A 16 79.766 -7.666 -0.137 1.00 0.00 N ATOM 195 CA LEU A 16 79.165 -7.370 -1.436 1.00 0.00 C ATOM 196 C LEU A 16 78.421 -6.042 -1.385 1.00 0.00 C ATOM 197 O LEU A 16 78.455 -5.263 -2.338 1.00 0.00 O ATOM 198 CB LEU A 16 78.187 -8.475 -1.853 1.00 0.00 C ATOM 199 CG LEU A 16 78.560 -9.796 -1.180 1.00 0.00 C ATOM 200 CD1 LEU A 16 77.681 -10.915 -1.740 1.00 0.00 C ATOM 201 CD2 LEU A 16 80.031 -10.117 -1.464 1.00 0.00 C ATOM 0 H LEU A 16 79.520 -8.576 0.253 1.00 0.00 H new ATOM 0 HA LEU A 16 79.970 -7.312 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 16 77.171 -8.193 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 16 78.203 -8.594 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 16 78.407 -9.712 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 16 77.945 -11.858 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 16 76.633 -10.688 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 16 77.838 -10.997 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 16 80.297 -11.059 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 16 80.184 -10.202 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 16 80.660 -9.319 -1.070 1.00 0.00 H new ATOM 213 N THR A 17 77.748 -5.794 -0.270 1.00 0.00 N ATOM 214 CA THR A 17 76.993 -4.556 -0.104 1.00 0.00 C ATOM 215 C THR A 17 77.932 -3.368 0.089 1.00 0.00 C ATOM 216 O THR A 17 77.865 -2.386 -0.651 1.00 0.00 O ATOM 217 CB THR A 17 76.060 -4.673 1.102 1.00 0.00 C ATOM 218 OG1 THR A 17 75.568 -6.003 1.191 1.00 0.00 O ATOM 219 CG2 THR A 17 74.889 -3.703 0.939 1.00 0.00 C ATOM 0 H THR A 17 77.708 -6.427 0.529 1.00 0.00 H new ATOM 0 HA THR A 17 76.405 -4.391 -1.007 1.00 0.00 H new ATOM 0 HB THR A 17 76.608 -4.427 2.011 1.00 0.00 H new ATOM 0 HG1 THR A 17 74.971 -6.080 1.965 1.00 0.00 H new ATOM 0 HG21 THR A 17 74.225 -3.787 1.799 1.00 0.00 H new ATOM 0 HG22 THR A 17 75.268 -2.683 0.872 1.00 0.00 H new ATOM 0 HG23 THR A 17 74.339 -3.946 0.030 1.00 0.00 H new ATOM 227 N VAL A 18 78.799 -3.459 1.091 1.00 0.00 N ATOM 228 CA VAL A 18 79.740 -2.378 1.376 1.00 0.00 C ATOM 229 C VAL A 18 80.724 -2.191 0.222 1.00 0.00 C ATOM 230 O VAL A 18 81.038 -1.065 -0.163 1.00 0.00 O ATOM 231 CB VAL A 18 80.511 -2.684 2.661 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.320 -1.454 3.076 1.00 0.00 C ATOM 233 CG2 VAL A 18 79.523 -3.044 3.773 1.00 0.00 C ATOM 0 H VAL A 18 78.871 -4.262 1.716 1.00 0.00 H new ATOM 0 HA VAL A 18 79.172 -1.456 1.500 1.00 0.00 H new ATOM 0 HB VAL A 18 81.187 -3.522 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 18 81.869 -1.672 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.023 -1.196 2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 18 80.645 -0.616 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.071 -3.262 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 18 78.847 -2.206 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 18 78.946 -3.920 3.477 1.00 0.00 H new ATOM 243 N ILE A 19 81.213 -3.302 -0.316 1.00 0.00 N ATOM 244 CA ILE A 19 82.169 -3.257 -1.420 1.00 0.00 C ATOM 245 C ILE A 19 81.589 -2.539 -2.621 1.00 0.00 C ATOM 246 O ILE A 19 82.291 -1.791 -3.299 1.00 0.00 O ATOM 247 CB ILE A 19 82.576 -4.674 -1.827 1.00 0.00 C ATOM 248 CG1 ILE A 19 83.268 -5.367 -0.641 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.515 -4.606 -3.035 1.00 0.00 C ATOM 250 CD1 ILE A 19 84.792 -5.276 -0.773 1.00 0.00 C ATOM 0 H ILE A 19 80.966 -4.243 -0.008 1.00 0.00 H new ATOM 0 HA ILE A 19 83.045 -2.708 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 19 81.693 -5.251 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 19 82.951 -4.903 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 19 82.964 -6.413 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 19 83.806 -5.615 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 19 83.004 -4.121 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 19 84.404 -4.033 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 19 85.261 -5.773 0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 19 85.107 -5.762 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 19 85.094 -4.229 -0.793 1.00 0.00 H new ATOM 262 N ALA A 20 80.319 -2.769 -2.894 1.00 0.00 N ATOM 263 CA ALA A 20 79.700 -2.133 -4.037 1.00 0.00 C ATOM 264 C ALA A 20 79.826 -0.618 -3.938 1.00 0.00 C ATOM 265 O ALA A 20 79.963 0.071 -4.950 1.00 0.00 O ATOM 266 CB ALA A 20 78.226 -2.532 -4.138 1.00 0.00 C ATOM 0 H ALA A 20 79.707 -3.379 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 20 80.216 -2.469 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 20 77.776 -2.045 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 20 78.149 -3.614 -4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 20 77.702 -2.222 -3.234 1.00 0.00 H new ATOM 272 N THR A 21 79.789 -0.105 -2.715 1.00 0.00 N ATOM 273 CA THR A 21 79.914 1.330 -2.501 1.00 0.00 C ATOM 274 C THR A 21 81.355 1.780 -2.720 1.00 0.00 C ATOM 275 O THR A 21 81.609 2.934 -3.069 1.00 0.00 O ATOM 276 CB THR A 21 79.471 1.687 -1.081 1.00 0.00 C ATOM 277 OG1 THR A 21 78.599 0.678 -0.592 1.00 0.00 O ATOM 278 CG2 THR A 21 78.743 3.031 -1.093 1.00 0.00 C ATOM 0 H THR A 21 79.675 -0.655 -1.864 1.00 0.00 H new ATOM 0 HA THR A 21 79.274 1.844 -3.218 1.00 0.00 H new ATOM 0 HB THR A 21 80.346 1.757 -0.434 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.315 0.904 0.318 1.00 0.00 H new ATOM 0 HG21 THR A 21 78.428 3.283 -0.080 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.413 3.804 -1.468 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.868 2.965 -1.739 1.00 0.00 H new ATOM 286 N LEU A 22 82.297 0.863 -2.510 1.00 0.00 N ATOM 287 CA LEU A 22 83.711 1.180 -2.684 1.00 0.00 C ATOM 288 C LEU A 22 84.056 1.314 -4.162 1.00 0.00 C ATOM 289 O LEU A 22 84.650 2.308 -4.582 1.00 0.00 O ATOM 290 CB LEU A 22 84.566 0.077 -2.067 1.00 0.00 C ATOM 291 CG LEU A 22 85.097 0.535 -0.705 1.00 0.00 C ATOM 292 CD1 LEU A 22 85.822 -0.626 -0.021 1.00 0.00 C ATOM 293 CD2 LEU A 22 86.075 1.699 -0.898 1.00 0.00 C ATOM 0 H LEU A 22 82.109 -0.097 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 22 83.914 2.129 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 22 83.976 -0.832 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 22 85.397 -0.165 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 22 84.262 0.860 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 22 86.199 -0.299 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 22 85.129 -1.455 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 22 86.655 -0.952 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 22 86.451 2.023 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 22 86.909 1.374 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 22 85.562 2.529 -1.383 1.00 0.00 H new ATOM 305 N ARG A 23 83.670 0.317 -4.953 1.00 0.00 N ATOM 306 CA ARG A 23 83.938 0.357 -6.386 1.00 0.00 C ATOM 307 C ARG A 23 83.194 1.527 -7.000 1.00 0.00 C ATOM 308 O ARG A 23 83.641 2.117 -7.985 1.00 0.00 O ATOM 309 CB ARG A 23 83.478 -0.946 -7.061 1.00 0.00 C ATOM 310 CG ARG A 23 84.538 -2.059 -6.913 1.00 0.00 C ATOM 311 CD ARG A 23 84.262 -2.943 -5.688 1.00 0.00 C ATOM 312 NE ARG A 23 83.870 -4.283 -6.119 1.00 0.00 N ATOM 313 CZ ARG A 23 82.609 -4.570 -6.429 1.00 0.00 C ATOM 314 NH1 ARG A 23 81.682 -3.659 -6.314 1.00 0.00 N ATOM 315 NH2 ARG A 23 82.296 -5.770 -6.836 1.00 0.00 N ATOM 0 H ARG A 23 83.178 -0.517 -4.632 1.00 0.00 H new ATOM 0 HA ARG A 23 85.011 0.471 -6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.538 -1.275 -6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 23 83.286 -0.762 -8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 23 84.548 -2.675 -7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 23 85.527 -1.610 -6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 23 85.152 -2.999 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 23 83.472 -2.501 -5.081 1.00 0.00 H new ATOM 0 HE ARG A 23 84.579 -5.014 -6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 23 81.924 -2.724 -5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 23 80.716 -3.882 -6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 23 83.018 -6.486 -6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 23 81.329 -5.992 -7.074 1.00 0.00 H new ATOM 329 N GLU A 24 82.055 1.860 -6.409 1.00 0.00 N ATOM 330 CA GLU A 24 81.256 2.966 -6.906 1.00 0.00 C ATOM 331 C GLU A 24 81.870 4.292 -6.493 1.00 0.00 C ATOM 332 O GLU A 24 81.606 5.327 -7.089 1.00 0.00 O ATOM 333 CB GLU A 24 79.825 2.868 -6.369 1.00 0.00 C ATOM 334 CG GLU A 24 78.969 2.057 -7.343 1.00 0.00 C ATOM 335 CD GLU A 24 77.629 1.720 -6.700 1.00 0.00 C ATOM 336 OE1 GLU A 24 76.816 2.619 -6.561 1.00 0.00 O ATOM 337 OE2 GLU A 24 77.435 0.566 -6.355 1.00 0.00 O ATOM 0 H GLU A 24 81.668 1.385 -5.594 1.00 0.00 H new ATOM 0 HA GLU A 24 81.233 2.912 -7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.825 2.394 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.404 3.865 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 24 78.810 2.624 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 24 79.489 1.141 -7.622 1.00 0.00 H new ATOM 344 N ALA A 25 82.682 4.252 -5.461 1.00 0.00 N ATOM 345 CA ALA A 25 83.321 5.465 -4.966 1.00 0.00 C ATOM 346 C ALA A 25 84.495 5.892 -5.844 1.00 0.00 C ATOM 347 O ALA A 25 84.780 7.083 -5.964 1.00 0.00 O ATOM 348 CB ALA A 25 83.802 5.254 -3.530 1.00 0.00 C ATOM 0 H ALA A 25 82.919 3.403 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 25 82.577 6.261 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 25 84.278 6.165 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 25 82.951 5.012 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 25 84.520 4.434 -3.504 1.00 0.00 H new ATOM 354 N ILE A 26 85.188 4.927 -6.437 1.00 0.00 N ATOM 355 CA ILE A 26 86.340 5.248 -7.273 1.00 0.00 C ATOM 356 C ILE A 26 85.923 5.778 -8.635 1.00 0.00 C ATOM 357 O ILE A 26 86.577 6.666 -9.183 1.00 0.00 O ATOM 358 CB ILE A 26 87.229 4.016 -7.458 1.00 0.00 C ATOM 359 CG1 ILE A 26 88.675 4.470 -7.686 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.753 3.208 -8.668 1.00 0.00 C ATOM 361 CD1 ILE A 26 89.544 3.266 -8.057 1.00 0.00 C ATOM 0 H ILE A 26 84.978 3.932 -6.358 1.00 0.00 H new ATOM 0 HA ILE A 26 86.899 6.030 -6.759 1.00 0.00 H new ATOM 0 HB ILE A 26 87.173 3.391 -6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 26 88.711 5.215 -8.481 1.00 0.00 H new ATOM 0 HG13 ILE A 26 89.063 4.946 -6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.390 2.332 -8.794 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.723 2.888 -8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.806 3.828 -9.563 1.00 0.00 H new ATOM 0 HD11 ILE A 26 90.571 3.594 -8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 26 89.519 2.536 -7.248 1.00 0.00 H new ATOM 0 HD13 ILE A 26 89.162 2.809 -8.970 1.00 0.00 H new ATOM 373 N ASP A 27 84.850 5.237 -9.191 1.00 0.00 N ATOM 374 CA ASP A 27 84.407 5.693 -10.504 1.00 0.00 C ATOM 