USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 850 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 38 SER OG : rot 82:sc= -2.78! USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -3.72 F(o=-12!,f=-6.5) USER MOD Single : A 1 ALA N :NH3+ 168:sc= 0 (180deg=-0.136) USER MOD Single : A 4 HIS : no HD1:sc=-0.00923 X(o=-0.0092,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.007) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-1.5) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.517 F(o=-1.3,f=-0.52) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 65:sc= -1.17! USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.287 K(o=-0.29,f=-3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 30:sc= -4.13! USER MOD Single : A 36 SER OG : rot 62:sc= 0.191 USER MOD Single : A 39 THR OG1 : rot 112:sc= 0.669 USER MOD Single : A 40 THR OG1 : rot 140:sc= -0.707 USER MOD Single : A 42 THR OG1 : rot 128:sc= 1.26 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.65! C(o=-2.7!,f=-9.9!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -41:sc= 0.424 USER MOD Single : A 51 SER OG : rot -95:sc= 0.299 USER MOD Single : A 52 MET CE :methyl -166:sc= -10.7! (180deg=-11.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.68! USER MOD Single : A 55 HIS : no HD1:sc= -8.13! C(o=-8.1!,f=-11!) USER MOD Single : A 57 HIS : no HE2:sc= -17.7! C(o=-18!,f=-28!) USER MOD Single : A 58 GLN : amide:sc= -0.324 K(o=-0.32,f=-1.8!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 61 THR OG1 : rot -130:sc= 0.868 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -118:sc= 0.601 USER MOD Single : A 66 ASN : amide:sc= -0.402 K(o=-0.4,f=-3.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -7.24! C(o=-7.2!,f=-15!) USER MOD Single : A 82 SER OG : rot -93:sc= -9.03! USER MOD Single : A 86 TYR OH : rot 165:sc= -0.397 USER MOD Single : A 87 THR OG1 : rot 107:sc= -0.92 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 165:sc= -0.563 USER MOD Single : A 98 ASN :FLIP amide:sc= -3.47! C(o=-4.1!,f=-3.5!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.7) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.179 USER MOD Single : A 108 SER OG : rot 18:sc= 0.694 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.0335 K(o=-0.034,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 27.435 10.850 18.013 1.00 0.00 N ATOM 2 CA ALA A 1 27.101 10.728 16.564 1.00 0.00 C ATOM 3 C ALA A 1 27.972 11.678 15.737 1.00 0.00 C ATOM 4 O ALA A 1 27.510 12.690 15.248 1.00 0.00 O ATOM 5 CB ALA A 1 25.629 11.124 16.461 1.00 0.00 C ATOM 0 H1 ALA A 1 26.712 10.362 18.578 1.00 0.00 H new ATOM 0 H2 ALA A 1 28.364 10.419 18.193 1.00 0.00 H new ATOM 0 H3 ALA A 1 27.462 11.855 18.280 1.00 0.00 H new ATOM 0 HA ALA A 1 27.280 9.722 16.183 1.00 0.00 H new ATOM 0 HB1 ALA A 1 25.307 11.060 15.422 1.00 0.00 H new ATOM 0 HB2 ALA A 1 25.027 10.449 17.070 1.00 0.00 H new ATOM 0 HB3 ALA A 1 25.501 12.146 16.818 1.00 0.00 H new ATOM 13 N ARG A 2 29.226 11.359 15.574 1.00 0.00 N ATOM 14 CA ARG A 2 30.123 12.243 14.776 1.00 0.00 C ATOM 15 C ARG A 2 29.813 12.095 13.285 1.00 0.00 C ATOM 16 O ARG A 2 29.523 13.057 12.601 1.00 0.00 O ATOM 17 CB ARG A 2 31.538 11.751 15.082 1.00 0.00 C ATOM 18 CG ARG A 2 31.865 12.021 16.551 1.00 0.00 C ATOM 19 CD ARG A 2 31.905 10.697 17.317 1.00 0.00 C ATOM 20 NE ARG A 2 31.157 10.961 18.577 1.00 0.00 N ATOM 21 CZ ARG A 2 31.774 10.899 19.725 1.00 0.00 C ATOM 22 NH1 ARG A 2 31.923 9.750 20.325 1.00 0.00 N ATOM 23 NH2 ARG A 2 32.244 11.986 20.273 1.00 0.00 N ATOM 0 H ARG A 2 29.669 10.525 15.959 1.00 0.00 H new ATOM 0 HA ARG A 2 29.997 13.297 15.025 1.00 0.00 H new ATOM 0 HB2 ARG A 2 31.617 10.685 14.871 1.00 0.00 H new ATOM 0 HB3 ARG A 2 32.258 12.258 14.439 1.00 0.00 H new ATOM 0 HG2 ARG A 2 32.825 12.530 16.633 1.00 0.00 H new ATOM 0 HG3 ARG A 2 31.116 12.682 16.986 1.00 0.00 H new ATOM 0 HD2 ARG A 2 31.442 9.894 16.743 1.00 0.00 H new ATOM 0 HD3 ARG A 2 32.931 10.391 17.523 1.00 0.00 H new ATOM 0 HE ARG A 2 30.164 11.190 18.543 1.00 0.00 H new ATOM 0 HH11 ARG A 2 31.557 8.900 19.897 1.00 0.00 H new ATOM 0 HH12 ARG A 2 32.405 9.702 21.222 1.00 0.00 H new ATOM 0 HH21 ARG A 2 32.129 12.884 19.804 1.00 0.00 H new ATOM 0 HH22 ARG A 2 32.726 11.937 21.170 1.00 0.00 H new ATOM 37 N ILE A 3 29.871 10.894 12.777 1.00 0.00 N ATOM 38 CA ILE A 3 29.579 10.680 11.332 1.00 0.00 C ATOM 39 C ILE A 3 28.608 9.509 11.159 1.00 0.00 C ATOM 40 O ILE A 3 28.582 8.858 10.134 1.00 0.00 O ATOM 41 CB ILE A 3 30.932 10.354 10.700 1.00 0.00 C ATOM 42 CG1 ILE A 3 31.553 9.153 11.418 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.861 11.561 10.832 1.00 0.00 C ATOM 44 CD1 ILE A 3 32.774 8.666 10.635 1.00 0.00 C ATOM 0 H ILE A 3 30.108 10.052 13.301 1.00 0.00 H new ATOM 0 HA ILE A 3 29.113 11.550 10.870 1.00 0.00 H new ATOM 0 HB ILE A 3 30.793 10.116 9.645 1.00 0.00 H new ATOM 0 HG12 ILE A 3 31.845 9.432 12.431 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.821 8.350 11.507 1.00 0.00 H new ATOM 0 HG21 ILE A 3 32.826 11.329 10.381 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.419 12.417 10.322 1.00 0.00 H new ATOM 0 HG23 ILE A 3 32.001 11.799 11.886 1.00 0.00 H new ATOM 0 HD11 ILE A 3 33.217 7.811 11.146 1.00 0.00 H new ATOM 0 HD12 ILE A 3 32.468 8.371 9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 3 33.508 9.469 10.569 1.00 0.00 H new ATOM 56 N HIS A 4 27.810 9.236 12.155 1.00 0.00 N ATOM 57 CA HIS A 4 26.843 8.106 12.047 1.00 0.00 C ATOM 58 C HIS A 4 25.522 8.596 11.450 1.00 0.00 C ATOM 59 O HIS A 4 25.051 8.084 10.453 1.00 0.00 O ATOM 60 CB HIS A 4 26.637 7.621 13.483 1.00 0.00 C ATOM 61 CG HIS A 4 25.672 6.466 13.491 1.00 0.00 C ATOM 62 ND1 HIS A 4 24.764 6.268 14.519 1.00 0.00 N ATOM 63 CD2 HIS A 4 25.463 5.440 12.603 1.00 0.00 C ATOM 64 CE1 HIS A 4 24.056 5.161 14.228 1.00 0.00 C ATOM 65 NE2 HIS A 4 24.442 4.617 13.071 1.00 0.00 N ATOM 0 H HIS A 4 27.786 9.746 13.038 1.00 0.00 H new ATOM 0 HA HIS A 4 27.208 7.310 11.398 1.00 0.00 H new ATOM 0 HB2 HIS A 4 27.590 7.315 13.915 1.00 0.00 H new ATOM 0 HB3 HIS A 4 26.253 8.433 14.101 1.00 0.00 H new ATOM 0 HD2 HIS A 4 26.008 5.294 11.682 1.00 0.00 H new ATOM 0 HE1 HIS A 4 23.272 4.761 14.854 1.00 0.00 H new ATOM 0 HE2 HIS A 4 24.069 3.779 12.626 1.00 0.00 H new ATOM 73 N HIS A 5 24.920 9.585 12.052 1.00 0.00 N ATOM 74 CA HIS A 5 23.629 10.107 11.518 1.00 0.00 C ATOM 75 C HIS A 5 23.799 10.555 10.064 1.00 0.00 C ATOM 76 O HIS A 5 24.891 10.570 9.533 1.00 0.00 O ATOM 77 CB HIS A 5 23.286 11.300 12.409 1.00 0.00 C ATOM 78 CG HIS A 5 21.791 11.449 12.492 1.00 0.00 C ATOM 79 ND1 HIS A 5 21.156 12.664 12.285 1.00 0.00 N ATOM 80 CD2 HIS A 5 20.793 10.545 12.755 1.00 0.00 C ATOM 81 CE1 HIS A 5 19.834 12.460 12.426 1.00 0.00 C ATOM 82 NE2 HIS A 5 19.558 11.185 12.713 1.00 0.00 N ATOM 0 H HIS A 5 25.265 10.054 12.889 1.00 0.00 H new ATOM 0 HA HIS A 5 22.843 9.351 11.527 1.00 0.00 H new ATOM 0 HB2 HIS A 5 23.704 11.156 13.405 1.00 0.00 H new ATOM 0 HB3 HIS A 5 23.731 12.209 12.005 1.00 0.00 H new ATOM 0 HD2 HIS A 5 20.943 9.496 12.963 1.00 0.00 H new ATOM 0 HE1 HIS A 5 19.087 13.233 12.320 1.00 0.00 H new ATOM 0 HE2 HIS A 5 18.639 10.770 12.868 1.00 0.00 H new ATOM 90 N HIS A 6 22.726 10.920 9.418 1.00 0.00 N ATOM 91 CA HIS A 6 22.825 11.368 8.000 1.00 0.00 C ATOM 92 C HIS A 6 23.274 10.206 7.110 1.00 0.00 C ATOM 93 O HIS A 6 24.231 9.518 7.405 1.00 0.00 O ATOM 94 CB HIS A 6 23.879 12.476 8.006 1.00 0.00 C ATOM 95 CG HIS A 6 23.684 13.358 6.804 1.00 0.00 C ATOM 96 ND1 HIS A 6 24.487 13.262 5.679 1.00 0.00 N ATOM 97 CD2 HIS A 6 22.783 14.359 6.537 1.00 0.00 C ATOM 98 CE1 HIS A 6 24.057 14.180 4.794 1.00 0.00 C ATOM 99 NE2 HIS A 6 23.020 14.877 5.267 1.00 0.00 N ATOM 0 H HIS A 6 21.785 10.927 9.811 1.00 0.00 H new ATOM 0 HA HIS A 6 21.869 11.718 7.610 1.00 0.00 H new ATOM 0 HB2 HIS A 6 23.798 13.065 8.920 1.00 0.00 H new ATOM 0 HB3 HIS A 6 24.879 12.042 7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 6 22.008 14.694 7.210 1.00 0.00 H new ATOM 0 HE1 HIS A 6 24.497 14.335 3.820 1.00 0.00 H new ATOM 0 HE2 HIS A 6 22.512 15.627 4.799 1.00 0.00 H new ATOM 107 N HIS A 7 22.590 9.983 6.021 1.00 0.00 N ATOM 108 CA HIS A 7 22.979 8.865 5.114 1.00 0.00 C ATOM 109 C HIS A 7 24.313 9.177 4.430 1.00 0.00 C ATOM 110 O HIS A 7 24.499 10.235 3.862 1.00 0.00 O ATOM 111 CB HIS A 7 21.851 8.779 4.085 1.00 0.00 C ATOM 112 CG HIS A 7 21.950 9.936 3.129 1.00 0.00 C ATOM 113 ND1 HIS A 7 22.593 9.831 1.905 1.00 0.00 N ATOM 114 CD2 HIS A 7 21.492 11.229 3.202 1.00 0.00 C ATOM 115 CE1 HIS A 7 22.505 11.028 1.297 1.00 0.00 C ATOM 116 NE2 HIS A 7 21.844 11.916 2.044 1.00 0.00 N ATOM 0 H HIS A 7 21.780 10.525 5.720 1.00 0.00 H new ATOM 0 HA HIS A 7 23.112 7.925 5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 7 21.914 7.837 3.540 1.00 0.00 H new ATOM 0 HB3 HIS A 7 20.884 8.792 4.588 1.00 0.00 H new ATOM 0 HD2 HIS A 7 20.942 11.649 4.032 1.00 0.00 H new ATOM 0 HE1 HIS A 7 22.919 11.244 0.323 1.00 0.00 H new ATOM 0 HE2 HIS A 7 21.641 12.889 1.815 1.00 0.00 H new ATOM 124 N HIS A 8 25.242 8.262 4.481 1.00 0.00 N ATOM 125 CA HIS A 8 26.563 8.504 3.834 1.00 0.00 C ATOM 126 C HIS A 8 27.069 7.220 3.171 1.00 0.00 C ATOM 127 O HIS A 8 28.242 7.076 2.891 1.00 0.00 O ATOM 128 CB HIS A 8 27.492 8.918 4.976 1.00 0.00 C ATOM 129 CG HIS A 8 28.755 9.506 4.409 1.00 0.00 C ATOM 130 ND1 HIS A 8 29.947 8.934 4.041 1.00 0.00 N flip ATOM 131 CD2 HIS A 8 28.892 10.863 4.158 1.00 0.00 C flip ATOM 132 CE1 HIS A 8 30.812 9.917 3.569 1.00 0.00 C flip ATOM 133 NE2 HIS A 8 30.127 11.060 3.661 1.00 0.00 N flip ATOM 0 H HIS A 8 25.144 7.358 4.942 1.00 0.00 H new ATOM 0 HA HIS A 8 26.509 9.265 3.055 1.00 0.00 H new ATOM 0 HB2 HIS A 8 26.995 9.646 5.617 1.00 0.00 H new ATOM 0 HB3 HIS A 8 27.728 8.055 5.598 1.00 0.00 H new ATOM 0 HD2 HIS A 8 28.144 11.623 4.330 1.00 0.00 H new ATOM 0 HE1 HIS A 8 31.821 9.784 3.206 1.00 0.00 H new ATOM 0 HE2 HIS A 8 30.495 11.971 3.388 1.00 0.00 H new ATOM 141 N HIS A 9 26.194 6.286 2.918 1.00 0.00 N ATOM 142 CA HIS A 9 26.630 5.013 2.274 1.00 0.00 C ATOM 143 C HIS A 9 25.413 4.234 1.766 1.00 0.00 C ATOM 144 O HIS A 9 25.419 3.021 1.711 1.00 0.00 O ATOM 145 CB HIS A 9 27.342 4.235 3.381 1.00 0.00 C ATOM 146 CG HIS A 9 28.455 3.418 2.784 1.00 0.00 C ATOM 147 ND1 HIS A 9 28.373 2.040 2.654 1.00 0.00 N ATOM 148 CD2 HIS A 9 29.682 3.770 2.281 1.00 0.00 C ATOM 149 CE1 HIS A 9 29.521 1.617 2.092 1.00 0.00 C ATOM 150 NE2 HIS A 9 30.353 2.632 1.844 1.00 0.00 N ATOM 0 H HIS A 9 25.198 6.348 3.128 1.00 0.00 H new ATOM 0 HA HIS A 9 27.278 5.184 1.414 1.00 0.00 H new ATOM 0 HB2 HIS A 9 27.741 4.924 4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 9 26.635 3.585 3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 9 30.068 4.777 2.232 1.00 0.00 H new ATOM 0 HE1 HIS A 9 29.742 0.584 1.869 1.00 0.00 H new ATOM 0 HE2 HIS A 9 31.281 2.583 1.424 1.00 0.00 H new ATOM 158 N ILE A 10 24.370 4.924 1.393 1.00 0.00 N ATOM 159 CA ILE A 10 23.153 4.224 0.887 1.00 0.00 C ATOM 160 C ILE A 10 22.815 4.708 -0.524 1.00 0.00 C ATOM 161 O ILE A 10 23.151 4.076 -1.506 1.00 0.00 O ATOM 162 CB ILE A 10 22.040 4.607 1.863 1.00 0.00 C ATOM 163 CG1 ILE A 10 22.311 3.962 3.224 1.00 0.00 C ATOM 164 CG2 ILE A 10 20.696 4.114 1.323 1.00 0.00 C ATOM 165 CD1 ILE A 10 22.660 5.048 4.243 1.00 0.00 C ATOM 0 H ILE A 10 24.307 5.942 1.416 1.00 0.00 H new ATOM 0 HA ILE A 10 23.292 3.144 0.830 1.00 0.00 H new ATOM 0 HB ILE A 10 22.011 5.691 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.434 3.406 3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 10 23.130 3.248 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 10 19.902 4.387 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 10 20.503 4.573 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.724 3.030 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.853 4.589 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 10 23.549 5.585 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 10 21.827 5.745 4.331 1.00 0.00 H new ATOM 177 N GLU A 11 22.150 5.825 -0.632 1.00 0.00 N ATOM 178 CA GLU A 11 21.789 6.352 -1.978 1.00 0.00 C ATOM 179 C GLU A 11 22.518 7.672 -2.242 1.00 0.00 C ATOM 180 O GLU A 11 23.545 7.706 -2.890 1.00 0.00 O ATOM 181 CB GLU A 11 20.278 6.575 -1.923 1.00 0.00 C ATOM 182 CG GLU A 11 19.562 5.372 -2.539 1.00 0.00 C ATOM 183 CD GLU A 11 18.813 5.814 -3.797 1.00 0.00 C ATOM 184 OE1 GLU A 11 18.088 6.791 -3.718 1.00 0.00 O ATOM 185 OE2 GLU A 11 18.976 5.166 -4.818 1.00 0.00 O ATOM 0 H GLU A 11 21.841 6.396 0.155 1.00 0.00 H new ATOM 0 HA GLU A 11 22.071 5.669 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 11 19.957 6.713 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.014 7.484 -2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.284 4.594 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.865 4.943 -1.820 1.00 0.00 H new ATOM 192 N GLY A 12 21.996 8.759 -1.744 1.00 0.00 N ATOM 193 CA GLY A 12 22.663 10.072 -1.969 1.00 0.00 C ATOM 194 C GLY A 12 21.627 11.193 -1.886 1.00 0.00 C ATOM 195 O GLY A 12 20.519 10.995 -1.429 1.00 0.00 O ATOM 0 H GLY A 12 21.139 8.795 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 12 23.443 10.228 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 12 23.148 10.083 -2.945 1.00 0.00 H new ATOM 199 N ARG A 13 21.977 12.370 -2.325 1.00 0.00 N ATOM 200 CA ARG A 13 21.012 13.504 -2.271 1.00 0.00 C ATOM 201 C ARG A 13 20.630 13.937 -3.688 1.00 0.00 C ATOM 202 O ARG A 13 21.039 13.337 -4.663 1.00 0.00 O ATOM 203 CB ARG A 13 21.759 14.625 -1.550 1.00 0.00 C ATOM 204 CG ARG A 13 22.897 15.133 -2.438 1.00 0.00 C ATOM 205 CD ARG A 13 24.066 15.587 -1.561 1.00 0.00 C ATOM 206 NE ARG A 13 24.951 16.365 -2.472 1.00 0.00 N ATOM 207 CZ ARG A 13 