USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 882 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 57 GLN : amide:sc= 0.705 K(o=2.1,f=-3.8!) USER MOD Set 1.2: A 79 SER OG : rot -71:sc= 1.41 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 46:sc= 0.00528 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0965 K(o=-0.096,f=-1.3) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.433 F(o=-1.7,f=-0.43) USER MOD Single : A 21 SER OG : rot 118:sc= 1.33 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -130:sc= -0.775 USER MOD Single : A 47 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.5!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -30:sc= -7.52! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.7 K(o=-1.7,f=-5.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 103:sc= -0.0495 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -4.14! C(o=-4.1!,f=-9.2!) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.824 F(o=-1.4!,f=-0.82) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0088 X(o=-0.0088,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.152 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot -174:sc= 1.11 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.019 -33.227 -29.818 1.00 0.00 N ATOM 2 CA GLY A 1 -15.627 -33.001 -29.468 1.00 0.00 C ATOM 3 C GLY A 1 -15.268 -31.518 -29.575 1.00 0.00 C ATOM 4 O GLY A 1 -15.316 -30.941 -30.661 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.237 -34.241 -29.737 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.631 -32.689 -29.172 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.187 -32.914 -30.795 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.442 -33.351 -28.452 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.983 -33.583 -30.128 1.00 0.00 H new ATOM 8 N SER A 2 -14.917 -30.943 -28.435 1.00 0.00 N ATOM 9 CA SER A 2 -14.550 -29.537 -28.387 1.00 0.00 C ATOM 10 C SER A 2 -15.668 -28.684 -28.989 1.00 0.00 C ATOM 11 O SER A 2 -15.602 -28.301 -30.156 1.00 0.00 O ATOM 12 CB SER A 2 -13.234 -29.286 -29.125 1.00 0.00 C ATOM 13 OG SER A 2 -12.141 -29.966 -28.515 1.00 0.00 O ATOM 0 H SER A 2 -14.879 -31.425 -27.537 1.00 0.00 H new ATOM 0 HA SER A 2 -14.409 -29.255 -27.343 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.331 -29.612 -30.160 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.029 -28.216 -29.146 1.00 0.00 H new ATOM 0 HG SER A 2 -11.320 -29.782 -29.017 1.00 0.00 H new ATOM 19 N SER A 3 -16.669 -28.410 -28.165 1.00 0.00 N ATOM 20 CA SER A 3 -17.800 -27.609 -28.602 1.00 0.00 C ATOM 21 C SER A 3 -18.535 -27.037 -27.388 1.00 0.00 C ATOM 22 O SER A 3 -19.121 -27.782 -26.605 1.00 0.00 O ATOM 23 CB SER A 3 -18.758 -28.433 -29.464 1.00 0.00 C ATOM 24 OG SER A 3 -18.681 -28.074 -30.840 1.00 0.00 O ATOM 0 H SER A 3 -16.720 -28.728 -27.197 1.00 0.00 H new ATOM 0 HA SER A 3 -17.423 -26.787 -29.211 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.526 -29.492 -29.352 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.779 -28.291 -29.109 1.00 0.00 H new ATOM 0 HG SER A 3 -17.741 -28.000 -31.107 1.00 0.00 H new ATOM 30 N GLY A 4 -18.480 -25.718 -27.271 1.00 0.00 N ATOM 31 CA GLY A 4 -19.134 -25.038 -26.166 1.00 0.00 C ATOM 32 C GLY A 4 -20.498 -25.663 -25.867 1.00 0.00 C ATOM 33 O GLY A 4 -21.309 -25.854 -26.772 1.00 0.00 O ATOM 0 H GLY A 4 -17.993 -25.103 -27.923 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.504 -25.090 -25.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.259 -23.982 -26.407 1.00 0.00 H new ATOM 37 N SER A 5 -20.709 -25.964 -24.594 1.00 0.00 N ATOM 38 CA SER A 5 -21.961 -26.563 -24.165 1.00 0.00 C ATOM 39 C SER A 5 -22.171 -26.323 -22.668 1.00 0.00 C ATOM 40 O SER A 5 -23.173 -25.735 -22.265 1.00 0.00 O ATOM 41 CB SER A 5 -21.987 -28.063 -24.470 1.00 0.00 C ATOM 42 OG SER A 5 -23.139 -28.699 -23.922 1.00 0.00 O ATOM 0 H SER A 5 -20.034 -25.804 -23.846 1.00 0.00 H new ATOM 0 HA SER A 5 -22.773 -26.092 -24.720 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.968 -28.214 -25.549 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.089 -28.531 -24.067 1.00 0.00 H new ATOM 0 HG SER A 5 -23.120 -29.654 -24.139 1.00 0.00 H new ATOM 48 N SER A 6 -21.209 -26.790 -21.886 1.00 0.00 N ATOM 49 CA SER A 6 -21.275 -26.633 -20.443 1.00 0.00 C ATOM 50 C SER A 6 -20.806 -25.231 -20.047 1.00 0.00 C ATOM 51 O SER A 6 -19.991 -24.626 -20.742 1.00 0.00 O ATOM 52 CB SER A 6 -20.432 -27.694 -19.734 1.00 0.00 C ATOM 53 OG SER A 6 -21.138 -28.922 -19.581 1.00 0.00 O ATOM 0 H SER A 6 -20.379 -27.277 -22.224 1.00 0.00 H new ATOM 0 HA SER A 6 -22.311 -26.764 -20.132 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.518 -27.870 -20.301 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.132 -27.323 -18.754 1.00 0.00 H new ATOM 0 HG SER A 6 -20.565 -29.574 -19.126 1.00 0.00 H new ATOM 59 N GLY A 7 -21.341 -24.756 -18.932 1.00 0.00 N ATOM 60 CA GLY A 7 -20.987 -23.437 -18.435 1.00 0.00 C ATOM 61 C GLY A 7 -19.472 -23.299 -18.277 1.00 0.00 C ATOM 62 O GLY A 7 -18.777 -22.928 -19.222 1.00 0.00 O ATOM 0 H GLY A 7 -22.017 -25.261 -18.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.355 -22.675 -19.122 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.474 -23.263 -17.475 1.00 0.00 H new ATOM 66 N MET A 8 -19.004 -23.604 -17.075 1.00 0.00 N ATOM 67 CA MET A 8 -17.584 -23.518 -16.781 1.00 0.00 C ATOM 68 C MET A 8 -17.078 -22.082 -16.934 1.00 0.00 C ATOM 69 O MET A 8 -17.054 -21.543 -18.039 1.00 0.00 O ATOM 70 CB MET A 8 -16.810 -24.436 -17.729 1.00 0.00 C ATOM 71 CG MET A 8 -16.315 -25.687 -16.999 1.00 0.00 C ATOM 72 SD MET A 8 -14.845 -26.315 -17.793 1.00 0.00 S ATOM 73 CE MET A 8 -14.210 -27.356 -16.489 1.00 0.00 C ATOM 0 H MET A 8 -19.583 -23.911 -16.294 1.00 0.00 H new ATOM 0 HA MET A 8 -17.426 -23.831 -15.749 1.00 0.00 H new ATOM 0 HB2 MET A 8 -17.450 -24.726 -18.563 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.962 -23.897 -18.151 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.102 -25.450 -15.957 1.00 0.00 H new ATOM 0 HG3 MET A 8 -17.093 -26.450 -17.000 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.286 -27.830 -16.819 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.012 -26.751 -15.604 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.945 -28.124 -16.246 1.00 0.00 H new ATOM 83 N SER A 9 -16.686 -21.504 -15.808 1.00 0.00 N ATOM 84 CA SER A 9 -16.182 -20.141 -15.803 1.00 0.00 C ATOM 85 C SER A 9 -14.652 -20.149 -15.844 1.00 0.00 C ATOM 86 O SER A 9 -14.029 -21.196 -15.679 1.00 0.00 O ATOM 87 CB SER A 9 -16.676 -19.376 -14.573 1.00 0.00 C ATOM 88 OG SER A 9 -18.056 -19.037 -14.675 1.00 0.00 O ATOM 0 H SER A 9 -16.707 -21.954 -14.893 1.00 0.00 H new ATOM 0 HA SER A 9 -16.560 -19.633 -16.690 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.516 -19.982 -13.681 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.087 -18.467 -14.451 1.00 0.00 H new ATOM 0 HG SER A 9 -18.334 -18.551 -13.870 1.00 0.00 H new ATOM 94 N GLN A 10 -14.092 -18.969 -16.065 1.00 0.00 N ATOM 95 CA GLN A 10 -12.648 -18.826 -16.130 1.00 0.00 C ATOM 96 C GLN A 10 -12.071 -18.616 -14.728 1.00 0.00 C ATOM 97 O GLN A 10 -11.313 -17.675 -14.500 1.00 0.00 O ATOM 98 CB GLN A 10 -12.251 -17.681 -17.063 1.00 0.00 C ATOM 99 CG GLN A 10 -13.003 -16.397 -16.706 1.00 0.00 C ATOM 100 CD GLN A 10 -12.136 -15.163 -16.966 1.00 0.00 C ATOM 101 OE1 GLN A 10 -11.102 -15.224 -17.610 1.00 0.00 O ATOM 102 NE2 GLN A 10 -12.614 -14.044 -16.431 1.00 0.00 N ATOM 0 H GLN A 10 -14.613 -18.103 -16.201 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.230 -19.746 -16.540 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.177 -17.508 -16.996 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.466 -17.957 -18.095 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.919 -16.333 -17.293 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.298 -16.424 -15.657 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.487 -14.063 -15.903 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.108 -13.166 -16.548 1.00 0.00 H new ATOM 111 N LEU A 11 -12.454 -19.508 -13.826 1.00 0.00 N ATOM 112 CA LEU A 11 -11.985 -19.432 -12.453 1.00 0.00 C ATOM 113 C LEU A 11 -10.479 -19.159 -12.447 1.00 0.00 C ATOM 114 O LEU A 11 -9.723 -19.814 -13.163 1.00 0.00 O ATOM 115 CB LEU A 11 -12.384 -20.690 -11.680 1.00 0.00 C ATOM 116 CG LEU A 11 -13.754 -20.653 -10.999 1.00 0.00 C ATOM 117 CD1 LEU A 11 -14.787 -21.446 -11.803 1.00 0.00 C ATOM 118 CD2 LEU A 11 -13.661 -21.137 -9.551 1.00 0.00 C ATOM 0 H LEU A 11 -13.084 -20.287 -14.019 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.462 -18.601 -11.933 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.365 -21.536 -12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.627 -20.880 -10.919 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.093 -19.617 -10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.752 -21.404 -11.298 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.881 -21.016 -12.800 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.465 -22.484 -11.885 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.648 -21.100 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.290 -22.162 -9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.978 -20.494 -8.996 1.00 0.00 H new ATOM 130 N GLY A 12 -10.089 -18.191 -11.631 1.00 0.00 N ATOM 131 CA GLY A 12 -8.687 -17.823 -11.523 1.00 0.00 C ATOM 132 C GLY A 12 -8.166 -18.061 -10.104 1.00 0.00 C ATOM 133 O GLY A 12 -7.648 -19.134 -9.801 1.00 0.00 O ATOM 0 H GLY A 12 -10.719 -17.650 -11.038 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.099 -18.405 -12.233 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.561 -16.774 -11.789 1.00 0.00 H new ATOM 137 N SER A 13 -8.321 -17.041 -9.272 1.00 0.00 N ATOM 138 CA SER A 13 -7.873 -17.126 -7.893 1.00 0.00 C ATOM 139 C SER A 13 -8.254 -15.850 -7.140 1.00 0.00 C ATOM 140 O SER A 13 -8.721 -15.912 -6.003 1.00 0.00 O ATOM 141 CB SER A 13 -6.362 -17.355 -7.818 1.00 0.00 C ATOM 142 OG SER A 13 -5.641 -16.432 -8.629 1.00 0.00 O ATOM 0 H SER A 13 -8.751 -16.152 -9.527 1.00 0.00 H new ATOM 0 HA SER A 13 -8.366 -17.978 -7.425 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.032 -17.263 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.133 -18.372 -8.136 1.00 0.00 H new ATOM 0 HG SER A 13 -4.680 -16.610 -8.552 1.00 0.00 H new ATOM 148 N ARG A 14 -8.040 -14.723 -7.803 1.00 0.00 N ATOM 149 CA ARG A 14 -8.356 -13.434 -7.210 1.00 0.00 C ATOM 150 C ARG A 14 -7.674 -13.296 -5.848 1.00 0.00 C ATOM 151 O ARG A 14 -7.111 -14.260 -5.330 1.00 0.00 O ATOM 152 CB ARG A 14 -9.866 -13.263 -7.037 1.00 0.00 C ATOM 153 CG ARG A 14 -10.531 -12.885 -8.362 1.00 0.00 C ATOM 154 CD ARG A 14 -11.714 -13.807 -8.664 1.00 0.00 C ATOM 155 NE ARG A 14 -12.929 -13.002 -8.921 1.00 0.00 N ATOM 156 CZ ARG A 14 -14.120 -13.524 -9.248 1.00 0.00 C ATOM 157 NH1 ARG A 14 -14.262 -14.851 -9.360 1.00 0.00 N ATOM 158 NH2 ARG A 14 -15.168 -12.717 -9.463 1.00 0.00 N ATOM 0 H ARG A 14 -7.652 -14.675 -8.745 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.990 -12.660 -7.884 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.299 -14.189 -6.660 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.065 -12.492 -6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.873 -11.851 -8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.802 -12.947 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -11.489 -14.429 -9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -11.885 -14.481 -7.824 1.00 0.00 H new ATOM 0 HE ARG A 14 -12.856 -11.987 -8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.464 -15.465 -9.197 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -15.168 -15.248 -9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -15.059 -11.706 -9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -16.074 -13.113 -9.712 1.00 0.00 H new ATOM 172 N GLY A 15 -7.746 -12.089 -5.306 1.00 0.00 N ATOM 173 CA GLY A 15 -7.142 -11.812 -4.013 1.00 0.00 C ATOM 174 C GLY A 15 -7.513 -10.411 -3.524 1.00 0.00 C ATOM 175 O GLY A 15 -8.553 -9.873 -3.901 1.00 0.00 O ATOM 0 H GLY A 15 -8.213 -11.292 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.473 -12.554 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.058 -11.900 -4.087 1.00 0.00 H new ATOM 179 N ARG A 16 -6.643 -9.860 -2.691 1.00 0.00 N ATOM 180 CA ARG A 16 -6.866 -8.531 -2.146 1.00 0.00 C ATOM 181 C ARG A 16 -5.530 -7.844 -1.858 1.00 0.00 C ATOM 182 O ARG A 16 -4.580 -8.487 -1.415 1.00 0.00 O ATOM 183 CB ARG A 16 -7.687 -8.596 -0.856 1.00 0.00 C ATOM 184 CG ARG A 16 -8.808 -7.556 -0.867 1.00 0.00 C ATOM 185 CD ARG A 16 -10.127 -8.166 -0.388 1.00 0.00 C ATOM 186 NE ARG A 16 -10.473 -7.638 0.951 1.00 0.00 N ATOM 187 CZ ARG A 16 -11.075 -6.460 1.161 1.00 0.00 C ATOM 188 NH1 ARG A 16 -11.403 -5.680 0.122 1.00 0.00 N ATOM 189 NH2 ARG A 16 -11.350 -6.061 2.411 1.00 0.00 N ATOM 0 H ARG A 16 -5.782 -10.309 -2.380 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.421 -7.957 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.112 -9.593 -0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.037 -8.426 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.537 -6.717 -0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.931 -7.160 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.923 -7.934 -1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.042 -9.252 -0.349 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.238 -8.207 1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.194 -5.983 -0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.861 -4.783 0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.101 -6.654 3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.808 -5.164 2.571 1.00 0.00 H new ATOM 203 N LEU A 17 -5.500 -6.546 -2.123 1.00 0.00 N ATOM 204 CA LEU A 17 -4.296 -5.764 -1.898 1.00 0.00 C ATOM 205 C LEU A 17 -4.225 -5.356 -0.425 1.00 0.00 C ATOM 206 O LEU A 17 -5.255 -5.157 0.218 1.00 0.00 O ATOM 207 CB LEU A 17 -4.236 -4.582 -2.867 1.00 0.00 C ATOM 208 CG LEU A 17 -3.786 -4.906 -4.293 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.292 -3.852 -5.280 1.00 0.00 C ATOM 210 CD2 LEU A 17 -2.267 -5.076 -4.364 1.00 0.00 C ATOM 0 H LEU A 17 -6.290 -6.016 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.409 -6.362 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.225 -4.126 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.559 -3.834 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.230 -5.858 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.958 -4.106 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.381 -3.824 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.897 -2.875 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.974 -5.306 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.782 -4.153 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.961 -5.891 -3.708 1.00 0.00 H new ATOM 222 N TRP A 18 -3.000 -5.244 0.067 1.00 0.00 N ATOM 223 CA TRP A 18 -2.782 -4.864 1.452 1.00 0.00 C ATOM 224 C TRP A 18 -1.303 -4.507 1.617 1.00 0.00 C ATOM 225 O TRP A 18 -0.480 -4.853 0.772 1.00 0.00 O ATOM 226 CB TRP A 18 -3.239 -5.971 2.404 1.00 0.00 C ATOM 227 CG TRP A 18 -2.610 -7.336 2.118 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.051 -8.290 1.287 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.400 -7.864 2.702 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.217 -9.390 1.291 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.181 -9.122 2.179 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.520 -7.297 3.640 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.087 -9.920 2.534 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.569 -8.107 3.984 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.804 -9.376 3.467 1.00 0.00 C ATOM 0 H TRP A 18 -2.148 -5.410 -0.469 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.382 -3.992 1.711 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.999 -5.679 3.426 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.324 -6.062 2.345 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.947 -8.209 0.689 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.338 -10.242 0.744 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.672 -6.314 4.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.062 -10.902 2.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.276 -7.719 4.702 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.669 -9.939 3.783 1.00 0.00 H new ATOM 246 N LEU A 19 -1.012 -3.818 2.711 1.00 0.00 N ATOM 247 CA LEU A 19 0.353 -3.411 2.998 1.00 0.00 C ATOM 248 C LEU A 19 0.886 -4.225 4.178 1.00 0.00 C ATOM 249 O LEU A 19 0.188 -4.414 5.173 1.00 0.00 O ATOM 250 CB LEU A 19 0.426 -1.897 3.211 1.00 0.00 C ATOM 251 CG LEU A 19 -0.312 -1.038 2.182 1.00 0.00 C ATOM 252 CD1 LEU A 19 -0.705 0.314 2.779 1.00 0.00 C ATOM 253 CD2 LEU A 19 0.515 -0.883 0.904 1.00 0.00 C ATOM 0 H LEU A 19 -1.698 -3.531 3.409 1.00 0.00 H new ATOM 0 HA LEU A 19 1.001 -3.622 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.026 -1.669 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.475 -1.601 3.216 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.235 -1.549 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.228 0.905 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.359 0.157 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.192 0.845 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.032 -0.268 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.465 -0.405 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.702 -1.865 0.470 1.00 0.00 H new ATOM 265 N GLN A 20 2.120 -4.685 4.029 1.00 0.00 N ATOM 266 CA GLN A 20 2.755 -5.474 5.070 1.00 0.00 C ATOM 267 C GLN A 20 3.662 -4.590 5.928 1.00 0.00 C ATOM 268 O GLN A 20 4.815 -4.347 5.573 1.00 0.00 O ATOM 269 CB GLN A 20 3.538 -6.644 4.471 1.00 0.00 C ATOM 270 CG GLN A 20 3.924 -7.657 5.551 1.00 0.00 C ATOM 271 CD GLN A 20 4.136 -9.047 4.948 1.00 0.00 C ATOM 272 OE1 GLN A 20 4.754 -9.037 3.771 1.00 0.00 O flip ATOM 273 NE2 GLN A 20 3.764 -10.061 5.515 1.00 0.00 N flip ATOM 0 H GLN A 20 2.697 -4.526 3.203 1.00 0.00 H new ATOM 0 HA GLN A 20 1.976 -5.890 5.709 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.937 -7.135 3.706 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.437 -6.271 3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.836 -7.331 6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.142 -7.701 6.309 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.295 -9.997 6.418 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.922 -10.973 5.086 1.00 0.00 H new ATOM 282 N SER A 21 3.108 -4.132 7.041 1.00 0.00 N ATOM 283 CA SER A 21 3.852 -3.279 7.952 1.00 0.00 C ATOM 284 C SER A 21 4.980 -4.076 8.611 1.00 0.00 C ATOM 285 O SER A 21 4.849 -5.279 8.830 1.00 0.00 O ATOM 286 CB SER A 21 2.934 -2.679 9.018 1.00 0.00 C ATOM 287 OG SER A 21 1.681 -3.353 9.085 1.00 0.00 O ATOM 0 H SER A 21 2.152 -4.336 7.333 1.00 0.00 H new ATOM 0 HA SER A 21 4.282 -2.458 7.378 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.425 -2.730 9.990 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.767 -1.624 8.800 1.00 0.00 H new ATOM 0 HG SER A 21 1.577 -3.763 9.969 1.00 0.00 H new ATOM 293 N PRO A 22 6.092 -3.355 8.916 1.00 0.00 N ATOM 294 CA PRO A 22 7.242 -3.981 9.545 1.00 0.00 C ATOM 295 C PRO A 22 6.973 -4.259 11.025 1.00 0.00 C ATOM 296 O PRO A 22 6.105 -3.631 11.631 1.00 0.00 O ATOM 297 CB PRO A 22 8.390 -3.011 9.321 1.00 0.00 C ATOM 298 CG PRO A 22 7.748 -1.675 8.987 1.00 0.00 C ATOM 299 CD PRO A 22 6.283 -1.928 8.671 1.00 0.00 C ATOM 0 HA PRO A 22 7.475 -4.957 9.119 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.014 -2.933 10.211 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.034 -3.349 8.509 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.844 -0.985 9.825 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.248 -1.213 8.136 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.632 -1.327 9.305 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.050 -1.669 7.638 1.00 0.00 H new ATOM 307 N THR A 23 7.734 -5.199 11.566 1.00 0.00 N ATOM 308 CA THR A 23 7.589 -5.567 12.964 1.00 0.00 C ATOM 309 C THR A 23 7.379 -4.320 13.825 1.00 0.00 C ATOM 310 O THR A 23 7.676 -3.207 13.394 1.00 0.00 O ATOM 311 CB THR A 23 8.818 -6.384 13.367 1.00 0.00 C ATOM 312 OG1 THR A 23 8.639 -6.615 14.762 1.00 0.00 O ATOM 313 CG2 THR A 23 10.113 -5.573 13.288 1.00 0.00 C ATOM 0 H THR A 23 8.453 -5.717 11.061 1.00 0.00 H new ATOM 0 HA THR A 23 6.704 -6.184 13.121 1.00 0.00 H new ATOM 0 HB THR A 23 8.898 -7.260 12.723 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.391 -7.141 15.106 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.954 -6.200 13.584 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.262 -5.225 12.266 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.047 -4.715 13.957 1.00 0.00 H new ATOM 321 N GLY A 24 6.869 -4.548 15.026 1.00 0.00 N ATOM 322 CA GLY A 24 6.615 -3.457 15.951 1.00 0.00 C ATOM 323 C GLY A 24 5.815 -2.341 15.277 1.00 0.00 C ATOM 324 O GLY A 24 6.051 -1.161 15.533 1.00 0.00 O ATOM 0 H GLY A 24 6.625 -5.473 15.380 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.068 -3.830 16.817 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.561 -3.060 16.319 1.00 0.00 H new ATOM 328 N GLY A 25 4.885 -2.754 14.428 1.00 0.00 N ATOM 329 CA GLY A 25 4.048 -1.803 13.715 1.00 0.00 C ATOM 330 C GLY A 25 2.578 -2.226 13.759 1.00 0.00 C ATOM 331 O GLY A 25 2.215 -3.146 14.490 1.00 0.00 O ATOM 0 H GLY A 25 4.693 -3.733 14.218 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.159 -0.813 14.157 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.378 -1.728 12.679 1.00 0.00 H new ATOM 335 N PRO A 26 1.751 -1.516 12.946 1.00 0.00 N ATOM 336 CA PRO A 26 0.329 -1.808 12.885 1.00 0.00 C ATOM 337 C PRO A 26 0.066 -3.089 12.091 1.00 0.00 C ATOM 338 O PRO A 26 0.985 -3.661 11.507 1.00 0.00 O ATOM 339 CB PRO A 26 -0.299 -0.577 12.252 1.00 0.00 C ATOM 340 CG PRO A 26 0.836 0.160 11.560 1.00 0.00 C ATOM 341 CD PRO A 26 2.146 -0.420 12.067 1.00 0.00 C ATOM 0 HA PRO A 26 -0.104 -1.999 13.867 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.075 -0.857 11.539 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.771 0.052 13.006 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.761 0.046 10.478 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.784 1.228 11.773 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.766 -0.776 11.244 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.729 0.328 12.604 1.00 0.00 H new ATOM 349 N PRO A 27 -1.226 -3.512 12.095 1.00 0.00 N ATOM 350 CA PRO A 27 -1.622 -4.715 11.382 1.00 0.00 C ATOM 351 C PRO A 27 -1.671 -4.466 9.873 1.00 0.00 C ATOM 352 O PRO A 27 -1.507 -3.334 9.421 1.00 0.00 O ATOM 353 CB PRO A 27 -2.974 -5.092 11.966 1.00 0.00 C ATOM 354 CG PRO A 27 -3.497 -3.838 12.649 1.00 0.00 C ATOM 355 CD PRO A 27 -2.341 -2.859 12.775 1.00 0.00 C ATOM 0 HA PRO A 27 -0.909 -5.531 11.504 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.658 -5.425 11.185 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.877 -5.913 12.677 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.308 -3.398 12.069 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.902 -4.079 13.632 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.581 -1.902 12.312 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.105 -2.658 13.820 1.00 0.00 H new ATOM 363 N PRO A 28 -1.904 -5.572 9.116 1.00 0.00 N ATOM 364 CA PRO A 28 -1.977 -5.485 7.667 1.00 0.00 C ATOM 365 C PRO A 28 -3.300 -4.859 7.221 1.00 0.00 C ATOM 366 O PRO A 28 -4.359 -5.467 7.368 1.00 0.00 O ATOM 367 CB PRO A 28 -1.801 -6.914 7.178 1.00 0.00 C ATOM 368 CG PRO A 28 -2.101 -7.803 8.374 1.00 0.00 C ATOM 369 CD PRO A 28 -2.103 -6.929 9.617 1.00 0.00 C ATOM 0 HA PRO A 28 -1.209 -4.836 7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.478 -7.130 6.351 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.788 -7.080 6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.066 -8.294 8.252 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.352 -8.590 8.462 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.043 -7.016 10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.309 -7.218 10.305 1.00 0.00 H new ATOM 377 N ILE A 29 -3.195 -3.652 6.685 1.00 0.00 N ATOM 378 CA ILE A 29 -4.370 -2.937 6.217 1.00 0.00 C ATOM 379 C ILE A 29 -4.714 -3.403 4.800 1.00 0.00 C ATOM 380 O ILE A 29 -3.823 -3.700 4.007 1.00 0.00 O ATOM 381 CB ILE A 29 -4.160 -1.426 6.333 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.022 -1.003 7.797 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.274 -0.660 5.617 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.631 -0.428 8.073 1.00 0.00 C ATOM 0 H ILE A 29 -2.315 -3.151 6.564 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.230 -3.165 6.846 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.224 -1.172 5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.781 -0.259 8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.200 -1.861 8.445 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.100 0.412 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.282 -0.931 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.235 -0.914 6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.560 -0.135 9.121 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.875 -1.183 7.855 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.466 0.444 7.440 1.00 0.00 H new ATOM 396 N PHE A 30 -6.010 -3.451 4.526 1.00 0.00 N ATOM 397 CA PHE A 30 -6.483 -3.875 3.219 1.00 0.00 C ATOM 398 C PHE A 30 -6.973 -2.680 2.399 1.00 0.00 C ATOM 399 O PHE A 30 -7.902 -1.984 2.805 1.00 0.00 O ATOM 400 CB PHE A 30 -7.654 -4.831 3.456 1.00 0.00 C ATOM 401 CG PHE A 30 -7.238 -6.207 3.979 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.705 -6.329 5.225 1.00 0.00 C ATOM 403 CD2 PHE A 30 -7.401 -7.309 3.199 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.318 -7.606 5.710 1.00 0.00 C ATOM 405 CE2 PHE A 30 -7.014 -8.586 3.685 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.481 -8.708 4.930 1.00 0.00 C ATOM 0 H PHE A 30 -6.747 -3.203 5.187 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.673 -4.352 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.343 -4.376 4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.200 -4.959 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.576 -5.454 5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.825 -7.213 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.894 -7.702 6.699 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.143 -9.461 3.065 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.187 -9.680 5.299 1.00 0.00 H new ATOM 416 N LEU A 31 -6.327 -2.480 1.260 1.00 0.00 N ATOM 417 CA LEU A 31 -6.685 -1.382 0.379 1.00 0.00 C ATOM 