USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 873 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 34 GLN : amide:sc= 0.805 K(o=-1.8,f=-2.7) USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= -0.262 USER MOD Set 1.3: A 64 HIS : no HE2:sc= -2.35! C(o=-1.8!,f=-10!) USER MOD Set 1.4: A 104 TYR OH : rot 130:sc= 0 USER MOD Set 2.1: A 95 GLN : amide:sc= 1.64 K(o=2.6,f=-0.75) USER MOD Set 2.2: A 98 SER OG : rot 175:sc= 0.993 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.1) USER MOD Single : A 29 SER OG : rot -110:sc= 0.56 USER MOD Single : A 35 SER OG : rot -48:sc= 0.493 USER MOD Single : A 41 MET CE :methyl -175:sc= -0.605 (180deg=-0.675) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -0.0244 K(o=-0.024,f=-3.4) USER MOD Single : A 69 THR OG1 : rot 82:sc= 0.132 USER MOD Single : A 71 MET CE :methyl 175:sc= -0.612 (180deg=-0.78) USER MOD Single : A 75 GLN : amide:sc= 0.584 K(o=0.58,f=-0.0084) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -150:sc= 0 USER MOD Single : A 89 SER OG : rot -59:sc= 1.19 USER MOD Single : A 93 GLN : amide:sc= 1.1 K(o=1.1,f=-1.4!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.012) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot 74:sc= 0.0628 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 119 SER OG : rot -64:sc= 0.548 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl -175:sc= -0.497 (180deg=-0.517) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -1.862 27.901 1.853 1.00 0.00 N ATOM 2 CA MET A 23 -0.727 27.008 2.135 1.00 0.00 C ATOM 3 C MET A 23 -0.341 26.305 0.842 1.00 0.00 C ATOM 4 O MET A 23 -1.193 26.093 -0.024 1.00 0.00 O ATOM 5 CB MET A 23 -1.093 26.017 3.251 1.00 0.00 C ATOM 6 CG MET A 23 0.084 25.688 4.169 1.00 0.00 C ATOM 7 SD MET A 23 -0.472 24.855 5.677 1.00 0.00 S ATOM 8 CE MET A 23 1.104 24.525 6.480 1.00 0.00 C ATOM 0 HA MET A 23 0.132 27.576 2.493 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.905 26.433 3.847 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.466 25.096 2.803 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.794 25.052 3.640 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.611 26.605 4.431 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.930 24.013 7.426 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.717 23.896 5.834 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.621 25.466 6.667 1.00 0.00 H new ATOM 20 N LYS A 24 0.928 25.945 0.659 1.00 0.00 N ATOM 21 CA LYS A 24 1.286 24.941 -0.342 1.00 0.00 C ATOM 22 C LYS A 24 0.767 23.578 0.148 1.00 0.00 C ATOM 23 O LYS A 24 0.353 23.442 1.308 1.00 0.00 O ATOM 24 CB LYS A 24 2.820 24.940 -0.520 1.00 0.00 C ATOM 25 CG LYS A 24 3.288 24.223 -1.800 1.00 0.00 C ATOM 26 CD LYS A 24 4.662 23.556 -1.714 1.00 0.00 C ATOM 27 CE LYS A 24 5.820 24.556 -1.756 1.00 0.00 C ATOM 28 NZ LYS A 24 6.200 25.102 -0.440 1.00 0.00 N ATOM 0 H LYS A 24 1.716 26.327 1.182 1.00 0.00 H new ATOM 0 HA LYS A 24 0.837 25.159 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.177 25.970 -0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.278 24.460 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.550 23.464 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.304 24.946 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.722 22.979 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.769 22.851 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.689 24.069 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.548 25.382 -2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.989 25.769 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.387 25.597 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.492 24.325 0.187 1.00 0.00 H new ATOM 42 N VAL A 25 0.715 22.590 -0.735 1.00 0.00 N ATOM 43 CA VAL A 25 0.490 21.197 -0.395 1.00 0.00 C ATOM 44 C VAL A 25 1.909 20.602 -0.411 1.00 0.00 C ATOM 45 O VAL A 25 2.686 20.932 -1.315 1.00 0.00 O ATOM 46 CB VAL A 25 -0.423 20.526 -1.440 1.00 0.00 C ATOM 47 CG1 VAL A 25 -0.753 19.076 -1.057 1.00 0.00 C ATOM 48 CG2 VAL A 25 -1.749 21.286 -1.613 1.00 0.00 C ATOM 0 H VAL A 25 0.832 22.743 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.013 21.054 0.562 1.00 0.00 H new ATOM 0 HB VAL A 25 0.134 20.543 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.398 18.637 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.169 18.499 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.265 19.061 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.363 20.781 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.280 21.312 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.544 22.305 -1.942 1.00 0.00 H new ATOM 58 N PRO A 26 2.288 19.746 0.546 1.00 0.00 N ATOM 59 CA PRO A 26 3.609 19.129 0.552 1.00 0.00 C ATOM 60 C PRO A 26 3.778 18.154 -0.623 1.00 0.00 C ATOM 61 O PRO A 26 2.785 17.739 -1.234 1.00 0.00 O ATOM 62 CB PRO A 26 3.704 18.426 1.906 1.00 0.00 C ATOM 63 CG PRO A 26 2.269 18.164 2.288 1.00 0.00 C ATOM 64 CD PRO A 26 1.519 19.351 1.709 1.00 0.00 C ATOM 0 HA PRO A 26 4.408 19.860 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.273 17.499 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.205 19.051 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.910 17.222 1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.147 18.103 3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.500 19.079 1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.449 20.164 2.431 1.00 0.00 H new ATOM 72 N PRO A 27 5.021 17.753 -0.948 1.00 0.00 N ATOM 73 CA PRO A 27 5.252 16.714 -1.929 1.00 0.00 C ATOM 74 C PRO A 27 4.787 15.382 -1.353 1.00 0.00 C ATOM 75 O PRO A 27 5.066 15.056 -0.195 1.00 0.00 O ATOM 76 CB PRO A 27 6.757 16.708 -2.196 1.00 0.00 C ATOM 77 CG PRO A 27 7.329 17.179 -0.863 1.00 0.00 C ATOM 78 CD PRO A 27 6.288 18.200 -0.391 1.00 0.00 C ATOM 0 HA PRO A 27 4.705 16.883 -2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.118 15.715 -2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.027 17.377 -3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.439 16.356 -0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.314 17.631 -0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.245 18.241 0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.537 19.203 -0.738 1.00 0.00 H new ATOM 86 N HIS A 28 4.153 14.585 -2.200 1.00 0.00 N ATOM 87 CA HIS A 28 3.806 13.208 -1.927 1.00 0.00 C ATOM 88 C HIS A 28 4.248 12.454 -3.169 1.00 0.00 C ATOM 89 O HIS A 28 3.640 12.638 -4.224 1.00 0.00 O ATOM 90 CB HIS A 28 2.298 13.083 -1.667 1.00 0.00 C ATOM 91 CG HIS A 28 1.784 13.904 -0.512 1.00 0.00 C ATOM 92 ND1 HIS A 28 0.944 14.986 -0.623 1.00 0.00 N ATOM 93 CD2 HIS A 28 2.026 13.699 0.821 1.00 0.00 C ATOM 94 CE1 HIS A 28 0.667 15.413 0.613 1.00 0.00 C ATOM 95 NE2 HIS A 28 1.320 14.679 1.534 1.00 0.00 N ATOM 0 H HIS A 28 3.858 14.894 -3.126 1.00 0.00 H new ATOM 0 HA HIS A 28 4.287 12.809 -1.034 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.763 13.377 -2.570 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.061 12.035 -1.483 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.647 12.924 1.245 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.007 16.237 0.842 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.304 14.809 2.546 1.00 0.00 H new ATOM 103 N SER A 29 5.314 11.658 -3.086 1.00 0.00 N ATOM 104 CA SER A 29 5.726 10.775 -4.178 1.00 0.00 C ATOM 105 C SER A 29 4.868 9.504 -4.124 1.00 0.00 C ATOM 106 O SER A 29 5.359 8.380 -4.118 1.00 0.00 O ATOM 107 CB SER A 29 7.231 10.511 -4.100 1.00 0.00 C ATOM 108 OG SER A 29 7.950 11.737 -4.200 1.00 0.00 O ATOM 0 H SER A 29 5.915 11.607 -2.263 1.00 0.00 H new ATOM 0 HA SER A 29 5.559 11.239 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.473 10.015 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.532 9.838 -4.903 1.00 0.00 H new ATOM 0 HG SER A 29 8.418 11.772 -5.060 1.00 0.00 H new ATOM 114 N ILE A 30 3.561 9.712 -4.024 1.00 0.00 N ATOM 115 CA ILE A 30 2.521 8.724 -3.833 1.00 0.00 C ATOM 116 C ILE A 30 2.594 7.684 -4.942 1.00 0.00 C ATOM 117 O ILE A 30 2.471 6.497 -4.694 1.00 0.00 O ATOM 118 CB ILE A 30 1.178 9.515 -3.706 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.454 9.385 -2.352 1.00 0.00 C ATOM 120 CG2 ILE A 30 0.164 9.302 -4.841 1.00 0.00 C ATOM 121 CD1 ILE A 30 1.358 9.240 -1.125 1.00 0.00 C ATOM 0 H ILE A 30 3.176 10.655 -4.080 1.00 0.00 H new ATOM 0 HA ILE A 30 2.629 8.134 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 30 1.557 10.534 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.177 10.263 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.208 8.520 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.728 9.898 -4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.608 9.608 -5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.108 8.248 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.744 9.156 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.972 8.345 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.003 10.115 -1.043 1.00 0.00 H new ATOM 133 N GLU A 31 2.801 8.101 -6.179 1.00 0.00 N ATOM 134 CA GLU A 31 2.886 7.176 -7.295 1.00 0.00 C ATOM 135 C GLU A 31 4.114 6.262 -7.239 1.00 0.00 C ATOM 136 O GLU A 31 4.079 5.142 -7.747 1.00 0.00 O ATOM 137 CB GLU A 31 2.796 7.997 -8.561 1.00 0.00 C ATOM 138 CG GLU A 31 1.343 8.486 -8.738 1.00 0.00 C ATOM 139 CD GLU A 31 1.281 9.993 -8.970 1.00 0.00 C ATOM 140 OE1 GLU A 31 1.384 10.763 -7.990 1.00 0.00 O ATOM 141 OE2 GLU A 31 1.091 10.429 -10.129 1.00 0.00 O ATOM 0 H GLU A 31 2.914 9.081 -6.437 1.00 0.00 H new ATOM 0 HA GLU A 31 2.058 6.469 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.476 8.847 -8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.100 7.399 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.885 7.969 -9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.762 8.230 -7.852 1.00 0.00 H new ATOM 148 N ALA A 32 5.207 6.721 -6.634 1.00 0.00 N ATOM 149 CA ALA A 32 6.339 5.854 -6.315 1.00 0.00 C ATOM 150 C ALA A 32 5.920 4.860 -5.226 1.00 0.00 C ATOM 151 O ALA A 32 6.208 3.672 -5.343 1.00 0.00 O ATOM 152 CB ALA A 32 7.558 6.673 -5.879 1.00 0.00 C ATOM 0 H ALA A 32 5.333 7.694 -6.354 1.00 0.00 H new ATOM 0 HA ALA A 32 6.629 5.302 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.384 6.001 -5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.852 7.346 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.307 7.256 -4.993 1.00 0.00 H new ATOM 158 N GLU A 33 5.200 5.328 -4.202 1.00 0.00 N ATOM 159 CA GLU A 33 4.624 4.473 -3.163 1.00 0.00 C ATOM 160 C GLU A 33 3.733 3.390 -3.779 1.00 0.00 C ATOM 161 O GLU A 33 3.752 2.247 -3.332 1.00 0.00 O ATOM 162 CB GLU A 33 3.940 5.331 -2.072 1.00 0.00 C ATOM 163 CG GLU A 33 2.435 5.388 -1.954 1.00 0.00 C ATOM 164 CD GLU A 33 1.906 5.150 -0.543 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.682 3.973 -0.220 1.00 0.00 O ATOM 166 OE2 GLU A 33 1.577 6.154 0.144 1.00 0.00 O ATOM 0 H GLU A 33 5.000 6.320 -4.071 1.00 0.00 H new ATOM 0 HA GLU A 33 5.418 3.929 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.322 4.988 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.288 6.355 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.092 6.364 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.001 4.644 -2.622 1.00 0.00 H new ATOM 173 N GLN A 34 3.002 3.712 -4.849 1.00 0.00 N ATOM 174 CA GLN A 34 2.103 2.768 -5.494 1.00 0.00 C ATOM 175 C GLN A 34 2.856 1.563 -6.059 1.00 0.00 C ATOM 176 O GLN A 34 2.292 0.471 -6.093 1.00 0.00 O ATOM 177 CB GLN A 34 1.290 3.453 -6.597 1.00 0.00 C ATOM 178 CG GLN A 34 0.197 4.313 -5.961 1.00 0.00 C ATOM 179 CD GLN A 34 -0.786 4.893 -6.960 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.540 4.971 -8.165 1.00 0.00 O ATOM 181 NE2 GLN A 34 -1.936 5.312 -6.471 1.00 0.00 N ATOM 0 H GLN A 34 3.020 4.633 -5.287 1.00 0.00 H new ATOM 0 HA GLN A 34 1.417 2.403 -4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.942 4.071 -7.214 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.844 2.706 -7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.350 3.711 -5.235 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.665 5.129 -5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.122 5.239 -5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.640 5.709 -7.093 1.00 0.00 H new ATOM 190 N SER A 35 4.113 1.732 -6.474 1.00 0.00 N ATOM 191 CA SER A 35 4.961 0.624 -6.887 1.00 0.00 C ATOM 192 C SER A 35 5.424 -0.224 -5.696 1.00 0.00 C ATOM 193 O SER A 35 5.685 -1.411 -5.865 1.00 0.00 O ATOM 194 CB SER A 35 6.147 1.176 -7.673 1.00 0.00 C ATOM 195 OG SER A 35 5.693 1.723 -8.905 1.00 0.00 O ATOM 0 H SER A 35 4.567 2.643 -6.531 1.00 0.00 H new ATOM 0 HA SER A 35 4.381 -0.043 -7.525 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.657 1.943 -7.090 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.872 0.384 -7.861 1.00 0.00 H new ATOM 0 HG SER A 35 5.088 1.088 -9.341 1.00 0.00 H new ATOM 201 N VAL A 36 5.502 0.335 -4.488 1.00 0.00 N ATOM 202 CA VAL A 36 5.703 -0.461 -3.280 1.00 0.00 C ATOM 203 C VAL A 36 4.448 -1.297 -3.058 1.00 0.00 C ATOM 204 O VAL A 36 4.542 -2.520 -3.014 1.00 0.00 O ATOM 205 CB VAL A 36 6.024 0.409 -2.039 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.473 -0.462 -0.862 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.124 1.443 -2.296 1.00 0.00 C ATOM 0 H VAL A 36 5.429 1.339 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 36 6.572 -1.104 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 36 5.097 0.934 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.692 0.172 