26.149 15.927 -2.752 1.00 0.00 C ATOM 208 NH1 ARG A 13 26.936 15.521 -1.793 1.00 0.00 N ATOM 209 NH2 ARG A 13 26.559 15.894 -3.990 1.00 0.00 N ATOM 0 H ARG A 13 22.890 12.596 -2.719 1.00 0.00 H new ATOM 0 HA ARG A 13 20.087 13.237 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 13 21.075 15.440 -1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 13 22.157 14.261 -0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 13 23.223 14.345 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 13 22.549 15.961 -3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 13 23.720 16.200 -0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 13 24.592 14.734 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 13 24.621 17.241 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 13 26.615 15.546 -0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 13 27.872 15.179 -2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 13 25.944 16.210 -4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 13 27.495 15.552 -4.208 1.00 0.00 H new ATOM 223 N ALA A 14 19.850 14.976 -3.811 1.00 0.00 N ATOM 224 CA ALA A 14 19.445 15.446 -5.167 1.00 0.00 C ATOM 225 C ALA A 14 19.497 16.974 -5.233 1.00 0.00 C ATOM 226 O ALA A 14 19.639 17.636 -4.224 1.00 0.00 O ATOM 227 CB ALA A 14 18.010 14.952 -5.347 1.00 0.00 C ATOM 0 H ALA A 14 19.476 15.519 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 14 20.106 15.070 -5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.639 15.259 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 14 17.988 13.865 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 14 17.378 15.379 -4.569 1.00 0.00 H new ATOM 233 N PRO A 15 19.374 17.481 -6.428 1.00 0.00 N ATOM 234 CA PRO A 15 19.401 18.948 -6.640 1.00 0.00 C ATOM 235 C PRO A 15 18.097 19.579 -6.141 1.00 0.00 C ATOM 236 O PRO A 15 18.003 20.019 -5.013 1.00 0.00 O ATOM 237 CB PRO A 15 19.540 19.089 -8.153 1.00 0.00 C ATOM 238 CG PRO A 15 18.987 17.818 -8.717 1.00 0.00 C ATOM 239 CD PRO A 15 19.201 16.742 -7.683 1.00 0.00 C ATOM 0 HA PRO A 15 20.204 19.449 -6.100 1.00 0.00 H new ATOM 0 HB2 PRO A 15 18.990 19.955 -8.520 1.00 0.00 H new ATOM 0 HB3 PRO A 15 20.582 19.228 -8.442 1.00 0.00 H new ATOM 0 HG2 PRO A 15 17.927 17.927 -8.945 1.00 0.00 H new ATOM 0 HG3 PRO A 15 19.489 17.561 -9.650 1.00 0.00 H new ATOM 0 HD2 PRO A 15 18.350 16.063 -7.632 1.00 0.00 H new ATOM 0 HD3 PRO A 15 20.078 16.137 -7.913 1.00 0.00 H new ATOM 247 N THR A 16 17.089 19.624 -6.969 1.00 0.00 N ATOM 248 CA THR A 16 15.797 20.224 -6.531 1.00 0.00 C ATOM 249 C THR A 16 14.707 19.148 -6.470 1.00 0.00 C ATOM 250 O THR A 16 14.253 18.772 -5.408 1.00 0.00 O ATOM 251 CB THR A 16 15.462 21.272 -7.594 1.00 0.00 C ATOM 252 OG1 THR A 16 16.645 21.973 -7.953 1.00 0.00 O ATOM 253 CG2 THR A 16 14.434 22.255 -7.033 1.00 0.00 C ATOM 0 H THR A 16 17.104 19.273 -7.926 1.00 0.00 H new ATOM 0 HA THR A 16 15.863 20.664 -5.536 1.00 0.00 H new ATOM 0 HB THR A 16 15.049 20.781 -8.475 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.433 22.644 -8.635 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.195 23.002 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.528 21.716 -6.756 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.845 22.749 -6.153 1.00 0.00 H new ATOM 261 N GLU A 17 14.282 18.653 -7.601 1.00 0.00 N ATOM 262 CA GLU A 17 13.223 17.610 -7.605 1.00 0.00 C ATOM 263 C GLU A 17 13.693 16.367 -6.844 1.00 0.00 C ATOM 264 O GLU A 17 14.549 15.635 -7.299 1.00 0.00 O ATOM 265 CB GLU A 17 12.996 17.282 -9.081 1.00 0.00 C ATOM 266 CG GLU A 17 11.511 17.000 -9.317 1.00 0.00 C ATOM 267 CD GLU A 17 10.774 18.319 -9.556 1.00 0.00 C ATOM 268 OE1 GLU A 17 11.416 19.265 -9.980 1.00 0.00 O ATOM 269 OE2 GLU A 17 9.579 18.359 -9.312 1.00 0.00 O ATOM 0 H GLU A 17 14.624 18.928 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 17 12.310 17.950 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.323 18.114 -9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.592 16.416 -9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.387 16.341 -10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.086 16.484 -8.456 1.00 0.00 H new ATOM 276 N GLN A 18 13.140 16.126 -5.687 1.00 0.00 N ATOM 277 CA GLN A 18 13.550 14.940 -4.898 1.00 0.00 C ATOM 278 C GLN A 18 12.630 13.754 -5.201 1.00 0.00 C ATOM 279 O GLN A 18 12.942 12.619 -4.899 1.00 0.00 O ATOM 280 CB GLN A 18 13.417 15.367 -3.435 1.00 0.00 C ATOM 281 CG GLN A 18 12.013 15.920 -3.188 1.00 0.00 C ATOM 282 CD GLN A 18 11.685 15.836 -1.696 1.00 0.00 C ATOM 283 OE1 GLN A 18 10.851 15.052 -1.288 1.00 0.00 O ATOM 284 NE2 GLN A 18 12.311 16.617 -0.858 1.00 0.00 N ATOM 0 H GLN A 18 12.419 16.705 -5.256 1.00 0.00 H new ATOM 0 HA GLN A 18 14.564 14.620 -5.136 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.605 14.517 -2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.164 16.124 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.954 16.954 -3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.281 15.354 -3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.011 17.275 -1.200 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.100 16.569 0.139 1.00 0.00 H new ATOM 293 N SER A 19 11.496 14.010 -5.796 1.00 0.00 N ATOM 294 CA SER A 19 10.557 12.898 -6.118 1.00 0.00 C ATOM 295 C SER A 19 11.141 12.014 -7.223 1.00 0.00 C ATOM 296 O SER A 19 11.833 12.492 -8.100 1.00 0.00 O ATOM 297 CB SER A 19 9.281 13.585 -6.604 1.00 0.00 C ATOM 298 OG SER A 19 9.408 13.885 -7.987 1.00 0.00 O ATOM 0 H SER A 19 11.180 14.940 -6.072 1.00 0.00 H new ATOM 0 HA SER A 19 10.373 12.253 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.420 12.938 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.107 14.499 -6.036 1.00 0.00 H new ATOM 0 HG SER A 19 8.591 14.324 -8.303 1.00 0.00 H new ATOM 304 N PRO A 20 10.839 10.748 -7.141 1.00 0.00 N ATOM 305 CA PRO A 20 11.336 9.778 -8.148 1.00 0.00 C ATOM 306 C PRO A 20 10.600 9.966 -9.478 1.00 0.00 C ATOM 307 O PRO A 20 9.764 10.837 -9.618 1.00 0.00 O ATOM 308 CB PRO A 20 11.008 8.422 -7.529 1.00 0.00 C ATOM 309 CG PRO A 20 9.866 8.687 -6.600 1.00 0.00 C ATOM 310 CD PRO A 20 10.012 10.106 -6.114 1.00 0.00 C ATOM 0 HA PRO A 20 12.397 9.893 -8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 20 10.734 7.695 -8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.866 8.014 -6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.913 8.551 -7.112 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.880 7.989 -5.763 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.043 10.597 -6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.489 10.146 -5.135 1.00 0.00 H new ATOM 318 N GLY A 21 10.902 9.156 -10.456 1.00 0.00 N ATOM 319 CA GLY A 21 10.217 9.292 -11.773 1.00 0.00 C ATOM 320 C GLY A 21 9.134 8.220 -11.900 1.00 0.00 C ATOM 321 O GLY A 21 8.941 7.640 -12.950 1.00 0.00 O ATOM 0 H GLY A 21 11.592 8.407 -10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.774 10.284 -11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.940 9.191 -12.583 1.00 0.00 H new ATOM 325 N VAL A 22 8.424 7.953 -10.839 1.00 0.00 N ATOM 326 CA VAL A 22 7.352 6.919 -10.899 1.00 0.00 C ATOM 327 C VAL A 22 6.182 7.323 -10.000 1.00 0.00 C ATOM 328 O VAL A 22 6.367 7.745 -8.875 1.00 0.00 O ATOM 329 CB VAL A 22 8.010 5.636 -10.387 1.00 0.00 C ATOM 330 CG1 VAL A 22 8.594 5.879 -8.995 1.00 0.00 C ATOM 331 CG2 VAL A 22 6.963 4.522 -10.312 1.00 0.00 C ATOM 0 H VAL A 22 8.540 8.406 -9.932 1.00 0.00 H new ATOM 0 HA VAL A 22 6.950 6.794 -11.905 1.00 0.00 H new ATOM 0 HB VAL A 22 8.808 5.342 -11.068 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.062 4.964 -8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.340 6.672 -9.047 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.797 6.174 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.430 3.607 -9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.165 4.818 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.547 4.346 -11.304 1.00 0.00 H new ATOM 341 N GLN A 23 4.977 7.197 -10.485 1.00 0.00 N ATOM 342 CA GLN A 23 3.801 7.570 -9.663 1.00 0.00 C ATOM 343 C GLN A 23 2.560 6.804 -10.127 1.00 0.00 C ATOM 344 O GLN A 23 1.742 7.316 -10.865 1.00 0.00 O ATOM 345 CB GLN A 23 3.619 9.073 -9.876 1.00 0.00 C ATOM 346 CG GLN A 23 3.304 9.346 -11.348 1.00 0.00 C ATOM 347 CD GLN A 23 4.283 10.388 -11.895 1.00 0.00 C ATOM 348 OE1 GLN A 23 4.096 11.573 -11.706 1.00 0.00 O ATOM 349 NE2 GLN A 23 5.328 9.992 -12.570 1.00 0.00 N ATOM 0 H GLN A 23 4.760 6.850 -11.419 1.00 0.00 H new ATOM 0 HA GLN A 23 3.945 7.326 -8.610 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.812 9.445 -9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.524 9.605 -9.582 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.379 8.424 -11.924 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.280 9.704 -11.451 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.485 8.997 -12.729 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.987 10.678 -12.938 1.00 0.00 H new ATOM 358 N ASP A 24 2.412 5.581 -9.696 1.00 0.00 N ATOM 359 CA ASP A 24 1.222 4.785 -10.108 1.00 0.00 C ATOM 360 C ASP A 24 -0.056 5.450 -9.589 1.00 0.00 C ATOM 361 O ASP A 24 -0.037 6.578 -9.136 1.00 0.00 O ATOM 362 CB ASP A 24 1.424 3.412 -9.466 1.00 0.00 C ATOM 363 CG ASP A 24 1.192 2.320 -10.512 1.00 0.00 C ATOM 364 OD1 ASP A 24 2.051 2.147 -11.360 1.00 0.00 O ATOM 365 OD2 ASP A 24 0.158 1.676 -10.447 1.00 0.00 O ATOM 0 H ASP A 24 3.064 5.099 -9.077 1.00 0.00 H new ATOM 0 HA ASP A 24 1.121 4.711 -11.191 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.433 3.333 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.734 3.284 -8.632 1.00 0.00 H new ATOM 370 N CYS A 25 -1.164 4.766 -9.649 1.00 0.00 N ATOM 371 CA CYS A 25 -2.436 5.378 -9.151 1.00 0.00 C ATOM 372 C CYS A 25 -3.513 4.318 -8.880 1.00 0.00 C ATOM 373 O CYS A 25 -3.234 3.141 -8.768 1.00 0.00 O ATOM 374 CB CYS A 25 -2.860 6.383 -10.239 1.00 0.00 C ATOM 375 SG CYS A 25 -4.056 5.653 -11.394 1.00 0.00 S ATOM 0 H CYS A 25 -1.248 3.818 -10.017 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.295 5.875 -8.191 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.297 7.264 -9.770 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.980 6.718 -10.789 1.00 0.00 H new ATOM 380 N TYR A 26 -4.742 4.747 -8.754 1.00 0.00 N ATOM 381 CA TYR A 26 -5.856 3.790 -8.466 1.00 0.00 C ATOM 382 C TYR A 26 -7.066 4.086 -9.351 1.00 0.00 C ATOM 383 O TYR A 26 -6.964 4.740 -10.364 1.00 0.00 O ATOM 384 CB TYR A 26 -6.218 4.054 -7.008 1.00 0.00 C ATOM 385 CG TYR A 26 -5.601 2.998 -6.136 1.00 0.00 C ATOM 386 CD1 TYR A 26 -5.785 1.645 -6.435 1.00 0.00 C ATOM 387 CD2 TYR A 26 -4.849 3.375 -5.022 1.00 0.00 C ATOM 388 CE1 TYR A 26 -5.214 0.666 -5.616 1.00 0.00 C ATOM 389 CE2 TYR A 26 -4.278 2.400 -4.204 1.00 0.00 C ATOM 390 CZ TYR A 26 -4.458 1.043 -4.499 1.00 0.00 C ATOM 391 OH TYR A 26 -3.894 0.078 -3.690 1.00 0.00 O ATOM 0 H TYR A 26 -5.025 5.723 -8.838 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.564 2.757 -8.655 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.864 5.040 -6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.301 4.053 -6.886 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.367 1.356 -7.297 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.709 4.421 -4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.356 -0.380 -5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.696 2.692 -3.342 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.223 -0.424 -4.198 1.00 0.00 H new ATOM 401 N HIS A 27 -8.217 3.614 -8.960 1.00 0.00 N ATOM 402 CA HIS A 27 -9.447 3.879 -9.757 1.00 0.00 C ATOM 403 C HIS A 27 -10.631 4.089 -8.809 1.00 0.00 C ATOM 404 O HIS A 27 -11.776 4.091 -9.217 1.00 0.00 O ATOM 405 CB HIS A 27 -9.654 2.630 -10.615 1.00 0.00 C ATOM 406 CG HIS A 27 -9.302 2.940 -12.044 1.00 0.00 C ATOM 407 ND1 HIS A 27 -10.245 3.383 -12.959 1.00 0.00 N ATOM 408 CD2 HIS A 27 -8.114 2.880 -12.730 1.00 0.00 C ATOM 409 CE1 HIS A 27 -9.614 3.571 -14.133 1.00 0.00 C ATOM 410 NE2 HIS A 27 -8.314 3.278 -14.049 1.00 0.00 N ATOM 0 H HIS A 27 -8.359 3.054 -8.119 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.361 4.773 -10.375 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.033 1.814 -10.245 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -10.690 2.297 -10.548 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.168 2.571 -12.310 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.100 3.917 -15.033 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.617 3.334 -14.792 1.00 0.00 H new ATOM 418 N GLY A 28 -10.359 4.261 -7.542 1.00 0.00 N ATOM 419 CA GLY A 28 -11.458 4.465 -6.556 1.00 0.00 C ATOM 420 C GLY A 28 -10.902 4.290 -5.141 1.00 0.00 C ATOM 421 O GLY A 28 -10.297 5.187 -4.587 1.00 0.00 O ATOM 0 H GLY A 28 -9.418 4.269 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.886 5.461 -6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.261 3.750 -6.735 1.00 0.00 H new ATOM 425 N ASP A 29 -11.091 3.139 -4.553 1.00 0.00 N ATOM 426 CA ASP A 29 -10.561 2.910 -3.178 1.00 0.00 C ATOM 427 C ASP A 29 -9.799 1.597 -3.121 1.00 0.00 C ATOM 428 O ASP A 29 -9.963 0.806 -2.213 1.00 0.00 O ATOM 429 CB ASP A 29 -11.787 2.867 -2.267 1.00 0.00 C ATOM 430 CG ASP A 29 -12.718 4.033 -2.608 1.00 0.00 C ATOM 431 OD1 ASP A 29 -12.380 5.154 -2.266 1.00 0.00 O ATOM 432 OD2 ASP A 29 -13.752 3.785 -3.207 1.00 0.00 O ATOM 0 H ASP A 29 -11.588 2.349 -4.964 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.866 3.692 -2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.312 1.920 -2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.480 2.927 -1.223 1.00 0.00 H new ATOM 437 N GLY A 30 -8.977 1.347 -4.101 1.00 0.00 N ATOM 438 CA