USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 772 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 29 SER OG : rot 180:sc= -0.267 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.928! C(o=-1.2!,f=-5.7!) USER MOD Set 2.1: A 84 SER OG : rot 155:sc= -0.095 USER MOD Set 2.2: A 87 THR OG1 : rot -89:sc= -0.531! USER MOD Set 3.1: A 79 GLN : amide:sc= 0.795 X(o=1.5,f=1.7) USER MOD Set 3.2: A 80 TYR OH : rot 15:sc= 0.68 USER MOD Set 4.1: A 59 TYR OH : rot 169:sc= -5.59! USER MOD Set 4.2: A 110 THR OG1 : rot 79:sc= 0.595 USER MOD Single : A 15 GLN : amide:sc= -0.922 X(o=-0.92,f=-0.89) USER MOD Single : A 18 ASN : amide:sc= 0.189 K(o=0.19,f=-4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -104:sc= 0.586 USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= -0.157 (180deg=-0.804) USER MOD Single : A 34 MET CE :methyl -115:sc= -1.77! (180deg=-6.37!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 110:sc= -0.183 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.519 K(o=-0.52,f=-3.9!) USER MOD Single : A 70 THR OG1 : rot -80:sc= -0.821 USER MOD Single : A 78 THR OG1 : rot 63:sc= 0.378 USER MOD Single : A 81 ASN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 0.17 (180deg=0.152) USER MOD Single : A 99 SER OG : rot 180:sc= -0.384 USER MOD Single : A 106 LYS NZ :NH3+ -177:sc= 0.755 (180deg=0.728) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 108 THR OG1 : rot -150:sc= 0.017 USER MOD Single : A 112 SER OG : rot 133:sc= 0.183 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 171:sc= -1.94! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -4.000 -4.412 -9.635 1.00 0.00 N ATOM 2 CA VAL A 14 -5.189 -3.531 -9.522 1.00 0.00 C ATOM 3 C VAL A 14 -5.389 -2.402 -10.554 1.00 0.00 C ATOM 4 O VAL A 14 -6.530 -2.138 -10.940 1.00 0.00 O ATOM 5 CB VAL A 14 -5.323 -3.034 -8.067 1.00 0.00 C ATOM 6 CG1 VAL A 14 -4.474 -1.810 -7.703 1.00 0.00 C ATOM 7 CG2 VAL A 14 -6.812 -2.820 -7.750 1.00 0.00 C ATOM 0 HA VAL A 14 -6.017 -4.183 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.906 -3.816 -7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.645 -1.546 -6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.419 -2.042 -7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.754 -0.971 -8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.919 -2.469 -6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.226 -2.078 -8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.348 -3.762 -7.869 1.00 0.00 H new ATOM 17 N GLN A 15 -4.333 -1.650 -10.805 1.00 0.00 N ATOM 18 CA GLN A 15 -4.311 -0.395 -11.593 1.00 0.00 C ATOM 19 C GLN A 15 -4.956 0.826 -10.975 1.00 0.00 C ATOM 20 O GLN A 15 -4.621 1.954 -11.345 1.00 0.00 O ATOM 21 CB GLN A 15 -4.809 -0.543 -13.011 1.00 0.00 C ATOM 22 CG GLN A 15 -3.569 -1.079 -13.630 1.00 0.00 C ATOM 23 CD GLN A 15 -3.494 -2.584 -13.484 1.00 0.00 C ATOM 24 OE1 GLN A 15 -3.146 -3.491 -12.741 1.00 0.00 O ATOM 25 NE2 GLN A 15 -2.482 -2.502 -14.159 1.00 0.00 N ATOM 0 H GLN A 15 -3.408 -1.897 -10.453 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.238 -0.203 -11.595 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.652 -1.229 -13.093 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.124 0.404 -13.449 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.541 -0.811 -14.686 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.698 -0.621 -13.162 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.424 -1.814 -14.910 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.693 -3.121 -13.973 1.00 0.00 H new ATOM 34 N ASP A 16 -5.928 0.536 -10.134 1.00 0.00 N ATOM 35 CA ASP A 16 -6.602 1.520 -9.272 1.00 0.00 C ATOM 36 C ASP A 16 -7.503 0.822 -8.257 1.00 0.00 C ATOM 37 O ASP A 16 -8.443 0.124 -8.618 1.00 0.00 O ATOM 38 CB ASP A 16 -7.392 2.567 -10.083 1.00 0.00 C ATOM 39 CG ASP A 16 -8.602 2.042 -10.858 1.00 0.00 C ATOM 40 OD1 ASP A 16 -8.404 1.183 -11.750 1.00 0.00 O ATOM 41 OD2 ASP A 16 -9.712 2.527 -10.552 1.00 0.00 O ATOM 0 H ASP A 16 -6.289 -0.411 -10.019 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.824 2.060 -8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.733 3.345 -9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.710 3.040 -10.790 1.00 0.00 H new ATOM 47 N VAL A 17 -7.135 0.941 -6.983 1.00 0.00 N ATOM 48 CA VAL A 17 -8.009 0.348 -5.952 1.00 0.00 C ATOM 49 C VAL A 17 -9.073 1.374 -5.545 1.00 0.00 C ATOM 50 O VAL A 17 -8.776 2.539 -5.275 1.00 0.00 O ATOM 51 CB VAL A 17 -7.337 -0.160 -4.676 1.00 0.00 C ATOM 52 CG1 VAL A 17 -8.227 -1.235 -4.051 1.00 0.00 C ATOM 53 CG2 VAL A 17 -5.933 -0.758 -4.835 1.00 0.00 C ATOM 0 H VAL A 17 -6.294 1.410 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.415 -0.541 -6.435 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.213 0.729 -4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.761 -1.608 