375 C ASP A 27 83.010 5.189 -10.841 1.00 0.00 C ATOM 376 O ASP A 27 82.770 4.719 -11.954 1.00 0.00 O ATOM 377 CB ASP A 27 85.388 5.216 -11.574 1.00 0.00 C ATOM 378 CG ASP A 27 85.230 6.056 -12.838 1.00 0.00 C ATOM 379 OD1 ASP A 27 84.218 5.904 -13.501 1.00 0.00 O ATOM 380 OD2 ASP A 27 86.121 6.838 -13.121 1.00 0.00 O ATOM 0 H ASP A 27 84.282 4.502 -8.770 1.00 0.00 H new ATOM 0 HA ASP A 27 84.375 6.782 -10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 27 86.410 5.292 -11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 27 85.209 4.165 -11.801 1.00 0.00 H new ATOM 385 N LEU A 28 82.090 5.299 -9.892 1.00 0.00 N ATOM 386 CA LEU A 28 80.719 4.855 -10.135 1.00 0.00 C ATOM 387 C LEU A 28 80.302 5.196 -11.563 1.00 0.00 C ATOM 388 O LEU A 28 80.819 6.142 -12.155 1.00 0.00 O ATOM 389 CB LEU A 28 79.749 5.537 -9.164 1.00 0.00 C ATOM 390 CG LEU A 28 80.218 6.966 -8.869 1.00 0.00 C ATOM 391 CD1 LEU A 28 80.100 7.829 -10.128 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.343 7.557 -7.767 1.00 0.00 C ATOM 0 H LEU A 28 82.260 5.684 -8.963 1.00 0.00 H new ATOM 0 HA LEU A 28 80.684 3.776 -9.984 1.00 0.00 H new ATOM 0 HB2 LEU A 28 78.747 5.556 -9.592 1.00 0.00 H new ATOM 0 HB3 LEU A 28 79.689 4.967 -8.237 1.00 0.00 H new ATOM 0 HG LEU A 28 81.260 6.946 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 28 80.436 8.842 -9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 28 80.719 7.406 -10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 28 79.061 7.854 -10.456 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.669 8.574 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.304 7.571 -8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 28 79.430 6.948 -6.867 1.00 0.00 H new ATOM 404 N PRO A 29 79.380 4.458 -12.124 1.00 0.00 N ATOM 405 CA PRO A 29 78.893 4.711 -13.509 1.00 0.00 C ATOM 406 C PRO A 29 78.421 6.151 -13.679 1.00 0.00 C ATOM 407 O PRO A 29 78.068 6.816 -12.704 1.00 0.00 O ATOM 408 CB PRO A 29 77.731 3.725 -13.696 1.00 0.00 C ATOM 409 CG PRO A 29 77.429 3.169 -12.340 1.00 0.00 C ATOM 410 CD PRO A 29 78.701 3.312 -11.511 1.00 0.00 C ATOM 0 HA PRO A 29 79.680 4.570 -14.250 1.00 0.00 H new ATOM 0 HB2 PRO A 29 76.858 4.227 -14.113 1.00 0.00 H new ATOM 0 HB3 PRO A 29 78.004 2.930 -14.390 1.00 0.00 H new ATOM 0 HG2 PRO A 29 76.603 3.708 -11.876 1.00 0.00 H new ATOM 0 HG3 PRO A 29 77.128 2.124 -12.409 1.00 0.00 H new ATOM 0 HD2 PRO A 29 78.477 3.493 -10.460 1.00 0.00 H new ATOM 0 HD3 PRO A 29 79.313 2.411 -11.556 1.00 0.00 H new ATOM 418 N GLN A 30 78.417 6.629 -14.918 1.00 0.00 N ATOM 419 CA GLN A 30 77.987 7.995 -15.194 1.00 0.00 C ATOM 420 C GLN A 30 76.552 8.216 -14.722 1.00 0.00 C ATOM 421 O GLN A 30 75.990 9.295 -14.904 1.00 0.00 O ATOM 422 CB GLN A 30 78.085 8.278 -16.694 1.00 0.00 C ATOM 423 CG GLN A 30 79.467 8.849 -17.017 1.00 0.00 C ATOM 424 CD GLN A 30 79.553 9.201 -18.498 1.00 0.00 C ATOM 425 OE1 GLN A 30 78.643 9.826 -19.042 1.00 0.00 O ATOM 426 NE2 GLN A 30 80.600 8.837 -19.187 1.00 0.00 N ATOM 0 H GLN A 30 78.703 6.097 -15.740 1.00 0.00 H new ATOM 0 HA GLN A 30 78.641 8.678 -14.651 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.917 7.361 -17.259 1.00 0.00 H new ATOM 0 HB3 GLN A 30 77.310 8.983 -16.993 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.653 9.737 -16.412 1.00 0.00 H new ATOM 0 HG3 GLN A 30 80.238 8.122 -16.762 1.00 0.00 H new ATOM 0 HE21 GLN A 30 81.353 8.319 -18.735 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.665 9.070 -20.178 1.00 0.00 H new ATOM 435 N ASP A 31 75.966 7.188 -14.115 1.00 0.00 N ATOM 436 CA ASP A 31 74.597 7.283 -13.623 1.00 0.00 C ATOM 437 C ASP A 31 74.572 7.793 -12.185 1.00 0.00 C ATOM 438 O ASP A 31 73.533 7.763 -11.526 1.00 0.00 O ATOM 439 CB ASP A 31 73.925 5.911 -13.691 1.00 0.00 C ATOM 440 CG ASP A 31 72.484 6.012 -13.203 1.00 0.00 C ATOM 441 OD1 ASP A 31 71.962 7.114 -13.185 1.00 0.00 O ATOM 442 OD2 ASP A 31 71.925 4.986 -12.852 1.00 0.00 O ATOM 0 H ASP A 31 76.414 6.286 -13.953 1.00 0.00 H new ATOM 0 HA ASP A 31 74.054 7.988 -14.252 1.00 0.00 H new ATOM 0 HB2 ASP A 31 73.946 5.537 -14.715 1.00 0.00 H new ATOM 0 HB3 ASP A 31 74.476 5.196 -13.079 1.00 0.00 H new ATOM 447 N ALA A 32 75.718 8.262 -11.703 1.00 0.00 N ATOM 448 CA ALA A 32 75.809 8.776 -10.341 1.00 0.00 C ATOM 449 C ALA A 32 76.723 9.996 -10.289 1.00 0.00 C ATOM 450 O ALA A 32 77.707 10.012 -9.548 1.00 0.00 O ATOM 451 CB ALA A 32 76.351 7.692 -9.405 1.00 0.00 C ATOM 0 H ALA A 32 76.590 8.297 -12.230 1.00 0.00 H new ATOM 0 HA ALA A 32 74.810 9.068 -10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 32 76.415 8.086 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 32 75.682 6.832 -9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 32 77.342 7.386 -9.739 1.00 0.00 H new ATOM 457 N PRO A 33 76.420 11.012 -11.057 1.00 0.00 N ATOM 458 CA PRO A 33 77.237 12.260 -11.096 1.00 0.00 C ATOM 459 C PRO A 33 77.388 12.877 -9.705 1.00 0.00 C ATOM 460 O PRO A 33 76.799 13.914 -9.399 1.00 0.00 O ATOM 461 CB PRO A 33 76.471 13.192 -12.048 1.00 0.00 C ATOM 462 CG PRO A 33 75.119 12.579 -12.232 1.00 0.00 C ATOM 463 CD PRO A 33 75.272 11.085 -11.968 1.00 0.00 C ATOM 0 HA PRO A 33 78.256 12.073 -11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 33 76.390 14.195 -11.629 1.00 0.00 H new ATOM 0 HB3 PRO A 33 76.989 13.286 -13.002 1.00 0.00 H new ATOM 0 HG2 PRO A 33 74.398 13.021 -11.545 1.00 0.00 H new ATOM 0 HG3 PRO A 33 74.748 12.757 -13.241 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.374 10.664 -11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 33 75.455 10.532 -12.889 1.00 0.00 H new ATOM 471 N ASN A 34 78.181 12.218 -8.868 1.00 0.00 N ATOM 472 CA ASN A 34 78.416 12.684 -7.508 1.00 0.00 C ATOM 473 C ASN A 34 79.236 11.651 -6.742 1.00 0.00 C ATOM 474 O ASN A 34 78.785 11.092 -5.743 1.00 0.00 O ATOM 475 CB ASN A 34 77.081 12.919 -6.796 1.00 0.00 C ATOM 476 CG ASN A 34 76.037 11.929 -7.302 1.00 0.00 C ATOM 477 OD1 ASN A 34 75.935 10.756 -6.738 1.00 0.00 O flip ATOM 478 ND2 ASN A 34 75.294 12.233 -8.235 1.00 0.00 N flip ATOM 0 H ASN A 34 78.673 11.357 -9.109 1.00 0.00 H new ATOM 0 HA ASN A 34 78.968 13.623 -7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 34 77.209 12.806 -5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 34 76.741 13.940 -6.971 1.00 0.00 H new ATOM 0 HD21 ASN A 34 75.376 13.150 -8.674 1.00 0.00 H new ATOM 0 HD22 ASN A 34 74.597 11.568 -8.569 1.00 0.00 H new ATOM 485 N ARG A 35 80.444 11.398 -7.235 1.00 0.00 N ATOM 486 CA ARG A 35 81.335 10.423 -6.615 1.00 0.00 C ATOM 487 C ARG A 35 81.532 10.727 -5.131 1.00 0.00 C ATOM 488 O ARG A 35 81.880 9.843 -4.349 1.00 0.00 O ATOM 489 CB ARG A 35 82.696 10.438 -7.320 1.00 0.00 C ATOM 490 CG ARG A 35 82.546 9.948 -8.767 1.00 0.00 C ATOM 491 CD ARG A 35 81.892 11.025 -9.642 1.00 0.00 C ATOM 492 NE ARG A 35 82.385 10.922 -11.012 1.00 0.00 N ATOM 493 CZ ARG A 35 83.649 11.198 -11.311 1.00 0.00 C ATOM 494 NH1 ARG A 35 84.474 11.577 -10.373 1.00 0.00 N ATOM 495 NH2 ARG A 35 84.068 11.093 -12.543 1.00 0.00 N ATOM 0 H ARG A 35 80.829 11.854 -8.062 1.00 0.00 H new ATOM 0 HA ARG A 35 80.879 9.438 -6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.108 11.447 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 35 83.399 9.801 -6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.525 9.689 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 35 81.943 9.040 -8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 35 80.808 10.909 -9.627 1.00 0.00 H new ATOM 0 HD3 ARG A 35 82.112 12.014 -9.241 1.00 0.00 H new ATOM 0 HE ARG A 35 81.747 10.633 -11.753 1.00 0.00 H new ATOM 0 HH11 ARG A 35 84.148 11.661 -9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 35 85.445 11.789 -10.603 1.00 0.00 H new ATOM 0 HH21 ARG A 35 83.424 10.799 -13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 35 85.039 11.305 -12.771 1.00 0.00 H new ATOM 509 N GLN A 36 81.320 11.983 -4.752 1.00 0.00 N ATOM 510 CA GLN A 36 81.492 12.391 -3.360 1.00 0.00 C ATOM 511 C GLN A 36 80.317 11.936 -2.496 1.00 0.00 C ATOM 512 O GLN A 36 80.510 11.420 -1.395 1.00 0.00 O ATOM 513 CB GLN A 36 81.625 13.912 -3.279 1.00 0.00 C ATOM 514 CG GLN A 36 81.699 14.338 -1.812 1.00 0.00 C ATOM 515 CD GLN A 36 82.200 15.775 -1.711 1.00 0.00 C ATOM 516 OE1 GLN A 36 83.197 16.132 -2.338 1.00 0.00 O ATOM 517 NE2 GLN A 36 81.562 16.627 -0.955 1.00 0.00 N ATOM 0 H GLN A 36 81.031 12.731 -5.382 1.00 0.00 H new ATOM 0 HA GLN A 36 82.398 11.918 -2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 36 82.519 14.239 -3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 36 80.774 14.389 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 36 80.715 14.254 -1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 36 82.366 13.672 -1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 36 80.736 16.329 -0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 36 81.890 17.590 -0.883 1.00 0.00 H new ATOM 526 N GLU A 37 79.100 12.143 -2.990 1.00 0.00 N ATOM 527 CA GLU A 37 77.907 11.762 -2.238 1.00 0.00 C ATOM 528 C GLU A 37 77.849 10.255 -2.021 1.00 0.00 C ATOM 529 O GLU A 37 77.775 9.789 -0.883 1.00 0.00 O ATOM 530 CB GLU A 37 76.647 12.218 -2.978 1.00 0.00 C ATOM 531 CG GLU A 37 76.761 13.705 -3.319 1.00 0.00 C ATOM 532 CD GLU A 37 76.557 14.545 -2.063 1.00 0.00 C ATOM 533 OE1 GLU A 37 75.415 14.847 -1.755 1.00 0.00 O ATOM 534 OE2 GLU A 37 77.545 14.874 -1.427 1.00 0.00 O ATOM 0 H GLU A 37 78.914 12.568 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 37 77.958 12.251 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 37 76.517 11.635 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.767 12.043 -2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.740 13.914 -3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.018 13.972 -4.070 1.00 0.00 H new ATOM 541 N VAL A 38 77.879 9.493 -3.109 1.00 0.00 N ATOM 542 CA VAL A 38 77.825 8.041 -2.997 1.00 0.00 C ATOM 543 C VAL A 38 78.861 7.556 -1.993 1.00 0.00 C ATOM 544 O VAL A 38 78.619 6.614 -1.240 1.00 0.00 O ATOM 545 CB VAL A 38 78.083 7.402 -4.359 1.00 0.00 C ATOM 546 CG1 VAL A 38 78.155 5.881 -4.205 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.944 7.762 -5.319 1.00 0.00 C ATOM 0 H VAL A 38 77.939 9.849 -4.063 1.00 0.00 H new ATOM 0 HA VAL A 38 76.833 7.751 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 38 79.027 7.773 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.339 5.425 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.966 5.622 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.212 5.511 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 38 77.129 7.305 -6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 38 76.000 7.392 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.891 8.845 -5.431 1.00 0.00 H new ATOM 557 N GLN A 39 80.014 8.217 -1.980 1.00 0.00 N ATOM 558 CA GLN A 39 81.078 7.852 -1.056 1.00 0.00 C ATOM 559 C GLN A 39 80.626 8.080 0.383 1.00 0.00 C ATOM 560 O GLN A 39 81.048 7.371 