GLY A 30 -8.218 0.073 -4.118 1.00 0.00 C ATOM 439 C GLY A 30 -9.168 -1.044 -4.542 1.00 0.00 C ATOM 440 O GLY A 30 -8.753 -2.147 -4.838 1.00 0.00 O ATOM 0 H GLY A 30 -8.800 1.971 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.378 0.140 -4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.803 -0.135 -3.132 1.00 0.00 H new ATOM 444 N GLN A 31 -10.446 -0.760 -4.595 1.00 0.00 N ATOM 445 CA GLN A 31 -11.416 -1.802 -5.028 1.00 0.00 C ATOM 446 C GLN A 31 -11.609 -1.693 -6.535 1.00 0.00 C ATOM 447 O GLN A 31 -11.672 -2.680 -7.241 1.00 0.00 O ATOM 448 CB GLN A 31 -12.712 -1.489 -4.280 1.00 0.00 C ATOM 449 CG GLN A 31 -12.394 -1.203 -2.812 1.00 0.00 C ATOM 450 CD GLN A 31 -13.557 -1.669 -1.936 1.00 0.00 C ATOM 451 OE1 GLN A 31 -14.366 -2.472 -2.356 1.00 0.00 O ATOM 452 NE2 GLN A 31 -13.676 -1.196 -0.725 1.00 0.00 N ATOM 0 H GLN A 31 -10.854 0.144 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.081 -2.816 -4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.206 -0.629 -4.731 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.402 -2.330 -4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.478 -1.717 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.221 -0.136 -2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.997 -0.522 -0.372 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.448 -1.501 -0.132 1.00 0.00 H new ATOM 461 N SER A 32 -11.677 -0.491 -7.032 1.00 0.00 N ATOM 462 CA SER A 32 -11.835 -0.298 -8.495 1.00 0.00 C ATOM 463 C SER A 32 -10.472 -0.453 -9.169 1.00 0.00 C ATOM 464 O SER A 32 -10.354 -0.394 -10.377 1.00 0.00 O ATOM 465 CB SER A 32 -12.362 1.128 -8.655 1.00 0.00 C ATOM 466 OG SER A 32 -13.351 1.375 -7.665 1.00 0.00 O ATOM 0 H SER A 32 -11.630 0.368 -6.484 1.00 0.00 H new ATOM 0 HA SER A 32 -12.510 -1.023 -8.950 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.545 1.843 -8.557 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.785 1.262 -9.650 1.00 0.00 H new ATOM 0 HG SER A 32 -13.691 2.289 -7.763 1.00 0.00 H new ATOM 472 N TYR A 33 -9.435 -0.656 -8.394 1.00 0.00 N ATOM 473 CA TYR A 33 -8.084 -0.820 -8.999 1.00 0.00 C ATOM 474 C TYR A 33 -8.064 -2.055 -9.901 1.00 0.00 C ATOM 475 O TYR A 33 -8.231 -3.170 -9.448 1.00 0.00 O ATOM 476 CB TYR A 33 -7.132 -1.006 -7.818 1.00 0.00 C ATOM 477 CG TYR A 33 -5.709 -0.863 -8.300 1.00 0.00 C ATOM 478 CD1 TYR A 33 -5.357 0.217 -9.117 1.00 0.00 C ATOM 479 CD2 TYR A 33 -4.744 -1.809 -7.935 1.00 0.00 C ATOM 480 CE1 TYR A 33 -4.040 0.353 -9.570 1.00 0.00 C ATOM 481 CE2 TYR A 33 -3.426 -1.674 -8.388 1.00 0.00 C ATOM 482 CZ TYR A 33 -3.074 -0.593 -9.206 1.00 0.00 C ATOM 483 OH TYR A 33 -1.776 -0.459 -9.653 1.00 0.00 O ATOM 0 H TYR A 33 -9.468 -0.714 -7.376 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.801 0.035 -9.614 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.343 -0.266 -7.046 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.279 -1.988 -7.368 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.102 0.946 -9.398 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.016 -2.643 -7.304 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.769 1.187 -10.200 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.681 -2.403 -8.107 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.568 0.491 -9.775 1.00 0.00 H new ATOM 493 N ARG A 34 -7.864 -1.865 -11.175 1.00 0.00 N ATOM 494 CA ARG A 34 -7.836 -3.027 -12.106 1.00 0.00 C ATOM 495 C ARG A 34 -6.400 -3.305 -12.557 1.00 0.00 C ATOM 496 O ARG A 34 -5.842 -2.583 -13.359 1.00 0.00 O ATOM 497 CB ARG A 34 -8.700 -2.601 -13.292 1.00 0.00 C ATOM 498 CG ARG A 34 -10.111 -3.169 -13.126 1.00 0.00 C ATOM 499 CD ARG A 34 -10.558 -3.814 -14.439 1.00 0.00 C ATOM 500 NE ARG A 34 -12.025 -4.019 -14.288 1.00 0.00 N ATOM 501 CZ ARG A 34 -12.668 -4.775 -15.135 1.00 0.00 C ATOM 502 NH1 ARG A 34 -12.094 -5.140 -16.249 1.00 0.00 N ATOM 503 NH2 ARG A 34 -13.884 -5.168 -14.868 1.00 0.00 N ATOM 0 H ARG A 34 -7.719 -0.955 -11.612 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.205 -3.941 -11.641 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.739 -1.514 -13.355 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.260 -2.958 -14.223 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.126 -3.906 -12.323 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.803 -2.376 -12.844 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.335 -3.171 -15.290 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.043 -4.759 -14.610 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.527 -3.569 -13.523 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.143 -4.834 -16.457 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.596 -5.731 -16.912 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.332 -4.884 -13.997 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.386 -5.759 -15.531 1.00 0.00 H new ATOM 517 N GLY A 35 -5.797 -4.345 -12.049 1.00 0.00 N ATOM 518 CA GLY A 35 -4.398 -4.663 -12.452 1.00 0.00 C ATOM 519 C GLY A 35 -3.713 -5.474 -11.350 1.00 0.00 C ATOM 520 O GLY A 35 -4.357 -6.096 -10.528 1.00 0.00 O ATOM 0 H GLY A 35 -6.212 -4.987 -11.374 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.398 -5.227 -13.385 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.845 -3.742 -12.636 1.00 0.00 H new ATOM 524 N SER A 36 -2.408 -5.472 -11.331 1.00 0.00 N ATOM 525 CA SER A 36 -1.669 -6.242 -10.289 1.00 0.00 C ATOM 526 C SER A 36 -0.414 -5.477 -9.866 1.00 0.00 C ATOM 527 O SER A 36 0.693 -5.960 -9.997 1.00 0.00 O ATOM 528 CB SER A 36 -1.290 -7.556 -10.969 1.00 0.00 C ATOM 529 OG SER A 36 -0.487 -7.279 -12.110 1.00 0.00 O ATOM 0 H SER A 36 -1.819 -4.968 -11.995 1.00 0.00 H new ATOM 0 HA SER A 36 -2.263 -6.404 -9.390 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.746 -8.195 -10.274 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.188 -8.098 -11.265 1.00 0.00 H new ATOM 0 HG SER A 36 0.342 -6.838 -11.828 1.00 0.00 H new ATOM 535 N PHE A 37 -0.579 -4.285 -9.364 1.00 0.00 N ATOM 536 CA PHE A 37 0.605 -3.488 -8.938 1.00 0.00 C ATOM 537 C PHE A 37 0.967 -3.793 -7.488 1.00 0.00 C ATOM 538 O PHE A 37 0.864 -2.945 -6.624 1.00 0.00 O ATOM 539 CB PHE A 37 0.181 -2.028 -9.089 1.00 0.00 C ATOM 540 CG PHE A 37 1.381 -1.135 -8.885 1.00 0.00 C ATOM 541 CD1 PHE A 37 2.612 -1.478 -9.456 1.00 0.00 C ATOM 542 CD2 PHE A 37 1.264 0.035 -8.125 1.00 0.00 C ATOM 543 CE1 PHE A 37 3.726 -0.651 -9.267 1.00 0.00 C ATOM 544 CE2 PHE A 37 2.378 0.861 -7.936 1.00 0.00 C ATOM 545 CZ PHE A 37 3.609 0.518 -8.507 1.00 0.00 C ATOM 0 H PHE A 37 -1.481 -3.829 -9.230 1.00 0.00 H new ATOM 0 HA PHE A 37 1.487 -3.721 -9.535 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.246 -1.862 -10.078 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.594 -1.786 -8.362 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.703 -2.380 -10.042 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.314 0.300 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.676 -0.915 -9.708 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.288 1.763 -7.349 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.468 1.156 -8.361 1.00 0.00 H new ATOM 555 N SER A 38 1.403 -4.990 -7.211 1.00 0.00 N ATOM 556 CA SER A 38 1.784 -5.339 -5.814 1.00 0.00 C ATOM 557 C SER A 38 3.048 -4.586 -5.375 1.00 0.00 C ATOM 558 O SER A 38 3.947 -5.164 -4.798 1.00 0.00 O ATOM 559 CB SER A 38 2.064 -6.832 -5.855 1.00 0.00 C ATOM 560 OG SER A 38 2.227 -7.309 -4.527 1.00 0.00 O ATOM 0 H SER A 38 1.512 -5.742 -7.892 1.00 0.00 H new ATOM 0 HA SER A 38 1.000 -5.070 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.243 -7.356 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.963 -7.031 -6.439 1.00 0.00 H new ATOM 0 HG SER A 38 1.347 -7.474 -4.129 1.00 0.00 H new ATOM 566 N THR A 39 3.129 -3.308 -5.629 1.00 0.00 N ATOM 567 CA THR A 39 4.337 -2.547 -5.207 1.00 0.00 C ATOM 568 C THR A 39 3.979 -1.611 -4.052 1.00 0.00 C ATOM 569 O THR A 39 2.982 -0.918 -4.089 1.00 0.00 O ATOM 570 CB THR A 39 4.753 -1.748 -6.442 1.00 0.00 C ATOM 571 OG1 THR A 39 4.598 -2.558 -7.601 1.00 0.00 O ATOM 572 CG2 THR A 39 6.214 -1.314 -6.303 1.00 0.00 C ATOM 0 H THR A 39 2.414 -2.761 -6.108 1.00 0.00 H new ATOM 0 HA THR A 39 5.141 -3.195 -4.858 1.00 0.00 H new ATOM 0 HB THR A 39 4.125 -0.862 -6.534 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.869 -2.204 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.510 -0.744 -7.184 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.326 -0.692 -5.415 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.848 -2.196 -6.211 1.00 0.00 H new ATOM 580 N THR A 40 4.778 -1.589 -3.022 1.00 0.00 N ATOM 581 CA THR A 40 4.469 -0.702 -1.866 1.00 0.00 C ATOM 582 C THR A 40 5.099 0.680 -2.065 1.00 0.00 C ATOM 583 O THR A 40 6.038 0.847 -2.818 1.00 0.00 O ATOM 584 CB THR A 40 5.080 -1.405 -0.652 1.00 0.00 C ATOM 585 OG1 THR A 40 6.475 -1.577 -0.860 1.00 0.00 O ATOM 586 CG2 THR A 40 4.418 -2.771 -0.461 1.00 0.00 C ATOM 0 H THR A 40 5.629 -2.145 -2.931 1.00 0.00 H new ATOM 0 HA THR A 40 3.397 -0.541 -1.747 1.00 0.00 H new ATOM 0 HB THR A 40 4.916 -0.799 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.954 -1.403 -0.023 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.855 -3.269 0.404 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.348 -2.638 -0.301 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.578 -3.381 -1.350 1.00 0.00 H new ATOM 594 N VAL A 41 4.580 1.669 -1.391 1.00 0.00 N ATOM 595 CA VAL A 41 5.129 3.047 -1.527 1.00 0.00 C ATOM 596 C VAL A 41 6.657 3.020 -1.456 1.00 0.00 C ATOM 597 O VAL A 41 7.337 3.616 -2.267 1.00 0.00 O ATOM 598 CB VAL A 41 4.547 3.814 -0.338 1.00 0.00 C ATOM 599 CG1 VAL A 41 5.326 5.115 -0.134 1.00 0.00 C ATOM 600 CG2 VAL A 41 3.079 4.141 -0.615 1.00 0.00 C ATOM 0 H VAL A 41 3.794 1.581 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 41 4.869 3.507 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 41 4.624 3.201 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.909 5.659 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.373 4.885 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.251 5.729 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.662 4.688 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.006 4.753 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.521 3.216 -0.760 1.00 0.00 H new ATOM 610 N THR A 42 7.203 2.332 -0.490 1.00 0.00 N ATOM 611 CA THR A 42 8.687 2.267 -0.368 1.00 0.00 C ATOM 612 C THR A 42 9.294 1.657 -1.633 1.00 0.00 C ATOM 613 O THR A 42 10.485 1.736 -1.863 1.00 0.00 O ATOM 614 CB THR A 42 8.946 1.366 0.841 1.00 0.00 C ATOM 615 OG1 THR A 42 8.291 1.905 1.982 1.00 0.00 O ATOM 616 CG2 THR A 42 10.450 1.282 1.106 1.00 0.00 C ATOM 0 H THR A 42 6.686 1.813 0.219 1.00 0.00 H new ATOM 0 HA THR A 42 9.136 3.253 -0.244 1.00 0.00 H new ATOM 0 HB THR A 42 8.559 0.367 0.638 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.731 1.214 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.632 0.640 1.968 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.951 0.867 0.231 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.840 2.280 1.308 1.00 0.00 H new ATOM 624 N GLY A 43 8.484 1.049 -2.456 1.00 0.00 N ATOM 625 CA GLY A 43 9.014 0.434 -3.706 1.00 0.00 C ATOM 626 C GLY A 43 9.112 -1.083 -3.529 1.00 0.00 C ATOM 627 O GLY A 43 9.411 -1.808 -4.458 1.00 0.00 O ATOM 0 H GLY A 43 7.478 0.952 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.360 0.671 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.995 0.847 -3.939 1.00 0.00 H new ATOM 631 N ARG A 44 8.863 -1.569 -2.344 1.00 0.00 N ATOM 632 CA ARG A 44 8.943 -3.039 -2.108 1.00 0.00 C ATOM 633 C ARG A 44 7.757 -3.748 -2.763 1.00 0.00 C ATOM 634 O ARG A 44 7.041 -3.179 -3.564 1.00 0.00 O ATOM 635 CB ARG A 44 8.887 -3.201 -0.588 1.00 0.00 C ATOM 636 CG ARG A 44 9.855 -4.305 -0.155 1.00 0.00 C ATOM 637 CD ARG A 44 9.303 -5.006 1.088 1.00 0.00 C ATOM 638 NE ARG A 44 9.502 -4.033 2.197 1.00 0.00 N ATOM 639 CZ ARG A 44 10.708 -3.741 2.605 1.00 0.00 C ATOM 640 NH1 ARG A 44 11.737 -4.389 2.128 1.00 0.00 N ATOM 641 NH2 ARG A 44 10.885 -2.797 3.489 1.00 0.00 N ATOM 0 H ARG A 44 8.608 -1.012 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 44 9.847 -3.474 -2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.150 -2.261 -0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.873 -3.449 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.988 -5.025 -0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.836 -3.881 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.249 -5.255 0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.831 -5.940 1.282 1.00 0.00 H new ATOM 0 HE ARG A 44 8.695 -3.593 2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.600 -5.125 1.435 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.678 -4.159 2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.082 -2.289 3.860 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.826 -2.568 3.809 1.00 0.00 H new ATOM 655 N THR A 45 7.545 -4.989 -2.426 1.00 0.00 N ATOM 656 CA THR A 45 6.408 -5.745 -3.022 1.00 0.00 C ATOM 657 C THR A 45 5.499 -6.274 -1.911 1.00 0.00 C ATOM 658 O THR A 45 5.952 -6.604 -0.833 1.00 0.00 O ATOM 659 CB THR A 45 7.057 -6.900 -3.785 1.00 0.00 C ATOM 660 OG1 THR A 45 7.845 -6.379 -4.846 1.00 0.00 O ATOM 661 CG2 THR A 45 5.970 -7.813 -4.353 1.00 0.00 C ATOM 0 H THR A 45 8.112 -5.515 -1.761 1.00 0.00 H new ATOM 0 HA THR A 45 5.791 -5.127 -3.674 1.00 0.00 H new ATOM 0 HB THR A 45 7.691 -7.473 -3.109 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.264 -7.117 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.434 -8.636 -4.897 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.367 -8.211 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.334 -7.243 -5.030 1.00 0.00 H new ATOM 669 N CYS A 46 4.219 -6.345 -2.154 1.00 0.00 N ATOM 670 CA CYS A 46 3.298 -6.836 -1.099 1.00 0.00 C ATOM 671 C CYS A 46 3.396 -8.358 -0.955 1.00 0.00 C ATOM 672 O CYS A 46 3.832 -9.053 -1.851 1.00 0.00 O ATOM 673 CB CYS A 46 1.898 -6.424 -1.561 1.00 0.00 C ATOM 674 SG CYS A 46 0.650 -7.314 -0.593 1.00 0.00 S ATOM 0 H CYS A 46 3.775 -6.085 -3.035 1.00 0.00 H new ATOM 0 HA CYS A 46 3.542 -6.418 -0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.767 -5.349 -1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.775 -6.644 -2.621 1.00 0.00 H new ATOM 679 N GLN A 47 2.984 -8.877 0.171 1.00 0.00 N ATOM 680 CA GLN A 47 3.035 -10.352 0.381 1.00 0.00 C ATOM 681 C GLN A 47 1.706 -10.984 -0.050 1.00 0.00 C ATOM 682 O GLN A 47 0.649 -10.426 0.166 1.00 0.00 O ATOM 683 CB GLN A 47 3.255 -10.531 1.887 1.00 0.00 C ATOM 684 CG GLN A 47 2.801 -11.928 2.326 1.00 0.00 C ATOM 685 CD GLN A 47 3.731 -12.982 1.721 1.00 0.00 C ATOM 686 OE1 GLN A 47 3.399 -13.606 0.733 1.00 0.00 O ATOM 687 NE2 GLN A 47 4.889 -13.209 2.278 1.00 0.00 N ATOM 0 H GLN A 47 2.614 -8.341 0.956 1.00 0.00 H new ATOM 0 HA GLN A 47 3.822 -10.831 -0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.309 -10.391 2.127 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.699 -9.771 2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.811 -12.000 3.414 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.775 -12.106 2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.167 -12.685 3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.516 -13.911 1.884 1.00 0.00 H new ATOM 696 N SER A 48 1.746 -12.147 -0.639 1.00 0.00 N ATOM 697 CA SER A 48 0.482 -12.809 -1.057 1.00 0.00 C ATOM 698 C SER A 48 -0.543 -12.699 0.070 1.00 0.00 C ATOM 699 O SER A 48 -0.205 -12.791 1.234 1.00 0.00 O ATOM 700 CB SER A 48 0.860 -14.270 -1.297 1.00 0.00 C ATOM 701 OG SER A 48 1.757 -14.348 -2.397 1.00 0.00 O ATOM 0 H SER A 48 2.599 -12.666 -0.848 1.00 0.00 H new ATOM 0 HA SER A 48 0.042 -12.356 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.324 -14.689 -0.404 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.034 -14.860 -1.499 1.00 0.00 H new ATOM 0 HG SER A 48 2.003 -15.284 -2.553 1.00 0.00 H new ATOM 707 N TRP A 49 -1.791 -12.510 -0.253 1.00 0.00 N ATOM 708 CA TRP A 49 -2.812 -12.405 0.822 1.00 0.00 C ATOM 709 C TRP A 49 -2.892 -13.738 1.562 1.00 0.00 C ATOM 710 O TRP A 49 -3.187 -13.796 2.736 1.00 0.00 O ATOM 711 CB TRP A 49 -4.129 -12.101 0.109 1.00 0.00 C ATOM 712 CG TRP A 49 -4.017 -10.808 -0.636 1.00 0.00 C ATOM 713 CD1 TRP A 49 -3.661 -10.683 -1.931 1.00 0.00 C ATOM 714 CD2 TRP A 49 -4.259 -9.457 -0.155 1.00 0.00 C ATOM 715 NE1 TRP A 49 -3.678 -9.346 -2.270 1.00 0.00 N ATOM 716 CE2 TRP A 49 -4.036 -8.551 -1.210 1.00 0.00 C ATOM 717 CE3 TRP A 49 -4.647 -8.944 1.081 1.00 0.00 C ATOM 718 CZ2 TRP A 49 -4.193 -7.178 -1.043 1.00 0.00 C ATOM 719 CZ3 TRP A 49 -4.808 -7.561 1.264 1.00 0.00 C ATOM 720 CH2 TRP A 49 -4.581 -6.678 0.201 1.00 0.00 C ATOM 0 H TRP A 49 -2.145 -12.424 -1.206 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.576 -11.632 1.554 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -4.374 -12.908 -0.581 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -4.941 -12.044 0.834 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -3.405 -11.496 -2.594 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.451 -8.990 -3.199 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.826 -9.617 1.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.016 -6.505 -1.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.108 -7.177 2.228 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.706 -5.615 0.343 1.00 0.00 H new ATOM 731 N SER A 50 -2.613 -14.811 0.874 1.00 0.00 N ATOM 732 CA SER A 50 -2.654 -16.156 1.516 1.00 0.00 C ATOM 733 C SER A 50 -1.391 -16.399 2.357 1.00 0.00 C ATOM 734 O SER A 50 -1.097 -17.515 2.738 1.00 0.00 O ATOM 735 CB SER A 50 -2.714 -17.134 0.345 1.00 0.00 C ATOM 736 OG SER A 50 -2.962 -18.445 0.837 1.00 0.00 O ATOM 0 H SER A 50 -2.356 -14.814 -0.113 1.00 0.00 H new ATOM 0 HA SER A 50 -3.500 -16.264 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.501 -16.839 -0.349 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.776 -17.113 -0.209 1.00 0.00 H new ATOM 0 HG SER A 50 -2.439 -18.593 1.652 1.00 0.00 H new ATOM 742 N SER A 51 -0.645 -15.368 2.653 1.00 0.00 N ATOM 743 CA SER A 51 0.588 -15.547 3.468 1.00 0.00 C ATOM 744 C SER A 51 0.205 -15.915 4.898 1.00 0.00 C ATOM 745 O SER A 51 -0.624 -15.274 5.511 1.00 0.00 O ATOM 746 CB SER A 51 1.291 -14.192 3.430 1.00 0.00 C ATOM 747 OG SER A 51 0.323 -13.158 3.553 1.00 0.00 O ATOM 0 H SER A 51 -0.838 -14.409 2.364 1.00 0.00 H new ATOM 0 HA SER A 51 1.230 -16.342 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.018 -14.124 4.239 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.842 -14.081 2.496 1.00 0.00 H new ATOM 0 HG SER A 51 0.067 -12.842 2.661 1.00 0.00 H new ATOM 753 N MET A 52 0.785 -16.952 5.427 1.00 0.00 N ATOM 754 CA MET A 52 0.437 -17.371 6.814 1.00 0.00 C ATOM 755 C MET A 52 1.709 -17.490 7.660 1.00 0.00 C ATOM 756 O MET A 52 1.663 -17.850 8.819 1.00 0.00 O ATOM 757 CB MET A 52 -0.232 -18.741 6.659 1.00 0.00 C ATOM 758 CG MET A 52 -1.138 -18.747 5.426 1.00 0.00 C ATOM 759 SD MET A 52 -2.796 -19.267 5.901 1.00 0.00 S ATOM 760 CE MET A 52 -3.429 -17.599 6.160 1.00 0.00 C ATOM 0 H MET A 52 1.485 -17.529 4.961 1.00 0.00 H new ATOM 0 HA MET A 52 -0.215 -16.654 7.313 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.528 -19.517 6.565 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.816 -18.972 7.550 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.171 -17.753 4.981 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.736 -19.422 4.670 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.374 -17.648 6.701 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.709 -17.022 6.740 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.588 -17.116 5.196 1.00 0.00 H new ATOM 770 N THR A 53 2.845 -17.195 7.085 1.00 0.00 N ATOM 771 CA THR A 53 4.118 -17.299 7.856 1.00 0.00 C ATOM 772 C THR A 53 4.439 -15.965 8.542 1.00 0.00 C ATOM 773 O THR A 53 4.433 -15.883 9.754 1.00 0.00 O ATOM 774 CB THR A 53 5.189 -17.656 6.822 1.00 0.00 C ATOM 775 OG1 THR A 53 4.679 -17.429 5.516 1.00 0.00 O ATOM 776 CG2 THR A 53 5.577 -19.128 6.971 1.00 0.00 C ATOM 0 H THR A 53 2.946 -16.887 6.118 1.00 0.00 H new ATOM 0 HA THR A 53 4.059 -18.048 8.646 1.00 0.00 H new ATOM 0 HB THR A 53 6.069 -17.033 6.982 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.364 -17.656 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.339 -19.380 6.234 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.970 -19.301 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.699 -19.754 6.813 1.00 0.00 H new ATOM 784 N PRO A 54 4.707 -14.956 7.750 1.00 0.00 N ATOM 785 CA PRO A 54 5.025 -13.624 8.317 1.00 0.00 C ATOM 786 C PRO A 54 3.758 -12.974 8.882 1.00 0.00 C ATOM 787 O PRO A 54 3.403 -13.179 10.026 1.00 0.00 O ATOM 788 CB PRO A 54 5.555 -12.839 7.120 1.00 0.00 C ATOM 789 CG PRO A 54 4.951 -13.502 5.923 1.00 0.00 C ATOM 790 CD PRO A 54 4.740 -14.953 6.280 1.00 0.00 C ATOM 0 HA PRO A 54 5.740 -13.665 9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.266 -11.790 7.177 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.644 -12.868 7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.006 -13.029 5.657 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.608 -13.409 5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.811 -15.337 5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.546 -15.580 5.897 1.00 0.00 H new ATOM 798 N HIS A 55 3.074 -12.191 8.092 1.00 0.00 N ATOM 799 CA HIS A 55 1.830 -11.527 8.594 1.00 0.00 C ATOM 800 C HIS A 55 0.598 -12.294 8.112 1.00 0.00 C ATOM 801 O HIS A 55 -0.019 -11.945 7.125 1.00 0.00 O ATOM 802 CB HIS A 55 1.837 -10.106 8.007 1.00 0.00 C ATOM 803 CG HIS A 55 3.247 -9.689 7.691 1.00 0.00 C ATOM 804 ND1 HIS A 55 3.847 -10.004 6.485 1.00 0.00 N ATOM 805 CD2 HIS A 55 4.200 -9.032 8.426 1.00 0.00 C ATOM 806 CE1 HIS A 55 5.108 -9.549 6.529 1.00 0.00 C ATOM 807 NE2 HIS A 55 5.378 -8.947 7.691 1.00 0.00 N ATOM 0 H HIS A 55 3.319 -11.981 7.124 1.00 0.00 H new ATOM 0 HA HIS A 55 1.798 -11.505 9.683 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.228 -10.073 7.104 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.393 -9.408 8.716 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.058 -8.641 9.423 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.819 -9.656 5.723 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.258 -8.518 7.977 1.00 0.00 H new ATOM 815 N TRP A 56 0.236 -13.338 8.804 1.00 0.00 N ATOM 816 CA TRP A 56 -0.955 -14.132 8.393 1.00 0.00 C ATOM 817 C TRP A 56 -2.160 -13.210 8.180 1.00 0.00 C ATOM 818 O TRP A 56 -2.400 -12.299 8.947 1.00 0.00 O ATOM 819 CB TRP A 56 -1.203 -15.090 9.564 1.00 0.00 C ATOM 820 CG TRP A 56 -2.327 -16.023 9.234 1.00 0.00 C ATOM 821 CD1 TRP A 56 -3.543 -15.647 8.799 1.00 0.00 C ATOM 822 CD2 TRP A 56 -2.360 -17.473 9.304 1.00 0.00 C ATOM 823 NE1 TRP A 56 -4.319 -16.760 8.597 1.00 0.00 N ATOM 824 CE2 TRP A 56 -3.639 -17.915 8.894 1.00 0.00 C ATOM 825 CE3 TRP A 56 -1.420 -18.437 9.678 1.00 0.00 C ATOM 826 CZ2 TRP A 56 -3.972 -19.264 8.854 1.00 0.00 C ATOM 827 CZ3 TRP A 56 -1.751 -19.799 9.636 1.00 0.00 C ATOM 828 CH2 TRP A 56 -3.024 -20.213 9.225 1.00 0.00 C ATOM 0 H TRP A 56 0.715 -13.676 9.639 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.800 -14.664 7.454 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -0.298 -15.659 9.777 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.442 -14.523 10.464 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.859 -14.628 8.634 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.284 -16.733 8.266 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.435 -18.132 10.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -4.957 -19.573 8.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.016 -20.536 9.924 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.269 -21.264 9.196 1.00 0.00 H new ATOM 839 N HIS A 57 -2.931 -13.449 7.149 1.00 0.00 N ATOM 840 CA HIS A 57 -4.129 -12.594 6.901 1.00 0.00 C ATOM 841 C HIS A 57 -5.408 -13.448 6.918 1.00 0.00 C ATOM 842 O HIS A 57 -5.380 -14.622 7.229 1.00 0.00 O ATOM 843 CB HIS A 57 -3.878 -11.950 5.522 1.00 0.00 C ATOM 844 CG HIS A 57 -4.704 -12.616 4.445 1.00 0.00 C ATOM 845 ND1 HIS A 57 -4.900 -13.990 4.401 1.00 0.00 N ATOM 846 CD2 HIS A 57 -5.390 -12.107 3.371 1.00 0.00 C ATOM 847 CE1 HIS A 57 -5.675 -14.254 3.334 1.00 0.00 C ATOM 848 NE2 HIS A 57 -6.003 -13.142 2.671 1.00 0.00 N ATOM 0 H HIS A 57 -2.783 -14.197 6.471 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.272 -11.833 7.668 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.121 -10.888 5.565 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.820 -12.025 5.270 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -4.525 -14.674 5.058 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.446 -11.061 3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.994 -15.245 3.048 1.00 0.00 H new ATOM 856 N GLN A 58 -6.527 -12.867 6.578 1.00 0.00 N ATOM 857 CA GLN A 58 -7.798 -13.647 6.569 1.00 0.00 C ATOM 858 C GLN A 58 -8.865 -12.914 5.752 1.00 0.00 C ATOM 859 O GLN A 58 -10.039 -12.961 6.059 1.00 0.00 O ATOM 860 CB GLN A 58 -8.217 -13.742 8.036 1.00 0.00 C ATOM 861 CG GLN A 58 -8.433 -12.335 8.598 1.00 0.00 C ATOM 862 CD GLN A 58 -7.301 -11.993 9.568 1.00 0.00 C ATOM 863 OE1 GLN A 58 -6.762 -12.863 10.222 1.00 0.00 O ATOM 864 NE2 GLN A 58 -6.916 -10.751 9.690 1.00 0.00 N ATOM 0 H GLN A 58 -6.616 -11.888 6.307 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.674 -14.631 6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.133 -14.326 8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.450 -14.261 8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.462 -11.608 7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.394 -12.280 9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.369 -10.020 9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.163 -10.512 10.335 1.00 0.00 H new ATOM 873 N ARG A 59 -8.465 -12.239 4.710 1.00 0.00 N ATOM 874 CA ARG A 59 -9.455 -11.505 3.871 1.00 0.00 C ATOM 875 C ARG A 59 -9.108 -11.671 2.389 1.00 0.00 C ATOM 876 O ARG A 59 -9.435 -10.839 1.566 1.00 0.00 O ATOM 877 CB ARG A 59 -9.330 -10.043 4.296 1.00 0.00 C ATOM 878 CG ARG A 59 -9.776 -9.898 5.752 1.00 0.00 C ATOM 879 CD ARG A 59 -10.691 -8.679 5.890 1.00 0.00 C ATOM 880 NE ARG A 59 -11.414 -8.885 7.176 1.00 0.00 N ATOM 881 CZ ARG A 59 -12.126 -7.918 7.687 1.00 0.00 C ATOM 882 NH1 ARG A 59 -11.570 -6.767 7.951 1.00 0.00 N ATOM 883 NH2 ARG A 59 -13.393 -8.102 7.936 1.00 0.00 N ATOM 0 H ARG A 59 -7.495 -12.164 4.403 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.471 -11.877 4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.299 -9.707 4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.942 -9.412 3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.301 -10.798 6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.906 -9.788 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.116 -7.753 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.386 -8.610 5.053 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.353 -9.782 7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.579 -6.623 7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.127 -6.011 8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.828 -9.002 7.731 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.949 -7.346 8.335 1.00 0.00 H new ATOM 897 N THR A 60 -8.448 -12.743 2.047 1.00 0.00 N ATOM 898 CA THR A 60 -8.076 -12.973 0.622 1.00 0.00 C ATOM 899 C THR A 60 -9.271 -12.747 -0.287 1.00 0.00 C ATOM 900 O THR A 60 -10.367 -12.467 0.155 1.00 0.00 O ATOM 901 CB THR A 60 -7.679 -14.444 0.542 1.00 0.00 C ATOM 902 OG1 THR A 60 -7.365 -14.775 -0.803 1.00 0.00 O ATOM 903 CG2 THR A 60 -8.844 -15.310 1.024 1.00 0.00 C ATOM 0 H THR A 60 -8.149 -13.472 2.695 1.00 0.00 H new ATOM 0 HA THR A 60 -7.281 -12.296 0.310 1.00 0.00 H new ATOM 0 HB THR A 60 -6.808 -14.623 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.108 -15.719 -0.856 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.563 -16.362 0.968 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.086 -15.053 2.055 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.715 -15.133 0.393 1.00 0.00 H new ATOM 911 N THR A 61 -9.070 -12.917 -1.557 1.00 0.00 N ATOM 912 CA THR A 61 -10.193 -12.769 -2.507 1.00 0.00 C ATOM 913 C THR A 61 -11.187 -13.899 -2.244 1.00 0.00 C ATOM 914 O THR A 61 -12.305 -13.882 -2.718 1.00 0.00 O ATOM 915 CB THR A 61 -9.566 -12.913 -3.891 1.00 0.00 C ATOM 916 OG1 THR A 61 -10.523 -12.572 -4.885 1.00 0.00 O ATOM 917 CG2 THR A 61 -9.109 -14.357 -4.085 1.00 0.00 C ATOM 0 H THR A 61 -8.172 -13.153 -1.979 1.00 0.00 H new ATOM 0 HA THR A 61 -10.721 -11.820 -2.413 1.00 0.00 H new ATOM 0 HB THR A 61 -8.709 -12.245 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.554 -13.277 -5.565 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.660 -14.467 -5.072 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.374 -14.612 -3.322 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.966 -15.025 -4.000 1.00 0.00 H new ATOM 925 N GLU A 62 -10.785 -14.884 -1.472 1.00 0.00 N ATOM 926 CA GLU A 62 -11.704 -16.001 -1.170 1.00 0.00 C ATOM 927 C GLU A 62 -12.878 -15.452 -0.384 1.00 0.00 C ATOM 928 O GLU A 62 -13.991 -15.933 -0.476 1.00 0.00 O ATOM 929 CB GLU A 62 -10.892 -16.985 -0.324 1.00 0.00 C ATOM 930 CG GLU A 62 -11.596 -18.344 -0.303 1.00 0.00 C ATOM 931 CD GLU A 62 -11.745 -18.865 -1.734 1.00 0.00 C ATOM 932 OE1 GLU A 62 -10.792 -18.751 -2.487 1.00 0.00 O ATOM 933 OE2 GLU A 62 -12.809 -19.370 -2.052 1.00 0.00 O ATOM 0 H GLU A 62 -9.861 -14.952 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.093 -16.491 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.888 -17.090 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.783 -16.604 0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.023 -19.053 0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.576 -18.250 0.165 1.00 0.00 H new ATOM 940 N TYR A 63 -12.637 -14.425 0.378 1.00 0.00 N ATOM 941 CA TYR A 63 -13.736 -13.819 1.156 1.00 0.00 C ATOM 942 C TYR A 63 -14.547 -12.899 0.243 1.00 0.00 C ATOM 943 O TYR A 63 -15.581 -12.384 0.620 1.00 0.00 O ATOM 944 CB TYR A 63 -13.058 -13.023 2.271 1.00 0.00 C ATOM 945 CG TYR A 63 -13.454 -13.597 3.610 1.00 0.00 C ATOM 946 CD1 TYR A 63 -14.600 -13.128 4.263 1.00 0.00 C ATOM 947 CD2 TYR A 63 -12.674 -14.599 4.199 1.00 0.00 C ATOM 948 CE1 TYR A 63 -14.966 -13.661 5.505 1.00 0.00 C ATOM 949 CE2 TYR A 63 -13.040 -15.133 5.441 1.00 0.00 C ATOM 950 CZ TYR A 63 -14.186 -14.664 6.094 1.00 0.00 C ATOM 951 OH TYR A 63 -14.547 -15.189 7.319 1.00 0.00 O ATOM 0 H TYR A 63 -11.725 -13.983 0.492 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.421 -14.561 1.567 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -11.975 -13.061 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -13.349 -11.974 2.212 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -15.202 -12.355 3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -11.790 -14.960 3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -15.850 -13.299 6.009 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -12.438 -15.906 5.895 1.00 0.00 H new ATOM 0 HH TYR A 63 -13.900 -15.875 7.584 1.00 0.00 H new ATOM 961 N TYR A 64 -14.080 -12.690 -0.962 1.00 0.00 N ATOM 962 CA TYR A 64 -14.822 -11.805 -1.904 1.00 0.00 C ATOM 963 C TYR A 64 -15.139 -12.559 -3.198 1.00 0.00 C ATOM 964 O TYR A 64 -14.282 -13.211 -3.762 1.00 0.00 O ATOM 965 CB TYR A 64 -13.872 -10.641 -2.185 1.00 0.00 C ATOM 966 CG TYR A 64 -13.715 -9.803 -0.939 1.00 0.00 C ATOM 967 CD1 TYR A 64 -14.611 -8.759 -0.680 1.00 0.00 C ATOM 968 CD2 TYR A 64 -12.673 -10.069 -0.043 1.00 0.00 C ATOM 969 CE1 TYR A 64 -14.465 -7.982 0.475 1.00 0.00 C ATOM 970 CE2 TYR A 64 -12.527 -9.292 1.112 1.00 0.00 C ATOM 971 CZ TYR A 64 -13.423 -8.248 1.371 1.00 0.00 C ATOM 972 OH TYR A 64 -13.279 -7.482 2.509 1.00 0.00 O ATOM 0 H TYR A 64 -13.219 -13.094 -1.331 1.00 0.00 H new ATOM 0 HA TYR A 64 -15.772 -11.467 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -12.901 -11.020 -2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -14.260 -10.030 -3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -15.415 -8.553 -1.371 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.981 -10.874 -0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -15.157 -7.177 0.675 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.723 -9.498 1.803 1.00 0.00 H new ATOM 0 HH TYR A 64 -12.418 -7.014 2.482 1.00 0.00 H new ATOM 982 N PRO A 65 -16.364 -12.439 -3.631 1.00 0.00 N ATOM 983 CA PRO A 65 -16.799 -13.112 -4.879 1.00 0.00 C ATOM 984 C PRO A 65 -16.175 -12.422 -6.096 1.00 0.00 C ATOM 985 O PRO A 65 -16.349 -12.846 -7.221 1.00 0.00 O ATOM 986 CB PRO A 65 -18.316 -12.944 -4.868 1.00 0.00 C ATOM 987 CG PRO A 65 -18.563 -11.734 -4.022 1.00 0.00 C ATOM 988 CD PRO A 65 -17.448 -11.671 -3.010 1.00 0.00 C ATOM 0 HA PRO A 65 -16.497 -14.158 -4.935 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.706 -12.807 -5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.808 -13.824 -4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.580 -10.832 -4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -19.531 -11.801 -3.526 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -17.146 -10.643 -2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -17.749 -12.104 -2.056 1.00 0.00 H new ATOM 996 N ASN A 66 -15.446 -11.362 -5.875 1.00 0.00 N ATOM 997 CA ASN A 66 -14.803 -10.642 -7.009 1.00 0.00 C ATOM 998 C ASN A 66 -13.627 -9.809 -6.494 1.00 0.00 C ATOM 999 O ASN A 66 -13.512 -8.634 -6.780 1.00 0.00 O ATOM 1000 CB ASN A 66 -15.896 -9.736 -7.577 1.00 0.00 C ATOM 1001 CG ASN A 66 -16.016 -9.966 -9.085 1.00 0.00 C ATOM 1002 OD1 ASN A 66 -15.184 -10.624 -9.678 1.00 0.00 O ATOM 1003 ND2 ASN A 66 -17.022 -9.447 -9.734 1.00 0.00 N ATOM 0 H ASN A 66 -15.268 -10.963 -4.953 1.00 0.00 H new ATOM 0 HA ASN A 66 -14.410 -11.322 -7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.848 -9.947 -7.089 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.659 -8.691 -7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.110 -9.594 -10.740 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.720 -8.895 -9.236 1.00 0.00 H new ATOM 1010 N GLY A 67 -12.757 -10.411 -5.731 1.00 0.00 N ATOM 1011 CA GLY A 67 -11.591 -9.657 -5.189 1.00 0.00 C ATOM 1012 C GLY A 67 -10.503 -9.545 -6.257 1.00 0.00 C ATOM 1013 O GLY A 67 -10.161 -8.465 -6.696 1.00 0.00 O ATOM 0 H GLY A 67 -12.803 -11.393 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.905 -8.663 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.197 -10.163 -4.308 1.00 0.00 H new ATOM 1017 N GLY A 68 -9.948 -10.651 -6.672 1.00 0.00 N ATOM 1018 CA GLY A 68 -8.874 -10.601 -7.702 1.00 0.00 C ATOM 1019 C GLY A 68 -7.523 -10.450 -7.004 1.00 0.00 C ATOM 1020 O GLY A 68 -6.529 -10.110 -7.614 1.00 0.00 O ATOM 0 H GLY A 68 -10.192 -11.585 -6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.887 -11.509 -8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.042 -9.765 -8.381 1.00 0.00 H new ATOM 1024 N LEU A 69 -7.484 -10.699 -5.724 1.00 0.00 N ATOM 1025 CA LEU A 69 -6.205 -10.571 -4.973 1.00 0.00 C ATOM 1026 C LEU A 69 -5.289 -11.753 -5.284 1.00 0.00 C ATOM 1027 O LEU A 69 -4.882 -12.487 -4.406 1.00 0.00 O ATOM 1028 CB LEU A 69 -6.612 -10.585 -3.503 1.00 0.00 C ATOM 1029 CG LEU A 69 -7.666 -9.509 -3.262 1.00 0.00 C ATOM 1030 CD1 LEU A 69 -7.899 -9.356 -1.759 1.00 0.00 C ATOM 1031 CD2 LEU A 69 -7.174 -8.180 -3.836 1.00 0.00 C ATOM 0 H LEU A 69 -8.287 -10.987 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.657 -9.667 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.007 -11.564 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.742 -10.406 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.598 -9.795 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.652 -8.588 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.245 -10.304 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.967 -9.068 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.926 -7.409 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.243 -7.894 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.002 -8.288 -4.907 1.00 0.00 H new ATOM 1043 N THR A 70 -4.960 -11.939 -6.529 1.00 0.00 N ATOM 1044 CA THR A 70 -4.067 -13.072 -6.899 1.00 0.00 C ATOM 1045 C THR A 70 -2.663 -12.833 -6.340 1.00 0.00 C ATOM 1046 O THR A 70 -2.091 -11.775 -6.508 1.00 0.00 O ATOM 1047 CB THR A 70 -4.042 -13.078 -8.429 1.00 0.00 C ATOM 1048 OG1 THR A 70 -5.360 -13.275 -8.921 1.00 0.00 O ATOM 1049 CG2 THR A 70 -3.136 -14.207 -8.920 1.00 0.00 C ATOM 0 H THR A 70 -5.270 -11.357 -7.307 1.00 0.00 H new ATOM 0 HA THR A 70 -4.415 -14.023 -6.497 1.00 0.00 H new ATOM 0 HB THR A 70 -3.658 -12.124 -8.792 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.346 -13.277 -9.901 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.118 -14.211 -10.010 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.126 -14.054 -8.541 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.517 -15.162 -8.560 1.00 0.00 H new ATOM 1057 N ARG A 71 -2.101 -13.803 -5.673 1.00 0.00 N ATOM 1058 CA ARG A 71 -0.736 -13.616 -5.106 1.00 0.00 C ATOM 1059 C ARG A 71 -0.726 -12.417 -4.150 1.00 0.00 C ATOM 1060 O ARG A 71 -1.628 -12.240 -3.357 1.00 0.00 O ATOM 1061 CB ARG A 71 0.154 -13.347 -6.321 1.00 0.00 C ATOM 1062 CG ARG A 71 1.577 -13.828 -6.036 1.00 0.00 C ATOM 1063 CD ARG A 71 2.219 -14.316 -7.337 1.00 0.00 C ATOM 1064 NE ARG A 71 2.324 -15.793 -7.182 1.00 0.00 N ATOM 1065 CZ ARG A 71 3.059 -16.299 -6.230 1.00 0.00 C ATOM 1066 NH1 ARG A 71 4.322 -15.984 -6.144 1.00 0.00 N ATOM 1067 NH2 ARG A 71 2.530 -17.119 -5.363 1.00 0.00 N ATOM 0 H ARG A 71 -2.526 -14.713 -5.497 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.396 -14.479 -4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.245 -13.860 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.159 -12.282 -6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.167 -13.018 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.560 -14.633 -5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.610 -14.052 -8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.199 -13.864 -7.488 1.00 0.00 H new ATOM 0 HE ARG A 71 1.821 -16.410 -7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.735 -15.342 -6.821 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.897 -16.379 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.542 -17.364 -5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.104 -17.515 -4.619 1.00 0.00 H new ATOM 1081 N ASN A 72 0.283 -11.593 -4.221 1.00 0.00 N ATOM 1082 CA ASN A 72 0.345 -10.402 -3.318 1.00 0.00 C ATOM 1083 C ASN A 72 -0.320 -9.196 -3.987 1.00 0.00 C ATOM 1084 O ASN A 72 -0.088 -8.064 -3.612 1.00 0.00 O ATOM 1085 CB ASN A 72 1.836 -10.122 -3.107 1.00 0.00 C ATOM 1086 CG ASN A 72 2.594 -10.199 -4.440 1.00 0.00 C ATOM 1087 OD1 ASN A 72 2.172 -9.512 -5.470 1.00 0.00 O flip ATOM 1088 ND2 ASN A 72 3.585 -10.895 -4.545 1.00 0.00 N flip ATOM 0 H ASN A 72 1.069 -11.690 -4.864 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.174 -10.584 -2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.967 -9.135 -2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.251 -10.844 -2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.918 -11.432 -3.745 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.084 -10.942 -5.434 1.00 0.00 H new ATOM 1095 N TYR A 73 -1.116 -9.432 -4.996 1.00 0.00 N ATOM 1096 CA TYR A 73 -1.777 -8.307 -5.726 1.00 0.00 C ATOM 1097 C TYR A 73 -2.149 -7.164 -4.775 1.00 0.00 C ATOM 1098 O TYR A 73 -2.761 -7.363 -3.745 1.00 0.00 O ATOM 1099 CB TYR A 73 -3.035 -8.921 -6.338 1.00 0.00 C ATOM 1100 CG TYR A 73 -2.745 -9.378 -7.748 1.00 0.00 C ATOM 1101 CD1 TYR A 73 -1.471 -9.852 -8.086 1.00 0.00 C ATOM 1102 CD2 TYR A 73 -3.754 -9.330 -8.717 1.00 0.00 C ATOM 1103 CE1 TYR A 73 -1.207 -10.278 -9.394 1.00 0.00 C ATOM 1104 CE2 TYR A 73 -3.490 -9.756 -10.024 1.00 0.00 C ATOM 1105 CZ TYR A 73 -2.217 -10.230 -10.362 1.00 0.00 C ATOM 1106 OH TYR A 73 -1.957 -10.649 -11.651 1.00 0.00 O ATOM 0 H TYR A 73 -1.339 -10.362 -5.349 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.116 -7.874 -6.476 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.370 -9.764 -5.734 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.843 -8.190 -6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.693 -9.889 -7.338 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.736 -8.964 -8.456 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.225 -10.643 -9.655 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.268 -9.719 -10.772 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.765 -10.551 -12.196 1.00 0.00 H new ATOM 1116 N CYS A 74 -1.779 -5.967 -5.133 1.00 0.00 N ATOM 1117 CA CYS A 74 -2.097 -4.779 -4.280 1.00 0.00 C ATOM 1118 C CYS A 74 -3.566 -4.392 -4.441 1.00 0.00 C ATOM 1119 O CYS A 74 -4.027 -4.098 -5.526 1.00 0.00 O ATOM 1120 CB CYS A 74 -1.195 -3.660 -4.802 1.00 0.00 C ATOM 1121 SG CYS A 74 -1.687 -2.086 -4.057 1.00 0.00 S ATOM 0 H CYS A 74 -1.265 -5.755 -5.988 