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.201 -0.808 -3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.354 -2.057 -4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.563 -1.082 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.976 -1.613 -5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.261 -0.005 -5.246 1.00 0.00 H new ATOM 63 N ASN A 18 -10.300 0.886 -5.610 1.00 0.00 N ATOM 64 CA ASN A 18 -11.515 1.573 -5.134 1.00 0.00 C ATOM 65 C ASN A 18 -12.296 0.538 -4.313 1.00 0.00 C ATOM 66 O ASN A 18 -11.950 -0.643 -4.282 1.00 0.00 O ATOM 67 CB ASN A 18 -12.313 2.128 -6.321 1.00 0.00 C ATOM 68 CG ASN A 18 -12.723 1.072 -7.352 1.00 0.00 C ATOM 69 OD1 ASN A 18 -13.501 0.163 -7.073 1.00 0.00 O ATOM 70 ND2 ASN A 18 -12.158 1.146 -8.534 1.00 0.00 N ATOM 0 H ASN A 18 -10.498 -0.032 -6.008 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.287 2.438 -4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.210 2.618 -5.943 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.717 2.893 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.362 0.440 -9.242 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.515 1.909 -8.745 1.00 0.00 H new ATOM 77 N ASP A 19 -13.451 0.957 -3.801 1.00 0.00 N ATOM 78 CA ASP A 19 -14.304 0.107 -2.960 1.00 0.00 C ATOM 79 C ASP A 19 -14.660 -1.265 -3.517 1.00 0.00 C ATOM 80 O ASP A 19 -14.531 -2.270 -2.816 1.00 0.00 O ATOM 81 CB ASP A 19 -15.609 0.864 -2.709 1.00 0.00 C ATOM 82 CG ASP A 19 -15.536 1.580 -1.372 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.843 0.905 -0.369 1.00 0.00 O ATOM 84 OD2 ASP A 19 -15.145 2.765 -1.383 1.00 0.00 O ATOM 0 H ASP A 19 -13.825 1.893 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.718 -0.093 -2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.783 1.584 -3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.450 0.171 -2.716 1.00 0.00 H new ATOM 90 N SER A 20 -15.008 -1.286 -4.803 1.00 0.00 N ATOM 91 CA SER A 20 -15.403 -2.529 -5.480 1.00 0.00 C ATOM 92 C SER A 20 -14.203 -3.436 -5.714 1.00 0.00 C ATOM 93 O SER A 20 -14.240 -4.613 -5.345 1.00 0.00 O ATOM 94 CB SER A 20 -15.947 -2.277 -6.878 1.00 0.00 C ATOM 95 OG SER A 20 -16.842 -1.180 -6.852 1.00 0.00 O ATOM 0 H SER A 20 -15.026 -0.459 -5.400 1.00 0.00 H new ATOM 0 HA SER A 20 -16.152 -2.974 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.127 -2.073 -7.566 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.458 -3.167 -7.246 1.00 0.00 H new ATOM 0 HG SER A 20 -17.189 -1.019 -7.754 1.00 0.00 H new ATOM 101 N SER A 21 -13.130 -2.889 -6.298 1.00 0.00 N ATOM 102 CA SER A 21 -11.916 -3.685 -6.524 1.00 0.00 C ATOM 103 C SER A 21 -11.244 -4.181 -5.241 1.00 0.00 C ATOM 104 O SER A 21 -10.682 -5.259 -5.259 1.00 0.00 O ATOM 105 CB SER A 21 -10.878 -3.022 -7.412 1.00 0.00 C ATOM 106 OG SER A 21 -10.544 -1.710 -6.960 1.00 0.00 O ATOM 0 H SER A 21 -13.075 -1.922 -6.616 1.00 0.00 H new ATOM 0 HA SER A 21 -12.307 -4.549 -7.061 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.978 -3.636 -7.438 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.256 -2.968 -8.433 1.00 0.00 H new ATOM 0 HG SER A 21 -10.976 -1.046 -7.536 1.00 0.00 H new ATOM 112 N TRP A 22 -11.444 -3.480 -4.128 1.00 0.00 N ATOM 113 CA TRP A 22 -10.900 -3.860 -2.818 1.00 0.00 C ATOM 114 C TRP A 22 -11.295 -5.294 -2.420 1.00 0.00 C ATOM 115 O TRP A 22 -10.434 -6.150 -2.230 1.00 0.00 O ATOM 116 CB TRP A 22 -11.424 -2.830 -1.827 1.00 0.00 C ATOM 117 CG TRP A 22 -10.824 -3.025 -0.443 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.365 -3.739 0.530 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.612 -2.518 0.018 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.561 -3.741 1.593 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.477 -3.013 1.327 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.619 -1.697 -0.541 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.335 -2.716 2.096 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.477 -1.407 0.212 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.335 -1.913 1.526 1.00 0.00 C ATOM 0 H TRP A 22 -11.994 -2.621 -4.105 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.810 -3.865 -2.837 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.191 -1.828 -2.187 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.510 -2.903 -1.766 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.317 -4.245 0.472 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.746 -4.224 2.472 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.736 -1.296 -1.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.231 -3.097 3.