USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 810 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 42 GLN : amide:sc= -1.56 K(o=-2,f=-3.3!) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -0.443 USER MOD Set 2.1: A 53 ASN : amide:sc= -1.27 K(o=-3.8,f=-8.9!) USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= -2.5 F(o=-4.9!,f=-3.8) USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0.448 USER MOD Set 3.2: A 31 SER OG : rot -73:sc= 0.316 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 52:sc= 1.1 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 150:sc= -1.16 (180deg=-2.41!) USER MOD Single : A 14 SER OG : rot -34:sc= 1.02 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0678 USER MOD Single : A 27 HIS : no HE2:sc= -6.38! C(o=-6.4!,f=-7.9!) USER MOD Single : A 32 GLN : amide:sc=-0.00202 X(o=-0.002,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -118:sc= 0.937 (180deg=-1.6!) USER MOD Single : A 35 THR OG1 : rot 98:sc= 0.261 USER MOD Single : A 38 GLN : amide:sc= -2.34 K(o=-2.3,f=-3.3) USER MOD Single : A 40 GLN : amide:sc= -8.65! C(o=-8.7!,f=-19!) USER MOD Single : A 46 HIS : no HD1:sc= -3.06! C(o=-3.1!,f=-7.4!) USER MOD Single : A 47 ASN : amide:sc= -4.71! C(o=-4.7!,f=-4.4!) USER MOD Single : A 48 GLN : amide:sc= -6.17! C(o=-6.2!,f=-14!) USER MOD Single : A 49 THR OG1 : rot 99:sc= 1 USER MOD Single : A 51 SER OG : rot -168:sc= 0.103 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.275 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -179:sc= -3.75! (180deg=-3.84!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 130:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0392 K(o=-0.039,f=-0.67) USER MOD Single : A 85 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.3) USER MOD Single : A 87 SER OG : rot 58:sc= 0.237! USER MOD Single : A 88 MET CE :methyl -123:sc= -3.47 (180deg=-7.2!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.548 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 123:sc= 0.0448 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.234 24.929 10.139 1.00 0.00 N ATOM 2 CA GLY A 1 -0.592 24.527 11.489 1.00 0.00 C ATOM 3 C GLY A 1 -0.953 23.041 11.541 1.00 0.00 C ATOM 4 O GLY A 1 -1.909 22.608 10.900 1.00 0.00 O ATOM 0 H1 GLY A 1 0.007 25.941 10.130 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.586 24.375 9.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.038 24.759 9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.240 24.727 12.164 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.436 25.122 11.838 1.00 0.00 H new ATOM 8 N SER A 2 -0.169 22.301 12.311 1.00 0.00 N ATOM 9 CA SER A 2 -0.394 20.873 12.455 1.00 0.00 C ATOM 10 C SER A 2 -0.242 20.465 13.922 1.00 0.00 C ATOM 11 O SER A 2 0.872 20.255 14.399 1.00 0.00 O ATOM 12 CB SER A 2 0.571 20.072 11.579 1.00 0.00 C ATOM 13 OG SER A 2 1.913 20.154 12.049 1.00 0.00 O ATOM 0 H SER A 2 0.623 22.664 12.842 1.00 0.00 H new ATOM 0 HA SER A 2 -1.409 20.652 12.126 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.258 19.028 11.556 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.523 20.442 10.555 1.00 0.00 H new ATOM 0 HG SER A 2 1.940 19.928 13.002 1.00 0.00 H new ATOM 19 N SER A 3 -1.378 20.364 14.596 1.00 0.00 N ATOM 20 CA SER A 3 -1.385 19.985 15.999 1.00 0.00 C ATOM 21 C SER A 3 -1.981 18.585 16.159 1.00 0.00 C ATOM 22 O SER A 3 -3.181 18.392 15.969 1.00 0.00 O ATOM 23 CB SER A 3 -2.168 20.995 16.839 1.00 0.00 C ATOM 24 OG SER A 3 -1.347 22.073 17.280 1.00 0.00 O ATOM 0 H SER A 3 -2.300 20.538 14.197 1.00 0.00 H new ATOM 0 HA SER A 3 -0.355 19.978 16.357 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.998 21.388 16.252 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.599 20.491 17.704 1.00 0.00 H new ATOM 0 HG SER A 3 -1.884 22.697 17.812 1.00 0.00 H new ATOM 30 N GLY A 4 -1.116 17.644 16.509 1.00 0.00 N ATOM 31 CA GLY A 4 -1.543 16.268 16.697 1.00 0.00 C ATOM 32 C GLY A 4 -2.075 15.676 15.391 1.00 0.00 C ATOM 33 O GLY A 4 -2.212 16.383 14.394 1.00 0.00 O ATOM 0 H GLY A 4 -0.122 17.808 16.667 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.706 15.670 17.057 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.318 16.225 17.462 1.00 0.00 H new ATOM 37 N SER A 5 -2.363 14.383 15.439 1.00 0.00 N ATOM 38 CA SER A 5 -2.877 13.687 14.272 1.00 0.00 C ATOM 39 C SER A 5 -4.401 13.579 14.357 1.00 0.00 C ATOM 40 O SER A 5 -4.984 13.792 15.419 1.00 0.00 O ATOM 41 CB SER A 5 -2.253 12.297 14.140 1.00 0.00 C ATOM 42 OG SER A 5 -1.981 11.960 12.782 1.00 0.00 O ATOM 0 H SER A 5 -2.250 13.800 16.268 1.00 0.00 H new ATOM 0 HA SER A 5 -2.608 14.261 13.385 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.328 12.259 14.715 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.926 11.555 14.570 1.00 0.00 H new ATOM 0 HG SER A 5 -1.582 11.066 12.740 1.00 0.00 H new ATOM 48 N SER A 6 -5.003 13.247 13.225 1.00 0.00 N ATOM 49 CA SER A 6 -6.448 13.108 13.158 1.00 0.00 C ATOM 50 C SER A 6 -6.859 12.565 11.788 1.00 0.00 C ATOM 51 O SER A 6 -6.216 12.860 10.781 1.00 0.00 O ATOM 52 CB SER A 6 -7.143 14.443 13.430 1.00 0.00 C ATOM 53 OG SER A 6 -6.894 15.395 12.399 1.00 0.00 O ATOM 0 H SER A 6 -4.516 13.070 12.346 1.00 0.00 H new ATOM 0 HA SER A 6 -6.760 12.403 13.929 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.217 14.280 13.522 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.799 14.843 14.384 1.00 0.00 H new ATOM 0 HG SER A 6 -7.356 16.233 12.609 1.00 0.00 H new ATOM 59 N GLY A 7 -7.927 11.782 11.793 1.00 0.00 N ATOM 60 CA GLY A 7 -8.431 11.195 10.563 1.00 0.00 C ATOM 61 C GLY A 7 -8.524 9.672 10.679 1.00 0.00 C ATOM 62 O GLY A 7 -8.431 9.123 11.776 1.00 0.00 O ATOM 0 H GLY A 7 -8.458 11.540 12.630 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.414 11.607 10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.775 11.461 9.734 1.00 0.00 H new ATOM 66 N THR A 8 -8.705 9.033 9.533 1.00 0.00 N ATOM 67 CA THR A 8 -8.811 7.584 9.492 1.00 0.00 C ATOM 68 C THR A 8 -7.523 6.971 8.939 1.00 0.00 C ATOM 69 O THR A 8 -7.224 7.109 7.754 1.00 0.00 O ATOM 70 CB THR A 8 -10.055 7.224 8.677 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.091 8.010 9.259 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.508 5.781 8.908 1.00 0.00 C ATOM 0 H THR A 8 -8.781 9.492 8.625 1.00 0.00 H new ATOM 0 HA THR A 8 -8.929 7.167 10.492 1.00 0.00 H new ATOM 0 HB THR A 8 -9.851 7.376 7.617 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.934 7.840 8.789 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.394 5.577 8.307 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.709 5.098 8.620 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.745 5.638 9.962 1.00 0.00 H new ATOM 80 N MET A 9 -6.795 6.306 9.824 1.00 0.00 N ATOM 81 CA MET A 9 -5.546 5.670 9.439 1.00 0.00 C ATOM 82 C MET A 9 -5.669 4.146 9.485 1.00 0.00 C ATOM 83 O MET A 9 -6.163 3.589 10.465 1.00 0.00 O ATOM 84 CB MET A 9 -4.431 6.121 10.385 1.00 0.00 C ATOM 85 CG MET A 9 -3.130 5.369 10.097 1.00 0.00 C ATOM 86 SD MET A 9 -2.485 4.665 11.605 1.00 0.00 S ATOM 87 CE MET A 9 -3.293 3.073 11.573 1.00 0.00 C ATOM 0 H MET A 9 -7.046 6.194 10.806 1.00 0.00 H new ATOM 0 HA MET A 9 -5.310 5.966 8.417 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.268 7.193 10.275 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.734 5.949 11.418 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.310 4.581 9.366 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.397 6.047 9.660 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.664 2.336 12.071 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.251 3.141 12.089 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.458 2.770 10.539 1.00 0.00 H new ATOM 97 N LEU A 10 -5.212 3.514 8.414 1.00 0.00 N ATOM 98 CA LEU A 10 -5.265 2.065 8.320 1.00 0.00 C ATOM 99 C LEU A 10 -3.842 1.505 8.345 1.00 0.00 C ATOM 100 O LEU A 10 -2.975 1.968 7.604 1.00 0.00 O ATOM 101 CB LEU A 10 -6.074 1.637 7.094 1.00 0.00 C ATOM 102 CG LEU A 10 -7.593 1.605 7.270 1.00 0.00 C ATOM 103 CD1 LEU A 10 -8.077 0.191 7.600 1.00 0.00 C ATOM 104 CD2 LEU A 10 -8.045 2.624 8.318 1.00 0.00 C ATOM 0 H LEU A 10 -4.803 3.979 7.604 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.788 1.646 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.838 2.314 6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.742 0.643 6.793 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.053 1.890 6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.160 0.196 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.805 -0.485 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.611 -0.146 8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.129 2.581 8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.577 2.393 9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.751 3.625 8.003 1.00 0.00 H new ATOM 116 N ARG A 11 -3.644 0.515 9.203 1.00 0.00 N ATOM 117 CA ARG A 11 -2.341 -0.114 9.334 1.00 0.00 C ATOM 118 C ARG A 11 -2.143 -1.159 8.234 1.00 0.00 C ATOM 119 O ARG A 11 -2.984 -2.037 8.049 1.00 0.00 O ATOM 120 CB ARG A 11 -2.188 -0.786 10.699 1.00 0.00 C ATOM 121 CG ARG A 11 -0.930 -0.291 11.416 1.00 0.00 C ATOM 122 CD ARG A 11 -0.889 -0.792 12.861 1.00 0.00 C ATOM 123 NE ARG A 11 0.152 -0.065 13.620 1.00 0.00 N ATOM 124 CZ ARG A 11 0.551 -0.396 14.856 1.00 0.00 C ATOM 125 NH1 ARG A 11 -0.003 -1.445 15.480 1.00 0.00 N ATOM 126 NH2 ARG A 11 1.503 0.321 15.468 1.00 0.00 N ATOM 0 H ARG A 11 -4.365 0.133 9.815 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.586 0.666 9.239 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.065 -0.578 11.311 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.137 -1.867 10.572 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.044 -0.635 10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.906 0.799 11.404 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.861 -0.648 13.332 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.682 -1.862 12.878 1.00 0.00 H new ATOM 0 HE ARG A 11 0.594 0.739 13.175 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.728 -1.991 15.014 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.300 -1.697 16.421 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.925 1.119 14.993 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.806 0.069 16.409 1.00 0.00 H new ATOM 140 N VAL A 12 -1.027 -1.029 7.532 1.00 0.00 N ATOM 141 CA VAL A 12 -0.708 -1.951 6.456 1.00 0.00 C ATOM 142 C VAL A 12 0.643 -2.611 6.739 1.00 0.00 C ATOM 143 O VAL A 12 1.688 -1.975 6.610 1.00 0.00 O ATOM 144 CB VAL A 12 -0.746 -1.220 5.112 1.00 0.00 C ATOM 145 CG1 VAL A 12 -0.233 -2.118 3.985 1.00 0.00 C ATOM 146 CG2 VAL A 12 -2.155 -0.708 4.807 1.00 0.00 C ATOM 0 H VAL A 12 -0.332 -0.299 7.688 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.453 -2.745 6.401 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.083 -0.357 5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.271 -1.574 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.796 -2.412 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.858 -3.008 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.155 -0.192 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.847 -1.549 4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.468 -0.017 5.590 1.00 0.00 H new ATOM 156 N ARG A 13 0.579 -3.878 7.119 1.00 0.00 N ATOM 157 CA ARG A 13 1.784 -4.632 7.421 1.00 0.00 C ATOM 158 C ARG A 13 2.434 -5.134 6.130 1.00 0.00 C ATOM 159 O ARG A 13 1.749 -5.641 5.243 1.00 0.00 O ATOM 160 CB ARG A 13 1.475 -5.826 8.327 1.00 0.00 C ATOM 161 CG ARG A 13 2.729 -6.667 8.572 1.00 0.00 C ATOM 162 CD ARG A 13 3.292 -6.417 9.972 1.00 0.00 C ATOM 163 NE ARG A 13 3.881 -7.664 10.511 1.00 0.00 N ATOM 164 CZ ARG A 13 4.301 -7.811 11.774 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.200 -6.791 12.638 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.822 -8.979 12.175 1.00 0.00 N ATOM 0 H ARG A 13 -0.289 -4.402 7.225 1.00 0.00 H new ATOM 0 HA ARG A 13 2.471 -3.964 7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.079 -5.472 9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.702 -6.444 7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.491 -7.724 8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.484 -6.426 7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.049 -5.634 9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.501 -6.063 10.633 1.00 0.00 H new ATOM 0 HE ARG A 13 3.973 -8.461 9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.803 -5.902 12.334 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.520 -6.904 13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.899 -9.756 11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.142 -9.091 13.137 1.00 0.00 H new ATOM 180 N SER A 14 3.748 -4.975 6.066 1.00 0.00 N ATOM 181 CA SER A 14 4.497 -5.406 4.899 1.00 0.00 C ATOM 182 C SER A 14 5.689 -6.264 5.329 1.00 0.00 C ATOM 183 O SER A 14 6.087 -6.240 6.493 1.00 0.00 O ATOM 184 CB SER A 14 4.975 -4.207 4.078 1.00 0.00 C ATOM 185 OG SER A 14 6.040 -3.510 4.720 1.00 0.00 O ATOM 0 H SER A 14 4.313 -4.554 6.804 1.00 0.00 H new ATOM 0 HA SER A 14 3.836 -6.003 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.305 -4.548 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.141 -3.524 3.915 1.00 0.00 H new ATOM 0 HG SER A 14 5.916 -3.546 5.691 1.00 0.00 H new ATOM 191 N ARG A 15 6.226 -7.000 4.368 1.00 0.00 N ATOM 192 CA ARG A 15 7.364 -7.864 4.633 1.00 0.00 C ATOM 193 C ARG A 15 8.610 -7.025 4.924 1.00 0.00 C ATOM 194 O ARG A 15 9.609 -7.542 5.421 1.00 0.00 O ATOM 195 CB ARG A 15 7.644 -8.785 3.445 1.00 0.00 C ATOM 196 CG ARG A 15 7.704 -7.993 2.137 1.00 0.00 C ATOM 197 CD ARG A 15 8.928 -8.389 1.310 1.00 0.00 C ATOM 198 NE ARG A 15 8.527 -8.669 -0.086 1.00 0.00 N ATOM 199 CZ ARG A 15 9.372 -9.075 -1.044 1.00 0.00 C ATOM 200 NH1 ARG A 15 10.670 -9.252 -0.761 1.00 0.00 N ATOM 201 NH2 ARG A 15 8.919 -9.304 -2.284 1.00 0.00 N ATOM 0 H ARG A 15 5.894 -7.016 3.404 1.00 0.00 H new ATOM 0 HA ARG A 15 7.122 -8.475 5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.588 -9.308 3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.865 -9.545 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.797 -8.171 1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.739 -6.926 2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.666 -7.587 1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.401 -9.269 1.745 1.00 0.00 H new ATOM 0 HE ARG A 15 7.546 -8.545 -0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.014 -9.078 0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.313 -9.561 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.931 -9.169 -2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.562 -9.613 -3.013 1.00 0.00 H new ATOM 215 N ASP A 16 8.510 -5.743 4.602 1.00 0.00 N ATOM 216 CA ASP A 16 9.616 -4.828 4.823 1.00 0.00 C ATOM 217 C ASP A 16 9.448 -4.150 6.184 1.00 0.00 C ATOM 218 O ASP A 16 10.377 -3.520 6.687 1.00 0.00 O ATOM 219 CB ASP A 16 9.650 -3.736 3.752 1.00 0.00 C ATOM 220 CG ASP A 16 10.997 -3.027 3.593 1.00 0.00 C ATOM 221 OD1 ASP A 16 12.019 -3.746 3.587 1.00 0.00 O ATOM 222 OD2 ASP A 16 10.973 -1.783 3.480 1.00 0.00 O ATOM 0 H ASP A 16 7.680 -5.317 4.190 1.00 0.00 H new ATOM 0 HA ASP A 16 10.542 -5.402 4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.374 -4.178 2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.890 -2.991 3.990 1.00 0.00 H new ATOM 227 N GLY A 17 8.255 -4.302 6.741 1.00 0.00 N ATOM 228 CA GLY A 17 7.953 -3.712 8.034 1.00 0.00 C ATOM 229 C GLY A 17 6.528 -3.155 8.063 1.00 0.00 C ATOM 230 O GLY A 17 5.955 -2.851 7.018 1.00 0.00 O ATOM 0 H GLY A 17 7.487 -4.825 6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.070 -4.462 8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.664 -2.914 8.249 1.00 0.00 H new ATOM 234 N LEU A 18 5.997 -3.039 9.272 1.00 0.00 N ATOM 235 CA LEU A 18 4.650 -2.525 9.451 1.00 0.00 C ATOM 236 C LEU A 18 4.642 -1.020 9.173 1.00 0.00 C ATOM 237 O LEU A 18 5.496 -0.289 9.673 1.00 0.00 O ATOM 238 CB LEU A 18 4.113 -2.898 10.834 1.00 0.00 C ATOM 239 CG LEU A 18 2.655 -3.356 10.886 1.00 0.00 C ATOM 240 CD1 LEU A 18 2.313 -3.945 12.257 1.00 0.00 C ATOM 241 CD2 LEU A 18 1.708 -2.218 10.499 1.00 0.00 C ATOM 0 H LEU A 18 6.475 -3.292 10.137 1.00 0.00 H new ATOM 0 HA LEU A 18 3.968 -2.985 8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.737 -3.693 11.242 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.226 -2.035 11.490 1.00 0.00 H new ATOM 0 HG LEU A 18 2.521 -4.150 10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.270 -4.263 12.267 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.956 -4.803 12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.469 -3.189 13.027 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.678 -2.571 10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.837 -1.386 11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.934 -1.886 9.486 1.00 0.00 H new ATOM 253 N GLU A 19 3.669 -0.602 8.378 1.00 0.00 N ATOM 254 CA GLU A 19 3.539 0.802 8.028 1.00 0.00 C ATOM 255 C GLU A 19 2.082 1.249 8.160 1.00 0.00 C ATOM 256 O GLU A 19 1.190 0.423 8.350 1.00 0.00 O ATOM 257 CB GLU A 19 4.069 1.067 6.618 1.00 0.00 C ATOM 258 CG GLU A 19 5.596 1.164 6.615 1.00 0.00 C ATOM 259 CD GLU A 19 6.135 1.284 5.188 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.483 0.716 4.285 1.00 0.00 O ATOM 261 OE2 GLU A 19 7.187 1.941 5.032 1.00 0.00 O ATOM 0 H GLU A 19 2.962 -1.211 7.966 1.00 0.00 H new ATOM 0 HA GLU A 19 4.142 1.387 8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.751 0.267 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.642 1.993 6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.910 2.028 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.021 0.283 7.095 1.00 0.00 H new ATOM 268 N ARG A 20 1.885 2.555 8.053 1.00 0.00 N ATOM 269 CA ARG A 20 0.551 3.122 8.158 1.00 0.00 C ATOM 270 C ARG A 20 0.230 3.956 6.916 1.00 0.00 C ATOM 271 O ARG A 20 1.104 4.628 6.372 1.00 0.00 O ATOM 272 CB ARG A 20 0.423 4.003 9.402 1.00 0.00 C ATOM 273 CG ARG A 20 1.376 5.198 9.329 1.00 0.00 C ATOM 274 CD ARG A 20 0.986 6.273 10.345 1.00 0.00 C ATOM 275 NE ARG A 20 0.306 7.395 9.659 1.00 0.00 N ATOM 276 CZ ARG A 20 0.931 8.287 8.879 1.00 0.00 C ATOM 277 NH1 ARG A 20 2.252 8.194 8.680 1.00 0.00 N ATOM 278 NH2 ARG A 20 0.233 9.272 8.297 1.00 0.00 N ATOM 0 H ARG A 20 2.627 3.237 7.895 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.155 2.296 8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.603 4.357 9.497 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.640 3.414 10.293 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.397 4.866 9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.360 5.620 8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.329 5.847 11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.874 6.636 10.861 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.701 7.495 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.783 7.444 9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.727 8.873 8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.773 9.342 8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.708 9.952 7.703 1.00 0.00 H new ATOM 292 N VAL A 21 -1.028 3.884 6.503 1.00 0.00 N ATOM 293 CA VAL A 21 -1.475 4.624 5.336 1.00 0.00 C ATOM 294 C VAL A 21 -2.764 5.374 5.676 1.00 0.00 C ATOM 295 O VAL A 21 -3.588 4.883 6.446 1.00 0.00 O ATOM 296 CB VAL A 21 -1.631 3.677 4.144 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.038 4.443 2.884 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.349 2.875 3.909 1.00 0.00 C ATOM 0 H VAL A 21 -1.751 3.325 6.956 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.732 5.368 5.048 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.428 2.972 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.142 3.746 2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.989 4.947 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.274 5.182 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.487 2.210 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.476 3.558 3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.121 2.285 4.797 1.00 0.00 H new ATOM 308 N SER A 22 -2.899 6.553 5.085 1.00 0.00 N ATOM 309 CA SER A 22 -4.074 7.376 5.316 1.00 0.00 C ATOM 310 C SER A 22 -5.200 6.958 4.368 1.00 0.00 C ATOM 311 O SER A 22 -4.944 6.402 3.301 1.00 0.00 O ATOM 312 CB SER A 22 -3.751 8.860 5.135 1.00 0.00 C ATOM 313 OG SER A 22 -4.913 9.626 4.829 1.00 0.00 O ATOM 0 H SER A 22 -2.214 6.957 4.447 1.00 0.00 H new ATOM 0 HA SER A 22 -4.400 7.226 6.345 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.293 9.245 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.019 8.977 4.336 1.00 0.00 H new ATOM 0 HG SER A 22 -4.665 10.568 4.723 1.00 0.00 H new ATOM 319 N VAL A 23 -6.423 7.243 4.791 1.00 0.00 N ATOM 320 CA VAL A 23 -7.589 6.904 3.993 1.00 0.00 C ATOM 321 C VAL A 23 -8.653 7.989 4.166 1.00 0.00 C ATOM 322 O VAL A 23 -8.360 9.078 4.659 1.00 0.00 O ATOM 323 CB VAL A 23 -8.092 5.508 4.368 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.928 4.523 4.500 1.00 0.00 C ATOM 325 CG2 VAL A 23 -8.922 5.552 5.652 1.00 0.00 C ATOM 0 H VAL A 23 -6.632 7.705 5.676 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.330 6.868 2.935 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.738 5.157 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.313 3.539 4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.396 4.459 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.245 4.868 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.267 4.548 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.309 5.934 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.782 6.206 5.507 1.00 0.00 H new ATOM 335 N ASP A 24 -9.866 7.655 3.751 1.00 0.00 N ATOM 336 CA ASP A 24 -10.975 8.588 3.853 1.00 0.00 C ATOM 337 C ASP A 24 -12.097 7.951 4.676 1.00 0.00 C ATOM 338 O ASP A 24 -12.668 8.594 5.556 1.00 0.00 O ATOM 339 CB ASP A 24 -11.538 8.929 2.472 1.00 0.00 C ATOM 340 CG ASP A 24 -10.624 9.788 1.596 1.00 0.00 C ATOM 341 OD1 ASP A 24 -9.747 10.462 2.179 1.00 0.00 O ATOM 342 OD2 ASP A 24 -10.822 9.752 0.362 1.00 0.00 O ATOM 0 H ASP A 24 -10.105 6.751 3.343 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.607 9.498 4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.754 8.000 1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.487 9.450 2.601 1.00 0.00 H new ATOM 347 N GLY A 25 -12.378 6.696 4.362 1.00 0.00 N ATOM 348 CA GLY A 25 -13.421 5.965 5.061 1.00 0.00 C ATOM 349 C GLY A 25 -13.831 4.713 4.282 1.00 0.00 C ATOM 350 O GLY A 25 -13.111 4.272 3.388 1.00 0.00 O ATOM 0 H GLY A 25 -11.901 6.166 3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.069 5.681 6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.289 6.609 5.203 1.00 0.00 H new ATOM 354 N PRO A 26 -15.015 4.162 4.661 1.00 0.00 N ATOM 355 CA PRO A 26 -15.528 2.970 4.008 1.00 0.00 C ATOM 356 C PRO A 26 -16.086 3.301 2.622 1.00 0.00 C ATOM 357 O PRO A 26 -16.153 2.433 1.753 1.00 0.00 O ATOM 358 CB PRO A 26 -16.583 2.425 4.957 1.00 0.00 C ATOM 359 CG PRO A 26 -16.949 3.576 5.879 1.00 0.00 C ATOM 360 CD PRO A 26 -15.893 4.658 5.716 1.00 0.00 C ATOM 0 HA PRO A 26 -14.754 2.225 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.456 2.071 4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.198 1.578 5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.936 3.965 5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.992 3.237 6.914 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.343 5.612 5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.345 4.820 6.644 1.00 0.00 H new ATOM 368 N HIS A 27 -16.470 4.558 2.459 1.00 0.00 N ATOM 369 CA HIS A 27 -17.020 5.014 1.193 1.00 0.00 C ATOM 370 C HIS A 27 -16.019 4.735 0.069 1.00 0.00 C ATOM 371 O HIS A 27 -16.386 4.726 -1.105 1.00 0.00 O ATOM 372 CB HIS A 27 -17.423 6.488 1.275 1.00 0.00 C ATOM 373 CG HIS A 27 -16.364 7.381 1.876 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.490 8.758 1.934 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.162 7.081 2.445 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.406 9.254 2.512 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.584 8.212 2.828 1.00 0.00 N ATOM 0 H HIS A 27 -16.411 5.275 3.182 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.931 4.460 0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.660 6.846 0.273 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.334 6.573 1.867 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.283 9.299 1.590 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.750 6.090 2.564 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.208 10.299 2.700 1.00 0.00 H new ATOM 385 N ILE A 28 -14.776 4.514 0.469 1.00 0.00 N ATOM 386 CA ILE A 28 -13.720 4.235 -0.490 1.00 0.00 C ATOM 387 C ILE A 28 -13.682 2.733 -0.778 1.00 0.00 C ATOM 388 O ILE A 28 -14.000 1.923 0.091 1.00 0.00 O ATOM 389 CB ILE A 28 -12.386 4.801 0.002 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.713 3.842 0.986 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.570 6.198 0.599 