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.931 -4.978 -3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.154 -3.877 -4.563 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.267 -3.598 -5.888 1.00 0.00 H new ATOM 1126 N ARG A 75 -4.301 -4.386 -3.367 1.00 0.00 N ATOM 1127 CA ARG A 75 -5.739 -4.015 -3.449 1.00 0.00 C ATOM 1128 C ARG A 75 -6.165 -3.328 -2.150 1.00 0.00 C ATOM 1129 O ARG A 75 -5.343 -2.827 -1.410 1.00 0.00 O ATOM 1130 CB ARG A 75 -6.475 -5.340 -3.641 1.00 0.00 C ATOM 1131 CG ARG A 75 -6.582 -5.654 -5.135 1.00 0.00 C ATOM 1132 CD ARG A 75 -8.057 -5.725 -5.538 1.00 0.00 C ATOM 1133 NE ARG A 75 -8.093 -6.649 -6.706 1.00 0.00 N ATOM 1134 CZ ARG A 75 -8.332 -6.181 -7.901 1.00 0.00 C ATOM 1135 NH1 ARG A 75 -9.559 -5.948 -8.278 1.00 0.00 N ATOM 1136 NH2 ARG A 75 -7.342 -5.949 -8.720 1.00 0.00 N ATOM 0 H ARG A 75 -3.967 -4.623 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.954 -3.319 -4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.943 -6.141 -3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.470 -5.283 -3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.072 -4.886 -5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.088 -6.601 -5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.672 -6.099 -4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.442 -4.740 -5.802 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.931 -7.647 -6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.332 -6.131 -7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.745 -5.582 -9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.383 -6.133 -8.426 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.528 -5.583 -9.654 1.00 0.00 H new ATOM 1150 N ASN A 76 -7.437 -3.289 -1.864 1.00 0.00 N ATOM 1151 CA ASN A 76 -7.884 -2.620 -0.610 1.00 0.00 C ATOM 1152 C ASN A 76 -9.194 -3.229 -0.102 1.00 0.00 C ATOM 1153 O ASN A 76 -10.202 -2.555 -0.021 1.00 0.00 O ATOM 1154 CB ASN A 76 -8.085 -1.159 -1.007 1.00 0.00 C ATOM 1155 CG ASN A 76 -8.734 -0.398 0.150 1.00 0.00 C ATOM 1156 OD1 ASN A 76 -8.095 -0.122 1.145 1.00 0.00 O ATOM 1157 ND2 ASN A 76 -9.987 -0.046 0.061 1.00 0.00 N ATOM 0 H ASN A 76 -8.180 -3.687 -2.438 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.162 -2.735 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.127 -0.706 -1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.714 -1.096 -1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.430 0.461 0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.524 -0.278 -0.775 1.00 0.00 H new ATOM 1164 N PRO A 77 -9.129 -4.488 0.234 1.00 0.00 N ATOM 1165 CA PRO A 77 -10.315 -5.205 0.750 1.00 0.00 C ATOM 1166 C PRO A 77 -10.466 -4.978 2.261 1.00 0.00 C ATOM 1167 O PRO A 77 -10.898 -5.853 2.986 1.00 0.00 O ATOM 1168 CB PRO A 77 -9.992 -6.666 0.460 1.00 0.00 C ATOM 1169 CG PRO A 77 -8.494 -6.747 0.405 1.00 0.00 C ATOM 1170 CD PRO A 77 -7.955 -5.358 0.154 1.00 0.00 C ATOM 0 HA PRO A 77 -11.249 -4.873 0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.391 -7.317 1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.436 -6.986 -0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.100 -7.144 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.179 -7.426 -0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.206 -5.083 0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.476 -5.289 -0.823 1.00 0.00 H new ATOM 1178 N ASP A 78 -10.114 -3.815 2.744 1.00 0.00 N ATOM 1179 CA ASP A 78 -10.239 -3.548 4.206 1.00 0.00 C ATOM 1180 C ASP A 78 -10.936 -2.205 4.443 1.00 0.00 C ATOM 1181 O ASP A 78 -10.895 -1.657 5.526 1.00 0.00 O ATOM 1182 CB ASP A 78 -8.802 -3.505 4.726 1.00 0.00 C ATOM 1183 CG ASP A 78 -8.815 -3.341 6.247 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -9.266 -4.254 6.918 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -8.375 -2.304 6.715 1.00 0.00 O ATOM 0 H ASP A 78 -9.746 -3.041 2.190 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.834 -4.307 4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.277 -4.421 4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.262 -2.678 4.265 1.00 0.00 H new ATOM 1190 N ALA A 79 -11.578 -1.674 3.437 1.00 0.00 N ATOM 1191 CA ALA A 79 -12.284 -0.366 3.599 1.00 0.00 C ATOM 1192 C ALA A 79 -11.273 0.778 3.728 1.00 0.00 C ATOM 1193 O ALA A 79 -11.640 1.921 3.916 1.00 0.00 O ATOM 1194 CB ALA A 79 -13.103 -0.506 4.883 1.00 0.00 C ATOM 0 H ALA A 79 -11.645 -2.089 2.508 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.913 -0.134 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.650 0.418 5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.808 -1.330 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.435 -0.706 5.721 1.00 0.00 H new ATOM 1200 N GLU A 80 -10.006 0.484 3.625 1.00 0.00 N ATOM 1201 CA GLU A 80 -8.981 1.561 3.738 1.00 0.00 C ATOM 1202 C GLU A 80 -8.986 2.419 2.472 1.00 0.00 C ATOM 1203 O GLU A 80 -9.642 2.097 1.501 1.00 0.00 O ATOM 1204 CB GLU A 80 -7.648 0.823 3.881 1.00 0.00 C ATOM 1205 CG GLU A 80 -6.708 1.633 4.776 1.00 0.00 C ATOM 1206 CD GLU A 80 -6.001 0.694 5.756 1.00 0.00 C ATOM 1207 OE1 GLU A 80 -6.692 -0.010 6.474 1.00 0.00 O ATOM 1208 OE2 GLU A 80 -4.781 0.695 5.771 1.00 0.00 O ATOM 0 H GLU A 80 -9.636 -0.454 3.468 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.168 2.229 4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.812 -0.166 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.195 0.675 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.974 2.160 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.271 2.389 5.323 1.00 0.00 H new ATOM 1215 N ILE A 81 -8.258 3.505 2.470 1.00 0.00 N ATOM 1216 CA ILE A 81 -8.222 4.373 1.256 1.00 0.00 C ATOM 1217 C ILE A 81 -8.131 3.502 0.001 1.00 0.00 C ATOM 1218 O ILE A 81 -9.037 3.466 -0.806 1.00 0.00 O ATOM 1219 CB ILE A 81 -6.966 5.258 1.406 1.00 0.00 C ATOM 1220 CG1 ILE A 81 -6.562 5.824 0.022 1.00 0.00 C ATOM 1221 CG2 ILE A 81 -5.808 4.452 2.024 1.00 0.00 C ATOM 1222 CD1 ILE A 81 -5.093 6.267 0.017 1.00 0.00 C ATOM 0 H ILE A 81 -7.689 3.827 3.253 1.00 0.00 H new ATOM 0 HA ILE A 81 -9.120 4.984 1.160 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.192 6.088 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.720 5.066 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.202 6.670 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.931 5.092 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.103 4.087 3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.569 3.606 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.835 6.660 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.944 7.042 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.455 5.413 0.245 1.00 0.00 H new ATOM 1234 N SER A 82 -7.041 2.804 -0.159 1.00 0.00 N ATOM 1235 CA SER A 82 -6.867 1.932 -1.355 1.00 0.00 C ATOM 1236 C SER A 82 -5.440 1.353 -1.391 1.00 0.00 C ATOM 1237 O SER A 82 -5.267 0.154 -1.475 1.00 0.00 O ATOM 1238 CB SER A 82 -7.116 2.846 -2.557 1.00 0.00 C ATOM 1239 OG SER A 82 -6.746 2.166 -3.745 1.00 0.00 O ATOM 0 H SER A 82 -6.257 2.800 0.493 1.00 0.00 H new ATOM 0 HA SER A 82 -7.549 1.082 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.167 3.132 -2.600 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.539 3.765 -2.455 1.00 0.00 H new ATOM 0 HG SER A 82 -5.815 2.378 -3.967 1.00 0.00 H new ATOM 1245 N PRO A 83 -4.456 2.219 -1.325 1.00 0.00 N ATOM 1246 CA PRO A 83 -3.039 1.763 -1.350 1.00 0.00 C ATOM 1247 C PRO A 83 -2.665 1.039 -0.056 1.00 0.00 C ATOM 1248 O PRO A 83 -2.173 1.645 0.872 1.00 0.00 O ATOM 1249 CB PRO A 83 -2.249 3.067 -1.463 1.00 0.00 C ATOM 1250 CG PRO A 83 -3.150 4.107 -0.892 1.00 0.00 C ATOM 1251 CD PRO A 83 -4.551 3.682 -1.229 1.00 0.00 C ATOM 0 HA PRO A 83 -2.844 1.060 -2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.311 3.010 -0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.996 3.288 -2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.017 4.187 0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.929 5.087 -1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.259 3.988 -0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.889 4.124 -2.166 1.00 0.00 H new ATOM 1259 N TRP A 84 -2.872 -0.248 0.022 1.00 0.00 N ATOM 1260 CA TRP A 84 -2.486 -0.960 1.275 1.00 0.00 C ATOM 1261 C TRP A 84 -2.355 -2.466 1.017 1.00 0.00 C ATOM 1262 O TRP A 84 -3.246 -3.093 0.478 1.00 0.00 O ATOM 1263 CB TRP A 84 -3.594 -0.623 2.289 1.00 0.00 C ATOM 1264 CG TRP A 84 -4.565 -1.756 2.434 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -5.778 -1.820 1.839 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -4.427 -2.977 3.217 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -6.392 -3.004 2.204 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -5.600 -3.751 3.053 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -3.409 -3.483 4.045 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -5.757 -4.984 3.687 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.564 -4.724 4.685 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -4.736 -5.472 4.506 1.00 0.00 C ATOM 0 H TRP A 84 -3.283 -0.827 -0.710 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.513 -0.649 1.656 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -3.147 -0.398 3.257 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -4.124 0.273 1.967 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -6.198 -1.069 1.186 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.317 -3.291 1.885 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.503 -2.914 4.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.661 -5.557 3.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.776 -5.104 5.318 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -4.850 -6.425 5.001 1.00 0.00 H new ATOM 1283 N CYS A 85 -1.246 -3.046 1.393 1.00 0.00 N ATOM 1284 CA CYS A 85 -1.056 -4.506 1.163 1.00 0.00 C ATOM 1285 C CYS A 85 0.071 -5.040 2.052 1.00 0.00 C ATOM 1286 O CYS A 85 1.051 -4.366 2.299 1.00 0.00 O ATOM 1287 CB CYS A 85 -0.674 -4.618 -0.313 1.00 0.00 C ATOM 1288 SG CYS A 85 -1.054 -6.282 -0.910 1.00 0.00 S ATOM 0 H CYS A 85 -0.466 -2.572 1.848 1.00 0.00 H new ATOM 0 HA CYS A 85 -1.948 -5.085 1.403 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.219 -3.877 -0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.388 -4.408 -0.442 1.00 0.00 H new ATOM 1293 N TYR A 86 -0.058 -6.249 2.531 1.00 0.00 N ATOM 1294 CA TYR A 86 1.014 -6.822 3.398 1.00 0.00 C ATOM 1295 C TYR A 86 2.366 -6.696 2.691 1.00 0.00 C ATOM 1296 O TYR A 86 2.442 -6.240 1.570 1.00 0.00 O ATOM 1297 CB TYR A 86 0.645 -8.297 3.581 1.00 0.00 C ATOM 1298 CG TYR A 86 -0.814 -8.424 3.955 1.00 0.00 C ATOM 1299 CD1 TYR A 86 -1.381 -7.538 4.879 1.00 0.00 C ATOM 1300 CD2 TYR A 86 -1.601 -9.430 3.379 1.00 0.00 C ATOM 1301 CE1 TYR A 86 -2.731 -7.657 5.227 1.00 0.00 C ATOM 1302 CE2 TYR A 86 -2.952 -9.549 3.727 1.00 0.00 C ATOM 1303 CZ TYR A 86 -3.517 -8.662 4.651 1.00 0.00 C ATOM 1304 OH TYR A 86 -4.849 -8.779 4.996 1.00 0.00 O ATOM 0 H TYR A 86 -0.855 -6.862 2.361 1.00 0.00 H new ATOM 0 HA TYR A 86 1.093 -6.307 4.355 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.842 -8.846 2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.268 -8.742 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -0.776 -6.762 5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -1.165 -10.114 2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.167 -6.973 5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.558 -10.325 3.283 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.306 -9.355 4.348 1.00 0.00 H new ATOM 1314 N THR A 87 3.432 -7.099 3.330 1.00 0.00 N ATOM 1315 CA THR A 87 4.772 -7.004 2.676 1.00 0.00 C ATOM 1316 C THR A 87 5.387 -8.392 2.524 1.00 0.00 C ATOM 1317 O THR A 87 5.322 -9.209 3.421 1.00 0.00 O ATOM 1318 CB THR A 87 5.637 -6.173 3.621 1.00 0.00 C ATOM 1319 OG1 THR A 87 5.019 -6.115 4.890 1.00 0.00 O ATOM 1320 CG2 THR A 87 5.818 -4.762 3.068 1.00 0.00 C ATOM 0 H THR A 87 3.434 -7.488 4.273 1.00 0.00 H new ATOM 0 HA THR A 87 4.697 -6.559 1.684 1.00 0.00 H new ATOM 0 HB THR A 87 6.618 -6.640 3.713 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.514 -6.678 5.521 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.437 -4.180 3.751 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.303 -4.813 2.093 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.844 -4.284 2.964 1.00 0.00 H new ATOM 1328 N MET A 88 6.004 -8.657 1.407 1.00 0.00 N ATOM 1329 CA MET A 88 6.644 -9.988 1.202 1.00 0.00 C ATOM 1330 C MET A 88 7.802 -10.194 2.189 1.00 0.00 C ATOM 1331 O MET A 88 8.441 -11.228 2.191 1.00 0.00 O ATOM 1332 CB MET A 88 7.168 -9.953 -0.235 1.00 0.00 C ATOM 1333 CG MET A 88 6.706 -11.209 -0.977 1.00 0.00 C ATOM 1334 SD MET A 88 8.103 -11.929 -1.875 1.00 0.00 S ATOM 1335 CE MET A 88 7.259 -13.423 -2.451 1.00 0.00 C ATOM 0 H MET A 88 6.093 -8.008 0.625 1.00 0.00 H new ATOM 0 HA MET A 88 5.944 -10.807 1.369 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.803 -9.061 -0.745 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.257 -9.897 -0.235 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.302 -11.934 -0.270 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.904 -10.960 -1.671 1.00 0.00 H new ATOM 0 HE1 MET A 88 7.950 -14.027 -3.039 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.913 -13.999 -1.593 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.405 -13.143 -3.069 1.00 0.00 H new ATOM 1345 N ASP A 89 8.084 -9.230 3.033 1.00 0.00 N ATOM 1346 CA ASP A 89 9.195 -9.400 4.001 1.00 0.00 C ATOM 1347 C ASP A 89 8.645 -9.373 5.428 1.00 0.00 C ATOM 1348 O ASP A 89 7.768 -8.595 5.745 1.00 0.00 O ATOM 1349 CB ASP A 89 10.118 -8.206 3.755 1.00 0.00 C