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.697 -0.792 -0.213 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.448 -1.679 2.096 1.00 0.00 H new ATOM 136 N LYS A 23 -12.582 -5.594 -2.580 1.00 0.00 N ATOM 137 CA LYS A 23 -13.099 -6.907 -2.176 1.00 0.00 C ATOM 138 C LYS A 23 -12.621 -8.077 -3.029 1.00 0.00 C ATOM 139 O LYS A 23 -12.099 -9.050 -2.493 1.00 0.00 O ATOM 140 CB LYS A 23 -14.610 -6.854 -2.015 1.00 0.00 C ATOM 141 CG LYS A 23 -14.837 -6.021 -0.764 1.00 0.00 C ATOM 142 CD LYS A 23 -16.295 -5.626 -0.598 1.00 0.00 C ATOM 143 CE LYS A 23 -16.397 -4.669 0.584 1.00 0.00 C ATOM 144 NZ LYS A 23 -15.723 -3.395 0.247 1.00 0.00 N ATOM 0 H LYS A 23 -13.277 -4.962 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.661 -7.124 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.085 -6.400 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.032 -7.853 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.513 -6.585 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.221 -5.123 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.666 -5.150 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.911 -6.509 -0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.443 -4.486 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.937 -5.114 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.161 -2.618 0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.715 -3.460 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.819 -3.211 -0.772 1.00 0.00 H new ATOM 158 N GLU A 24 -12.477 -7.798 -4.322 1.00 0.00 N ATOM 159 CA GLU A 24 -11.981 -8.807 -5.265 1.00 0.00 C ATOM 160 C GLU A 24 -10.447 -8.860 -5.357 1.00 0.00 C ATOM 161 O GLU A 24 -9.935 -9.958 -5.409 1.00 0.00 O ATOM 162 CB GLU A 24 -12.623 -8.653 -6.638 1.00 0.00 C ATOM 163 CG GLU A 24 -12.231 -7.345 -7.321 1.00 0.00 C ATOM 164 CD GLU A 24 -12.901 -7.191 -8.694 1.00 0.00 C ATOM 165 OE1 GLU A 24 -12.737 -8.076 -9.554 1.00 0.00 O ATOM 166 OE2 GLU A 24 -13.649 -6.207 -8.821 1.00 0.00 O ATOM 0 H GLU A 24 -12.693 -6.893 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.286 -9.771 -4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.329 -9.492 -7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.707 -8.695 -6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.511 -6.505 -6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.148 -7.308 -7.440 1.00 0.00 H new ATOM 174 N PHE A 25 -9.724 -7.746 -5.372 1.00 0.00 N ATOM 175 CA PHE A 25 -8.239 -7.803 -5.442 1.00 0.00 C ATOM 176 C PHE A 25 -7.521 -7.967 -4.124 1.00 0.00 C ATOM 177 O PHE A 25 -6.869 -8.974 -3.845 1.00 0.00 O ATOM 178 CB PHE A 25 -7.664 -6.596 -6.179 1.00 0.00 C ATOM 179 CG PHE A 25 -7.873 -6.718 -7.681 1.00 0.00 C ATOM 180 CD1 PHE A 25 -6.974 -7.500 -8.440 1.00 0.00 C ATOM 181 CD2 PHE A 25 -8.918 -5.996 -8.296 1.00 0.00 C ATOM 182 CE1 PHE A 25 -7.118 -7.545 -9.838 1.00 0.00 C ATOM 183 CE2 PHE A 25 -9.062 -6.040 -9.694 1.00 0.00 C ATOM 184 CZ PHE A 25 -8.156 -6.811 -10.458 1.00 0.00 C ATOM 0 H PHE A 25 -10.115 -6.805 -5.338 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.053 -8.721 -5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.139 -5.685 -5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.599 -6.508 -5.963 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.187 -8.056 -7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.602 -5.414 -7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.440 -8.137 -10.435 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -9.856 -5.491 -10.179 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.258 -6.840 -11.533 1.00 0.00 H new ATOM 194 N VAL A 26 -7.931 -7.114 -3.195 1.00 0.00 N ATOM 195 CA VAL A 26 -7.251 -7.012 -1.891 1.00 0.00 C ATOM 196 C VAL A 26 -7.746 -8.124 -0.971 1.00 0.00 C ATOM 197 O VAL A 26 -6.949 -8.857 -0.380 1.00 0.00 O ATOM 198 CB VAL A 26 -7.445 -5.620 -1.286 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.821 -5.489 0.106 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.851 -4.573 -2.236 1.00 0.00 C ATOM 0 H VAL A 26 -8.724 -6.483 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.177 -7.143 -2.025 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.516 -5.456 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.989 -4.482 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.280 -6.213 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.750 -5.679 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.986 -3.578 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.787 -4.768 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.357 -4.627 -3.200 1.00 0.00 H new ATOM 210 N LEU A 27 -9.059 -8.302 -0.976 1.00 0.00 N ATOM 211 CA LEU A 27 -9.656 -9.353 -0.157 1.00 0.00 C ATOM 212 C LEU A 27 -9.754 -10.705 -0.872 1.00 0.00 C ATOM 213 O LEU A 27 -10.064 -11.708 -0.229 1.00 0.00 O ATOM 214 CB LEU A 27 -10.994 -8.911 0.455 1.00 0.00 C ATOM 215 CG LEU A 27 -10.894 -7.588 1.245 1.00 0.00 C ATOM 216 CD1 LEU A 27 -12.281 -7.282 1.823 1.00 0.00 C ATOM 217 CD2 LEU A 27 -9.876 -7.622 2.389 1.00 0.00 C ATOM 0 H LEU A 27 -9.719 -7.749 