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.406 3.293 0.409 1.00 0.00 C ATOM 0 H ILE A 28 -14.476 4.522 1.444 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.923 4.736 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.721 4.902 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.512 4.360 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.388 3.018 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.607 6.577 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.975 6.868 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.259 6.146 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.948 2.614 1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.614 2.755 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.724 4.118 0.203 1.00 0.00 H new ATOM 404 N THR A 29 -13.290 2.407 -2.000 1.00 0.00 N ATOM 405 CA THR A 29 -13.206 1.017 -2.414 1.00 0.00 C ATOM 406 C THR A 29 -11.745 0.568 -2.483 1.00 0.00 C ATOM 407 O THR A 29 -10.834 1.383 -2.340 1.00 0.00 O ATOM 408 CB THR A 29 -13.949 0.873 -3.743 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.287 1.787 -4.612 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.384 1.399 -3.671 1.00 0.00 C ATOM 0 H THR A 29 -13.027 3.082 -2.718 1.00 0.00 H new ATOM 0 HA THR A 29 -13.681 0.359 -1.687 1.00 0.00 H new ATOM 0 HB THR A 29 -13.961 -0.176 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.705 1.757 -5.498 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.867 1.273 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.938 0.843 -2.915 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.371 2.456 -3.407 1.00 0.00 H new ATOM 418 N VAL A 30 -11.566 -0.726 -2.704 1.00 0.00 N ATOM 419 CA VAL A 30 -10.231 -1.292 -2.794 1.00 0.00 C ATOM 420 C VAL A 30 -9.414 -0.501 -3.818 1.00 0.00 C ATOM 421 O VAL A 30 -8.220 -0.276 -3.624 1.00 0.00 O ATOM 422 CB VAL A 30 -10.317 -2.784 -3.122 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.975 -3.311 -3.635 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.793 -3.586 -1.909 1.00 0.00 C ATOM 0 H VAL A 30 -12.323 -1.399 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.717 -1.212 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.053 -2.910 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.064 -4.374 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.693 -2.770 -4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.211 -3.165 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.845 -4.643 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.093 -3.450 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.781 -3.237 -1.607 1.00 0.00 H new ATOM 434 N SER A 31 -10.090 -0.101 -4.885 1.00 0.00 N ATOM 435 CA SER A 31 -9.442 0.660 -5.939 1.00 0.00 C ATOM 436 C SER A 31 -8.808 1.925 -5.357 1.00 0.00 C ATOM 437 O SER A 31 -7.671 2.262 -5.686 1.00 0.00 O ATOM 438 CB SER A 31 -10.434 1.025 -7.045 1.00 0.00 C ATOM 439 OG SER A 31 -11.194 2.186 -6.719 1.00 0.00 O ATOM 0 H SER A 31 -11.080 -0.290 -5.042 1.00 0.00 H new ATOM 0 HA SER A 31 -8.662 0.039 -6.379 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.893 1.196 -7.976 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.109 0.187 -7.218 1.00 0.00 H new ATOM 0 HG SER A 31 -11.851 1.963 -6.027 1.00 0.00 H new ATOM 445 N GLN A 32 -9.570 2.592 -4.502 1.00 0.00 N ATOM 446 CA GLN A 32 -9.097 3.812 -3.871 1.00 0.00 C ATOM 447 C GLN A 32 -8.075 3.484 -2.781 1.00 0.00 C ATOM 448 O GLN A 32 -7.152 4.259 -2.536 1.00 0.00 O ATOM 449 CB GLN A 32 -10.263 4.624 -3.304 1.00 0.00 C ATOM 450 CG GLN A 32 -11.262 4.990 -4.403 1.00 0.00 C ATOM 451 CD GLN A 32 -11.695 6.453 -4.285 1.00 0.00 C ATOM 452 OE1 GLN A 32 -10.925 7.374 -4.499 1.00 0.00 O ATOM 453 NE2 GLN A 32 -12.968 6.613 -3.935 1.00 0.00 N ATOM 0 H GLN A 32 -10.512 2.310 -4.232 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.607 4.423 -4.629 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.767 4.050 -2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.884 5.532 -2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.812 4.818 -5.381 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.136 4.342 -4.336 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.558 5.797 -3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.354 7.551 -3.831 1.00 0.00 H new ATOM 462 N LEU A 33 -8.274 2.333 -2.155 1.00 0.00 N ATOM 463 CA LEU A 33 -7.382 1.893 -1.096 1.00 0.00 C ATOM 464 C LEU A 33 -5.998 1.612 -1.685 1.00 0.00 C ATOM 465 O LEU A 33 -5.017 2.248 -1.304 1.00 0.00 O ATOM 466 CB LEU A 33 -7.985 0.703 -0.347 1.00 0.00 C ATOM 467 CG LEU A 33 -7.668 0.620 1.147 1.00 0.00 C ATOM 468 CD1 LEU A 33 -8.266 -0.646 1.765 1.00 0.00 C ATOM 469 CD2 LEU A 33 -6.162 0.721 1.395 1.00 0.00 C ATOM 0 H LEU A 33 -9.040 1.692 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.258 2.679 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.068 0.735 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.638 -0.214 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.134 1.472 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.026 -0.680 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.348 -0.637 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.850 -1.524 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.965 0.659 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.654 -0.097 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.793 1.673 1.012 1.00 0.00 H new ATOM 481 N LYS A 34 -5.964 0.658 -2.603 1.00 0.00 N ATOM 482 CA LYS A 34 -4.717 0.284 -3.249 1.00 0.00 C ATOM 483 C LYS A 34 -4.009 1.545 -3.749 1.00 0.00 C ATOM 484 O LYS A 34 -2.830 1.753 -3.467 1.00 0.00 O ATOM 485 CB LYS A 34 -4.970 -0.754 -4.344 1.00 0.00 C ATOM 486 CG LYS A 34 -5.038 -2.165 -3.756 1.00 0.00 C ATOM 487 CD LYS A 34 -5.761 -3.121 -4.707 1.00 0.00 C ATOM 488 CE LYS A 34 -5.635 -4.569 -4.229 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.448 -5.467 -5.078 1.00 0.00 N ATOM 0 H LYS A 34 -6.780 0.132 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.048 -0.197 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.903 -0.525 -4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.175 -0.704 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.030 -2.532 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.556 -2.139 -2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.814 -2.846 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.343 -3.027 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.590 -4.878 -4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.961 -4.646 -3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.181 -5.923 -4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.899 -4.915 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.836 -6.195 -5.498 1.00 0.00 H new ATOM 503 N THR A 35 -4.759 2.355 -4.482 1.00 0.00 N ATOM 504 CA THR A 35 -4.218 3.590 -5.024 1.00 0.00 C ATOM 505 C THR A 35 -3.499 4.382 -3.931 1.00 0.00 C ATOM 506 O THR A 35 -2.381 4.853 -4.135 1.00 0.00 O ATOM 507 CB THR A 35 -5.366 4.362 -5.678 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.506 3.756 -6.961 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.993 5.812 -5.990 1.00 0.00 C ATOM 0 H THR A 35 -5.737 2.180 -4.713 1.00 0.00 H new ATOM 0 HA THR A 35 -3.465 3.391 -5.786 1.00 0.00 H new ATOM 0 HB THR A 35 -6.236 4.344 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.234 3.101 -6.936 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.842 6.315 -6.453 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.726 6.326 -5.066 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.144 5.830 -6.674 1.00 0.00 H new ATOM 517 N LEU A 36 -4.169 4.504 -2.795 1.00 0.00 N ATOM 518 CA LEU A 36 -3.608 5.231 -1.669 1.00 0.00 C ATOM 519 C LEU A 36 -2.222 4.670 -1.345 1.00 0.00 C ATOM 520 O LEU A 36 -1.212 5.343 -1.551 1.00 0.00 O ATOM 521 CB LEU A 36 -4.573 5.209 -0.482 1.00 0.00 C ATOM 522 CG LEU A 36 -5.623 6.322 -0.450 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.633 6.090 0.675 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.961 7.698 -0.352 1.00 0.00 C ATOM 0 H LEU A 36 -5.096 4.111 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.476 6.283 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.090 4.249 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.989 5.261 0.437 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.176 6.297 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.368 6.895 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.139 5.137 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.113 6.073 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.729 8.471 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.367 7.752 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.314 7.853 -1.216 1.00 0.00 H new ATOM 536 N ILE A 37 -2.217 3.444 -0.844 1.00 0.00 N ATOM 537 CA ILE A 37 -0.972 2.785 -0.490 1.00 0.00 C ATOM 538 C ILE A 37 -0.023 2.819 -1.689 1.00 0.00 C ATOM 539 O ILE A 37 1.188 2.962 -1.524 1.00 0.00 O ATOM 540 CB ILE A 37 -1.243 1.375 0.039 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.916 1.425 1.412 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.039 0.541 0.059 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.440 1.453 1.275 1.00 0.00 C ATOM 0 H ILE A 37 -3.056 2.889 -0.675 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.478 3.317 0.324 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.937 0.882 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.616 0.557 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.580 2.309 1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.182 -0.456 0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.439 0.464 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.775 1.021 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.894 1.488 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.738 2.335 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.775 0.556 0.754 1.00 0.00 H new ATOM 555 N GLN A 38 -0.608 2.686 -2.871 1.00 0.00 N ATOM 556 CA GLN A 38 0.171 2.701 -4.097 1.00 0.00 C ATOM 557 C GLN A 38 0.849 4.060 -4.280 1.00 0.00 C ATOM 558 O GLN A 38 1.921 4.148 -4.876 1.00 0.00 O ATOM 559 CB GLN A 38 -0.703 2.357 -5.305 1.00 0.00 C ATOM 560 CG GLN A 38 -0.154 3.001 -6.580 1.00 0.00 C ATOM 561 CD GLN A 38 -0.857 4.328 -6.871 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.347 5.403 -6.599 1.00 0.00 O ATOM 563 NE2 GLN A 38 -2.053 4.194 -7.437 1.00 0.00 N ATOM 0 H GLN A 38 -1.612 2.567 -3.005 1.00 0.00 H new ATOM 0 HA GLN A 38 0.946 1.939 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.748 1.275 -5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.723 2.700 -5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.918 3.169 -6.474 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.289 2.322 -7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.421 3.264 -7.638 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.602 5.021 -7.670 1.00 0.00 H new ATOM 572 N ASP A 39 0.196 5.087 -3.756 1.00 0.00 N ATOM 573 CA ASP A 39 0.722 6.437 -3.853 1.00 0.00 C ATOM 574 C ASP A 39 1.570 6.740 -2.617 1.00 0.00 C ATOM 575 O ASP A 39 2.728 7.138 -2.736 1.00 0.00 O ATOM 576 CB ASP A 39 -0.409 7.466 -3.914 1.00 0.00 C ATOM 577 CG ASP A 39 -0.110 8.706 -4.759 1.00 0.00 C ATOM 578 OD1 ASP A 39 0.546 8.534 -5.808 1.00 0.00 O ATOM 579 OD2 ASP A 39 -0.545 9.799 -4.335 1.00 0.00 O ATOM 0 H ASP A 39 -0.693 5.011 -3.263 1.00 0.00 H new ATOM 0 HA ASP A 39 1.318 6.501 -4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.301 6.981 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.645 7.785 -2.899 1.00 0.00 H new ATOM 584 N GLN A 40 0.961 6.541 -1.457 1.00 0.00 N ATOM 585 CA GLN A 40 1.646 6.787 -0.200 1.00 0.00 C ATOM 586 C GLN A 40 2.931 5.959 -0.124 1.00 0.00 C ATOM 587 O GLN A 40 4.022 6.511 0.008 1.00 0.00 O ATOM 588 CB GLN A 40 0.732 6.491 0.990 1.00 0.00 C ATOM 589 CG GLN A 40 -0.201 7.671 1.272 1.00 0.00 C ATOM 590 CD GLN A 40 -1.149 7.356 2.431 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.775 6.762 3.429 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.394 7.785 2.244 1.00 0.00 N ATOM 0 H GLN A 40 0.000 6.212 -1.362 1.00 0.00 H new ATOM 0 HA GLN A 40 1.914 7.843 -0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.142 5.597 0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.335 6.281 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.388 8.556 1.510 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.779 7.904 0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.641 8.276 