1.296 1.00 0.00 O ATOM 561 CB GLN A 39 82.329 8.688 -1.339 1.00 0.00 C ATOM 562 CG GLN A 39 83.487 8.183 -0.476 1.00 0.00 C ATOM 563 CD GLN A 39 84.812 8.678 -1.043 1.00 0.00 C ATOM 564 OE1 GLN A 39 85.598 7.843 -1.665 1.00 0.00 O flip ATOM 565 NE2 GLN A 39 85.142 9.857 -0.914 1.00 0.00 N flip ATOM 0 H GLN A 39 80.233 9.002 -2.594 1.00 0.00 H new ATOM 0 HA GLN A 39 81.312 6.796 -1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.592 8.622 -2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.133 9.739 -1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.367 8.533 0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 39 83.480 7.093 -0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 39 84.526 10.509 -0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 39 86.031 10.182 -1.294 1.00 0.00 H new ATOM 574 N ASP A 40 79.760 9.073 0.576 1.00 0.00 N ATOM 575 CA ASP A 40 79.253 9.382 1.907 1.00 0.00 C ATOM 576 C ASP A 40 78.445 8.209 2.455 1.00 0.00 C ATOM 577 O ASP A 40 78.449 7.946 3.658 1.00 0.00 O ATOM 578 CB ASP A 40 78.374 10.632 1.854 1.00 0.00 C ATOM 579 CG ASP A 40 78.758 11.588 2.977 1.00 0.00 C ATOM 580 OD1 ASP A 40 78.347 11.349 4.100 1.00 0.00 O ATOM 581 OD2 ASP A 40 79.460 12.547 2.697 1.00 0.00 O ATOM 0 H ASP A 40 79.399 9.671 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 40 80.101 9.565 2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 40 78.489 11.126 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 40 77.324 10.353 1.946 1.00 0.00 H new ATOM 586 N THR A 41 77.753 7.506 1.564 1.00 0.00 N ATOM 587 CA THR A 41 76.946 6.361 1.969 1.00 0.00 C ATOM 588 C THR A 41 77.835 5.262 2.537 1.00 0.00 C ATOM 589 O THR A 41 77.456 4.569 3.481 1.00 0.00 O ATOM 590 CB THR A 41 76.161 5.824 0.769 1.00 0.00 C ATOM 591 OG1 THR A 41 75.071 6.692 0.494 1.00 0.00 O ATOM 592 CG2 THR A 41 75.635 4.424 1.086 1.00 0.00 C ATOM 0 H THR A 41 77.735 7.707 0.564 1.00 0.00 H new ATOM 0 HA THR A 41 76.246 6.682 2.741 1.00 0.00 H new ATOM 0 HB THR A 41 76.815 5.774 -0.102 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.568 6.352 -0.275 1.00 0.00 H new ATOM 0 HG21 THR A 41 75.076 4.043 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.473 3.760 1.297 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.980 4.470 1.956 1.00 0.00 H new ATOM 600 N ALA A 42 79.021 5.111 1.958 1.00 0.00 N ATOM 601 CA ALA A 42 79.961 4.096 2.418 1.00 0.00 C ATOM 602 C ALA A 42 80.511 4.468 3.791 1.00 0.00 C ATOM 603 O ALA A 42 80.793 3.596 4.615 1.00 0.00 O ATOM 604 CB ALA A 42 81.114 3.960 1.423 1.00 0.00 C ATOM 0 H ALA A 42 79.353 5.674 1.175 1.00 0.00 H new ATOM 0 HA ALA A 42 79.435 3.144 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.811 3.200 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.721 3.669 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.633 4.915 1.335 1.00 0.00 H new ATOM 610 N ARG A 43 80.659 5.766 4.031 1.00 0.00 N ATOM 611 CA ARG A 43 81.175 6.243 5.308 1.00 0.00 C ATOM 612 C ARG A 43 80.261 5.809 6.449 1.00 0.00 C ATOM 613 O ARG A 43 80.724 5.509 7.549 1.00 0.00 O ATOM 614 CB ARG A 43 81.285 7.769 5.294 1.00 0.00 C ATOM 615 CG ARG A 43 82.631 8.181 4.693 1.00 0.00 C ATOM 616 CD ARG A 43 82.667 9.699 4.516 1.00 0.00 C ATOM 617 NE ARG A 43 81.864 10.348 5.547 1.00 0.00 N ATOM 618 CZ ARG A 43 81.283 11.524 5.328 1.00 0.00 C ATOM 619 NH1 ARG A 43 81.426 12.120 4.176 1.00 0.00 N ATOM 620 NH2 ARG A 43 80.568 12.083 6.267 1.00 0.00 N ATOM 0 H ARG A 43 80.431 6.502 3.363 1.00 0.00 H new ATOM 0 HA ARG A 43 82.164 5.811 5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 43 80.469 8.197 4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 43 81.193 8.160 6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 43 83.445 7.861 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 43 82.778 7.689 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 43 83.696 10.054 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 43 82.289 9.966 3.529 1.00 0.00 H new ATOM 0 HE ARG A 43 81.746 9.892 6.452 1.00 0.00 H new ATOM 0 HH11 ARG A 43 81.984 11.684 3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 43 80.980 13.022 4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 43 80.456 11.618 7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 43 80.122 12.985 6.100 1.00 0.00 H new ATOM 634 N GLY A 44 78.960 5.777 6.178 1.00 0.00 N ATOM 635 CA GLY A 44 77.991 5.377 7.192 1.00 0.00 C ATOM 636 C GLY A 44 78.286 3.970 7.696 1.00 0.00 C ATOM 637 O GLY A 44 78.388 3.742 8.902 1.00 0.00 O ATOM 0 H GLY A 44 78.555 6.021 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 44 78.018 6.080 8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 44 76.985 5.415 6.775 1.00 0.00 H new ATOM 641 N GLN A 45 78.428 3.032 6.767 1.00 0.00 N ATOM 642 CA GLN A 45 78.718 1.646 7.126 1.00 0.00 C ATOM 643 C GLN A 45 80.052 1.550 7.854 1.00 0.00 C ATOM 644 O GLN A 45 80.166 0.864 8.864 1.00 0.00 O ATOM 645 CB GLN A 45 78.757 0.778 5.867 1.00 0.00 C ATOM 646 CG GLN A 45 77.349 0.671 5.278 1.00 0.00 C ATOM 647 CD GLN A 45 76.847 -0.766 5.382 1.00 0.00 C ATOM 648 OE1 GLN A 45 76.974 -1.395 6.432 1.00 0.00 O ATOM 649 NE2 GLN A 45 76.279 -1.324 4.348 1.00 0.00 N ATOM 0 H GLN A 45 78.348 3.203 5.765 1.00 0.00 H new ATOM 0 HA GLN A 45 77.930 1.289 7.789 1.00 0.00 H new ATOM 0 HB2 GLN A 45 79.437 1.212 5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 45 79.138 -0.214 6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.672 1.341 5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 45 77.357 0.987 4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 45 76.175 -0.800 3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 45 75.939 -2.284 4.409 1.00 0.00 H new ATOM 658 N ILE A 46 81.060 2.244 7.336 1.00 0.00 N ATOM 659 CA ILE A 46 82.382 2.224 7.950 1.00 0.00 C ATOM 660 C ILE A 46 82.303 2.606 9.421 1.00 0.00 C ATOM 661 O ILE A 46 82.947 1.987 10.264 1.00 0.00 O ATOM 662 CB ILE A 46 83.315 3.189 7.216 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.799 2.541 5.917 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.517 3.515 8.103 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.352 3.620 4.983 1.00 0.00 C ATOM 0 H ILE A 46 80.988 2.823 6.499 1.00 0.00 H new ATOM 0 HA ILE A 46 82.777 1.211 7.876 1.00 0.00 H new ATOM 0 HB ILE A 46 82.777 4.108 6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 46 84.570 1.802 6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 46 82.977 2.013 5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.180 4.203 7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 46 84.172 3.978 9.028 1.00 0.00 H new ATOM 0 HG23 ILE A 46 85.057 2.597 8.336 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.697 3.158 4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 46 83.568 4.343 4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.186 4.128 5.468 1.00 0.00 H new ATOM 677 N ASN A 47 81.511 3.625 9.728 1.00 0.00 N ATOM 678 CA ASN A 47 81.372 4.061 11.110 1.00 0.00 C ATOM 679 C ASN A 47 80.993 2.883 11.996 1.00 0.00 C ATOM 680 O ASN A 47 81.672 2.591 12.979 1.00 0.00 O ATOM 681 CB ASN A 47 80.305 5.151 11.216 1.00 0.00 C ATOM 682 CG ASN A 47 80.899 6.503 10.837 1.00 0.00 C ATOM 683 OD1 ASN A 47 81.931 6.552 10.039 1.00 0.00 O flip ATOM 684 ND2 ASN A 47 80.411 7.542 11.280 1.00 0.00 N flip ATOM 0 H ASN A 47 80.964 4.157 9.051 1.00 0.00 H new ATOM 0 HA ASN A 47 82.327 4.466 11.444 1.00 0.00 H new ATOM 0 HB2 ASN A 47 79.467 4.916 10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 47 79.913 5.189 12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 47 79.605 7.501 11.903 1.00 0.00 H new ATOM 0 HD22 ASN A 47 80.813 8.444 11.024 1.00 0.00 H new ATOM 691 N ASP A 48 79.913 2.201 11.637 1.00 0.00 N ATOM 692 CA ASP A 48 79.466 1.049 12.406 1.00 0.00 C ATOM 693 C ASP A 48 80.422 -0.120 12.206 1.00 0.00 C ATOM 694 O ASP A 48 80.847 -0.760 13.165 1.00 0.00 O ATOM 695 CB ASP A 48 78.058 0.641 11.971 1.00 0.00 C ATOM 696 CG ASP A 48 77.889 0.872 10.473 1.00 0.00 C ATOM 697 OD1 ASP A 48 77.544 1.980 10.101 1.00 0.00 O ATOM 698 OD2 ASP A 48 78.109 -0.063 9.721 1.00 0.00 O ATOM 0 H ASP A 48 79.336 2.423 10.826 1.00 0.00 H new ATOM 0 HA ASP A 48 79.450 1.320 13.462 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.885 -0.409 12.207 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.316 1.218 12.523 1.00 0.00 H new ATOM 703 N TYR A 49 80.763 -0.391 10.954 1.00 0.00 N ATOM 704 CA TYR A 49 81.671 -1.486 10.649 1.00 0.00 C ATOM 705 C TYR A 49 82.910 -1.402 11.534 1.00 0.00 C ATOM 706 O TYR A 49 83.248 -2.356 12.236 1.00 0.00 O ATOM 707 CB TYR A 49 82.091 -1.431 9.176 1.00 0.00 C ATOM 708 CG TYR A 49 82.556 -2.795 8.718 1.00 0.00 C ATOM 709 CD1 TYR A 49 83.730 -3.355 9.242 1.00 0.00 C ATOM 710 CD2 TYR A 49 81.814 -3.500 7.762 1.00 0.00 C ATOM 711 CE1 TYR A 49 84.157 -4.616 8.810 1.00 0.00 C ATOM 712 CE2 TYR A 49 82.242 -4.760 7.331 1.00 0.00 C ATOM 713 CZ TYR A 49 83.413 -5.319 7.855 1.00 0.00 C ATOM 714 OH TYR A 49 83.836 -6.562 7.428 1.00 0.00 O ATOM 0 H TYR A 49 80.428 0.126 10.141 1.00 0.00 H new ATOM 0 HA TYR A 49 81.155 -2.427 10.840 1.00 0.00 H new ATOM 0 HB2 TYR A 49 81.253 -1.099 8.563 1.00 0.00 H new ATOM 0 HB3 TYR A 49 82.891 -0.702 9.045 1.00 0.00 H new ATOM 0 HD1 TYR A 49 84.305 -2.813 9.979 1.00 0.00 H new ATOM 0 HD2 TYR A 49 80.910 -3.070 7.357 1.00 0.00 H new ATOM 0 HE1 TYR A 49 85.061 -5.047 9.214 1.00 0.00 H new ATOM 0 HE2 TYR A 49 81.668 -5.302 6.593 1.00 0.00 H new ATOM 0 HH TYR A 49 83.325 -7.258 7.891 1.00 0.00 H new ATOM 724 N ILE A 50 83.583 -0.256 11.503 1.00 0.00 N ATOM 725 CA ILE A 50 84.778 -0.066 12.315 1.00 0.00 C ATOM 726 C ILE A 50 84.407 0.132 13.782 1.00 0.00 C ATOM 727 O ILE A 50 85.222 -0.102 14.674 1.00 0.00 O ATOM 728 CB ILE A 50 85.574 1.145 11.812 1.00 0.00 C ATOM 729 CG1 ILE A 50 86.525 0.701 10.697 1.00 0.00 C ATOM 730 CG2 ILE A 50 86.391 1.743 12.959 1.00 0.00 C ATOM 731 CD1 ILE A 50 85.715 0.166 9.515 1.00 0.00 C ATOM 0 H ILE A 50 83.324 0.547 10.930 1.00 0.00 H new ATOM 0 HA ILE A 50 85.395 -0.960 12.229 1.00 0.00 H new ATOM 0 HB ILE A 50 84.881 1.895 11.431 1.00 0.00 H new ATOM 0 HG12 ILE A 50 87.143 1.540 10.377 1.00 0.00 H new ATOM 0 HG13 ILE A 50 87.200 -0.070 11.067 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.954 2.603 12.595 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.720 2.060 13.757 1.00 0.00 H new ATOM 0 HG23 ILE A 50 87.082 0.993 13.343 1.00 0.00 H new ATOM 0 HD11 ILE A 50 86.393 -0.150 8.722 1.00 0.00 H new ATOM 0 HD12 ILE A 50 85.116 -0.685 9.840 1.00 0.00 H new ATOM 0 HD13 ILE A 50 85.058 0.950 9.139 1.00 0.00 H new ATOM 743 N SER A 51 83.178 0.582 14.028 1.00 0.00 N ATOM 744 CA SER A 51 82.734 0.824 15.400 1.00 0.00 C ATOM 745 C SER A 51 81.645 -0.154 15.839 1.00 0.00 C ATOM 746 O SER A 51 80.640 0.253 16.421 1.00 0.00 O ATOM 747 CB SER A 51 82.213 2.255 15.537 1.00 0.00 C ATOM 748 OG SER A 51 82.295 2.656 16.900 1.00 0.00 O ATOM 0 H SER A 51 82.482 