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.965 -9.518 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.730 -8.797 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.360 -9.695 1.117 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.550 -6.820 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.242 -6.351 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.000 -7.184 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.588 -8.094 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.865 -6.657 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.153 -8.401 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.885 -7.833 1.988 1.00 0.00 H new ATOM 229 N GLU A 28 -9.366 -10.741 -2.161 1.00 0.00 N ATOM 230 CA GLU A 28 -9.324 -11.992 -2.935 1.00 0.00 C ATOM 231 C GLU A 28 -8.470 -12.003 -4.210 1.00 0.00 C ATOM 232 O GLU A 28 -8.954 -12.215 -5.316 1.00 0.00 O ATOM 233 CB GLU A 28 -10.746 -12.478 -3.238 1.00 0.00 C ATOM 234 CG GLU A 28 -11.002 -13.784 -2.487 1.00 0.00 C ATOM 235 CD GLU A 28 -10.208 -14.964 -3.050 1.00 0.00 C ATOM 236 OE1 GLU A 28 -10.878 -15.711 -3.784 1.00 0.00 O ATOM 237 OE2 GLU A 28 -9.032 -15.134 -2.643 1.00 0.00 O ATOM 0 H GLU A 28 -9.077 -9.916 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.799 -12.683 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.473 -11.723 -2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.870 -12.631 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.745 -13.649 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.066 -14.017 -2.527 1.00 0.00 H new ATOM 245 N SER A 29 -7.158 -12.038 -4.029 1.00 0.00 N ATOM 246 CA SER A 29 -6.242 -12.276 -5.173 1.00 0.00 C ATOM 247 C SER A 29 -5.661 -13.692 -5.149 1.00 0.00 C ATOM 248 O SER A 29 -4.923 -14.103 -6.031 1.00 0.00 O ATOM 249 CB SER A 29 -5.114 -11.240 -5.128 1.00 0.00 C ATOM 250 OG SER A 29 -4.524 -11.296 -3.823 1.00 0.00 O ATOM 0 H SER A 29 -6.696 -11.910 -3.129 1.00 0.00 H new ATOM 0 HA SER A 29 -6.808 -12.175 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.369 -11.452 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.503 -10.242 -5.330 1.00 0.00 H new ATOM 0 HG SER A 29 -3.796 -10.643 -3.765 1.00 0.00 H new ATOM 256 N GLU A 30 -5.967 -14.339 -4.026 1.00 0.00 N ATOM 257 CA GLU A 30 -5.534 -15.677 -3.554 1.00 0.00 C ATOM 258 C GLU A 30 -4.177 -15.693 -2.839 1.00 0.00 C ATOM 259 O GLU A 30 -3.934 -16.560 -2.012 1.00 0.00 O ATOM 260 CB GLU A 30 -5.542 -16.766 -4.626 1.00 0.00 C ATOM 261 CG GLU A 30 -6.901 -17.455 -4.727 1.00 0.00 C ATOM 262 CD GLU A 30 -7.817 -16.623 -5.593 1.00 0.00 C ATOM 263 OE1 GLU A 30 -8.830 -16.171 -5.053 1.00 0.00 O ATOM 264 OE2 GLU A 30 -7.543 -16.474 -6.805 1.00 0.00 O ATOM 0 H GLU A 30 -6.589 -13.904 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.309 -15.913 -2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.284 -16.328 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.776 -17.506 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.786 -18.452 -5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.334 -17.580 -3.734 1.00 0.00 H new ATOM 272 N VAL A 31 -3.532 -14.530 -2.869 1.00 0.00 N ATOM 273 CA VAL A 31 -2.160 -14.311 -2.340 1.00 0.00 C ATOM 274 C VAL A 31 -2.179 -13.264 -1.199 1.00 0.00 C ATOM 275 O VAL A 31 -3.045 -12.386 -1.247 1.00 0.00 O ATOM 276 CB VAL A 31 -1.231 -13.848 -3.485 1.00 0.00 C ATOM 277 CG1 VAL A 31 -1.133 -14.910 -4.589 1.00 0.00 C ATOM 278 CG2 VAL A 31 -1.645 -12.518 -4.123 1.00 0.00 C ATOM 0 H VAL A 31 -3.945 -13.686 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.782 -15.249 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.261 -13.700 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.472 -14.553 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.733 -15.834 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.124 -15.098 -5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.944 -12.262 -4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.648 -12.611 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.638 -11.734 -3.366 1.00 0.00 H new ATOM 288 N PRO A 32 -1.242 -13.266 -0.232 1.00 0.00 N ATOM 289 CA PRO A 32 -1.144 -12.188 0.761 1.00 0.00 C ATOM 290 C PRO A 32 -1.001 -10.819 0.073 1.00 0.00 C ATOM 291 O PRO A 32 -0.477 -10.712 -1.030 1.00 0.00 O ATOM 292 CB PRO A 32 0.084 -12.520 1.605 1.00 0.00 C ATOM 293 CG PRO A 32 0.169 -14.044 1.506 1.00 0.00 C ATOM 294 CD PRO A 32 -0.285 -14.349 0.075 1.00 0.00 C ATOM 0 HA PRO A 32 -2.041 -12.121 1.377 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.982 -12.040 1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.034 -12.189 2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.183 -14.400 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.475 -14.528 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.555 -14.349 -0.619 