418 C LEU A 31 -8.050 -1.665 -0.253 1.00 0.00 C ATOM 419 O LEU A 31 -8.445 -2.821 -0.392 1.00 0.00 O ATOM 420 CB LEU A 31 -5.575 -1.130 -0.643 1.00 0.00 C ATOM 421 CG LEU A 31 -4.144 -1.174 -0.103 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.211 -0.307 -0.950 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.103 -0.784 1.376 1.00 0.00 C ATOM 0 H LEU A 31 -5.557 -3.060 0.927 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.781 -0.456 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.665 -1.870 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.741 -0.153 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.784 -2.200 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.200 -0.356 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.208 -0.672 -1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.559 0.726 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.074 -0.824 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.490 0.228 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.715 -1.478 1.952 1.00 0.00 H new ATOM 435 N PRO A 32 -8.750 -0.561 -0.628 1.00 0.00 N ATOM 436 CA PRO A 32 -10.061 -0.679 -1.241 1.00 0.00 C ATOM 437 C PRO A 32 -9.947 -1.142 -2.695 1.00 0.00 C ATOM 438 O PRO A 32 -9.253 -0.519 -3.496 1.00 0.00 O ATOM 439 CB PRO A 32 -10.685 0.701 -1.105 1.00 0.00 C ATOM 440 CG PRO A 32 -9.532 1.655 -0.842 1.00 0.00 C ATOM 441 CD PRO A 32 -8.313 0.824 -0.478 1.00 0.00 C ATOM 0 HA PRO A 32 -10.684 -1.433 -0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.222 0.978 -2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.406 0.725 -0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.330 2.262 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.781 2.341 -0.033 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.472 1.047 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.985 1.028 0.541 1.00 0.00 H new ATOM 449 N SER A 33 -10.639 -2.233 -2.991 1.00 0.00 N ATOM 450 CA SER A 33 -10.623 -2.788 -4.334 1.00 0.00 C ATOM 451 C SER A 33 -11.549 -1.979 -5.244 1.00 0.00 C ATOM 452 O SER A 33 -11.308 -1.875 -6.446 1.00 0.00 O ATOM 453 CB SER A 33 -11.039 -4.260 -4.327 1.00 0.00 C ATOM 454 OG SER A 33 -10.480 -4.967 -3.223 1.00 0.00 O ATOM 0 H SER A 33 -11.214 -2.747 -2.324 1.00 0.00 H new ATOM 0 HA SER A 33 -9.604 -2.729 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.126 -4.329 -4.289 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.722 -4.731 -5.257 1.00 0.00 H new ATOM 0 HG SER A 33 -10.770 -5.903 -3.253 1.00 0.00 H new ATOM 460 N ASP A 34 -12.590 -1.427 -4.637 1.00 0.00 N ATOM 461 CA ASP A 34 -13.553 -0.631 -5.378 1.00 0.00 C ATOM 462 C ASP A 34 -12.808 0.342 -6.294 1.00 0.00 C ATOM 463 O ASP A 34 -13.334 0.756 -7.326 1.00 0.00 O ATOM 464 CB ASP A 34 -14.434 0.189 -4.433 1.00 0.00 C ATOM 465 CG ASP A 34 -15.562 -0.594 -3.758 1.00 0.00 C ATOM 466 OD1 ASP A 34 -16.182 -1.418 -4.464 1.00 0.00 O ATOM 467 OD2 ASP A 34 -15.780 -0.349 -2.552 1.00 0.00 O ATOM 0 H ASP A 34 -12.787 -1.516 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.179 -1.311 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.802 0.626 -3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.871 1.016 -4.993 1.00 0.00 H new ATOM 472 N GLY A 35 -11.594 0.679 -5.882 1.00 0.00 N ATOM 473 CA GLY A 35 -10.771 1.596 -6.653 1.00 0.00 C ATOM 474 C GLY A 35 -10.477 2.869 -5.857 1.00 0.00 C ATOM 475 O GLY A 35 -9.685 3.706 -6.288 1.00 0.00 O ATOM 0 H GLY A 35 -11.161 0.334 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.835 1.109 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.279 1.853 -7.582 1.00 0.00 H new ATOM 479 N GLN A 36 -11.132 2.977 -4.710 1.00 0.00 N ATOM 480 CA GLN A 36 -10.951 4.134 -3.850 1.00 0.00 C ATOM 481 C GLN A 36 -9.467 4.335 -3.537 1.00 0.00 C ATOM 482 O GLN A 36 -8.631 3.519 -3.922 1.00 0.00 O ATOM 483 CB GLN A 36 -11.769 3.995 -2.565 1.00 0.00 C ATOM 484 CG GLN A 36 -13.123 4.695 -2.699 1.00 0.00 C ATOM 485 CD GLN A 36 -13.938 4.562 -1.411 1.00 0.00 C ATOM 486 OE1 GLN A 36 -13.963 5.444 -0.568 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.601 3.414 -1.305 1.00 0.00 N ATOM 0 H GLN A 36 -11.789 2.282 -4.356 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.313 5.016 -4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.922 2.940 -2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.215 4.423 -1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.970 5.749 -2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.679 4.264 -3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.537 2.718 -2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.174 3.230 -0.481 1.00 0.00 H new ATOM 496 N ALA A 37 -9.184 5.427 -2.841 1.00 0.00 N ATOM 497 CA ALA A 37 -7.816 5.745 -2.471 1.00 0.00 C ATOM 498 C ALA A 37 -7.722 5.884 -0.950 1.00 0.00 C ATOM 499 O ALA A 37 -8.467 6.654 -0.346 1.00 0.00 O ATOM 500 CB ALA A 37 -7.372 7.015 -3.201 1.00 0.00 C ATOM 0 H ALA A 37 -9.879 6.102 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.141 4.943 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.345 7.254 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.429 6.855 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.025 7.842 -2.922 1.00 0.00 H new ATOM 506 N LEU A 38 -6.800 5.126 -0.375 1.00 0.00 N ATOM 507 CA LEU A 38 -6.599 5.155 1.064 1.00 0.00 C ATOM 508 C LEU A 38 -5.473 6.136 1.397 1.00 0.00 C ATOM 509 O LEU A 38 -4.298 5.829 1.201 1.00 0.00 O ATOM 510 CB LEU A 38 -6.362 3.741 1.600 1.00 0.00 C ATOM 511 CG LEU A 38 -6.791 3.492 3.047 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.229 3.960 3.281 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.596 2.024 3.432 1.00 0.00 C ATOM 0 H LEU A 38 -6.184 4.488 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.496 5.516 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.892 3.037 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.299 3.514 1.513 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.150 4.084 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.509 3.771 4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.302 5.028 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.901 3.415 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.909 1.874 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.196 1.393 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.544 1.757 3.329 1.00 0.00 H new ATOM 525 N VAL A 39 -5.872 7.297 1.896 1.00 0.00 N ATOM 526 CA VAL A 39 -4.912 8.325 2.259 1.00 0.00 C ATOM 527 C VAL A 39 -4.152 7.887 3.513 1.00 0.00 C ATOM 528 O VAL A 39 -4.760 7.607 4.545 1.00 0.00 O ATOM 529 CB VAL A 39 -5.623 9.669 2.430 1.00 0.00 C ATOM 530 CG1 VAL A 39 -4.949 10.512 3.514 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.685 10.428 1.103 1.00 0.00 C ATOM 0 H VAL A 39 -6.847 7.548 2.057 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.178 8.460 1.464 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.646 9.469 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.474 11.462 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.981 9.977 4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.911 10.699 3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.195 11.380 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.673 10.611 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.231 9.835 0.370 1.00 0.00 H new ATOM 541 N LEU A 40 -2.834 7.843 3.383 1.00 0.00 N ATOM 542 CA LEU A 40 -1.986 7.444 4.493 1.00 0.00 C ATOM 543 C LEU A 40 -1.350 8.688 5.115 1.00 0.00 C ATOM 544 O LEU A 40 -1.456 9.784 4.568 1.00 0.00 O ATOM 545 CB LEU A 40 -0.969 6.395 4.040 1.00 0.00 C ATOM 546 CG LEU A 40 -1.497 4.966 3.898 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.348 3.972 3.720 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.399 4.595 5.077 1.00 0.00 C ATOM 0 H LEU A 40 -2.333 8.077 2.526 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.578 6.964 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.559 6.707 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.143 6.387 4.752 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.108 4.916 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.751 2.964 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.217 4.226 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.309 4.017 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.761 3.575 4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.832 4.667 6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.247 5.279 5.115 1.00 0.00 H new ATOM 560 N GLY A 41 -0.702 8.477 6.252 1.00 0.00 N ATOM 561 CA GLY A 41 -0.049 9.568 6.955 1.00 0.00 C ATOM 562 C GLY A 41 -0.141 9.378 8.470 1.00 0.00 C ATOM 563 O GLY A 41 -0.319 8.259 8.949 1.00 0.00 O ATOM 0 H GLY A 41 -0.616 7.566 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.997 9.624 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.512 10.514 6.675 1.00 0.00 H new ATOM 567 N ARG A 42 -0.016 10.487 9.183 1.00 0.00 N ATOM 568 CA ARG A 42 -0.083 10.457 10.634 1.00 0.00 C ATOM 569 C ARG A 42 -1.423 9.877 11.091 1.00 0.00 C ATOM 570 O ARG A 42 -2.465 10.185 10.515 1.00 0.00 O ATOM 571 CB ARG A 42 0.087 11.858 11.223 1.00 0.00 C ATOM 572 CG ARG A 42 1.436 11.996 11.931 1.00 0.00 C ATOM 573 CD ARG A 42 1.556 13.355 12.623 1.00 0.00 C ATOM 574 NE ARG A 42 1.557 14.439 11.615 1.00 0.00 N ATOM 575 CZ ARG A 42 1.385 15.735 11.905 1.00 0.00 C ATOM 576 NH1 ARG A 42 1.197 16.118 13.175 1.00 0.00 N ATOM 577 NH2 ARG A 42 1.401 16.649 10.925 1.00 0.00 N ATOM 0 H ARG A 42 0.132 11.413 8.782 1.00 0.00 H new ATOM 0 HA ARG A 42 0.731 9.825 10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.011 12.601 10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.720 12.060 11.928 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.548 11.199 12.666 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.244 11.879 11.208 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.727 13.493 13.317 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.473 13.393 13.211 1.00 0.00 H new ATOM 0 HE ARG A 42 1.698 14.183 10.638 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.185 15.422 13.921 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.066 17.105 13.396 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.544 16.358 9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.270 17.636 11.146 1.00 0.00 H new ATOM 591 N GLY A 43 -1.353 9.049 12.123 1.00 0.00 N ATOM 592 CA GLY A 43 -2.547 8.424 12.664 1.00 0.00 C ATOM 593 C GLY A 43 -2.292 6.954 13.002 1.00 0.00 C ATOM 594 O GLY A 43 -1.165 6.475 12.891 1.00 0.00 O ATOM 0 H GLY A 43 -0.487 8.797 12.599 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.866 8.957 13.560 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.360 8.499 11.942 1.00 0.00 H new ATOM 598 N PRO A 44 -3.386 6.261 13.418 1.00 0.00 N ATOM 599 CA PRO A 44 -3.292 4.856 13.772 1.00 0.00 C ATOM 600 C PRO A 44 -3.171 3.982 12.522 1.00 0.00 C ATOM 601 O PRO A 44 -3.087 2.759 12.622 1.00 0.00 O ATOM 602 CB PRO A 44 -4.548 4.568 14.579 1.00 0.00 C ATOM 603 CG PRO A 44 -5.518 5.692 14.254 1.00 0.00 C ATOM 604 CD PRO A 44 -4.737 6.797 13.561 1.00 0.00 C ATOM 0 HA PRO A 44 -2.399 4.628 14.355 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.970 3.599 14.313 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.328 4.538 15.646 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.320 5.330 13.610 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.985 6.068 15.164 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.171 7.041 12.591 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.739 7.714 14.151 1.00 0.00 H new ATOM 612 N LEU A 45 -3.166 4.644 11.375 1.00 0.00 N ATOM 613 CA LEU A 45 -3.057 3.942 10.107 1.00 0.00 C ATOM 614 C LEU A 45 -1.740 3.166 10.070 1.00 0.00 C ATOM 615 O LEU A 45 -1.740 1.940 9.969 1.00 0.00 O ATOM 616 CB LEU A 45 -3.229 4.916 8.939 1.00 0.00 C ATOM 617 CG LEU A 45 -4.665 5.342 8.627 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.108 6.487 9.541 1.00 0.00 C ATOM 619 CD2 LEU A 45 -4.823 5.696 7.147 1.00 0.00 C ATOM 0 H LEU A 45 -3.236 5.659 11.297 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.861 3.212 10.006 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.643 5.811 9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.804 4.459 8.045 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.323 4.497 8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.132 6.771 9.298 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.058 6.163 10.581 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.450 7.344 9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.853 5.995 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.153 6.518 6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.576 4.827 6.537 1.00 0.00 H new ATOM 631 N THR A 46 -0.647 3.911 10.156 1.00 0.00 N ATOM 632 CA THR A 46 0.674 3.307 10.134 1.00 0.00 C ATOM 633 C THR A 46 1.382 3.525 11.472 1.00 0.00 C ATOM 634 O THR A 46 2.566 3.221 11.609 1.00 0.00 O ATOM 635 CB THR A 46 1.438 3.885 8.941 1.00 0.00 C ATOM 636 OG1 THR A 46 1.384 5.295 9.144 1.00 0.00 O ATOM 637 CG2 THR A 46 0.704 3.672 7.616 1.00 0.00 C ATOM 0 H THR A 46 -0.650 4.927 10.241 1.00 0.00 H new ATOM 0 HA THR A 46 0.613 2.226 10.007 1.00 0.00 H new ATOM 0 HB THR A 46 2.425 3.427 8.887 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.083 5.733 8.321 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.289 