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.678 -1.161 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.368 -1.017 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.301 2.019 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.042 0.933 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.813 2.114 -3.097 1.00 0.00 H new ATOM 217 N LEU A 37 3.281 -0.651 -2.946 1.00 0.00 N ATOM 218 CA LEU A 37 2.019 -1.327 -2.661 1.00 0.00 C ATOM 219 C LEU A 37 1.775 -2.429 -3.686 1.00 0.00 C ATOM 220 O LEU A 37 1.486 -3.561 -3.314 1.00 0.00 O ATOM 221 CB LEU A 37 0.839 -0.344 -2.670 1.00 0.00 C ATOM 222 CG LEU A 37 0.910 0.808 -1.655 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.323 1.689 -1.868 1.00 0.00 C ATOM 224 CD2 LEU A 37 0.962 0.328 -0.199 1.00 0.00 C ATOM 0 H LEU A 37 3.190 0.359 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 37 2.092 -1.761 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.757 0.084 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.077 -0.906 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 37 1.835 1.359 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.304 2.519 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.320 2.079 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.225 1.098 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.011 1.190 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.067 -0.253 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.845 -0.294 -0.052 1.00 0.00 H new ATOM 236 N GLY A 38 1.919 -2.108 -4.970 1.00 0.00 N ATOM 237 CA GLY A 38 1.804 -3.060 -6.053 1.00 0.00 C ATOM 238 C GLY A 38 2.804 -4.198 -5.907 1.00 0.00 C ATOM 239 O GLY A 38 2.407 -5.361 -5.998 1.00 0.00 O ATOM 0 H GLY A 38 2.123 -1.159 -5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.792 -3.465 -6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.966 -2.552 -7.004 1.00 0.00 H new ATOM 243 N GLY A 39 4.080 -3.881 -5.654 1.00 0.00 N ATOM 244 CA GLY A 39 5.138 -4.873 -5.567 1.00 0.00 C ATOM 245 C GLY A 39 4.937 -5.852 -4.418 1.00 0.00 C ATOM 246 O GLY A 39 5.452 -6.961 -4.486 1.00 0.00 O ATOM 0 H GLY A 39 4.400 -2.924 -5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.189 -5.426 -6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.095 -4.367 -5.443 1.00 0.00 H new ATOM 250 N LEU A 40 4.179 -5.481 -3.382 1.00 0.00 N ATOM 251 CA LEU A 40 3.904 -6.348 -2.246 1.00 0.00 C ATOM 252 C LEU A 40 2.980 -7.499 -2.620 1.00 0.00 C ATOM 253 O LEU A 40 3.273 -8.633 -2.252 1.00 0.00 O ATOM 254 CB LEU A 40 3.287 -5.531 -1.104 1.00 0.00 C ATOM 255 CG LEU A 40 4.293 -4.633 -0.372 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.544 -3.732 0.614 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.342 -5.475 0.355 1.00 0.00 C ATOM 0 H LEU A 40 3.739 -4.563 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 40 4.851 -6.778 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.485 -4.911 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.833 -6.213 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 40 4.813 -4.012 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.256 -3.093 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.830 -3.113 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.012 -4.349 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.045 -4.818 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.850 -6.119 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.880 -6.089 -0.367 1.00 0.00 H new ATOM 269 N MET A 41 1.890 -7.247 -3.355 1.00 0.00 N ATOM 270 CA MET A 41 1.096 -8.358 -3.886 1.00 0.00 C ATOM 271 C MET A 41 1.915 -9.138 -4.919 1.00 0.00 C ATOM 272 O MET A 41 1.669 -10.328 -5.135 1.00 0.00 O ATOM 273 CB MET A 41 -0.208 -7.884 -4.549 1.00 0.00 C ATOM 274 CG MET A 41 -1.190 -7.172 -3.610 1.00 0.00 C ATOM 275 SD MET A 41 -1.103 -5.362 -3.540 1.00 0.00 S ATOM 276 CE MET A 41 -1.505 -4.866 -5.234 1.00 0.00 C ATOM 0 H MET A 41 1.547 -6.315 -3.589 1.00 0.00 H new ATOM 0 HA MET A 41 0.836 -8.993 -3.039 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.042 -7.210 -5.368 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.709 -8.746 -4.988 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.202 -7.451 -3.905 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.034 -7.557 -2.602 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.396 -3.786 -5.333 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.829 -5.364 -5.929 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.533 -5.149 -5.462 1.00 0.00 H new ATOM 286 N LEU A 42 2.839 -8.466 -5.614 1.00 0.00 N ATOM 287 CA LEU A 42 3.566 -9.036 -6.738 1.00 0.00 C ATOM 288 C LEU A 42 4.679 -9.972 -6.278 1.00 0.00 C ATOM 289 O LEU A 42 4.897 -11.011 -6.904 1.00 0.00 O ATOM 290 CB LEU A 42 4.076 -7.914 -7.658 1.00 0.00 C ATOM 291 CG LEU A 42 3.826 -8.224 -9.142 1.00 0.00 C ATOM 292 CD1 LEU A 42 3.792 -6.927 -9.956 1.00 0.00 C ATOM 293 CD2 LEU A 42 4.849 -9.221 -9.702 1.00 0.00 C ATOM 0 H LEU A 42 3.101 -7.503 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 42 2.881 -9.655 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.582 -6.978 -7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.144 -7.768 -7.494 1.00 0.00 H new ATOM 0 HG LEU A 42 2.852 -8.705 -9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.614 -7.161 -11.006 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.991 -6.286 -9.586 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.746 -6.410 -9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.634 -9.411 -10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.852 -8.806 -9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.789 -10.156 -9.145 1.00 0.00 H new ATOM 305 N ASP A 43 5.347 -9.666 -5.173 1.00 0.00 N ATOM 306 CA ASP A 43 6.371 -10.501 -4.550 1.00 0.00 C ATOM 307 C ASP A 43 6.233 -10.421 -3.049 1.00 0.00 C ATOM 308 O ASP A 43 6.802 -9.560 -2.379 1.00 0.00 O ATOM 309 CB ASP A 43 7.784 -10.126 -4.990 1.00 0.00 C ATOM 310 CG ASP A 43 8.823 -11.162 -4.545 1.00 0.00 C ATOM 311 OD1 ASP A 43 8.442 -12.269 -4.094 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.025 -10.943 -4.815 1.00 0.00 O ATOM 0 H ASP A 43 5.185 -8.796 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 43 6.214 -11.528 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.811 -10.030 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.045 -9.152 -4.577 1.00 0.00 H new ATOM 317 N ASN A 44 5.444 -11.352 -2.535 1.00 0.00 N ATOM 318 CA ASN A 44 4.980 -11.342 -1.157 1.00 0.00 C ATOM 319 C ASN A 44 6.141 -11.348 -0.169 1.00 0.00 C ATOM 320 O ASN A 44 5.998 -10.827 0.935 1.00 0.00 O ATOM 321 CB ASN A 44 4.070 -12.546 -0.876 1.00 0.00 C ATOM 322 CG ASN A 44 2.720 -12.476 -1.583 1.00 0.00 C ATOM 323 OD1 ASN A 44 2.627 -12.301 -2.795 1.00 0.00 O ATOM 324 ND2 ASN A 44 1.637 -12.712 -0.865 1.00 0.00 N ATOM 0 H ASN A 44 5.103 -12.149 -3.073 1.00 0.00 H new ATOM 0 HA ASN A 44 4.414 -10.420 -1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.584 -13.457 -1.183 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.903 -12.621 0.199 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.723 -12.749 -1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.714 -12.857 0.142 1.00 0.00 H new ATOM 331 N GLU A 45 7.292 -11.928 -0.523 1.00 0.00 N ATOM 332 CA GLU A 45 8.439 -11.975 0.388 1.00 0.00 C ATOM 333 C GLU A 45 9.221 -10.662 0.422 1.00 0.00 C ATOM 334 O GLU A 45 9.994 -10.444 1.356 1.00 0.00 O ATOM 335 CB GLU A 45 9.355 -13.163 0.067 1.00 0.00 C ATOM 336 CG GLU A 45 8.648 -14.490 0.382 1.00 0.00 C ATOM 337 CD GLU A 45 9.633 -15.569 0.825 1.00 0.00 C ATOM 338 OE1 GLU A 45 10.140 -15.492 1.970 1.00 0.00 O ATOM 339 OE2 GLU A 45 9.855 -16.537 0.059 1.00 0.00 O ATOM 0 H GLU A 45 7.454 -12.369 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 45 8.035 -12.120 1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.639 -13.137 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.275 -13.088 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.908 -14.330 1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.108 -14.832 -0.501 1.00 0.00 H new ATOM 346 N ARG A 46 8.986 -9.727 -0.502 1.00 0.00 N ATOM 347 CA ARG A 46 9.573 -8.392 -0.393 1.00 0.00 C ATOM 348 C ARG A 46 8.863 -7.585 0.699 1.00 0.00 C ATOM 349 O ARG A 46 9.339 -6.501 1.018 1.00 0.00 O ATOM 350 CB ARG A 46 9.536 -7.682 -1.757 1.00 0.00 C ATOM 351 CG ARG A 46 10.432 -8.379 -2.799 1.00 0.00 C ATOM 352 CD ARG A 46 11.914 -7.964 -2.734 1.00 0.00 C ATOM 353 NE ARG A 46 12.298 -7.122 -3.884 1.00 0.00 N ATOM 354 CZ ARG A 46 13.379 -6.338 -3.975 1.00 0.00 C ATOM 355 NH1 ARG A 46 14.220 -6.191 -2.962 1.00 0.00 N ATOM 356 NH2 ARG A 46 13.614 -5.658 -5.087 1.00 0.00 N ATOM 0 H ARG A 46 8.400 -9.868 -1.325 1.00 0.00 H new ATOM 0 HA ARG A 46 10.619 -8.481 -0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.510 -7.654 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.859 -6.648 -1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.362 -9.458 -2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.048 -8.161 -3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.099 -7.420 -1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.541 -8.856 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 46 11.676 -7.139 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.052 -6.682 -2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.036 -5.587 -3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.971 -5.731 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.438 -5.061 -5.155 1.00 0.00 H new ATOM 370 N TRP A 47 7.800 -8.115 1.322 1.00 0.00 N ATOM 371 CA TRP A 47 7.165 -7.556 2.510 1.00 0.00 C ATOM 372 C TRP A 47 8.173 -7.114 3.551 1.00 0.00 C ATOM 373 O TRP A 47 8.089 -5.981 4.002 1.00 0.00 O ATOM 374 CB TRP A 47 6.204 -8.568 3.125 1.00 0.00 C ATOM 375 CG TRP A 47 5.625 -8.165 4.448 1.00 0.00 C ATOM 376 CD1 TRP A 47 6.077 -8.569 5.658 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.602 -7.165 4.722 1.00 0.00 C ATOM 378 NE1 TRP A 47 5.354 -7.946 6.654 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.465 -7.030 6.134 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.812 -6.320 3.916 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.593 -6.099 6.716 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.952 -5.367 4.486 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.846 -5.249 5.881 1.00 0.00 C ATOM 0 H TRP A 47 7.350 -8.971 0.998 1.00 0.00 H new ATOM 0 HA TRP A 47 6.614 -6.672 2.187 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.387 -8.743 2.425 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.727 -9.516 3.247 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.881 -9.272 5.819 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.463 -8.139 7.650 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.869 -6.407 2.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.496 -6.036 7.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.368 -4.721 3.847 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.191 -4.506 6.312 1.00 0.00 H new ATOM 394 N ASP A 48 9.107 -7.976 3.947 1.00 0.00 N ATOM 395 CA ASP A 48 10.041 -7.652 5.034 1.00 0.00 C ATOM 396 C ASP A 48 10.947 -6.498 4.696 1.00 0.00 C ATOM 397 O ASP A 48 11.286 -5.678 5.540 1.00 0.00 O ATOM 398 CB ASP A 48 10.974 -8.832 5.252 1.00 0.00 C ATOM 399 CG ASP A 48 11.702 -8.730 6.596 1.00 0.00 C ATOM 400 OD1 ASP A 48 11.103 -8.296 7.604 1.00 0.00 O ATOM 401 OD2 ASP A 48 12.902 -9.085 6.655 1.00 0.00 O ATOM 0 H ASP A 48 9.241 -8.900 3.537 1.00 0.00 H new ATOM 0 HA ASP A 48 9.428 -7.408 5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.404 -9.760 5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.704 -8.874 4.444 1.00 0.00 H new ATOM 406 N ASP A 49 11.334 -6.506 3.433 1.00 0.00 N ATOM 407 CA ASP A 49 12.262 -5.575 2.792 1.00 0.00 C ATOM 408 C ASP A 49 11.664 -4.185 2.765 1.00 0.00 C ATOM 409 O ASP A 49 12.268 -3.191 3.153 1.00 0.00 O ATOM 410 CB ASP A 49 12.561 -6.051 1.357 1.00 0.00 C ATOM 411 CG ASP A 49 13.969 -5.745 0.865 1.00 0.00 C ATOM 412 OD1 ASP A 49 14.766 -5.048 1.528 1.00 0.00 O ATOM 413 OD2 ASP A 49 14.312 -6.240 -0.232 1.00 0.00 O ATOM 0 H ASP A 49 10.988 -7.208 2.779 1.00 0.00 H new ATOM 0 HA ASP A 49 13.192 -5.545 3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.399 -7.128 1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.845 -5.587 0.678 1.00 0.00 H new ATOM 418 N VAL A 50 10.411 -4.143 2.355 1.00 0.00 N ATOM 419 CA VAL A 50 9.564 -2.985 2.393 1.00 0.00 C ATOM 420 C VAL A 50 9.342 -2.581 3.849 1.00 0.00 C ATOM 421 O VAL A 50 9.585 -1.432 4.182 1.00 0.00 O ATOM 422 CB VAL A 50 8.295 -3.385 1.638 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.153 -2.398 1.900 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.578 -3.416 0.126 1.00 0.00 C ATOM 0 H VAL A 50 9.940 -4.961 1.968 1.00 0.00 H new ATOM 0 HA VAL A 50 9.987 -2.101 1.916 1.00 0.00 H new ATOM 0 HB VAL A 50 7.996 -4.372 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.267 -2.712 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.928 -2.377 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.450 -1.402 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.672 -3.701 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.898 -2.428 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.365 -4.141 -0.082 1.00 0.00 H new ATOM 434 N ALA A 51 8.930 -3.484 4.737 1.00 0.00 N ATOM 435 CA ALA A 51 8.657 -3.168 6.131 1.00 0.00 C ATOM 436 C ALA A 51 9.916 -2.745 6.892 1.00 0.00 C ATOM 437 O ALA A 51 9.826 -2.100 7.936 1.00 0.00 O ATOM 438 CB ALA