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.756 -15.330 0.005 1.00 0.00 H new ATOM 302 N VAL A 33 -1.538 -9.787 0.716 1.00 0.00 N ATOM 303 CA VAL A 33 -1.683 -8.450 0.121 1.00 0.00 C ATOM 304 C VAL A 33 -1.065 -7.320 0.946 1.00 0.00 C ATOM 305 O VAL A 33 -1.220 -7.235 2.166 1.00 0.00 O ATOM 306 CB VAL A 33 -3.196 -8.214 -0.121 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.558 -6.791 -0.542 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.763 -9.185 -1.155 1.00 0.00 C ATOM 0 H VAL A 33 -1.889 -9.849 1.672 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.122 -8.428 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.647 -8.390 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.636 -6.718 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.250 -6.092 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.047 -6.546 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.826 -8.987 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.240 -9.054 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.628 -10.209 -0.805 1.00 0.00 H new ATOM 318 N MET A 34 -0.522 -6.382 0.177 1.00 0.00 N ATOM 319 CA MET A 34 -0.082 -5.076 0.680 1.00 0.00 C ATOM 320 C MET A 34 -0.814 -3.966 -0.071 1.00 0.00 C ATOM 321 O MET A 34 -0.907 -3.956 -1.299 1.00 0.00 O ATOM 322 CB MET A 34 1.412 -4.908 0.454 1.00 0.00 C ATOM 323 CG MET A 34 1.886 -3.659 1.190 1.00 0.00 C ATOM 324 SD MET A 34 3.676 -3.346 0.996 1.00 0.00 S ATOM 325 CE MET A 34 4.268 -4.590 2.125 1.00 0.00 C ATOM 0 H MET A 34 -0.371 -6.504 -0.824 1.00 0.00 H new ATOM 0 HA MET A 34 -0.303 -5.019 1.746 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.949 -5.785 0.816 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.625 -4.821 -0.612 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.331 -2.796 0.823 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.654 -3.760 2.250 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.766 -4.110 2.967 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.427 -5.181 2.489 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.974 -5.242 1.610 1.00 0.00 H new ATOM 335 N VAL A 35 -1.262 -3.008 0.723 1.00 0.00 N ATOM 336 CA VAL A 35 -1.949 -1.808 0.234 1.00 0.00 C ATOM 337 C VAL A 35 -1.274 -0.534 0.748 1.00 0.00 C ATOM 338 O VAL A 35 -1.241 -0.280 1.949 1.00 0.00 O ATOM 339 CB VAL A 35 -3.427 -1.862 0.599 1.00 0.00 C ATOM 340 CG1 VAL A 35 -4.177 -2.788 -0.345 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.687 -2.235 2.061 1.00 0.00 C ATOM 0 H VAL A 35 -1.161 -3.035 1.738 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.876 -1.783 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.808 -0.848 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.231 -2.814 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.079 -2.423 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.760 -3.793 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.761 -2.253 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.266 -3.220 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.219 -1.498 2.713 1.00 0.00 H new ATOM 351 N ASP A 36 -0.754 0.211 -0.206 1.00 0.00 N ATOM 352 CA ASP A 36 0.029 1.447 0.014 1.00 0.00 C ATOM 353 C ASP A 36 -0.730 2.647 0.611 1.00 0.00 C ATOM 354 O ASP A 36 -0.301 3.231 1.604 1.00 0.00 O ATOM 355 CB ASP A 36 0.680 1.822 -1.328 1.00 0.00 C ATOM 356 CG ASP A 36 1.408 3.168 -1.332 1.00 0.00 C ATOM 357 OD1 ASP A 36 2.629 3.179 -1.075 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.720 4.158 -1.678 1.00 0.00 O ATOM 0 H ASP A 36 -0.859 -0.020 -1.194 1.00 0.00 H new ATOM 0 HA ASP A 36 0.761 1.218 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.388 1.041 -1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.091 1.839 -2.098 1.00 0.00 H new ATOM 364 N PHE A 37 -1.862 2.945 -0.022 1.00 0.00 N ATOM 365 CA PHE A 37 -2.713 4.142 0.167 1.00 0.00 C ATOM 366 C PHE A 37 -1.991 5.441 -0.227 1.00 0.00 C ATOM 367 O PHE A 37 -1.071 5.892 0.465 1.00 0.00 O ATOM 368 CB PHE A 37 -3.255 4.330 1.587 1.00 0.00 C ATOM 369 CG PHE A 37 -4.290 3.296 2.007 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.066 1.898 1.864 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.517 3.771 2.508 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.090 0.996 2.200 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.541 2.869 2.844 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.332 1.487 2.675 1.00 0.00 C ATOM 0 H PHE A 37 -2.245 2.321 -0.732 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.556 3.948 -0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.421 4.297 2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.698 5.323 1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.117 1.533 1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.672 4.832 2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.931 -0.067 2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.482 3.233 3.229 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.126 0.794 2.910 1.00 0.00 H new ATOM 384 N TRP A 38 -2.448 6.012 -1.331 1.00 0.00 N ATOM 385 CA TRP A 38 -1.926 7.289 -1.826 1.00 0.00 C ATOM 386 C TRP A 38 -3.052 8.324 -1.738 1.00 0.00 C ATOM 387 O TRP A 38 -4.225 7.976 -1.872 1.00 0.00 O ATOM 388 CB TRP A 38 -1.376 7.129 -3.253 1.00 0.00 C ATOM 389 CG TRP A 38 -2.454 6.931 -4.325 1.00 0.00 C ATOM 390 CD1 TRP A 38 -3.084 5.801 -4.613 1.00 0.00 C ATOM 391 CD2 TRP A 38 -2.989 7.916 -5.144 1.00 0.00 C ATOM 392 NE1 TRP A 38 -3.953 5.999 -5.604 1.00 0.00 N ATOM 393 CE2 TRP A 38 -3.958 7.283 -5.931 1.00 0.00 C ATOM 394 CE3 TRP A 38 -2.855 9.323 -5.167 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -4.843 8.033 -6.743 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -3.733 10.064 -5.950 1.00 0.00 C ATOM 397 CH2 TRP A 38 -4.731 9.436 -6.745 1.00 0.00 C ATOM 0 H TRP A 38 -3.186 5.611 -1.910 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.089 7.631 -1.218 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.788 8.012 -3.504 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.697 6.276 -3.275 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.917 4.856 -4.117 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.524 5.276 -6.042 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.086 9.813 -4.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.588 7.539 -7.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.655 11.141 -5.955 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.400 10.033 -7.347 1.00 0.00 H new ATOM 408 N ALA A 39 -2.677 9.596 -1.755 1.00 0.00 N ATOM 409 CA ALA A 39 -3.626 10.698 -1.573 1.00 0.00 C ATOM 410 C ALA A 39 -3.580 11.595 -2.810 1.00 0.00 C ATOM 411 O ALA A 39 -2.510 11.743 -3.400 1.00 0.00 O ATOM 412 CB ALA A 39 -3.194 11.458 -0.324 1.00 0.00 C ATOM 0 H ALA A 39 -1.713 9.897 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.649 10.343 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.876 12.290 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.214 10.787 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.183 11.840 -0.462 1.00 0.00 H new ATOM 418 N PRO A 40 -4.690 12.211 -3.218 1.00 0.00 N ATOM 419 CA PRO A 40 -4.713 13.082 -4.410 1.00 0.00 C ATOM 420 C PRO A 40 -3.712 14.236 -4.315 1.00 0.00 C ATOM 421 O PRO A 40 -2.939 14.434 -5.252 1.00 0.00 O ATOM 422 CB PRO A 40 -6.150 13.549 -4.585 1.00 0.00 C ATOM 423 CG PRO A 40 -6.922 13.071 -3.360 1.00 0.00 C ATOM 424 CD PRO A 40 -6.014 12.129 -2.571 1.00 0.00 C ATOM 0 HA PRO A 40 -4.391 12.530 -5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.196 14.635 -4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.581 13.138 -5.498 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.221 13.918 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.835 12.558 -3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.957 12.427 -1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.397 11.109 -2.592 1.00 0.00 H new ATOM 557 N ALA A 49 4.180 4.250 -6.277 1.00 0.00 N ATOM 558 CA ALA A 49 4.282 3.388 -5.059 1.00 0.00 C ATOM 559 C ALA A 49 5.698 2.786 -4.894 1.00 0.00 C ATOM 560 O ALA A 49 5.811 1.668 -4.389 1.00 0.00 O ATOM 561 CB ALA A 49 3.088 2.432 -5.113 1.00 0.00 C ATOM 0 HA ALA A 49 4.198 3.939 -4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.109 1.774 -4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.162 3.006 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.142 1.834 -6.023 1.00 0.00 H new ATOM 567 N PRO A 50 6.757 3.617 -4.946 1.00 0.00 N ATOM 568 CA PRO A 50 8.152 3.160 -5.079 1.00 0.00 C ATOM 569 C PRO A 50 8.564 2.097 -4.047 1.00 0.00 C ATOM 570 O PRO A 50 8.753 0.948 -4.413 1.00 0.00 O ATOM 571 CB PRO A 50 9.040 4.381 -4.929 1.00 0.00 C ATOM 572 CG PRO A 50 8.100 5.581 -4.992 1.00 0.00 C ATOM 573 CD PRO A 50 6.735 5.043 -4.547 1.00 0.00 C ATOM 0 HA PRO A 50 8.257 2.681 -6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.583 4.357 -3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.785 4.424 -5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.440 6.383 -4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.052 5.992 -6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.595 5.153 -3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.919 5.579 -5.031 1.00 0.00 H new ATOM 581 N VAL A 51 8.519 2.455 -2.759 1.00 0.00 N ATOM 582 CA VAL A 51 8.867 1.555 -1.627 1.00 0.00 C ATOM 583 C VAL A 51 8.109 0.218 -1.722 1.00 0.00 C ATOM 584 O VAL A 51 8.723 -0.808 -1.990 1.00 0.00 O ATOM 585 CB VAL A 51 8.636 2.318 -0.302 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.724 1.436 0.952 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.687 3.419 -0.158 1.00 0.00 C ATOM 0 H VAL A 