4.101 6.803 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.569 2.604 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.270 4.159 7.658 1.00 0.00 H new ATOM 645 N GLN A 47 0.627 4.050 12.426 1.00 0.00 N ATOM 646 CA GLN A 47 1.167 4.312 13.749 1.00 0.00 C ATOM 647 C GLN A 47 2.241 5.400 13.678 1.00 0.00 C ATOM 648 O GLN A 47 3.108 5.479 14.547 1.00 0.00 O ATOM 649 CB GLN A 47 1.724 3.033 14.377 1.00 0.00 C ATOM 650 CG GLN A 47 0.603 2.035 14.674 1.00 0.00 C ATOM 651 CD GLN A 47 0.451 1.812 16.180 1.00 0.00 C ATOM 652 OE1 GLN A 47 1.316 2.145 16.973 1.00 0.00 O ATOM 653 NE2 GLN A 47 -0.694 1.233 16.528 1.00 0.00 N ATOM 0 H GLN A 47 -0.355 4.301 12.309 1.00 0.00 H new ATOM 0 HA GLN A 47 0.358 4.668 14.386 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.451 2.579 13.703 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.253 3.276 15.299 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.336 2.404 14.261 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.817 1.086 14.182 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.375 0.980 15.813 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.891 1.042 17.510 1.00 0.00 H new ATOM 662 N VAL A 48 2.147 6.212 12.635 1.00 0.00 N ATOM 663 CA VAL A 48 3.099 7.292 12.440 1.00 0.00 C ATOM 664 C VAL A 48 2.660 8.508 13.258 1.00 0.00 C ATOM 665 O VAL A 48 1.509 8.935 13.173 1.00 0.00 O ATOM 666 CB VAL A 48 3.246 7.597 10.948 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.008 8.905 10.727 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.923 6.437 10.215 1.00 0.00 C ATOM 0 H VAL A 48 1.426 6.144 11.916 1.00 0.00 H new ATOM 0 HA VAL A 48 4.086 6.999 12.797 1.00 0.00 H new ATOM 0 HB VAL A 48 2.246 7.718 10.532 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.098 9.097 9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.467 9.725 11.199 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.002 8.825 11.166 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.015 6.680 9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.914 6.269 10.636 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.323 5.534 10.329 1.00 0.00 H new ATOM 678 N THR A 49 3.599 9.031 14.032 1.00 0.00 N ATOM 679 CA THR A 49 3.323 10.190 14.864 1.00 0.00 C ATOM 680 C THR A 49 4.357 11.288 14.609 1.00 0.00 C ATOM 681 O THR A 49 4.713 12.034 15.520 1.00 0.00 O ATOM 682 CB THR A 49 3.277 9.725 16.321 1.00 0.00 C ATOM 683 OG1 THR A 49 4.645 9.519 16.663 1.00 0.00 O ATOM 684 CG2 THR A 49 2.643 8.341 16.475 1.00 0.00 C ATOM 0 H THR A 49 4.552 8.674 14.101 1.00 0.00 H new ATOM 0 HA THR A 49 2.358 10.633 14.618 1.00 0.00 H new ATOM 0 HB THR A 49 2.718 10.448 16.915 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.708 9.217 17.593 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.635 8.059 17.528 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.620 8.365 16.099 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.221 7.611 15.908 1.00 0.00 H new ATOM 692 N ASP A 50 4.810 11.353 13.366 1.00 0.00 N ATOM 693 CA ASP A 50 5.795 12.348 12.979 1.00 0.00 C ATOM 694 C ASP A 50 5.079 13.585 12.434 1.00 0.00 C ATOM 695 O ASP A 50 4.235 13.476 11.545 1.00 0.00 O ATOM 696 CB ASP A 50 6.717 11.813 11.882 1.00 0.00 C ATOM 697 CG ASP A 50 8.107 12.451 11.836 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.279 13.485 12.517 1.00 0.00 O ATOM 699 OD2 ASP A 50 8.966 11.890 11.122 1.00 0.00 O ATOM 0 H ASP A 50 4.513 10.732 12.613 1.00 0.00 H new ATOM 0 HA ASP A 50 6.388 12.595 13.860 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.832 10.738 12.018 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.233 11.963 10.917 1.00 0.00 H new ATOM 704 N ARG A 51 5.441 14.732 12.989 1.00 0.00 N ATOM 705 CA ARG A 51 4.843 15.988 12.568 1.00 0.00 C ATOM 706 C ARG A 51 5.088 16.220 11.076 1.00 0.00 C ATOM 707 O ARG A 51 4.247 16.797 10.388 1.00 0.00 O ATOM 708 CB ARG A 51 5.417 17.164 13.361 1.00 0.00 C ATOM 709 CG ARG A 51 4.958 17.118 14.820 1.00 0.00 C ATOM 710 CD ARG A 51 5.800 18.054 15.690 1.00 0.00 C ATOM 711 NE ARG A 51 5.346 19.452 15.516 1.00 0.00 N ATOM 712 CZ ARG A 51 5.720 20.467 16.306 1.00 0.00 C ATOM 713 NH1 ARG A 51 6.557 20.246 17.329 1.00 0.00 N ATOM 714 NH2 ARG A 51 5.258 21.703 16.074 1.00 0.00 N ATOM 0 H ARG A 51 6.141 14.818 13.726 1.00 0.00 H new ATOM 0 HA ARG A 51 3.771 15.925 12.758 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.506 17.139 13.318 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.101 18.103 12.906 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.908 17.403 14.884 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.035 16.098 15.197 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.717 17.764 16.737 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.852 17.968 15.418 1.00 0.00 H new ATOM 0 HE ARG A 51 4.708 19.655 14.746 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.909 19.305 17.506 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.842 21.019 17.931 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.621 21.872 15.295 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.543 22.475 16.676 1.00 0.00 H new ATOM 728 N LYS A 52 6.243 15.758 10.620 1.00 0.00 N ATOM 729 CA LYS A 52 6.609 15.908 9.222 1.00 0.00 C ATOM 730 C LYS A 52 5.604 15.151 8.352 1.00 0.00 C ATOM 731 O LYS A 52 5.470 15.435 7.163 1.00 0.00 O ATOM 732 CB LYS A 52 8.061 15.479 8.999 1.00 0.00 C ATOM 733 CG LYS A 52 9.022 16.361 9.799 1.00 0.00 C ATOM 734 CD LYS A 52 10.361 16.509 9.074 1.00 0.00 C ATOM 735 CE LYS A 52 10.893 17.939 9.191 1.00 0.00 C ATOM 736 NZ LYS A 52 11.490 18.377 7.909 1.00 0.00 N ATOM 0 H LYS A 52 6.937 15.280 11.194 1.00 0.00 H new ATOM 0 HA LYS A 52 6.561 16.956 8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.186 14.437 9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.303 15.540 7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.577 17.344 9.953 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.184 15.927 10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.086 15.812 9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.240 16.247 8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.083 18.613 9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.640 17.992 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.846 19.349 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.276 17.744 7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.768 18.346 7.161 1.00 0.00 H new ATOM 750 N CYS A 53 4.923 14.203 8.979 1.00 0.00 N ATOM 751 CA CYS A 53 3.933 13.404 8.277 1.00 0.00 C ATOM 752 C CYS A 53 2.636 14.210 8.193 1.00 0.00 C ATOM 753 O CYS A 53 2.291 14.936 9.124 1.00 0.00 O ATOM 754 CB CYS A 53 3.720 12.047 8.952 1.00 0.00 C ATOM 755 SG CYS A 53 4.197 10.698 7.811 1.00 0.00 S ATOM 0 H CYS A 53 5.037 13.970 9.965 1.00 0.00 H new ATOM 0 HA CYS A 53 4.287 13.184 7.270 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.313 11.989 9.865 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.675 11.936 9.243 1.00 0.00 H new ATOM 0 HG CYS A 53 3.993 11.075 6.584 1.00 0.00 H new ATOM 761 N SER A 54 1.952 14.055 7.068 1.00 0.00 N ATOM 762 CA SER A 54 0.700 14.759 6.851 1.00 0.00 C ATOM 763 C SER A 54 -0.447 13.757 6.708 1.00 0.00 C ATOM 764 O SER A 54 -0.336 12.783 5.965 1.00 0.00 O ATOM 765 CB SER A 54 0.780 15.654 5.612 1.00 0.00 C ATOM 766 OG SER A 54 0.961 17.025 5.955 1.00 0.00 O ATOM 0 H SER A 54 2.242 13.452 6.298 1.00 0.00 H new ATOM 0 HA SER A 54 0.511 15.396 7.716 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.606 15.326 4.981 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.132 15.544 5.026 1.00 0.00 H new ATOM 0 HG SER A 54 1.009 17.563 5.137 1.00 0.00 H new ATOM 772 N ARG A 55 -1.522 14.029 7.433 1.00 0.00 N ATOM 773 CA ARG A 55 -2.688 13.163 7.397 1.00 0.00 C ATOM 774 C ARG A 55 -2.912 12.634 5.979 1.00 0.00 C ATOM 775 O ARG A 55 -3.316 11.486 5.797 1.00 0.00 O ATOM 776 CB ARG A 55 -3.942 13.908 7.859 1.00 0.00 C ATOM 777 CG ARG A 55 -4.341 13.482 9.274 1.00 0.00 C ATOM 778 CD ARG A 55 -5.854 13.593 9.473 1.00 0.00 C ATOM 779 NE ARG A 55 -6.149 14.169 10.804 1.00 0.00 N ATOM 780 CZ ARG A 55 -7.385 14.366 11.281 1.00 0.00 C ATOM 781 NH1 ARG A 55 -8.450 14.035 10.538 1.00 0.00 N ATOM 782 NH2 ARG A 55 -7.557 14.894 12.500 1.00 0.00 N ATOM 0 H ARG A 55 -1.610 14.837 8.049 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.503 12.330 8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.760 14.983 7.836 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.763 13.709 7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.021 12.455 9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.828 14.107 10.004 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.287 14.219 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.314 12.609 9.384 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.361 14.433 11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.319 13.633 9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.391 14.185 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.746 15.146 13.066 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.498 15.044 12.863 1.00 0.00 H new ATOM 796 N ASN A 56 -2.640 13.495 5.010 1.00 0.00 N ATOM 797 CA ASN A 56 -2.806 13.128 3.614 1.00 0.00 C ATOM 798 C ASN A 56 -1.469 13.285 2.886 1.00 0.00 C ATOM 799 O ASN A 56 -1.375 14.018 1.904 1.00 0.00 O ATOM 800 CB ASN A 56 -3.828 14.035 2.924 1.00 0.00 C ATOM 801 CG ASN A 56 -5.130 14.103 3.725 1.00 0.00 C ATOM 802 OD1 ASN A 56 -5.140 14.324 4.925 1.00 0.00 O ATOM 803 ND2 ASN A 56 -6.224 13.901 2.998 1.00 0.00 N ATOM 0 H ASN A 56 -2.306 14.446 5.164 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.155 12.096 3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.413 15.037 2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.033 13.661 1.921 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.142 13.926 3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.145 13.721 1.997 1.00 0.00 H new ATOM 810 N GLN A 57 -0.469 12.582 3.397 1.00 0.00 N ATOM 811 CA GLN A 57 0.859 12.634 2.809 1.00 0.00 C ATOM 812 C GLN A 57 0.816 12.147 1.359 1.00 0.00 C ATOM 813 O GLN A 57 1.270 12.844 0.453 1.00 0.00 O ATOM 814 CB GLN A 57 1.856 11.816 3.633 1.00 0.00 C ATOM 815 CG GLN A 57 3.177 11.644 2.881 1.00 0.00 C ATOM 816 CD GLN A 57 3.821 13.000 2.587 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.422 14.031 3.102 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.838 12.942 1.731 1.00 0.00 N ATOM 0 H GLN A 57 -0.552 11.973 4.211 1.00 0.00 H new ATOM 0 HA GLN A 57 1.198 13.670 2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.038 12.311 4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.431 10.838 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.860 11.034 3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.001 11.111 1.947 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.122 12.045 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.334 13.794 1.470 1.00 0.00 H new ATOM 827 N VAL A 58 0.266 10.955 1.185 1.00 0.00 N ATOM 828 CA VAL A 58 0.158 10.367 -0.140 1.00 0.00 C ATOM 829 C VAL A 58 -1.196 9.666 -0.273 1.00 0.00 C ATOM 830 O VAL A 58 -1.851 9.378 0.727 1.00 0.00 O ATOM 831 CB VAL A 58 1.342 9.433 -0.396 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.594 10.227 -0.775 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.607 8.538 0.816 1.00 0.00 C ATOM 0 H VAL A 58 -0.110 10.380 1.939 1.00 0.00 H new ATOM 0 HA VAL A 58 0.200 11.141 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 58 1.085 8.790 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.421 9.540 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.400 10.802 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.854 10.906 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.454 7.884 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.833 9.158 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.724 7.933 1.022 1.00 0.00 H new ATOM 843 N GLU A 59 -1.575 9.412 -1.517 1.00 0.00 N ATOM 844 CA GLU A 59 -2.838 8.751 -1.794 1.00 0.00 C ATOM 845 C GLU A 59 -2.592 7.375 -2.417 1.00 0.00 C ATOM 846 O GLU A 59 -2.182 7.278 -3.573 1.00 0.00 O ATOM 847 CB GLU A 59 -3.722 9.612 -2.699 1.00 0.00 C ATOM 848 CG GLU A 59 -5.092 8.964 -2.907 1.00 0.00 C ATOM 849 CD GLU A 59 -6.207 10.010 -2.861 1.00 0.00 C ATOM 850 OE1 GLU A 59 -6.247 10.753 -1.856 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.993 10.045 -3.831 1.00 0.00 O ATOM 0 H GLU A 59 -1.029 9.652 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.367 8.612 -0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.847 10.600 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.233 9.753 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.112 8.448 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.263 8.211 -2.137 1.00 0.00 H new ATOM 858 N LEU A 60 -2.853 6.347 -1.624 1.00 0.00 N ATOM 859 CA LEU A 60 -2.665 4.981 -2.084 1.00 0.00 C ATOM 860 C LEU A 60 -3.950 4.492 -2.755 1.00 0.00 C ATOM 861 O LEU A 60 -5.049 4.810 -2.305 1.00 0.00 O ATOM 862 CB LEU A 60 -2.193 4.089 -0.933 1.00 0.00 C ATOM 863 CG LEU A 60 -0.687 4.082 -0.664 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.328 5.050 0.466 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.187 2.664 -0.384 1.00 0.00 C ATOM 0 H LEU A 60 -3.193 6.432 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.877 4.936 