ATOM 1350 CG ASP A 89 11.046 -8.512 2.578 1.00 0.00 C ATOM 1351 OD1 ASP A 89 10.714 -9.390 1.800 1.00 0.00 O ATOM 1352 OD2 ASP A 89 12.074 -7.862 2.474 1.00 0.00 O ATOM 0 H ASP A 89 7.591 -8.339 3.088 1.00 0.00 H new ATOM 0 HA ASP A 89 9.719 -10.348 3.877 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.528 -7.314 3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.705 -7.996 4.649 1.00 0.00 H new ATOM 1357 N PRO A 90 9.190 -10.231 6.239 1.00 0.00 N ATOM 1358 CA PRO A 90 8.767 -10.327 7.658 1.00 0.00 C ATOM 1359 C PRO A 90 9.249 -9.106 8.442 1.00 0.00 C ATOM 1360 O PRO A 90 8.983 -8.966 9.619 1.00 0.00 O ATOM 1361 CB PRO A 90 9.455 -11.599 8.149 1.00 0.00 C ATOM 1362 CG PRO A 90 10.632 -11.773 7.241 1.00 0.00 C ATOM 1363 CD PRO A 90 10.245 -11.187 5.909 1.00 0.00 C ATOM 0 HA PRO A 90 7.685 -10.358 7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 90 9.768 -11.503 9.189 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.785 -12.457 8.096 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.510 -11.268 7.645 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.889 -12.827 7.139 1.00 0.00 H new ATOM 0 HD2 PRO A 90 11.091 -10.698 5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.888 -11.955 5.223 1.00 0.00 H new ATOM 1371 N ASN A 91 9.947 -8.215 7.796 1.00 0.00 N ATOM 1372 CA ASN A 91 10.434 -7.001 8.501 1.00 0.00 C ATOM 1373 C ASN A 91 9.390 -5.892 8.383 1.00 0.00 C ATOM 1374 O ASN A 91 9.476 -4.870 9.034 1.00 0.00 O ATOM 1375 CB ASN A 91 11.721 -6.610 7.777 1.00 0.00 C ATOM 1376 CG ASN A 91 12.925 -6.955 8.655 1.00 0.00 C ATOM 1377 OD1 ASN A 91 13.495 -6.091 9.291 1.00 0.00 O ATOM 1378 ND2 ASN A 91 13.338 -8.192 8.720 1.00 0.00 N ATOM 0 H ASN A 91 10.201 -8.276 6.810 1.00 0.00 H new ATOM 0 HA ASN A 91 10.609 -7.172 9.563 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.789 -7.136 6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.715 -5.543 7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 91 14.139 -8.432 9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 91 12.860 -8.918 8.186 1.00 0.00 H new ATOM 1385 N VAL A 92 8.404 -6.087 7.550 1.00 0.00 N ATOM 1386 CA VAL A 92 7.354 -5.049 7.384 1.00 0.00 C ATOM 1387 C VAL A 92 5.970 -5.663 7.604 1.00 0.00 C ATOM 1388 O VAL A 92 5.629 -6.661 7.007 1.00 0.00 O ATOM 1389 CB VAL A 92 7.507 -4.580 5.935 1.00 0.00 C ATOM 1390 CG1 VAL A 92 6.392 -3.589 5.599 1.00 0.00 C ATOM 1391 CG2 VAL A 92 8.864 -3.892 5.768 1.00 0.00 C ATOM 0 H VAL A 92 8.283 -6.922 6.978 1.00 0.00 H new ATOM 0 HA VAL A 92 7.455 -4.231 8.097 1.00 0.00 H new ATOM 0 HB VAL A 92 7.445 -5.438 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.501 -3.255 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.424 -4.075 5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.455 -2.730 6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.977 -3.556 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.922 -3.034 6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 92 9.661 -4.595 6.010 1.00 0.00 H new ATOM 1401 N ARG A 93 5.165 -5.080 8.448 1.00 0.00 N ATOM 1402 CA ARG A 93 3.811 -5.642 8.674 1.00 0.00 C ATOM 1403 C ARG A 93 2.962 -5.417 7.422 1.00 0.00 C ATOM 1404 O ARG A 93 2.388 -6.333 6.866 1.00 0.00 O ATOM 1405 CB ARG A 93 3.244 -4.863 9.861 1.00 0.00 C ATOM 1406 CG ARG A 93 2.139 -5.684 10.528 1.00 0.00 C ATOM 1407 CD ARG A 93 2.701 -7.039 10.964 1.00 0.00 C ATOM 1408 NE ARG A 93 2.510 -7.076 12.440 1.00 0.00 N ATOM 1409 CZ ARG A 93 1.306 -7.064 12.941 1.00 0.00 C ATOM 1410 NH1 ARG A 93 0.325 -7.627 12.292 1.00 0.00 N ATOM 1411 NH2 ARG A 93 1.083 -6.488 14.090 1.00 0.00 N ATOM 0 H ARG A 93 5.387 -4.243 8.987 1.00 0.00 H new ATOM 0 HA ARG A 93 3.825 -6.713 8.875 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.035 -4.647 10.579 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.848 -3.905 9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.744 -5.148 11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.310 -5.828 9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.175 -7.860 10.477 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.754 -7.134 10.699 1.00 0.00 H new ATOM 0 HE ARG A 93 3.320 -7.111 13.059 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.500 -8.076 11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.617 -7.618 12.683 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.850 -6.047 14.597 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.141 -6.479 14.482 1.00 0.00 H new ATOM 1425 N TRP A 94 2.899 -4.196 6.972 1.00 0.00 N ATOM 1426 CA TRP A 94 2.114 -3.873 5.748 1.00 0.00 C ATOM 1427 C TRP A 94 2.597 -2.534 5.190 1.00 0.00 C ATOM 1428 O TRP A 94 3.309 -1.804 5.851 1.00 0.00 O ATOM 1429 CB TRP A 94 0.661 -3.775 6.212 1.00 0.00 C ATOM 1430 CG TRP A 94 0.533 -2.666 7.204 1.00 0.00 C ATOM 1431 CD1 TRP A 94 0.445 -2.830 8.542 1.00 0.00 C ATOM 1432 CD2 TRP A 94 0.479 -1.230 6.961 1.00 0.00 C ATOM 1433 NE1 TRP A 94 0.339 -1.586 9.139 1.00 0.00 N ATOM 1434 CE2 TRP A 94 0.356 -0.568 8.206 1.00 0.00 C ATOM 1435 CE3 TRP A 94 0.524 -0.446 5.794 1.00 0.00 C ATOM 1436 CZ2 TRP A 94 0.279 0.823 8.289 1.00 0.00 C ATOM 1437 CZ3 TRP A 94 0.448 0.954 5.875 1.00 0.00 C ATOM 1438 CH2 TRP A 94 0.326 1.587 7.119 1.00 0.00 C ATOM 0 H TRP A 94 3.364 -3.398 7.405 1.00 0.00 H new ATOM 0 HA TRP A 94 2.225 -4.620 4.962 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.007 -3.593 5.360 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.346 -4.717 6.660 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.456 -3.777 9.061 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.258 -1.439 10.145 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.618 -0.924 4.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 0.184 1.306 9.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 0.484 1.546 4.973 1.00 0.00 H new ATOM 0 HH2 TRP A 94 0.268 2.664 7.174 1.00 0.00 H new ATOM 1449 N GLU A 95 2.227 -2.196 3.988 1.00 0.00 N ATOM 1450 CA GLU A 95 2.689 -0.895 3.424 1.00 0.00 C ATOM 1451 C GLU A 95 1.722 -0.401 2.350 1.00 0.00 C ATOM 1452 O GLU A 95 1.057 -1.177 1.693 1.00 0.00 O ATOM 1453 CB GLU A 95 4.061 -1.189 2.817 1.00 0.00 C ATOM 1454 CG GLU A 95 5.149 -0.934 3.862 1.00 0.00 C ATOM 1455 CD GLU A 95 6.499 -0.768 3.164 1.00 0.00 C ATOM 1456 OE1 GLU A 95 6.562 -0.007 2.212 1.00 0.00 O ATOM 1457 OE2 GLU A 95 7.447 -1.406 3.592 1.00 0.00 O ATOM 0 H GLU A 95 1.632 -2.755 3.376 1.00 0.00 H new ATOM 0 HA GLU A 95 2.737 -0.115 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.105 -2.223 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.226 -0.558 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.913 -0.039 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.192 -1.764 4.567 1.00 0.00 H new ATOM 1464 N TYR A 96 1.645 0.887 2.162 1.00 0.00 N ATOM 1465 CA TYR A 96 0.728 1.431 1.126 1.00 0.00 C ATOM 1466 C TYR A 96 1.332 1.211 -0.261 1.00 0.00 C ATOM 1467 O TYR A 96 2.513 0.980 -0.399 1.00 0.00 O ATOM 1468 CB TYR A 96 0.622 2.925 1.438 1.00 0.00 C ATOM 1469 CG TYR A 96 -0.644 3.190 2.218 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -1.101 2.250 3.149 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -1.361 4.374 2.009 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -2.276 2.494 3.871 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -2.536 4.618 2.730 1.00 0.00 C ATOM 1474 CZ TYR A 96 -2.993 3.678 3.662 1.00 0.00 C ATOM 1475 OH TYR A 96 -4.151 3.918 4.374 1.00 0.00 O ATOM 0 H TYR A 96 2.178 1.585 2.681 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.249 0.947 1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 96 1.490 3.250 2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 96 0.619 3.501 0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.548 1.337 3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.008 5.100 1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.629 1.769 4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.090 5.531 2.567 1.00 0.00 H new ATOM 0 HH TYR A 96 -4.394 4.864 4.295 1.00 0.00 H new ATOM 1485 N CYS A 97 0.533 1.270 -1.287 1.00 0.00 N ATOM 1486 CA CYS A 97 1.071 1.058 -2.661 1.00 0.00 C ATOM 1487 C CYS A 97 1.446 2.399 -3.303 1.00 0.00 C ATOM 1488 O CYS A 97 0.975 3.445 -2.903 1.00 0.00 O ATOM 1489 CB CYS A 97 -0.074 0.396 -3.428 1.00 0.00 C ATOM 1490 SG CYS A 97 0.013 -1.398 -3.210 1.00 0.00 S ATOM 0 H CYS A 97 -0.469 1.456 -1.236 1.00 0.00 H new ATOM 0 HA CYS A 97 1.975 0.448 -2.662 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -1.032 0.771 -3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -0.011 0.648 -4.487 1.00 0.00 H new ATOM 1495 N ASN A 98 2.290 2.374 -4.299 1.00 0.00 N ATOM 1496 CA ASN A 98 2.699 3.643 -4.976 1.00 0.00 C ATOM 1497 C ASN A 98 1.585 4.154 -5.886 1.00 0.00 C ATOM 1498 O ASN A 98 1.776 4.294 -7.077 1.00 0.00 O ATOM 1499 CB ASN A 98 3.899 3.263 -5.837 1.00 0.00 C ATOM 1500 CG ASN A 98 5.167 3.248 -4.981 1.00 0.00 C ATOM 1501 OD1 ASN A 98 5.854 2.144 -4.874 1.00 0.00 O flip ATOM 1502 ND2 ASN A 98 5.536 4.252 -4.405 1.00 0.00 N flip ATOM 0 H ASN A 98 2.716 1.527 -4.676 1.00 0.00 H new ATOM 0 HA ASN A 98 2.921 4.425 -4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.740 2.282 -6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.010 3.974 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.999 5.115 -4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.383 4.232 -3.837 1.00 0.00 H new ATOM 1509 N LEU A 99 0.426 4.429 -5.365 1.00 0.00 N ATOM 1510 CA LEU A 99 -0.657 4.917 -6.266 1.00 0.00 C ATOM 1511 C LEU A 99 -1.709 5.740 -5.519 1.00 0.00 C ATOM 1512 O LEU A 99 -2.157 5.390 -4.447 1.00 0.00 O ATOM 1513 CB LEU A 99 -1.310 3.661 -6.875 1.00 0.00 C ATOM 1514 CG LEU A 99 -1.002 2.410 -6.044 1.00 0.00 C ATOM 1515 CD1 LEU A 99 -1.537 2.592 -4.627 1.00 0.00 C ATOM 1516 CD2 LEU A 99 -1.686 1.200 -6.681 1.00 0.00 C ATOM 0 H LEU A 99 0.181 4.341 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.238 5.576 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.389 3.803 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.950 3.520 -7.894 1.00 0.00 H new ATOM 0 HG LEU A 99 0.076 2.255 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.317 1.702 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.061 3.458 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.615 2.746 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.469 0.308 -6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.763 1.364 -6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.314 1.064 -7.696 1.00 0.00 H new ATOM 1528 N THR A 100 -2.133 6.820 -6.108 1.00 0.00 N ATOM 1529 CA THR A 100 -3.186 7.650 -5.483 1.00 0.00 C ATOM 1530 C THR A 100 -4.422 7.608 -6.379 1.00 0.00 C ATOM 1531 O THR A 100 -4.331 7.306 -7.552 1.00 0.00 O ATOM 1532 CB THR A 100 -2.615 9.060 -5.427 1.00 0.00 C ATOM 1533 OG1 THR A 100 -2.439 9.549 -6.749 1.00 0.00 O ATOM 1534 CG2 THR A 100 -1.270 9.039 -4.702 1.00 0.00 C ATOM 0 H THR A 100 -1.789 7.163 -7.005 1.00 0.00 H new ATOM 0 HA THR A 100 -3.470 7.305 -4.489 1.00 0.00 H new ATOM 0 HB THR A 100 -3.303 9.711 -4.888 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.073 10.457 -6.716 1.00 0.00 H new ATOM 0 HG21 THR A 100 -0.862 10.049 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.409 8.664 -3.688 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.578 8.389 -5.238 1.00 0.00 H new ATOM 1542 N GLN A 101 -5.571 7.901 -5.854 1.00 0.00 N ATOM 1543 CA GLN A 101 -6.791 7.861 -6.712 1.00 0.00 C ATOM 1544 C GLN A 101 -6.523 8.621 -8.016 1.00 0.00 C ATOM 1545 O GLN A 101 -6.303 9.816 -8.013 1.00 0.00 O ATOM 1546 CB GLN A 101 -7.879 8.556 -5.892 1.00 0.00 C ATOM 1547 CG GLN A 101 -8.564 7.530 -4.987 1.00 0.00 C ATOM 1548 CD GLN A 101 -8.503 8.005 -3.534 1.00 0.00 C ATOM 1549 OE1 GLN A 101 -7.496 8.524 -3.094 1.00 0.00 O ATOM 1550 NE2 GLN A 101 -9.545 7.846 -2.765 1.00 0.00 N ATOM 0 H GLN A 101 -5.724 8.164 -4.881 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.083 6.846 -6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.443 9.354 -5.291 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.610 9.019 -6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.602 7.396 -5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -8.075 6.561 -5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.390 7.410 -3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -9.515 8.157 -1.794 1.00 0.00 H new ATOM 1559 N CYS A 102 -6.522 7.934 -9.130 1.00 0.00 N ATOM 1560 CA CYS A 102 -6.249 8.620 -10.429 1.00 0.00 C ATOM 1561 C CYS A 102 -7.243 9.762 -10.652 1.00 0.00 C ATOM 1562 O CYS A 102 -6.854 10.900 -10.825 1.00 0.00 O ATOM 1563 CB CYS A 102 -6.429 7.547 -11.503 1.00 0.00 C ATOM 1564 SG CYS A 102 -4.851 7.253 -12.345 1.00 0.00 S ATOM 0 H CYS A 102 -6.698 6.931 -9.196 1.00 0.00 H new ATOM 0 HA CYS A 102 -5.250 9.056 -10.451 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -6.788 6.623 -11.050 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -7.183 7.863 -12.224 1.00 0.00 H new ATOM 1569 N PRO A 103 -8.501 9.413 -10.647 1.00 0.00 N ATOM 1570 CA PRO A 103 -9.574 10.417 -10.858 1.00 0.00 C ATOM 1571 C PRO A 103 -9.701 11.338 -9.642 1.00 0.00 C ATOM 1572 O PRO A 103 -9.115 11.101 -8.605 1.00 0.00 O ATOM 1573 CB PRO A 103 -10.829 9.565 -11.034 1.00 0.00 C ATOM 1574 CG PRO A 103 -10.525 8.280 -10.333 1.00 0.00 C ATOM 1575 CD PRO A 103 -9.039 8.063 -10.445 1.00 0.00 C ATOM 0 HA PRO A 103 -9.385 11.072 -11.709 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -11.702 10.054 -10.601 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -11.048 9.397 -12.089 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -10.831 8.328 -9.288 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -11.072 