1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.102 7.623 2.960 1.00 0.00 H new ATOM 601 N LEU A 41 2.758 4.649 -0.210 1.00 0.00 N ATOM 602 CA LEU A 41 3.890 3.739 -0.152 1.00 0.00 C ATOM 603 C LEU A 41 4.619 3.754 -1.497 1.00 0.00 C ATOM 604 O LEU A 41 5.707 3.193 -1.624 1.00 0.00 O ATOM 605 CB LEU A 41 3.435 2.345 0.285 1.00 0.00 C ATOM 606 CG LEU A 41 2.658 2.276 1.602 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.708 0.866 2.194 1.00 0.00 C ATOM 608 CD2 LEU A 41 3.159 3.331 2.590 1.00 0.00 C ATOM 0 H LEU A 41 1.851 4.195 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 41 4.605 4.067 0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.812 1.924 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.315 1.707 0.371 1.00 0.00 H new ATOM 0 HG LEU A 41 1.612 2.501 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.148 0.844 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.267 0.160 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.745 0.588 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.590 3.260 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.215 3.162 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.029 4.324 2.159 1.00 0.00 H new ATOM 620 N GLN A 42 3.991 4.401 -2.468 1.00 0.00 N ATOM 621 CA GLN A 42 4.567 4.497 -3.798 1.00 0.00 C ATOM 622 C GLN A 42 4.810 3.100 -4.373 1.00 0.00 C ATOM 623 O GLN A 42 5.926 2.776 -4.776 1.00 0.00 O ATOM 624 CB GLN A 42 5.860 5.314 -3.779 1.00 0.00 C ATOM 625 CG GLN A 42 5.562 6.809 -3.646 1.00 0.00 C ATOM 626 CD GLN A 42 4.715 7.305 -4.820 1.00 0.00 C ATOM 627 OE1 GLN A 42 4.571 6.647 -5.837 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.164 8.500 -4.622 1.00 0.00 N ATOM 0 H GLN A 42 3.089 4.864 -2.360 1.00 0.00 H new ATOM 0 HA GLN A 42 3.858 5.016 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.487 4.989 -2.949 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.423 5.132 -4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.037 6.997 -2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.497 7.368 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.326 8.997 -3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.580 8.919 -5.346 1.00 0.00 H new ATOM 637 N ILE A 43 3.747 2.309 -4.392 1.00 0.00 N ATOM 638 CA ILE A 43 3.831 0.954 -4.910 1.00 0.00 C ATOM 639 C ILE A 43 2.740 0.748 -5.964 1.00 0.00 C ATOM 640 O ILE A 43 1.628 1.251 -5.818 1.00 0.00 O ATOM 641 CB ILE A 43 3.781 -0.061 -3.767 1.00 0.00 C ATOM 642 CG1 ILE A 43 4.865 0.232 -2.727 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.870 -1.492 -4.300 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.599 -0.532 -1.428 1.00 0.00 C ATOM 0 H ILE A 43 2.823 2.581 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 43 4.789 0.794 -5.405 1.00 0.00 H new ATOM 0 HB ILE A 43 2.818 0.036 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.841 -0.048 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.899 1.302 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.832 -2.194 -3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.034 -1.682 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.807 -1.621 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.384 -0.306 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.634 -0.232 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.590 -1.603 -1.631 1.00 0.00 H new ATOM 656 N PRO A 44 3.107 -0.014 -7.029 1.00 0.00 N ATOM 657 CA PRO A 44 2.173 -0.293 -8.106 1.00 0.00 C ATOM 658 C PRO A 44 1.136 -1.333 -7.677 1.00 0.00 C ATOM 659 O PRO A 44 1.491 -2.403 -7.186 1.00 0.00 O ATOM 660 CB PRO A 44 3.038 -0.761 -9.265 1.00 0.00 C ATOM 661 CG PRO A 44 4.369 -1.169 -8.654 1.00 0.00 C ATOM 662 CD PRO A 44 4.416 -0.626 -7.236 1.00 0.00 C ATOM 0 HA PRO A 44 1.586 0.580 -8.391 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.574 -1.599 -9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.172 0.034 -9.998 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.471 -2.254 -8.651 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.197 -0.773 -9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.600 -1.421 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.217 0.104 -7.118 1.00 0.00 H new ATOM 670 N ILE A 45 -0.125 -0.981 -7.877 1.00 0.00 N ATOM 671 CA ILE A 45 -1.217 -1.870 -7.517 1.00 0.00 C ATOM 672 C ILE A 45 -0.929 -3.270 -8.062 1.00 0.00 C ATOM 673 O ILE A 45 -0.886 -4.239 -7.305 1.00 0.00 O ATOM 674 CB ILE A 45 -2.555 -1.292 -7.981 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.729 0.148 -7.492 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.718 -2.188 -7.552 1.00 0.00 C ATOM 677 CD1 ILE A 45 -4.187 0.595 -7.614 1.00 0.00 C ATOM 0 H ILE A 45 -0.416 -0.092 -8.284 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.294 -1.959 -6.433 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.556 -1.264 -9.071 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.407 0.225 -6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.091 0.813 -8.074 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.657 -1.754 -7.895 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.595 -3.179 -7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.732 -2.271 -6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.284 1.621 -7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.498 0.540 -8.657 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.819 -0.057 -7.012 1.00 0.00 H new ATOM 689 N HIS A 46 -0.741 -3.333 -9.372 1.00 0.00 N ATOM 690 CA HIS A 46 -0.459 -4.598 -10.028 1.00 0.00 C ATOM 691 C HIS A 46 0.503 -5.419 -9.168 1.00 0.00 C ATOM 692 O HIS A 46 0.481 -6.649 -9.205 1.00 0.00 O ATOM 693 CB HIS A 46 0.063 -4.370 -11.448 1.00 0.00 C ATOM 694 CG HIS A 46 0.678 -3.008 -11.665 1.00 0.00 C ATOM 695 ND1 HIS A 46 -0.076 -1.851 -11.758 1.00 0.00 N ATOM 696 CD2 HIS A 46 1.981 -2.631 -11.805 1.00 0.00 C ATOM 697 CE1 HIS A 46 0.747 -0.830 -11.946 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.021 -1.315 -11.975 1.00 0.00 N ATOM 0 H HIS A 46 -0.779 -2.528 -9.997 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.380 -5.171 -10.130 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.806 -5.134 -11.678 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.759 -4.503 -12.152 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.835 -3.291 -11.782 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.459 0.205 -12.057 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.866 -0.758 -12.106 1.00 0.00 H new ATOM 706 N ASN A 47 1.326 -4.707 -8.412 1.00 0.00 N ATOM 707 CA ASN A 47 2.294 -5.354 -7.543 1.00 0.00 C ATOM 708 C ASN A 47 1.698 -5.499 -6.142 1.00 0.00 C ATOM 709 O ASN A 47 1.795 -6.561 -5.529 1.00 0.00 O ATOM 710 CB ASN A 47 3.574 -4.523 -7.430 1.00 0.00 C ATOM 711 CG ASN A 47 4.463 -4.713 -8.660 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.048 -5.233 -9.683 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.705 -4.265 -8.505 1.00 0.00 N ATOM 0 H ASN A 47 1.342 -3.688 -8.383 1.00 0.00 H new ATOM 0 HA ASN A 47 2.533 -6.328 -7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.319 -3.469 -7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.122 -4.813 -6.533 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.376 -4.346 -9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.987 -3.840 -7.622 1.00 0.00 H new ATOM 720 N GLN A 48 1.095 -4.416 -5.674 1.00 0.00 N ATOM 721 CA GLN A 48 0.484 -4.409 -4.356 1.00 0.00 C ATOM 722 C GLN A 48 -0.424 -5.629 -4.186 1.00 0.00 C ATOM 723 O GLN A 48 -1.107 -6.034 -5.125 1.00 0.00 O ATOM 724 CB GLN A 48 -0.290 -3.111 -4.117 1.00 0.00 C ATOM 725 CG GLN A 48 0.626 -1.894 -4.251 1.00 0.00 C ATOM 726 CD GLN A 48 0.099 -0.718 -3.426 1.00 0.00 C ATOM 727 OE1 GLN A 48 0.776 -0.173 -2.570 1.00 0.00 O ATOM 728 NE2 GLN A 48 -1.144 -0.358 -3.731 1.00 0.00 N ATOM 0 H GLN A 48 1.017 -3.537 -6.185 1.00 0.00 H new ATOM 0 HA GLN A 48 1.276 -4.463 -3.609 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.109 -3.035 -4.832 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.736 -3.127 -3.123 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.632 -2.153 -3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.700 -1.604 -5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.655 -0.857 -4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.586 0.417 -3.237 1.00 0.00 H new ATOM 737 N THR A 49 -0.402 -6.180 -2.982 1.00 0.00 N ATOM 738 CA THR A 49 -1.215 -7.345 -2.677 1.00 0.00 C ATOM 739 C THR A 49 -1.921 -7.165 -1.331 1.00 0.00 C ATOM 740 O THR A 49 -1.295 -7.273 -0.278 1.00 0.00 O ATOM 741 CB THR A 49 -0.311 -8.579 -2.729 1.00 0.00 C ATOM 742 OG1 THR A 49 0.294 -8.512 -4.017 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.106 -9.886 -2.758 1.00 0.00 C ATOM 0 H THR A 49 0.166 -5.841 -2.206 1.00 0.00 H new ATOM 0 HA THR A 49 -2.010 -7.476 -3.411 1.00 0.00 H new ATOM 0 HB THR A 49 0.355 -8.578 -1.866 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.189 -8.122 -3.938 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.417 -10.730 -2.795 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.721 -9.958 -1.861 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.747 -9.902 -3.639 1.00 0.00 H new ATOM 751 N LEU A 50 -3.215 -6.894 -1.410 1.00 0.00 N ATOM 752 CA LEU A 50 -4.014 -6.698 -0.212 1.00 0.00 C ATOM 753 C LEU A 50 -4.581 -8.044 0.243 1.00 0.00 C ATOM 754 O LEU A 50 -5.177 -8.771 -0.550 1.00 0.00 O ATOM 755 CB LEU A 50 -5.082 -5.629 -0.449 1.00 0.00 C ATOM 756 CG LEU A 50 -4.641 -4.180 -0.231 1.00 0.00 C ATOM 757 CD1 LEU A 50 -3.818 -4.044 1.051 1.00 0.00 C ATOM 758 CD2 LEU A 50 -3.890 -3.646 -1.453 1.00 0.00 C ATOM 0 H LEU A 50 -3.731 -6.805 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.394 -6.321 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.445 -5.727 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.926 -5.834 0.210 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.533 -3.567 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.517 -3.004 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.419 -4.358 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.930 -4.672 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.588 -2.614 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.006 -4.257 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.541 -3.685 -2.326 1.00 0.00 H new ATOM 770 N SER A 51 -4.376 -8.336 1.519 1.00 0.00 N ATOM 771 CA SER A 51 -4.859 -9.581 2.090 1.00 0.00 C ATOM 772 C SER A 51 -4.877 -9.486 3.617 1.00 0.00 C ATOM 773 O SER A 51 -3.930 -8.986 4.222 1.00 0.00 O ATOM 774 CB SER A 51 -3.997 -10.764 1.642 1.00 0.00 C ATOM 775 OG SER A 51 -4.674 -12.008 1.799 1.00 0.00 O ATOM 0 H SER A 51 -3.881 -7.731 2.174 1.00 0.00 H new ATOM 0 HA SER A 51 -5.874 -9.749 1.731 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.717 -10.633 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.073 -10.779 2.220 1.00 0.00 H new ATOM 0 HG SER A 51 -4.037 -12.744 1.684 1.00 0.00 H new ATOM 781 N THR A 52 -5.965 -9.973 4.195 1.00 0.00 N ATOM 782 CA THR A 52 -6.119 -9.949 5.640 1.00 0.00 C ATOM 783 C THR A 52 -5.533 -11.219 6.260 1.00 0.00 C ATOM 784 O THR A 52 -6.045 -11.718 7.261 1.00 0.00 O ATOM 785 CB THR A 52 -7.603 -9.748 5.954 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.181 -11.032 5.737 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.301 -8.847 4.933 1.00 0.00 C ATOM 0 H THR A 52 -6.748 -10.386 3.689 1.00 0.00 H new ATOM 0 HA THR A 52 -5.563 -9.123 6.083 1.00 0.00 H new ATOM 0 HB THR A 52 -7.708 -9.317 6.950 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.143 -10.993 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.351 -8.737 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.824 -7.867 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.226 -9.294 3.942 1.00 0.00 H new ATOM 795 N ASN A 53 -4.468 -11.704 5.640 1.00 0.00 N ATOM 796 CA ASN A 53 -3.807 -12.907 6.118 1.00 0.00 C ATOM 797 C ASN A 53 -2.309 -12.634 6.269 1.00 0.00 C ATOM 798 O ASN A 53 -1.612 -12.413 5.280 1.00 0.00 O ATOM 799 CB ASN A 53 -3.980 -14.061 5.130 1.00 0.00 C ATOM 800 CG ASN A 53 -3.779 -15.411 5.822 1.00 0.00 C ATOM 801 OD1 ASN A 53 -2.969 -15.562 6.721 1.00 0.00 O ATOM 802 ND2 ASN A 53 -4.561 -16.380 5.354 1.00 0.00 N ATOM 0 H ASN A 53 -4.046 -11.286 4.811 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.255 -13.181 7.073 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.975 -14.020 4.688 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.264 -13.956 4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.504 -17.318 5.751 