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.703 4.404 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.510 3.067 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.178 4.432 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.748 5.026 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.629 6.060 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.847 4.754 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.886 2.687 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.700 2.263 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.391 2.029 -1.247 1.00 0.00 H new ATOM 877 N ILE A 61 -3.768 3.725 -3.820 1.00 0.00 N ATOM 878 CA ILE A 61 -4.899 3.189 -4.558 1.00 0.00 C ATOM 879 C ILE A 61 -4.594 1.748 -4.973 1.00 0.00 C ATOM 880 O ILE A 61 -3.641 1.499 -5.709 1.00 0.00 O ATOM 881 CB ILE A 61 -5.257 4.104 -5.730 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.735 5.470 -5.233 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.281 3.439 -6.652 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.760 6.490 -6.373 1.00 0.00 C ATOM 0 H ILE A 61 -2.854 3.462 -4.189 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.787 3.159 -3.926 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.356 4.273 -6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.732 5.376 -4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.077 5.823 -4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.518 4.111 -7.477 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.867 2.511 -7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.189 3.220 -6.090 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.103 7.452 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.757 6.600 -6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.438 6.146 -7.154 1.00 0.00 H new ATOM 896 N ALA A 62 -5.423 0.837 -4.483 1.00 0.00 N ATOM 897 CA ALA A 62 -5.254 -0.572 -4.795 1.00 0.00 C ATOM 898 C ALA A 62 -5.720 -0.833 -6.228 1.00 0.00 C ATOM 899 O ALA A 62 -6.828 -0.454 -6.603 1.00 0.00 O ATOM 900 CB ALA A 62 -6.016 -1.416 -3.771 1.00 0.00 C ATOM 0 H ALA A 62 -6.213 1.047 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.203 -0.855 -4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.890 -2.473 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.627 -1.216 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.075 -1.161 -3.805 1.00 0.00 H new ATOM 906 N ASP A 63 -4.850 -1.478 -6.991 1.00 0.00 N ATOM 907 CA ASP A 63 -5.159 -1.794 -8.376 1.00 0.00 C ATOM 908 C ASP A 63 -5.070 -3.307 -8.581 1.00 0.00 C ATOM 909 O ASP A 63 -4.020 -3.827 -8.955 1.00 0.00 O ATOM 910 CB ASP A 63 -4.162 -1.129 -9.328 1.00 0.00 C ATOM 911 CG ASP A 63 -4.732 -0.746 -10.695 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.976 -0.733 -10.808 1.00 0.00 O ATOM 913 OD2 ASP A 63 -3.909 -0.474 -11.596 1.00 0.00 O ATOM 0 H ASP A 63 -3.931 -1.791 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.163 -1.427 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.769 -0.231 -8.850 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.320 -1.804 -9.478 1.00 0.00 H new ATOM 918 N PRO A 64 -6.217 -3.991 -8.320 1.00 0.00 N ATOM 919 CA PRO A 64 -6.279 -5.434 -8.473 1.00 0.00 C ATOM 920 C PRO A 64 -6.339 -5.828 -9.950 1.00 0.00 C ATOM 921 O PRO A 64 -6.414 -7.011 -10.278 1.00 0.00 O ATOM 922 CB PRO A 64 -7.513 -5.859 -7.694 1.00 0.00 C ATOM 923 CG PRO A 64 -8.353 -4.603 -7.525 1.00 0.00 C ATOM 924 CD PRO A 64 -7.480 -3.409 -7.876 1.00 0.00 C ATOM 0 HA PRO A 64 -5.390 -5.936 -8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.067 -6.630 -8.230 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.239 -6.278 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.229 -4.639 -8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.717 -4.522 -6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.934 -2.803 -8.660 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.335 -2.758 -7.014 1.00 0.00 H new ATOM 932 N GLU A 65 -6.304 -4.813 -10.801 1.00 0.00 N ATOM 933 CA GLU A 65 -6.354 -5.038 -12.236 1.00 0.00 C ATOM 934 C GLU A 65 -4.986 -5.492 -12.750 1.00 0.00 C ATOM 935 O GLU A 65 -4.902 -6.239 -13.724 1.00 0.00 O ATOM 936 CB GLU A 65 -6.827 -3.783 -12.972 1.00 0.00 C ATOM 937 CG GLU A 65 -6.117 -3.637 -14.319 1.00 0.00 C ATOM 938 CD GLU A 65 -6.445 -4.813 -15.242 1.00 0.00 C ATOM 939 OE1 GLU A 65 -7.180 -5.711 -14.777 1.00 0.00 O ATOM 940 OE2 GLU A 65 -5.954 -4.787 -16.391 1.00 0.00 O ATOM 0 H GLU A 65 -6.242 -3.833 -10.525 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.076 -5.830 -12.435 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.905 -3.833 -13.128 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.635 -2.903 -12.358 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.418 -2.703 -14.793 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.040 -3.582 -14.162 1.00 0.00 H new ATOM 947 N SER A 66 -3.949 -5.023 -12.071 1.00 0.00 N ATOM 948 CA SER A 66 -2.590 -5.372 -12.447 1.00 0.00 C ATOM 949 C SER A 66 -1.713 -5.482 -11.198 1.00 0.00 C ATOM 950 O SER A 66 -0.501 -5.288 -11.267 1.00 0.00 O ATOM 951 CB SER A 66 -2.005 -4.342 -13.417 1.00 0.00 C ATOM 952 OG SER A 66 -2.061 -4.790 -14.768 1.00 0.00 O ATOM 0 H SER A 66 -4.023 -4.405 -11.263 1.00 0.00 H new ATOM 0 HA SER A 66 -2.613 -6.337 -12.954 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.552 -3.404 -13.323 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.970 -4.136 -13.146 1.00 0.00 H new ATOM 0 HG SER A 66 -1.680 -4.105 -15.356 1.00 0.00 H new ATOM 958 N ARG A 67 -2.362 -5.792 -10.085 1.00 0.00 N ATOM 959 CA ARG A 67 -1.657 -5.930 -8.822 1.00 0.00 C ATOM 960 C ARG A 67 -0.706 -4.749 -8.613 1.00 0.00 C ATOM 961 O ARG A 67 0.400 -4.921 -8.102 1.00 0.00 O ATOM 962 CB ARG A 67 -0.857 -7.234 -8.777 1.00 0.00 C ATOM 963 CG ARG A 67 -1.787 -8.444 -8.669 1.00 0.00 C ATOM 964 CD ARG A 67 -2.015 -9.084 -10.039 1.00 0.00 C ATOM 965 NE ARG A 67 -1.431 -10.444 -10.066 1.00 0.00 N ATOM 966 CZ ARG A 67 -1.790 -11.399 -10.935 1.00 0.00 C ATOM 967 NH1 ARG A 67 -2.734 -11.149 -11.853 1.00 0.00 N ATOM 968 NH2 ARG A 67 -1.206 -12.604 -10.885 1.00 0.00 N ATOM 0 H ARG A 67 -3.368 -5.951 -10.032 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.402 -5.946 -8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.245 -7.320 -9.675 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.175 -7.218 -7.927 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.357 -9.178 -7.988 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.742 -8.136 -8.244 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.083 -9.133 -10.253 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.562 -8.469 -10.817 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.710 -10.668 -9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.179 -10.232 -11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.007 -11.876 -12.514 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.488 -12.794 -10.186 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.479 -13.331 -11.546 1.00 0.00 H new ATOM 982 N THR A 68 -1.171 -3.577 -9.018 1.00 0.00 N ATOM 983 CA THR A 68 -0.377 -2.368 -8.882 1.00 0.00 C ATOM 984 C THR A 68 -1.053 -1.391 -7.918 1.00 0.00 C ATOM 985 O THR A 68 -2.165 -1.640 -7.455 1.00 0.00 O ATOM 986 CB THR A 68 -0.155 -1.788 -10.280 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.396 -2.006 -10.947 1.00 0.00 O ATOM 988 CG2 THR A 68 0.854 -2.596 -11.097 1.00 0.00 C ATOM 0 H THR A 68 -2.089 -3.439 -9.441 1.00 0.00 H new ATOM 0 HA THR A 68 0.598 -2.583 -8.445 1.00 0.00 H new ATOM 0 HB THR A 68 0.191 -0.758 -10.194 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.901 -1.167 -10.980 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.974 -2.141 -12.080 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.815 -2.606 -10.582 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.494 -3.618 -11.212 1.00 0.00 H new ATOM 996 N VAL A 69 -0.353 -0.300 -7.645 1.00 0.00 N ATOM 997 CA VAL A 69 -0.872 0.716 -6.745 1.00 0.00 C ATOM 998 C VAL A 69 -0.293 2.078 -7.131 1.00 0.00 C ATOM 999 O VAL A 69 0.883 2.180 -7.479 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.576 0.330 -5.294 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.081 1.403 -4.327 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.174 -1.037 -4.957 1.00 0.00 C ATOM 0 H VAL A 69 0.569 -0.097 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.956 0.787 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 69 0.506 0.259 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.858 1.104 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.587 2.350 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.158 1.521 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.949 -1.287 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.255 -1.006 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.745 -1.794 -5.614 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.144 3.090 -7.058 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.732 4.442 -7.396 1.00 0.00 C ATOM 1014 C ALA A 70 -0.490 5.233 -6.109 1.00 0.00 C ATOM 1015 O ALA A 70 -1.241 5.102 -5.145 1.00 0.00 O ATOM 1016 CB ALA A 70 -1.791 5.091 -8.289 1.00 0.00 C ATOM 0 H ALA A 70 -2.118 3.001 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 70 0.203 4.429 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.482 6.105 -8.542 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.904 4.507 -9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.743 5.124 -7.759 1.00 0.00 H new ATOM 1022 N VAL A 71 0.563 6.038 -6.136 1.00 0.00 N ATOM 1023 CA VAL A 71 0.914 6.850 -4.984 1.00 0.00 C ATOM 1024 C VAL A 71 0.997 8.318 -5.407 1.00 0.00 C ATOM 1025 O VAL A 71 1.896 8.703 -6.153 1.00 0.00 O ATOM 1026 CB VAL A 71 2.210 6.335 -4.355 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.685 7.266 -3.238 1.00 0.00 C ATOM 1028 CG2 VAL A 71 2.038 4.904 -3.841 1.00 0.00 C ATOM 0 H VAL A 71 1.184 6.145 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 71 0.144 6.776 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 71 2.977 6.323 -5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.608 6.877 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.866 8.261 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.920 7.325 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.973 4.561 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.250 4.880 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.768 4.250 -4.670 1.00 0.00 H new ATOM 1038 N LYS A 72 0.048 9.099 -4.912 1.00 0.00 N ATOM 1039 CA LYS A 72 0.003 10.516 -5.229 1.00 0.00 C ATOM 1040 C LYS A 72 0.309 11.326 -3.968 1.00 0.00 C ATOM 1041 O LYS A 72 -0.405 11.225 -2.972 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.333 10.876 -5.883 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.435 12.383 -6.126 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.066 12.677 -7.489 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.351 13.493 -7.333 1.00 0.00 C ATOM 1046 NZ LYS A 72 -4.425 12.937 -8.188 1.00 0.00 N ATOM 0 H LYS A 72 -0.696 8.777 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 72 0.769 10.767 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.434 10.344 -6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.154 10.550 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.032 12.842 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.443 12.831 -6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.357 13.223 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.285 11.741 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.668 13.487 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.164 14.532 -7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.290 13.502 -8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.126 12.965 -9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.614 11.953 -7.911 1.00 0.00 H new ATOM 1060 N GLN A 73 1.372 12.113 -4.053 1.00 0.00 N ATOM 1061 CA GLN A 73 1.782 12.940 -2.931 1.00 0.00 C ATOM 1062 C GLN A 73 0.902 14.189 -2.843 1.00 0.00 C ATOM 1063 O GLN A 73 0.871 14.997 -3.770 1.00 0.00 O ATOM 1064 CB GLN A 73 3.260 13.317 -3.039 1.00 0.00 C ATOM 1065 CG GLN A 73 3.617 14.426 -2.047 1.00 0.00 C ATOM 1066 CD GLN A 73 5.131 14.643 -1.988 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.919 13.713 -2.026 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.491 15.920 -1.895 1.00 0.00 N ATOM 0 H GLN A 73 1.961 12.195 -4.881 1.00 0.00 H new ATOM 0 HA GLN A 73 1.654 12.364 -2.014 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.878 12.440 -2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.482 13.647 -4.054 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.124 15.353 -2.340 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.244 14.166 -1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.779 16.650 -1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.479 16.169 -1.851 1.00 0.00 H new ATOM 1077 N LEU A 74 0.209 14.308 -1.720 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.668 15.445 -1.500 1.00 0.00 C ATOM 1079 C LEU A 74 -0.177 16.236 -0.285 1.00 0.00 C ATOM 1080 O LEU A 74 -0.808 17.209 0.123 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.123 14.985 -1.386 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.498 13.741 -2.194 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.336 12.774 -1.355 