0.784 13.310 1.00 0.00 H new ATOM 0 HA SER A 51 83.598 0.674 16.047 1.00 0.00 H new ATOM 0 HB2 SER A 51 82.798 2.929 14.912 1.00 0.00 H new ATOM 0 HB3 SER A 51 81.181 2.314 15.190 1.00 0.00 H new ATOM 0 HG SER A 51 81.755 2.052 17.452 1.00 0.00 H new ATOM 754 N ARG A 52 81.860 -1.440 15.585 1.00 0.00 N ATOM 755 CA ARG A 52 80.893 -2.461 15.991 1.00 0.00 C ATOM 756 C ARG A 52 81.157 -3.783 15.277 1.00 0.00 C ATOM 757 O ARG A 52 81.276 -4.827 15.920 1.00 0.00 O ATOM 758 CB ARG A 52 79.461 -1.998 15.705 1.00 0.00 C ATOM 759 CG ARG A 52 78.559 -3.218 15.491 1.00 0.00 C ATOM 760 CD ARG A 52 77.096 -2.809 15.669 1.00 0.00 C ATOM 761 NE ARG A 52 76.703 -2.936 17.069 1.00 0.00 N ATOM 762 CZ ARG A 52 76.487 -4.127 17.616 1.00 0.00 C ATOM 763 NH1 ARG A 52 76.623 -5.208 16.898 1.00 0.00 N ATOM 764 NH2 ARG A 52 76.137 -4.216 18.869 1.00 0.00 N ATOM 0 H ARG A 52 82.685 -1.801 15.105 1.00 0.00 H new ATOM 0 HA ARG A 52 81.009 -2.614 17.064 1.00 0.00 H new ATOM 0 HB2 ARG A 52 79.089 -1.399 16.536 1.00 0.00 H new ATOM 0 HB3 ARG A 52 79.444 -1.361 14.821 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.714 -3.628 14.493 1.00 0.00 H new ATOM 0 HG3 ARG A 52 78.817 -4.003 16.201 1.00 0.00 H new ATOM 0 HD2 ARG A 52 76.955 -1.781 15.336 1.00 0.00 H new ATOM 0 HD3 ARG A 52 76.457 -3.436 15.046 1.00 0.00 H new ATOM 0 HE ARG A 52 76.592 -2.096 17.637 1.00 0.00 H new ATOM 0 HH11 ARG A 52 76.895 -5.138 15.917 1.00 0.00 H new ATOM 0 HH12 ARG A 52 76.457 -6.123 17.317 1.00 0.00 H new ATOM 0 HH21 ARG A 52 76.029 -3.371 19.430 1.00 0.00 H new ATOM 0 HH22 ARG A 52 75.971 -5.131 19.288 1.00 0.00 H new ATOM 778 N TYR A 53 81.248 -3.739 13.952 1.00 0.00 N ATOM 779 CA TYR A 53 81.497 -4.954 13.182 1.00 0.00 C ATOM 780 C TYR A 53 82.818 -4.858 12.430 1.00 0.00 C ATOM 781 O TYR A 53 82.843 -4.795 11.201 1.00 0.00 O ATOM 782 CB TYR A 53 80.357 -5.201 12.191 1.00 0.00 C ATOM 783 CG TYR A 53 80.664 -6.437 11.382 1.00 0.00 C ATOM 784 CD1 TYR A 53 80.647 -7.694 11.997 1.00 0.00 C ATOM 785 CD2 TYR A 53 80.970 -6.328 10.021 1.00 0.00 C ATOM 786 CE1 TYR A 53 80.935 -8.843 11.250 1.00 0.00 C ATOM 787 CE2 TYR A 53 81.258 -7.477 9.274 1.00 0.00 C ATOM 788 CZ TYR A 53 81.241 -8.734 9.888 1.00 0.00 C ATOM 789 OH TYR A 53 81.525 -9.866 9.153 1.00 0.00 O ATOM 0 H TYR A 53 81.155 -2.890 13.395 1.00 0.00 H new ATOM 0 HA TYR A 53 81.552 -5.789 13.880 1.00 0.00 H new ATOM 0 HB2 TYR A 53 79.415 -5.326 12.725 1.00 0.00 H new ATOM 0 HB3 TYR A 53 80.238 -4.341 11.532 1.00 0.00 H new ATOM 0 HD1 TYR A 53 80.412 -7.778 13.048 1.00 0.00 H new ATOM 0 HD2 TYR A 53 80.984 -5.358 9.547 1.00 0.00 H new ATOM 0 HE1 TYR A 53 80.921 -9.813 11.724 1.00 0.00 H new ATOM 0 HE2 TYR A 53 81.493 -7.393 8.223 1.00 0.00 H new ATOM 0 HH TYR A 53 80.838 -10.545 9.319 1.00 0.00 H new ATOM 799 N ARG A 54 83.916 -4.851 13.179 1.00 0.00 N ATOM 800 CA ARG A 54 85.241 -4.767 12.578 1.00 0.00 C ATOM 801 C ARG A 54 85.809 -6.164 12.342 1.00 0.00 C ATOM 802 O ARG A 54 86.546 -6.391 11.384 1.00 0.00 O ATOM 803 CB ARG A 54 86.180 -3.980 13.493 1.00 0.00 C ATOM 804 CG ARG A 54 85.461 -3.657 14.805 1.00 0.00 C ATOM 805 CD ARG A 54 86.410 -2.903 15.737 1.00 0.00 C ATOM 806 NE ARG A 54 87.278 -3.840 16.439 1.00 0.00 N ATOM 807 CZ ARG A 54 86.812 -4.605 17.422 1.00 0.00 C ATOM 808 NH1 ARG A 54 85.556 -4.524 17.771 1.00 0.00 N ATOM 809 NH2 ARG A 54 87.607 -5.436 18.036 1.00 0.00 N ATOM 0 H ARG A 54 83.914 -4.902 14.198 1.00 0.00 H new ATOM 0 HA ARG A 54 85.155 -4.254 11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.081 -4.560 13.693 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.496 -3.059 13.003 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.575 -3.054 14.607 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.121 -4.577 15.281 1.00 0.00 H new ATOM 0 HD2 ARG A 54 87.012 -2.199 15.163 1.00 0.00 H new ATOM 0 HD3 ARG A 54 85.836 -2.319 16.457 1.00 0.00 H new ATOM 0 HE ARG A 54 88.260 -3.910 16.172 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.934 -3.875 17.290 1.00 0.00 H new ATOM 0 HH12 ARG A 54 85.197 -5.110 18.525 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.588 -5.500 17.763 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.248 -6.022 18.790 1.00 0.00 H new ATOM 823 N ARG A 55 85.459 -7.094 13.225 1.00 0.00 N ATOM 824 CA ARG A 55 85.937 -8.466 13.105 1.00 0.00 C ATOM 825 C ARG A 55 84.765 -9.439 13.040 1.00 0.00 C ATOM 826 O ARG A 55 83.620 -9.065 13.288 1.00 0.00 O ATOM 827 CB ARG A 55 86.824 -8.814 14.302 1.00 0.00 C ATOM 828 CG ARG A 55 88.177 -9.327 13.805 1.00 0.00 C ATOM 829 CD ARG A 55 89.001 -9.822 14.994 1.00 0.00 C ATOM 830 NE ARG A 55 88.726 -11.232 15.244 1.00 0.00 N ATOM 831 CZ ARG A 55 88.788 -11.740 16.472 1.00 0.00 C ATOM 832 NH1 ARG A 55 89.108 -10.977 17.482 1.00 0.00 N ATOM 833 NH2 ARG A 55 88.532 -13.005 16.668 1.00 0.00 N ATOM 0 H ARG A 55 84.851 -6.924 14.026 1.00 0.00 H new ATOM 0 HA ARG A 55 86.515 -8.550 12.185 1.00 0.00 H new ATOM 0 HB2 ARG A 55 86.965 -7.935 14.931 1.00 0.00 H new ATOM 0 HB3 ARG A 55 86.340 -9.572 14.918 1.00 0.00 H new ATOM 0 HG2 ARG A 55 88.031 -10.135 13.088 1.00 0.00 H new ATOM 0 HG3 ARG A 55 88.711 -8.532 13.284 1.00 0.00 H new ATOM 0 HD2 ARG A 55 90.063 -9.681 14.794 1.00 0.00 H new ATOM 0 HD3 ARG A 55 88.763 -9.235 15.881 1.00 0.00 H new ATOM 0 HE ARG A 55 88.481 -11.840 14.463 1.00 0.00 H new ATOM 0 HH11 ARG A 55 89.311 -9.989 17.331 1.00 0.00 H new ATOM 0 HH12 ARG A 55 89.155 -11.369 18.423 1.00 0.00 H new ATOM 0 HH21 ARG A 55 88.285 -13.603 15.880 1.00 0.00 H new ATOM 0 HH22 ARG A 55 88.579 -13.395 17.609 1.00 0.00 H new ATOM 847 N LYS A 56 85.063 -10.690 12.703 1.00 0.00 N ATOM 848 CA LYS A 56 84.031 -11.716 12.608 1.00 0.00 C ATOM 849 C LYS A 56 84.550 -13.042 13.152 1.00 0.00 C ATOM 850 O LYS A 56 84.184 -14.110 12.664 1.00 0.00 O ATOM 851 CB LYS A 56 83.605 -11.895 11.150 1.00 0.00 C ATOM 852 CG LYS A 56 84.701 -12.643 10.389 1.00 0.00 C ATOM 853 CD LYS A 56 84.750 -12.148 8.943 1.00 0.00 C ATOM 854 CE LYS A 56 85.606 -13.099 8.105 1.00 0.00 C ATOM 855 NZ LYS A 56 85.885 -12.479 6.779 1.00 0.00 N ATOM 0 H LYS A 56 86.006 -11.016 12.492 1.00 0.00 H new ATOM 0 HA LYS A 56 83.173 -11.400 13.201 1.00 0.00 H new ATOM 0 HB2 LYS A 56 82.668 -12.450 11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 56 83.426 -10.923 10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 56 85.666 -12.485 10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 56 84.506 -13.715 10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 56 83.742 -12.092 8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.165 -11.141 8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 56 86.541 -13.314 8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 56 85.089 -14.049 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 86.255 -13.202 6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.006 -12.081 6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 86.589 -11.721 6.891 1.00 0.00 H new ATOM 869 N GLY A 57 85.411 -12.963 14.160 1.00 0.00 N ATOM 870 CA GLY A 57 85.982 -14.163 14.759 1.00 0.00 C ATOM 871 C GLY A 57 87.318 -14.502 14.107 1.00 0.00 C ATOM 872 O GLY A 57 88.098 -15.293 14.637 1.00 0.00 O ATOM 0 H GLY A 57 85.727 -12.087 14.577 1.00 0.00 H new ATOM 0 HA2 GLY A 57 86.121 -14.011 15.829 1.00 0.00 H new ATOM 0 HA3 GLY A 57 85.292 -14.998 14.643 1.00 0.00 H new ATOM 876 N ASP A 58 87.575 -13.891 12.955 1.00 0.00 N ATOM 877 CA ASP A 58 88.819 -14.128 12.233 1.00 0.00 C ATOM 878 C ASP A 58 88.898 -15.574 11.759 1.00 0.00 C ATOM 879 O ASP A 58 89.213 -16.478 12.534 1.00 0.00 O ATOM 880 CB ASP A 58 90.013 -13.816 13.138 1.00 0.00 C ATOM 881 CG ASP A 58 91.261 -13.582 12.293 1.00 0.00 C ATOM 882 OD1 ASP A 58 91.232 -13.921 11.121 1.00 0.00 O ATOM 883 OD2 ASP A 58 92.228 -13.067 12.830 1.00 0.00 O ATOM 0 H ASP A 58 86.942 -13.231 12.503 1.00 0.00 H new ATOM 0 HA ASP A 58 88.843 -13.474 11.362 1.00 0.00 H new ATOM 0 HB2 ASP A 58 89.802 -12.933 13.741 1.00 0.00 H new ATOM 0 HB3 ASP A 58 90.181 -14.642 13.829 1.00 0.00 H new ATOM 912 N LEU A 62 92.365 -12.386 6.066 1.00 0.00 N ATOM 913 CA LEU A 62 92.452 -12.155 4.629 1.00 0.00 C ATOM 914 C LEU A 62 93.105 -10.807 4.344 1.00 0.00 C ATOM 915 O LEU A 62 93.451 -10.065 5.264 1.00 0.00 O ATOM 916 CB LEU A 62 91.056 -12.191 3.999 1.00 0.00 C ATOM 917 CG LEU A 62 89.992 -12.241 5.097 1.00 0.00 C ATOM 918 CD1 LEU A 62 88.604 -12.083 4.471 1.00 0.00 C ATOM 919 CD2 LEU A 62 90.069 -13.585 5.824 1.00 0.00 C ATOM 0 HA LEU A 62 93.063 -12.945 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 62 90.906 -11.310 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 62 90.963 -13.061 3.350 1.00 0.00 H new ATOM 0 HG LEU A 62 90.167 -11.432 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 62 87.846 -12.119 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 62 88.546 -11.126 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 62 88.431 -12.892 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 62 89.311 -13.620 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 62 89.895 -14.393 5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 62 91.056 -13.701 6.271 1.00 0.00 H new ATOM 931 N LYS A 63 93.270 -10.495 3.063 1.00 0.00 N ATOM 932 CA LYS A 63 93.882 -9.233 2.668 1.00 0.00 C ATOM 933 C LYS A 63 92.810 -8.209 2.308 1.00 0.00 C ATOM 934 O LYS A 63 93.013 -7.004 2.459 1.00 0.00 O ATOM 935 CB LYS A 63 94.805 -9.453 1.470 1.00 0.00 C ATOM 936 CG LYS A 63 94.460 -10.784 0.798 1.00 0.00 C ATOM 937 CD LYS A 63 95.144 -10.857 -0.568 1.00 0.00 C ATOM 938 CE LYS A 63 94.758 -12.165 -1.263 1.00 0.00 C ATOM 939 NZ LYS A 63 94.365 -11.881 -2.672 1.00 0.00 N ATOM 0 H LYS A 63 92.991 -11.094 2.286 1.00 0.00 H new ATOM 0 HA LYS A 63 94.464 -8.853 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 63 94.696 -8.635 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 63 95.846 -9.456 1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 63 94.785 -11.615 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.380 -10.876 0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.847 -10.006 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.226 -10.802 -0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 63 95.596 -12.862 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 63 93.933 -12.641 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 93.636 -12.559 -2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 93.988 -10.914 -2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 95.197 -11.972 -3.289 1.00 0.00 H new ATOM 953 N SER A 64 91.670 -8.697 1.833 1.00 0.00 N ATOM 954 CA SER A 64 90.571 -7.815 1.455 1.00 0.00 C ATOM 955 C SER A 64 90.104 -6.998 2.656 1.00 0.00 C ATOM 956 O SER A 64 89.901 -5.788 2.553 1.00 0.00 O ATOM 957 CB SER A 64 89.404 -8.638 0.910 1.00 0.00 C ATOM 958 OG SER A 64 89.083 -8.188 -0.400 1.00 0.00 O ATOM 0 H SER A 64 91.483 -9.691 1.701 1.00 0.00 H new ATOM 0 HA SER A 64 90.926 -7.134 