A 51 7.967 -4.361 6.802 1.00 0.00 C ATOM 0 H ALA A 51 8.776 -4.465 4.503 1.00 0.00 H new ATOM 0 HA ALA A 51 7.988 -2.308 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.763 -4.123 7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.030 -4.575 6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.617 -5.234 6.749 1.00 0.00 H new ATOM 444 N GLU A 52 11.102 -3.037 6.368 1.00 0.00 N ATOM 445 CA GLU A 52 12.379 -2.567 6.869 1.00 0.00 C ATOM 446 C GLU A 52 12.529 -1.089 6.514 1.00 0.00 C ATOM 447 O GLU A 52 13.068 -0.296 7.287 1.00 0.00 O ATOM 448 CB GLU A 52 13.502 -3.350 6.159 1.00 0.00 C ATOM 449 CG GLU A 52 14.338 -4.221 7.093 1.00 0.00 C ATOM 450 CD GLU A 52 15.429 -3.432 7.820 1.00 0.00 C ATOM 451 OE1 GLU A 52 16.190 -2.667 7.178 1.00 0.00 O ATOM 452 OE2 GLU A 52 15.557 -3.566 9.057 1.00 0.00 O ATOM 0 H GLU A 52 11.198 -3.634 5.547 1.00 0.00 H new ATOM 0 HA GLU A 52 12.435 -2.708 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.059 -3.982 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.159 -2.643 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.684 -4.690 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.799 -5.024 6.518 1.00 0.00 H new ATOM 459 N ARG A 53 11.998 -0.705 5.358 1.00 0.00 N ATOM 460 CA ARG A 53 12.218 0.581 4.721 1.00 0.00 C ATOM 461 C ARG A 53 11.096 1.562 5.003 1.00 0.00 C ATOM 462 O ARG A 53 11.360 2.759 4.915 1.00 0.00 O ATOM 463 CB ARG A 53 12.382 0.340 3.210 1.00 0.00 C ATOM 464 CG ARG A 53 13.660 -0.450 2.896 1.00 0.00 C ATOM 465 CD ARG A 53 14.877 0.458 3.003 1.00 0.00 C ATOM 466 NE ARG A 53 16.061 -0.238 3.508 1.00 0.00 N ATOM 467 CZ ARG A 53 17.293 0.266 3.465 1.00 0.00 C ATOM 468 NH1 ARG A 53 17.505 1.459 2.902 1.00 0.00 N ATOM 469 NH2 ARG A 53 18.294 -0.444 3.975 1.00 0.00 N ATOM 0 H ARG A 53 11.377 -1.309 4.820 1.00 0.00 H new ATOM 0 HA ARG A 53 13.120 1.036 5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.516 -0.204 2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.409 1.297 2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.759 -1.286 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.599 -0.872 1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.099 0.878 2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.644 1.294 3.662 1.00 0.00 H new ATOM 0 HE ARG A 53 15.935 -1.164 3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.724 1.982 2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.448 1.847 2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.112 -1.358 4.390 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.245 -0.075 3.952 1.00 0.00 H new ATOM 483 N VAL A 54 9.894 1.095 5.327 1.00 0.00 N ATOM 484 CA VAL A 54 8.729 1.916 5.593 1.00 0.00 C ATOM 485 C VAL A 54 7.848 1.245 6.644 1.00 0.00 C ATOM 486 O VAL A 54 7.977 0.049 6.908 1.00 0.00 O ATOM 487 CB VAL A 54 7.922 2.110 4.290 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.489 3.221 3.412 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.752 0.860 3.417 1.00 0.00 C ATOM 0 H VAL A 54 9.703 0.097 5.413 1.00 0.00 H new ATOM 0 HA VAL A 54 9.055 2.887 5.966 1.00 0.00 H new ATOM 0 HB VAL A 54 6.936 2.377 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.885 3.316 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.472 4.163 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.516 2.980 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.171 1.112 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.732 0.491 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.232 0.088 3.984 1.00 0.00 H new ATOM 499 N VAL A 55 6.910 2.008 7.200 1.00 0.00 N ATOM 500 CA VAL A 55 5.818 1.533 8.039 1.00 0.00 C ATOM 501 C VAL A 55 4.516 2.151 7.514 1.00 0.00 C ATOM 502 O VAL A 55 4.557 3.062 6.682 1.00 0.00 O ATOM 503 CB VAL A 55 6.098 1.848 9.523 1.00 0.00 C ATOM 504 CG1 VAL A 55 7.262 1.001 10.048 1.00 0.00 C ATOM 505 CG2 VAL A 55 6.381 3.331 9.805 1.00 0.00 C ATOM 0 H VAL A 55 6.892 3.020 7.071 1.00 0.00 H new ATOM 0 HA VAL A 55 5.722 0.448 7.988 1.00 0.00 H new ATOM 0 HB VAL A 55 5.177 1.596 10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.442 1.240 11.096 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.014 -0.056 9.954 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.159 1.216 9.468 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.568 3.470 10.870 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.257 3.648 9.239 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.520 3.929 9.507 1.00 0.00 H new ATOM 515 N ALA A 56 3.351 1.717 8.018 1.00 0.00 N ATOM 516 CA ALA A 56 2.057 2.235 7.566 1.00 0.00 C ATOM 517 C ALA A 56 1.971 3.756 7.710 1.00 0.00 C ATOM 518 O ALA A 56 1.215 4.405 6.995 1.00 0.00 O ATOM 519 CB ALA A 56 0.895 1.605 8.341 1.00 0.00 C ATOM 0 H ALA A 56 3.282 1.004 8.744 1.00 0.00 H new ATOM 0 HA ALA A 56 1.977 1.969 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.048 2.013 7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.903 0.525 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.002 1.828 9.403 1.00 0.00 H new ATOM 525 N ASP A 57 2.713 4.314 8.664 1.00 0.00 N ATOM 526 CA ASP A 57 2.659 5.720 9.031 1.00 0.00 C ATOM 527 C ASP A 57 3.412 6.629 8.069 1.00 0.00 C ATOM 528 O ASP A 57 3.170 7.837 8.056 1.00 0.00 O ATOM 529 CB ASP A 57 3.271 5.874 10.421 1.00 0.00 C ATOM 530 CG ASP A 57 2.739 7.126 11.107 1.00 0.00 C ATOM 531 OD1 ASP A 57 1.496 7.262 11.222 1.00 0.00 O ATOM 532 OD2 ASP A 57 3.543 7.970 11.565 1.00 0.00 O ATOM 0 H ASP A 57 3.386 3.782 9.216 1.00 0.00 H new ATOM 0 HA ASP A 57 1.612 6.022 9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.040 4.996 11.025 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.357 5.930 10.342 1.00 0.00 H new ATOM 537 N ASP A 58 4.343 6.065 7.300 1.00 0.00 N ATOM 538 CA ASP A 58 5.155 6.774 6.318 1.00 0.00 C ATOM 539 C ASP A 58 4.333 7.078 5.068 1.00 0.00 C ATOM 540 O ASP A 58 4.402 8.188 4.519 1.00 0.00 O ATOM 541 CB ASP A 58 6.362 5.928 5.910 1.00 0.00 C ATOM 542 CG ASP A 58 7.475 5.900 6.949 1.00 0.00 C ATOM 543 OD1 ASP A 58 7.838 6.973 7.490 1.00 0.00 O ATOM 544 OD2 ASP A 58 8.001 4.796 7.203 1.00 0.00 O ATOM 0 H ASP A 58 4.558 5.069 7.347 1.00 0.00 H new ATOM 0 HA ASP A 58 5.494 7.704 6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.030 4.907 5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.763 6.313 4.972 1.00 0.00 H new ATOM 549 N PHE A 59 3.535 6.100 4.632 1.00 0.00 N ATOM 550 CA PHE A 59 2.526 6.277 3.599 1.00 0.00 C ATOM 551 C PHE A 59 1.527 7.332 4.080 1.00 0.00 C ATOM 552 O PHE A 59 1.414 7.598 5.285 1.00 0.00 O ATOM 553 CB PHE A 59 1.845 4.935 3.317 1.00 0.00 C ATOM 554 CG PHE A 59 2.782 3.788 2.966 1.00 0.00 C ATOM 555 CD1 PHE A 59 3.635 3.856 1.852 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.789 2.626 3.753 1.00 0.00 C ATOM 557 CE1 PHE A 59 4.409 2.745 1.469 1.00 0.00 C ATOM 558 CE2 PHE A 59 3.633 1.551 3.430 1.00 0.00 C ATOM 559 CZ PHE A 59 4.406 1.587 2.260 1.00 0.00 C ATOM 0 H PHE A 59 3.577 5.148 4.997 1.00 0.00 H new ATOM 0 HA PHE A 59 2.974 6.620 2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.263 4.651 4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.140 5.070 2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.698 4.772 1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.140 2.558 4.614 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.004 2.784 0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.687 0.694 4.085 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.995 0.729 1.970 1.00 0.00 H new ATOM 569 N TYR A 60 0.785 7.954 3.159 1.00 0.00 N ATOM 570 CA TYR A 60 -0.003 9.132 3.524 1.00 0.00 C ATOM 571 C TYR A 60 -1.489 9.041 3.213 1.00 0.00 C ATOM 572 O TYR A 60 -2.292 9.586 3.984 1.00 0.00 O ATOM 573 CB TYR A 60 0.634 10.393 2.921 1.00 0.00 C ATOM 574 CG TYR A 60 -0.056 11.673 3.356 1.00 0.00 C ATOM 575 CD1 TYR A 60 -0.029 12.065 4.708 1.00 0.00 C ATOM 576 CD2 TYR A 60 -0.762 12.449 2.416 1.00 0.00 C ATOM 577 CE1 TYR A 60 -0.734 13.203 5.132 1.00 0.00 C ATOM 578 CE2 TYR A 60 -1.467 13.592 2.833 1.00 0.00 C ATOM 579 CZ TYR A 60 -1.492 13.948 4.201 1.00 0.00 C ATOM 580 OH TYR A 60 -2.270 14.987 4.612 1.00 0.00 O ATOM 0 H TYR A 60 0.714 7.671 2.182 1.00 0.00 H new ATOM 0 HA TYR A 60 0.028 9.188 4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.684 10.437 3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.606 10.323 1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.537 11.487 5.423 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.762 12.166 1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.697 13.508 6.167 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.990 14.198 2.108 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.719 15.386 3.838 1.00 0.00 H new ATOM 590 N THR A 61 -1.907 8.405 2.119 1.00 0.00 N ATOM 591 CA THR A 61 -3.297 8.538 1.711 1.00 0.00 C ATOM 592 C THR A 61 -4.171 7.467 2.355 1.00 0.00 C ATOM 593 O THR A 61 -3.686 6.407 2.749 1.00 0.00 O ATOM 594 CB THR A 61 -3.408 8.600 0.190 1.00 0.00 C ATOM 595 OG1 THR A 61 -3.116 7.362 -0.389 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.494 9.667 -0.417 1.00 0.00 C ATOM 0 H THR A 61 -1.326 7.816 1.522 1.00 0.00 H new ATOM 0 HA THR A 61 -3.687 9.486 2.081 1.00 0.00 H new ATOM 0 HB THR A 61 -4.441 8.870 -0.028 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.196 7.430 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.610 9.671 -1.501 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.763 10.646 -0.019 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.457 9.445 -0.164 1.00 0.00 H new ATOM 604 N ARG A 62 -5.476 7.742 2.445 1.00 0.00 N ATOM 605 CA ARG A 62 -6.461 6.780 2.928 1.00 0.00 C ATOM 606 C ARG A 62 -6.350 5.432 2.209 1.00 0.00 C ATOM 607 O ARG A 62 -6.219 4.434 2.918 1.00 0.00 O ATOM 608 CB ARG A 62 -7.872 7.387 2.872 1.00 0.00 C ATOM 609 CG ARG A 62 -8.925 6.452 3.495 1.00 0.00 C ATOM 610 CD ARG A 62 -10.266 7.164 3.713 1.00 0.00 C ATOM 611 NE ARG A 62 -10.124 8.279 4.665 1.00 0.00 N ATOM 612 CZ ARG A 62 -10.398 9.574 4.452 1.00 0.00 C ATOM 613 NH1 ARG A 62 -10.965 10.006 3.331 1.00 0.00 N ATOM 614 NH2 ARG A 62 -10.076 10.474 5.373 1.00 0.00 N ATOM 0 H ARG A 62 -5.876 8.643 2.183 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.248 6.562 3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.878 8.342 3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.138 7.593 1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.074 5.589 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.556 6.074 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.641 7.540 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.002 6.453 4.088 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.777 8.038 5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.208 9.344 2.594 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.157 11.000 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.622 10.179 6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.282 11.461 5.216 1.00 0.00 H new ATOM 628 N PRO A 63 -6.386 5.352 0.861 1.00 0.00 N ATOM 629 CA PRO A 63 -6.353 4.066 0.184 1.00 0.00 C ATOM 630 C PRO A 63 -5.047 3.330 0.467 1.00 0.00 C ATOM 631 O PRO A 63 -5.064 2.164 0.855 1.00 0.00 O ATOM 632 CB PRO A 63 -6.565 4.370 -1.309 1.00 0.00 C ATOM 633 CG PRO A 63 -6.108 5.812 -1.463 1.00 0.00 C ATOM 634 CD PRO A 63 -6.552 6.411 -0.131 1.00 0.00 C ATOM 0 HA PRO A 63 -7.133 3.394 0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.983 3.698 -1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.610 4.250 -1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.031 5.888 -1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.581 6.304 -2.313 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.950 7.283 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.589 6.742 -0.178 1.00 0.00 H new ATOM 642 N HIS A 64 -3.922 4.023 0.305 1.00 0.00 N ATOM 643 CA HIS A 64 -2.597 3.458 0.471 1.00 0.00 C ATOM 644 C HIS A 64 -2.395 2.908 1.884 1.00 0.00 C ATOM 645 O HIS A 64 -1.951 1.772 2.063 1.00 0.00 O ATOM 646 CB HIS A 64 -1.583 4.561 0.187 1.00 0.00 C ATOM 647 CG HIS A 64 -1.497 5.054 -1.244 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.573 5.970 -1.661 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.198 4.655 -2.352 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.609 6.041 -2.999 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.650 5.325 -3.460 1.00 0.00 N ATOM 0 H HIS A 64 -3.912 5.011 0.050 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.468 2.624 -0.219 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.818 5.412 0.827 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.597 4.202 0.483 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.043 6.511 -1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.020 3.955 -2.371 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.091 6.589 -3.613 1.00 0.00 H new ATOM 659 N ARG A 65 -2.747 3.696 2.904 1.00 0.00 N ATOM 660 CA ARG A 65 -2.550 3.274 4.286 1.00 0.00 C ATOM 661 C ARG A 65 -3.448 2.106 4.616 1.00 0.00 C ATOM 662 O ARG A 65 -2.977 1.181 5.271 1.00 0.00 O ATOM 663 CB ARG A 65 -2.758 4.423 5.269 1.00 0.00 C ATOM 664 CG ARG A 65 -1.498 5.307 5.329 1.00 0.00 C ATOM 665 CD ARG A 65 -1.328 5.987 6.687 1.00 0.00 C ATOM 666 NE ARG A 65 -2.504 6.800 7.004 1.00 0.00 N ATOM 667 CZ ARG A 65 -3.204 6.777 8.134 1.00 0.00 C ATOM 668 NH1 ARG A 65 -2.745 6.199 9.241 1.00 0.00 N ATOM 669 NH2 ARG A 65 -4.396 7.351 8.114 1.00 0.00 N ATOM 0 H ARG A 65 -3.165 4.620 2.797 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.513 