USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 219 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 112 THR OG1 : rot -69:sc= 1.56 USER MOD Set 1.2: A 115 THR OG1 : rot -170:sc= 1.03 USER MOD Set 2.1: A 56 SER OG : rot 30:sc= -0.351 USER MOD Set 2.2: A 60 MET CE :methyl -173:sc= -0.826 (180deg=-0.782) USER MOD Set 2.3: A 85 MET CE :methyl -167:sc= -0.0609 (180deg=-0.351) USER MOD Set 3.1: A 23 ASN : amide:sc= -4.23! X(o=-3.6!,f=-3.8) USER MOD Set 3.2: A 26 LYS NZ :NH3+ -139:sc= 0.62 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ 173:sc= -0.0742 (180deg=-0.151) USER MOD Single : A 2 SER OG : rot 53:sc= 0.305 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0965) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00107 USER MOD Single : A 16 THR OG1 : rot 34:sc= 0.0755 USER MOD Single : A 17 MET CE :methyl -132:sc= -0.658 (180deg=-1.09) USER MOD Single : A 31 ASN : amide:sc= -1.96! C(o=-2!,f=-2.9!) USER MOD Single : A 32 ASN : amide:sc= -0.802! C(o=-0.8!,f=-1.9!) USER MOD Single : A 44 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.2!) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 1.08 (180deg=0.972) USER MOD Single : A 47 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.9) USER MOD Single : A 51 TYR OH : rot -150:sc= -0.82 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0442 K(o=-0.044,f=-6.3!) USER MOD Single : A 63 MET CE :methyl -132:sc= 0 (180deg=-0.0293) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0559) USER MOD Single : A 71 THR OG1 : rot -37:sc= -1.17! USER MOD Single : A 78 MET CE :methyl 159:sc= -0.435 (180deg=-1.36) USER MOD Single : A 79 SER OG : rot 67:sc= 1.23 USER MOD Single : A 87 THR OG1 : rot 64:sc= 0.311 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0387) USER MOD Single : A 94 ASN : amide:sc= 1.67 K(o=1.7,f=-7.1!) USER MOD Single : A 100 GLN : amide:sc= -0.686 K(o=-0.69,f=-1.6!) USER MOD Single : A 104 SER OG : rot -13:sc= 0.38 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= -0.0334 (180deg=-0.341) USER MOD Single : A 121 ASN : amide:sc= -6.6! C(o=-6.6!,f=-2.8!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -11.492 4.535 -13.702 1.00 0.00 N ATOM 2 CA ARG A 1 -10.230 4.350 -12.944 1.00 0.00 C ATOM 3 C ARG A 1 -10.302 3.559 -11.621 1.00 0.00 C ATOM 4 O ARG A 1 -9.628 2.546 -11.463 1.00 0.00 O ATOM 5 CB ARG A 1 -9.513 5.705 -12.775 1.00 0.00 C ATOM 6 CG ARG A 1 -10.349 6.788 -12.083 1.00 0.00 C ATOM 7 CD ARG A 1 -9.682 8.163 -12.141 1.00 0.00 C ATOM 8 NE ARG A 1 -10.516 9.114 -11.393 1.00 0.00 N ATOM 9 CZ ARG A 1 -10.098 10.151 -10.656 1.00 0.00 C ATOM 10 NH1 ARG A 1 -8.827 10.540 -10.631 1.00 0.00 N ATOM 11 NH2 ARG A 1 -10.969 10.860 -9.958 1.00 0.00 N ATOM 0 H1 ARG A 1 -11.326 5.179 -14.501 1.00 0.00 H new ATOM 0 H2 ARG A 1 -11.820 3.615 -14.061 1.00 0.00 H new ATOM 0 H3 ARG A 1 -12.217 4.941 -13.076 1.00 0.00 H new ATOM 0 HA ARG A 1 -9.639 3.679 -13.568 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -8.599 5.549 -12.202 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -9.214 6.068 -13.758 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -11.330 6.843 -12.554 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -10.511 6.509 -11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.681 8.117 -11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -9.571 8.488 -13.176 1.00 0.00 H new ATOM 0 HE ARG A 1 -11.524 8.968 -11.440 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -8.131 10.043 -11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -8.548 11.335 -10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -11.959 10.617 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.650 11.650 -9.397 1.00 0.00 H new ATOM 20 N SER A 2 -11.240 3.932 -10.750 1.00 0.00 N ATOM 21 CA SER A 2 -11.455 3.310 -9.426 1.00 0.00 C ATOM 22 C SER A 2 -12.110 1.920 -9.495 1.00 0.00 C ATOM 23 O SER A 2 -13.330 1.759 -9.502 1.00 0.00 O ATOM 24 CB SER A 2 -12.285 4.275 -8.563 1.00 0.00 C ATOM 25 OG SER A 2 -13.495 4.583 -9.253 1.00 0.00 O ATOM 0 H SER A 2 -11.892 4.693 -10.942 1.00 0.00 H new ATOM 0 HA SER A 2 -10.478 3.138 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.506 3.822 -7.597 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.720 5.186 -8.366 1.00 0.00 H new ATOM 0 HG SER A 2 -13.943 3.752 -9.514 1.00 0.00 H new ATOM 28 N ASP A 3 -11.245 0.917 -9.634 1.00 0.00 N ATOM 29 CA ASP A 3 -11.655 -0.504 -9.708 1.00 0.00 C ATOM 30 C ASP A 3 -12.102 -1.030 -8.329 1.00 0.00 C ATOM 31 O ASP A 3 -11.316 -1.559 -7.551 1.00 0.00 O ATOM 32 CB ASP A 3 -10.506 -1.358 -10.291 1.00 0.00 C ATOM 33 CG ASP A 3 -10.861 -2.837 -10.533 1.00 0.00 C ATOM 34 OD1 ASP A 3 -11.926 -3.287 -10.046 1.00 0.00 O ATOM 35 OD2 ASP A 3 -10.041 -3.493 -11.204 1.00 0.00 O ATOM 0 H ASP A 3 -10.237 1.056 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.514 -0.582 -10.375 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.186 -0.916 -11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.655 -1.309 -9.612 1.00 0.00 H new ATOM 37 N LYS A 4 -13.427 -1.034 -8.164 1.00 0.00 N ATOM 38 CA LYS A 4 -14.136 -1.482 -6.941 1.00 0.00 C ATOM 39 C LYS A 4 -13.729 -2.861 -6.362 1.00 0.00 C ATOM 40 O LYS A 4 -13.421 -2.950 -5.173 1.00 0.00 O ATOM 41 CB LYS A 4 -15.656 -1.364 -7.130 1.00 0.00 C ATOM 42 CG LYS A 4 -16.196 -2.051 -8.393 1.00 0.00 C ATOM 43 CD LYS A 4 -17.709 -1.858 -8.522 1.00 0.00 C ATOM 44 CE LYS A 4 -18.244 -2.565 -9.774 1.00 0.00 C ATOM 45 NZ LYS A 4 -19.705 -2.410 -9.838 1.00 0.00 N ATOM 0 H LYS A 4 -14.065 -0.718 -8.895 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.800 -0.793 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.152 -1.792 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.924 -0.308 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.698 -1.644 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.964 -3.115 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.207 -2.252 -7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.941 -0.794 -8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.783 -2.143 -10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.981 -3.622 -9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.068 -2.889 -10.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.136 -2.832 -8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.945 -1.399 -9.882 1.00 0.00 H new ATOM 50 N GLU A 5 -13.473 -3.823 -7.247 1.00 0.00 N ATOM 51 CA GLU A 5 -13.072 -5.183 -6.828 1.00 0.00 C ATOM 52 C GLU A 5 -11.557 -5.453 -6.834 1.00 0.00 C ATOM 53 O GLU A 5 -11.044 -6.388 -7.434 1.00 0.00 O ATOM 54 CB GLU A 5 -13.842 -6.255 -7.610 1.00 0.00 C ATOM 55 CG GLU A 5 -15.042 -6.777 -6.808 1.00 0.00 C ATOM 56 CD GLU A 5 -16.355 -6.109 -7.216 1.00 0.00 C ATOM 57 OE1 GLU A 5 -16.537 -4.922 -6.869 1.00 0.00 O ATOM 58 OE2 GLU A 5 -17.151 -6.810 -7.874 1.00 0.00 O ATOM 0 H GLU A 5 -13.533 -3.696 -8.257 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.351 -5.243 -5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.188 -5.840 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.175 -7.083 -7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.128 -7.855 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.866 -6.607 -5.746 1.00 0.00 H new ATOM 60 N LEU A 6 -10.857 -4.579 -6.121 1.00 0.00 N ATOM 61 CA LEU A 6 -9.388 -4.660 -5.997 1.00 0.00 C ATOM 62 C LEU A 6 -8.948 -5.038 -4.571 1.00 0.00 C ATOM 63 O LEU A 6 -9.297 -4.365 -3.614 1.00 0.00 O ATOM 64 CB LEU A 6 -8.829 -3.305 -6.423 1.00 0.00 C ATOM 65 CG LEU A 6 -7.390 -3.464 -6.930 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.156 -2.591 -8.159 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.401 -3.153 -5.817 1.00 0.00 C ATOM 0 H LEU A 6 -11.276 -3.799 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.998 -5.452 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.453 -2.875 -7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.852 -2.613 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.232 -4.499 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.130 -2.717 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.844 -2.886 -8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.326 -1.546 -7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.384 -3.270 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.547 -2.128 -5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.563 -3.838 -4.985 1.00 0.00 H new ATOM 69 N LYS A 7 -8.261 -6.176 -4.453 1.00 0.00 N ATOM 70 CA LYS A 7 -7.755 -6.659 -3.153 1.00 0.00 C ATOM 71 C LYS A 7 -6.509 -5.909 -2.634 1.00 0.00 C ATOM 72 O LYS A 7 -5.420 -6.008 -3.189 1.00 0.00 O ATOM 73 CB LYS A 7 -7.509 -8.177 -3.143 1.00 0.00 C ATOM 74 CG LYS A 7 -8.791 -8.960 -2.865 1.00 0.00 C ATOM 75 CD LYS A 7 -8.506 -10.459 -2.702 1.00 0.00 C ATOM 76 CE LYS A 7 -9.760 -11.235 -2.288 1.00 0.00 C ATOM 77 NZ LYS A 7 -10.142 -10.927 -0.900 1.00 0.00 N ATOM 0 H LYS A 7 -8.039 -6.786 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.563 -6.434 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.097 -8.484 -4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.764 -8.419 -2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.264 -8.577 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.496 -8.809 -3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.124 -10.860 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.727 -10.601 -1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.583 -10.986 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.579 -12.305 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.873 -11.596 -0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.308 -11.009 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.515 -9.958 -0.850 1.00 0.00 H new ATOM 82 N PHE A 8 -6.759 -5.127 -1.592 1.00 0.00 N ATOM 83 CA PHE A 8 -5.738 -4.309 -0.892 1.00 0.00 C ATOM 84 C PHE A 8 -5.203 -4.991 0.363 1.00 0.00 C ATOM 85 O PHE A 8 -5.927 -5.710 1.056 1.00 0.00 O ATOM 86 CB PHE A 8 -6.310 -2.994 -0.333 1.00 0.00 C ATOM 87 CG PHE A 8 -6.736 -1.955 -1.365 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.008 -2.143 -1.968 1.00 0.00 C ATOM 89 CD2 PHE A 8 -5.870 -0.933 -1.798 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.395 -1.332 -3.045 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.261 -0.116 -2.882 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.515 -0.323 -3.510 1.00 0.00 C ATOM 0 H PHE A 8 -7.692 -5.031 -1.190 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.978 -4.155 -1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.172 -3.232 0.290 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.561 -2.544 0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.675 -2.908 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.920 -0.776 -1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.356 -1.475 -3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.604 0.667 -3.232 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.802 0.293 -4.349 1.00 0.00 H new ATOM 94 N LEU A 9 -3.905 -4.857 0.588 1.00 0.00 N ATOM 95 CA LEU A 9 -3.331 -5.345 1.845 1.00 0.00 C ATOM 96 C LEU A 9 -2.820 -4.133 2.634 1.00 0.00 C ATOM 97 O LEU A 9 -1.894 -3.449 2.202 1.00 0.00 O ATOM 98 CB LEU A 9 -2.179 -6.326 1.631 1.00 0.00 C ATOM 99 CG LEU A 9 -2.128 -7.414 2.717 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.727 -7.987 2.678 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.355 -6.982 4.166 1.00 0.00 C ATOM 0 H LEU A 9 -3.241 -4.429 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.109 -5.884 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.283 -6.797 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.236 -5.779 1.623 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.950 -8.090 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.632 -8.768 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.534 -8.409 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.005 -7.196 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.291 -7.852 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.594 -6.256 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.342 -6.530 4.260 1.00 0.00 H new ATOM 103 N VAL A 10 -3.534 -3.850 3.715 1.00 0.00 N ATOM 104 CA VAL A 10 -3.185 -2.735 4.615 1.00 0.00 C ATOM 105 C VAL A 10 -2.073 -3.234 5.543 1.00 0.00 C ATOM 106 O VAL A 10 -2.281 -4.116 6.371 1.00 0.00 O ATOM 107 CB VAL A 10 -4.408 -2.120 5.295 1.00 0.00 C ATOM 108 CG1 VAL A 10 -5.109 -2.916 6.382 1.00 0.00 C ATOM 109 CG2 VAL A 10 -3.949 -0.771 5.858 1.00 0.00 C ATOM 0 H VAL A 10 -4.362 -4.373 3.999 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.794 -1.881 4.062 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.178 -2.065 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.955 -2.344 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.465 -3.860 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.410 -3.116 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.785 -0.282 6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.142 -0.931 6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.593 -0.139 5.044 1.00 0.00 H new ATOM 111 N VAL A 11 -0.865 -2.819 5.191 1.00 0.00 N ATOM 112 CA VAL A 11 0.341 -3.183 5.954 1.00 0.00 C ATOM 113 C VAL A 11 0.655 -1.961 6.826 1.00 0.00 C ATOM 114 O VAL A 11 1.433 -1.068 6.492 1.00 0.00 O ATOM 115 CB VAL A 11 1.513 -3.598 5.063 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.544 -4.318 5.927 1.00 0.00 C ATOM 117 CG2 VAL A 11 1.096 -4.543 3.928 1.00 0.00 C ATOM 0 H VAL A 11 -0.684 -2.227 4.380 1.00 0.00 H new ATOM 0 HA VAL A 11 0.167 -4.069 6.564 1.00 0.00 H new ATOM 0 HB VAL A 11 1.915 -2.692 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.388 -4.622 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.892 -3.647 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.089 -5.200 6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.970 -4.802 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.663 -5.450 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.358 -4.049 3.296 1.00 0.00 H new ATOM 119 N ASP A 12 -0.037 -2.000 7.957 1.00 0.00 N ATOM 120 CA ASP A 12 -0.019 -0.925 8.958 1.00 0.00 C ATOM 121 C ASP A 12 0.404 -1.408 10.349 1.00 0.00 C ATOM 122 O ASP A 12 -0.317 -2.119 11.047 1.00 0.00 O ATOM 123 CB ASP A 12 -1.423 -0.332 8.933 1.00 0.00 C ATOM 124 CG ASP A 12 -1.548 1.039 9.588 1.00 0.00 C ATOM 125 OD1 ASP A 12 -1.061 1.195 10.733 1.00 0.00 O ATOM 126 OD2 ASP A 12 -2.227 1.877 8.961 1.00 0.00 O ATOM 0 H ASP A 12 -0.635 -2.785 8.214 1.00 0.00 H new ATOM 0 HA ASP A 12 0.732 -0.173 8.718 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.752 -0.256 7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.103 -1.022 9.433 1.00 0.00 H new ATOM 128 N ASP A 13 1.434 -0.709 10.800 1.00 0.00 N ATOM 129 CA ASP A 13 2.098 -0.906 12.109 1.00 0.00 C ATOM 130 C ASP A 13 1.247 -0.592 13.361 1.00 0.00 C ATOM 131 O ASP A 13 1.587 -1.045 14.456 1.00 0.00 O ATOM 132 CB ASP A 13 3.424 -0.139 12.105 1.00 0.00 C ATOM 133 CG ASP A 13 3.271 1.372 11.886 1.00 0.00 C ATOM 134 OD1 ASP A 13 2.918 1.747 10.744 1.00 0.00 O ATOM 135 OD2 ASP A 13 3.387 2.105 12.892 1.00 0.00 O ATOM 0 H ASP A 13 1.857 0.042 10.255 1.00 0.00 H new ATOM 0 HA ASP A 13 2.269 -1.978 12.207 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.933 -0.308 13.054 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.065 -0.546 11.323 1.00 0.00 H new