7.453 -10.787 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -8.633 7.602 -9.545 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -8.793 7.406 -11.279 1.00 0.00 H new ATOM 1583 N VAL A 104 -10.464 12.391 -9.766 1.00 0.00 N ATOM 1584 CA VAL A 104 -10.632 13.333 -8.622 1.00 0.00 C ATOM 1585 C VAL A 104 -11.577 12.735 -7.577 1.00 0.00 C ATOM 1586 O VAL A 104 -12.345 11.837 -7.862 1.00 0.00 O ATOM 1587 CB VAL A 104 -11.242 14.596 -9.233 1.00 0.00 C ATOM 1588 CG1 VAL A 104 -11.104 15.759 -8.248 1.00 0.00 C ATOM 1589 CG2 VAL A 104 -10.509 14.941 -10.532 1.00 0.00 C ATOM 0 H VAL A 104 -10.979 12.640 -10.611 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.688 13.539 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.297 14.422 -9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.539 16.659 -8.684 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.626 15.516 -7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.049 15.932 -8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.944 15.841 -10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.454 15.114 -10.320 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.607 14.114 -11.235 1.00 0.00 H new ATOM 1599 N THR A 105 -11.527 13.225 -6.369 1.00 0.00 N ATOM 1600 CA THR A 105 -12.423 12.684 -5.305 1.00 0.00 C ATOM 1601 C THR A 105 -13.834 13.256 -5.458 1.00 0.00 C ATOM 1602 O THR A 105 -14.040 14.260 -6.110 1.00 0.00 O ATOM 1603 CB THR A 105 -11.798 13.147 -3.989 1.00 0.00 C ATOM 1604 OG1 THR A 105 -10.421 12.795 -3.970 1.00 0.00 O ATOM 1605 CG2 THR A 105 -12.516 12.473 -2.818 1.00 0.00 C ATOM 0 H THR A 105 -10.905 13.977 -6.071 1.00 0.00 H new ATOM 0 HA THR A 105 -12.514 11.599 -5.355 1.00 0.00 H new ATOM 0 HB THR A 105 -11.897 14.229 -3.899 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.019 13.093 -3.127 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.071 12.803 -1.880 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.572 12.744 -2.834 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.418 11.391 -2.905 1.00 0.00 H new ATOM 1613 N GLU A 106 -14.808 12.624 -4.859 1.00 0.00 N ATOM 1614 CA GLU A 106 -16.206 13.130 -4.967 1.00 0.00 C ATOM 1615 C GLU A 106 -16.230 14.655 -4.833 1.00 0.00 C ATOM 1616 O GLU A 106 -15.692 15.214 -3.898 1.00 0.00 O ATOM 1617 CB GLU A 106 -16.953 12.478 -3.802 1.00 0.00 C ATOM 1618 CG GLU A 106 -17.158 10.990 -4.094 1.00 0.00 C ATOM 1619 CD GLU A 106 -18.203 10.419 -3.133 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -19.310 10.930 -3.122 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -17.878 9.480 -2.425 1.00 0.00 O ATOM 0 H GLU A 106 -14.695 11.779 -4.299 1.00 0.00 H new ATOM 0 HA GLU A 106 -16.659 12.890 -5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -16.388 12.603 -2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -17.916 12.966 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -17.484 10.853 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -16.215 10.454 -3.983 1.00 0.00 H new ATOM 1628 N SER A 107 -16.849 15.332 -5.760 1.00 0.00 N ATOM 1629 CA SER A 107 -16.905 16.821 -5.684 1.00 0.00 C ATOM 1630 C SER A 107 -17.671 17.257 -4.431 1.00 0.00 C ATOM 1631 O SER A 107 -17.087 17.627 -3.432 1.00 0.00 O ATOM 1632 CB SER A 107 -17.651 17.253 -6.945 1.00 0.00 C ATOM 1633 OG SER A 107 -18.599 16.254 -7.294 1.00 0.00 O ATOM 0 H SER A 107 -17.318 14.920 -6.567 1.00 0.00 H new ATOM 0 HA SER A 107 -15.914 17.270 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 107 -18.154 18.205 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 107 -16.948 17.405 -7.764 1.00 0.00 H new ATOM 0 HG SER A 107 -19.081 16.528 -8.102 1.00 0.00 H new ATOM 1639 N SER A 108 -18.975 17.216 -4.478 1.00 0.00 N ATOM 1640 CA SER A 108 -19.778 17.627 -3.290 1.00 0.00 C ATOM 1641 C SER A 108 -21.139 16.926 -3.306 1.00 0.00 C ATOM 1642 O SER A 108 -22.045 17.325 -4.011 1.00 0.00 O ATOM 1643 CB SER A 108 -19.949 19.138 -3.433 1.00 0.00 C ATOM 1644 OG SER A 108 -18.791 19.791 -2.931 1.00 0.00 O ATOM 0 H SER A 108 -19.519 16.916 -5.287 1.00 0.00 H new ATOM 0 HA SER A 108 -19.295 17.360 -2.350 1.00 0.00 H new ATOM 0 HB2 SER A 108 -20.104 19.401 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 108 -20.833 19.469 -2.887 1.00 0.00 H new ATOM 0 HG SER A 108 -18.053 19.149 -2.871 1.00 0.00 H new ATOM 1650 N VAL A 109 -21.290 15.883 -2.536 1.00 0.00 N ATOM 1651 CA VAL A 109 -22.593 15.157 -2.510 1.00 0.00 C ATOM 1652 C VAL A 109 -23.261 15.311 -1.141 1.00 0.00 C ATOM 1653 O VAL A 109 -22.605 15.328 -0.118 1.00 0.00 O ATOM 1654 CB VAL A 109 -22.236 13.694 -2.772 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -21.382 13.161 -1.620 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -23.520 12.868 -2.878 1.00 0.00 C ATOM 0 H VAL A 109 -20.568 15.502 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 109 -23.295 15.544 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 109 -21.676 13.619 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -21.128 12.118 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -20.467 13.749 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -21.941 13.236 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -23.267 11.824 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -24.080 12.944 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -24.129 13.246 -3.699 1.00 0.00 H new ATOM 1666 N LEU A 110 -24.562 15.423 -1.113 1.00 0.00 N ATOM 1667 CA LEU A 110 -25.270 15.576 0.191 1.00 0.00 C ATOM 1668 C LEU A 110 -25.235 14.259 0.971 1.00 0.00 C ATOM 1669 O LEU A 110 -26.137 13.450 0.882 1.00 0.00 O ATOM 1670 CB LEU A 110 -26.709 15.939 -0.179 1.00 0.00 C ATOM 1671 CG LEU A 110 -27.142 17.173 0.613 1.00 0.00 C ATOM 1672 CD1 LEU A 110 -26.429 18.410 0.063 1.00 0.00 C ATOM 1673 CD2 LEU A 110 -28.656 17.357 0.482 1.00 0.00 C ATOM 0 H LEU A 110 -25.165 15.415 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 110 -24.807 16.333 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -26.782 16.136 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -27.374 15.103 0.038 1.00 0.00 H new ATOM 0 HG LEU A 110 -26.881 17.040 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -26.738 19.289 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -25.351 18.280 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -26.689 18.543 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -28.966 18.237 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -28.917 17.489 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -29.165 16.476 0.874 1.00 0.00 H new ATOM 1685 N ALA A 111 -24.201 14.039 1.735 1.00 0.00 N ATOM 1686 CA ALA A 111 -24.110 12.776 2.520 1.00 0.00 C ATOM 1687 C ALA A 111 -24.520 13.027 3.974 1.00 0.00 C ATOM 1688 O ALA A 111 -24.516 14.146 4.446 1.00 0.00 O ATOM 1689 CB ALA A 111 -22.640 12.366 2.440 1.00 0.00 C ATOM 0 H ALA A 111 -23.415 14.679 1.850 1.00 0.00 H new ATOM 0 HA ALA A 111 -24.771 12.000 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -22.490 11.440 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -22.361 12.213 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -22.019 13.152 2.870 1.00 0.00 H new ATOM 1695 N THR A 112 -24.872 11.993 4.687 1.00 0.00 N ATOM 1696 CA THR A 112 -25.282 12.172 6.110 1.00 0.00 C ATOM 1697 C THR A 112 -24.050 12.182 7.018 1.00 0.00 C ATOM 1698 O THR A 112 -23.791 13.137 7.722 1.00 0.00 O ATOM 1699 CB THR A 112 -26.163 10.962 6.424 1.00 0.00 C ATOM 1700 OG1 THR A 112 -25.651 9.820 5.752 1.00 0.00 O ATOM 1701 CG2 THR A 112 -27.594 11.233 5.958 1.00 0.00 C ATOM 0 H THR A 112 -24.894 11.032 4.347 1.00 0.00 H new ATOM 0 HA THR A 112 -25.806 13.114 6.272 1.00 0.00 H new ATOM 0 HB THR A 112 -26.164 10.782 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 112 -26.213 9.043 5.953 1.00 0.00 H new ATOM 0 HG21 THR A 112 -28.220 10.369 6.183 1.00 0.00 H new ATOM 0 HG22 THR A 112 -27.985 12.109 6.475 1.00 0.00 H new ATOM 0 HG23 THR A 112 -27.598 11.414 4.883 1.00 0.00 H new ATOM 1709 N SER A 113 -23.292 11.121 7.008 1.00 0.00 N ATOM 1710 CA SER A 113 -22.079 11.060 7.871 1.00 0.00 C ATOM 1711 C SER A 113 -21.183 12.275 7.621 1.00 0.00 C ATOM 1712 O SER A 113 -21.190 12.857 6.554 1.00 0.00 O ATOM 1713 CB SER A 113 -21.365 9.775 7.457 1.00 0.00 C ATOM 1714 OG SER A 113 -21.341 8.875 8.557 1.00 0.00 O ATOM 0 H SER A 113 -23.460 10.292 6.438 1.00 0.00 H new ATOM 0 HA SER A 113 -22.329 11.067 8.932 1.00 0.00 H new ATOM 0 HB2 SER A 113 -21.876 9.318 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 113 -20.349 9.998 7.133 1.00 0.00 H new ATOM 0 HG SER A 113 -20.885 8.049 8.294 1.00 0.00 H new ATOM 1720 N THR A 114 -20.407 12.658 8.597 1.00 0.00 N ATOM 1721 CA THR A 114 -19.504 13.830 8.421 1.00 0.00 C ATOM 1722 C THR A 114 -18.049 13.394 8.608 1.00 0.00 C ATOM 1723 O THR A 114 -17.161 13.834 7.906 1.00 0.00 O ATOM 1724 CB THR A 114 -19.915 14.816 9.516 1.00 0.00 C ATOM 1725 OG1 THR A 114 -21.305 14.678 9.779 1.00 0.00 O ATOM 1726 CG2 THR A 114 -19.619 16.245 9.058 1.00 0.00 C ATOM 0 H THR A 114 -20.359 12.209 9.511 1.00 0.00 H new ATOM 0 HA THR A 114 -19.583 14.273 7.428 1.00 0.00 H new ATOM 0 HB THR A 114 -19.351 14.605 10.424 1.00 0.00 H new ATOM 0 HG1 THR A 114 -21.569 15.308 10.482 1.00 0.00 H new ATOM 0 HG21 THR A 114 -19.913 16.946 9.840 1.00 0.00 H new ATOM 0 HG22 THR A 114 -18.552 16.350 8.859 1.00 0.00 H new ATOM 0 HG23 THR A 114 -20.181 16.459 8.149 1.00 0.00 H new ATOM 1734 N ALA A 115 -17.805 12.525 9.550 1.00 0.00 N ATOM 1735 CA ALA A 115 -16.413 12.047 9.789 1.00 0.00 C ATOM 1736 C ALA A 115 -16.447 10.689 10.494 1.00 0.00 C ATOM 1737 O ALA A 115 -17.031 10.542 11.549 1.00 0.00 O ATOM 1738 CB ALA A 115 -15.776 13.106 10.690 1.00 0.00 C ATOM 0 H ALA A 115 -18.512 12.124 10.167 1.00 0.00 H new ATOM 0 HA ALA A 115 -15.852 11.916 8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.747 12.824 10.911 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -15.787 14.070 10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -16.340 13.179 11.620 1.00 0.00 H new ATOM 1744 N VAL A 116 -15.831 9.694 9.919 1.00 0.00 N ATOM 1745 CA VAL A 116 -15.837 8.348 10.558 1.00 0.00 C ATOM 1746 C VAL A 116 -14.627 8.190 11.482 1.00 0.00 C ATOM 1747 O VAL A 116 -13.565 8.723 11.228 1.00 0.00 O ATOM 1748 CB VAL A 116 -15.757 7.358 9.397 1.00 0.00 C ATOM 1749 CG1 VAL A 116 -15.648 5.935 9.946 1.00 0.00 C ATOM 1750 CG2 VAL A 116 -17.019 7.476 8.540 1.00 0.00 C ATOM 0 H VAL A 116 -15.324 9.754 9.036 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.724 8.189 11.171 1.00 0.00 H new ATOM 0 HB VAL A 116 -14.880 7.582 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -15.591 5.229 9.118 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -14.751 5.849 10.559 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -16.525 5.711 10.554 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -16.963 6.770 7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.895 7.252 9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.099 8.490 8.148 1.00 0.00 H new ATOM 1760 N SER A 117 -14.781 7.457 12.550 1.00 0.00 N ATOM 1761 CA SER A 117 -13.642 7.257 13.490 1.00 0.00 C ATOM 1762 C SER A 117 -13.262 5.774 13.540 1.00 0.00 C ATOM 1763 O SER A 117 -14.074 4.926 13.852 1.00 0.00 O ATOM 1764 CB SER A 117 -14.162 7.724 14.849 1.00 0.00 C ATOM 1765 OG SER A 117 -13.403 8.845 15.283 1.00 0.00 O ATOM 0 H SER A 117 -15.647 6.987 12.813 1.00 0.00 H new ATOM 0 HA SER A 117 -12.751 7.807 13.187 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.216 7.991 14.776 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.087 6.916 15.577 1.00 0.00 H new ATOM 0 HG SER A 117 -13.735 9.148 16.154 1.00 0.00 H new ATOM 1771 N GLU A 118 -12.036 5.454 13.229 1.00 0.00 N ATOM 1772 CA GLU A 118 -11.611 4.025 13.256 1.00 0.00 C ATOM 1773 C GLU A 118 -10.297 3.876 14.027 1.00 0.00 C ATOM 1774 O GLU A 118 -9.227 3.860 13.451 1.00 0.00 O ATOM 1775 CB GLU A 118 -11.420 3.643 11.788 1.00 0.00 C ATOM 1776 CG GLU A 118 -12.471 2.605 11.389 1.00 0.00 C ATOM 1777 CD GLU A 118 -13.415 3.205 10.345 1.00 0.00 C ATOM 1778 OE1 GLU A 118 -12.932 3.610 9.300 1.00 0.00 O ATOM 1779 OE2 GLU A 118 -14.605 3.248 10.608 1.00 0.00 O ATOM 0 H GLU A 118 -11.311 6.118 12.958 1.00 0.00 H new ATOM 0 HA GLU A 118 -12.341 3.386 13.752 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.509 4.527 11.157 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.419 3.240 11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.985 1.717 10.986 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -13.036 2.289 12.266 1.00 0.00 H new ATOM 1786 N GLN A 119 -10.369 3.768 15.325 1.00 0.00 N ATOM 1787 CA GLN A 119 -9.122 3.621 16.130 1.00 0.00 C ATOM 1788 C GLN A 119 -8.725 2.146 16.224 1.00 0.00 C ATOM 1789 O GLN A 119 -9.192 1.484 17.136 1.00 0.00 O ATOM 1790 CB GLN A 119 -9.474 4.172 17.512 1.00 0.00 C ATOM 1791 CG GLN A 119 -9.586 5.696 17.439 1.00 0.00 C ATOM 1792 CD GLN A 119 -10.506 6.195 18.554 1.00 0.00 C ATOM 1793 OE1 GLN A 119 -10.741 5.499 19.522 1.00 0.00 O ATOM 1794 NE2 GLN A 119 -11.041 7.381 18.458 1.00 0.00 N ATOM 1795 OXT GLN A 119 -7.960 1.704 15.382 1.00 0.00 O ATOM 0 H GLN A 119 -11.236 3.775 15.863 1.00 0.00 H new ATOM 0 HA GLN A 119 -8.278 4.149 15.685 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -10.415 3.744 17.857 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -8.709 3.887 18.235 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -8.599 6.149 17.538 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -9.979 5.996 16.468 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -10.844 7.965 17.645 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -11.657 7.724 19.195 1.00 0.00 H new TER 1804 GLN A 119