2.953 4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.617 5.021 4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.981 4.028 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.619 4.697 5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.553 6.067 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.179 5.234 7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.437 6.614 6.677 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.818 7.451 6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.827 5.754 9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.311 6.201 10.090 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.739 7.785 7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.972 7.360 8.956 1.00 0.00 H new ATOM 683 N HIS A 66 -4.701 2.105 4.153 1.00 0.00 N ATOM 684 CA HIS A 66 -5.526 0.932 4.310 1.00 0.00 C ATOM 685 C HIS A 66 -4.853 -0.319 3.780 1.00 0.00 C ATOM 686 O HIS A 66 -4.903 -1.341 4.458 1.00 0.00 O ATOM 687 CB HIS A 66 -6.870 1.069 3.623 1.00 0.00 C ATOM 688 CG HIS A 66 -7.878 0.264 4.381 1.00 0.00 C ATOM 689 ND1 HIS A 66 -7.726 -0.972 4.980 1.00 0.00 N ATOM 690 CD2 HIS A 66 -9.019 0.814 4.847 1.00 0.00 C ATOM 691 CE1 HIS A 66 -8.798 -1.172 5.765 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.603 -0.092 5.741 1.00 0.00 N ATOM 0 H HIS A 66 -5.147 2.890 3.679 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.678 0.840 5.385 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.172 2.116 3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.805 0.720 2.592 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -6.944 -1.614 4.850 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.413 1.783 4.578 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -8.987 -2.070 6.334 1.00 0.00 H new ATOM 700 N ILE A 67 -4.282 -0.254 2.578 1.00 0.00 N ATOM 701 CA ILE A 67 -3.644 -1.394 1.941 1.00 0.00 C ATOM 702 C ILE A 67 -2.553 -1.914 2.873 1.00 0.00 C ATOM 703 O ILE A 67 -2.617 -3.079 3.259 1.00 0.00 O ATOM 704 CB ILE A 67 -3.175 -1.013 0.517 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.422 -0.833 -0.378 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.247 -2.083 -0.080 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.143 -0.049 -1.662 1.00 0.00 C ATOM 0 H ILE A 67 -4.251 0.599 2.019 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.338 -2.221 1.787 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.606 -0.085 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.817 -1.815 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.197 -0.319 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.939 -1.780 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.367 -2.195 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.777 -3.034 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.062 0.039 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.777 0.946 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.391 -0.573 -2.252 1.00 0.00 H new ATOM 719 N PHE A 68 -1.600 -1.075 3.288 1.00 0.00 N ATOM 720 CA PHE A 68 -0.510 -1.559 4.129 1.00 0.00 C ATOM 721 C PHE A 68 -0.993 -2.025 5.509 1.00 0.00 C ATOM 722 O PHE A 68 -0.479 -3.019 6.014 1.00 0.00 O ATOM 723 CB PHE A 68 0.607 -0.521 4.240 1.00 0.00 C ATOM 724 CG PHE A 68 1.936 -1.144 4.628 1.00 0.00 C ATOM 725 CD1 PHE A 68 2.725 -1.777 3.650 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.402 -1.082 5.956 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.982 -2.308 3.993 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.665 -1.601 6.294 1.00 0.00 C ATOM 729 CZ PHE A 68 4.459 -2.210 5.310 1.00 0.00 C ATOM 0 H PHE A 68 -1.562 -0.081 3.061 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.098 -2.439 3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.715 -0.004 3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.330 0.230 4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.365 -1.855 2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.785 -0.633 6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.583 -2.794 3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.024 -1.531 7.310 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.433 -2.602 5.565 1.00 0.00 H new ATOM 739 N THR A 69 -1.991 -1.371 6.117 1.00 0.00 N ATOM 740 CA THR A 69 -2.588 -1.845 7.364 1.00 0.00 C ATOM 741 C THR A 69 -3.221 -3.226 7.162 1.00 0.00 C ATOM 742 O THR A 69 -3.099 -4.095 8.027 1.00 0.00 O ATOM 743 CB THR A 69 -3.619 -0.811 7.860 1.00 0.00 C ATOM 744 OG1 THR A 69 -2.970 0.390 8.249 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.455 -1.296 9.051 1.00 0.00 C ATOM 0 H THR A 69 -2.401 -0.508 5.760 1.00 0.00 H new ATOM 0 HA THR A 69 -1.815 -1.953 8.125 1.00 0.00 H new ATOM 0 HB THR A 69 -4.291 -0.648 7.017 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.786 0.934 7.455 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.158 -0.516 9.344 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.006 -2.193 8.768 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.796 -1.524 9.889 1.00 0.00 H new ATOM 753 N GLU A 70 -3.915 -3.441 6.045 1.00 0.00 N ATOM 754 CA GLU A 70 -4.612 -4.685 5.785 1.00 0.00 C ATOM 755 C GLU A 70 -3.594 -5.797 5.545 1.00 0.00 C ATOM 756 O GLU A 70 -3.724 -6.873 6.117 1.00 0.00 O ATOM 757 CB GLU A 70 -5.568 -4.507 4.593 1.00 0.00 C ATOM 758 CG GLU A 70 -6.656 -5.584 4.572 1.00 0.00 C ATOM 759 CD GLU A 70 -7.690 -5.414 5.690 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.670 -4.428 6.465 1.00 0.00 O ATOM 761 OE2 GLU A 70 -8.508 -6.338 5.872 1.00 0.00 O ATOM 0 H GLU A 70 -4.006 -2.752 5.298 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.215 -4.967 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.032 -3.522 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.001 -4.545 3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.164 -5.560 3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.190 -6.565 4.662 1.00 0.00 H new ATOM 768 N MET A 71 -2.548 -5.520 4.766 1.00 0.00 N ATOM 769 CA MET A 71 -1.420 -6.418 4.572 1.00 0.00 C ATOM 770 C MET A 71 -0.803 -6.782 5.922 1.00 0.00 C ATOM 771 O MET A 71 -0.674 -7.965 6.237 1.00 0.00 O ATOM 772 CB MET A 71 -0.378 -5.747 3.673 1.00 0.00 C ATOM 773 CG MET A 71 -0.831 -5.587 2.224 1.00 0.00 C ATOM 774 SD MET A 71 0.307 -4.544 1.288 1.00 0.00 S ATOM 775 CE MET A 71 -0.200 -4.956 -0.395 1.00 0.00 C ATOM 0 H MET A 71 -2.464 -4.648 4.244 1.00 0.00 H new ATOM 0 HA MET A 71 -1.766 -7.333 4.091 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.138 -4.765 4.080 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.540 -6.334 3.695 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.899 -6.567 1.752 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.830 -5.151 2.200 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.344 -4.330 -1.102 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.019 -6.005 -0.595 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.270 -4.782 -0.505 1.00 0.00 H new ATOM 785 N ALA A 72 -0.459 -5.779 6.736 1.00 0.00 N ATOM 786 CA ALA A 72 0.166 -5.977 8.034 1.00 0.00 C ATOM 787 C ALA A 72 -0.698 -6.855 8.929 1.00 0.00 C ATOM 788 O ALA A 72 -0.177 -7.767 9.576 1.00 0.00 O ATOM 789 CB ALA A 72 0.427 -4.629 8.720 1.00 0.00 C ATOM 0 H ALA A 72 -0.611 -4.798 6.503 1.00 0.00 H new ATOM 0 HA ALA A 72 1.118 -6.481 7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.895 -4.799 9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.089 -4.026 8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.517 -4.103 8.860 1.00 0.00 H new ATOM 795 N ARG A 73 -2.003 -6.576 9.007 1.00 0.00 N ATOM 796 CA ARG A 73 -2.872 -7.318 9.907 1.00 0.00 C ATOM 797 C ARG A 73 -3.141 -8.722 9.372 1.00 0.00 C ATOM 798 O ARG A 73 -3.235 -9.634 10.187 1.00 0.00 O ATOM 799 CB ARG A 73 -4.140 -6.516 10.232 1.00 0.00 C ATOM 800 CG ARG A 73 -5.270 -6.661 9.216 1.00 0.00 C ATOM 801 CD ARG A 73 -6.392 -5.671 9.521 1.00 0.00 C ATOM 802 NE ARG A 73 -7.603 -6.043 8.786 1.00 0.00 N ATOM 803 CZ ARG A 73 -8.513 -6.960 9.126 1.00 0.00 C ATOM 804 NH1 ARG A 73 -8.502 -7.507 10.338 1.00 0.00 N ATOM 805 NH2 ARG A 73 -9.421 -7.316 8.232 1.00 0.00 N ATOM 0 H ARG A 73 -2.470 -5.850 8.463 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.363 -7.460 10.860 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.508 -6.827 11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.875 -5.462 10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.887 -6.488 8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.659 -7.679 9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.596 -5.659 10.592 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.084 -4.663 9.244 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.771 -5.544 7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.795 -7.227 11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.201 -8.206 10.588 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.417 -6.892 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.125 -8.014 8.470 1.00 0.00 H new ATOM 819 N LEU A 74 -3.245 -8.925 8.054 1.00 0.00 N ATOM 820 CA LEU A 74 -3.386 -10.239 7.451 1.00 0.00 C ATOM 821 C LEU A 74 -2.168 -11.077 7.789 1.00 0.00 C ATOM 822 O LEU A 74 -2.316 -12.182 8.299 1.00 0.00 O ATOM 823 CB LEU A 74 -3.526 -10.093 5.924 1.00 0.00 C ATOM 824 CG LEU A 74 -4.949 -9.767 5.441 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.901 -9.310 3.977 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.878 -10.984 5.547 1.00 0.00 C ATOM 0 H LEU A 74 -3.233 -8.165 7.374 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.277 -10.731 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.852 -9.307 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.199 -11.020 5.452 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.342 -8.976 6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.910 -9.079 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.277 -8.420 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.482 -10.106 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.874 -10.713 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.486 -11.796 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.935 -11.309 6.586 1.00 0.00 H new ATOM 838 N GLN A 75 -0.970 -10.541 7.571 1.00 0.00 N ATOM 839 CA GLN A 75 0.272 -11.233 7.875 1.00 0.00 C ATOM 840 C GLN A 75 0.314 -11.638 9.339 1.00 0.00 C ATOM 841 O GLN A 75 0.797 -12.719 9.677 1.00 0.00 O ATOM 842 CB GLN A 75 1.420 -10.257 7.580 1.00 0.00 C ATOM 843 CG GLN A 75 2.815 -10.879 7.476 1.00 0.00 C ATOM 844 CD GLN A 75 3.085 -11.559 6.136 1.00 0.00 C ATOM 845 OE1 GLN A 75 2.664 -12.691 5.899 1.00 0.00 O ATOM 846 NE2 GLN A 75 3.820 -10.907 5.251 1.00 0.00 N ATOM 0 H GLN A 75 -0.837 -9.610 7.177 1.00 0.00 H new ATOM 0 HA GLN A 75 0.357 -12.138 7.273 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.202 -9.742 6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.438 -9.500 8.364 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.562 -10.102 7.636 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.938 -11.610 8.276 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.161 -9.969 5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.046 -11.342 4.356 1.00 0.00 H new ATOM 855 N GLU A 76 -0.207 -10.784 10.214 1.00 0.00 N ATOM 856 CA GLU A 76 -0.292 -11.056 11.630 1.00 0.00 C ATOM 857 C GLU A 76 -1.149 -12.290 11.900 1.00 0.00 C ATOM 858 O GLU A 76 -0.750 -13.167 12.667 1.00 0.00 O ATOM 859 CB GLU A 76 -0.859 -9.825 12.333 1.00 0.00 C ATOM 860 CG GLU A 76 -0.316 -9.678 13.754 1.00 0.00 C ATOM 861 CD GLU A 76 0.963 -8.851 13.673 1.00 0.00 C ATOM 862 OE1 GLU A 76 0.841 -7.605 13.624 1.00 0.00 O ATOM 863 OE2 GLU A 76 2.068 -9.408 13.503 1.00 0.00 O ATOM 0 H GLU A 76 -0.585 -9.874 9.948 1.00 0.00 H new ATOM 0 HA GLU A 76 0.703 -11.268 12.021 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.614 -8.933 11.757 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.946 -9.894 12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.049 -9.189 14.396 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.113 -10.656 14.190 1.00 0.00 H new ATOM 870 N SER A 77 -2.293 -12.408 11.225 1.00 0.00 N ATOM 871 CA SER A 77 -3.162 -13.576 11.306 1.00 0.00 C ATOM 872 C SER A 77 -2.722 -14.702 10.355 1.00 0.00 C ATOM 873 O SER A 77 -3.460 -15.679 10.171 1.00 0.00 O ATOM 874 CB SER A 77 -4.632 -13.168 11.138 1.00 0.00 C ATOM 875 OG SER A 77 -4.863 -12.105 10.234 1.00 0.00 O ATOM 0 H SER A 77 -2.644 -11.683 10.599 1.00 0.00 H new ATOM 0 HA SER A 77 -3.065 -14.003 12.304 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.198 -14.038 10.803 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.028 -12.886 12.114 1.00 0.00 H new ATOM 0 HG SER A 77 -5.824 -11.916 10.190 1.00 0.00 H new ATOM 881 N GLY A 78 -1.508 -14.628 9.796 1.00 0.00 N ATOM 882 CA GLY A 78 -0.927 -15.718 9.028 1.00 0.00 C ATOM 883 C GLY A 78 -1.588 -15.840 7.663 1.00 0.00 C ATOM 884 O GLY A 78 -1.625 -16.934 7.098 1.00 0.00 O ATOM 0 H GLY A 78 -0.907 -13.807 9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.143 -15.549 8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.041 -16.654 9.575 1.00 0.00 H new ATOM 888 N SER A 79 -2.160 -14.750 7.162 1.00 0.00 N ATOM 889 CA SER A 79 -2.784 -14.677 5.864 1.00 0.00 C ATOM 890 C SER A 79 -1.807 -13.972 4.930 1.00 0.00 C ATOM 891 O SER A 79 -1.129 -13.033 5.355 1.00 0.00 O ATOM 892 CB SER A 79 -4.088 -13.890 5.972 1.00 0.00 C ATOM 893 OG SER A 79 -5.038 -14.610 6.731 1.00 0.00 O ATOM 0 H SER A 79 -2.198 -13.868 7.673 1.00 0.00 H new ATOM 0 HA SER A 