ATOM 137 N PHE A 14 0.177 0.177 13.190 1.00 0.00 N ATOM 138 CA PHE A 14 -0.709 0.543 14.309 1.00 0.00 C ATOM 139 C PHE A 14 -2.062 -0.159 14.171 1.00 0.00 C ATOM 140 O PHE A 14 -2.815 0.106 13.233 1.00 0.00 O ATOM 141 CB PHE A 14 -0.910 2.059 14.366 1.00 0.00 C ATOM 142 CG PHE A 14 -1.258 2.557 15.770 1.00 0.00 C ATOM 143 CD1 PHE A 14 -0.415 2.252 16.870 1.00 0.00 C ATOM 144 CD2 PHE A 14 -2.394 3.381 15.933 1.00 0.00 C ATOM 145 CE1 PHE A 14 -0.724 2.772 18.145 1.00 0.00 C ATOM 146 CE2 PHE A 14 -2.703 3.901 17.208 1.00 0.00 C ATOM 147 CZ PHE A 14 -1.863 3.588 18.304 1.00 0.00 C ATOM 0 H PHE A 14 -0.105 0.563 12.289 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.236 0.219 15.236 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.001 2.555 14.024 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.706 2.342 13.677 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.455 1.627 16.733 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.023 3.612 15.086 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.093 2.547 18.992 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.570 4.530 17.346 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.099 3.982 19.281 1.00 0.00 H new ATOM 149 N SER A 15 -2.432 -0.823 15.260 1.00 0.00 N ATOM 150 CA SER A 15 -3.683 -1.600 15.401 1.00 0.00 C ATOM 151 C SER A 15 -4.944 -0.844 14.915 1.00 0.00 C ATOM 152 O SER A 15 -5.583 -1.262 13.952 1.00 0.00 O ATOM 153 CB SER A 15 -3.860 -2.053 16.858 1.00 0.00 C ATOM 154 OG SER A 15 -3.686 -0.950 17.747 1.00 0.00 O ATOM 0 H SER A 15 -1.859 -0.843 16.103 1.00 0.00 H new ATOM 0 HA SER A 15 -3.582 -2.468 14.749 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.852 -2.484 16.993 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.138 -2.835 17.093 1.00 0.00 H new ATOM 0 HG SER A 15 -3.803 -1.253 18.671 1.00 0.00 H new ATOM 157 N THR A 16 -5.207 0.307 15.528 1.00 0.00 N ATOM 158 CA THR A 16 -6.358 1.161 15.166 1.00 0.00 C ATOM 159 C THR A 16 -6.251 1.776 13.768 1.00 0.00 C ATOM 160 O THR A 16 -7.215 1.665 13.006 1.00 0.00 O ATOM 161 CB THR A 16 -6.605 2.263 16.196 1.00 0.00 C ATOM 162 OG1 THR A 16 -5.378 2.772 16.696 1.00 0.00 O ATOM 163 CG2 THR A 16 -7.515 1.749 17.318 1.00 0.00 C ATOM 0 H THR A 16 -4.638 0.681 16.287 1.00 0.00 H new ATOM 0 HA THR A 16 -7.212 0.484 15.159 1.00 0.00 H new ATOM 0 HB THR A 16 -7.119 3.092 15.709 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.703 2.755 15.986 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.682 2.545 18.044 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.470 1.436 16.897 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.040 0.901 17.812 1.00 0.00 H new ATOM 166 N MET A 17 -5.069 2.262 13.385 1.00 0.00 N ATOM 167 CA MET A 17 -4.873 2.871 12.051 1.00 0.00 C ATOM 168 C MET A 17 -5.173 1.858 10.921 1.00 0.00 C ATOM 169 O MET A 17 -5.869 2.186 9.952 1.00 0.00 O ATOM 170 CB MET A 17 -3.472 3.462 11.867 1.00 0.00 C ATOM 171 CG MET A 17 -3.424 4.351 10.625 1.00 0.00 C ATOM 172 SD MET A 17 -1.737 4.788 10.069 1.00 0.00 S ATOM 173 CE MET A 17 -2.088 4.995 8.338 1.00 0.00 C ATOM 0 H MET A 17 -4.233 2.250 13.969 1.00 0.00 H new ATOM 0 HA MET A 17 -5.585 3.694 11.989 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.197 4.043 12.748 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.741 2.658 11.775 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.941 3.844 9.811 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.975 5.269 10.830 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.348 4.453 7.749 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.082 4.605 8.119 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.050 6.054 8.083 1.00 0.00 H new ATOM 175 N ARG A 18 -4.778 0.612 11.151 1.00 0.00 N ATOM 176 CA ARG A 18 -5.001 -0.527 10.227 1.00 0.00 C ATOM 177 C ARG A 18 -6.502 -0.662 9.892 1.00 0.00 C ATOM 178 O ARG A 18 -6.885 -0.522 8.728 1.00 0.00 O ATOM 179 CB ARG A 18 -4.402 -1.747 10.937 1.00 0.00 C ATOM 180 CG ARG A 18 -4.201 -2.950 10.013 1.00 0.00 C ATOM 181 CD ARG A 18 -3.198 -3.951 10.606 1.00 0.00 C ATOM 182 NE ARG A 18 -3.619 -4.477 11.914 1.00 0.00 N ATOM 183 CZ ARG A 18 -2.837 -4.650 12.980 1.00 0.00 C ATOM 184 NH1 ARG A 18 -1.626 -4.114 13.062 1.00 0.00 N ATOM 185 NH2 ARG A 18 -3.324 -5.205 14.079 1.00 0.00 N ATOM 0 H ARG A 18 -4.281 0.344 12.001 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.520 -0.398 9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.443 -1.469 11.373 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.055 -2.036 11.760 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.157 -3.446 9.846 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.845 -2.609 9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.067 -4.781 9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.227 -3.466 10.710 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.601 -4.733 12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.266 -3.548 12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.055 -4.268 13.893 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.299 -5.501 14.111 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.724 -5.336 14.893 1.00 0.00 H new ATOM 192 N ARG A 19 -7.325 -0.686 10.948 1.00 0.00 N ATOM 193 CA ARG A 19 -8.789 -0.740 10.809 1.00 0.00 C ATOM 194 C ARG A 19 -9.376 0.522 10.149 1.00 0.00 C ATOM 195 O ARG A 19 -10.293 0.407 9.331 1.00 0.00 O ATOM 196 CB ARG A 19 -9.519 -0.992 12.126 1.00 0.00 C ATOM 197 CG ARG A 19 -9.606 -2.489 12.431 1.00 0.00 C ATOM 198 CD ARG A 19 -10.959 -2.832 13.068 1.00 0.00 C ATOM 199 NE ARG A 19 -12.034 -2.877 12.054 1.00 0.00 N ATOM 200 CZ ARG A 19 -13.107 -2.087 11.967 1.00 0.00 C ATOM 201 NH1 ARG A 19 -13.218 -0.956 12.651 1.00 0.00 N ATOM 202 NH2 ARG A 19 -14.006 -2.325 11.025 1.00 0.00 N ATOM 0 H ARG A 19 -7.001 -0.669 11.915 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.957 -1.595 10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.999 -0.482 12.937 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.522 -0.569 12.076 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.475 -3.061 11.513 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.798 -2.776 13.104 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.892 -3.796 13.573 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.204 -2.090 13.828 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.946 -3.596 11.336 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.466 -0.660 13.273 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.056 -0.382 12.555 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.874 -3.103 10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.831 -1.731 10.946 1.00 0.00 H new ATOM 209 N ILE A 20 -8.851 1.696 10.484 1.00 0.00 N ATOM 210 CA ILE A 20 -9.306 2.980 9.896 1.00 0.00 C ATOM 211 C ILE A 20 -9.193 2.911 8.360 1.00 0.00 C ATOM 212 O ILE A 20 -10.209 3.026 7.678 1.00 0.00 O ATOM 213 CB ILE A 20 -8.548 4.179 10.516 1.00 0.00 C ATOM 214 CG1 ILE A 20 -8.751 4.287 12.038 1.00 0.00 C ATOM 215 CG2 ILE A 20 -8.846 5.515 9.815 1.00 0.00 C ATOM 216 CD1 ILE A 20 -10.198 4.370 12.538 1.00 0.00 C ATOM 0 H ILE A 20 -8.100 1.799 11.167 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.356 3.144 10.137 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.493 3.966 10.345 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.279 3.423 12.506 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.219 5.171 12.390 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.283 6.313 10.299 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.554 5.449 8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.912 5.731 9.882 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.204 4.442 13.626 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.680 5.251 12.113 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.741 3.476 12.231 1.00 0.00 H new ATOM 218 N VAL A 21 -8.012 2.515 7.869 1.00 0.00 N ATOM 219 CA VAL A 21 -7.759 2.382 6.409 1.00 0.00 C ATOM 220 C VAL A 21 -8.752 1.375 5.791 1.00 0.00 C ATOM 221 O VAL A 21 -9.364 1.684 4.772 1.00 0.00 O ATOM 222 CB VAL A 21 -6.326 1.936 6.072 1.00 0.00 C ATOM 223 CG1 VAL A 21 -6.045 2.157 4.581 1.00 0.00 C ATOM 224 CG2 VAL A 21 -5.224 2.664 6.852 1.00 0.00 C ATOM 0 H VAL A 21 -7.210 2.279 8.453 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.897 3.377 5.987 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.291 0.884 6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.028 1.839 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.750 1.575 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.156 3.215 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.250 2.282 6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.277 3.733 6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.362 2.495 7.920 1.00 0.00 H new ATOM 226 N ARG A 22 -8.930 0.222 6.454 1.00 0.00 N ATOM 227 CA ARG A 22 -9.880 -0.827 6.039 1.00 0.00 C ATOM 228 C ARG A 22 -11.281 -0.249 5.744 1.00 0.00 C ATOM 229 O ARG A 22 -11.772 -0.320 4.621 1.00 0.00 O ATOM 230 CB ARG A 22 -9.908 -1.894 7.147 1.00 0.00 C ATOM 231 CG ARG A 22 -10.979 -2.969 6.934 1.00 0.00 C ATOM 232 CD ARG A 22 -11.060 -3.936 8.116 1.00 0.00 C ATOM 233 NE ARG A 22 -12.177 -4.852 7.851 1.00 0.00 N ATOM 234 CZ ARG A 22 -12.500 -5.953 8.543 1.00 0.00 C ATOM 235 NH1 ARG A 22 -11.743 -6.444 9.512 1.00 0.00 N ATOM 236 NH2 ARG A 22 -13.575 -6.646 8.190 1.00 0.00 N ATOM 0 H ARG A 22 -8.414 -0.013 7.302 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.555 -1.280 5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.930 -2.373 7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.080 -1.406 8.106 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.948 -2.492 6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.758 -3.526 6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.127 -4.489 8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.220 -3.393 9.047 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.771 -4.625 7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.869 -5.980 9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.034 -7.286 10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.144 -6.339 7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.833 -7.486 8.708 1.00 0.00 H new ATOM 243 N ASN A 23 -11.808 0.475 6.734 1.00 0.00 N ATOM 244 CA ASN A 23 -13.124 1.143 6.653 1.00 0.00 C ATOM 245 C ASN A 23 -13.170 2.221 5.558 1.00 0.00 C ATOM 246 O ASN A 23 -14.142 2.285 4.801 1.00 0.00 O ATOM 247 CB ASN A 23 -13.544 1.679 8.032 1.00 0.00 C ATOM 248 CG ASN A 23 -13.948 0.541 8.990 1.00 0.00 C ATOM 249 OD1 ASN A 23 -15.085 0.098 9.050 1.00 0.00 O ATOM 250 ND2 ASN A 23 -13.019 0.058 9.781 1.00 0.00 N ATOM 0 H ASN A 23 -11.335 0.620 7.626 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.859 0.395 6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.721 2.246 8.468 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.380 2.369 7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.248 -0.684 10.442 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.068 0.425 9.734 1.00 0.00 H new ATOM 254 N LEU A 24 -12.089 2.978 5.395 1.00 0.00 N ATOM 255 CA LEU A 24 -11.960 4.008 4.337 1.00 0.00 C ATOM 256 C LEU A 24 -12.120 3.372 2.938 1.00 0.00 C ATOM 257 O LEU A 24 -12.949 3.797 2.142 1.00 0.00 O ATOM 258 CB LEU A 24 -10.591 4.701 4.406 1.00 0.00 C ATOM 259 CG LEU A 24 -10.413 5.584 5.640 1.00 0.00 C ATOM 260 CD1 LEU A 24 -9.022 6.232 5.638 1.00 0.00 C ATOM 261 CD2 LEU A 24 -11.467 6.685 5.770 1.00 0.00 C ATOM 0 H LEU A 24 -11.265 2.903 5.991 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.747 4.744 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.808 3.942 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.456 5.309 3.512 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.532 4.918 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.911 6.858 6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.258 5.454 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.907 6.845 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.274 7.269 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.422 7.337 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.457 6.235 5.836 1.00 0.00 H new ATOM 263 N LEU A 25 -11.331 2.324 2.705 1.00 0.00 N ATOM 264 CA LEU A 25 -11.358 1.532 1.457 1.00 0.00 C ATOM 265 C LEU A 25 -12.774 1.007 1.166 1.00 0.00 C ATOM 266 O LEU A 25 -13.322 1.267 0.103 1.00 0.00 O ATOM 267 CB LEU A 25 -10.363 0.364 1.518 1.00 0.00 C ATOM 268 CG LEU A 25 -8.950 0.916 1.505 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.912 -0.090 2.005 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.537 1.414 0.113 1.00 0.00 C ATOM 0 H LEU A 25 -10.644 1.990 3.380 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.060 2.194 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.529 -0.225 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.514 -0.304 0.670 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.970 1.759 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.921 0.363 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.147 -0.376 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.928 -0.975 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.518 1.800 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.585 0.589 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.214 2.207 -0.205 1.00 0.00 H new ATOM 272 N LYS A 26 -13.374 0.446 2.220 1.00 0.00 N ATOM 273 CA LYS A 26 -14.760 -0.073 2.215 1.00 0.00 C ATOM 274 C LYS A 26 -15.746 1.022 1.731 1.00 0.00 C ATOM 275 O LYS A 26 -16.438 0.825 0.735 1.00 0.00 O ATOM 276 CB LYS A 26 -15.100 -0.533 3.642 1.00 0.00 C ATOM 277 CG LYS A 26 -16.530 -1.062 3.792 1.00 0.00 C ATOM 278 CD LYS A 26 -16.909 -1.335 5.250 1.00 0.00 C ATOM 279 CE LYS A 26 -17.189 -0.044 6.024 1.00 0.00 C ATOM 280 NZ LYS A 26 -17.555 -0.384 7.415 1.00 0.00 N ATOM 0 H LYS A 26 -12.908 0.334 3.121 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.848 -0.914 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.400 -1.314 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.957 0.302 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.227 -0.338 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.635 -1.981 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -17.791 -1.974 5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.102 -1.882 5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.309 0.599 6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.996 0.512 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.340 0.223 7.