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.202 14.126 -3.497 1.00 0.00 C ATOM 0 H LEU A 74 0.237 13.636 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.637 16.121 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.341 14.791 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.768 15.806 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.580 13.220 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.589 11.899 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.765 12.463 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.251 13.271 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.458 13.224 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.111 14.682 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.539 14.747 -4.099 1.00 0.00 H new ATOM 1096 N GLY A 75 0.945 15.787 0.258 1.00 0.00 N ATOM 1097 CA GLY A 75 1.529 16.440 1.417 1.00 0.00 C ATOM 1098 C GLY A 75 2.548 17.500 0.994 1.00 0.00 C ATOM 1099 O GLY A 75 2.337 18.213 0.014 1.00 0.00 O ATOM 0 H GLY A 75 1.465 14.979 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.742 16.904 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.013 15.698 2.051 1.00 0.00 H new ATOM 1103 N VAL A 76 3.631 17.570 1.754 1.00 0.00 N ATOM 1104 CA VAL A 76 4.684 18.531 1.470 1.00 0.00 C ATOM 1105 C VAL A 76 6.010 17.790 1.288 1.00 0.00 C ATOM 1106 O VAL A 76 6.694 17.973 0.283 1.00 0.00 O ATOM 1107 CB VAL A 76 4.737 19.590 2.574 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.480 18.964 3.946 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.072 20.337 2.552 1.00 0.00 C ATOM 0 H VAL A 76 3.802 16.977 2.566 1.00 0.00 H new ATOM 0 HA VAL A 76 4.478 19.060 0.540 1.00 0.00 H new ATOM 0 HB VAL A 76 3.945 20.314 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.523 19.738 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.494 18.499 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.239 18.209 4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.084 21.084 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.887 19.630 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.197 20.830 1.588 1.00 0.00 H new ATOM 1119 N ASN A 77 6.332 16.968 2.276 1.00 0.00 N ATOM 1120 CA ASN A 77 7.564 16.198 2.237 1.00 0.00 C ATOM 1121 C ASN A 77 7.505 15.207 1.073 1.00 0.00 C ATOM 1122 O ASN A 77 6.465 14.601 0.821 1.00 0.00 O ATOM 1123 CB ASN A 77 7.754 15.399 3.528 1.00 0.00 C ATOM 1124 CG ASN A 77 8.067 16.325 4.705 1.00 0.00 C ATOM 1125 OD1 ASN A 77 7.042 16.514 5.531 1.00 0.00 O flip ATOM 1126 ND2 ASN A 77 9.166 16.834 4.854 1.00 0.00 N flip ATOM 0 H ASN A 77 5.761 16.818 3.108 1.00 0.00 H new ATOM 0 HA ASN A 77 8.394 16.895 2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.852 14.826 3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.564 14.681 3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.910 16.647 4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.341 17.447 5.651 1.00 0.00 H new ATOM 1133 N PRO A 78 8.664 15.071 0.375 1.00 0.00 N ATOM 1134 CA PRO A 78 8.754 14.164 -0.757 1.00 0.00 C ATOM 1135 C PRO A 78 8.823 12.709 -0.290 1.00 0.00 C ATOM 1136 O PRO A 78 9.636 12.366 0.567 1.00 0.00 O ATOM 1137 CB PRO A 78 9.996 14.604 -1.515 1.00 0.00 C ATOM 1138 CG PRO A 78 10.811 15.433 -0.535 1.00 0.00 C ATOM 1139 CD PRO A 78 9.916 15.773 0.645 1.00 0.00 C ATOM 0 HA PRO A 78 7.875 14.205 -1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.565 13.743 -1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.730 15.190 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.687 14.877 -0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.173 16.343 -1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.359 15.445 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.758 16.848 0.725 1.00 0.00 H new ATOM 1147 N SER A 79 7.959 11.892 -0.874 1.00 0.00 N ATOM 1148 CA SER A 79 7.911 10.482 -0.529 1.00 0.00 C ATOM 1149 C SER A 79 8.751 9.672 -1.518 1.00 0.00 C ATOM 1150 O SER A 79 9.025 10.130 -2.626 1.00 0.00 O ATOM 1151 CB SER A 79 6.471 9.967 -0.510 1.00 0.00 C ATOM 1152 OG SER A 79 5.794 10.318 0.694 1.00 0.00 O ATOM 0 H SER A 79 7.286 12.180 -1.584 1.00 0.00 H new ATOM 0 HA SER A 79 8.324 10.362 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.929 10.375 -1.363 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.472 8.883 -0.622 1.00 0.00 H new ATOM 0 HG SER A 79 6.153 9.790 1.437 1.00 0.00 H new ATOM 1158 N THR A 80 9.137 8.481 -1.083 1.00 0.00 N ATOM 1159 CA THR A 80 9.940 7.603 -1.916 1.00 0.00 C ATOM 1160 C THR A 80 9.179 6.311 -2.219 1.00 0.00 C ATOM 1161 O THR A 80 8.915 5.517 -1.318 1.00 0.00 O ATOM 1162 CB THR A 80 11.276 7.370 -1.208 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.748 8.682 -0.915 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.341 6.790 -2.141 1.00 0.00 C ATOM 0 H THR A 80 8.908 8.104 -0.163 1.00 0.00 H new ATOM 0 HA THR A 80 10.145 8.057 -2.886 1.00 0.00 H new ATOM 0 HB THR A 80 11.126 6.695 -0.365 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.610 8.624 -0.453 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.269 6.644 -1.588 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.998 5.833 -2.534 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.515 7.479 -2.967 1.00 0.00 H new ATOM 1172 N VAL A 81 8.847 6.141 -3.490 1.00 0.00 N ATOM 1173 CA VAL A 81 8.121 4.959 -3.923 1.00 0.00 C ATOM 1174 C VAL A 81 9.117 3.907 -4.418 1.00 0.00 C ATOM 1175 O VAL A 81 9.335 3.772 -5.621 1.00 0.00 O ATOM 1176 CB VAL A 81 7.081 5.341 -4.978 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.590 4.105 -5.736 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.911 6.097 -4.345 1.00 0.00 C ATOM 0 H VAL A 81 9.067 6.802 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 81 7.572 4.521 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 81 7.560 6.006 -5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.852 4.404 -6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.433 3.625 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.136 3.405 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.186 6.357 -5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.433 5.466 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.279 7.007 -3.872 1.00 0.00 H new ATOM 1188 N GLY A 82 9.694 3.191 -3.465 1.00 0.00 N ATOM 1189 CA GLY A 82 10.661 2.155 -3.789 1.00 0.00 C ATOM 1190 C GLY A 82 12.092 2.671 -3.624 1.00 0.00 C ATOM 1191 O GLY A 82 12.643 2.643 -2.525 1.00 0.00 O ATOM 0 H GLY A 82 9.511 3.307 -2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.505 1.292 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.508 1.817 -4.814 1.00 0.00 H new ATOM 1195 N VAL A 83 12.652 3.130 -4.733 1.00 0.00 N ATOM 1196 CA VAL A 83 14.009 3.651 -4.726 1.00 0.00 C ATOM 1197 C VAL A 83 14.044 4.980 -5.484 1.00 0.00 C ATOM 1198 O VAL A 83 15.114 5.454 -5.863 1.00 0.00 O ATOM 1199 CB VAL A 83 14.972 2.610 -5.299 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.749 2.425 -6.802 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.426 2.986 -5.003 1.00 0.00 C ATOM 0 H VAL A 83 12.191 3.152 -5.643 1.00 0.00 H new ATOM 0 HA VAL A 83 14.337 3.850 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 83 14.766 1.658 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.446 1.680 -7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.727 2.090 -6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.915 3.373 -7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 83 17.090 2.229 -5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.650 3.954 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.575 3.043 -3.925 1.00 0.00 H new ATOM 1211 N GLN A 84 12.861 5.544 -5.681 1.00 0.00 N ATOM 1212 CA GLN A 84 12.744 6.808 -6.387 1.00 0.00 C ATOM 1213 C GLN A 84 11.986 7.825 -5.530 1.00 0.00 C ATOM 1214 O GLN A 84 10.985 7.489 -4.901 1.00 0.00 O ATOM 1215 CB GLN A 84 12.062 6.618 -7.743 1.00 0.00 C ATOM 1216 CG GLN A 84 11.621 7.961 -8.328 1.00 0.00 C ATOM 1217 CD GLN A 84 11.575 7.905 -9.857 1.00 0.00 C ATOM 1218 OE1 GLN A 84 12.590 7.881 -10.533 1.00 0.00 O ATOM 1219 NE2 GLN A 84 10.344 7.885 -10.360 1.00 0.00 N ATOM 0 H GLN A 84 11.976 5.149 -5.364 1.00 0.00 H new ATOM 0 HA GLN A 84 13.747 7.193 -6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.747 6.124 -8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.197 5.965 -7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.637 8.225 -7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.309 8.744 -8.010 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.538 7.907 -9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.206 7.847 -11.370 1.00 0.00 H new ATOM 1228 N GLU A 85 12.494 9.049 -5.534 1.00 0.00 N ATOM 1229 CA GLU A 85 11.878 10.117 -4.765 1.00 0.00 C ATOM 1230 C GLU A 85 10.708 10.723 -5.542 1.00 0.00 C ATOM 1231 O GLU A 85 10.737 10.782 -6.770 1.00 0.00 O ATOM 1232 CB GLU A 85 12.905 11.190 -4.396 1.00 0.00 C ATOM 1233 CG GLU A 85 12.831 11.531 -2.907 1.00 0.00 C ATOM 1234 CD GLU A 85 14.196 11.362 -2.236 1.00 0.00 C ATOM 1235 OE1 GLU A 85 14.657 10.202 -2.174 1.00 0.00 O ATOM 1236 OE2 GLU A 85 14.747 12.396 -1.802 1.00 0.00 O ATOM 0 H GLU A 85 13.325 9.325 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 85 11.493 9.695 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.907 10.839 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.727 12.088 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.485 12.557 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.100 10.887 -2.419 1.00 0.00 H new ATOM 1243 N LEU A 86 9.705 11.159 -4.794 1.00 0.00 N ATOM 1244 CA LEU A 86 8.527 11.758 -5.397 1.00 0.00 C ATOM 1245 C LEU A 86 8.553 13.270 -5.164 1.00 0.00 C ATOM 1246 O LEU A 86 9.540 13.808 -4.663 1.00 0.00 O ATOM 1247 CB LEU A 86 7.256 11.079 -4.881 1.00 0.00 C ATOM 1248 CG LEU A 86 6.902 9.739 -5.529 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.480 9.311 -5.160 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.110 9.790 -7.044 1.00 0.00 C ATOM 0 H LEU A 86 9.684 11.109 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 86 8.530 11.600 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.361 10.924 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.419 11.762 -5.025 1.00 0.00 H new ATOM 0 HG LEU A 86 7.579 8.980 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.253 8.356 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.400 9.208 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.772 10.064 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.851 8.825 -7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.474 10.564 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.154 10.017 -7.260 1.00 0.00 H new ATOM 1262 N LYS A 87 7.458 13.914 -5.539 1.00 0.00 N ATOM 1263 CA LYS A 87 7.343 15.353 -5.378 1.00 0.00 C ATOM 1264 C LYS A 87 5.911 15.704 -4.967 1.00 0.00 C ATOM 1265 O LYS A 87 5.030 14.846 -4.980 1.00 0.00 O ATOM 1266 CB LYS A 87 7.814 16.074 -6.643 1.00 0.00 C ATOM 1267 CG LYS A 87 9.213 16.662 -6.451 1.00 0.00 C ATOM 1268 CD LYS A 87 10.287 15.699 -6.961 1.00 0.00 C ATOM 1269 CE LYS A 87 10.859 16.175 -8.298 1.00 0.00 C ATOM 1270 NZ LYS A 87 11.576 15.072 -8.976 1.00 0.00 N ATOM 0 H LYS A 87 6.642 13.465 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 87 7.998 15.700 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.820 15.378 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.113 16.870 -6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.289 17.611 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.381 16.873 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.088 15.620 -6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.861 14.702 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.054 16.540 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.538 17.011 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.958 15.411 -9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.356 14.743 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.918 14.286 -9.151 1.00 0.00 H new ATOM 1284 N PRO A 88 5.719 17.000 -4.603 1.00 0.00 N ATOM 1285 CA PRO A 88 4.409 17.474 -4.189 1.00 0.00 C ATOM 1286 C PRO A 88 3.480 17.639 -5.393 1.00 0.00 C ATOM 1287 O PRO A 88 3.700 18.506 -6.238 1.00 0.00 O ATOM 1288 CB PRO A 88 4.676 18.782 -3.462 1.00 0.00 C ATOM 1289 CG PRO A 88 6.064 19.225 -3.896 1.00 0.00 C ATOM 1290 CD PRO A 88 6.739 18.044 -4.575 1.00 0.00 C ATOM 0 HA PRO A 88 3.893 16.769 -3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.928 19.532 -3.720 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.630 18.645 -2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.998 20.072 -4.579 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.646 19.554 -3.035 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.070 18.302 -5.581 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.621 17.721 -4.023 1.00 0.00 H new ATOM 1298 N GLY A 89 2.461 16.793 -5.434 1.00 0.00 N ATOM 1299 CA GLY A 89 1.498 16.834 -6.521 1.00 0.00 C ATOM 1300 C GLY A 89 1.839 15.799 -7.595 1.00 0.00 C ATOM 1301 O GLY A 89 1.145 15.696 -8.606 1.00 0.00 O ATOM 0 H GLY A 89 2.281 16.075 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.497 16.644 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.485 17.831 -6.962 1.00 0.00 H new ATOM 1305 N LEU A 90 2.907 15.058 -7.340 1.00 0.00 N ATOM 1306 CA LEU A 90 3.349 14.035 -8.272 1.00 0.00 C ATOM 1307 C LEU A 90 2.535 