79 -3.019 -15.670 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.899 -12.923 6.438 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.484 -13.692 4.976 1.00 0.00 H new ATOM 0 HG SER A 79 -5.868 -14.092 6.793 1.00 0.00 H new ATOM 899 N PRO A 80 -1.734 -14.391 3.662 1.00 0.00 N ATOM 900 CA PRO A 80 -0.845 -13.754 2.720 1.00 0.00 C ATOM 901 C PRO A 80 -1.333 -12.350 2.394 1.00 0.00 C ATOM 902 O PRO A 80 -2.514 -12.023 2.522 1.00 0.00 O ATOM 903 CB PRO A 80 -0.868 -14.638 1.475 1.00 0.00 C ATOM 904 CG PRO A 80 -2.233 -15.310 1.535 1.00 0.00 C ATOM 905 CD PRO A 80 -2.477 -15.471 3.033 1.00 0.00 C ATOM 0 HA PRO A 80 0.164 -13.651 3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.751 -14.050 0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.060 -15.370 1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.004 -14.699 1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.231 -16.272 1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.539 -15.406 3.267 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.132 -16.443 3.385 1.00 0.00 H new ATOM 913 N ILE A 81 -0.426 -11.585 1.804 1.00 0.00 N ATOM 914 CA ILE A 81 -0.693 -10.271 1.236 1.00 0.00 C ATOM 915 C ILE A 81 -1.007 -10.417 -0.265 1.00 0.00 C ATOM 916 O ILE A 81 -0.836 -9.487 -1.046 1.00 0.00 O ATOM 917 CB ILE A 81 0.484 -9.331 1.582 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.808 -9.743 0.902 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.635 -9.265 3.120 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.946 -8.788 1.256 1.00 0.00 C ATOM 0 H ILE A 81 0.548 -11.871 1.704 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.579 -9.806 1.667 1.00 0.00 H new ATOM 0 HB ILE A 81 0.254 -8.341 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.074 -10.755 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.671 -9.761 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.463 -8.604 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.285 -8.881 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.834 -10.264 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.860 -9.111 0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.691 -7.780 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.100 -8.790 2.335 1.00 0.00 H new ATOM 932 N ASP A 82 -1.480 -11.604 -0.662 1.00 0.00 N ATOM 933 CA ASP A 82 -1.922 -11.921 -2.017 1.00 0.00 C ATOM 934 C ASP A 82 -3.133 -11.091 -2.447 1.00 0.00 C ATOM 935 O ASP A 82 -3.957 -10.712 -1.615 1.00 0.00 O ATOM 936 CB ASP A 82 -2.288 -13.411 -2.063 1.00 0.00 C ATOM 937 CG ASP A 82 -2.002 -14.067 -3.402 1.00 0.00 C ATOM 938 OD1 ASP A 82 -2.324 -13.445 -4.437 1.00 0.00 O ATOM 939 OD2 ASP A 82 -1.644 -15.266 -3.406 1.00 0.00 O ATOM 0 H ASP A 82 -1.567 -12.395 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.110 -11.686 -2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.734 -13.937 -1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.347 -13.524 -1.832 1.00 0.00 H new ATOM 944 N LEU A 83 -3.263 -10.850 -3.755 1.00 0.00 N ATOM 945 CA LEU A 83 -4.202 -9.906 -4.361 1.00 0.00 C ATOM 946 C LEU A 83 -5.637 -10.181 -3.921 1.00 0.00 C ATOM 947 O LEU A 83 -6.284 -9.305 -3.347 1.00 0.00 O ATOM 948 CB LEU A 83 -4.052 -9.945 -5.899 1.00 0.00 C ATOM 949 CG LEU A 83 -4.547 -8.716 -6.699 1.00 0.00 C ATOM 950 CD1 LEU A 83 -5.966 -8.235 -6.388 1.00 0.00 C ATOM 951 CD2 LEU A 83 -3.611 -7.517 -6.527 1.00 0.00 C ATOM 0 H LEU A 83 -2.690 -11.330 -4.450 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.964 -8.900 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.997 -10.093 -6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.585 -10.822 -6.266 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.552 -9.089 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.201 -7.370 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.676 -9.036 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.033 -7.956 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.991 -6.673 -7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.560 -7.243 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.614 -7.779 -6.882 1.00 0.00 H new ATOM 963 N ILE A 84 -6.171 -11.372 -4.204 1.00 0.00 N ATOM 964 CA ILE A 84 -7.570 -11.658 -3.987 1.00 0.00 C ATOM 965 C ILE A 84 -7.851 -11.761 -2.481 1.00 0.00 C ATOM 966 O ILE A 84 -8.933 -11.391 -2.024 1.00 0.00 O ATOM 967 CB ILE A 84 -7.916 -12.963 -4.727 1.00 0.00 C ATOM 968 CG1 ILE A 84 -7.160 -13.222 -6.057 1.00 0.00 C ATOM 969 CG2 ILE A 84 -9.434 -13.020 -4.961 1.00 0.00 C ATOM 970 CD1 ILE A 84 -7.449 -12.262 -7.206 1.00 0.00 C ATOM 0 H ILE A 84 -5.640 -12.154 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.197 -10.857 -4.378 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.574 -13.763 -4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.090 -13.194 -5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.395 -14.233 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.687 -13.942 -5.485 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.951 -12.994 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.742 -12.165 -5.562 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.860 -12.549 -8.077 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.509 -12.302 -7.456 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.184 -11.248 -6.908 1.00 0.00 H new ATOM 982 N THR A 85 -6.886 -12.255 -1.704 1.00 0.00 N ATOM 983 CA THR A 85 -6.938 -12.307 -0.253 1.00 0.00 C ATOM 984 C THR A 85 -7.126 -10.900 0.317 1.00 0.00 C ATOM 985 O THR A 85 -8.079 -10.632 1.048 1.00 0.00 O ATOM 986 CB THR A 85 -5.687 -13.031 0.286 1.00 0.00 C ATOM 987 OG1 THR A 85 -5.505 -14.257 -0.412 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.803 -13.338 1.783 1.00 0.00 C ATOM 0 H THR A 85 -6.022 -12.641 -2.085 1.00 0.00 H new ATOM 0 HA THR A 85 -7.800 -12.886 0.077 1.00 0.00 H new ATOM 0 HB THR A 85 -4.837 -12.367 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.070 -14.908 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.901 -13.848 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.923 -12.407 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.668 -13.978 1.957 1.00 0.00 H new ATOM 996 N LEU A 86 -6.240 -9.992 -0.070 1.00 0.00 N ATOM 997 CA LEU A 86 -6.219 -8.593 0.332 1.00 0.00 C ATOM 998 C LEU A 86 -7.520 -7.903 -0.036 1.00 0.00 C ATOM 999 O LEU A 86 -8.129 -7.234 0.798 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.042 -7.926 -0.391 1.00 0.00 C ATOM 1001 CG LEU A 86 -4.868 -6.423 -0.123 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.469 -6.147 1.329 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -3.798 -5.893 -1.079 1.00 0.00 C ATOM 0 H LEU A 86 -5.477 -10.224 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.105 -8.515 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.124 -8.438 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.166 -8.074 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.819 -5.916 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.356 -5.073 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.242 -6.526 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.524 -6.645 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.655 -4.826 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.859 -6.418 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.116 -6.057 -2.108 1.00 0.00 H new ATOM 1015 N ALA A 87 -7.923 -8.059 -1.293 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.112 -7.429 -1.834 1.00 0.00 C ATOM 1017 C ALA A 87 -10.346 -7.845 -1.045 1.00 0.00 C ATOM 1018 O ALA A 87 -11.143 -6.999 -0.639 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.269 -7.784 -3.312 1.00 0.00 C ATOM 0 H ALA A 87 -7.423 -8.635 -1.970 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.005 -6.348 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.165 -7.306 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.397 -7.435 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.357 -8.865 -3.419 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.535 -9.149 -0.852 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.656 -9.629 -0.062 1.00 0.00 C ATOM 1027 C GLU A 88 -11.544 -9.240 1.407 1.00 0.00 C ATOM 1028 O GLU A 88 -12.581 -9.011 2.025 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.902 -11.121 -0.266 1.00 0.00 C ATOM 1030 CG GLU A 88 -12.379 -11.361 -1.708 1.00 0.00 C ATOM 1031 CD GLU A 88 -13.153 -12.663 -1.870 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -12.707 -13.718 -1.359 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -14.199 -12.643 -2.558 1.00 0.00 O ATOM 0 H GLU A 88 -9.932 -9.881 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.545 -9.119 -0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.987 -11.682 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.650 -11.479 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.010 -10.529 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.516 -11.373 -2.373 1.00 0.00 H new ATOM 1040 N SER A 89 -10.338 -9.103 1.966 1.00 0.00 N ATOM 1041 CA SER A 89 -10.155 -8.645 3.340 1.00 0.00 C ATOM 1042 C SER A 89 -10.595 -7.186 3.492 1.00 0.00 C ATOM 1043 O SER A 89 -11.299 -6.843 4.439 1.00 0.00 O ATOM 1044 CB SER A 89 -8.709 -8.871 3.780 1.00 0.00 C ATOM 1045 OG SER A 89 -8.616 -8.788 5.187 1.00 0.00 O ATOM 0 H SER A 89 -9.466 -9.307 1.478 1.00 0.00 H new ATOM 0 HA SER A 89 -10.792 -9.232 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.365 -9.848 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.059 -8.127 3.319 1.00 0.00 H new ATOM 0 HG SER A 89 -8.920 -7.905 5.483 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.264 -6.331 2.526 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.797 -4.975 2.455 1.00 0.00 C ATOM 1053 C LEU A 90 -12.322 -4.999 2.363 1.00 0.00 C ATOM 1054 O LEU A 90 -12.986 -4.115 2.902 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.179 -4.245 1.257 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.848 -3.575 1.628 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -7.962 -3.424 0.392 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -9.096 -2.205 2.272 1.00 0.00 C ATOM 0 H LEU A 90 -9.618 -6.561 1.771 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.534 -4.437 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.017 -4.952 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.876 -3.492 0.890 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.335 -4.211 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.023 -2.947 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.757 -4.407 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.473 -2.809 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.141 -1.745 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.631 -1.565 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.692 -2.330 3.176 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.907 -5.993 1.701 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.336 -6.240 1.745 1.00 0.00 C ATOM 1072 C GLU A 91 -14.827 -6.675 3.131 1.00 0.00 C ATOM 1073 O GLU A 91 -15.863 -6.181 3.566 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.720 -7.234 0.641 1.00 0.00 C ATOM 1075 CG GLU A 91 -15.792 -6.598 -0.230 1.00 0.00 C ATOM 1076 CD GLU A 91 -16.400 -7.563 -1.245 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -15.656 -8.310 -1.919 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -17.647 -7.538 -1.384 1.00 0.00 O ATOM 0 H GLU A 91 -12.394 -6.652 1.116 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.849 -5.297 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.847 -7.489 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.089 -8.162 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.584 -6.208 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.362 -5.748 -0.760 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.090 -7.517 3.872 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.402 -7.819 5.279 1.00 0.00 C ATOM 1087 C ARG A 92 -14.419 -6.530 6.104 1.00 0.00 C ATOM 1088 O ARG A 92 -15.197 -6.422 7.051 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.411 -8.817 5.921 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.145 -10.150 5.197 1.00 0.00 C ATOM 1091 CD ARG A 92 -14.259 -11.189 5.336 1.00 0.00 C ATOM 1092 NE ARG A 92 -13.821 -12.522 4.879 1.00 0.00 N ATOM 1093 CZ ARG A 92 -14.332 -13.678 5.321 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -15.472 -13.692 6.002 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -13.701 -14.823 5.092 1.00 0.00 N ATOM 0 H ARG A 92 -13.267 -8.005 3.517 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.386 -8.289 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.455 -8.307 6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.775 -9.049 6.922 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.987 -9.947 4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.219 -10.577 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.575 -11.247 6.378 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -15.126 -10.872 4.757 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.080 -12.566 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.964 -12.819 6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.856 -14.576 6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.821 -14.826 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.096 -15.700 5.432 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.571 -5.556 5.771 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.559 -4.244 