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.848 -1.381 7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.735 -0.234 8.036 1.00 0.00 H new ATOM 285 N GLU A 27 -15.629 2.198 2.338 1.00 0.00 N ATOM 286 CA GLU A 27 -16.429 3.405 2.038 1.00 0.00 C ATOM 287 C GLU A 27 -16.284 3.853 0.568 1.00 0.00 C ATOM 288 O GLU A 27 -17.257 4.281 -0.045 1.00 0.00 O ATOM 289 CB GLU A 27 -15.939 4.488 2.994 1.00 0.00 C ATOM 290 CG GLU A 27 -16.524 4.328 4.396 1.00 0.00 C ATOM 291 CD GLU A 27 -15.881 5.307 5.379 1.00 0.00 C ATOM 292 OE1 GLU A 27 -16.412 6.434 5.486 1.00 0.00 O ATOM 293 OE2 GLU A 27 -14.871 4.915 6.009 1.00 0.00 O ATOM 0 H GLU A 27 -14.951 2.354 3.084 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.491 3.201 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.851 4.455 3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.208 5.468 2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.601 4.495 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.370 3.306 4.743 1.00 0.00 H new ATOM 295 N LEU A 28 -15.066 3.773 0.044 1.00 0.00 N ATOM 296 CA LEU A 28 -14.732 4.108 -1.359 1.00 0.00 C ATOM 297 C LEU A 28 -15.257 3.066 -2.374 1.00 0.00 C ATOM 298 O LEU A 28 -15.122 3.247 -3.589 1.00 0.00 O ATOM 299 CB LEU A 28 -13.205 4.183 -1.514 1.00 0.00 C ATOM 300 CG LEU A 28 -12.521 5.284 -0.701 1.00 0.00 C ATOM 301 CD1 LEU A 28 -11.006 5.063 -0.714 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.878 6.678 -1.204 1.00 0.00 C ATOM 0 H LEU A 28 -14.257 3.468 0.585 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.213 5.063 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.779 3.222 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.970 4.332 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.885 5.224 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.519 5.847 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.776 4.092 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.643 5.092 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.369 7.426 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.565 6.781 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.956 6.825 -1.133 1.00 0.00 H new ATOM 304 N GLY A 29 -15.729 1.938 -1.856 1.00 0.00 N ATOM 305 CA GLY A 29 -16.264 0.801 -2.634 1.00 0.00 C ATOM 306 C GLY A 29 -15.387 -0.470 -2.559 1.00 0.00 C ATOM 307 O GLY A 29 -15.908 -1.580 -2.636 1.00 0.00 O ATOM 0 H GLY A 29 -15.755 1.773 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.264 0.563 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.365 1.101 -3.677 1.00 0.00 H new ATOM 309 N PHE A 30 -14.147 -0.288 -2.117 1.00 0.00 N ATOM 310 CA PHE A 30 -13.149 -1.372 -2.039 1.00 0.00 C ATOM 311 C PHE A 30 -13.206 -2.147 -0.713 1.00 0.00 C ATOM 312 O PHE A 30 -12.326 -2.085 0.146 1.00 0.00 O ATOM 313 CB PHE A 30 -11.725 -0.837 -2.275 1.00 0.00 C ATOM 314 CG PHE A 30 -11.555 0.274 -3.315 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.679 -0.011 -4.696 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.131 1.540 -2.870 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.361 0.990 -5.643 1.00 0.00 C ATOM 318 CE2 PHE A 30 -10.800 2.535 -3.814 1.00 0.00 C ATOM 319 CZ PHE A 30 -10.921 2.258 -5.192 1.00 0.00 C ATOM 0 H PHE A 30 -13.795 0.615 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.405 -2.072 -2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.341 -0.470 -1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.095 -1.675 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.013 -0.984 -5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.059 1.749 -1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.453 0.789 -6.700 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.456 3.504 -3.483 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.675 3.024 -5.913 1.00 0.00 H new ATOM 321 N ASN A 31 -14.265 -2.945 -0.605 1.00 0.00 N ATOM 322 CA ASN A 31 -14.521 -3.837 0.556 1.00 0.00 C ATOM 323 C ASN A 31 -13.534 -5.024 0.664 1.00 0.00 C ATOM 324 O ASN A 31 -13.429 -5.670 1.711 1.00 0.00 O ATOM 325 CB ASN A 31 -15.958 -4.361 0.455 1.00 0.00 C ATOM 326 CG ASN A 31 -16.973 -3.423 1.126 1.00 0.00 C ATOM 327 OD1 ASN A 31 -17.459 -3.681 2.212 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.374 -2.358 0.463 1.00 0.00 N ATOM 0 H ASN A 31 -14.987 -3.002 -1.323 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.373 -3.246 1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.223 -4.487 -0.595 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.016 -5.346 0.919 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.091 -1.750 0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.968 -2.141 -0.447 1.00 0.00 H new ATOM 332 N ASN A 32 -12.723 -5.178 -0.373 1.00 0.00 N ATOM 333 CA ASN A 32 -11.716 -6.252 -0.524 1.00 0.00 C ATOM 334 C ASN A 32 -10.337 -5.774 -0.027 1.00 0.00 C ATOM 335 O ASN A 32 -9.537 -5.200 -0.771 1.00 0.00 O ATOM 336 CB ASN A 32 -11.684 -6.742 -1.991 1.00 0.00 C ATOM 337 CG ASN A 32 -12.470 -5.888 -2.990 1.00 0.00 C ATOM 338 OD1 ASN A 32 -13.446 -6.304 -3.589 1.00 0.00 O ATOM 339 ND2 ASN A 32 -12.084 -4.637 -3.156 1.00 0.00 N ATOM 0 H ASN A 32 -12.738 -4.541 -1.170 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.994 -7.104 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.645 -6.788 -2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -12.074 -7.759 -2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.602 -4.022 -3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.267 -4.285 -2.656 1.00 0.00 H new ATOM 343 N VAL A 33 -10.181 -5.898 1.283 1.00 0.00 N ATOM 344 CA VAL A 33 -8.961 -5.499 2.022 1.00 0.00 C ATOM 345 C VAL A 33 -8.572 -6.509 3.123 1.00 0.00 C ATOM 346 O VAL A 33 -9.429 -7.077 3.797 1.00 0.00 O ATOM 347 CB VAL A 33 -9.149 -4.069 2.553 1.00 0.00 C ATOM 348 CG1 VAL A 33 -10.382 -3.891 3.451 1.00 0.00 C ATOM 349 CG2 VAL A 33 -7.897 -3.523 3.253 1.00 0.00 C ATOM 0 H VAL A 33 -10.906 -6.285 1.887 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.113 -5.507 1.338 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.324 -3.476 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.443 -2.855 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.281 -4.145 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.298 -4.546 4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.090 -2.510 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.646 -4.161 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.064 -3.509 2.550 1.00 0.00 H new ATOM 351 N GLU A 34 -7.273 -6.776 3.207 1.00 0.00 N ATOM 352 CA GLU A 34 -6.654 -7.647 4.226 1.00 0.00 C ATOM 353 C GLU A 34 -5.798 -6.785 5.164 1.00 0.00 C ATOM 354 O GLU A 34 -5.313 -5.733 4.748 1.00 0.00 O ATOM 355 CB GLU A 34 -5.826 -8.729 3.540 1.00 0.00 C ATOM 356 CG GLU A 34 -6.422 -10.125 3.784 1.00 0.00 C ATOM 357 CD GLU A 34 -6.013 -10.682 5.145 1.00 0.00 C ATOM 358 OE1 GLU A 34 -6.608 -10.232 6.150 1.00 0.00 O ATOM 359 OE2 GLU A 34 -5.075 -11.499 5.173 1.00 0.00 O ATOM 0 H GLU A 34 -6.594 -6.386 2.554 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.420 -8.144 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.782 -8.532 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.802 -8.698 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.509 -10.072 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.092 -10.804 2.998 1.00 0.00 H new ATOM 361 N GLU A 35 -5.513 -7.290 6.364 1.00 0.00 N ATOM 362 CA GLU A 35 -4.781 -6.477 7.355 1.00 0.00 C ATOM 363 C GLU A 35 -3.507 -7.089 7.973 1.00 0.00 C ATOM 364 O GLU A 35 -3.569 -7.963 8.842 1.00 0.00 O ATOM 365 CB GLU A 35 -5.722 -6.099 8.516 1.00 0.00 C ATOM 366 CG GLU A 35 -7.021 -5.391 8.087 1.00 0.00 C ATOM 367 CD GLU A 35 -7.800 -4.877 9.299 1.00 0.00 C ATOM 368 OE1 GLU A 35 -8.601 -5.661 9.844 1.00 0.00 O ATOM 369 OE2 GLU A 35 -7.555 -3.705 9.664 1.00 0.00 O ATOM 0 H GLU A 35 -5.765 -8.228 6.675 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.440 -5.624 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.982 -7.004 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.182 -5.451 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.782 -4.558 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.643 -6.082 7.518 1.00 0.00 H new ATOM 371 N ALA A 36 -2.360 -6.543 7.585 1.00 0.00 N ATOM 372 CA ALA A 36 -1.018 -6.938 8.083 1.00 0.00 C ATOM 373 C ALA A 36 -0.391 -5.791 8.893 1.00 0.00 C ATOM 374 O ALA A 36 -0.676 -4.618 8.655 1.00 0.00 O ATOM 375 CB ALA A 36 -0.096 -7.277 6.906 1.00 0.00 C ATOM 0 H ALA A 36 -2.321 -5.791 6.897 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.135 -7.814 8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.885 -7.565 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.522 -8.103 6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.006 -6.405 6.260 1.00 0.00 H new ATOM 377 N GLU A 37 0.571 -6.122 9.756 1.00 0.00 N ATOM 378 CA GLU A 37 1.229 -5.101 10.610 1.00 0.00 C ATOM 379 C GLU A 37 2.621 -4.615 10.183 1.00 0.00 C ATOM 380 O GLU A 37 2.906 -3.424 10.200 1.00 0.00 O ATOM 381 CB GLU A 37 1.222 -5.534 12.088 1.00 0.00 C ATOM 382 CG GLU A 37 1.798 -6.923 12.356 1.00 0.00 C ATOM 383 CD GLU A 37 1.773 -7.252 13.850 1.00 0.00 C ATOM 384 OE1 GLU A 37 0.758 -7.830 14.299 1.00 0.00 O ATOM 385 OE2 GLU A 37 2.799 -6.949 14.503 1.00 0.00 O ATOM 0 H GLU A 37 0.916 -7.072 9.890 1.00 0.00 H new ATOM 0 HA GLU A 37 0.607 -4.218 10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.788 -4.804 12.667 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.196 -5.506 12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.225 -7.670 11.807 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.822 -6.972 11.987 1.00 0.00 H new ATOM 387 N ASP A 38 3.446 -5.532 9.695 1.00 0.00 N ATOM 388 CA ASP A 38 4.828 -5.217 9.291 1.00 0.00 C ATOM 389 C ASP A 38 5.183 -5.947 7.980 1.00 0.00 C ATOM 390 O ASP A 38 4.526 -6.939 7.660 1.00 0.00 O ATOM 391 CB ASP A 38 5.814 -5.603 10.400 1.00 0.00 C ATOM 392 CG ASP A 38 5.726 -7.080 10.813 1.00 0.00 C ATOM 393 OD1 ASP A 38 6.202 -7.921 10.016 1.00 0.00 O ATOM 394 OD2 ASP A 38 5.066 -7.348 11.833 1.00 0.00 O ATOM 0 H ASP A 38 3.188 -6.510 9.565 1.00 0.00 H new ATOM 0 HA ASP A 38 4.902 -4.143 9.123 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.828 -5.388 10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.628 -4.978 11.274 1.00 0.00 H new ATOM 396 N GLY A 39 6.328 -5.593 7.407 1.00 0.00 N ATOM 397 CA GLY A 39 6.852 -6.169 6.155 1.00 0.00 C ATOM 398 C GLY A 39 6.818 -7.699 6.066 1.00 0.00 C ATOM 399 O GLY A 39 6.220 -8.257 5.144 1.00 0.00 O ATOM 0 H GLY A 39 6.940 -4.880 7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.280 -5.761 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.883 -5.838 6.027 1.00 0.00 H new ATOM 401 N VAL A 40 7.365 -8.366 7.080 1.00 0.00 N ATOM 402 CA VAL A 40 7.388 -9.848 7.166 1.00 0.00 C ATOM 403 C VAL A 40 5.954 -10.420 7.112 1.00 0.00 C ATOM 404 O VAL A 40 5.612 -11.116 6.159 1.00 0.00 O ATOM 405 CB VAL A 40 8.155 -10.304 8.425 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.131 -11.830 8.590 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.614 -9.849 8.383 1.00 0.00 C ATOM 0 H VAL A 40 7.809 -7.905 7.874 1.00 0.00 H new ATOM 0 HA VAL A 40 7.922 -10.245 6.302 1.00 0.00 H new ATOM 0 HB VAL A 40 7.647 -9.843 9.272 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.682 -12.108 9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.099 -12.170 8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.594 -12.297 7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.126 -10.186 9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.103 -10.275 7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.654 -8.761 8.328 1.00 0.00 H new ATOM 409 N ASP A 41 5.094 -9.929 8.018 1.00 0.00 N ATOM 410 CA ASP A 41 3.683 -10.345 8.112 1.00 0.00 C ATOM 411 C ASP A 41 2.930 -10.109 6.788 1.00 0.00 C ATOM 412 O ASP A 41 2.035 -10.876 6.426 1.00 0.00 O ATOM 413 CB ASP A 41 3.057 -9.573 9.275 1.00 0.00 C ATOM 414 CG ASP A 41 1.607 -9.939 9.616 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.278 -11.140 9.606 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.888 -8.967 9.930 1.00 0.00 O ATOM 0 H ASP A 41 5.358 -9.228 8.711 1.00 0.00 H new ATOM 0 HA ASP A 41 3.615 -11.417 8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.670 -9.731 10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.098 -8.509 9.044 1.00 0.00 H new ATOM 418 N ALA A 42 3.315 -9.049 6.086 1.00 0.00 N ATOM 419 CA ALA A 42 2.757 -8.669 4.772 1.00 0.00 C ATOM 420 C ALA A 42 3.063 -9.734 3.719 1.00 0.00 C ATOM 421 O ALA A 42 2.109 -10.262 3.165 1.00 0.00 O ATOM 422 CB ALA A 42 3.346 -7.321 4.337 1.00 0.00 C ATOM 0 H ALA A 42 4.039 -8.409 6.413 1.00 0.00 H new ATOM 0 HA ALA A 42 1.674 -8.584 4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.935 -7.040 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.092 -6.558 5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.430 -7.405 4.261 1.00 0.00 H new ATOM 424 N LEU A 43 4.320 -10.153 3.587 1.00 0.00 N ATOM 425 CA LEU A 43 4.709 -11.210 2.625 1.00 0.00 C ATOM 426 C LEU A 43 3.923 -12.504 2.877 1.00 0.00 C ATOM 427 O LEU A 43 3.213 -12.967 1.993 1.00 0.00 O ATOM 428 CB LEU A 43 6.216 -11.529 2.630 1.00 0.00 C ATOM 429 CG LEU A 43 7.081 -10.442 1.985 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.550 -10.873 2.111 1.00 0.00 C ATOM 431 CD2 LEU A 43 6.771 -10.214 0.500 1.00 0.00 C ATOM 0 H LEU A 43 5.098 -9.781 4.132 1.00 0.00 H new ATOM 0 HA LEU A 43 4.464 -10.805 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.543 -11.677 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.380 -12.470 2.105 1.00 0.00 H new ATOM 0 HG LEU A 43 6.870 -9.506 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.191 -10.116 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.807 -10.985 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.695 -11.824 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.421 -9.431 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.942 -11.137 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.730 -9.911 0.388 1.00 0.00 H new ATOM 433 N ASN A 44 3.857 -12.873 4.165 1.00 0.00 N ATOM 434 CA ASN A 44 3.111 -14.047 4.652 1.00 0.00 C ATOM 435 C ASN A 44 1.654 -14.001 4.144 1.00 0.00 C ATOM 436 O ASN A 44 1.203 -14.906 3.450 1.00 0.00 O ATOM 437 CB ASN A 44 3.136 -14.053 6.189 1.00 0.00 C ATOM 438 CG ASN A 44 4.543 -14.250 6.784 1.00 0.00 C ATOM 439 OD1 ASN A 44 4.953 -13.568 7.714 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.340 -15.118 6.211 1.00 0.00 N ATOM 0 H ASN A 44 4.327 -12.358 4.910 1.00 0.00 H new ATOM 0 HA ASN A 44 3.577 -14.957 4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.725 -13.112 6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.483 -14.847 6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.300 -15.224 6.540 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.001 -15.688 5.436 1.00 0.00 H new ATOM 444 N LYS A 45 1.000 -12.877 4.430 1.00 0.00 N ATOM 445 CA LYS A 45 -0.386 -12.597 3.988 1.00 0.00 C ATOM 446 C LYS A 45 -0.545 -12.520 2.457 1.00 0.00 C ATOM 447 O LYS A 45 -1.436 -13.152 1.903 1.00 0.00 O ATOM 448 CB LYS A 45 -0.887 -11.323 4.679 1.00 0.00 C ATOM 449 CG LYS A 45 -1.523 -11.750 5.995 1.00 0.00 C ATOM 450 CD LYS A 45 -2.127 -10.587 6.779 1.00 0.00 C ATOM 451 CE LYS A 45 -2.829 -11.158 8.009 1.00 0.00 C ATOM 452 NZ LYS A 45 -2.335 -10.487 9.219 1.00 0.00 N ATOM 0 H LYS A 45 1.411 -12.122 4.979 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.005 -13.443 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.064 -10.631 4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.611 -10.803 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.301 -12.486 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.771 -12.243 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.349 -9.884 7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.834 -10.036 6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.907 -11.021 7.920 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.648 -12.231 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.656 -11.007 10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.295 -10.463 9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.703 -9.515 9.252 1.00 0.00 H new ATOM 457 N LEU A 46 0.414 -11.858 1.801 1.00 0.00 N ATOM 458 CA LEU A 46 0.480 -11.709 0.335 1.00 0.00 C ATOM 459 C LEU A 46 0.490 -13.054 -0.409 1.00 0.00 C ATOM 460 O LEU A 46 -0.189 -13.211 -1.426 1.00 0.00 O ATOM 461 CB LEU A 46 1.702 -10.893 -0.114 1.00 0.00 C ATOM 462 CG LEU A 46 1.481 -9.388 0.082 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.805 -8.630 0.074 1.00 0.00 C ATOM 464 CD2 LEU A 46 0.522 -8.818 -0.969 1.00 0.00 C ATOM 0 H LEU A 46 1.187 -11.398 2.282 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.432 -11.173 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.579 -11.209 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.910 -11.097 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 46 1.020 -9.254 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.616 -7.566 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.439 -8.996 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.308 -8.786 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.389 -7.750 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.936 -8.978 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.442 -9.320 -0.892 1.00 0.00 H new ATOM 466 N GLN A 47 1.154 -14.038 0.193 1.00 0.00 N ATOM 467 CA GLN A 47 1.265 -15.426 -0.316 1.00 0.00 C ATOM 468 C GLN A 47 -0.074 -16.115 -0.617 1.00 0.00 C ATOM 469 O GLN A 47 -0.130 -17.006 -1.456 1.00 0.00 O ATOM 470 CB GLN A 47 2.106 -16.279 0.637 1.00 0.00 C ATOM 471 CG GLN A 47 3.559 -16.436 0.190 1.00 0.00 C ATOM 472 CD GLN A 47 4.408 -15.152 0.259 1.00 0.00 C ATOM 473 OE1 GLN A 47 5.092 -14.874 1.234 1.00 0.00 O ATOM 474 NE2 GLN A 47 4.464 -14.420 -0.826 1.00 0.00 N ATOM 0 H GLN A 47 1.648 -13.900 1.075 1.00 0.00 H new ATOM 0 HA GLN A 47 1.763 -15.339 -1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.086 -15.829 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.652 -17.266 0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.032 -17.199 0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.569 -16.805 -0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.889 -14.661 -1.634 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.082 -13.610 -0.863 1.00 0.00 H new ATOM 478 N ALA A 48 -1.146 -15.661 0.038 1.00 0.00 N ATOM 479 CA ALA A 48 -2.524 -16.175 -0.158 1.00 0.00 C ATOM 480 C ALA A 48 -3.067 -15.923 -1.583 1.00 0.00 C ATOM 481 O ALA A 48 -3.983 -16.623 -2.021 1.00 0.00 O ATOM 482 CB ALA A 48 -3.453 -15.547 0.883 1.00 0.00 C ATOM 0 H ALA A 48 -1.091 -14.915 0.732 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.489 -17.257 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.466 -15.923 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.107 -15.806 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.449 -14.463 0.767 1.00 0.00 H new ATOM 484 N GLY A 49 -2.510 -14.920 -2.251 1.00 0.00 N ATOM 485 CA GLY A 49 -2.876 -14.515 -3.621 1.00 0.00 C ATOM 486 C GLY A 49 -4.066 -13.540 -3.687 1.00 0.00 C ATOM 487 O GLY A 49 -4.474 -12.949 -2.684 1.00 0.00 O ATOM 0 H GLY A 49 -1.769 -14.344 -1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.012 -14.050 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.117 -15.406 -4.201 1.00 0.00 H new ATOM 489 N GLY A 50 -4.386 -13.178 -4.925 1.00 0.00 N ATOM 490 CA GLY A 50 -5.502 -12.256 -5.260 1.00 0.00 C ATOM 491 C GLY A 50 -5.243 -10.754 -5.041 1.00 0.00 C ATOM 492 O GLY A 50 -6.002 -9.930 -5.549 1.00 0.00 O ATOM 0 H GLY A 50 -3.880 -13.513 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.767 -12.407 -6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.371 -12.542 -4.667 1.00 0.00 H new ATOM 494 N TYR A 51 -4.195 -10.406 -4.303 1.00 0.00 N ATOM 495 CA TYR A 51 -3.854 -8.998 -4.021 1.00 0.00 C ATOM 496 C TYR A 51 -3.385 -8.228 -5.244 1.00 0.00 C ATOM 497 O TYR A 51 -2.449 -8.618 -5.950 1.00 0.00 O ATOM 498 CB TYR A 51 -2.802 -8.869 -2.921 1.00 0.00 C ATOM 499 CG TYR A 51 -3.241 -9.546 -1.624 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.140 -8.893 -0.760 1.00 0.00 C ATOM 501 CD2 TYR A 51 -2.713 -10.827 -1.348 1.00 0.00 C ATOM 502 CE1 TYR A 51 -4.513 -9.546 0.433 1.00 0.00 C ATOM 503 CE2 TYR A 51 -3.095 -11.466 -0.153 1.00 0.00 C ATOM 504 CZ TYR A 51 -3.971 -10.807 0.728 1.00 0.00 C ATOM 505 OH TYR A 51 -4.154 -11.352 1.964 1.00 0.00 O ATOM 0 H TYR A 51 -3.556 -11.080 -3.881 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.791 -8.555 -3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.866 -9.311 -3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.605 -7.814 -2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.534 -7.917 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.033 -11.305 -2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.210 -9.080 1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.720 -12.451 0.084 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.392 -11.927 2.184 1.00 0.00 H new ATOM 508 N GLY A 52 -4.139 -7.165 -5.495 1.00 0.00 N ATOM 509 CA GLY A 52 -3.883 -6.212 -6.588 1.00 0.00 C ATOM 510 C GLY A 52 -3.324 -4.880 -6.069 1.00 0.00 C ATOM 511 O GLY A 52 -3.374 -3.898 -6.809 1.00 0.00 O ATOM 0 H GLY A 52 -4.962 -6.930 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.178 -6.651 -7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.809 -6.029 -7.134 1.00 0.00 H new ATOM 513 N PHE A 53 -2.953 -4.830 -4.779 1.00 0.00 N ATOM 514 CA PHE A 53 -2.402 -3.627 -4.129 1.00 0.00 C ATOM 515 C PHE A 53 -1.804 -3.887 -2.730 1.00 0.00 C ATOM 516 O PHE A 53 -2.347 -4.635 -1.920 1.00 0.00 O ATOM 517 CB PHE A 53 -3.508 -2.600 -3.924 1.00 0.00 C ATOM 518 CG PHE A 53 -3.074 -1.170 -4.238 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.255 -0.470 -3.322 1.00 0.00 C ATOM 520 CD2 PHE A 53 -3.545 -0.567 -5.423 1.00 0.00 C ATOM 521 CE1 PHE A 53 -1.898 0.863 -3.616 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.188 0.770 -5.700 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.366 1.474 -4.797 1.00 0.00 C ATOM 0 H PHE A 53 -3.027 -5.630 -4.151 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.611 -3.283 -4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.357 -2.861 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.852 -2.649 -2.891 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.910 -0.946 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.170 -1.120 -6.108 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.266 1.415 -2.936 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.543 1.251 -6.599 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.091 2.496 -5.013 1.00 0.00 H new ATOM 525 N VAL A 54 -0.742 -3.128 -2.459 1.00 0.00 N ATOM 526 CA VAL A 54 -0.037 -3.148 -1.161 1.00 0.00 C ATOM 527 C VAL A 54 0.084 -1.686 -0.670 1.00 0.00 C ATOM 528 O VAL A 54 0.759 -0.853 -1.269 1.00 0.00 O ATOM 529 CB VAL A 54 1.348 -3.804 -1.234 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.966 -3.931 0.163 1.00 0.00 C ATOM 531 CG2 VAL A 54 1.289 -5.200 -1.839 1.00 0.00 C ATOM 0 H VAL A 54 -0.339 -2.476 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.614 -3.756 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 54 1.956 -3.158 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.947 -4.399 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.070 -2.941 0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.321 -4.544 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.292 -5.625 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.645 -5.834 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.888 -5.141 -2.851 1.00 0.00 H new ATOM 533 N ILE A 55 -0.652 -1.409 0.393 1.00 0.00 N ATOM 534 CA ILE A 55 -0.678 -0.092 1.061 1.00 0.00 C ATOM 535 C ILE A 55 0.081 -0.262 2.386 1.00 0.00 C ATOM 536 O ILE A 55 -0.419 -0.816 3.371 1.00 0.00 O ATOM 537 CB ILE A 55 -2.111 0.474 1.142 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.149 1.811 1.898 1.00 0.00 C ATOM 539 CG2 ILE A 55 -3.116 -0.505 1.742 1.00 0.00 C ATOM 540 CD1 ILE A 55 -3.496 2.559 1.946 1.00 0.00 C ATOM 0 H ILE A 55 -1.264 -2.096 0.834 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.167 0.686 0.494 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.415 0.645 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.828 1.628 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.411 2.474 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.103 -0.043 1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.155 -1.407 1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.810 -0.766 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.378 3.484 2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.820 2.791 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.244 1.931 2.431 1.00 0.00 H new ATOM 542 N SER A 56 1.348 0.117 2.312 1.00 0.00 N ATOM 543 CA SER A 56 2.325 -0.043 3.419 1.00 0.00 C ATOM 544 C SER A 56 2.967 1.207 4.021 1.00 0.00 C ATOM 545 O SER A 56 3.459 2.087 3.320 1.00 0.00 O ATOM 546 CB SER A 56 3.408 -1.020 2.952 1.00 0.00 C ATOM 547 OG SER A 56 4.467 -1.138 3.904 1.00 0.00 O ATOM 0 H SER A 56 1.747 0.551 1.480 1.00 0.00 H new ATOM 0 HA SER A 56 1.728 -0.409 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.963 -2.000 2.781 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.814 -0.683 1.998 1.00 0.00 H new ATOM 0 HG SER A 56 4.115 -0.987 4.806 1.00 0.00 H new ATOM 550 N ASP A 57 2.992 1.216 5.352 1.00 0.00 N ATOM 551 CA ASP A 57 3.601 2.297 6.142 1.00 0.00 C ATOM 552 C ASP A 57 5.133 2.292 6.078 1.00 0.00 C ATOM 553 O ASP A 57 5.770 1.263 6.328 1.00 0.00 O ATOM 554 CB ASP A 57 3.150 2.267 7.609 1.00 0.00 C ATOM 555 CG ASP A 57 1.726 2.798 7.782 1.00 0.00 C ATOM 556 OD1 ASP A 57 1.566 4.032 7.714 1.00 0.00 O ATOM 557 OD2 ASP A 57 0.832 1.955 8.004 1.00 0.00 O ATOM 0 H ASP A 57 2.589 0.471 5.921 1.00 0.00 H new ATOM 0 HA ASP A 57 3.246 3.220 5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.204 1.245 7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.835 2.864 8.211 1.00 0.00 H new ATOM 559 N TRP A 58 5.704 3.469 5.874 1.00 0.00 N ATOM 560 CA TRP A 58 7.168 3.669 5.775 1.00 0.00 C ATOM 561 C TRP A 58 7.899 3.127 7.023 1.00 0.00 C ATOM 562 O TRP A 58 8.785 2.284 6.900 1.00 0.00 O ATOM 563 CB TRP A 58 7.505 5.150 5.581 1.00 0.00 C ATOM 564 CG TRP A 58 8.893 5.381 4.954 1.00 0.00 C ATOM 565 CD1 TRP A 58 10.058 5.429 5.592 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.170 5.481 3.599 1.00 0.00 C ATOM 567 NE1 TRP A 58 11.062 5.536 4.715 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.567 5.576 3.481 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.347 5.463 2.453 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.179 5.630 2.206 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.964 5.498 1.189 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.367 5.570 1.065 1.00 0.00 C ATOM 0 H TRP A 58 5.170 4.332 5.769 1.00 0.00 H new ATOM 0 HA TRP A 58 7.511 3.109 4.905 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.746 5.608 4.946 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.461 5.655 6.546 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.177 5.388 6.665 1.00 0.00 H new ATOM 0 HE1 TRP A 58 12.052 5.580 4.955 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.272 5.423 2.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.252 5.716 2.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.353 5.469 0.299 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.819 5.579 0.084 1.00 0.00 H new ATOM 575 N ASN A 59 7.388 3.507 8.185 1.00 0.00 N ATOM 576 CA ASN A 59 7.934 3.079 9.486 1.00 0.00 C ATOM 577 C ASN A 59 7.161 1.870 10.046 1.00 0.00 C ATOM 578 O ASN A 59 6.031 1.988 10.517 1.00 0.00 O ATOM 579 CB ASN A 59 7.914 4.256 10.473 1.00 0.00 C ATOM 580 CG ASN A 59 8.691 5.464 9.937 1.00 0.00 C ATOM 581 OD1 ASN A 59 8.157 6.336 9.273 1.00 0.00 O ATOM 582 ND2 ASN A 59 9.982 5.499 10.180 1.00 0.00 N ATOM 0 H ASN A 59 6.579 4.124 8.263 1.00 0.00 H new ATOM 0 HA ASN A 59 8.967 2.762 9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.882 4.547 10.671 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.344 3.940 11.423 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.550 6.262 9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.416 4.763 10.737 1.00 0.00 H new ATOM 586 N MET A 60 7.749 0.701 9.809 1.00 0.00 N ATOM 587 CA MET A 60 7.203 -0.593 10.269 1.00 0.00 C ATOM 588 C MET A 60 8.276 -1.451 10.973 1.00 0.00 C ATOM 589 O MET A 60 9.403 -1.492 10.489 1.00 0.00 O ATOM 590 CB MET A 60 6.604 -1.381 9.094 1.00 0.00 C ATOM 591 CG MET A 60 5.286 -0.795 8.593 1.00 0.00 C ATOM 592 SD MET A 60 4.405 -1.845 7.378 1.00 0.00 S ATOM 593 CE MET A 60 5.712 -2.388 6.305 1.00 0.00 C ATOM 0 H MET A 60 8.623 0.613 9.290 1.00 0.00 H new ATOM 0 HA MET A 60 6.418 -0.368 10.991 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.322 -1.401 8.274 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.442 -2.414 9.401 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.631 -0.621 9.447 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.483 0.177 8.140 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.287 -2.928 5.459 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.268 -1.523 5.942 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.384 -3.047 6.855 1.00 0.00 H new ATOM 595 N PRO A 61 7.918 -2.116 12.081 1.00 0.00 N ATOM 596 CA PRO A 61 8.844 -2.989 12.835 1.00 0.00 C ATOM 597 C PRO A 61 9.390 -4.121 11.957 1.00 0.00 C ATOM 598 O PRO A 61 8.687 -4.617 11.087 1.00 0.00 O ATOM 599 CB PRO A 61 8.033 -3.521 14.020 1.00 0.00 C ATOM 600 CG PRO A 61 6.575 -3.387 13.574 1.00 0.00 C ATOM 601 CD PRO A 61 6.582 -2.119 12.726 1.00 0.00 C ATOM 0 HA PRO A 61 9.724 -2.443 13.175 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.287 -4.557 14.242 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.226 -2.945 14.925 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.249 -4.254 12.999 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.901 -3.298 14.426 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.783 -2.132 11.985 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.434 -1.230 13.339 1.00 0.00 H new ATOM 602 N ASN A 62 10.658 -4.453 12.204 1.00 0.00 N ATOM 603 CA ASN A 62 11.476 -5.462 11.494 1.00 0.00 C ATOM 604 C ASN A 62 11.763 -5.121 10.015 1.00 0.00 C ATOM 605 O ASN A 62 12.877 -4.716 9.684 1.00 0.00 O ATOM 606 CB ASN A 62 11.081 -6.938 11.725 1.00 0.00 C ATOM 607 CG ASN A 62 9.680 -7.430 11.327 1.00 0.00 C ATOM 608 OD1 ASN A 62 9.097 -7.154 10.281 1.00 0.00 O ATOM 609 ND2 ASN A 62 9.183 -8.361 12.117 1.00 0.00 N ATOM 0 H ASN A 62 11.183 -4.000 12.952 1.00 0.00 H new ATOM 0 HA ASN A 62 12.437 -5.380 12.001 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.805 -7.555 11.192 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.208 -7.145 12.788 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.323 -8.844 11.858 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.659 -8.598 12.988 1.00 0.00 H new ATOM 613 N MET A 63 10.716 -5.120 9.205 1.00 0.00 N ATOM 614 CA MET A 63 10.791 -4.816 7.773 1.00 0.00 C ATOM 615 C MET A 63 9.858 -3.628 7.471 1.00 0.00 C ATOM 616 O MET A 63 8.640 -3.712 7.625 1.00 0.00 O ATOM 617 CB MET A 63 10.400 -6.074 6.989 1.00 0.00 C ATOM 618 CG MET A 63 10.535 -5.907 5.480 1.00 0.00 C ATOM 619 SD MET A 63 9.960 -7.355 4.525 1.00 0.00 S