12.759 -8.046 1.00 0.00 C ATOM 1308 O LEU A 90 1.654 12.725 -7.188 1.00 0.00 O ATOM 1309 CB LEU A 90 4.861 13.828 -8.164 1.00 0.00 C ATOM 1310 CG LEU A 90 5.582 13.458 -9.462 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.019 14.246 -10.646 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.094 13.639 -9.319 1.00 0.00 C ATOM 0 H LEU A 90 3.480 15.146 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 90 3.167 14.351 -9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.306 14.743 -7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.049 13.043 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 90 5.402 12.402 -9.664 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.549 13.964 -11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.958 14.023 -10.760 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.148 15.313 -10.467 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.583 13.369 -10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.315 14.679 -9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.463 12.997 -8.519 1.00 0.00 H new ATOM 1324 N SER A 91 2.860 11.742 -8.829 1.00 0.00 N ATOM 1325 CA SER A 91 2.170 10.467 -8.725 1.00 0.00 C ATOM 1326 C SER A 91 3.029 9.356 -9.331 1.00 0.00 C ATOM 1327 O SER A 91 3.584 9.518 -10.417 1.00 0.00 O ATOM 1328 CB SER A 91 0.806 10.520 -9.416 1.00 0.00 C ATOM 1329 OG SER A 91 0.525 11.814 -9.943 1.00 0.00 O ATOM 0 H SER A 91 3.592 11.774 -9.539 1.00 0.00 H new ATOM 0 HA SER A 91 2.004 10.254 -7.669 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.779 9.787 -10.222 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.028 10.241 -8.705 1.00 0.00 H new ATOM 0 HG SER A 91 -0.353 11.807 -10.377 1.00 0.00 H new ATOM 1335 N GLY A 92 3.113 8.252 -8.604 1.00 0.00 N ATOM 1336 CA GLY A 92 3.895 7.114 -9.056 1.00 0.00 C ATOM 1337 C GLY A 92 3.095 5.816 -8.936 1.00 0.00 C ATOM 1338 O GLY A 92 1.885 5.846 -8.718 1.00 0.00 O ATOM 0 H GLY A 92 2.652 8.121 -7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.197 7.265 -10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.808 7.038 -8.466 1.00 0.00 H new ATOM 1342 N SER A 93 3.803 4.706 -9.083 1.00 0.00 N ATOM 1343 CA SER A 93 3.174 3.399 -8.994 1.00 0.00 C ATOM 1344 C SER A 93 4.005 2.479 -8.097 1.00 0.00 C ATOM 1345 O SER A 93 5.227 2.600 -8.040 1.00 0.00 O ATOM 1346 CB SER A 93 3.001 2.775 -10.380 1.00 0.00 C ATOM 1347 OG SER A 93 4.247 2.613 -11.052 1.00 0.00 O ATOM 0 H SER A 93 4.807 4.685 -9.263 1.00 0.00 H new ATOM 0 HA SER A 93 2.184 3.525 -8.557 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.513 1.805 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.344 3.404 -10.981 1.00 0.00 H new ATOM 0 HG SER A 93 4.094 2.210 -11.932 1.00 0.00 H new ATOM 1353 N LEU A 94 3.307 1.578 -7.420 1.00 0.00 N ATOM 1354 CA LEU A 94 3.965 0.638 -6.529 1.00 0.00 C ATOM 1355 C LEU A 94 3.622 -0.790 -6.958 1.00 0.00 C ATOM 1356 O LEU A 94 2.453 -1.120 -7.152 1.00 0.00 O ATOM 1357 CB LEU A 94 3.612 0.943 -5.072 1.00 0.00 C ATOM 1358 CG LEU A 94 4.786 1.304 -4.159 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.673 2.748 -3.665 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.907 0.310 -3.003 1.00 0.00 C ATOM 0 H LEU A 94 2.293 1.480 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 94 5.048 0.742 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.899 1.767 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.105 0.074 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 94 5.705 1.234 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.520 2.979 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.673 3.426 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.745 2.870 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.749 0.589 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.990 0.323 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.069 -0.692 -3.400 1.00 0.00 H new ATOM 1372 N SER A 95 4.662 -1.599 -7.094 1.00 0.00 N ATOM 1373 CA SER A 95 4.486 -2.984 -7.497 1.00 0.00 C ATOM 1374 C SER A 95 4.489 -3.892 -6.265 1.00 0.00 C ATOM 1375 O SER A 95 5.067 -3.546 -5.236 1.00 0.00 O ATOM 1376 CB SER A 95 5.578 -3.416 -8.478 1.00 0.00 C ATOM 1377 OG SER A 95 5.818 -2.430 -9.478 1.00 0.00 O ATOM 0 H SER A 95 5.630 -1.322 -6.932 1.00 0.00 H new ATOM 0 HA SER A 95 3.525 -3.073 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.501 -3.610 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.287 -4.352 -8.954 1.00 0.00 H new ATOM 0 HG SER A 95 6.522 -2.743 -10.083 1.00 0.00 H new ATOM 1383 N LEU A 96 3.837 -5.036 -6.411 1.00 0.00 N ATOM 1384 CA LEU A 96 3.757 -5.996 -5.323 1.00 0.00 C ATOM 1385 C LEU A 96 5.167 -6.295 -4.808 1.00 0.00 C ATOM 1386 O LEU A 96 5.899 -7.078 -5.412 1.00 0.00 O ATOM 1387 CB LEU A 96 2.986 -7.242 -5.763 1.00 0.00 C ATOM 1388 CG LEU A 96 1.525 -7.319 -5.318 1.00 0.00 C ATOM 1389 CD1 LEU A 96 0.785 -8.438 -6.054 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.421 -7.466 -3.799 1.00 0.00 C ATOM 0 H LEU A 96 3.359 -5.320 -7.266 1.00 0.00 H new ATOM 0 HA LEU A 96 3.194 -5.579 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.017 -7.299 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.507 -8.121 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 96 1.038 -6.381 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.252 -8.471 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.813 -8.249 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.265 -9.393 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.371 -7.518 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.930 -8.378 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.888 -6.607 -3.317 1.00 0.00 H new ATOM 1402 N GLY A 97 5.504 -5.655 -3.698 1.00 0.00 N ATOM 1403 CA GLY A 97 6.813 -5.842 -3.095 1.00 0.00 C ATOM 1404 C GLY A 97 7.525 -4.502 -2.903 1.00 0.00 C ATOM 1405 O GLY A 97 8.365 -4.363 -2.015 1.00 0.00 O ATOM 0 H GLY A 97 4.894 -5.007 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.706 -6.342 -2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.419 -6.492 -3.726 1.00 0.00 H new ATOM 1409 N ASP A 98 7.164 -3.549 -3.750 1.00 0.00 N ATOM 1410 CA ASP A 98 7.757 -2.224 -3.684 1.00 0.00 C ATOM 1411 C ASP A 98 7.452 -1.600 -2.321 1.00 0.00 C ATOM 1412 O ASP A 98 6.426 -1.900 -1.713 1.00 0.00 O ATOM 1413 CB ASP A 98 7.179 -1.308 -4.764 1.00 0.00 C ATOM 1414 CG ASP A 98 7.899 -1.364 -6.113 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.933 -2.063 -6.176 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.398 -0.707 -7.052 1.00 0.00 O ATOM 0 H ASP A 98 6.468 -3.668 -4.486 1.00 0.00 H new ATOM 0 HA ASP A 98 8.831 -2.328 -3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.132 -1.568 -4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.203 -0.281 -4.399 1.00 0.00 H new ATOM 1421 N VAL A 99 8.362 -0.744 -1.881 1.00 0.00 N ATOM 1422 CA VAL A 99 8.203 -0.075 -0.601 1.00 0.00 C ATOM 1423 C VAL A 99 7.589 1.309 -0.826 1.00 0.00 C ATOM 1424 O VAL A 99 7.542 1.795 -1.955 1.00 0.00 O ATOM 1425 CB VAL A 99 9.545 -0.021 0.131 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.410 0.709 1.470 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.119 -1.425 0.328 1.00 0.00 C ATOM 0 H VAL A 99 9.212 -0.498 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 99 7.520 -0.633 0.039 1.00 0.00 H new ATOM 0 HB VAL A 99 10.243 0.542 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.378 0.733 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.066 1.728 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.690 0.186 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.073 -1.358 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.424 -2.023 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.270 -1.896 -0.643 1.00 0.00 H new ATOM 1437 N LEU A 100 7.132 1.903 0.266 1.00 0.00 N ATOM 1438 CA LEU A 100 6.523 3.221 0.202 1.00 0.00 C ATOM 1439 C LEU A 100 6.877 4.004 1.468 1.00 0.00 C ATOM 1440 O LEU A 100 6.124 3.992 2.440 1.00 0.00 O ATOM 1441 CB LEU A 100 5.018 3.103 -0.048 1.00 0.00 C ATOM 1442 CG LEU A 100 4.252 4.423 -0.162 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.849 5.311 -1.255 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.758 4.173 -0.379 1.00 0.00 C ATOM 0 H LEU A 100 7.171 1.496 1.201 1.00 0.00 H new ATOM 0 HA LEU A 100 6.920 3.784 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.866 2.537 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.580 2.520 0.762 1.00 0.00 H new ATOM 0 HG LEU A 100 4.355 4.960 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.286 6.242 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.890 5.531 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.797 4.793 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.237 5.127 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.614 3.605 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.358 3.608 0.463 1.00 0.00 H new ATOM 1456 N TYR A 101 8.024 4.666 1.414 1.00 0.00 N ATOM 1457 CA TYR A 101 8.487 5.453 2.544 1.00 0.00 C ATOM 1458 C TYR A 101 7.532 6.613 2.833 1.00 0.00 C ATOM 1459 O TYR A 101 7.580 7.642 2.161 1.00 0.00 O ATOM 1460 CB TYR A 101 9.848 6.018 2.135 1.00 0.00 C ATOM 1461 CG TYR A 101 10.948 4.962 2.008 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.614 4.521 3.134 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.274 4.451 0.768 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.649 3.527 3.014 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.309 3.457 0.649 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.946 3.044 1.778 1.00 0.00 C ATOM 1467 OH TYR A 101 13.923 2.105 1.665 1.00 0.00 O ATOM 0 H TYR A 101 8.646 4.673 0.606 1.00 0.00 H new ATOM 0 HA TYR A 101 8.543 4.838 3.442 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.743 6.535 1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.156 6.762 2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.359 4.921 4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.753 4.797 -0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 101 13.178 3.173 3.887 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.574 3.048 -0.315 1.00 0.00 H new ATOM 0 HH TYR A 101 14.026 1.852 0.724 1.00 0.00 H new ATOM 1477 N LEU A 102 6.687 6.408 3.833 1.00 0.00 N ATOM 1478 CA LEU A 102 5.723 7.424 4.218 1.00 0.00 C ATOM 1479 C LEU A 102 6.350 8.808 4.045 1.00 0.00 C ATOM 1480 O LEU A 102 5.831 9.640 3.302 1.00 0.00 O ATOM 1481 CB LEU A 102 5.200 7.158 5.631 1.00 0.00 C ATOM 1482 CG LEU A 102 3.689 6.956 5.761 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.369 5.592 6.375 1.00 0.00 C ATOM 1484 CD2 LEU A 102 3.048 8.103 6.545 1.00 0.00 C ATOM 0 H LEU A 102 6.650 5.553 4.388 1.00 0.00 H new ATOM 0 HA LEU A 102 4.849 7.386 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.700 6.271 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.491 7.994 6.268 1.00 0.00 H new ATOM 0 HG LEU A 102 3.255 6.968 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.288 5.474 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.773 4.803 5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.817 5.525 7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.974 7.935 6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.482 8.148 7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.231 9.045 6.027 1.00 0.00 H new ATOM 1496 N VAL A 103 7.458 9.012 4.742 1.00 0.00 N ATOM 1497 CA VAL A 103 8.162 10.282 4.675 1.00 0.00 C ATOM 1498 C VAL A 103 9.555 10.121 5.286 1.00 0.00 C ATOM 1499 O VAL A 103 9.865 9.082 5.867 1.00 0.00 O ATOM 1500 CB VAL A 103 7.334 11.376 5.352 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.204 11.114 6.854 1.00 0.00 C ATOM 1502 CG2 VAL A 103 7.930 12.759 5.086 1.00 0.00 C ATOM 0 H VAL A 103 7.886 8.319 5.356 1.00 0.00 H new ATOM 0 HA VAL A 103 8.296 10.590 3.638 1.00 0.00 H new ATOM 0 HB VAL A 103 6.333 11.355 4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.611 11.906 7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.713 10.154 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.195 11.095 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.322 13.518 5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.947 12.798 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.947 12.948 4.013 1.00 0.00 H new ATOM 1512 N ASN A 104 10.357 11.165 5.135 1.00 0.00 N ATOM 1513 CA ASN A 104 11.709 11.152 5.665 1.00 0.00 C ATOM 1514 C ASN A 104 12.345 9.786 5.397 1.00 0.00 C ATOM 1515 O ASN A 104 13.005 9.223 6.270 1.00 0.00 O ATOM 1516 CB ASN A 104 11.710 11.386 7.177 1.00 0.00 C ATOM 1517 CG ASN A 104 12.643 12.540 7.553 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.827 12.364 7.786 1.00 0.00 O ATOM 1519 ND2 ASN A 104 12.044 13.726 7.599 1.00 0.00 N ATOM 0 H ASN A 104 10.096 12.025 4.653 1.00 0.00 H new ATOM 0 HA ASN A 104 12.270 11.949 5.176 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.698 11.607 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.025 10.477 7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.580 14.559 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.048 13.803 7.392 1.00 0.00 H new ATOM 1526 N GLY A 105 12.124 9.293 4.188 1.00 0.00 N ATOM 1527 CA GLY A 105 12.667 8.004 3.794 1.00 0.00 C ATOM 1528 C GLY A 105 12.555 6.991 4.935 1.00 0.00 C ATOM 1529 O GLY A 105 13.341 6.048 5.012 1.00 0.00 O ATOM 0 H GLY A 105 11.576 9.763 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.133 