6.405 1.00 0.00 C ATOM 1111 C GLN A 93 -14.700 -3.351 5.914 1.00 0.00 C ATOM 1112 O GLN A 93 -14.948 -2.316 6.538 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.224 -3.536 6.123 1.00 0.00 C ATOM 1114 CG GLN A 93 -11.006 -4.258 6.702 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.722 -3.857 8.145 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -11.625 -3.706 8.972 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.464 -3.641 8.472 1.00 0.00 N ATOM 0 H GLN A 93 -12.865 -5.661 5.043 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.689 -4.408 7.475 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.097 -3.437 5.045 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.265 -2.527 6.533 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.168 -5.335 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.132 -4.039 6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.727 -3.770 7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.227 -3.345 9.419 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.378 -3.685 4.809 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.316 -2.786 4.154 1.00 0.00 C ATOM 1128 C GLY A 94 -15.598 -1.508 3.727 1.00 0.00 C ATOM 1129 O GLY A 94 -16.110 -0.409 3.963 1.00 0.00 O ATOM 0 H GLY A 94 -15.286 -4.590 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.755 -3.275 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.135 -2.544 4.831 1.00 0.00 H new ATOM 1133 N GLN A 95 -14.378 -1.641 3.199 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.503 -0.557 2.769 1.00 0.00 C ATOM 1135 C GLN A 95 -12.854 -0.855 1.408 1.00 0.00 C ATOM 1136 O GLN A 95 -11.939 -0.137 1.006 1.00 0.00 O ATOM 1137 CB GLN A 95 -12.451 -0.261 3.864 1.00 0.00 C ATOM 1138 CG GLN A 95 -13.009 0.438 5.118 1.00 0.00 C ATOM 1139 CD GLN A 95 -13.494 1.857 4.823 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -12.738 2.827 4.866 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -14.753 2.008 4.456 1.00 0.00 N ATOM 0 H GLN A 95 -13.956 -2.558 3.054 1.00 0.00 H new ATOM 0 HA GLN A 95 -14.106 0.340 2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.985 -1.199 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.666 0.362 3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.834 -0.149 5.522 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.236 0.473 5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.375 1.200 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -15.104 2.933 4.206 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.313 -1.865 0.663 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.803 -2.123 -0.682 1.00 0.00 C ATOM 1152 C LEU A 96 -13.102 -0.952 -1.618 1.00 0.00 C ATOM 1153 O LEU A 96 -12.231 -0.545 -2.382 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.356 -3.441 -1.223 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.753 -3.835 -2.582 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.223 -3.964 -2.566 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.350 -5.178 -2.977 1.00 0.00 C ATOM 0 H LEU A 96 -14.036 -2.515 0.970 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.719 -2.219 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.160 -4.234 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.439 -3.361 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.990 -3.041 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.871 -4.244 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.780 -3.010 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.930 -4.730 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.943 -5.488 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.102 -5.923 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.433 -5.086 -3.054 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.287 -0.346 -1.531 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.565 0.897 -2.251 1.00 0.00 C ATOM 1171 C ASP A 97 -13.644 2.012 -1.765 1.00 0.00 C ATOM 1172 O ASP A 97 -13.188 2.831 -2.558 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.011 1.338 -2.046 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.249 2.696 -2.703 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.299 2.758 -3.954 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -16.421 3.700 -1.975 1.00 0.00 O ATOM 0 H ASP A 97 -15.066 -0.694 -0.972 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.392 0.706 -3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.688 0.597 -2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.232 1.398 -0.980 1.00 0.00 H new ATOM 1181 N SER A 98 -13.328 2.021 -0.470 1.00 0.00 N ATOM 1182 CA SER A 98 -12.488 3.028 0.153 1.00 0.00 C ATOM 1183 C SER A 98 -11.060 3.027 -0.408 1.00 0.00 C ATOM 1184 O SER A 98 -10.413 4.076 -0.358 1.00 0.00 O ATOM 1185 CB SER A 98 -12.498 2.821 1.672 1.00 0.00 C ATOM 1186 OG SER A 98 -12.417 4.034 2.390 1.00 0.00 O ATOM 0 H SER A 98 -13.659 1.311 0.183 1.00 0.00 H new ATOM 0 HA SER A 98 -12.898 4.011 -0.079 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.410 2.296 1.957 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.661 2.181 1.952 1.00 0.00 H new ATOM 0 HG SER A 98 -12.511 3.854 3.349 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.574 1.914 -0.976 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.293 1.925 -1.679 1.00 0.00 C ATOM 1194 C VAL A 99 -9.436 2.315 -3.155 1.00 0.00 C ATOM 1195 O VAL A 99 -8.460 2.737 -3.765 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.478 0.636 -1.467 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.179 0.438 0.027 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.139 -0.625 -2.029 1.00 0.00 C ATOM 0 H VAL A 99 -11.044 1.009 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.702 2.717 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.555 0.775 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.602 -0.477 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.606 1.288 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.116 0.362 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.500 -1.487 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.105 -0.775 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.284 -0.512 -3.103 1.00 0.00 H new ATOM 1208 N GLY A 100 -10.640 2.234 -3.721 1.00 0.00 N ATOM 1209 CA GLY A 100 -10.920 2.454 -5.139 1.00 0.00 C ATOM 1210 C GLY A 100 -11.447 1.197 -5.843 1.00 0.00 C ATOM 1211 O GLY A 100 -11.409 1.120 -7.075 1.00 0.00 O ATOM 0 H GLY A 100 -11.477 2.005 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.652 3.255 -5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.010 2.789 -5.637 1.00 0.00 H new ATOM 1215 N GLY A 101 -11.923 0.203 -5.090 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.413 -1.071 -5.595 1.00 0.00 C ATOM 1217 C GLY A 101 -11.270 -2.063 -5.797 1.00 0.00 C ATOM 1218 O GLY A 101 -10.091 -1.703 -5.736 1.00 0.00 O ATOM 0 H GLY A 101 -11.978 0.271 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.139 -1.487 -4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.933 -0.914 -6.540 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.618 -3.316 -6.107 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.671 -4.356 -6.505 1.00 0.00 C ATOM 1224 C PHE A 102 -9.792 -3.851 -7.651 1.00 0.00 C ATOM 1225 O PHE A 102 -8.585 -4.085 -7.658 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.451 -5.620 -6.907 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.610 -6.834 -7.241 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -9.854 -6.883 -8.429 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -10.610 -7.941 -6.374 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.056 -8.003 -8.711 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -9.812 -9.060 -6.654 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.027 -9.083 -7.818 1.00 0.00 C ATOM 0 H PHE A 102 -12.585 -3.639 -6.087 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.015 -4.605 -5.671 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.126 -5.882 -6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.071 -5.382 -7.771 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.889 -6.057 -9.124 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.228 -7.930 -5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.465 -8.032 -9.615 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -9.801 -9.901 -5.977 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.398 -9.936 -8.026 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.383 -3.117 -8.598 1.00 0.00 N ATOM 1243 CA ALA A 103 -9.687 -2.566 -9.746 1.00 0.00 C ATOM 1244 C ALA A 103 -8.500 -1.687 -9.349 1.00 0.00 C ATOM 1245 O ALA A 103 -7.530 -1.650 -10.101 1.00 0.00 O ATOM 1246 CB ALA A 103 -10.670 -1.773 -10.610 1.00 0.00 C ATOM 0 H ALA A 103 -11.377 -2.889 -8.581 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.282 -3.402 -10.316 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.146 -1.360 -11.472 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.467 -2.432 -10.952 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.098 -0.961 -10.022 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.537 -1.003 -8.199 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.406 -0.214 -7.722 1.00 0.00 C ATOM 1254 C TYR A 104 -6.252 -1.134 -7.331 1.00 0.00 C ATOM 1255 O TYR A 104 -5.113 -0.888 -7.711 1.00 0.00 O ATOM 1256 CB TYR A 104 -7.847 0.658 -6.543 1.00 0.00 C ATOM 1257 CG TYR A 104 -6.860 1.729 -6.122 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -6.954 3.020 -6.677 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -5.922 1.476 -5.100 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -6.149 4.065 -6.193 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.122 2.521 -4.604 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.247 3.824 -5.135 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.511 4.841 -4.614 1.00 0.00 O ATOM 0 H TYR A 104 -9.348 -0.984 -7.580 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.055 0.441 -8.520 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -8.791 1.139 -6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.042 0.011 -5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.650 3.208 -7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.818 0.479 -4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.220 5.050 -6.630 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.410 2.327 -3.815 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.597 4.840 -3.638 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.527 -2.223 -6.612 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.507 -3.194 -6.215 1.00 0.00 C ATOM 1275 C LEU A 105 -4.913 -3.859 -7.455 1.00 0.00 C ATOM 1276 O LEU A 105 -3.696 -3.984 -7.572 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.101 -4.250 -5.269 1.00 0.00 C ATOM 1278 CG LEU A 105 -6.760 -3.656 -4.012 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.479 -4.759 -3.240 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -5.749 -2.964 -3.095 1.00 0.00 C ATOM 0 H LEU A 105 -7.465 -2.457 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.714 -2.670 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.841 -4.837 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.311 -4.937 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.472 -2.900 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.945 -4.336 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.245 -5.206 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.761 -5.524 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.265 -2.562 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.998 -3.685 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.264 -2.152 -3.636 1.00 0.00 H new ATOM 1292 N ALA A 106 -5.769 -4.245 -8.403 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.343 -4.804 -9.673 1.00 0.00 C ATOM 1294 C ALA A 106 -4.474 -3.816 -10.453 1.00 0.00 C ATOM 1295 O ALA A 106 -3.467 -4.213 -11.041 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.578 -5.210 -10.475 1.00 0.00 C ATOM 0 H ALA A 106 -6.782 -4.175 -8.304 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.728 -5.685 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.268 -5.631 -11.431 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.146 -5.955 -9.917 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.203 -4.334 -10.650 1.00 0.00 H new ATOM 1302 N GLU A 107 -4.853 -2.537 -10.454 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.111 -1.455 -11.088 1.00 0.00 C ATOM 1304 C GLU A 107 -2.731 -1.360 -10.440 1.00 0.00 C ATOM 1305 O GLU A 107 -1.740 -1.356 -11.161 1.00 0.00 O ATOM 1306 CB GLU A 107 -4.909 -0.137 -11.007 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.190 1.121 -11.518 1.00 0.00 C ATOM 1308 CD GLU A 107 -4.089 1.199 -13.038 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -3.603 0.243 -13.678 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -4.442 2.247 -13.624 1.00 0.00 O ATOM 0 H GLU A 107 -5.710 -2.220 -10.000 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.968 -1.657 -12.149 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.832 -0.259 -11.574 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.193 0.029 -9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.717 2.003 -11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.186 1.151 -11.095 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.636 -1.345 -9.106 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.358 -1.300 -8.392 1.00 0.00 C ATOM 