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 64 89.668 -9.695 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 64 88.537 -8.539 1.564 1.00 0.00 H new ATOM 0 HG SER A 64 88.336 -8.715 -0.753 1.00 0.00 H new ATOM 964 N PHE A 65 89.937 -7.666 3.793 1.00 0.00 N ATOM 965 CA PHE A 65 89.495 -6.988 5.007 1.00 0.00 C ATOM 966 C PHE A 65 90.514 -5.937 5.431 1.00 0.00 C ATOM 967 O PHE A 65 90.151 -4.859 5.900 1.00 0.00 O ATOM 968 CB PHE A 65 89.301 -8.004 6.135 1.00 0.00 C ATOM 969 CG PHE A 65 90.353 -7.788 7.199 1.00 0.00 C ATOM 970 CD1 PHE A 65 90.182 -6.785 8.160 1.00 0.00 C ATOM 971 CD2 PHE A 65 91.499 -8.593 7.224 1.00 0.00 C ATOM 972 CE1 PHE A 65 91.156 -6.587 9.147 1.00 0.00 C ATOM 973 CE2 PHE A 65 92.472 -8.394 8.210 1.00 0.00 C ATOM 974 CZ PHE A 65 92.300 -7.392 9.172 1.00 0.00 C ATOM 0 H PHE A 65 90.099 -8.667 3.899 1.00 0.00 H new ATOM 0 HA PHE A 65 88.545 -6.495 4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.306 -7.898 6.567 1.00 0.00 H new ATOM 0 HB3 PHE A 65 89.371 -9.018 5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 65 89.299 -6.164 8.141 1.00 0.00 H new ATOM 0 HD2 PHE A 65 91.632 -9.367 6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 65 91.024 -5.813 9.889 1.00 0.00 H new ATOM 0 HE2 PHE A 65 93.356 -9.014 8.229 1.00 0.00 H new ATOM 0 HZ PHE A 65 93.050 -7.240 9.934 1.00 0.00 H new ATOM 984 N THR A 66 91.792 -6.258 5.259 1.00 0.00 N ATOM 985 CA THR A 66 92.856 -5.331 5.625 1.00 0.00 C ATOM 986 C THR A 66 92.844 -4.115 4.703 1.00 0.00 C ATOM 987 O THR A 66 93.247 -3.022 5.099 1.00 0.00 O ATOM 988 CB THR A 66 94.214 -6.031 5.538 1.00 0.00 C ATOM 989 OG1 THR A 66 94.188 -7.211 6.329 1.00 0.00 O ATOM 990 CG2 THR A 66 95.308 -5.093 6.055 1.00 0.00 C ATOM 0 H THR A 66 92.114 -7.145 4.872 1.00 0.00 H new ATOM 0 HA THR A 66 92.688 -4.998 6.649 1.00 0.00 H new ATOM 0 HB THR A 66 94.422 -6.292 4.501 1.00 0.00 H new ATOM 0 HG1 THR A 66 93.283 -7.350 6.679 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.275 -5.592 5.993 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.328 -4.188 5.448 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.102 -4.830 7.093 1.00 0.00 H new ATOM 998 N THR A 67 92.375 -4.313 3.475 1.00 0.00 N ATOM 999 CA THR A 67 92.310 -3.224 2.512 1.00 0.00 C ATOM 1000 C THR A 67 91.221 -2.238 2.907 1.00 0.00 C ATOM 1001 O THR A 67 91.386 -1.027 2.772 1.00 0.00 O ATOM 1002 CB THR A 67 92.007 -3.773 1.121 1.00 0.00 C ATOM 1003 OG1 THR A 67 92.044 -5.193 1.154 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.046 -3.255 0.124 1.00 0.00 C ATOM 0 H THR A 67 92.037 -5.210 3.127 1.00 0.00 H new ATOM 0 HA THR A 67 93.273 -2.714 2.501 1.00 0.00 H new ATOM 0 HB THR A 67 91.016 -3.443 0.810 1.00 0.00 H new ATOM 0 HG1 THR A 67 92.910 -5.490 1.505 1.00 0.00 H new ATOM 0 HG21 THR A 67 92.826 -3.649 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.013 -2.166 0.097 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.040 -3.581 0.432 1.00 0.00 H new ATOM 1012 N MET A 68 90.105 -2.766 3.399 1.00 0.00 N ATOM 1013 CA MET A 68 88.995 -1.920 3.810 1.00 0.00 C ATOM 1014 C MET A 68 89.493 -0.825 4.745 1.00 0.00 C ATOM 1015 O MET A 68 89.016 0.309 4.696 1.00 0.00 O ATOM 1016 CB MET A 68 87.929 -2.763 4.515 1.00 0.00 C ATOM 1017 CG MET A 68 87.051 -3.458 3.471 1.00 0.00 C ATOM 1018 SD MET A 68 85.504 -2.539 3.277 1.00 0.00 S ATOM 1019 CE MET A 68 84.412 -3.970 3.103 1.00 0.00 C ATOM 0 H MET A 68 89.948 -3.766 3.521 1.00 0.00 H new ATOM 0 HA MET A 68 88.555 -1.458 2.926 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.404 -3.505 5.158 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.316 -2.130 5.157 1.00 0.00 H new ATOM 0 HG2 MET A 68 87.576 -3.513 2.517 1.00 0.00 H new ATOM 0 HG3 MET A 68 86.842 -4.482 3.780 1.00 0.00 H new ATOM 0 HE1 MET A 68 83.503 -3.673 2.579 1.00 0.00 H new ATOM 0 HE2 MET A 68 84.920 -4.749 2.534 1.00 0.00 H new ATOM 0 HE3 MET A 68 84.153 -4.352 4.090 1.00 0.00 H new ATOM 1029 N GLN A 69 90.461 -1.169 5.588 1.00 0.00 N ATOM 1030 CA GLN A 69 91.028 -0.204 6.524 1.00 0.00 C ATOM 1031 C GLN A 69 92.043 0.690 5.820 1.00 0.00 C ATOM 1032 O GLN A 69 92.232 1.846 6.201 1.00 0.00 O ATOM 1033 CB GLN A 69 91.706 -0.937 7.684 1.00 0.00 C ATOM 1034 CG GLN A 69 91.860 0.016 8.870 1.00 0.00 C ATOM 1035 CD GLN A 69 90.501 0.279 9.507 1.00 0.00 C ATOM 1036 OE1 GLN A 69 89.701 -0.643 9.669 1.00 0.00 O ATOM 1037 NE2 GLN A 69 90.189 1.490 9.881 1.00 0.00 N ATOM 0 H GLN A 69 90.868 -2.103 5.643 1.00 0.00 H new ATOM 0 HA GLN A 69 90.220 0.417 6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 69 91.114 -1.804 7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 69 92.683 -1.308 7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 69 92.539 -0.414 9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 69 92.303 0.955 8.538 1.00 0.00 H new ATOM 0 HE21 GLN A 69 90.853 2.252 9.746 1.00 0.00 H new ATOM 0 HE22 GLN A 69 89.281 1.674 10.308 1.00 0.00 H new ATOM 1046 N THR A 70 92.695 0.149 4.795 1.00 0.00 N ATOM 1047 CA THR A 70 93.689 0.915 4.052 1.00 0.00 C ATOM 1048 C THR A 70 93.009 1.912 3.122 1.00 0.00 C ATOM 1049 O THR A 70 93.358 3.093 3.106 1.00 0.00 O ATOM 1050 CB THR A 70 94.575 -0.029 3.234 1.00 0.00 C ATOM 1051 OG1 THR A 70 94.807 -1.219 3.976 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.909 0.657 2.934 1.00 0.00 C ATOM 0 H THR A 70 92.555 -0.805 4.463 1.00 0.00 H new ATOM 0 HA THR A 70 94.306 1.462 4.765 1.00 0.00 H new ATOM 0 HB THR A 70 94.077 -0.277 2.297 1.00 0.00 H new ATOM 0 HG1 THR A 70 93.976 -1.735 4.036 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.540 -0.014 2.352 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.729 1.570 2.366 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.409 0.905 3.870 1.00 0.00 H new ATOM 1060 N ALA A 71 92.036 1.438 2.350 1.00 0.00 N ATOM 1061 CA ALA A 71 91.323 2.312 1.430 1.00 0.00 C ATOM 1062 C ALA A 71 90.494 3.333 2.199 1.00 0.00 C ATOM 1063 O ALA A 71 90.343 4.472 1.766 1.00 0.00 O ATOM 1064 CB ALA A 71 90.406 1.492 0.520 1.00 0.00 C ATOM 0 H ALA A 71 91.727 0.466 2.343 1.00 0.00 H new ATOM 0 HA ALA A 71 92.058 2.837 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 71 89.879 2.159 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 71 91.003 0.783 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.682 0.949 1.127 1.00 0.00 H new ATOM 1070 N LEU A 72 89.955 2.923 3.343 1.00 0.00 N ATOM 1071 CA LEU A 72 89.144 3.824 4.152 1.00 0.00 C ATOM 1072 C LEU A 72 89.925 5.095 4.470 1.00 0.00 C ATOM 1073 O LEU A 72 89.472 6.202 4.185 1.00 0.00 O ATOM 1074 CB LEU A 72 88.719 3.115 5.449 1.00 0.00 C ATOM 1075 CG LEU A 72 88.668 4.100 6.629 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.784 5.299 6.278 1.00 0.00 C ATOM 1077 CD2 LEU A 72 88.089 3.393 7.858 1.00 0.00 C ATOM 0 H LEU A 72 90.063 1.984 3.727 1.00 0.00 H new ATOM 0 HA LEU A 72 88.251 4.101 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 72 87.740 2.656 5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 72 89.419 2.310 5.673 1.00 0.00 H new ATOM 0 HG LEU A 72 89.678 4.449 6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.756 5.989 7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 72 88.192 5.809 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.774 4.954 6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 72 88.052 4.090 8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.082 3.041 7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 72 88.720 2.544 8.120 1.00 0.00 H new ATOM 1089 N ASN A 73 91.102 4.923 5.062 1.00 0.00 N ATOM 1090 CA ASN A 73 91.940 6.064 5.420 1.00 0.00 C ATOM 1091 C ASN A 73 92.454 6.781 4.175 1.00 0.00 C ATOM 1092 O ASN A 73 92.479 8.011 4.125 1.00 0.00 O ATOM 1093 CB ASN A 73 93.125 5.597 6.268 1.00 0.00 C ATOM 1094 CG ASN A 73 94.182 6.694 6.334 1.00 0.00 C ATOM 1095 OD1 ASN A 73 94.010 7.682 7.048 1.00 0.00 O ATOM 1096 ND2 ASN A 73 95.274 6.577 5.629 1.00 0.00 N ATOM 0 H ASN A 73 91.496 4.013 5.303 1.00 0.00 H new ATOM 0 HA ASN A 73 91.331 6.763 5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 73 92.787 5.345 7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 73 93.555 4.691 5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 73 95.987 7.305 5.669 1.00 0.00 H new ATOM 0 HD22 ASN A 73 95.414 5.757 5.038 1.00 0.00 H new ATOM 1103 N SER A 74 92.869 6.012 3.176 1.00 0.00 N ATOM 1104 CA SER A 74 93.385 6.596 1.942 1.00 0.00 C ATOM 1105 C SER A 74 92.272 7.278 1.155 1.00 0.00 C ATOM 1106 O SER A 74 92.350 8.470 0.859 1.00 0.00 O ATOM 1107 CB SER A 74 94.033 5.513 1.080 1.00 0.00 C ATOM 1108 OG SER A 74 93.101 5.071 0.102 1.00 0.00 O ATOM 0 H SER A 74 92.859 4.992 3.194 1.00 0.00 H new ATOM 0 HA SER A 74 94.132 7.344 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 74 94.928 5.904 0.596 1.00 0.00 H new ATOM 0 HB3 SER A 74 94.348 4.676 1.703 1.00 0.00 H new ATOM 0 HG SER A 74 93.514 4.377 -0.454 1.00 0.00 H new ATOM 1114 N LEU A 75 91.235 6.517 0.819 1.00 0.00 N ATOM 1115 CA LEU A 75 90.115 7.070 0.066 1.00 0.00 C ATOM 1116 C LEU A 75 89.530 8.270 0.802 1.00 0.00 C ATOM 1117 O LEU A 75 88.933 9.155 0.190 1.00 0.00 O ATOM 1118 CB LEU A 75 89.033 6.001 -0.142 1.00 0.00 C ATOM 1119 CG LEU A 75 88.117 5.925 1.088 1.00 0.00 C ATOM 1120 CD1 LEU A 75 87.037 7.016 1.030 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.437 4.553 1.124 1.00 0.00 C ATOM 0 H LEU A 75 91.147 5.528 1.053 1.00 0.00 H new ATOM 0 HA LEU A 75 90.477 7.396 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.444 6.237 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.499 5.031 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 75 88.721 6.074 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.399 6.944 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.512 7.997 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.433 6.882 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.785 4.493 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.846 4.416 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.195 3.772 1.184 1.00 0.00 H new ATOM 1133 N ALA A 76 89.708 8.292 2.119 1.00 0.00 N ATOM 1134 CA ALA A 76 89.197 9.390 2.931 1.00 0.00 C ATOM 1135 C ALA A 76 89.942 10.681 2.607 1.00 0.00 C ATOM 1136 O ALA A 76 89.409 11.778 2.779 1.00 0.00 O ATOM 1137 CB ALA A 76 89.359 9.060 4.416 1.00 0.00 C ATOM 0 H ALA A 76 90.199 7.568 2.643 1.00 0.00 H new ATOM 0 HA ALA A 76 88.139 9.527 2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 76 88.975 9.885 5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.803 8.152 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 76 90.414 8.908 4.642 1.00 0.00 H new ATOM 1143 N GLY A 77 91.176 10.541 2.134 1.00 0.00 N ATOM 1144 CA GLY A 77 91.988 11.701 1.785 1.00 0.00 C ATOM 1145 C GLY A 77 91.429 12.400 0.551 1.00 0.00 C ATOM 1146 O GLY A 77 91.150 13.598 0.577 1.00 0.00 O ATOM 0 H GLY A 77 91.633 9.642 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 77 92.014 12.398 