7.632 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.712 8.118 3.505 1.00 0.00 H new ATOM 1533 N LEU A 106 11.573 7.221 5.794 1.00 0.00 N ATOM 1534 CA LEU A 106 11.348 6.340 6.927 1.00 0.00 C ATOM 1535 C LEU A 106 9.925 5.782 6.860 1.00 0.00 C ATOM 1536 O LEU A 106 9.230 5.964 5.863 1.00 0.00 O ATOM 1537 CB LEU A 106 11.664 7.062 8.238 1.00 0.00 C ATOM 1538 CG LEU A 106 13.148 7.201 8.587 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.332 7.935 9.917 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.842 5.838 8.584 1.00 0.00 C ATOM 0 H LEU A 106 10.924 8.005 5.728 1.00 0.00 H new ATOM 0 HA LEU A 106 12.027 5.488 6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.226 8.059 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.168 6.531 9.051 1.00 0.00 H new ATOM 0 HG LEU A 106 13.625 7.807 7.816 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.395 8.020 10.141 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.895 8.931 9.846 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.837 7.377 10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.895 5.965 8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.370 5.188 9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.757 5.388 7.595 1.00 0.00 H new ATOM 1552 N TYR A 107 9.535 5.113 7.936 1.00 0.00 N ATOM 1553 CA TYR A 107 8.207 4.528 8.012 1.00 0.00 C ATOM 1554 C TYR A 107 7.787 3.944 6.661 1.00 0.00 C ATOM 1555 O TYR A 107 6.792 4.371 6.078 1.00 0.00 O ATOM 1556 CB TYR A 107 7.261 5.674 8.374 1.00 0.00 C ATOM 1557 CG TYR A 107 7.839 6.661 9.390 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.256 6.213 10.627 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.945 7.999 9.069 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.800 7.142 11.583 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.489 8.928 10.025 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.890 8.454 11.235 1.00 0.00 C ATOM 1563 OH TYR A 107 9.404 9.331 12.138 1.00 0.00 O ATOM 0 H TYR A 107 10.115 4.963 8.761 1.00 0.00 H new ATOM 0 HA TYR A 107 8.185 3.721 8.744 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.999 6.216 7.465 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.337 5.256 8.774 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.174 5.166 10.878 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.620 8.349 8.101 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.129 6.805 12.555 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.577 9.978 9.787 1.00 0.00 H new ATOM 0 HH TYR A 107 9.321 10.244 11.791 1.00 0.00 H new ATOM 1573 N PRO A 108 8.588 2.950 6.191 1.00 0.00 N ATOM 1574 CA PRO A 108 8.310 2.303 4.920 1.00 0.00 C ATOM 1575 C PRO A 108 7.127 1.340 5.042 1.00 0.00 C ATOM 1576 O PRO A 108 6.637 1.089 6.143 1.00 0.00 O ATOM 1577 CB PRO A 108 9.606 1.606 4.541 1.00 0.00 C ATOM 1578 CG PRO A 108 10.412 1.499 5.826 1.00 0.00 C ATOM 1579 CD PRO A 108 9.774 2.418 6.855 1.00 0.00 C ATOM 0 HA PRO A 108 8.012 3.009 4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.411 0.620 4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.149 2.174 3.785 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.421 0.470 6.186 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.449 1.784 5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.510 1.874 7.762 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.455 3.217 7.149 1.00 0.00 H new ATOM 1587 N LEU A 109 6.703 0.826 3.897 1.00 0.00 N ATOM 1588 CA LEU A 109 5.587 -0.104 3.862 1.00 0.00 C ATOM 1589 C LEU A 109 5.719 -1.007 2.634 1.00 0.00 C ATOM 1590 O LEU A 109 5.989 -0.528 1.534 1.00 0.00 O ATOM 1591 CB LEU A 109 4.258 0.651 3.931 1.00 0.00 C ATOM 1592 CG LEU A 109 3.839 1.146 5.316 1.00 0.00 C ATOM 1593 CD1 LEU A 109 4.047 2.656 5.444 1.00 0.00 C ATOM 1594 CD2 LEU A 109 2.398 0.737 5.632 1.00 0.00 C ATOM 0 H LEU A 109 7.112 1.036 2.987 1.00 0.00 H new ATOM 0 HA LEU A 109 5.604 -0.753 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.316 1.510 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.473 -0.000 3.547 1.00 0.00 H new ATOM 0 HG LEU A 109 4.479 0.668 6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.741 2.982 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.100 2.892 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.448 3.171 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.125 1.101 6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.726 1.168 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.315 -0.350 5.610 1.00 0.00 H new ATOM 1606 N THR A 110 5.522 -2.297 2.863 1.00 0.00 N ATOM 1607 CA THR A 110 5.616 -3.271 1.789 1.00 0.00 C ATOM 1608 C THR A 110 4.227 -3.584 1.230 1.00 0.00 C ATOM 1609 O THR A 110 3.299 -3.868 1.986 1.00 0.00 O ATOM 1610 CB THR A 110 6.346 -4.502 2.329 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.629 -4.009 2.703 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.645 -5.531 1.237 1.00 0.00 C ATOM 0 H THR A 110 5.298 -2.690 3.777 1.00 0.00 H new ATOM 0 HA THR A 110 6.189 -2.879 0.949 1.00 0.00 H new ATOM 0 HB THR A 110 5.745 -4.967 3.110 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.168 -4.742 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.164 -6.385 1.674 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.710 -5.866 0.787 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.274 -5.077 0.472 1.00 0.00 H new ATOM 1620 N LEU A 111 4.127 -3.522 -0.090 1.00 0.00 N ATOM 1621 CA LEU A 111 2.866 -3.795 -0.759 1.00 0.00 C ATOM 1622 C LEU A 111 2.750 -5.298 -1.023 1.00 0.00 C ATOM 1623 O LEU A 111 3.596 -5.880 -1.700 1.00 0.00 O ATOM 1624 CB LEU A 111 2.731 -2.937 -2.018 1.00 0.00 C ATOM 1625 CG LEU A 111 1.608 -3.330 -2.980 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.255 -3.346 -2.267 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.597 -2.421 -4.211 1.00 0.00 C ATOM 0 H LEU A 111 4.899 -3.287 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 111 2.027 -3.517 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.576 -1.902 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.676 -2.972 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 111 1.799 -4.344 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.525 -3.628 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.283 -4.067 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.042 -2.354 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.789 -2.722 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.444 -1.388 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.550 -2.505 -4.734 1.00 0.00 H new ATOM 1639 N ARG A 112 1.695 -5.882 -0.475 1.00 0.00 N ATOM 1640 CA ARG A 112 1.456 -7.306 -0.643 1.00 0.00 C ATOM 1641 C ARG A 112 0.025 -7.551 -1.125 1.00 0.00 C ATOM 1642 O ARG A 112 -0.821 -6.662 -1.046 1.00 0.00 O ATOM 1643 CB ARG A 112 1.682 -8.061 0.668 1.00 0.00 C ATOM 1644 CG ARG A 112 3.165 -8.075 1.044 1.00 0.00 C ATOM 1645 CD ARG A 112 3.929 -9.115 0.222 1.00 0.00 C ATOM 1646 NE ARG A 112 5.367 -8.768 0.178 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.321 -9.578 -0.303 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.995 -10.785 -0.784 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.600 -9.179 -0.304 1.00 0.00 N ATOM 0 H ARG A 112 0.996 -5.395 0.086 1.00 0.00 H new ATOM 0 HA ARG A 112 2.162 -7.675 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.105 -7.593 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.318 -9.084 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.595 -7.087 0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 112 3.273 -8.295 2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.798 -10.104 0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.526 -9.159 -0.790 1.00 0.00 H new ATOM 0 HE ARG A 112 5.650 -7.856 0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.021 -11.088 -0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.721 -11.401 -1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.848 -8.259 0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.326 -9.795 -0.670 1.00 0.00 H new ATOM 1663 N TRP A 113 -0.201 -8.761 -1.615 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.515 -9.135 -2.110 1.00 0.00 C ATOM 1665 C TRP A 113 -1.843 -10.531 -1.575 1.00 0.00 C ATOM 1666 O TRP A 113 -1.007 -11.432 -1.631 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.570 -9.051 -3.636 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.441 -10.128 -4.288 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.280 -11.457 -4.243 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.622 -9.910 -5.088 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.267 -12.110 -4.954 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -4.109 -11.139 -5.483 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -4.259 -8.714 -5.465 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -5.253 -11.292 -6.276 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -5.400 -8.884 -6.257 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.903 -10.114 -6.664 1.00 0.00 C ATOM 0 H TRP A 113 0.504 -9.495 -1.680 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.274 -8.439 -1.753 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.949 -8.070 -3.922 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.557 -9.129 -4.031 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.479 -11.955 -3.717 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.361 -13.119 -5.070 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.896 -7.741 -5.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.614 -12.266 -6.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.927 -7.996 -6.575 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.791 -10.161 -7.277 1.00 0.00 H new ATOM 1687 N SER A 114 -3.060 -10.666 -1.070 1.00 0.00 N ATOM 1688 CA SER A 114 -3.508 -11.936 -0.526 1.00 0.00 C ATOM 1689 C SER A 114 -3.868 -12.894 -1.664 1.00 0.00 C ATOM 1690 O SER A 114 -4.548 -12.508 -2.613 1.00 0.00 O ATOM 1691 CB SER A 114 -4.706 -11.745 0.406 1.00 0.00 C ATOM 1692 OG SER A 114 -4.939 -12.892 1.218 1.00 0.00 O ATOM 0 H SER A 114 -3.750 -9.916 -1.026 1.00 0.00 H new ATOM 0 HA SER A 114 -2.693 -12.364 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.534 -10.878 1.044 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.596 -11.533 -0.187 1.00 0.00 H new ATOM 0 HG SER A 114 -5.711 -12.730 1.800 1.00 0.00 H new ATOM 1698 N GLY A 115 -3.396 -14.125 -1.530 1.00 0.00 N ATOM 1699 CA GLY A 115 -3.660 -15.141 -2.534 1.00 0.00 C ATOM 1700 C GLY A 115 -3.301 -16.534 -2.013 1.00 0.00 C ATOM 1701 O GLY A 115 -3.319 -16.773 -0.806 1.00 0.00 O ATOM 0 H GLY A 115 -2.832 -14.441 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.713 -15.114 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.084 -14.926 -3.434 1.00 0.00 H new ATOM 1705 N PRO A 116 -2.975 -17.441 -2.972 1.00 0.00 N ATOM 1706 CA PRO A 116 -2.612 -18.803 -2.622 1.00 0.00 C ATOM 1707 C PRO A 116 -1.199 -18.862 -2.038 1.00 0.00 C ATOM 1708 O PRO A 116 -0.256 -19.255 -2.723 1.00 0.00 O ATOM 1709 CB PRO A 116 -2.754 -19.592 -3.914 1.00 0.00 C ATOM 1710 CG PRO A 116 -2.739 -18.565 -5.034 1.00 0.00 C ATOM 1711 CD PRO A 116 -2.943 -17.193 -4.411 1.00 0.00 C ATOM 0 HA PRO A 116 -3.250 -19.221 -1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -1.938 -20.305 -4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -3.681 -20.165 -3.922 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -1.793 -18.602 -5.574 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.527 -18.777 -5.757 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.134 -16.513 -4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.871 -16.736 -4.755 1.00 0.00 H new ATOM 1719 N SER A 117 -1.097 -18.465 -0.778 1.00 0.00 N ATOM 1720 CA SER A 117 0.185 -18.467 -0.094 1.00 0.00 C ATOM 1721 C SER A 117 0.070 -19.226 1.229 1.00 0.00 C ATOM 1722 O SER A 117 -1.028 -19.405 1.753 1.00 0.00 O ATOM 1723 CB SER A 117 0.680 -17.041 0.153 1.00 0.00 C ATOM 1724 OG SER A 117 1.326 -16.493 -0.993 1.00 0.00 O ATOM 0 H SER A 117 -1.881 -18.140 -0.213 1.00 0.00 H new ATOM 0 HA SER A 117 0.912 -18.969 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.163 -16.408 0.431 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.372 -17.038 0.995 1.00 0.00 H new ATOM 0 HG SER A 117 1.626 -15.581 -0.795 1.00 0.00 H new ATOM 1730 N SER A 118 1.220 -19.651 1.732 1.00 0.00 N ATOM 1731 CA SER A 118 1.263 -20.387 2.984 1.00 0.00 C ATOM 1732 C SER A 118 0.521 -21.717 2.836 1.00 0.00 C ATOM 1733 O SER A 118 -0.141 -21.953 1.826 1.00 0.00 O ATOM 1734 CB SER A 118 0.658 -19.567 4.126 1.00 0.00 C ATOM 1735 OG SER A 118 1.483 -18.462 4.485 1.00 0.00 O ATOM 0 H SER A 118 2.129 -19.500 1.295 1.00 0.00 H new ATOM 0 HA SER A 118 2.307 -20.586 3.228 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.326 -19.204 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.512 -20.208 4.995 1.00 0.00 H new ATOM 0 HG SER A 118 1.062 -17.963 5.216 1.00 0.00 H new ATOM 1741 N GLY A 119 0.656 -22.551 3.856 1.00 0.00 N ATOM 1742 CA GLY A 119 0.007 -23.851 3.852 1.00 0.00 C ATOM 1743 C GLY A 119 0.664 -24.788 2.837 1.00 0.00 C ATOM 1744 O GLY A 119 0.005 -25.280 1.923 1.00 0.00 O ATOM 0 H GLY A 119 1.206 -22.352 4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 119 0.061 -24.292 4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -1.050 -23.733 3.613 1.00 0.00 H new TER 1748 GLY A 119