1319 C LEU A 108 -0.473 -2.486 -8.776 1.00 0.00 C ATOM 1320 O LEU A 108 0.713 -2.305 -9.046 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.573 -1.288 -6.870 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.220 -0.017 -6.296 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -2.535 -0.252 -4.819 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.326 1.211 -6.425 1.00 0.00 C ATOM 0 H LEU A 108 -3.448 -1.364 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.857 -0.377 -8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.195 -2.142 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.608 -1.433 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.125 0.181 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.995 0.642 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.222 -1.093 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.613 -0.473 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.835 2.078 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.394 1.040 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.109 1.394 -7.477 1.00 0.00 H new ATOM 1336 N SER A 109 -1.046 -3.687 -8.865 1.00 0.00 N ATOM 1337 CA SER A 109 -0.347 -4.885 -9.324 1.00 0.00 C ATOM 1338 C SER A 109 0.202 -4.671 -10.751 1.00 0.00 C ATOM 1339 O SER A 109 1.325 -5.061 -11.070 1.00 0.00 O ATOM 1340 CB SER A 109 -1.312 -6.081 -9.219 1.00 0.00 C ATOM 1341 OG SER A 109 -0.639 -7.310 -9.029 1.00 0.00 O ATOM 0 H SER A 109 -2.021 -3.856 -8.617 1.00 0.00 H new ATOM 0 HA SER A 109 0.520 -5.096 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.000 -5.916 -8.390 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.914 -6.138 -10.126 1.00 0.00 H new ATOM 0 HG SER A 109 -1.295 -8.036 -8.967 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.544 -3.995 -11.630 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.046 -3.611 -12.953 1.00 0.00 C ATOM 1349 C LYS A 110 0.958 -2.447 -12.892 1.00 0.00 C ATOM 1350 O LYS A 110 1.686 -2.234 -13.859 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.233 -3.293 -13.892 1.00 0.00 C ATOM 1352 CG LYS A 110 -1.646 -4.481 -14.778 1.00 0.00 C ATOM 1353 CD LYS A 110 -2.248 -5.698 -14.052 1.00 0.00 C ATOM 1354 CE LYS A 110 -3.757 -5.546 -13.819 1.00 0.00 C ATOM 1355 NZ LYS A 110 -4.338 -6.766 -13.218 1.00 0.00 N ATOM 0 H LYS A 110 -1.503 -3.701 -11.446 1.00 0.00 H new ATOM 0 HA LYS A 110 0.505 -4.459 -13.360 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.088 -2.982 -13.292 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.967 -2.449 -14.529 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.372 -4.126 -15.510 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.770 -4.814 -15.334 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.061 -6.598 -14.639 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.746 -5.832 -13.094 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.941 -4.694 -13.165 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.253 -5.334 -14.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.367 -6.649 -13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.139 -7.583 -13.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.918 -6.925 -12.280 1.00 0.00 H new ATOM 1369 N ASN A 111 1.052 -1.706 -11.787 1.00 0.00 N ATOM 1370 CA ASN A 111 1.794 -0.442 -11.676 1.00 0.00 C ATOM 1371 C ASN A 111 3.239 -0.616 -11.229 1.00 0.00 C ATOM 1372 O ASN A 111 3.873 0.335 -10.760 1.00 0.00 O ATOM 1373 CB ASN A 111 1.065 0.538 -10.732 1.00 0.00 C ATOM 1374 CG ASN A 111 1.072 1.968 -11.252 1.00 0.00 C ATOM 1375 OD1 ASN A 111 1.962 2.769 -10.983 1.00 0.00 O ATOM 1376 ND2 ASN A 111 0.046 2.323 -12.001 1.00 0.00 N ATOM 0 H ASN A 111 0.600 -1.975 -10.913 1.00 0.00 H new ATOM 0 HA ASN A 111 1.828 -0.030 -12.684 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.034 0.209 -10.599 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.538 0.510 -9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.015 3.274 -12.365 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.686 1.647 -12.216 1.00 0.00 H new ATOM 1383 N THR A 112 3.764 -1.827 -11.351 1.00 0.00 N ATOM 1384 CA THR A 112 5.045 -2.193 -10.762 1.00 0.00 C ATOM 1385 C THR A 112 5.869 -3.037 -11.741 1.00 0.00 C ATOM 1386 O THR A 112 5.312 -3.958 -12.344 1.00 0.00 O ATOM 1387 CB THR A 112 4.819 -2.917 -9.424 1.00 0.00 C ATOM 1388 OG1 THR A 112 3.825 -2.254 -8.661 1.00 0.00 O ATOM 1389 CG2 THR A 112 6.115 -2.910 -8.611 1.00 0.00 C ATOM 0 H THR A 112 3.313 -2.585 -11.862 1.00 0.00 H new ATOM 0 HA THR A 112 5.619 -1.289 -10.559 1.00 0.00 H new ATOM 0 HB THR A 112 4.502 -3.937 -9.640 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.942 -2.436 -9.045 1.00 0.00 H new ATOM 0 HG21 THR A 112 5.953 -3.423 -7.663 1.00 0.00 H new ATOM 0 HG22 THR A 112 6.899 -3.421 -9.171 1.00 0.00 H new ATOM 0 HG23 THR A 112 6.418 -1.881 -8.419 1.00 0.00 H new ATOM 1397 N PRO A 113 7.181 -2.768 -11.896 1.00 0.00 N ATOM 1398 CA PRO A 113 8.098 -3.627 -12.638 1.00 0.00 C ATOM 1399 C PRO A 113 8.409 -4.885 -11.811 1.00 0.00 C ATOM 1400 O PRO A 113 9.511 -5.050 -11.288 1.00 0.00 O ATOM 1401 CB PRO A 113 9.324 -2.744 -12.903 1.00 0.00 C ATOM 1402 CG PRO A 113 9.374 -1.850 -11.664 1.00 0.00 C ATOM 1403 CD PRO A 113 7.896 -1.600 -11.386 1.00 0.00 C ATOM 0 HA PRO A 113 7.696 -4.000 -13.580 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.233 -3.336 -13.011 1.00 0.00 H new ATOM 0 HB3 PRO A 113 9.212 -2.161 -13.817 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.868 -2.343 -10.826 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.915 -0.923 -11.853 1.00 0.00 H new ATOM 0 HD2 PRO A 113 7.717 -1.470 -10.319 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.556 -0.690 -11.879 1.00 0.00 H new ATOM 1411 N SER A 114 7.426 -5.773 -11.674 1.00 0.00 N ATOM 1412 CA SER A 114 7.438 -6.912 -10.763 1.00 0.00 C ATOM 1413 C SER A 114 7.691 -6.447 -9.318 1.00 0.00 C ATOM 1414 O SER A 114 6.768 -5.953 -8.680 1.00 0.00 O ATOM 1415 CB SER A 114 8.386 -8.007 -11.271 1.00 0.00 C ATOM 1416 OG SER A 114 8.122 -8.284 -12.635 1.00 0.00 O ATOM 0 H SER A 114 6.565 -5.715 -12.218 1.00 0.00 H new ATOM 0 HA SER A 114 6.455 -7.382 -10.742 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.421 -7.688 -11.150 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.260 -8.912 -10.677 1.00 0.00 H new ATOM 0 HG SER A 114 8.733 -8.982 -12.951 1.00 0.00 H new ATOM 1422 N ALA A 115 8.915 -6.540 -8.804 1.00 0.00 N ATOM 1423 CA ALA A 115 9.319 -5.957 -7.529 1.00 0.00 C ATOM 1424 C ALA A 115 10.700 -5.304 -7.666 1.00 0.00 C ATOM 1425 O ALA A 115 11.395 -5.108 -6.667 1.00 0.00 O ATOM 1426 CB ALA A 115 9.275 -7.031 -6.436 1.00 0.00 C ATOM 0 H ALA A 115 9.672 -7.036 -9.275 1.00 0.00 H new ATOM 0 HA ALA A 115 8.624 -5.169 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.577 -6.594 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.261 -7.422 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.956 -7.842 -6.695 1.00 0.00 H new ATOM 1432 N ALA A 116 11.131 -4.996 -8.893 1.00 0.00 N ATOM 1433 CA ALA A 116 12.376 -4.297 -9.130 1.00 0.00 C ATOM 1434 C ALA A 116 12.304 -2.938 -8.442 1.00 0.00 C ATOM 1435 O ALA A 116 11.271 -2.269 -8.481 1.00 0.00 O ATOM 1436 CB ALA A 116 12.610 -4.134 -10.636 1.00 0.00 C ATOM 0 H ALA A 116 10.619 -5.229 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 116 13.211 -4.867 -8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.549 -3.607 -10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.657 -5.117 -11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.791 -3.562 -11.072 1.00 0.00 H new ATOM 1442 N ASN A 117 13.422 -2.513 -7.855 1.00 0.00 N ATOM 1443 CA ASN A 117 13.595 -1.205 -7.230 1.00 0.00 C ATOM 1444 C ASN A 117 12.653 -0.967 -6.042 1.00 0.00 C ATOM 1445 O ASN A 117 12.461 0.186 -5.657 1.00 0.00 O ATOM 1446 CB ASN A 117 13.537 -0.069 -8.279 1.00 0.00 C ATOM 1447 CG ASN A 117 14.587 -0.193 -9.375 1.00 0.00 C ATOM 1448 OD1 ASN A 117 15.696 -0.680 -9.154 1.00 0.00 O ATOM 1449 ND2 ASN A 117 14.289 0.224 -10.591 1.00 0.00 N ATOM 0 H ASN A 117 14.261 -3.091 -7.800 1.00 0.00 H new ATOM 0 HA ASN A 117 14.596 -1.196 -6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.547 -0.059 -8.736 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.664 0.888 -7.773 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.976 0.142 -11.341 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.372 0.628 -10.781 1.00 0.00 H new ATOM 1456 N ILE A 118 12.064 -2.010 -5.434 1.00 0.00 N ATOM 1457 CA ILE A 118 11.088 -1.838 -4.351 1.00 0.00 C ATOM 1458 C ILE A 118 11.664 -1.042 -3.189 1.00 0.00 C ATOM 1459 O ILE A 118 10.998 -0.147 -2.673 1.00 0.00 O ATOM 1460 CB ILE A 118 10.478 -3.190 -3.917 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.982 -2.989 -3.584 1.00 0.00 C ATOM 1462 CG2 ILE A 118 11.235 -3.913 -2.788 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.194 -4.286 -3.372 1.00 0.00 C ATOM 0 H ILE A 118 12.249 -2.983 -5.677 1.00 0.00 H new ATOM 0 HA ILE A 118 10.263 -1.242 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 118 10.581 -3.869 -4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.903 -2.380 -2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.516 -2.425 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.731 -4.851 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 118 12.256 -4.120 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.255 -3.281 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.155 -4.047 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.237 -4.890 -4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.629 -4.845 -2.543 1.00 0.00 H new ATOM 1475 N SER A 119 12.909 -1.338 -2.813 1.00 0.00 N ATOM 1476 CA SER A 119 13.569 -0.567 -1.767 1.00 0.00 C ATOM 1477 C SER A 119 13.700 0.885 -2.185 1.00 0.00 C ATOM 1478 O SER A 119 13.454 1.747 -1.360 1.00 0.00 O ATOM 1479 CB SER A 119 14.922 -1.135 -1.331 1.00 0.00 C ATOM 1480 OG SER A 119 15.427 -0.426 -0.209 1.00 0.00 O ATOM 0 H SER A 119 13.469 -2.092 -3.210 1.00 0.00 H new ATOM 0 HA SER A 119 12.928 -0.638 -0.889 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.815 -2.191 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.631 -1.072 -2.156 1.00 0.00 H new ATOM 0 HG SER A 119 15.599 0.505 -0.461 1.00 0.00 H new ATOM 1486 N ALA A 120 14.042 1.174 -3.434 1.00 0.00 N ATOM 1487 CA ALA A 120 14.210 2.549 -3.888 1.00 0.00 C ATOM 1488 C ALA A 120 12.881 3.301 -3.778 1.00 0.00 C ATOM 1489 O ALA A 120 12.866 4.442 -3.312 1.00 0.00 O ATOM 1490 CB ALA A 120 14.763 2.610 -5.315 1.00 0.00 C ATOM 0 H ALA A 120 14.209 0.471 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 120 14.942 3.034 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.874 3.651 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.734 2.116 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.075 2.106 -5.994 1.00 0.00 H new ATOM 1496 N TYR A 121 11.772 2.662 -4.163 1.00 0.00 N ATOM 1497 CA TYR A 121 10.430 3.208 -4.034 1.00 0.00 C ATOM 1498 C TYR A 121 10.056 3.408 -2.552 1.00 0.00 C ATOM 1499 O TYR A 121 9.496 4.443 -2.191 1.00 0.00 O ATOM 1500 CB TYR A 121 9.436 2.276 -4.743 1.00 0.00 C ATOM 1501 CG TYR A 121 9.514 2.184 -6.261 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.277 3.322 -7.051 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.704 0.942 -6.898 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.208 3.222 -8.450 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.668 0.834 -8.298 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.400 1.974 -9.081 1.00 0.00 C ATOM 1507 OH TYR A 121 9.317 1.859 -10.434 1.00 0.00 O ATOM 0 H TYR A 121 11.789 1.732 -4.581 1.00 0.00 H new ATOM 0 HA TYR A 121 10.392 4.189 -4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.569 1.273 -4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.428 2.595 -4.477 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.147 4.284 -6.577 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.880 0.059 -6.301 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.008 4.101 -9.044 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.845 -0.120 -8.773 1.00 0.00 H new ATOM 0 HH TYR A 121 9.478 0.928 -10.694 1.00 0.00 H new ATOM 1517 N ALA A 122 10.371 2.451 -1.676 1.00 0.00 N ATOM 1518 CA ALA A 122 10.141 2.563 -0.237 1.00 0.00 C ATOM 1519 C ALA A 122 11.009 3.657 0.396 1.00 0.00 C ATOM 1520 O ALA A 122 10.537 4.419 1.231 1.00 0.00 O ATOM 1521 CB ALA A 122 10.394 1.205 0.421 1.00 0.00 C ATOM 0 H ALA A 122 10.798 1.567 -1.951 1.00 0.00 H new ATOM 0 HA ALA A 122 9.104 2.855 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.224 1.284 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.715 0.464 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.424 0.899 0.239 1.00 0.00 H new ATOM 1527 N ASP A 123 12.273 3.761 -0.001 1.00 0.00 N ATOM 1528 CA ASP A 123 13.218 4.763 0.475 1.00 0.00 C ATOM 1529 C ASP A 123 12.736 6.147 0.031 1.00 0.00 C ATOM 1530 O ASP A 123 12.833 7.105 0.798 1.00 0.00 O ATOM 1531 CB ASP A 123 14.647 4.455 -0.020 1.00 0.00 C ATOM 1532 CG ASP A 123 15.323 3.300 0.738 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.351 3.334 1.992 1.00 0.00 O ATOM 1534 OD2 ASP A 123 15.878 2.369 0.111 1.00 0.00 O ATOM 0 H ASP A 123 12.681 3.127 -0.688 1.00 0.00 H new ATOM 0 HA ASP A 123 13.261 4.744 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.610 4.210 -1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.259 5.352 0.080 1.00 0.00 H new ATOM 1539 N ILE A 124 12.140 6.252 -1.170 1.00 0.00 N ATOM 1540 CA ILE A 124 11.435 7.454 -1.604 