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.218 -16.185 4.599 1.00 0.00 H new ATOM 809 N ARG A 54 -1.857 -12.660 7.514 1.00 0.00 N ATOM 810 CA ARG A 54 -0.455 -12.418 7.807 1.00 0.00 C ATOM 811 C ARG A 54 0.428 -13.375 7.003 1.00 0.00 C ATOM 812 O ARG A 54 1.622 -13.130 6.834 1.00 0.00 O ATOM 813 CB ARG A 54 -0.164 -12.599 9.298 1.00 0.00 C ATOM 814 CG ARG A 54 -0.275 -14.070 9.704 1.00 0.00 C ATOM 815 CD ARG A 54 -1.494 -14.301 10.600 1.00 0.00 C ATOM 816 NE ARG A 54 -1.194 -13.867 11.983 1.00 0.00 N ATOM 817 CZ ARG A 54 -2.107 -13.794 12.962 1.00 0.00 C ATOM 818 NH1 ARG A 54 -3.381 -14.126 12.716 1.00 0.00 N ATOM 819 NH2 ARG A 54 -1.744 -13.388 14.187 1.00 0.00 N ATOM 0 H ARG A 54 -2.438 -12.845 8.332 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.231 -11.389 7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.836 -12.230 9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.864 -12.003 9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.351 -14.692 8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.630 -14.375 10.229 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.350 -13.747 10.214 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.767 -15.356 10.592 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.233 -13.607 12.205 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.657 -14.434 11.784 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.075 -14.070 13.461 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.774 -13.135 14.374 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.438 -13.332 14.932 1.00 0.00 H new ATOM 833 N ASN A 55 -0.194 -14.444 6.527 1.00 0.00 N ATOM 834 CA ASN A 55 0.520 -15.438 5.745 1.00 0.00 C ATOM 835 C ASN A 55 0.987 -14.808 4.431 1.00 0.00 C ATOM 836 O ASN A 55 1.787 -15.397 3.706 1.00 0.00 O ATOM 837 CB ASN A 55 -0.384 -16.625 5.405 1.00 0.00 C ATOM 838 CG ASN A 55 -0.684 -17.460 6.651 1.00 0.00 C ATOM 839 OD1 ASN A 55 -1.946 -17.872 6.735 1.00 0.00 O flip ATOM 840 ND2 ASN A 55 0.173 -17.714 7.481 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.184 -14.643 6.668 1.00 0.00 H new ATOM 0 HA ASN A 55 1.367 -15.787 6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.317 -16.264 4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.097 -17.249 4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.124 -17.366 7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.061 -18.274 8.301 1.00 0.00 H new ATOM 847 N LEU A 56 0.468 -13.619 4.165 1.00 0.00 N ATOM 848 CA LEU A 56 0.821 -12.902 2.951 1.00 0.00 C ATOM 849 C LEU A 56 2.328 -12.635 2.943 1.00 0.00 C ATOM 850 O LEU A 56 2.999 -12.878 1.941 1.00 0.00 O ATOM 851 CB LEU A 56 -0.029 -11.638 2.808 1.00 0.00 C ATOM 852 CG LEU A 56 -0.146 -11.065 1.395 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.918 -12.017 0.480 1.00 0.00 C ATOM 854 CD2 LEU A 56 -0.766 -9.666 1.420 1.00 0.00 C ATOM 0 H LEU A 56 -0.195 -13.133 4.769 1.00 0.00 H new ATOM 0 HA LEU A 56 0.599 -13.507 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.032 -11.855 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.388 -10.868 3.457 1.00 0.00 H new ATOM 0 HG LEU A 56 0.858 -10.965 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.987 -11.586 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.397 -12.973 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.921 -12.171 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.838 -9.282 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.762 -9.717 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.140 -9.001 2.016 1.00 0.00 H new ATOM 866 N LEU A 57 2.815 -12.138 4.070 1.00 0.00 N ATOM 867 CA LEU A 57 4.229 -11.835 4.205 1.00 0.00 C ATOM 868 C LEU A 57 5.047 -13.087 3.884 1.00 0.00 C ATOM 869 O LEU A 57 6.180 -12.989 3.414 1.00 0.00 O ATOM 870 CB LEU A 57 4.522 -11.246 5.587 1.00 0.00 C ATOM 871 CG LEU A 57 4.160 -9.772 5.778 1.00 0.00 C ATOM 872 CD1 LEU A 57 2.652 -9.555 5.637 1.00 0.00 C ATOM 873 CD2 LEU A 57 4.692 -9.246 7.112 1.00 0.00 C ATOM 0 H LEU A 57 2.255 -11.937 4.899 1.00 0.00 H new ATOM 0 HA LEU A 57 4.524 -11.068 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.983 -11.832 6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.585 -11.368 5.794 1.00 0.00 H new ATOM 0 HG LEU A 57 4.643 -9.196 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.422 -8.499 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.331 -9.868 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.128 -10.144 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.421 -8.196 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.257 -9.821 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.777 -9.345 7.135 1.00 0.00 H new ATOM 885 N LEU A 58 4.442 -14.235 4.151 1.00 0.00 N ATOM 886 CA LEU A 58 5.101 -15.505 3.897 1.00 0.00 C ATOM 887 C LEU A 58 5.248 -15.705 2.387 1.00 0.00 C ATOM 888 O LEU A 58 6.331 -16.033 1.903 1.00 0.00 O ATOM 889 CB LEU A 58 4.358 -16.644 4.598 1.00 0.00 C ATOM 890 CG LEU A 58 4.056 -16.434 6.083 1.00 0.00 C ATOM 891 CD1 LEU A 58 3.421 -17.684 6.695 1.00 0.00 C ATOM 892 CD2 LEU A 58 5.313 -16.000 6.841 1.00 0.00 C ATOM 0 H LEU A 58 3.503 -14.312 4.541 1.00 0.00 H new ATOM 0 HA LEU A 58 6.106 -15.504 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.416 -16.812 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.947 -17.555 4.493 1.00 0.00 H new ATOM 0 HG LEU A 58 3.330 -15.626 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.216 -17.508 7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.489 -17.909 6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.105 -18.527 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.072 -15.857 7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.079 -16.769 6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.684 -15.064 6.424 1.00 0.00 H new ATOM 904 N ALA A 59 4.144 -15.498 1.684 1.00 0.00 N ATOM 905 CA ALA A 59 4.137 -15.651 0.239 1.00 0.00 C ATOM 906 C ALA A 59 5.378 -14.975 -0.347 1.00 0.00 C ATOM 907 O ALA A 59 5.562 -13.768 -0.195 1.00 0.00 O ATOM 908 CB ALA A 59 2.837 -15.078 -0.329 1.00 0.00 C ATOM 0 H ALA A 59 3.248 -15.226 2.088 1.00 0.00 H new ATOM 0 HA ALA A 59 4.175 -16.705 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.832 -15.193 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.987 -15.612 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.764 -14.020 -0.076 1.00 0.00 H new ATOM 914 N LYS A 60 6.198 -15.782 -1.005 1.00 0.00 N ATOM 915 CA LYS A 60 7.416 -15.277 -1.614 1.00 0.00 C ATOM 916 C LYS A 60 7.286 -15.348 -3.137 1.00 0.00 C ATOM 917 O LYS A 60 7.972 -14.624 -3.857 1.00 0.00 O ATOM 918 CB LYS A 60 8.637 -16.018 -1.066 1.00 0.00 C ATOM 919 CG LYS A 60 9.154 -15.353 0.211 1.00 0.00 C ATOM 920 CD LYS A 60 10.117 -14.210 -0.118 1.00 0.00 C ATOM 921 CE LYS A 60 11.562 -14.605 0.191 1.00 0.00 C ATOM 922 NZ LYS A 60 12.431 -14.351 -0.979 1.00 0.00 N ATOM 0 H LYS A 60 6.042 -16.782 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 60 7.566 -14.229 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.375 -17.056 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.426 -16.032 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.315 -14.970 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.660 -16.093 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.026 -13.945 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.847 -13.325 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.924 -14.039 1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.607 -15.660 0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.408 -14.625 -0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.095 -14.910 -1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.402 -13.340 -1.220 1.00 0.00 H new ATOM 936 N SER A 61 6.401 -16.227 -3.583 1.00 0.00 N ATOM 937 CA SER A 61 6.172 -16.402 -5.008 1.00 0.00 C ATOM 938 C SER A 61 4.831 -15.781 -5.403 1.00 0.00 C ATOM 939 O SER A 61 4.091 -15.298 -4.547 1.00 0.00 O ATOM 940 CB SER A 61 6.206 -17.882 -5.393 1.00 0.00 C ATOM 941 OG SER A 61 7.264 -18.173 -6.301 1.00 0.00 O ATOM 0 H SER A 61 5.834 -16.826 -2.983 1.00 0.00 H new ATOM 0 HA SER A 61 6.972 -15.895 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.323 -18.488 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.254 -18.161 -5.844 1.00 0.00 H new ATOM 0 HG SER A 61 7.253 -19.128 -6.521 1.00 0.00 H new ATOM 947 N PRO A 62 4.552 -15.814 -6.733 1.00 0.00 N ATOM 948 CA PRO A 62 3.313 -15.260 -7.252 1.00 0.00 C ATOM 949 C PRO A 62 2.130 -16.181 -6.945 1.00 0.00 C ATOM 950 O PRO A 62 1.106 -15.732 -6.432 1.00 0.00 O ATOM 951 CB PRO A 62 3.555 -15.081 -8.742 1.00 0.00 C ATOM 952 CG PRO A 62 4.743 -15.967 -9.080 1.00 0.00 C ATOM 953 CD PRO A 62 5.405 -16.378 -7.775 1.00 0.00 C ATOM 0 HA PRO A 62 3.051 -14.309 -6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.676 -15.370 -9.318 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.765 -14.038 -8.981 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.417 -16.846 -9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.450 -15.432 -9.714 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.471 -17.463 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.422 -15.991 -7.707 1.00 0.00 H new ATOM 961 N SER A 63 2.310 -17.452 -7.273 1.00 0.00 N ATOM 962 CA SER A 63 1.270 -18.439 -7.039 1.00 0.00 C ATOM 963 C SER A 63 0.754 -18.326 -5.603 1.00 0.00 C ATOM 964 O SER A 63 -0.439 -18.491 -5.354 1.00 0.00 O ATOM 965 CB SER A 63 1.785 -19.855 -7.308 1.00 0.00 C ATOM 966 OG SER A 63 1.164 -20.441 -8.449 1.00 0.00 O ATOM 0 H SER A 63 3.160 -17.821 -7.699 1.00 0.00 H new ATOM 0 HA SER A 63 0.450 -18.242 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.864 -19.826 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.601 -20.480 -6.434 1.00 0.00 H new ATOM 0 HG SER A 63 1.521 -21.343 -8.588 1.00 0.00 H new ATOM 972 N ASP A 64 1.679 -18.045 -4.697 1.00 0.00 N ATOM 973 CA ASP A 64 1.332 -17.908 -3.293 1.00 0.00 C ATOM 974 C ASP A 64 0.315 -16.777 -3.131 1.00 0.00 C ATOM 975 O ASP A 64 -0.755 -16.976 -2.557 1.00 0.00 O ATOM 976 CB ASP A 64 2.563 -17.560 -2.453 1.00 0.00 C ATOM 977 CG ASP A 64 2.649 -18.276 -1.104 1.00 0.00 C ATOM 978 OD1 ASP A 64 1.600 -18.338 -0.426 1.00 0.00 O ATOM 979 OD2 ASP A 64 3.761 -18.746 -0.780 1.00 0.00 O ATOM 0 H ASP A 64 2.668 -17.909 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 64 0.920 -18.858 -2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.457 -17.796 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.572 -16.484 -2.278 1.00 0.00 H new ATOM 984 N PHE A 65 0.684 -15.613 -3.647 1.00 0.00 N ATOM 985 CA PHE A 65 -0.183 -14.450 -3.567 1.00 0.00 C ATOM 986 C PHE A 65 -1.500 -14.697 -4.305 1.00 0.00 C ATOM 987 O PHE A 65 -2.504 -14.044 -4.024 1.00 0.00 O ATOM 988 CB PHE A 65 0.557 -13.293 -4.242 1.00 0.00 C ATOM 989 CG PHE A 65 1.766 -12.784 -3.454 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.646 -12.507 -2.128 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.960 -12.607 -4.080 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.767 -12.034 -1.397 1.00 0.00 C ATOM 993 CE2 PHE A 65 4.082 -12.134 -3.349 1.00 0.00 C ATOM 994 CZ PHE A 65 3.962 -11.858 -2.022 1.00 0.00 C ATOM 0 H PHE A 65 1.572 -15.451 -4.122 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.417 -14.231 -2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.889 -13.614 -5.229 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.139 -12.468 -4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.697 -12.647 -1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.055 -12.826 -5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.671 -11.814 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.030 -11.993 -3.846 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.815 -11.499 -1.465 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.454 -15.640 -5.233 1.00 0.00 N ATOM 1005 CA LEU A 66 -2.631 -15.981 -6.014 1.00 0.00 C ATOM 1006 C LEU A 66 -3.639 -16.706 -5.118 1.00 0.00 C ATOM 1007 O LEU A 66 -4.770 -16.960 -5.530 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.236 -16.773 -7.262 1.00 0.00 C ATOM 1009 CG LEU A 66 -1.413 -16.014 -8.305 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -0.809 -16.975 -9.331 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.247 -14.917 -8.968 1.00 0.00 C ATOM 0 H LEU A 66 -0.619 -16.180 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.120 -15.078 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.669 -17.649 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.145 -17.137 