51 8.238 3.388 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 51 9.920 1.278 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 51 7.622 2.712 -0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.550 2.046 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.970 0.651 0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.714 0.984 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.525 3.957 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.682 2.974 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.605 4.112 -0.995 1.00 0.00 H new ATOM 597 N ILE A 52 6.803 0.347 -1.881 1.00 0.00 N ATOM 598 CA ILE A 52 5.844 -0.769 -2.013 1.00 0.00 C ATOM 599 C ILE A 52 6.128 -1.629 -3.246 1.00 0.00 C ATOM 600 O ILE A 52 6.142 -2.855 -3.153 1.00 0.00 O ATOM 601 CB ILE A 52 4.458 -0.071 -1.981 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.936 0.158 -0.561 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.353 -0.687 -2.837 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.826 1.073 0.292 1.00 0.00 C ATOM 0 H ILE A 52 6.351 1.260 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 52 5.911 -1.507 -1.214 1.00 0.00 H new ATOM 0 HB ILE A 52 4.691 0.884 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.937 0.590 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.839 -0.806 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.438 -0.105 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.659 -0.684 -3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.172 -1.713 -2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.388 1.185 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.819 0.633 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.904 2.051 -0.183 1.00 0.00 H new ATOM 616 N ASP A 53 6.412 -0.958 -4.367 1.00 0.00 N ATOM 617 CA ASP A 53 6.764 -1.635 -5.632 1.00 0.00 C ATOM 618 C ASP A 53 8.041 -2.475 -5.537 1.00 0.00 C ATOM 619 O ASP A 53 8.114 -3.590 -6.043 1.00 0.00 O ATOM 620 CB ASP A 53 6.839 -0.646 -6.802 1.00 0.00 C ATOM 621 CG ASP A 53 5.453 -0.214 -7.302 1.00 0.00 C ATOM 622 OD1 ASP A 53 5.159 -0.492 -8.476 1.00 0.00 O ATOM 623 OD2 ASP A 53 4.698 0.349 -6.481 1.00 0.00 O ATOM 0 H ASP A 53 6.406 0.060 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 53 5.951 -2.334 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.400 0.236 -6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.391 -1.102 -7.624 1.00 0.00 H new ATOM 629 N GLU A 54 8.962 -1.958 -4.736 1.00 0.00 N ATOM 630 CA GLU A 54 10.206 -2.646 -4.385 1.00 0.00 C ATOM 631 C GLU A 54 10.039 -3.719 -3.310 1.00 0.00 C ATOM 632 O GLU A 54 10.648 -4.769 -3.441 1.00 0.00 O ATOM 633 CB GLU A 54 11.223 -1.644 -3.857 1.00 0.00 C ATOM 634 CG GLU A 54 11.654 -0.612 -4.905 1.00 0.00 C ATOM 635 CD GLU A 54 12.496 0.467 -4.244 1.00 0.00 C ATOM 636 OE1 GLU A 54 11.885 1.456 -3.776 1.00 0.00 O ATOM 637 OE2 GLU A 54 13.742 0.297 -4.236 1.00 0.00 O ATOM 0 H GLU A 54 8.870 -1.039 -4.304 1.00 0.00 H new ATOM 0 HA GLU A 54 10.536 -3.129 -5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.799 -1.124 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.103 -2.181 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.225 -1.099 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.776 -0.166 -5.373 1.00 0.00 H new ATOM 645 N LEU A 55 9.198 -3.490 -2.301 1.00 0.00 N ATOM 646 CA LEU A 55 8.938 -4.520 -1.256 1.00 0.00 C ATOM 647 C LEU A 55 8.447 -5.858 -1.801 1.00 0.00 C ATOM 648 O LEU A 55 8.863 -6.924 -1.342 1.00 0.00 O ATOM 649 CB LEU A 55 7.961 -3.999 -0.198 1.00 0.00 C ATOM 650 CG LEU A 55 8.500 -2.782 0.576 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.379 -2.246 1.472 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.755 -3.093 1.385 1.00 0.00 C ATOM 0 H LEU A 55 8.684 -2.618 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 55 9.910 -4.711 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.022 -3.728 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.737 -4.800 0.507 1.00 0.00 H new ATOM 0 HG LEU A 55 8.805 -2.024 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.741 -1.382 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.530 -1.950 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.067 -3.024 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.084 -2.194 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.535 -3.874 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.545 -3.433 0.715 1.00 0.00 H new ATOM 664 N ALA A 56 7.817 -5.752 -2.970 1.00 0.00 N ATOM 665 CA ALA A 56 7.341 -6.890 -3.780 1.00 0.00 C ATOM 666 C ALA A 56 8.507 -7.748 -4.287 1.00 0.00 C ATOM 667 O ALA A 56 8.494 -8.968 -4.178 1.00 0.00 O ATOM 668 CB ALA A 56 6.571 -6.318 -4.969 1.00 0.00 C ATOM 0 H ALA A 56 7.614 -4.849 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 56 6.708 -7.532 