1.00 0.00 C ATOM 1541 C ILE A 124 10.338 7.753 -0.590 1.00 0.00 C ATOM 1542 O ILE A 124 10.335 8.853 -0.044 1.00 0.00 O ATOM 1543 CB ILE A 124 10.905 7.345 -3.058 1.00 0.00 C ATOM 1544 CG1 ILE A 124 12.047 7.549 -4.067 1.00 0.00 C ATOM 1545 CG2 ILE A 124 9.795 8.373 -3.355 1.00 0.00 C ATOM 1546 CD1 ILE A 124 11.735 6.945 -5.444 1.00 0.00 C ATOM 0 H ILE A 124 12.138 5.502 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 124 12.131 8.293 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 124 10.486 6.344 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 124 12.242 8.616 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 124 12.958 7.098 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 124 9.457 8.256 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 124 8.957 8.210 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 124 10.185 9.381 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 124 12.575 7.118 -6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 124 11.568 5.873 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 124 10.840 7.414 -5.853 1.00 0.00 H new ATOM 1558 N VAL A 125 9.421 6.818 -0.338 1.00 0.00 N ATOM 1559 CA VAL A 125 8.310 7.021 0.584 1.00 0.00 C ATOM 1560 C VAL A 125 8.809 7.487 1.946 1.00 0.00 C ATOM 1561 O VAL A 125 8.309 8.500 2.432 1.00 0.00 O ATOM 1562 CB VAL A 125 7.470 5.739 0.685 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.524 5.717 1.895 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.606 5.586 -0.564 1.00 0.00 C ATOM 0 H VAL A 125 9.431 5.895 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 125 7.668 7.812 0.197 1.00 0.00 H new ATOM 0 HB VAL A 125 8.187 4.926 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.963 4.782 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 125 7.106 5.798 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.831 6.556 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.013 4.675 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 125 5.942 6.445 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.246 5.528 -1.444 1.00 0.00 H new ATOM 1574 N ARG A 126 9.728 6.766 2.592 1.00 0.00 N ATOM 1575 CA ARG A 126 10.138 7.101 3.953 1.00 0.00 C ATOM 1576 C ARG A 126 10.852 8.444 3.991 1.00 0.00 C ATOM 1577 O ARG A 126 10.620 9.224 4.913 1.00 0.00 O ATOM 1578 CB ARG A 126 10.981 5.972 4.557 1.00 0.00 C ATOM 1579 CG ARG A 126 11.088 6.061 6.095 1.00 0.00 C ATOM 1580 CD ARG A 126 12.436 6.590 6.593 1.00 0.00 C ATOM 1581 NE ARG A 126 13.515 5.645 6.276 1.00 0.00 N ATOM 1582 CZ ARG A 126 14.830 5.872 6.283 1.00 0.00 C ATOM 1583 NH1 ARG A 126 15.338 7.039 6.659 1.00 0.00 N ATOM 1584 NH2 ARG A 126 15.646 4.912 5.890 1.00 0.00 N ATOM 0 H ARG A 126 10.198 5.952 2.196 1.00 0.00 H new ATOM 0 HA ARG A 126 9.247 7.201 4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.544 5.012 4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.982 6.001 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.294 6.708 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.918 5.071 6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.645 7.556 6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.393 6.752 7.670 1.00 0.00 H new ATOM 0 HE ARG A 126 13.224 4.702 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.718 7.794 6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.348 7.181 6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.269 4.014 5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.654 5.068 5.889 1.00 0.00 H new ATOM 1598 N GLU A 127 11.669 8.773 2.988 1.00 0.00 N ATOM 1599 CA GLU A 127 12.258 10.102 2.921 1.00 0.00 C ATOM 1600 C GLU A 127 11.158 11.141 2.787 1.00 0.00 C ATOM 1601 O GLU A 127 11.100 12.104 3.543 1.00 0.00 O ATOM 1602 CB GLU A 127 13.222 10.207 1.738 1.00 0.00 C ATOM 1603 CG GLU A 127 14.022 11.512 1.831 1.00 0.00 C ATOM 1604 CD GLU A 127 15.106 11.597 0.762 1.00 0.00 C ATOM 1605 OE1 GLU A 127 14.805 12.091 -0.352 1.00 0.00 O ATOM 1606 OE2 GLU A 127 16.259 11.186 1.029 1.00 0.00 O ATOM 0 H GLU A 127 11.931 8.147 2.227 1.00 0.00 H new ATOM 0 HA GLU A 127 12.819 10.283 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.900 9.354 1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.666 10.177 0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 127 13.345 12.360 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.479 11.587 2.818 1.00 0.00 H new ATOM 1613 N ARG A 128 10.271 10.945 1.817 1.00 0.00 N ATOM 1614 CA ARG A 128 9.171 11.865 1.550 1.00 0.00 C ATOM 1615 C ARG A 128 8.209 11.945 2.735 1.00 0.00 C ATOM 1616 O ARG A 128 7.539 12.968 2.857 1.00 0.00 O ATOM 1617 CB ARG A 128 8.450 11.512 0.239 1.00 0.00 C ATOM 1618 CG ARG A 128 9.369 11.654 -0.985 1.00 0.00 C ATOM 1619 CD ARG A 128 9.590 13.108 -1.436 1.00 0.00 C ATOM 1620 NE ARG A 128 10.955 13.316 -1.951 1.00 0.00 N ATOM 1621 CZ ARG A 128 11.537 12.713 -2.995 1.00 0.00 C ATOM 1622 NH1 ARG A 128 10.834 11.934 -3.808 1.00 0.00 N ATOM 1623 NH2 ARG A 128 12.836 12.903 -3.187 1.00 0.00 N ATOM 0 H ARG A 128 10.295 10.140 1.191 1.00 0.00 H new ATOM 0 HA ARG A 128 9.595 12.861 1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 128 8.078 10.489 0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.583 12.161 0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 128 10.335 11.205 -0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 128 8.943 11.088 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.866 13.363 -2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.411 13.781 -0.597 1.00 0.00 H new ATOM 0 HE ARG A 128 11.524 14.001 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 128 9.838 11.789 -3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.290 11.480 -4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.365 13.496 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.306 12.456 -3.974 1.00 0.00 H new ATOM 1637 N ALA A 129 8.154 10.948 3.619 1.00 0.00 N ATOM 1638 CA ALA A 129 7.397 10.970 4.860 1.00 0.00 C ATOM 1639 C ALA A 129 8.073 11.903 5.858 1.00 0.00 C ATOM 1640 O ALA A 129 7.403 12.765 6.431 1.00 0.00 O ATOM 1641 CB ALA A 129 7.282 9.565 5.454 1.00 0.00 C ATOM 0 H ALA A 129 8.657 10.072 3.480 1.00 0.00 H new ATOM 0 HA ALA A 129 6.392 11.333 4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.711 9.608 6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.774 8.911 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.279 9.174 5.659 1.00 0.00 H new ATOM 1647 N VAL A 130 9.381 11.752 6.071 1.00 0.00 N ATOM 1648 CA VAL A 130 10.158 12.631 6.941 1.00 0.00 C ATOM 1649 C VAL A 130 10.070 14.065 6.408 1.00 0.00 C ATOM 1650 O VAL A 130 9.803 14.997 7.163 1.00 0.00 O ATOM 1651 CB VAL A 130 11.601 12.091 7.050 1.00 0.00 C ATOM 1652 CG1 VAL A 130 12.540 13.067 7.766 1.00 0.00 C ATOM 1653 CG2 VAL A 130 11.625 10.760 7.817 1.00 0.00 C ATOM 0 H VAL A 130 9.933 11.010 5.641 1.00 0.00 H new ATOM 0 HA VAL A 130 9.758 12.649 7.955 1.00 0.00 H new ATOM 0 HB VAL A 130 11.950 11.954 6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 130 13.541 12.639 7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 130 12.575 14.008 7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 130 12.173 13.250 8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 130 12.650 10.396 7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 130 11.229 10.911 8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.013 10.027 7.292 1.00 0.00 H new ATOM 1663 N VAL A 131 10.188 14.249 5.094 1.00 0.00 N ATOM 1664 CA VAL A 131 10.061 15.541 4.437 1.00 0.00 C ATOM 1665 C VAL A 131 8.642 16.079 4.627 1.00 0.00 C ATOM 1666 O VAL A 131 8.508 17.263 4.906 1.00 0.00 O ATOM 1667 CB VAL A 131 10.444 15.390 2.953 1.00 0.00 C ATOM 1668 CG1 VAL A 131 10.026 16.579 2.080 1.00 0.00 C ATOM 1669 CG2 VAL A 131 11.958 15.190 2.800 1.00 0.00 C ATOM 0 H VAL A 131 10.379 13.485 4.446 1.00 0.00 H new ATOM 0 HA VAL A 131 10.740 16.269 4.882 1.00 0.00 H new ATOM 0 HB VAL A 131 9.896 14.514 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 131 10.330 16.398 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 131 8.944 16.699 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 131 10.507 17.486 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 131 12.206 15.086 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 131 12.482 16.052 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 131 12.262 14.290 3.335 1.00 0.00 H new ATOM 1679 N ARG A 132 7.596 15.247 4.517 1.00 0.00 N ATOM 1680 CA ARG A 132 6.201 15.612 4.785 1.00 0.00 C ATOM 1681 C ARG A 132 6.000 16.052 6.232 1.00 0.00 C ATOM 1682 O ARG A 132 5.007 16.722 6.516 1.00 0.00 O ATOM 1683 CB ARG A 132 5.279 14.467 4.317 1.00 0.00 C ATOM 1684 CG ARG A 132 3.791 14.511 4.710 1.00 0.00 C ATOM 1685 CD ARG A 132 3.500 13.745 6.011 1.00 0.00 C ATOM 1686 NE ARG A 132 3.634 12.283 5.846 1.00 0.00 N ATOM 1687 CZ ARG A 132 3.569 11.372 6.828 1.00 0.00 C ATOM 1688 NH1 ARG A 132 3.463 11.757 8.099 1.00 0.00 N ATOM 1689 NH2 ARG A 132 3.608 10.079 6.528 1.00 0.00 N ATOM 0 H ARG A 132 7.703 14.274 4.231 1.00 0.00 H new ATOM 0 HA ARG A 132 5.923 16.492 4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.333 14.422 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 132 5.694 13.533 4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 132 3.480 15.549 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 132 3.193 14.088 3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.183 14.084 6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.490 13.979 6.349 1.00 0.00 H new ATOM 0 HE ARG A 132 3.790 11.935 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.431 12.750 8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 132 3.414 11.059 8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 132 3.687 9.783 5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 132 3.559 9.381 7.271 1.00 0.00 H new ATOM 1703 N GLU A 133 6.911 15.730 7.144 1.00 0.00 N ATOM 1704 CA GLU A 133 6.926 16.303 8.478 1.00 0.00 C ATOM 1705 C GLU A 133 7.634 17.668 8.401 1.00 0.00 C ATOM 1706 O GLU A 133 7.047 18.698 8.735 1.00 0.00 O ATOM 1707 CB GLU A 133 7.460 15.288 9.497 1.00 0.00 C ATOM 1708 CG GLU A 133 8.613 15.701 10.422 1.00 0.00 C ATOM 1709 CD GLU A 133 8.265 16.937 11.252 1.00 0.00 C ATOM 1710 OE1 GLU A 133 7.131 17.007 11.796 1.00 0.00 O ATOM 1711 OE2 GLU A 133 9.110 17.855 11.307 1.00 0.00 O ATOM 0 H GLU A 133 7.662 15.061 6.974 1.00 0.00 H new ATOM 0 HA GLU A 133 5.927 16.515 8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 133 6.625 14.984 10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.781 14.405 8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 133 8.858 14.874 11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.502 15.903 9.825 1.00 0.00 H new ATOM 1718 N MET A 134 8.863 17.674 7.887 1.00 0.00 N ATOM 1719 CA MET A 134 9.868 18.738 7.870 1.00 0.00 C ATOM 1720 C MET A 134 9.556 19.878 6.873 1.00 0.00 C ATOM 1721 O MET A 134 10.461 20.537 6.353 1.00 0.00 O ATOM 1722 CB MET A 134 11.186 18.016 7.537 1.00 0.00 C ATOM 1723 CG MET A 134 12.464 18.735 7.961 1.00 0.00 C ATOM 1724 SD MET A 134 13.965 17.787 7.586 1.00 0.00 S ATOM 1725 CE MET A 134 13.784 16.366 8.704 1.00 0.00 C ATOM 0 H MET A 134 9.219 16.840 7.420 1.00 0.00 H new ATOM 0 HA MET A 134 9.904 19.256 8.829 1.00 0.00 H new ATOM 0 HB2 MET A 134 11.170 17.034 8.010 1.00 0.00 H new ATOM 0 HB3 MET A 134 11.225 17.850 6.460 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.515 19.701 7.458 1.00 0.00 H new ATOM 0 HG3 MET A 134 12.424 18.935 9.032 1.00 0.00 H new ATOM 0 HE1 MET A 134 14.677 15.743 8.648 1.00 0.00 H new ATOM 0 HE2 MET A 134 13.653 16.722 9.726 1.00 0.00 H new ATOM 0 HE3 MET A 134 12.913 15.780 8.409 1.00 0.00 H new ATOM 1735 N ILE A 135 8.281 20.087 6.557 1.00 0.00 N ATOM 1736 CA ILE A 135 7.786 20.970 5.507 1.00 0.00 C ATOM 1737 C ILE A 135 8.048 22.442 5.838 1.00 0.00 C ATOM 1738 O ILE A 135 7.982 22.842 7.005 1.00 0.00 O ATOM 1739 CB ILE A 135 6.284 20.649 5.312 1.00 0.00 C ATOM 1740 CG1 ILE A 135 6.081 19.273 4.664 1.00 0.00 C ATOM 1741 CG2 ILE A 135 5.493 21.692 4.522 1.00 0.00 C ATOM 1742 CD1 ILE A 135 6.706 19.107 3.266 1.00 0.00 C ATOM 0 H ILE A 135 7.524 19.618 7.055 1.00 0.00 H new ATOM 0 HA ILE A 135 8.317 20.798 4.571 1.00 0.00 H new ATOM 0 HB ILE A 135 5.884 20.658 6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 135 6.500 18.513 5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 135 5.011 19.078 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.453 21.375 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 135 5.541 22.652 5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 135 5.920 21.794 3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 135 6.507 18.101 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 135 6.271 19.838 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 135 7.783 19.264 3.328 1.00 0.00 H new ATOM 1754 N SER A 136 8.253 23.249 4.794 1.00 0.00 N ATOM 1755 CA SER A 136 8.313 24.711 4.808 1.00 0.00 C ATOM 1756 C SER A 136 7.276 25.270 3.837 1.00 0.00 C ATOM 1757 O SER A 136 7.274 26.490 3.572 1.00 0.00 O ATOM 1758 CB SER A 136 9.724 25.169 4.413 1.00 0.00 C ATOM 1759 OG SER A 136 10.711 24.573 5.237 1.00 0.00 O ATOM 1760 OXT SER A 136 6.475 24.491 3.276 1.00 0.00 O ATOM 0 H SER A 136 8.390 22.873 3.856 1.00 0.00 H new ATOM 0 HA SER A 136 8.093 25.082 5.809 1.00 0.00 H new ATOM 0 HB2 SER A 136 9.914 24.911 3.371 1.00 0.00 H new ATOM 0 HB3 SER A 136 9.791 26.254 4.490 1.00 0.00 H new ATOM 0 HG SER A 136 11.599 24.882 4.960 1.00 0.00 H new TER 1766 SER A 136