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.583 -15.524 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.229 -16.410 -10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.159 -17.687 -8.823 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.609 -17.513 -9.841 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.639 -14.393 -9.705 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.110 -15.364 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.588 -14.211 -8.211 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.191 -17.018 -3.911 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.040 -17.709 -2.954 1.00 0.00 C ATOM 1025 C ALA A 67 -4.932 -16.690 -2.242 1.00 0.00 C ATOM 1026 O ALA A 67 -6.021 -17.029 -1.781 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.168 -18.503 -1.979 1.00 0.00 C ATOM 0 H ALA A 67 -2.252 -16.806 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.692 -18.420 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.804 -19.021 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.576 -19.232 -2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.502 -17.822 -1.449 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.437 -15.463 -2.174 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.176 -14.393 -1.526 1.00 0.00 C ATOM 1035 C PHE A 68 -5.889 -13.516 -2.557 1.00 0.00 C ATOM 1036 O PHE A 68 -5.245 -12.907 -3.411 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.156 -13.541 -0.767 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.349 -14.317 0.276 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -3.931 -14.687 1.448 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -2.051 -14.639 0.030 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -3.182 -15.407 2.416 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -1.302 -15.360 0.997 1.00 0.00 C ATOM 1043 CZ PHE A 68 -1.884 -15.729 2.170 1.00 0.00 C ATOM 0 H PHE A 68 -3.533 -15.186 -2.557 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.931 -14.812 -0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.468 -13.092 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.679 -12.723 -0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.963 -14.433 1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.590 -14.346 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.643 -15.699 3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.271 -15.615 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.315 -16.278 2.906 1.00 0.00 H new ATOM 1053 N THR A 69 -7.208 -13.479 -2.444 1.00 0.00 N ATOM 1054 CA THR A 69 -8.016 -12.686 -3.356 1.00 0.00 C ATOM 1055 C THR A 69 -9.277 -12.182 -2.651 1.00 0.00 C ATOM 1056 O THR A 69 -10.382 -12.321 -3.174 1.00 0.00 O ATOM 1057 CB THR A 69 -8.310 -13.540 -4.591 1.00 0.00 C ATOM 1058 OG1 THR A 69 -8.983 -14.683 -4.070 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.039 -14.112 -5.223 1.00 0.00 C ATOM 0 H THR A 69 -7.738 -13.985 -1.735 1.00 0.00 H new ATOM 0 HA THR A 69 -7.484 -11.792 -3.680 1.00 0.00 H new ATOM 0 HB THR A 69 -8.844 -12.941 -5.328 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.213 -15.290 -4.804 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.304 -14.710 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.385 -13.295 -5.528 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.522 -14.739 -4.497 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.069 -11.608 -1.475 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.176 -11.083 -0.694 1.00 0.00 C ATOM 1069 C ASP A 70 -10.428 -9.626 -1.089 1.00 0.00 C ATOM 1070 O ASP A 70 -11.568 -9.165 -1.080 1.00 0.00 O ATOM 1071 CB ASP A 70 -9.859 -11.118 0.803 1.00 0.00 C ATOM 1072 CG ASP A 70 -9.317 -12.453 1.318 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -8.102 -12.681 1.133 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -10.130 -13.214 1.884 1.00 0.00 O ATOM 0 H ASP A 70 -8.151 -11.495 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.052 -11.701 -0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.130 -10.338 1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.765 -10.873 1.357 1.00 0.00 H new ATOM 1079 N MET A 71 -9.345 -8.942 -1.428 1.00 0.00 N ATOM 1080 CA MET A 71 -9.435 -7.548 -1.826 1.00 0.00 C ATOM 1081 C MET A 71 -8.888 -7.345 -3.241 1.00 0.00 C ATOM 1082 O MET A 71 -8.097 -6.435 -3.480 1.00 0.00 O ATOM 1083 CB MET A 71 -8.641 -6.684 -0.844 1.00 0.00 C ATOM 1084 CG MET A 71 -9.156 -6.866 0.586 1.00 0.00 C ATOM 1085 SD MET A 71 -7.966 -6.222 1.750 1.00 0.00 S ATOM 1086 CE MET A 71 -7.761 -4.572 1.102 1.00 0.00 C ATOM 0 H MET A 71 -8.401 -9.328 -1.435 1.00 0.00 H new ATOM 0 HA MET A 71 -10.485 -7.254 -1.816 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.585 -6.950 -0.891 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.718 -5.635 -1.132 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.110 -6.352 0.706 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.336 -7.922 0.785 1.00 0.00 H new ATOM 0 HE1 MET A 71 -7.031 -4.032 1.705 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.411 -4.627 0.071 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.716 -4.048 1.133 1.00 0.00 H new ATOM 1096 N ALA A 72 -9.331 -8.210 -4.141 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.896 -8.138 -5.526 1.00 0.00 C ATOM 1098 C ALA A 72 -9.839 -7.218 -6.305 1.00 0.00 C ATOM 1099 O ALA A 72 -9.411 -6.513 -7.217 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.837 -9.548 -6.117 1.00 0.00 C ATOM 0 H ALA A 72 -9.987 -8.965 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.894 -7.715 -5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.511 -9.494 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.132 -10.153 -5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.826 -10.004 -6.071 1.00 0.00 H new ATOM 1106 N ASP A 73 -11.105 -7.256 -5.916 1.00 0.00 N ATOM 1107 CA ASP A 73 -12.113 -6.435 -6.567 1.00 0.00 C ATOM 1108 C ASP A 73 -11.892 -4.969 -6.188 1.00 0.00 C ATOM 1109 O ASP A 73 -11.936 -4.615 -5.011 1.00 0.00 O ATOM 1110 CB ASP A 73 -13.520 -6.832 -6.118 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.652 -6.011 -6.739 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -14.583 -5.787 -7.967 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.561 -5.626 -5.972 1.00 0.00 O ATOM 0 H ASP A 73 -11.456 -7.842 -5.159 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.023 -6.581 -7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.679 -7.883 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.578 -6.741 -5.033 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.652 -4.135 -7.235 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.424 -2.716 -7.024 1.00 0.00 C ATOM 1120 C PRO A 74 -12.733 -1.992 -6.702 1.00 0.00 C ATOM 1121 O PRO A 74 -12.720 -0.885 -6.167 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.776 -2.226 -8.309 1.00 0.00 C ATOM 1123 CG PRO A 74 -11.087 -3.279 -9.360 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.592 -4.519 -8.642 1.00 0.00 C ATOM 0 HA PRO A 74 -10.780 -2.517 -6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.173 -1.254 -8.601 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.700 -2.106 -8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.838 -2.910 -10.059 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.196 -3.512 -9.943 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.572 -4.819 -9.012 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.921 -5.365 -8.793 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.834 -2.647 -7.042 1.00 0.00 N ATOM 1133 CA ASN A 75 -15.149 -2.080 -6.796 1.00 0.00 C ATOM 1134 C ASN A 75 -15.643 -2.528 -5.419 1.00 0.00 C ATOM 1135 O ASN A 75 -16.713 -2.115 -4.976 1.00 0.00 O ATOM 1136 CB ASN A 75 -16.159 -2.559 -7.840 1.00 0.00 C ATOM 1137 CG ASN A 75 -16.178 -1.627 -9.053 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -16.771 -0.561 -9.040 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.499 -2.087 -10.100 1.00 0.00 N ATOM 0 H ASN A 75 -13.842 -3.565 -7.486 1.00 0.00 H new ATOM 0 HA ASN A 75 -15.064 -0.995 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.906 -3.570 -8.158 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -17.153 -2.604 -7.396 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.453 -1.538 -10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -15.025 -2.988 -10.044 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.840 -3.367 -4.782 1.00 0.00 N ATOM 1147 CA LEU A 76 -15.182 -3.876 -3.465 1.00 0.00 C ATOM 1148 C LEU A 76 -14.837 -2.822 -2.410 1.00 0.00 C ATOM 1149 O LEU A 76 -13.780 -2.197 -2.476 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.513 -5.230 -3.222 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.536 -5.742 -1.781 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -15.371 -7.018 -1.665 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -13.116 -5.935 -1.245 1.00 0.00 C ATOM 0 H LEU A 76 -13.953 -3.707 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.254 -4.060 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.998 -5.971 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.474 -5.163 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 76 -15.015 -4.987 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.370 -7.360 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.395 -6.813 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.944 -7.792 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.161 -6.300 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.589 -6.660 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.586 -4.983 -1.269 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.749 -2.658 -1.463 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.554 -1.691 -0.396 1.00 0.00 C ATOM 1167 C ARG A 77 -14.918 -2.365 0.821 1.00 0.00 C ATOM 1168 O ARG A 77 -15.184 -3.533 1.098 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.882 -1.053 0.018 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.674 -0.592 -1.207 1.00 0.00 C ATOM 1171 CD ARG A 77 -18.697 -1.649 -1.628 1.00 0.00 C ATOM 1172 NE ARG A 77 -20.070 -1.142 -1.405 1.00 0.00 N ATOM 1173 CZ ARG A 77 -21.179 -1.871 -1.590 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -21.084 -3.143 -2.001 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -22.383 -1.328 -1.363 1.00 0.00 N ATOM 0 H ARG A 77 -16.625 -3.178 -1.412 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.891 -0.911 -0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.472 -1.770 0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.693 -0.203 0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.185 0.345 -0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.991 -0.393 -2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.560 -1.901 -2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.542 -2.565 -1.058 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.179 -0.178 -1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -20.167 -3.556 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.928 -3.698 -2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -22.455 -0.360 -1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -23.227 -1.883 -1.504 1.00 0.00 H new ATOM 1189 N ILE A 78 -14.090 -1.598 1.516 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.413 -2.106 2.697 1.00 0.00 C ATOM 1191 C ILE A 78 -14.455 -2.593 3.707 1.00 0.00 C ATOM 1192 O ILE A 78 -14.178 -3.480 4.512 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.456 -1.054 3.260 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -13.224 0.156 3.795 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.408 -0.654 2.220 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.382 0.937 4.806 1.00 0.00 C ATOM 0 H ILE A 78 -13.873 -0.629 1.284 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.792 -2.964 2.440 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.922 -1.494 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.503 0.809 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.149 -0.175 4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.740 0.095 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.831 -1.532 1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.905 -0.240 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.952 1.792 5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.125 0.288 5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.469 1.288 4.325 1.00 0.00 H new ATOM 1208 N SER A 79 -15.633 -1.990 3.631 1.00 0.00 N ATOM 1209 CA SER A 79 -16.717 -2.350 4.528 1.00 0.00 C ATOM 1210 C SER A 79 -16.941 -3.863 4.496 1.00 0.00 C ATOM 1211 O SER A 79 -17.340 -4.456 5.497 1.00 0.00 O ATOM 1212 CB SER A 79 -18.007 -1.615 4.156 1.00 0.00 C ATOM 1213 OG SER A 79 -18.732 -2.292 3.134 1.00 0.00 O ATOM 0 H SER A 79 -15.860 -1.254 2.962 1.00 0.00 H new ATOM 0 HA SER A 79 -16.439 -2.051 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.636 -1.516 5.041 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.766 -0.606 3.821 1.00 0.00 H new ATOM 0 HG SER A 79 -19.549 -1.792 2.927 1.00 0.00 H new ATOM 1219 N SER A 80 -16.676 -4.445 3.335 1.00 0.00 N ATOM 1220 CA SER A 80 -16.844 -5.877 3.160 1.00 0.00 C ATOM 1221 C SER A 80 -16.040 -6.632 4.221 1.00 0.00 C ATOM 1222 O SER A 80 -16.513 -7.622 4.776 1.00 0.00 O ATOM 1223 CB SER A 80 -16.415 -6.315 1.758 1.00 0.00 C ATOM 1224 OG SER A 80 -16.841 -7.641 1.460 1.00 0.00 O ATOM 0 H SER A 80 -16.346 -3.950 2.506 1.00 0.00 H new ATOM 0 HA SER A 80 -17.901 -6.114 3.278 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.829 -5.627 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.330 -6.256 1.676 1.00 0.00 H new ATOM 0 HG SER A 80 -17.294 -7.652 0.591 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.837 -6.135 4.471 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.963 -6.749 5.455 1.00 0.00 C ATOM 1232 C LEU A 81 -14.165 -6.065 6.808 1.00 0.00 C ATOM 1233 O LEU A 81 -13.914 -6.663 7.854 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.512 -6.733 4.968 1.00 0.00 C ATOM 1235 CG LEU A 81 -12.314 -6.758 3.451 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.855 -6.481 3.084 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.814 -8.075 2.854 1.00 0.00 C ATOM 0 H LEU A 81 -14.447 -5.314 4.008 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.219 -7.800 5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.027 -5.841 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.996 -7.593 5.396 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.914 -5.959 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.742 -6.505 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.566 -5.499 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.216 -7.242 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.661 -8.066 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.261 -8.906 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.876 -8.192 3.069 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.615 -4.821 6.745 1.00 0.00 N ATOM 1250 CA ASN A 82 -14.854 -4.049 7.953 1.00 0.00 C ATOM 1251 C ASN A 82 -13.523 -3.502 8.474 1.00 0.00 C ATOM 1252 O ASN A 82 -13.146 -3.760 9.616 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.469 -4.919 9.050 1.00 0.00 C ATOM 1254 CG ASN A 82 -16.222 -4.063 10.071 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -16.925 -3.125 9.735 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -16.035 -4.438 11.333 1.00 0.00 N ATOM 0 H ASN A 82 -14.821 -4.328 5.876 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.542 -3.240 7.706 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.150 -5.644 8.605 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.685 -5.485 9.553 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.494 -3.930 12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.433 -5.234 11.545 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.849 -2.755 7.612 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.569 -2.169 7.971 1.00 0.00 C ATOM 1265 C LEU A 83 -11.797 -0.775 8.559 1.00 0.00 C ATOM 1266 O LEU A 83 -12.119 0.163 7.832 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.618 -2.183 6.772 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.312 -3.557 6.174 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.360 -3.437 4.982 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -9.776 -4.513 7.241 1.00 0.00 C ATOM 0 H LEU A 83 -13.165 -2.542 6.666 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.081 -2.764 8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.043 -1.555 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.677 -1.723 7.074 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.244 -3.981 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.159 -4.428 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.817 -2.815 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.425 -2.982 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.567 -5.482 6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.859 -4.106 7.667 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.520 -4.633 8.029 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.622 -0.685 9.869 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.806 0.579 10.563 1.00 0.00 C ATOM 1284 C ALA A 84 -10.453 1.073 11.079 1.00 0.00 C ATOM 1285 O ALA A 84 -9.444 0.382 10.947 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.829 0.401 11.686 1.00 0.00 C ATOM 0 H ALA A 84 -11.355 -1.466 10.468 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.197 1.337 9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.967 1.349 12.206 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.780 0.077 11.264 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.470 -0.350 12.390 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.476 2.265 11.657 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.264 2.860 12.194 1.00 0.00 C ATOM 1294 C HIS A 85 -8.684 1.952 13.280 1.00 0.00 C ATOM 1295 O HIS A 85 -9.317 1.729 14.311 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.531 4.282 12.691 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.292 5.018 13.142 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.136 6.385 12.994 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.152 4.563 13.738 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -6.953 6.727 13.483 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.344 5.596 13.942 1.00 0.00 N ATOM 0 H HIS A 85 -11.315 2.835 11.765 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.517 2.947 11.405 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.009 4.851 11.893 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.238 4.239 13.520 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.943 3.536 13.999 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.543 7.726 13.513 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.420 5.551 14.371 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.487 1.452 13.012 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.815 0.573 13.953 1.00 0.00 C ATOM 1311 C GLY A 86 -6.766 -0.862 13.424 1.00 0.00 C ATOM 1312 O GLY A 86 -5.942 -1.662 13.866 1.00 0.00 O ATOM 0 H GLY A 86 -6.965 1.639 12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.802 0.933 14.133 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.335 0.594 14.911 1.00 0.00 H new ATOM 1316 N SER A 87 -7.658 -1.144 12.487 1.00 0.00 N ATOM 1317 CA SER A 87 -7.727 -2.469 11.893 1.00 0.00 C ATOM 1318 C SER A 87 -6.345 -2.887 11.386 1.00 0.00 C ATOM 1319 O SER A 87 -5.467 -2.046 11.203 1.00 0.00 O ATOM 1320 CB SER A 87 -8.746 -2.509 10.753 1.00 0.00 C ATOM 1321 OG SER A 87 -10.045 -2.111 11.183 1.00 0.00 O ATOM 0 H SER A 87 -8.340 -0.478 12.124 1.00 0.00 H new ATOM 0 HA SER A 87 -8.053 -3.172 12.660 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.414 -1.854 9.947 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.793 -3.518 10.344 1.00 0.00 H new ATOM 0 HG SER A 87 -10.003 -1.205 11.555 1.00 0.00 H new ATOM 1327 N MET A 88 -6.197 -4.186 11.173 1.00 0.00 N ATOM 1328 CA MET A 88 -4.937 -4.727 10.690 1.00 0.00 C ATOM 1329 C MET A 88 -5.058 -5.181 9.234 1.00 0.00 C ATOM 1330 O MET A 88 -6.105 -5.677 8.819 1.00 0.00 O ATOM 1331 CB MET A 88 -4.522 -5.913 11.563 1.00 0.00 C ATOM 1332 CG MET A 88 -3.137 -6.426 11.167 1.00 0.00 C ATOM 1333 SD MET A 88 -1.898 -5.738 12.252 1.00 0.00 S ATOM 1334 CE MET A 88 -0.770 -5.061 11.045 1.00 0.00 C ATOM 0 H MET A 88 -6.929 -4.880 11.326 1.00 0.00 H new ATOM 0 HA MET A 88 -4.181 -3.943 10.745 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.517 -5.614 12.611 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.253 -6.715 11.464 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.115 -7.514 11.220 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.920 -6.152 10.134 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.222 -5.488 11.194 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.122 -5.302 10.042 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.720 -3.978 11.161 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.972 -4.996 8.498 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.943 -5.381 7.097 1.00 0.00 C ATOM 1346 C VAL A 89 -2.500 -5.681 6.685 1.00 0.00 C ATOM 1347 O VAL A 89 -1.560 -5.145 7.269 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.595 -4.293 6.242 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.654 -4.713 4.772 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -5.987 -3.942 6.769 1.00 0.00 C ATOM 0 H VAL A 89 -3.106 -4.585 8.845 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.522 -6.291 6.939 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.977 -3.398 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.122 -3.922 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.644 -4.889 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.239 -5.628 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.428 -3.166 6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.619 -4.830 6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.907 -3.580 7.794 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.371 -6.538 5.683 1.00 0.00 N ATOM 1361 CA TYR A 90 -1.059 -6.916 5.186 1.00 0.00 C ATOM 1362 C TYR A 90 -0.927 -6.605 3.693 1.00 0.00 C ATOM 1363 O TYR A 90 -1.872 -6.799 2.930 1.00 0.00 O ATOM 1364 CB TYR A 90 -0.950 -8.428 5.391 1.00 0.00 C ATOM 1365 CG TYR A 90 -0.942 -8.858 6.859 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.216 -8.751 7.603 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.092 -9.352 7.440 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.224 -9.156 8.985 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -2.084 -9.756 8.822 1.00 0.00 C ATOM 1370 CZ TYR A 90 -0.926 -9.638 9.526 1.00 0.00 C ATOM 1371 OH TYR A 90 -0.919 -10.020 10.832 1.00 0.00 O ATOM 0 H TYR A 90 -3.153 -6.981 5.202 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.277 -6.365 5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.784 -8.914 4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.037 -8.784 4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.116 -8.364 7.149 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.998 -9.436 6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.123 -9.079 9.578 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.977 -10.144 9.289 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.810 -10.343 11.083 1.00 0.00 H new ATOM 1381 N LEU A 91 0.252 -6.128 3.323 1.00 0.00 N ATOM 1382 CA LEU A 91 0.520 -5.789 1.936 1.00 0.00 C ATOM 1383 C LEU A 91 1.662 -6.662 1.412 1.00 0.00 C ATOM 1384 O LEU A 91 2.501 -7.122 2.186 1.00 0.00 O ATOM 1385 CB LEU A 91 0.777 -4.288 1.792 1.00 0.00 C ATOM 1386 CG LEU A 91 1.335 -3.829 0.443 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.253 -3.863 -0.638 1.00 0.00 C ATOM 1388 CD2 LEU A 91 1.986 -2.450 0.559 1.00 0.00 C ATOM 0 H LEU A 91 1.033 -5.968 3.960 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.352 -6.001 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.159 -3.760 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.473 -3.982 2.573 1.00 0.00 H new ATOM 0 HG LEU A 91 2.115 -4.528 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.676 -3.532 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.124 -4.880 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.565 -3.201 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.374 -2.148 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.245 -1.725 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.804 -2.493 1.278 1.00 0.00 H new ATOM 1400 N ALA A 92 1.658 -6.864 0.103 1.00 0.00 N ATOM 1401 CA ALA A 92 2.683 -7.674 -0.532 1.00 0.00 C ATOM 1402 C ALA A 92 2.854 -7.225 -1.985 1.00 0.00 C ATOM 1403 O ALA A 92 1.890 -7.200 -2.748 1.00 0.00 O ATOM 1404 CB ALA A 92 2.308 -9.153 -0.420 1.00 0.00 C ATOM 0 H ALA A 92 0.961 -6.481 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 92 3.642 -7.542 -0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.077 -9.761 