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.015 11.389 1.598 1.00 0.00 H new ATOM 1150 N TYR A 78 91.263 11.641 -0.528 1.00 0.00 N ATOM 1151 CA TYR A 78 90.731 12.200 -1.766 1.00 0.00 C ATOM 1152 C TYR A 78 89.371 12.842 -1.515 1.00 0.00 C ATOM 1153 O TYR A 78 88.815 13.507 -2.391 1.00 0.00 O ATOM 1154 CB TYR A 78 90.592 11.100 -2.821 1.00 0.00 C ATOM 1155 CG TYR A 78 89.278 11.265 -3.547 1.00 0.00 C ATOM 1156 CD1 TYR A 78 88.112 10.695 -3.021 1.00 0.00 C ATOM 1157 CD2 TYR A 78 89.225 11.989 -4.745 1.00 0.00 C ATOM 1158 CE1 TYR A 78 86.893 10.849 -3.694 1.00 0.00 C ATOM 1159 CE2 TYR A 78 88.006 12.142 -5.416 1.00 0.00 C ATOM 1160 CZ TYR A 78 86.841 11.572 -4.891 1.00 0.00 C ATOM 1161 OH TYR A 78 85.639 11.725 -5.553 1.00 0.00 O ATOM 0 H TYR A 78 91.487 10.647 -0.571 1.00 0.00 H new ATOM 0 HA TYR A 78 91.422 12.961 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 78 91.420 11.152 -3.528 1.00 0.00 H new ATOM 0 HB3 TYR A 78 90.638 10.119 -2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 78 88.152 10.137 -2.097 1.00 0.00 H new ATOM 0 HD2 TYR A 78 90.124 12.429 -5.151 1.00 0.00 H new ATOM 0 HE1 TYR A 78 85.993 10.410 -3.289 1.00 0.00 H new ATOM 0 HE2 TYR A 78 87.965 12.700 -6.340 1.00 0.00 H new ATOM 0 HH TYR A 78 85.778 12.254 -6.366 1.00 0.00 H new ATOM 1171 N TYR A 79 88.841 12.637 -0.314 1.00 0.00 N ATOM 1172 CA TYR A 79 87.543 13.198 0.045 1.00 0.00 C ATOM 1173 C TYR A 79 87.716 14.519 0.787 1.00 0.00 C ATOM 1174 O TYR A 79 87.132 15.536 0.410 1.00 0.00 O ATOM 1175 CB TYR A 79 86.775 12.213 0.928 1.00 0.00 C ATOM 1176 CG TYR A 79 85.813 12.971 1.809 1.00 0.00 C ATOM 1177 CD1 TYR A 79 84.832 13.787 1.233 1.00 0.00 C ATOM 1178 CD2 TYR A 79 85.901 12.859 3.201 1.00 0.00 C ATOM 1179 CE1 TYR A 79 83.940 14.492 2.051 1.00 0.00 C ATOM 1180 CE2 TYR A 79 85.010 13.564 4.019 1.00 0.00 C ATOM 1181 CZ TYR A 79 84.029 14.380 3.444 1.00 0.00 C ATOM 1182 OH TYR A 79 83.151 15.075 4.249 1.00 0.00 O ATOM 0 H TYR A 79 89.286 12.090 0.423 1.00 0.00 H new ATOM 0 HA TYR A 79 86.982 13.380 -0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 79 86.232 11.500 0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 79 87.470 11.639 1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 79 84.763 13.873 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 79 86.657 12.228 3.645 1.00 0.00 H new ATOM 0 HE1 TYR A 79 83.183 15.122 1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 79 85.080 13.478 5.093 1.00 0.00 H new ATOM 0 HH TYR A 79 83.349 14.885 5.190 1.00 0.00 H new ATOM 1192 N THR A 80 88.521 14.498 1.846 1.00 0.00 N ATOM 1193 CA THR A 80 88.761 15.702 2.633 1.00 0.00 C ATOM 1194 C THR A 80 89.811 16.583 1.962 1.00 0.00 C ATOM 1195 O THR A 80 90.560 17.293 2.631 1.00 0.00 O ATOM 1196 CB THR A 80 89.234 15.323 4.038 1.00 0.00 C ATOM 1197 OG1 THR A 80 89.429 16.503 4.806 1.00 0.00 O ATOM 1198 CG2 THR A 80 90.551 14.550 3.945 1.00 0.00 C ATOM 0 H THR A 80 89.014 13.668 2.176 1.00 0.00 H new ATOM 0 HA THR A 80 87.826 16.259 2.702 1.00 0.00 H new ATOM 0 HB THR A 80 88.481 14.697 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 80 90.061 17.093 4.345 1.00 0.00 H new ATOM 0 HG21 THR A 80 90.886 14.281 4.947 1.00 0.00 H new ATOM 0 HG22 THR A 80 90.401 13.645 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 80 91.306 15.173 3.465 1.00 0.00 H new ATOM 1206 N SER A 81 89.858 16.529 0.635 1.00 0.00 N ATOM 1207 CA SER A 81 90.821 17.326 -0.116 1.00 0.00 C ATOM 1208 C SER A 81 90.113 18.426 -0.900 1.00 0.00 C ATOM 1209 O SER A 81 89.892 19.524 -0.388 1.00 0.00 O ATOM 1210 CB SER A 81 91.598 16.431 -1.082 1.00 0.00 C ATOM 1211 OG SER A 81 92.525 15.642 -0.346 1.00 0.00 O ATOM 0 H SER A 81 89.247 15.947 0.062 1.00 0.00 H new ATOM 0 HA SER A 81 91.512 17.786 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 81 90.912 15.788 -1.633 1.00 0.00 H new ATOM 0 HB3 SER A 81 92.124 17.040 -1.818 1.00 0.00 H new ATOM 0 HG SER A 81 92.059 14.877 0.053 1.00 0.00 H new ATOM 1217 N TYR A 82 89.761 18.125 -2.145 1.00 0.00 N ATOM 1218 CA TYR A 82 89.080 19.096 -2.993 1.00 0.00 C ATOM 1219 C TYR A 82 88.157 18.392 -3.983 1.00 0.00 C ATOM 1220 O TYR A 82 87.085 18.898 -4.314 1.00 0.00 O ATOM 1221 CB TYR A 82 90.107 19.936 -3.756 1.00 0.00 C ATOM 1222 CG TYR A 82 90.002 21.380 -3.323 1.00 0.00 C ATOM 1223 CD1 TYR A 82 89.014 22.206 -3.874 1.00 0.00 C ATOM 1224 CD2 TYR A 82 90.892 21.893 -2.372 1.00 0.00 C ATOM 1225 CE1 TYR A 82 88.916 23.544 -3.473 1.00 0.00 C ATOM 1226 CE2 TYR A 82 90.794 23.232 -1.971 1.00 0.00 C ATOM 1227 CZ TYR A 82 89.806 24.057 -2.522 1.00 0.00 C ATOM 1228 OH TYR A 82 89.711 25.376 -2.128 1.00 0.00 O ATOM 0 H TYR A 82 89.935 17.222 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 82 88.480 19.747 -2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 82 91.113 19.561 -3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 82 89.934 19.854 -4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 82 88.328 21.811 -4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 82 91.654 21.257 -1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 82 88.154 24.180 -3.897 1.00 0.00 H new ATOM 0 HE2 TYR A 82 91.480 23.628 -1.237 1.00 0.00 H new ATOM 0 HH TYR A 82 90.403 25.569 -1.461 1.00 0.00 H new ATOM 1238 N GLY A 83 88.579 17.221 -4.453 1.00 0.00 N ATOM 1239 CA GLY A 83 87.779 16.458 -5.405 1.00 0.00 C ATOM 1240 C GLY A 83 88.040 16.924 -6.832 1.00 0.00 C ATOM 1241 O GLY A 83 88.773 17.887 -7.057 1.00 0.00 O ATOM 0 H GLY A 83 89.463 16.783 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 83 88.014 15.397 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 83 86.721 16.571 -5.169 1.00 0.00 H new ATOM 1245 N ALA A 84 87.437 16.232 -7.794 1.00 0.00 N ATOM 1246 CA ALA A 84 87.612 16.584 -9.199 1.00 0.00 C ATOM 1247 C ALA A 84 89.090 16.777 -9.524 1.00 0.00 C ATOM 1248 O ALA A 84 89.481 17.793 -10.098 1.00 0.00 O ATOM 1249 CB ALA A 84 86.847 17.871 -9.512 1.00 0.00 C ATOM 0 H ALA A 84 86.828 15.431 -7.629 1.00 0.00 H new ATOM 0 HA ALA A 84 87.221 15.770 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 84 86.982 18.128 -10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 84 85.787 17.723 -9.308 1.00 0.00 H new ATOM 0 HB3 ALA A 84 87.227 18.681 -8.889 1.00 0.00 H new ATOM 1255 N ARG A 85 89.907 15.796 -9.153 1.00 0.00 N ATOM 1256 CA ARG A 85 91.340 15.874 -9.412 1.00 0.00 C ATOM 1257 C ARG A 85 91.925 14.478 -9.631 1.00 0.00 C ATOM 1258 O ARG A 85 91.375 13.486 -9.155 1.00 0.00 O ATOM 1259 CB ARG A 85 92.044 16.551 -8.235 1.00 0.00 C ATOM 1260 CG ARG A 85 92.253 18.033 -8.557 1.00 0.00 C ATOM 1261 CD ARG A 85 92.737 18.779 -7.310 1.00 0.00 C ATOM 1262 NE ARG A 85 92.026 20.045 -7.176 1.00 0.00 N ATOM 1263 CZ ARG A 85 92.100 20.976 -8.121 1.00 0.00 C ATOM 1264 NH1 ARG A 85 92.824 20.769 -9.187 1.00 0.00 N ATOM 1265 NH2 ARG A 85 91.448 22.099 -7.984 1.00 0.00 N ATOM 0 H ARG A 85 89.605 14.946 -8.677 1.00 0.00 H new ATOM 0 HA ARG A 85 91.497 16.463 -10.316 1.00 0.00 H new ATOM 0 HB2 ARG A 85 91.447 16.444 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.003 16.069 -8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 85 92.982 18.139 -9.360 1.00 0.00 H new ATOM 0 HG3 ARG A 85 91.321 18.471 -8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 85 92.574 18.166 -6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 85 93.810 18.961 -7.379 1.00 0.00 H new ATOM 0 HE ARG A 85 91.463 20.219 -6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 85 93.333 19.892 -9.295 1.00 0.00 H new ATOM 0 HH12 ARG A 85 92.880 21.484 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 85 90.882 22.262 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 85 91.505 22.814 -8.710 1.00 0.00 H new ATOM 1279 N PRO A 86 93.025 14.388 -10.336 1.00 0.00 N ATOM 1280 CA PRO A 86 93.696 13.090 -10.620 1.00 0.00 C ATOM 1281 C PRO A 86 93.688 12.153 -9.414 1.00 0.00 C ATOM 1282 O PRO A 86 93.460 12.579 -8.283 1.00 0.00 O ATOM 1283 CB PRO A 86 95.124 13.499 -10.977 1.00 0.00 C ATOM 1284 CG PRO A 86 95.021 14.885 -11.527 1.00 0.00 C ATOM 1285 CD PRO A 86 93.751 15.516 -10.945 1.00 0.00 C ATOM 0 HA PRO A 86 93.190 12.534 -11.409 1.00 0.00 H new ATOM 0 HB2 PRO A 86 95.770 13.473 -10.099 1.00 0.00 H new ATOM 0 HB3 PRO A 86 95.555 12.818 -11.710 1.00 0.00 H new ATOM 0 HG2 PRO A 86 95.899 15.471 -11.257 1.00 0.00 H new ATOM 0 HG3 PRO A 86 94.975 14.863 -12.616 1.00 0.00 H new ATOM 0 HD2 PRO A 86 93.990 16.280 -10.205 1.00 0.00 H new ATOM 0 HD3 PRO A 86 93.156 15.999 -11.720 1.00 0.00 H new ATOM 1293 N ILE A 87 93.944 10.874 -9.671 1.00 0.00 N ATOM 1294 CA ILE A 87 93.969 9.875 -8.609 1.00 0.00 C ATOM 1295 C ILE A 87 95.402 9.401 -8.356 1.00 0.00 C ATOM 1296 O ILE A 87 95.901 8.531 -9.070 1.00 0.00 O ATOM 1297 CB ILE A 87 93.108 8.677 -9.006 1.00 0.00 C ATOM 1298 CG1 ILE A 87 91.785 9.171 -9.592 1.00 0.00 C ATOM 1299 CG2 ILE A 87 92.827 7.818 -7.771 1.00 0.00 C ATOM 1300 CD1 ILE A 87 90.941 7.970 -10.020 1.00 0.00 C ATOM 0 H ILE A 87 94.136 10.506 -10.603 1.00 0.00 H new ATOM 0 HA ILE A 87 93.576 10.327 -7.699 1.00 0.00 H new ATOM 0 HB ILE A 87 93.637 8.082 -9.751 1.00 0.00 H new ATOM 0 HG12 ILE A 87 91.246 9.764 -8.853 1.00 0.00 H new ATOM 0 HG13 ILE A 87 91.973 9.821 -10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 87 92.213 6.963 -8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 87 93.769 7.465 -7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 87 92.299 8.413 -7.026 1.00 0.00 H new ATOM 0 HD11 ILE A 87 89.997 8.319 -10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 87 91.481 7.396 -10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 87 90.743 7.338 -9.155 1.00 0.00 H new ATOM 1312 N PRO A 88 96.076 9.943 -7.371 1.00 0.00 N ATOM 1313 CA PRO A 88 97.477 9.543 -7.053 1.00 0.00 C ATOM 1314 C PRO A 88 97.636 8.025 -6.983 1.00 0.00 C ATOM 1315 O PRO A 88 96.743 7.319 -6.515 1.00 0.00 O ATOM 1316 CB PRO A 88 97.743 10.189 -5.691 1.00 0.00 C ATOM 1317 CG PRO A 88 96.815 11.356 -5.621 1.00 0.00 C ATOM 1318 CD PRO A 88 95.587 10.990 -6.455 1.00 0.00 C ATOM 0 HA PRO A 88 98.180 9.865 -7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 88 97.554 9.487 -4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.782 10.507 -5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.534 11.566 -4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 88 97.293 12.255 -6.010 1.00 0.00 H new ATOM 0 HD2 PRO A 88 94.774 10.624 -5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 88 95.205 11.852 -7.002 1.00 0.00 H new ATOM 1326 N GLU A 89 98.776 7.533 -7.456 1.00 0.00 N ATOM 1327 CA GLU A 89 99.042 6.101 -7.448 1.00 0.00 C ATOM 1328 C GLU A 89 98.599 5.480 -6.129 1.00 0.00 C ATOM 1329 O GLU A 89 98.119 4.355 -6.094 1.00 0.00 O ATOM 1330 CB GLU A 89 100.537 5.845 -7.653 1.00 0.00 C ATOM 1331 CG GLU A 89 100.935 6.244 -9.075 1.00 0.00 C ATOM 1332 CD GLU A 89 102.417 5.964 -9.297 1.00 0.00 C ATOM 1333 OE1 GLU A 89 103.184 6.167 -8.372 1.00 0.00 O ATOM 1334 OE2 GLU A 89 102.763 5.548 -10.392 1.00 0.00 O ATOM 0 H GLU A 89 99.526 8.102 -7.848 1.00 0.00 H new ATOM 0 HA GLU A 89 98.478 5.644 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 89 101.117 6.416 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU A 89 100.763 4.792 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 89 100.339 5.688 -9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 89 100.728 7.302 -9.237 1.00 0.00 H new ATOM 1341 N LYS A 90 98.759 6.223 -5.047 1.00 0.00 N ATOM 1342 CA LYS A 90 98.370 5.731 -3.737 1.00 0.00 C ATOM 1343 C LYS A 90 96.892 5.380 -3.720 1.00 0.00 C ATOM 1344 O LYS A 90 96.525 4.244 -3.449 1.00 0.00 O ATOM 1345 CB LYS A 90 98.651 6.791 -2.672 1.00 0.00 C ATOM 1346 CG LYS A 90 100.038 6.561 -2.072 1.00 0.00 C ATOM 1347 CD LYS A 90 101.090 6.596 -3.182 1.00 0.00 C ATOM 1348 CE LYS A 90 102.410 7.114 -2.613 1.00 0.00 C ATOM 1349 NZ LYS A 90 102.568 6.633 -1.212 1.00 0.00 N ATOM 0 H LYS A 90 99.153 7.164 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 90 98.953 4.836 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 90 98.595 7.787 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 90 97.893 6.745 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 90 100.255 7.327 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 90 100.068 5.600 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 90 101.228 5.599 -3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 90 100.755 7.239 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 90 103.243 6.767 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 90 102.427 8.204 -2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 103.577 6.618 -0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 102.061 7.271 -0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 102.176 5.673 -1.128 1.00 0.00 H new ATOM 1363 N LEU A 91 96.051 6.361 -4.027 1.00 0.00 N ATOM 1364 CA LEU A 91 94.621 6.143 -4.050 1.00 0.00 C ATOM 1365 C LEU A 91 94.276 5.240 -5.213 1.00 0.00 C ATOM 1366 O LEU A 91 93.578 4.248 -5.055 1.00 0.00 O ATOM 1367 CB LEU A 91 93.892 7.480 -4.188 1.00 0.00 C ATOM 1368 CG LEU A 91 94.362 8.431 -3.087 1.00 0.00 C ATOM 1369 CD1 LEU A 91 93.656 9.779 -3.236 1.00 0.00 C ATOM 1370 CD2 LEU A 91 94.027 7.830 -1.719 1.00 0.00 C ATOM 0 H LEU A 91 96.340 7.311 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 91 94.308 5.671 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.089 7.915 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.815 7.328 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 91 95.439 8.576 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 91 93.993 10.455 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 91 93.893 10.208 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 91 92.578 9.636 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 91 94.361 8.507 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 91 92.950 7.685 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 91 94.531 6.870 -1.610 1.00 0.00 H new ATOM 1382 N LYS A 92 94.782 5.579 -6.383 1.00 0.00 N ATOM 1383 CA LYS A 92 94.523 4.772 -7.546 1.00 0.00 C ATOM 1384 C LYS A 92 94.941 3.336 -7.271 1.00 0.00 C ATOM 1385 O LYS A 92 94.129 2.429 -7.365 1.00 0.00 O ATOM 1386 CB LYS A 92 95.283 5.311 -8.758 1.00 0.00 C ATOM 1387 CG LYS A 92 94.741 4.660 -10.031 1.00 0.00 C ATOM 1388 CD LYS A 92 95.882 4.449 -11.028 1.00 0.00 C ATOM 1389 CE LYS A 92 96.446 5.805 -11.456 1.00 0.00 C ATOM 1390 NZ LYS A 92 96.553 5.853 -12.942 1.00 0.00 N ATOM 0 H LYS A 92 95.367 6.398 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 92 93.456 4.807 -7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 92 95.175 6.394 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 92 96.348 5.102 -8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 92 94.273 3.705 -9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 92 93.970 5.291 -10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 92 96.667 3.844 -10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 92 95.521 3.902 -11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 92 95.800 6.608 -11.101 1.00 0.00 H new ATOM 0 HE3 LYS A 92 97.426 5.962 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 96.936 6.775 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 97.186 5.096 -13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 95.611 5.722 -13.362 1.00 0.00 H new ATOM 1404 N LYS A 93 96.208 3.139 -6.917 1.00 0.00 N ATOM 1405 CA LYS A 93 96.704 1.796 -6.630 1.00 0.00 C ATOM 1406 C LYS A 93 95.952 1.169 -5.471 1.00 0.00 C ATOM 1407 O LYS A 93 95.577 0.008 -5.531 1.00 0.00 O ATOM 1408 CB LYS A 93 98.203 1.814 -6.322 1.00 0.00 C ATOM 1409 CG LYS A 93 98.744 0.381 -6.355 1.00 0.00 C ATOM 1410 CD LYS A 93 100.233 0.390 -6.007 1.00 0.00 C ATOM 1411 CE LYS A 93 101.059 0.352 -7.294 1.00 0.00 C ATOM 1412 NZ LYS A 93 102.471 0.716 -6.989 1.00 0.00 N ATOM 0 H LYS A 93 96.902 3.881 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 93 96.537 1.194 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 93 98.728 2.430 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 93 98.379 2.259 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 93 98.198 -0.242 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 93 98.593 -0.053 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 93 100.477 1.283 -5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 93 100.476 -0.469 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 93 101.016 -0.643 -7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 93 100.644 1.045 -8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 103.033 0.690 -7.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 102.503 1.674 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 102.864 0.038 -6.305 1.00 0.00 H new ATOM 1426 N ARG A 94 95.728 1.937 -4.421 1.00 0.00 N ATOM 1427 CA ARG A 94 95.004 1.408 -3.264 1.00 0.00 C ATOM 1428 C ARG A 94 93.554 1.141 -3.645 1.00 0.00 C ATOM 1429 O ARG A 94 93.066 0.021 -3.517 1.00 0.00 O ATOM 1430 CB ARG A 94 95.049 2.376 -2.079 1.00 0.00 C ATOM 1431 CG ARG A 94 96.464 2.396 -1.488 1.00 0.00 C ATOM 1432 CD ARG A 94 96.640 3.643 -0.617 1.00 0.00 C ATOM 1433 NE ARG A 94 97.589 3.378 0.458 1.00 0.00 N ATOM 1434 CZ ARG A 94 98.101 4.368 1.183 1.00 0.00 C ATOM 1435 NH1 ARG A 94 97.759 5.602 0.936 1.00 0.00 N ATOM 1436 NH2 ARG A 94 98.947 4.104 2.141 1.00 0.00 N ATOM 0 H ARG A 94 96.026 2.909 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 94 95.489 0.480 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 94 94.764 3.377 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 94 94.330 2.070 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 94 96.633 1.498 -0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 94 97.203 2.392 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 94 96.993 4.474 -1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 94 95.679 3.941 -0.198 1.00 0.00 H new ATOM 0 HE ARG A 94 97.865 2.416 0.657 1.00 0.00 H new ATOM 0 HH11 ARG A 94 97.099 5.808 0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 94 98.152 6.361 1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 94 99.215 3.139 2.333 1.00 0.00 H new ATOM 0 HH22 ARG A 94 99.340 4.863 2.698 1.00 0.00 H new ATOM 1450 N LEU A 95 92.875 2.175 -4.127 1.00 0.00 N ATOM 1451 CA LEU A 95 91.488 2.032 -4.537 1.00 0.00 C ATOM 1452 C LEU A 95 91.393 0.987 -5.627 1.00 0.00 C ATOM 1453 O LEU A 95 90.475 0.182 -5.631 1.00 0.00 O ATOM 1454 CB LEU A 95 90.931 3.364 -5.037 1.00 0.00 C ATOM 1455 CG LEU A 95 90.973 4.372 -3.892 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.650 5.772 -4.418 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.946 3.988 -2.820 1.00 0.00 C ATOM 0 H LEU A 95 93.260 3.113 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 95 90.896 1.718 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 95 91.518 3.726 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.908 3.237 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 95 91.973 4.368 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.682 6.486 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 95 91.383 6.055 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.654 5.773 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 95 89.982 4.712 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.948 3.983 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 95 90.177 2.996 -2.433 1.00 0.00 H new ATOM 1469 N GLN A 96 92.369 0.995 -6.532 1.00 0.00 N ATOM 1470 CA GLN A 96 92.400 0.012 -7.617 1.00 0.00 C ATOM 1471 C GLN A 96 92.762 -1.344 -7.048 1.00 0.00 C ATOM 1472 O GLN A 96 91.992 -2.288 -7.127 1.00 0.00 O ATOM 1473 CB GLN A 96 93.414 0.393 -8.701 1.00 0.00 C ATOM 1474 CG GLN A 96 93.355 -0.634 -9.833 1.00 0.00 C ATOM 1475 CD GLN A 96 94.047 -0.080 -11.073 1.00 0.00 C ATOM 1476 OE1 GLN A 96 94.809 0.882 -10.982 1.00 0.00 O ATOM 1477 NE2 GLN A 96 93.824 -0.633 -12.234 1.00 0.00 N ATOM 0 H GLN A 96 93.141 1.662 -6.538 1.00 0.00 H new ATOM 0 HA GLN A 96 91.412 -0.016 -8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.195 1.389 -9.086 1.00 0.00 H new ATOM 0 HB3 GLN A 96 94.418 0.429 -8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 96 93.837 -1.561 -9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 96 92.317 -0.876 -10.063 1.00 0.00 H new ATOM 0 HE21 GLN A 96 93.192 -1.430 -12.306 1.00 0.00 H new ATOM 0 HE22 GLN A 96 94.282 -0.268 -13.069 1.00 0.00 H new ATOM 1486 N LEU A 97 93.927 -1.428 -6.438 1.00 0.00 N ATOM 1487 CA LEU A 97 94.342 -2.676 -5.830 1.00 0.00 C ATOM 1488 C LEU A 97 93.199 -3.161 -4.964 1.00 0.00 C ATOM 1489 O LEU A 97 92.914 -4.351 -4.894 1.00 0.00 O ATOM 1490 CB LEU A 97 95.596 -2.485 -4.972 1.00 0.00 C ATOM 1491 CG LEU A 97 95.996 -3.827 -4.366 1.00 0.00 C ATOM 1492 CD1 LEU A 97 97.389 -4.220 -4.863 1.00 0.00 C ATOM 1493 CD2 LEU A 97 96.012 -3.712 -2.840 1.00 0.00 C ATOM 0 H LEU A 97 94.594 -0.661 -6.350 1.00 0.00 H new ATOM 0 HA LEU A 97 94.585 -3.401 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.410 -2.089 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.404 -1.758 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 97 95.277 -4.589 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 97 97.673 -5.179 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 97 97.378 -4.303 -5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 97 98.110 -3.459 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 97 96.298 -4.670 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 97 96.731 -2.949 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.019 -3.435 -2.486 1.00 0.00 H new ATOM 1505 N GLU A 98 92.531 -2.208 -4.327 1.00 0.00 N ATOM 1506 CA GLU A 98 91.391 -2.519 -3.484 1.00 0.00 C ATOM 1507 C GLU A 98 90.198 -2.888 -4.353 1.00 0.00 C ATOM 1508 O GLU A 98 89.524 -3.875 -4.086 1.00 0.00 O ATOM 1509 CB GLU A 98 91.035 -1.332 -2.593 1.00 0.00 C ATOM 1510 CG GLU A 98 89.806 -1.677 -1.749 