ATOM 620 CE MET A 63 11.260 -8.528 4.876 1.00 0.00 C ATOM 0 H MET A 63 9.771 -5.333 9.524 1.00 0.00 H new ATOM 0 HA MET A 63 11.800 -4.532 7.475 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.026 -6.906 7.313 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.370 -6.338 7.228 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.968 -5.029 5.169 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.580 -5.714 5.237 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.596 -8.987 3.946 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.096 -8.014 5.350 1.00 0.00 H new ATOM 0 HE3 MET A 63 10.882 -9.300 5.546 1.00 0.00 H new ATOM 622 N ASP A 64 10.515 -2.484 7.368 1.00 0.00 N ATOM 623 CA ASP A 64 9.867 -1.186 7.053 1.00 0.00 C ATOM 624 C ASP A 64 9.258 -1.149 5.642 1.00 0.00 C ATOM 625 O ASP A 64 9.695 -1.908 4.776 1.00 0.00 O ATOM 626 CB ASP A 64 10.858 -0.036 7.243 1.00 0.00 C ATOM 627 CG ASP A 64 11.266 0.177 8.704 1.00 0.00 C ATOM 628 OD1 ASP A 64 12.230 -0.496 9.126 1.00 0.00 O ATOM 629 OD2 ASP A 64 10.598 1.008 9.351 1.00 0.00 O ATOM 0 H ASP A 64 11.524 -2.412 7.499 1.00 0.00 H new ATOM 0 HA ASP A 64 9.039 -1.067 7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.750 -0.233 6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.415 0.883 6.859 1.00 0.00 H new ATOM 631 N GLY A 65 8.438 -0.129 5.386 1.00 0.00 N ATOM 632 CA GLY A 65 7.714 0.085 4.111 1.00 0.00 C ATOM 633 C GLY A 65 8.593 -0.042 2.863 1.00 0.00 C ATOM 634 O GLY A 65 8.359 -0.913 2.022 1.00 0.00 O ATOM 0 H GLY A 65 8.247 0.599 6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.899 -0.636 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.262 1.077 4.124 1.00 0.00 H new ATOM 636 N LEU A 66 9.664 0.748 2.811 1.00 0.00 N ATOM 637 CA LEU A 66 10.607 0.737 1.687 1.00 0.00 C ATOM 638 C LEU A 66 11.236 -0.645 1.427 1.00 0.00 C ATOM 639 O LEU A 66 11.274 -1.100 0.278 1.00 0.00 O ATOM 640 CB LEU A 66 11.641 1.846 1.931 1.00 0.00 C ATOM 641 CG LEU A 66 12.589 2.017 0.739 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.900 2.440 -0.561 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.664 3.066 1.053 1.00 0.00 C ATOM 0 H LEU A 66 9.905 1.414 3.545 1.00 0.00 H new ATOM 0 HA LEU A 66 10.070 0.942 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.125 2.787 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.220 1.612 2.824 1.00 0.00 H new ATOM 0 HG LEU A 66 13.018 1.027 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.644 2.538 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.165 1.687 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.400 3.397 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.328 3.174 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.187 4.023 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.241 2.747 1.921 1.00 0.00 H new ATOM 645 N GLU A 67 11.578 -1.371 2.481 1.00 0.00 N ATOM 646 CA GLU A 67 12.141 -2.738 2.338 1.00 0.00 C ATOM 647 C GLU A 67 11.060 -3.719 1.859 1.00 0.00 C ATOM 648 O GLU A 67 11.315 -4.552 0.996 1.00 0.00 O ATOM 649 CB GLU A 67 12.777 -3.206 3.653 1.00 0.00 C ATOM 650 CG GLU A 67 13.574 -4.511 3.441 1.00 0.00 C ATOM 651 CD GLU A 67 14.212 -5.076 4.714 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.672 -4.804 5.806 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.229 -5.778 4.557 1.00 0.00 O ATOM 0 H GLU A 67 11.483 -1.054 3.446 1.00 0.00 H new ATOM 0 HA GLU A 67 12.927 -2.711 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.437 -2.430 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.001 -3.366 4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.909 -5.264 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.358 -4.328 2.706 1.00 0.00 H new ATOM 655 N LEU A 68 9.844 -3.577 2.398 1.00 0.00 N ATOM 656 CA LEU A 68 8.680 -4.400 1.995 1.00 0.00 C ATOM 657 C LEU A 68 8.408 -4.255 0.485 1.00 0.00 C ATOM 658 O LEU A 68 8.306 -5.258 -0.229 1.00 0.00 O ATOM 659 CB LEU A 68 7.476 -4.085 2.903 1.00 0.00 C ATOM 660 CG LEU A 68 6.150 -4.820 2.591 1.00 0.00 C ATOM 661 CD1 LEU A 68 5.315 -3.976 1.628 1.00 0.00 C ATOM 662 CD2 LEU A 68 6.315 -6.298 2.231 1.00 0.00 C ATOM 0 H LEU A 68 9.631 -2.893 3.124 1.00 0.00 H new ATOM 0 HA LEU A 68 8.894 -5.459 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.757 -4.315 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.288 -3.012 2.856 1.00 0.00 H new ATOM 0 HG LEU A 68 5.571 -4.905 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.381 -4.493 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.097 -3.011 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.871 -3.822 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.337 -6.734 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.944 -6.389 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.782 -6.825 3.063 1.00 0.00 H new ATOM 664 N LEU A 69 8.500 -3.023 -0.005 1.00 0.00 N ATOM 665 CA LEU A 69 8.364 -2.646 -1.423 1.00 0.00 C ATOM 666 C LEU A 69 9.292 -3.530 -2.289 1.00 0.00 C ATOM 667 O LEU A 69 8.824 -4.253 -3.159 1.00 0.00 O ATOM 668 CB LEU A 69 8.765 -1.163 -1.424 1.00 0.00 C ATOM 669 CG LEU A 69 8.442 -0.335 -2.663 1.00 0.00 C ATOM 670 CD1 LEU A 69 8.811 1.115 -2.342 1.00 0.00 C ATOM 671 CD2 LEU A 69 9.208 -0.784 -3.903 1.00 0.00 C ATOM 0 H LEU A 69 8.679 -2.218 0.596 1.00 0.00 H new ATOM 0 HA LEU A 69 7.368 -2.790 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.285 -0.687 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.841 -1.108 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 69 7.384 -0.457 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.595 1.745 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.228 1.458 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.873 1.176 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.932 -0.154 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.279 -0.698 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.961 -1.822 -4.128 1.00 0.00 H new ATOM 673 N LYS A 70 10.566 -3.615 -1.876 1.00 0.00 N ATOM 674 CA LYS A 70 11.606 -4.425 -2.541 1.00 0.00 C ATOM 675 C LYS A 70 11.245 -5.912 -2.662 1.00 0.00 C ATOM 676 O LYS A 70 11.262 -6.465 -3.758 1.00 0.00 O ATOM 677 CB LYS A 70 12.938 -4.346 -1.778 1.00 0.00 C ATOM 678 CG LYS A 70 13.900 -3.255 -2.235 1.00 0.00 C ATOM 679 CD LYS A 70 13.423 -1.828 -1.966 1.00 0.00 C ATOM 680 CE LYS A 70 14.571 -0.830 -2.124 1.00 0.00 C ATOM 681 NZ LYS A 70 15.071 -0.820 -3.512 1.00 0.00 N ATOM 0 H LYS A 70 10.911 -3.115 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 70 11.690 -4.000 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.721 -4.193 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.442 -5.308 -1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.858 -3.403 -1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.075 -3.369 -3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.617 -1.574 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.014 -1.761 -0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.231 0.168 -1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.381 -1.090 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.741 -0.034 -3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.552 -1.719 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.273 -0.700 -4.168 1.00 0.00 H new ATOM 686 N THR A 71 10.776 -6.491 -1.551 1.00 0.00 N ATOM 687 CA THR A 71 10.367 -7.922 -1.455 1.00 0.00 C ATOM 688 C THR A 71 9.074 -8.278 -2.203 1.00 0.00 C ATOM 689 O THR A 71 8.569 -9.391 -2.088 1.00 0.00 O ATOM 690 CB THR A 71 10.543 -8.415 -0.020 1.00 0.00 C ATOM 691 OG1 THR A 71 10.370 -9.832 -0.042 1.00 0.00 O ATOM 692 CG2 THR A 71 9.626 -7.734 0.997 1.00 0.00 C ATOM 0 H THR A 71 10.663 -5.983 -0.674 1.00 0.00 H new ATOM 0 HA THR A 71 11.052 -8.534 -2.042 1.00 0.00 H new ATOM 0 HB THR A 71 11.541 -8.147 0.326 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.672 -10.066 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.816 -8.143 1.989 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.822 -6.662 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.586 -7.912 0.725 1.00 0.00 H new ATOM 695 N ILE A 72 8.536 -7.302 -2.940 1.00 0.00 N ATOM 696 CA ILE A 72 7.369 -7.441 -3.830 1.00 0.00 C ATOM 697 C ILE A 72 7.880 -7.193 -5.263 1.00 0.00 C ATOM 698 O ILE A 72 8.136 -8.152 -5.982 1.00 0.00 O ATOM 699 CB ILE A 72 6.226 -6.464 -3.489 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.859 -6.511 -2.003 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.000 -6.810 -4.337 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.168 -5.218 -1.551 1.00 0.00 C ATOM 0 H ILE A 72 8.913 -6.354 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 72 6.941 -8.437 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 72 6.566 -5.452 -3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.201 -7.360 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.760 -6.669 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.188 -6.122 -4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.252 -6.723 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.685 -7.831 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.922 -5.288 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.836 -4.372 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.254 -5.074 -2.127 1.00 0.00 H new ATOM 704 N ARG A 73 8.335 -5.951 -5.489 1.00 0.00 N ATOM 705 CA ARG A 73 8.876 -5.445 -6.775 1.00 0.00 C ATOM 706 C ARG A 73 9.971 -6.339 -7.381 1.00 0.00 C ATOM 707 O ARG A 73 9.895 -6.706 -8.551 1.00 0.00 O ATOM 708 CB ARG A 73 9.322 -3.993 -6.648 1.00 0.00 C ATOM 709 CG ARG A 73 8.125 -3.037 -6.668 1.00 0.00 C ATOM 710 CD ARG A 73 7.381 -3.066 -8.004 1.00 0.00 C ATOM 711 NE ARG A 73 6.306 -2.062 -8.024 1.00 0.00 N ATOM 712 CZ ARG A 73 5.137 -2.155 -8.663 1.00 0.00 C ATOM 713 NH1 ARG A 73 4.763 -3.243 -9.327 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.297 -1.129 -8.617 1.00 0.00 N ATOM 0 H ARG A 73 8.340 -5.239 -4.758 1.00 0.00 H new ATOM 0 HA ARG A 73 8.054 -5.484 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.879 -3.862 -5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.000 -3.746 -7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.437 -3.303 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.470 -2.022 -6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.079 -2.874 -8.819 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.962 -4.058 -8.171 1.00 0.00 H new ATOM 0 HE ARG A 73 6.471 -1.206 -7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.379 -4.055 -9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.860 -3.267 -9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.549 -0.287 -8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.400 -1.182 -9.099 1.00 0.00 H new ATOM 721 N ALA A 74 10.923 -6.771 -6.542 1.00 0.00 N ATOM 722 CA ALA A 74 12.048 -7.637 -6.958 1.00 0.00 C ATOM 723 C ALA A 74 11.761 -9.151 -6.831 1.00 0.00 C ATOM 724 O ALA A 74 12.481 -9.980 -7.399 1.00 0.00 O ATOM 725 CB ALA A 74 13.290 -7.268 -6.144 1.00 0.00 C ATOM 0 H ALA A 74 10.939 -6.532 -5.551 1.00 0.00 H new ATOM 0 HA ALA A 74 12.208 -7.456 -8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.124 -7.902 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.545 -6.224 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.087 -7.415 -5.083 1.00 0.00 H new ATOM 727 N ASP A 75 10.659 -9.503 -6.173 1.00 0.00 N ATOM 728 CA ASP A 75 10.261 -10.906 -5.971 1.00 0.00 C ATOM 729 C ASP A 75 9.521 -11.392 -7.232 1.00 0.00 C ATOM 730 O ASP A 75 8.305 -11.258 -7.321 1.00 0.00 O ATOM 731 CB ASP A 75 9.369 -10.985 -4.721 1.00 0.00 C ATOM 732 CG ASP A 75 8.810 -12.374 -4.346 1.00 0.00 C ATOM 733 OD1 ASP A 75 8.784 -13.267 -5.231 1.00 0.00 O ATOM 734 OD2 ASP A 75 8.368 -12.508 -3.187 1.00 0.00 O ATOM 0 H ASP A 75 10.013 -8.829 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 75 11.127 -11.549 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.941 -10.610 -3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.527 -10.308 -4.862 1.00 0.00 H new ATOM 736 N GLY A 76 10.300 -11.933 -8.165 1.00 0.00 N ATOM 737 CA GLY A 76 9.873 -12.503 -9.468 1.00 0.00 C ATOM 738 C GLY A 76 8.360 -12.722 -9.664 1.00 0.00 C ATOM 739 O GLY A 76 7.680 -11.889 -10.254 1.00 0.00 O ATOM 0 H GLY A 76 11.310 -11.996 -8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.227 -11.844 -10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.376 -13.461 -9.602 1.00 0.00 H new ATOM 741 N ALA A 77 7.835 -13.729 -8.964 1.00 0.00 N ATOM 742 CA ALA A 77 6.410 -14.125 -9.024 1.00 0.00 C ATOM 743 C ALA A 77 5.383 -13.034 -8.646 1.00 0.00 C ATOM 744 O ALA A 77 4.329 -12.917 -9.277 1.00 0.00 O ATOM 745 CB ALA A 77 6.219 -15.343 -8.113 1.00 0.00 C ATOM 0 H ALA A 77 8.387 -14.305 -8.329 1.00 0.00 H new ATOM 0 HA ALA A 77 6.203 -14.338 -10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.175 -15.656 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.852 -16.160 -8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.494 -15.080 -7.092 1.00 0.00 H new ATOM 747 N MET A 78 5.722 -12.236 -7.634 1.00 0.00 N ATOM 748 CA MET A 78 4.915 -11.129 -7.066 1.00 0.00 C ATOM 749 C MET A 78 5.148 -9.714 -7.635 1.00 0.00 C ATOM 750 O MET A 78 4.351 -8.805 -7.399 1.00 0.00 O ATOM 751 CB MET A 78 5.208 -11.056 -5.565 1.00 0.00 C ATOM 752 CG MET A 78 4.647 -12.229 -4.755 1.00 0.00 C ATOM 753 SD MET A 78 5.175 -12.188 -2.998 1.00 0.00 S ATOM 754 CE MET A 78 4.585 -10.582 -2.498 1.00 0.00 C ATOM 0 H MET A 78 6.616 -12.341 -7.153 1.00 0.00 H new ATOM 0 HA MET A 78 3.888 -11.382 -7.331 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.287 -11.012 -5.419 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.795 -10.127 -5.171 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.558 -12.212 -4.804 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.972 -13.166 -5.207 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.487 -10.552 -1.413 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.293 -9.818 -2.820 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.614 -10.393 -2.955 1.00 0.00 H new ATOM 756 N SER A 79 6.236 -9.543 -8.369 1.00 0.00 N ATOM 757 CA SER A 79 6.727 -8.284 -8.984 1.00 0.00 C ATOM 758 C SER A 79 5.755 -7.164 -9.431 1.00 0.00 C ATOM 759 O SER A 79 6.024 -5.997 -9.178 1.00 0.00 O ATOM 760 CB SER A 79 7.659 -8.648 -10.142 1.00 0.00 C ATOM 761 OG SER A 79 8.312 -7.483 -10.661 1.00 0.00 O ATOM 0 H SER A 79 6.855 -10.327 -8.575 1.00 0.00 H new ATOM 0 HA SER A 79 7.199 -7.794 -8.132 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.405 -9.366 -9.801 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.088 -9.133 -10.934 1.00 0.00 H new ATOM 0 HG SER A 79 8.924 -7.123 -9.986 1.00 0.00 H new ATOM 764 N ALA A 80 4.576 -7.534 -9.944 1.00 0.00 N ATOM 765 CA ALA A 80 3.572 -6.584 -10.477 1.00 0.00 C ATOM 766 C ALA A 80 2.668 -5.772 -9.526 1.00 0.00 C ATOM 767 O ALA A 80 1.959 -4.873 -9.985 1.00 0.00 O ATOM 768 CB ALA A 80 2.720 -7.331 -11.513 1.00 0.00 C ATOM 0 H ALA A 80 4.282 -8.509 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 80 4.190 -5.781 -10.879 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.970 -6.655 -11.923 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.360 -7.694 -12.317 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.224 -8.176 -11.035 1.00 0.00 H new ATOM 770 N LEU A 81 2.681 -6.063 -8.218 1.00 0.00 N ATOM 771 CA LEU A 81 1.829 -5.369 -7.231 1.00 0.00 C ATOM 772 C LEU A 81 2.124 -3.881 -6.935 1.00 0.00 C ATOM 773 O LEU A 81 3.142 -3.573 -6.314 1.00 0.00 O ATOM 774 CB LEU A 81 1.802 -6.125 -5.896 1.00 0.00 C ATOM 775 CG LEU A 81 0.850 -7.313 -5.986 1.00 0.00 C ATOM 776 CD1 LEU A 81 1.552 -8.648 -6.231 1.00 0.00 C ATOM 777 CD2 LEU A 81 0.132 -7.400 -4.631 1.00 0.00 C ATOM 0 H LEU A 81 3.279 -6.783 -7.811 1.00 0.00 H new ATOM 0 HA LEU A 81 0.864 -5.369 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.805 -6.471 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.486 -5.455 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 81 0.182 -7.149 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.810 -9.445 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.102 -8.603 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.245 -8.850 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.565 -8.238 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.866 -7.548 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.416 -6.475 -4.449 1.00 0.00 H new ATOM 779 N PRO A 82 1.148 -2.987 -7.197 1.00 0.00 N ATOM 780 CA PRO A 82 1.259 -1.546 -6.905 1.00 0.00 C ATOM 781 C PRO A 82 1.533 -1.308 -5.415 1.00 0.00 C ATOM 782 O PRO A 82 0.877 -1.882 -4.540 1.00 0.00 O ATOM 783 CB PRO A 82 -0.050 -0.899 -7.343 1.00 0.00 C ATOM 784 CG PRO A 82 -0.992 -2.055 -7.660 1.00 0.00 C ATOM 785 CD PRO A 82 -0.097 -3.254 -7.953 1.00 0.00 C ATOM 0 HA PRO A 82 2.097 -1.105 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.458 -0.266 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.099 -0.264 -8.216 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.656 -2.259 -6.820 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.624 -1.820 -8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.564 -4.185 -7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.101 -3.349 -9.021 1.00 0.00 H new ATOM 786 N VAL A 83 2.372 -0.307 -5.184 1.00 0.00 N ATOM 787 CA VAL A 83 2.835 0.011 -3.818 1.00 0.00 C ATOM 788 C VAL A 83 2.537 1.454 -3.403 1.00 0.00 C ATOM 789 O VAL A 83 3.034 2.420 -3.993 1.00 0.00 O ATOM 790 CB VAL A 83 4.341 -0.273 -3.613 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.562 -0.637 -2.141 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.922 -1.433 -4.435 1.00 0.00 C ATOM 0 H VAL A 83 2.750 0.301 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 83 2.262 -0.658 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 83 4.847 0.635 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.619 -0.842 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.248 0.194 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.976 -1.522 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.983 -1.541 -4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.402 -2.356 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.794 -1.226 -5.497 1.00 0.00 H new ATOM 794 N LEU A 84 1.787 1.556 -2.303 1.00 0.00 N ATOM 795 CA LEU A 84 1.385 2.832 -1.697 1.00 0.00 C ATOM 796 C LEU A 84 2.091 3.008 -0.345 1.00 0.00 C ATOM 797 O LEU A 84 1.804 2.318 0.635 1.00 0.00 O ATOM 798 CB LEU A 84 -0.139 2.905 -1.536 1.00 0.00 C ATOM 799 CG LEU A 84 -0.669 4.293 -1.142 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.411 5.317 -2.240 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.180 4.215 -0.944 1.00 0.00 C ATOM 0 H LEU A 84 1.435 0.742 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 84 1.684 3.646 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.606 2.604 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.447 2.183 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.156 4.597 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.798 6.288 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.661 5.394 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.912 5.002 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.561 5.197 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.652 3.893 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.407 3.499 -0.154 1.00 0.00 H new ATOM 803 N MET A 85 3.120 3.847 -0.392 1.00 0.00 N ATOM 804 CA MET A 85 3.951 4.174 0.786 1.00 0.00 C ATOM 805 C MET A 85 3.302 5.212 1.700 1.00 0.00 C ATOM 806 O MET A 85 3.197 6.402 1.407 1.00 0.00 O ATOM 807 CB MET A 85 5.337 4.608 0.300 1.00 0.00 C ATOM 808 CG MET A 85 6.186 3.429 -0.195 1.00 0.00 C ATOM 809 SD MET A 85 6.794 2.342 1.143 1.00 0.00 S ATOM 810 CE MET A 85 5.841 0.869 0.843 1.00 0.00 C ATOM 0 H MET A 85 3.411 4.326 -1.244 1.00 0.00 H new ATOM 0 HA MET A 85 4.050 3.283 1.406 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.224 5.333 -0.506 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.861 5.112 1.112 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.595 2.835 -0.892 1.00 0.00 H new ATOM 0 HG3 MET A 85 7.040 3.817 -0.751 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.923 0.201 1.701 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.795 1.137 0.691 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.220 0.365 -0.046 1.00 0.00 H new ATOM 812 N VAL A 86 2.823 4.700 2.824 1.00 0.00 N ATOM 813 CA VAL A 86 2.158 5.529 3.847 1.00 0.00 C ATOM 814 C VAL A 86 3.245 6.070 4.790 1.00 0.00 C ATOM 815 O VAL A 86 3.705 5.430 5.739 1.00 0.00 O ATOM 816 CB VAL A 86 1.040 4.803 4.594 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.130 5.845 5.233 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.158 3.888 3.716 1.00 0.00 C ATOM 0 H VAL A 86 2.878 3.710 3.062 1.00 0.00 H new ATOM 0 HA VAL A 86 1.644 6.355 3.354 1.00 0.00 H new ATOM 0 HB VAL A 86 1.536 4.159 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.675 5.344 5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.707 6.455 5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.294 6.483 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.606 3.417 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.321 4.482 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.778 3.118 3.256 1.00 0.00 H new ATOM 820 N THR A 87 3.620 7.302 4.497 1.00 0.00 N ATOM 821 CA THR A 87 4.699 8.035 5.185 1.00 0.00 C ATOM 822 C THR A 87 4.285 9.265 5.998 1.00 0.00 C ATOM 823 O THR A 87 3.742 10.236 5.476 1.00 0.00 O ATOM 824 CB THR A 87 5.867 8.377 4.224 1.00 0.00 C ATOM 825 OG1 THR A 87 6.762 9.303 4.844 1.00 0.00 O ATOM 826 CG2 THR A 87 5.427 8.834 2.826 1.00 0.00 C ATOM 0 H THR A 87 3.178 7.846 3.756 1.00 0.00 H new ATOM 0 HA THR A 87 5.036 7.322 5.937 1.00 0.00 H new ATOM 0 HB THR A 87 6.399 7.444 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.178 8.883 5.625 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.307 9.052 2.221 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.847 8.043 2.351 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.815 9.732 2.913 1.00 0.00 H new ATOM 829 N ALA A 88 4.621 9.202 7.284 1.00 0.00 N ATOM 830 CA ALA A 88 4.368 10.278 8.272 1.00 0.00 C ATOM 831 C ALA A 88 5.249 11.527 8.041 1.00 0.00 C ATOM 832 O ALA A 88 4.966 12.611 8.538 1.00 0.00 O ATOM 833 CB ALA A 88 4.634 9.751 9.685 1.00 0.00 C ATOM 0 H ALA A 88 5.087 8.390 7.689 1.00 0.00 H new ATOM 0 HA ALA A 88 3.327 10.576 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.448 10.543 10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.973 8.909 9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.671 9.425 9.763 1.00 0.00 H new ATOM 835 N GLU A 89 6.325 11.314 7.292 1.00 0.00 N ATOM 836 CA GLU A 89 7.316 12.362 6.978 1.00 0.00 C ATOM 837 C GLU A 89 7.819 12.270 5.532 1.00 0.00 C ATOM 838 O GLU A 89 8.829 11.640 5.226 1.00 0.00 O ATOM 839 CB GLU A 89 8.475 12.386 7.996 1.00 0.00 C ATOM 840 CG GLU A 89 8.914 11.044 8.621 1.00 0.00 C ATOM 841 CD GLU A 89 9.335 9.971 7.616 1.00 0.00 C ATOM 842 OE1 GLU A 89 10.534 9.960 7.259 1.00 0.00 O ATOM 843 OE2 GLU A 89 8.466 9.143 7.264 1.00 0.00 O ATOM 0 H GLU A 89 6.545 10.408 6.879 1.00 0.00 H new ATOM 0 HA GLU A 89 6.799 13.318 7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.343 12.826 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.194 13.057 8.808 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.746 11.231 9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.093 10.655 9.223 1.00 0.00 H new ATOM 845 N ALA A 90 7.032 12.882 4.651 1.00 0.00 N ATOM 846 CA ALA A 90 7.333 12.933 3.207 1.00 0.00 C ATOM 847 C ALA A 90 8.406 14.013 2.961 1.00 0.00 C ATOM 848 O ALA A 90 8.163 15.212 3.081 1.00 0.00 O ATOM 849 CB ALA A 90 6.061 13.223 2.406 1.00 0.00 C ATOM 0 H ALA A 90 6.167 13.358 4.908 1.00 0.00 H new ATOM 0 HA ALA A 90 7.715 11.968 2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.300 13.257 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.329 12.436 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.647 14.182 2.716 1.00 0.00 H new ATOM 851 N LYS A 91 9.626 13.508 2.819 1.00 0.00 N ATOM 852 CA LYS A 91 10.834 14.323 2.607 1.00 0.00 C ATOM 853 C LYS A 91 11.437 13.927 1.257 1.00 0.00 C ATOM 854 O LYS A 91 11.561 12.734 0.969 1.00 0.00 O ATOM 855 CB LYS A 91 11.805 14.001 3.742 1.00 0.00 C ATOM 856 CG LYS A 91 13.045 14.896 3.756 1.00 0.00 C ATOM 857 CD LYS A 91 14.102 14.360 4.732 1.00 0.00 C ATOM 858 CE LYS A 91 14.787 13.097 4.196 1.00 0.00 C ATOM 859 NZ LYS A 91 15.668 12.539 5.234 1.00 0.00 N ATOM 0 H LYS A 91 9.815 12.506 2.847 1.00 0.00 H new ATOM 0 HA LYS A 91 10.616 15.391 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.284 14.100 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.119 12.961 3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.467 14.953 2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.763 15.909 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.852 15.130 4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.632 14.139 5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.038 12.360 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.365 13.335 3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.133 11.682 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.390 13.242 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.105 12.298 6.074 1.00 0.00 H new ATOM 864 N LYS A 92 11.869 14.934 0.504 1.00 0.00 N ATOM 865 CA LYS A 92 12.494 14.783 -0.839 1.00 0.00 C ATOM 866 C LYS A 92 13.290 13.483 -1.034 1.00 0.00 C ATOM 867 O LYS A 92 12.872 12.636 -1.830 1.00 0.00 O ATOM 868 CB LYS A 92 13.341 16.040 -1.086 1.00 0.00 C ATOM 869 CG LYS A 92 14.018 16.047 -2.459 1.00 0.00 C ATOM 870 CD LYS A 92 14.888 17.295 -2.631 1.00 0.00 C ATOM 871 CE LYS A 92 15.747 17.219 -3.899 1.00 0.00 C ATOM 872 NZ LYS A 92 14.916 17.162 -5.107 1.00 0.00 N ATOM 0 H LYS A 92 11.800 15.907 0.803 1.00 0.00 H new ATOM 0 HA LYS A 92 11.705 14.693 -1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 92 12.707 16.922 -0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.104 16.115 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.631 15.153 -2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.261 16.015 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.251 18.179 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.534 17.411 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.403 18.088 -3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.387 16.338 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.525 17.197 -5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.370 16.277 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.263 17.972 -5.118 1.00 0.00 H new ATOM 877 N GLU A 93 14.285 13.239 -0.185 1.00 0.00 N ATOM 878 CA GLU A 93 15.127 12.029 -0.263 1.00 0.00 C ATOM 879 C GLU A 93 14.360 10.703 -0.180 1.00 0.00 C ATOM 880 O GLU A 93 14.497 9.873 -1.079 1.00 0.00 O ATOM 881 CB GLU A 93 16.271 12.077 0.766 1.00 0.00 C ATOM 882 CG GLU A 93 17.246 13.237 0.525 1.00 0.00 C ATOM 883 CD GLU A 93 17.881 13.212 -0.872 1.00 0.00 C ATOM 884 OE1 GLU A 93 18.829 12.418 -1.052 1.00 0.00 O ATOM 885 OE2 GLU A 93 17.389 13.990 -1.720 1.00 0.00 O ATOM 0 H GLU A 93 14.537 13.867 0.578 1.00 0.00 H new ATOM 0 HA GLU A 93 15.551 12.046 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.849 12.167 1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 93 16.820 11.136 0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.718 14.181 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 93 18.035 13.202 1.276 1.00 0.00 H new ATOM 887 N ASN A 94 13.450 10.576 0.789 1.00 0.00 N ATOM 888 CA ASN A 94 12.639 9.351 0.940 1.00 0.00 C ATOM 889 C ASN A 94 11.617 9.170 -0.200 1.00 0.00 C ATOM 890 O ASN A 94 11.434 8.059 -0.695 1.00 0.00 O ATOM 891 CB ASN A 94 12.050 9.146 2.342 1.00 0.00 C ATOM 892 CG ASN A 94 11.058 10.180 2.889 1.00 0.00 C ATOM 893 OD1 ASN A 94 10.212 10.752 2.218 1.00 0.00 O ATOM 894 ND2 ASN A 94 11.110 10.380 4.187 1.00 0.00 N ATOM 0 H ASN A 94 13.252 11.299 1.481 1.00 0.00 H new ATOM 0 HA ASN A 94 13.347 8.528 0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.553 8.176 2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.882 9.085 3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 94 10.445 11.012 4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.816 9.903 4.749 1.00 0.00 H new ATOM 898 N ILE A 95 11.085 10.292 -0.704 1.00 0.00 N ATOM 899 CA ILE A 95 10.162 10.327 -1.862 1.00 0.00 C ATOM 900 C ILE A 95 10.872 9.721 -3.097 1.00 0.00 C ATOM 901 O ILE A 95 10.377 8.781 -3.708 1.00 0.00 O ATOM 902 CB ILE A 95 9.685 11.782 -2.076 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.796 12.213 -0.896 1.00 0.00 C ATOM 904 CG2 ILE A 95 8.985 11.987 -3.425 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.556 13.728 -0.804 1.00 0.00 C ATOM 0 H ILE A 95 11.282 11.216 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 95 9.273 9.722 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 95 10.566 12.423 -2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.833 11.709 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.255 11.873 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.673 13.027 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.674 11.741 -4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.111 11.339 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.920 13.944 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.511 14.241 -0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.067 14.075 -1.714 1.00 0.00 H new ATOM 907 N ILE A 96 12.091 10.212 -3.349 1.00 0.00 N ATOM 908 CA ILE A 96 12.961 9.749 -4.445 1.00 0.00 C ATOM 909 C ILE A 96 13.228 8.234 -4.310 1.00 0.00 C ATOM 910 O ILE A 96 12.887 7.469 -5.217 1.00 0.00 O ATOM 911 CB ILE A 96 14.260 10.600 -4.483 1.00 0.00 C ATOM 912 CG1 ILE A 96 13.989 12.095 -4.697 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.317 10.085 -5.468 1.00 0.00 C ATOM 914 CD1 ILE A 96 13.159 12.470 -5.933 1.00 0.00 C ATOM 0 H ILE A 96 12.511 10.955 -2.790 1.00 0.00 H new ATOM 0 HA ILE A 96 12.463 9.891 -5.404 1.00 0.00 H new ATOM 0 HB ILE A 96 14.686 10.481 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.479 12.479 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 96 14.948 12.610 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.192 10.734 -5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.606 9.070 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 96 14.905 10.084 -6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.036 13.552 -5.974 1.00 0.00 H new ATOM 0 HD12 ILE A 96 13.671 12.129 -6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.180 11.996 -5.871 1.00 0.00 H new