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.227 -9.429 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.352 -9.324 -0.915 1.00 0.00 H new ATOM 1410 N TYR A 93 4.088 -6.881 -2.323 1.00 0.00 N ATOM 1411 CA TYR A 93 4.398 -6.435 -3.671 1.00 0.00 C ATOM 1412 C TYR A 93 5.760 -6.963 -4.124 1.00 0.00 C ATOM 1413 O TYR A 93 6.493 -7.559 -3.336 1.00 0.00 O ATOM 1414 CB TYR A 93 4.452 -4.907 -3.606 1.00 0.00 C ATOM 1415 CG TYR A 93 5.470 -4.362 -2.603 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.280 -4.560 -1.250 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.579 -3.673 -3.049 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.238 -4.048 -0.305 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.537 -3.160 -2.105 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.319 -3.373 -0.779 1.00 0.00 C ATOM 1421 OH TYR A 93 8.224 -2.889 0.113 1.00 0.00 O ATOM 0 H TYR A 93 4.885 -6.902 -1.687 1.00 0.00 H new ATOM 0 HA TYR A 93 3.651 -6.798 -4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.690 -4.520 -4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.463 -4.530 -3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.412 -5.099 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.728 -3.518 -4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.101 -4.197 0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.409 -2.619 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 93 8.944 -2.430 -0.368 1.00 0.00 H new ATOM 1431 N GLU A 94 6.060 -6.725 -5.392 1.00 0.00 N ATOM 1432 CA GLU A 94 7.321 -7.169 -5.960 1.00 0.00 C ATOM 1433 C GLU A 94 8.188 -5.965 -6.335 1.00 0.00 C ATOM 1434 O GLU A 94 7.670 -4.925 -6.739 1.00 0.00 O ATOM 1435 CB GLU A 94 7.089 -8.076 -7.170 1.00 0.00 C ATOM 1436 CG GLU A 94 6.919 -7.252 -8.448 1.00 0.00 C ATOM 1437 CD GLU A 94 6.618 -8.155 -9.646 1.00 0.00 C ATOM 1438 OE1 GLU A 94 5.442 -8.562 -9.769 1.00 0.00 O ATOM 1439 OE2 GLU A 94 7.570 -8.418 -10.412 1.00 0.00 O ATOM 0 H GLU A 94 5.451 -6.230 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 94 7.850 -7.752 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.930 -8.760 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.201 -8.687 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.110 -6.534 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.826 -6.679 -8.639 1.00 0.00 H new ATOM 1446 N GLY A 95 9.492 -6.146 -6.189 1.00 0.00 N ATOM 1447 CA GLY A 95 10.435 -5.088 -6.508 1.00 0.00 C ATOM 1448 C GLY A 95 10.328 -3.938 -5.505 1.00 0.00 C ATOM 1449 O GLY A 95 9.414 -3.910 -4.683 1.00 0.00 O ATOM 0 H GLY A 95 9.918 -7.010 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.450 -5.486 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.243 -4.716 -7.515 1.00 0.00 H new ATOM 1453 N GLU A 96 11.274 -3.016 -5.606 1.00 0.00 N ATOM 1454 CA GLU A 96 11.298 -1.866 -4.718 1.00 0.00 C ATOM 1455 C GLU A 96 10.177 -0.891 -5.084 1.00 0.00 C ATOM 1456 O GLU A 96 9.426 -1.128 -6.028 1.00 0.00 O ATOM 1457 CB GLU A 96 12.662 -1.174 -4.754 1.00 0.00 C ATOM 1458 CG GLU A 96 12.898 -0.498 -6.106 1.00 0.00 C ATOM 1459 CD GLU A 96 13.438 0.922 -5.923 1.00 0.00 C ATOM 1460 OE1 GLU A 96 14.204 1.117 -4.955 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.071 1.781 -6.754 1.00 0.00 O ATOM 0 H GLU A 96 12.030 -3.042 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 96 11.132 -2.214 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.719 -0.432 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.449 -1.904 -4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.604 -1.086 -6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.965 -0.466 -6.668 1.00 0.00 H new ATOM 1468 N ARG A 97 10.101 0.187 -4.317 1.00 0.00 N ATOM 1469 CA ARG A 97 9.085 1.199 -4.548 1.00 0.00 C ATOM 1470 C ARG A 97 9.516 2.135 -5.679 1.00 0.00 C ATOM 1471 O ARG A 97 10.640 2.044 -6.170 1.00 0.00 O ATOM 1472 CB ARG A 97 8.830 2.022 -3.284 1.00 0.00 C ATOM 1473 CG ARG A 97 7.901 1.278 -2.323 1.00 0.00 C ATOM 1474 CD ARG A 97 8.234 1.612 -0.867 1.00 0.00 C ATOM 1475 NE ARG A 97 7.209 1.037 0.032 1.00 0.00 N ATOM 1476 CZ ARG A 97 7.433 0.706 1.311 1.00 0.00 C ATOM 1477 NH1 ARG A 97 8.646 0.891 1.849 1.00 0.00 N ATOM 1478 NH2 ARG A 97 6.443 0.190 2.052 1.00 0.00 N ATOM 0 H ARG A 97 10.727 0.381 -3.535 1.00 0.00 H new ATOM 0 HA ARG A 97 8.164 0.687 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.777 2.236 -2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.388 2.981 -3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.865 1.545 -2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.992 0.204 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.217 1.217 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.280 2.693 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 97 6.274 0.883 -0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.400 1.284 1.285 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.816 0.639 2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.519 0.049 1.642 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.613 -0.062 3.026 1.00 0.00 H new ATOM 1492 N THR A 98 8.599 3.014 -6.059 1.00 0.00 N ATOM 1493 CA THR A 98 8.871 3.965 -7.123 1.00 0.00 C ATOM 1494 C THR A 98 9.457 5.256 -6.547 1.00 0.00 C ATOM 1495 O THR A 98 9.846 5.299 -5.381 1.00 0.00 O ATOM 1496 CB THR A 98 7.574 4.183 -7.905 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.582 4.341 -6.894 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.133 2.932 -8.667 1.00 0.00 C ATOM 0 H THR A 98 7.668 3.087 -5.649 1.00 0.00 H new ATOM 0 HA THR A 98 9.623 3.582 -7.813 1.00 0.00 H new ATOM 0 HB THR A 98 7.707 5.007 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.709 4.489 -7.313 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.208 3.141 -9.205 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.909 2.646 -9.377 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.967 2.117 -7.963 1.00 0.00 H new ATOM 1506 N ILE A 99 9.502 6.276 -7.392 1.00 0.00 N ATOM 1507 CA ILE A 99 10.035 7.564 -6.982 1.00 0.00 C ATOM 1508 C ILE A 99 8.897 8.431 -6.438 1.00 0.00 C ATOM 1509 O ILE A 99 7.855 8.566 -7.078 1.00 0.00 O ATOM 1510 CB ILE A 99 10.809 8.214 -8.130 1.00 0.00 C ATOM 1511 CG1 ILE A 99 11.939 7.303 -8.614 1.00 0.00 C ATOM 1512 CG2 ILE A 99 11.320 9.600 -7.732 1.00 0.00 C ATOM 1513 CD1 ILE A 99 11.743 6.919 -10.082 1.00 0.00 C ATOM 0 H ILE A 99 9.178 6.236 -8.358 1.00 0.00 H new ATOM 0 HA ILE A 99 10.756 7.439 -6.174 1.00 0.00 H new ATOM 0 HB ILE A 99 10.125 8.352 -8.968 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.897 7.809 -8.491 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.973 6.403 -8.000 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.867 10.040 -8.566 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.475 10.239 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.983 9.510 -6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 99 12.560 6.271 -10.401 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.796 6.392 -10.197 1.00 0.00 H new ATOM 0 HD13 ILE A 99 11.734 7.820 -10.696 1.00 0.00 H new ATOM 1525 N ARG A 100 9.136 8.997 -5.264 1.00 0.00 N ATOM 1526 CA ARG A 100 8.145 9.847 -4.628 1.00 0.00 C ATOM 1527 C ARG A 100 7.930 11.119 -5.450 1.00 0.00 C ATOM 1528 O ARG A 100 8.884 11.833 -5.757 1.00 0.00 O ATOM 1529 CB ARG A 100 8.576 10.231 -3.211 1.00 0.00 C ATOM 1530 CG ARG A 100 8.715 8.991 -2.325 1.00 0.00 C ATOM 1531 CD ARG A 100 9.868 9.152 -1.333 1.00 0.00 C ATOM 1532 NE ARG A 100 9.448 8.697 0.011 1.00 0.00 N ATOM 1533 CZ ARG A 100 10.248 8.688 1.086 1.00 0.00 C ATOM 1534 NH1 ARG A 100 11.515 9.109 0.981 1.00 0.00 N ATOM 1535 NH2 ARG A 100 9.780 8.258 2.266 1.00 0.00 N ATOM 0 H ARG A 100 10.002 8.883 -4.737 1.00 0.00 H new ATOM 0 HA ARG A 100 7.213 9.284 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.526 10.764 -3.248 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.845 10.913 -2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.785 8.821 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.886 8.113 -2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 100 10.730 8.575 -1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.180 10.196 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 100 8.489 8.370 0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.871 9.436 0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.124 9.102 1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.815 7.938 2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.389 8.251 3.084 1.00 0.00 H new ATOM 1549 N GLY A 101 6.672 11.364 -5.784 1.00 0.00 N ATOM 1550 CA GLY A 101 6.319 12.538 -6.565 1.00 0.00 C ATOM 1551 C GLY A 101 4.820 12.829 -6.472 1.00 0.00 C ATOM 1552 O GLY A 101 3.997 11.970 -6.783 1.00 0.00 O ATOM 0 H GLY A 101 5.884 10.769 -5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.883 13.400 -6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.599 12.383 -7.607 1.00 0.00 H new ATOM 1556 N SER A 102 4.512 14.044 -6.041 1.00 0.00 N ATOM 1557 CA SER A 102 3.126 14.459 -5.903 1.00 0.00 C ATOM 1558 C SER A 102 2.846 15.658 -6.811 1.00 0.00 C ATOM 1559 O SER A 102 1.986 15.590 -7.688 1.00 0.00 O ATOM 1560 CB SER A 102 2.797 14.806 -4.450 1.00 0.00 C ATOM 1561 OG SER A 102 2.994 13.695 -3.578 1.00 0.00 O ATOM 0 H SER A 102 5.198 14.754 -5.783 1.00 0.00 H new ATOM 0 HA SER A 102 2.489 13.627 -6.203 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.423 15.637 -4.125 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.762 15.141 -4.383 1.00 0.00 H new ATOM 0 HG SER A 102 2.775 13.957 -2.659 1.00 0.00 H new ATOM 1567 N GLY A 103 3.589 16.728 -6.570 1.00 0.00 N ATOM 1568 CA GLY A 103 3.431 17.941 -7.356 1.00 0.00 C ATOM 1569 C GLY A 103 2.534 18.948 -6.634 1.00 0.00 C ATOM 1570 O GLY A 103 2.363 18.874 -5.419 1.00 0.00 O ATOM 0 H GLY A 103 4.302 16.781 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.408 18.387 -7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.001 17.696 -8.327 1.00 0.00 H new ATOM 1574 N PRO A 104 1.969 19.891 -7.435 1.00 0.00 N ATOM 1575 CA PRO A 104 1.094 20.913 -6.886 1.00 0.00 C ATOM 1576 C PRO A 104 -0.280 20.332 -6.544 1.00 0.00 C ATOM 1577 O PRO A 104 -0.769 20.501 -5.428 1.00 0.00 O ATOM 1578 CB PRO A 104 1.032 21.994 -7.953 1.00 0.00 C ATOM 1579 CG PRO A 104 1.495 21.334 -9.242 1.00 0.00 C ATOM 1580 CD PRO A 104 2.149 20.010 -8.879 1.00 0.00 C ATOM 0 HA PRO A 104 1.464 21.321 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 104 0.019 22.384 -8.056 1.00 0.00 H new ATOM 0 HB3 PRO A 104 1.673 22.836 -7.693 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.651 21.172 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 104 2.201 21.977 -9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 104 1.680 19.179 -9.406 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.205 20.003 -9.148 1.00 0.00 H new ATOM 1588 N SER A 105 -0.863 19.658 -7.525 1.00 0.00 N ATOM 1589 CA SER A 105 -2.170 19.051 -7.342 1.00 0.00 C ATOM 1590 C SER A 105 -2.356 17.901 -8.333 1.00 0.00 C ATOM 1591 O SER A 105 -2.843 18.106 -9.444 1.00 0.00 O ATOM 1592 CB SER A 105 -3.286 20.084 -7.512 1.00 0.00 C ATOM 1593 OG SER A 105 -4.045 20.251 -6.317 1.00 0.00 O ATOM 0 H SER A 105 -0.454 19.519 -8.449 1.00 0.00 H new ATOM 0 HA SER A 105 -2.226 18.660 -6.326 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.853 21.041 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.947 19.774 -8.321 1.00 0.00 H new ATOM 0 HG SER A 105 -4.746 20.919 -6.466 1.00 0.00 H new ATOM 1599 N SER A 106 -1.959 16.715 -7.896 1.00 0.00 N ATOM 1600 CA SER A 106 -2.076 15.531 -8.731 1.00 0.00 C ATOM 1601 C SER A 106 -3.292 14.708 -8.304 1.00 0.00 C ATOM 1602 O SER A 106 -3.475 14.431 -7.119 1.00 0.00 O ATOM 1603 CB SER A 106 -0.807 14.680 -8.660 1.00 0.00 C ATOM 1604 OG SER A 106 -0.026 14.786 -9.848 1.00 0.00 O ATOM 0 H SER A 106 -1.556 16.548 -6.974 1.00 0.00 H new ATOM 0 HA SER A 106 -2.208 15.852 -9.764 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.209 14.992 -7.804 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.078 13.637 -8.496 1.00 0.00 H new ATOM 0 HG SER A 106 0.877 15.090 -9.620 1.00 0.00 H new ATOM 1610 N GLY A 107 -4.094 14.338 -9.292 1.00 0.00 N ATOM 1611 CA GLY A 107 -5.288 13.552 -9.034 1.00 0.00 C ATOM 1612 C GLY A 107 -6.326 13.751 -10.140 1.00 0.00 C ATOM 1613 O GLY A 107 -6.036 14.365 -11.165 1.00 0.00 O ATOM 0 H GLY A 107 -3.940 14.569 -10.274 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.025 12.497 -8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.716 13.839 -8.073 1.00 0.00 H new TER 1617 GLY A 107