1.00 0.00 C ATOM 1511 CD GLU A 98 88.580 -0.950 -2.291 1.00 0.00 C ATOM 1512 OE1 GLU A 98 88.489 0.250 -2.088 1.00 0.00 O ATOM 1513 OE2 GLU A 98 87.750 -1.603 -2.901 1.00 0.00 O ATOM 0 H GLU A 98 92.761 -1.216 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 98 91.652 -3.362 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 98 91.876 -1.085 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 98 90.834 -0.452 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 98 89.636 -2.754 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 98 89.977 -1.394 -0.710 1.00 0.00 H new ATOM 1520 N PHE A 99 89.947 -2.107 -5.410 1.00 0.00 N ATOM 1521 CA PHE A 99 88.826 -2.422 -6.298 1.00 0.00 C ATOM 1522 C PHE A 99 89.097 -3.735 -6.980 1.00 0.00 C ATOM 1523 O PHE A 99 88.199 -4.527 -7.194 1.00 0.00 O ATOM 1524 CB PHE A 99 88.598 -1.362 -7.375 1.00 0.00 C ATOM 1525 CG PHE A 99 88.579 -2.017 -8.742 1.00 0.00 C ATOM 1526 CD1 PHE A 99 89.778 -2.287 -9.410 1.00 0.00 C ATOM 1527 CD2 PHE A 99 87.358 -2.353 -9.339 1.00 0.00 C ATOM 1528 CE1 PHE A 99 89.758 -2.892 -10.673 1.00 0.00 C ATOM 1529 CE2 PHE A 99 87.338 -2.958 -10.601 1.00 0.00 C ATOM 1530 CZ PHE A 99 88.538 -3.228 -11.268 1.00 0.00 C ATOM 0 H PHE A 99 90.486 -1.279 -5.665 1.00 0.00 H new ATOM 0 HA PHE A 99 87.931 -2.462 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 99 87.655 -0.845 -7.196 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.387 -0.611 -7.332 1.00 0.00 H new ATOM 0 HD1 PHE A 99 90.721 -2.028 -8.951 1.00 0.00 H new ATOM 0 HD2 PHE A 99 86.431 -2.145 -8.825 1.00 0.00 H new ATOM 0 HE1 PHE A 99 90.685 -3.099 -11.187 1.00 0.00 H new ATOM 0 HE2 PHE A 99 86.395 -3.217 -11.060 1.00 0.00 H new ATOM 0 HZ PHE A 99 88.522 -3.695 -12.241 1.00 0.00 H new ATOM 1540 N THR A 100 90.346 -3.969 -7.317 1.00 0.00 N ATOM 1541 CA THR A 100 90.686 -5.216 -7.964 1.00 0.00 C ATOM 1542 C THR A 100 90.717 -6.320 -6.921 1.00 0.00 C ATOM 1543 O THR A 100 90.188 -7.406 -7.143 1.00 0.00 O ATOM 1544 CB THR A 100 92.017 -5.092 -8.705 1.00 0.00 C ATOM 1545 OG1 THR A 100 91.907 -5.725 -9.972 1.00 0.00 O ATOM 1546 CG2 THR A 100 93.153 -5.741 -7.909 1.00 0.00 C ATOM 0 H THR A 100 91.125 -3.330 -7.159 1.00 0.00 H new ATOM 0 HA THR A 100 89.932 -5.466 -8.710 1.00 0.00 H new ATOM 0 HB THR A 100 92.247 -4.034 -8.830 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.758 -5.647 -10.452 1.00 0.00 H new ATOM 0 HG21 THR A 100 94.088 -5.638 -8.460 1.00 0.00 H new ATOM 0 HG22 THR A 100 93.246 -5.249 -6.941 1.00 0.00 H new ATOM 0 HG23 THR A 100 92.935 -6.798 -7.759 1.00 0.00 H new ATOM 1554 N GLN A 101 91.295 -6.028 -5.759 1.00 0.00 N ATOM 1555 CA GLN A 101 91.316 -7.029 -4.695 1.00 0.00 C ATOM 1556 C GLN A 101 89.897 -7.230 -4.187 1.00 0.00 C ATOM 1557 O GLN A 101 89.533 -8.305 -3.720 1.00 0.00 O ATOM 1558 CB GLN A 101 92.210 -6.600 -3.531 1.00 0.00 C ATOM 1559 CG GLN A 101 93.679 -6.739 -3.933 1.00 0.00 C ATOM 1560 CD GLN A 101 94.134 -8.181 -3.740 1.00 0.00 C ATOM 1561 OE1 GLN A 101 93.366 -9.017 -3.262 1.00 0.00 O ATOM 1562 NE2 GLN A 101 95.344 -8.525 -4.084 1.00 0.00 N ATOM 0 H GLN A 101 91.741 -5.139 -5.533 1.00 0.00 H new ATOM 0 HA GLN A 101 91.720 -7.956 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 101 91.994 -5.568 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.003 -7.214 -2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 101 93.810 -6.443 -4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 101 94.295 -6.070 -3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 101 95.978 -7.831 -4.480 1.00 0.00 H new ATOM 0 HE22 GLN A 101 95.656 -9.488 -3.957 1.00 0.00 H new ATOM 1571 N ALA A 102 89.099 -6.175 -4.289 1.00 0.00 N ATOM 1572 CA ALA A 102 87.711 -6.227 -3.849 1.00 0.00 C ATOM 1573 C ALA A 102 86.810 -6.751 -4.958 1.00 0.00 C ATOM 1574 O ALA A 102 86.050 -7.694 -4.761 1.00 0.00 O ATOM 1575 CB ALA A 102 87.239 -4.834 -3.435 1.00 0.00 C ATOM 0 H ALA A 102 89.388 -5.275 -4.672 1.00 0.00 H new ATOM 0 HA ALA A 102 87.653 -6.904 -2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 102 86.200 -4.884 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 102 87.860 -4.468 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.320 -4.155 -4.284 1.00 0.00 H new ATOM 1581 N GLU A 103 86.896 -6.112 -6.114 1.00 0.00 N ATOM 1582 CA GLU A 103 86.077 -6.484 -7.263 1.00 0.00 C ATOM 1583 C GLU A 103 86.602 -7.739 -7.948 1.00 0.00 C ATOM 1584 O GLU A 103 85.849 -8.679 -8.196 1.00 0.00 O ATOM 1585 CB GLU A 103 86.058 -5.336 -8.277 1.00 0.00 C ATOM 1586 CG GLU A 103 84.838 -5.475 -9.189 1.00 0.00 C ATOM 1587 CD GLU A 103 84.981 -6.713 -10.066 1.00 0.00 C ATOM 1588 OE1 GLU A 103 86.049 -6.897 -10.627 1.00 0.00 O ATOM 1589 OE2 GLU A 103 84.022 -7.460 -10.165 1.00 0.00 O ATOM 0 H GLU A 103 87.527 -5.329 -6.284 1.00 0.00 H new ATOM 0 HA GLU A 103 85.070 -6.687 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 103 86.028 -4.379 -7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 103 86.972 -5.347 -8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 103 83.931 -5.547 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.737 -4.587 -9.813 1.00 0.00 H new ATOM 1596 N ARG A 104 87.887 -7.741 -8.278 1.00 0.00 N ATOM 1597 CA ARG A 104 88.470 -8.895 -8.969 1.00 0.00 C ATOM 1598 C ARG A 104 88.421 -10.159 -8.112 1.00 0.00 C ATOM 1599 O ARG A 104 88.178 -11.251 -8.627 1.00 0.00 O ATOM 1600 CB ARG A 104 89.919 -8.617 -9.379 1.00 0.00 C ATOM 1601 CG ARG A 104 90.182 -9.235 -10.754 1.00 0.00 C ATOM 1602 CD ARG A 104 91.688 -9.276 -11.018 1.00 0.00 C ATOM 1603 NE ARG A 104 91.966 -8.939 -12.410 1.00 0.00 N ATOM 1604 CZ ARG A 104 91.885 -9.855 -13.369 1.00 0.00 C ATOM 1605 NH1 ARG A 104 91.552 -11.081 -13.073 1.00 0.00 N ATOM 1606 NH2 ARG A 104 92.137 -9.529 -14.606 1.00 0.00 N ATOM 0 H ARG A 104 88.537 -6.978 -8.086 1.00 0.00 H new ATOM 0 HA ARG A 104 87.867 -9.060 -9.862 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.101 -7.543 -9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.604 -9.036 -8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 104 89.767 -10.242 -10.797 1.00 0.00 H new ATOM 0 HG3 ARG A 104 89.683 -8.652 -11.528 1.00 0.00 H new ATOM 0 HD2 ARG A 104 92.199 -8.575 -10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 104 92.077 -10.269 -10.792 1.00 0.00 H new ATOM 0 HE ARG A 104 92.227 -7.983 -12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 104 91.354 -11.336 -12.106 1.00 0.00 H new ATOM 0 HH12 ARG A 104 91.490 -11.784 -13.809 1.00 0.00 H new ATOM 0 HH21 ARG A 104 92.397 -8.570 -14.838 1.00 0.00 H new ATOM 0 HH22 ARG A 104 92.075 -10.233 -15.342 1.00 0.00 H new ATOM 1620 N SER A 105 88.662 -10.022 -6.813 1.00 0.00 N ATOM 1621 CA SER A 105 88.647 -11.184 -5.929 1.00 0.00 C ATOM 1622 C SER A 105 87.221 -11.630 -5.620 1.00 0.00 C ATOM 1623 O SER A 105 86.887 -12.804 -5.778 1.00 0.00 O ATOM 1624 CB SER A 105 89.376 -10.872 -4.624 1.00 0.00 C ATOM 1625 OG SER A 105 88.455 -10.315 -3.696 1.00 0.00 O ATOM 0 H SER A 105 88.867 -9.135 -6.354 1.00 0.00 H new ATOM 0 HA SER A 105 89.159 -11.995 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 105 89.819 -11.780 -4.215 1.00 0.00 H new ATOM 0 HB3 SER A 105 90.193 -10.174 -4.808 1.00 0.00 H new ATOM 0 HG SER A 105 88.709 -9.389 -3.499 1.00 0.00 H new ATOM 1631 N ILE A 106 86.384 -10.700 -5.168 1.00 0.00 N ATOM 1632 CA ILE A 106 85.002 -11.051 -4.839 1.00 0.00 C ATOM 1633 C ILE A 106 84.301 -11.683 -6.039 1.00 0.00 C ATOM 1634 O ILE A 106 83.707 -12.756 -5.926 1.00 0.00 O ATOM 1635 CB ILE A 106 84.221 -9.816 -4.389 1.00 0.00 C ATOM 1636 CG1 ILE A 106 84.801 -9.293 -3.070 1.00 0.00 C ATOM 1637 CG2 ILE A 106 82.754 -10.196 -4.182 1.00 0.00 C ATOM 1638 CD1 ILE A 106 84.091 -9.968 -1.893 1.00 0.00 C ATOM 0 H ILE A 106 86.628 -9.720 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 106 85.031 -11.773 -4.023 1.00 0.00 H new ATOM 0 HB ILE A 106 84.297 -9.040 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 106 85.871 -9.495 -3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 106 84.678 -8.212 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 106 82.193 -9.319 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 106 82.339 -10.570 -5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 106 82.683 -10.971 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 106 84.505 -9.595 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 106 83.025 -9.744 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 106 84.237 -11.047 -1.950 1.00 0.00 H new ATOM 1650 N GLU A 107 84.368 -11.014 -7.186 1.00 0.00 N ATOM 1651 CA GLU A 107 83.730 -11.525 -8.395 1.00 0.00 C ATOM 1652 C GLU A 107 84.275 -12.905 -8.751 1.00 0.00 C ATOM 1653 O GLU A 107 83.639 -13.663 -9.482 1.00 0.00 O ATOM 1654 CB GLU A 107 83.969 -10.566 -9.564 1.00 0.00 C ATOM 1655 CG GLU A 107 83.317 -11.130 -10.828 1.00 0.00 C ATOM 1656 CD GLU A 107 84.382 -11.720 -11.748 1.00 0.00 C ATOM 1657 OE1 GLU A 107 84.826 -12.823 -11.477 1.00 0.00 O ATOM 1658 OE2 GLU A 107 84.737 -11.058 -12.710 1.00 0.00 O ATOM 0 H GLU A 107 84.853 -10.125 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 107 82.660 -11.606 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 107 83.553 -9.585 -9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.039 -10.430 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 107 82.591 -11.897 -10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 107 82.772 -10.342 -11.348 1.00 0.00 H new ATOM 1665 N ARG A 108 85.455 -13.222 -8.230 1.00 0.00 N ATOM 1666 CA ARG A 108 86.077 -14.513 -8.502 1.00 0.00 C ATOM 1667 C ARG A 108 85.505 -15.590 -7.585 1.00 0.00 C ATOM 1668 O ARG A 108 85.659 -16.783 -7.842 1.00 0.00 O ATOM 1669 CB ARG A 108 87.590 -14.416 -8.296 1.00 0.00 C ATOM 1670 CG ARG A 108 88.305 -14.704 -9.618 1.00 0.00 C ATOM 1671 CD ARG A 108 89.818 -14.669 -9.397 1.00 0.00 C ATOM 1672 NE ARG A 108 90.490 -14.143 -10.579 1.00 0.00 N ATOM 1673 CZ ARG A 108 90.601 -14.870 -11.686 1.00 0.00 C ATOM 1674 NH1 ARG A 108 90.108 -16.078 -11.726 1.00 0.00 N ATOM 1675 NH2 ARG A 108 91.205 -14.377 -12.733 1.00 0.00 N ATOM 0 H ARG A 108 85.997 -12.608 -7.622 1.00 0.00 H new ATOM 0 HA ARG A 108 85.867 -14.785 -9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 108 87.856 -13.422 -7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 108 87.910 -15.127 -7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.005 -15.679 -10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.019 -13.966 -10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 108 90.052 -14.049 -8.531 1.00 0.00 H new ATOM 0 HD3 ARG A 108 90.184 -15.672 -9.179 1.00 0.00 H new ATOM 0 HE ARG A 108 90.881 -13.201 -10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 108 89.637 -16.464 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 108 90.193 -16.636 -12.576 1.00 0.00 H new ATOM 0 HH21 ARG A 108 91.592 -13.434 -12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 108 91.290 -14.935 -13.583 1.00 0.00 H new