ATOM 916 N ALA A 97 13.643 7.830 -3.104 1.00 0.00 N ATOM 917 CA ALA A 97 13.919 6.415 -2.743 1.00 0.00 C ATOM 918 C ALA A 97 12.735 5.503 -3.113 1.00 0.00 C ATOM 919 O ALA A 97 12.881 4.598 -3.934 1.00 0.00 O ATOM 920 CB ALA A 97 14.201 6.306 -1.240 1.00 0.00 C ATOM 0 H ALA A 97 13.802 8.478 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 97 14.793 6.088 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.402 5.266 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.067 6.917 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.334 6.657 -0.681 1.00 0.00 H new ATOM 922 N ALA A 98 11.552 5.929 -2.683 1.00 0.00 N ATOM 923 CA ALA A 98 10.265 5.237 -2.921 1.00 0.00 C ATOM 924 C ALA A 98 9.967 5.047 -4.417 1.00 0.00 C ATOM 925 O ALA A 98 9.901 3.908 -4.894 1.00 0.00 O ATOM 926 CB ALA A 98 9.156 6.039 -2.233 1.00 0.00 C ATOM 0 H ALA A 98 11.446 6.788 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 98 10.321 4.233 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.197 5.547 -2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.358 6.096 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.123 7.045 -2.650 1.00 0.00 H new ATOM 928 N ALA A 99 9.957 6.161 -5.145 1.00 0.00 N ATOM 929 CA ALA A 99 9.689 6.196 -6.599 1.00 0.00 C ATOM 930 C ALA A 99 10.647 5.294 -7.400 1.00 0.00 C ATOM 931 O ALA A 99 10.199 4.333 -8.027 1.00 0.00 O ATOM 932 CB ALA A 99 9.761 7.646 -7.089 1.00 0.00 C ATOM 0 H ALA A 99 10.136 7.082 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 99 8.688 5.799 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.564 7.678 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.016 8.245 -6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 99 10.754 8.048 -6.890 1.00 0.00 H new ATOM 934 N GLN A 100 11.943 5.440 -7.125 1.00 0.00 N ATOM 935 CA GLN A 100 13.013 4.663 -7.785 1.00 0.00 C ATOM 936 C GLN A 100 12.931 3.153 -7.506 1.00 0.00 C ATOM 937 O GLN A 100 13.209 2.345 -8.392 1.00 0.00 O ATOM 938 CB GLN A 100 14.393 5.188 -7.365 1.00 0.00 C ATOM 939 CG GLN A 100 14.635 6.618 -7.849 1.00 0.00 C ATOM 940 CD GLN A 100 16.040 7.106 -7.496 1.00 0.00 C ATOM 941 OE1 GLN A 100 16.424 7.263 -6.345 1.00 0.00 O ATOM 942 NE2 GLN A 100 16.846 7.352 -8.511 1.00 0.00 N ATOM 0 H GLN A 100 12.291 6.104 -6.434 1.00 0.00 H new ATOM 0 HA GLN A 100 12.868 4.799 -8.857 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.478 5.154 -6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.167 4.534 -7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.494 6.665 -8.929 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.896 7.283 -7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 100 16.517 7.218 -9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 100 17.798 7.676 -8.339 1.00 0.00 H new ATOM 946 N ALA A 101 12.553 2.800 -6.279 1.00 0.00 N ATOM 947 CA ALA A 101 12.402 1.412 -5.807 1.00 0.00 C ATOM 948 C ALA A 101 11.197 0.623 -6.351 1.00 0.00 C ATOM 949 O ALA A 101 11.205 -0.605 -6.297 1.00 0.00 O ATOM 950 CB ALA A 101 12.355 1.434 -4.275 1.00 0.00 C ATOM 0 H ALA A 101 12.335 3.488 -5.558 1.00 0.00 H new ATOM 0 HA ALA A 101 13.264 0.874 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.243 0.417 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.279 1.864 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.509 2.037 -3.946 1.00 0.00 H new ATOM 952 N GLY A 102 10.205 1.326 -6.912 1.00 0.00 N ATOM 953 CA GLY A 102 8.977 0.697 -7.454 1.00 0.00 C ATOM 954 C GLY A 102 7.664 1.195 -6.828 1.00 0.00 C ATOM 955 O GLY A 102 6.592 0.699 -7.180 1.00 0.00 O ATOM 0 H GLY A 102 10.223 2.341 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.940 0.874 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.045 -0.381 -7.310 1.00 0.00 H new ATOM 957 N ALA A 103 7.729 2.132 -5.868 1.00 0.00 N ATOM 958 CA ALA A 103 6.521 2.693 -5.234 1.00 0.00 C ATOM 959 C ALA A 103 5.699 3.523 -6.228 1.00 0.00 C ATOM 960 O ALA A 103 6.118 4.590 -6.675 1.00 0.00 O ATOM 961 CB ALA A 103 6.838 3.536 -4.002 1.00 0.00 C ATOM 0 H ALA A 103 8.604 2.518 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 103 5.931 1.836 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.912 3.923 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.347 2.920 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.482 4.368 -4.286 1.00 0.00 H new ATOM 963 N SER A 104 4.542 2.966 -6.558 1.00 0.00 N ATOM 964 CA SER A 104 3.584 3.578 -7.501 1.00 0.00 C ATOM 965 C SER A 104 2.936 4.879 -7.002 1.00 0.00 C ATOM 966 O SER A 104 2.270 5.572 -7.777 1.00 0.00 O ATOM 967 CB SER A 104 2.504 2.559 -7.899 1.00 0.00 C ATOM 968 OG SER A 104 1.797 2.107 -6.747 1.00 0.00 O ATOM 0 H SER A 104 4.229 2.071 -6.183 1.00 0.00 H new ATOM 0 HA SER A 104 4.173 3.863 -8.373 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.809 3.014 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.964 1.711 -8.406 1.00 0.00 H new ATOM 0 HG SER A 104 2.280 2.380 -5.939 1.00 0.00 H new ATOM 971 N GLY A 105 2.998 5.105 -5.692 1.00 0.00 N ATOM 972 CA GLY A 105 2.467 6.305 -5.020 1.00 0.00 C ATOM 973 C GLY A 105 2.760 6.293 -3.511 1.00 0.00 C ATOM 974 O GLY A 105 3.234 5.300 -2.963 1.00 0.00 O ATOM 0 H GLY A 105 3.429 4.445 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.906 7.196 -5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.391 6.365 -5.180 1.00 0.00 H new ATOM 976 N TYR A 106 2.525 7.455 -2.893 1.00 0.00 N ATOM 977 CA TYR A 106 2.733 7.618 -1.442 1.00 0.00 C ATOM 978 C TYR A 106 1.689 8.564 -0.817 1.00 0.00 C ATOM 979 O TYR A 106 1.344 9.587 -1.407 1.00 0.00 O ATOM 980 CB TYR A 106 4.166 8.078 -1.100 1.00 0.00 C ATOM 981 CG TYR A 106 4.500 9.536 -1.443 1.00 0.00 C ATOM 982 CD1 TYR A 106 4.264 10.535 -0.477 1.00 0.00 C ATOM 983 CD2 TYR A 106 5.086 9.821 -2.692 1.00 0.00 C ATOM 984 CE1 TYR A 106 4.625 11.863 -0.763 1.00 0.00 C ATOM 985 CE2 TYR A 106 5.443 11.154 -2.986 1.00 0.00 C ATOM 986 CZ TYR A 106 5.207 12.153 -2.020 1.00 0.00 C ATOM 987 OH TYR A 106 5.497 13.447 -2.301 1.00 0.00 O ATOM 0 H TYR A 106 2.193 8.295 -3.367 1.00 0.00 H new ATOM 0 HA TYR A 106 2.597 6.630 -1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.330 7.929 -0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.870 7.431 -1.624 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.812 10.283 0.471 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.259 9.034 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.461 12.647 -0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.890 11.405 -3.936 1.00 0.00 H new ATOM 0 HH TYR A 106 5.893 13.507 -3.195 1.00 0.00 H new ATOM 990 N VAL A 107 1.240 8.197 0.375 1.00 0.00 N ATOM 991 CA VAL A 107 0.267 9.012 1.125 1.00 0.00 C ATOM 992 C VAL A 107 0.761 9.331 2.540 1.00 0.00 C ATOM 993 O VAL A 107 1.465 8.531 3.165 1.00 0.00 O ATOM 994 CB VAL A 107 -1.158 8.400 1.052 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.414 7.249 2.020 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.202 9.488 1.275 1.00 0.00 C ATOM 0 H VAL A 107 1.528 7.342 0.852 1.00 0.00 H new ATOM 0 HA VAL A 107 0.182 9.985 0.641 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.237 7.973 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.435 6.888 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.715 6.438 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.275 7.597 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.199 9.051 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.054 9.938 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.100 10.253 0.506 1.00 0.00 H new ATOM 998 N VAL A 108 0.600 10.592 2.911 1.00 0.00 N ATOM 999 CA VAL A 108 1.001 11.083 4.256 1.00 0.00 C ATOM 1000 C VAL A 108 -0.086 10.736 5.288 1.00 0.00 C ATOM 1001 O VAL A 108 -1.273 10.979 5.066 1.00 0.00 O ATOM 1002 CB VAL A 108 1.340 12.590 4.228 1.00 0.00 C ATOM 1003 CG1 VAL A 108 1.825 13.099 5.591 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.439 12.894 3.201 1.00 0.00 C ATOM 0 H VAL A 108 0.195 11.310 2.310 1.00 0.00 H new ATOM 0 HA VAL A 108 1.916 10.575 4.561 1.00 0.00 H new ATOM 0 HB VAL A 108 0.414 13.097 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.051 14.163 5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.046 12.941 6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.723 12.555 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.655 13.962 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.342 12.340 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.102 12.596 2.208 1.00 0.00 H new ATOM 1006 N LYS A 109 0.364 10.121 6.368 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.524 9.727 7.492 1.00 0.00 C ATOM 1008 C LYS A 109 -0.550 10.807 8.591 1.00 0.00 C ATOM 1009 O LYS A 109 0.519 11.298 8.956 1.00 0.00 O ATOM 1010 CB LYS A 109 -0.173 8.341 8.058 1.00 0.00 C ATOM 1011 CG LYS A 109 1.300 8.114 8.390 1.00 0.00 C ATOM 1012 CD LYS A 109 1.504 6.833 9.197 1.00 0.00 C ATOM 1013 CE LYS A 109 3.002 6.528 9.353 1.00 0.00 C ATOM 1014 NZ LYS A 109 3.195 5.410 10.293 1.00 0.00 N ATOM 0 H LYS A 109 1.344 9.874 6.508 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.533 9.646 7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.759 8.179 8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.484 7.585 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.877 8.059 7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.682 8.965 8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.044 6.938 10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.007 6.000 8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.433 6.277 8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.526 7.413 9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.211 5.211 10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.800 5.664 11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.710 4.564 9.931 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.746 11.187 9.079 1.00 0.00 N ATOM 1020 CA PRO A 110 -3.070 10.670 8.672 1.00 0.00 C ATOM 1021 C PRO A 110 -3.616 11.273 7.371 1.00 0.00 C ATOM 1022 O PRO A 110 -3.475 12.459 7.090 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.982 10.986 9.867 1.00 0.00 C ATOM 1024 CG PRO A 110 -3.386 12.263 10.448 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.876 12.090 10.240 1.00 0.00 C ATOM 0 HA PRO A 110 -3.009 9.606 8.442 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.016 11.133 9.554 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.982 10.176 10.596 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.761 13.149 9.936 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.634 12.376 11.503 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.392 13.048 10.050 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.403 11.664 11.125 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.343 10.416 6.670 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.991 10.704 5.375 1.00 0.00 C ATOM 1028 C PHE A 111 -6.487 10.363 5.476 1.00 0.00 C ATOM 1029 O PHE A 111 -6.889 9.474 6.225 1.00 0.00 O ATOM 1030 CB PHE A 111 -4.307 9.963 4.225 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.245 8.439 4.394 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.257 7.877 5.231 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -5.217 7.636 3.770 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.271 6.487 5.471 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -5.210 6.250 3.987 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.247 5.681 4.859 1.00 0.00 C ATOM 0 H PHE A 111 -4.511 9.462 6.989 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.889 11.766 5.150 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.834 10.191 3.299 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.292 10.345 4.117 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.501 8.503 5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.963 8.083 3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.534 6.043 6.123 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.934 5.620 3.493 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.264 4.619 5.055 1.00 0.00 H new ATOM 1038 N THR A 112 -7.273 11.033 4.647 1.00 0.00 N ATOM 1039 CA THR A 112 -8.748 10.860 4.596 1.00 0.00 C ATOM 1040 C THR A 112 -9.141 9.928 3.441 1.00 0.00 C ATOM 1041 O THR A 112 -8.321 9.638 2.563 1.00 0.00 O ATOM 1042 CB THR A 112 -9.476 12.199 4.356 1.00 0.00 C ATOM 1043 OG1 THR A 112 -9.261 12.655 3.013 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.126 13.274 5.391 1.00 0.00 C ATOM 0 H THR A 112 -6.920 11.720 3.980 1.00 0.00 H new ATOM 0 HA THR A 112 -9.040 10.444 5.560 1.00 0.00 H new ATOM 0 HB THR A 112 -10.541 12.009 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.323 12.915 2.902 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.672 14.190 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.402 12.925 6.386 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.055 13.473 5.361 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.430 9.559 3.387 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.977 8.723 2.297 1.00 0.00 C ATOM 1049 C ALA A 113 -10.719 9.347 0.909 1.00 0.00 C ATOM 1050 O ALA A 113 -10.193 8.693 0.022 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.485 8.519 2.513 1.00 0.00 C ATOM 0 H ALA A 113 -11.120 9.827 4.089 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.466 7.760 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.888 7.903 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.652 8.023 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.987 9.487 2.514 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.864 10.674 0.855 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.636 11.484 -0.359 1.00 0.00 C ATOM 1055 C ALA A 114 -9.151 11.502 -0.758 1.00 0.00 C ATOM 1056 O ALA A 114 -8.807 11.181 -1.889 1.00 0.00 O ATOM 1057 CB ALA A 114 -11.153 12.902 -0.114 1.00 0.00 C ATOM 0 H ALA A 114 -11.147 11.230 1.662 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.180 11.035 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.989 13.508 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.219 12.867 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.620 13.343 0.728 1.00 0.00 H new ATOM 1059 N THR A 115 -8.280 11.750 0.234 1.00 0.00 N ATOM 1060 CA THR A 115 -6.813 11.768 0.049 1.00 0.00 C ATOM 1061 C THR A 115 -6.335 10.398 -0.465 1.00 0.00 C ATOM 1062 O THR A 115 -5.631 10.329 -1.474 1.00 0.00 O ATOM 1063 CB THR A 115 -6.082 12.078 1.370 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.766 13.097 2.102 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.643 12.536 1.112 1.00 0.00 C ATOM 0 H THR A 115 -8.571 11.945 1.192 1.00 0.00 H new ATOM 0 HA THR A 115 -6.582 12.550 -0.674 1.00 0.00 H new ATOM 0 HB THR A 115 -6.066 11.157 1.953 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.209 13.390 2.853 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.153 12.747 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.099 11.749 0.590 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.652 13.438 0.500 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.825 9.345 0.183 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.557 7.933 -0.153 1.00 0.00 C ATOM 1070 C LEU A 116 -6.959 7.648 -1.613 1.00 0.00 C ATOM 1071 O LEU A 116 -6.087 7.356 -2.429 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.321 7.034 0.832 1.00 0.00 C ATOM 1073 CG LEU A 116 -7.140 5.529 0.592 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.667 5.093 0.576 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.906 4.762 1.669 1.00 0.00 C ATOM 0 H LEU A 116 -7.444 9.446 0.988 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.492 7.721 -0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.996 7.269 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.383 7.273 0.774 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.535 5.302 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.607 4.019 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.140 5.619 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.207 5.331 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.785 3.691 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.517 5.028 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.964 5.019 1.616 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.211 7.967 -1.945 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.783 7.761 -3.290 1.00 0.00 C ATOM 1079 C GLU A 117 -7.950 8.438 -4.402 1.00 0.00 C ATOM 1080 O GLU A 117 -7.593 7.765 -5.364 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.222 8.286 -3.342 1.00 0.00 C ATOM 1082 CG GLU A 117 -10.940 7.795 -4.606 1.00 0.00 C ATOM 1083 CD GLU A 117 -11.650 8.935 -5.332 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -10.956 9.900 -5.729 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -12.889 8.843 -5.469 1.00 0.00 O ATOM 0 H GLU A 117 -8.869 8.381 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.769 6.687 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.766 7.954 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.216 9.376 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.218 7.330 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.665 7.027 -4.337 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.565 9.696 -4.183 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.766 10.470 -5.153 1.00 0.00 C ATOM 1089 C GLU A 118 -5.495 9.714 -5.594 1.00 0.00 C ATOM 1090 O GLU A 118 -5.301 9.489 -6.785 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.451 11.848 -4.538 1.00 0.00 C ATOM 1092 CG GLU A 118 -6.047 12.911 -5.562 1.00 0.00 C ATOM 1093 CD GLU A 118 -4.566 12.835 -5.955 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -3.754 13.382 -5.182 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -4.284 12.253 -7.026 1.00 0.00 O ATOM 0 H GLU A 118 -7.794 10.212 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.343 10.613 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -7.327 12.199 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.647 11.734 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.660 12.798 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -6.258 13.899 -5.154 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.803 9.134 -4.607 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.571 8.347 -4.828 1.00 0.00 C ATOM 1099 C LYS A 119 -3.856 7.048 -5.610 1.00 0.00 C ATOM 1100 O LYS A 119 -3.245 6.795 -6.649 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.892 7.983 -3.495 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.568 9.194 -2.608 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.579 10.176 -3.251 1.00 0.00 C ATOM 1104 CE LYS A 119 -1.381 11.417 -2.377 1.00 0.00 C ATOM 1105 NZ LYS A 119 -2.629 12.191 -2.289 1.00 0.00 N ATOM 0 H LYS A 119 -5.078 9.194 -3.626 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.904 8.978 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.541 7.304 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.969 7.442 -3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.493 9.722 -2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.156 8.842 -1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.620 9.681 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.946 10.475 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.060 11.118 -1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.589 12.039 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.417 13.156 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.079 12.231 -3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.274 11.734 -1.614 1.00 0.00 H new ATOM 1110 N LEU A 120 -4.863 6.298 -5.148 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.303 5.026 -5.765 1.00 0.00 C ATOM 1112 C LEU A 120 -5.665 5.205 -7.252 1.00 0.00 C ATOM 1113 O LEU A 120 -5.144 4.510 -8.124 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.519 4.466 -5.020 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.296 4.280 -3.508 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -7.618 3.907 -2.856 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.221 3.241 -3.188 1.00 0.00 C ATOM 0 H LEU A 120 -5.407 6.555 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.468 4.330 -5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.366 5.136 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -6.790 3.505 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.931 5.224 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.470 3.773 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.344 4.702 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.988 2.978 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.109 3.154 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.514 2.276 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.273 3.551 -3.627 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.485 6.224 -7.508 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.962 6.620 -8.845 1.00 0.00 C ATOM 1121 C ASN A 121 -5.812 6.897 -9.827 1.00 0.00 C ATOM 1122 O ASN A 121 -5.756 6.326 -10.917 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.872 7.833 -8.670 1.00 0.00 C ATOM 1124 CG ASN A 121 -9.255 7.442 -8.129 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.442 6.554 -7.304 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -10.286 8.135 -8.565 1.00 0.00 N ATOM 0 H ASN A 121 -6.852 6.822 -6.768 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.517 5.796 -9.292 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -7.403 8.542 -7.988 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.988 8.341 -9.628 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -11.222 7.930 -8.217 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -10.148 8.877 -9.251 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.857 7.696 -9.357 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.626 8.062 -10.096 1.00 0.00 C ATOM 1132 C LYS A 122 -2.873 6.800 -10.564 1.00 0.00 C ATOM 1133 O LYS A 122 -2.641 6.607 -11.755 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.766 8.928 -9.171 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.681 9.702 -9.920 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.870 10.549 -8.939 1.00 0.00 C ATOM 1137 CE LYS A 122 0.087 11.469 -9.700 1.00 0.00 C ATOM 1138 NZ LYS A 122 0.898 12.236 -8.747 1.00 0.00 N ATOM 0 H LYS A 122 -4.908 8.123 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.873 8.625 -10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.407 9.632 -8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.299 8.293 -8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -1.024 9.008 -10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.136 10.342 -10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.541 11.143 -8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.306 9.901 -8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.733 10.880 -10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.477 12.147 -10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.547 12.860 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.275 12.810 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.448 11.582 -8.154 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.689 5.871 -9.623 1.00 0.00 N ATOM 1144 CA ILE A 123 -2.011 4.573 -9.853 1.00 0.00 C ATOM 1145 C ILE A 123 -2.773 3.742 -10.907 1.00 0.00 C ATOM 1146 O ILE A 123 -2.187 3.251 -11.867 1.00 0.00 O ATOM 1147 CB ILE A 123 -1.842 3.822 -8.510 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -0.935 4.681 -7.605 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.245 2.413 -8.688 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -0.877 4.291 -6.122 1.00 0.00 C ATOM 0 H ILE A 123 -3.008 5.992 -8.662 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.013 4.748 -10.256 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.824 3.678 -8.060 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.078 4.646 -8.006 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.269 5.716 -7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.149 1.933 -7.714 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.901 1.817 -9.323 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.262 2.490 -9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.207 4.969 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -1.875 4.357 -5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.507 3.270 -6.029 1.00 0.00 H new ATOM 1152 N PHE A 124 -4.086 3.661 -10.735 1.00 0.00 N ATOM 1153 CA PHE A 124 -4.983 2.923 -11.657 1.00 0.00 C ATOM 1154 C PHE A 124 -4.919 3.405 -13.109 1.00 0.00 C ATOM 1155 O PHE A 124 -4.944 2.603 -14.040 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.428 2.934 -11.127 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.629 2.163 -9.820 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.727 1.150 -9.419 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.611 2.642 -8.918 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -5.751 0.678 -8.093 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.650 2.153 -7.594 1.00 0.00 C ATOM 1162 CZ PHE A 124 -6.692 1.198 -7.187 1.00 0.00 C ATOM 0 H PHE A 124 -4.574 4.101 -9.955 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.617 1.897 -11.679 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.739 3.968 -10.976 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -7.084 2.512 -11.888 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.022 0.740 -10.128 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.329 3.380 -9.243 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.050 -0.079 -7.773 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.402 2.504 -6.902 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.682 0.861 -6.161 1.00 0.00 H new ATOM 1164 N GLU A 125 -4.761 4.725 -13.266 1.00 0.00 N ATOM 1165 CA GLU A 125 -4.622 5.371 -14.581 1.00 0.00 C ATOM 1166 C GLU A 125 -3.363 4.858 -15.308 1.00 0.00 C ATOM 1167 O GLU A 125 -3.458 4.328 -16.415 1.00 0.00 O ATOM 1168 CB GLU A 125 -4.594 6.900 -14.409 1.00 0.00 C ATOM 1169 CG GLU A 125 -5.978 7.415 -13.986 1.00 0.00 C ATOM 1170 CD GLU A 125 -5.954 8.883 -13.555 1.00 0.00 C ATOM 1171 OE1 GLU A 125 -5.748 9.743 -14.438 1.00 0.00 O ATOM 1172 OE2 GLU A 125 -6.195 9.129 -12.348 1.00 0.00 O ATOM 0 H GLU A 125 -4.726 5.379 -12.484 1.00 0.00 H new ATOM 0 HA GLU A 125 -5.481 5.114 -15.200 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -3.852 7.175 -13.660 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -4.293 7.372 -15.344 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -6.675 7.295 -14.815 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.353 6.805 -13.164 1.00 0.00 H new ATOM 1174 N LYS A 126 -2.271 4.783 -14.549 1.00 0.00 N ATOM 1175 CA LYS A 126 -0.967 4.253 -15.001 1.00 0.00 C ATOM 1176 C LYS A 126 -1.088 2.771 -15.398 1.00 0.00 C ATOM 1177 O LYS A 126 -0.618 2.355 -16.452 1.00 0.00 O ATOM 1178 CB LYS A 126 0.035 4.476 -13.861 1.00 0.00 C ATOM 1179 CG LYS A 126 1.429 3.891 -14.094 1.00 0.00 C ATOM 1180 CD LYS A 126 2.325 4.167 -12.882 1.00 0.00 C ATOM 1181 CE LYS A 126 3.592 3.309 -12.930 1.00 0.00 C ATOM 1182 NZ LYS A 126 4.478 3.683 -11.819 1.00 0.00 N ATOM 0 H LYS A 126 -2.259 5.094 -13.578 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.620 4.772 -15.895 1.00 0.00 H new ATOM 0 HB2 LYS A 126 0.133 5.548 -13.689 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -0.375 4.043 -12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.357 2.817 -14.266 1.00 0.00 H new ATOM 0 HG3 LYS A 126 1.870 4.328 -14.990 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.597 5.222 -12.859 1.00 0.00 H new ATOM 0 HD3 LYS A 126 1.775 3.959 -11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 126 3.332 2.253 -12.862 1.00 0.00 H new ATOM 0 HE3 LYS A 126 4.104 3.451 -13.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 5.339 3.101 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.736 4.687 -11.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 3.987 3.526 -10.916 1.00 0.00 H new ATOM 1187 N LEU A 127 -1.812 2.011 -14.570 1.00 0.00 N ATOM 1188 CA LEU A 127 -2.098 0.574 -14.783 1.00 0.00 C ATOM 1189 C LEU A 127 -3.154 0.265 -15.869 1.00 0.00 C ATOM 1190 O LEU A 127 -3.520 -0.892 -16.070 1.00 0.00 O ATOM 1191 CB LEU A 127 -2.512 -0.070 -13.451 1.00 0.00 C ATOM 1192 CG LEU A 127 -1.353 -0.581 -12.559 1.00 0.00 C ATOM 1193 CD1 LEU A 127 -0.589 -1.721 -13.246 1.00 0.00 C ATOM 1194 CD2 LEU A 127 -0.415 0.520 -12.074 1.00 0.00 C ATOM 0 H LEU A 127 -2.227 2.378 -13.714 1.00 0.00 H new ATOM 0 HA LEU A 127 -1.170 0.144 -15.160 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.090 0.658 -12.881 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.177 -0.907 -13.665 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.819 -0.976 -11.656 1.00 0.00 H new ATOM 0 HD11 LEU A 127 0.219 -2.060 -12.598 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.270 -2.549 -13.441 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.172 -1.364 -14.188 1.00 0.00 H new ATOM 0 HD21 LEU A 127 0.370 0.083 -11.456 1.00 0.00 H new ATOM 0 HD22 LEU A 127 0.035 1.019 -12.932 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -0.978 1.245 -11.487 1.00 0.00 H new ATOM 1196 N GLY A 128 -3.621 1.310 -16.560 1.00 0.00 N ATOM 1197 CA GLY A 128 -4.626 1.239 -17.649 1.00 0.00 C ATOM 1198 C GLY A 128 -6.055 0.842 -17.233 1.00 0.00 C ATOM 1199 O GLY A 128 -6.811 0.332 -18.055 1.00 0.00 O ATOM 0 H GLY A 128 -3.306 2.263 -16.378 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -4.670 2.212 -18.138 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -4.275 0.524 -18.393 1.00 0.00 H new ATOM 1201 N MET A 129 -6.462 1.193 -16.017 1.00 0.00 N ATOM 1202 CA MET A 129 -7.815 0.881 -15.494 1.00 0.00 C ATOM 1203 C MET A 129 -8.933 1.792 -16.052 1.00 0.00 C ATOM 1204 O MET A 129 -10.028 1.242 -16.321 1.00 0.00 O ATOM 1205 CB MET A 129 -7.858 0.948 -13.960 1.00 0.00 C ATOM 1206 CG MET A 129 -7.114 -0.203 -13.290 1.00 0.00 C ATOM 1207 SD MET A 129 -7.897 -1.841 -13.548 1.00 0.00 S ATOM 1208 CE MET A 129 -6.906 -2.807 -12.424 1.00 0.00 C ATOM 1209 OXT MET A 129 -8.720 3.018 -16.077 1.00 0.00 O ATOM 0 H MET A 129 -5.874 1.702 -15.357 1.00 0.00 H new ATOM 0 HA MET A 129 -8.009 -0.135 -15.838 1.00 0.00 H new ATOM 0 HB2 MET A 129 -7.425 1.893 -13.631 1.00 0.00 H new ATOM 0 HB3 MET A 129 -8.897 0.942 -13.631 1.00 0.00 H new ATOM 0 HG2 MET A 129 -6.093 -0.235 -13.672 1.00 0.00 H new ATOM 0 HG3 MET A 129 -7.048 -0.007 -12.220 1.00 0.00 H new ATOM 0 HE1 MET A 129 -7.239 -3.845 -12.445 1.00 0.00 H new ATOM 0 HE2 MET A 129 -5.860 -2.756 -12.725 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.012 -2.412 -11.414 1.00 0.00 H new TER 1211 MET A 129