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.204 -7.134 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.728 -5.729 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.231 -5.682 -5.558 1.00 0.00 H new ATOM 674 N LYS A 57 9.523 -7.077 -4.831 1.00 0.00 N ATOM 675 CA LYS A 57 10.773 -7.706 -5.308 1.00 0.00 C ATOM 676 C LYS A 57 11.606 -8.227 -4.136 1.00 0.00 C ATOM 677 O LYS A 57 12.070 -9.363 -4.139 1.00 0.00 O ATOM 678 CB LYS A 57 11.683 -6.697 -6.031 1.00 0.00 C ATOM 679 CG LYS A 57 10.984 -5.711 -6.974 1.00 0.00 C ATOM 680 CD LYS A 57 10.445 -6.352 -8.243 1.00 0.00 C ATOM 681 CE LYS A 57 9.775 -5.220 -9.018 1.00 0.00 C ATOM 682 NZ LYS A 57 9.000 -5.887 -10.051 1.00 0.00 N ATOM 0 H LYS A 57 9.508 -6.065 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 57 10.459 -8.507 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.226 -6.125 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.424 -7.254 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.161 -5.234 -6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.686 -4.923 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.247 -6.805 -8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.733 -7.144 -8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.137 -4.620 -8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.514 -4.545 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.508 -5.176 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.636 -6.445 -10.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.301 -6.517 -9.608 1.00 0.00 H new ATOM 696 N GLU A 58 11.602 -7.416 -3.067 1.00 0.00 N ATOM 697 CA GLU A 58 12.363 -7.649 -1.826 1.00 0.00 C ATOM 698 C GLU A 58 12.014 -8.993 -1.165 1.00 0.00 C ATOM 699 O GLU A 58 12.899 -9.713 -0.720 1.00 0.00 O ATOM 700 CB GLU A 58 12.121 -6.517 -0.839 1.00 0.00 C ATOM 701 CG GLU A 58 13.270 -5.527 -0.869 1.00 0.00 C ATOM 702 CD GLU A 58 13.119 -4.435 -1.936 1.00 0.00 C ATOM 703 OE1 GLU A 58 13.525 -4.663 -3.097 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.691 -3.336 -1.513 1.00 0.00 O ATOM 0 H GLU A 58 11.055 -6.556 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 58 13.417 -7.682 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.189 -6.008 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.009 -6.922 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.357 -5.056 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.199 -6.068 -1.046 1.00 0.00 H new ATOM 712 N TYR A 59 10.717 -9.230 -1.043 1.00 0.00 N ATOM 713 CA TYR A 59 10.251 -10.544 -0.570 1.00 0.00 C ATOM 714 C TYR A 59 9.369 -11.202 -1.631 1.00 0.00 C ATOM 715 O TYR A 59 8.153 -11.125 -1.567 1.00 0.00 O ATOM 716 CB TYR A 59 9.590 -10.574 0.815 1.00 0.00 C ATOM 717 CG TYR A 59 9.318 -9.210 1.428 1.00 0.00 C ATOM 718 CD1 TYR A 59 10.323 -8.622 2.222 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.077 -8.589 1.189 1.00 0.00 C ATOM 720 CE1 TYR A 59 10.094 -7.356 2.777 1.00 0.00 C ATOM 721 CE2 TYR A 59 7.847 -7.327 1.752 1.00 0.00 C ATOM 722 CZ TYR A 59 8.852 -6.729 2.529 1.00 0.00 C ATOM 723 OH TYR A 59 8.573 -5.510 3.068 1.00 0.00 O ATOM 0 H TYR A 59 9.980 -8.558 -1.255 1.00 0.00 H new ATOM 0 HA TYR A 59 11.160 -11.126 -0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.647 -11.116 0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.229 -11.139 1.493 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.255 -9.139 2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.322 -9.073 0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.848 -6.871 3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.907 -6.820 1.590 1.00 0.00 H new ATOM 0 HH TYR A 59 7.757 -5.151 2.661 1.00 0.00 H new ATOM 733 N SER A 60 10.067 -11.457 -2.734 1.00 0.00 N ATOM 734 CA SER A 60 9.608 -12.222 -3.892 1.00 0.00 C ATOM 735 C SER A 60 8.326 -13.022 -3.699 1.00 0.00 C ATOM 736 O SER A 60 8.303 -14.203 -3.322 1.00 0.00 O ATOM 737 CB SER A 60 10.671 -13.196 -4.385 1.00 0.00 C ATOM 738 OG SER A 60 10.142 -13.919 -5.504 1.00 0.00 O ATOM 0 H SER A 60 11.021 -11.117 -2.851 1.00 0.00 H new ATOM 0 HA SER A 60 9.400 -11.438 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.573 -12.657 -4.675 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.953 -13.884 -3.588 1.00 0.00 H new ATOM 0 HG SER A 60 10.816 -14.550 -5.834 1.00 0.00 H new ATOM 744 N GLY A 61 7.280 -12.286 -3.991 1.00 0.00 N ATOM 745 CA GLY A 61 5.948 -12.872 -4.099 1.00 0.00 C ATOM 746 C GLY A 61 5.115 -12.837 -2.822 1.00 0.00 C ATOM 747 O GLY A 61 3.912 -13.047 -2.966 1.00 0.00 O ATOM 0 H GLY A 61 7.316 -11.281 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.402 -12.349 -4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.050 -13.909 -4.418 1.00 0.00 H new ATOM 751 N LYS A 62 5.674 -12.375 -1.708 1.00 0.00 N ATOM 752 CA LYS A 62 4.953 -12.275 -0.430 1.00 0.00 C ATOM 753 C LYS A 62 3.600 -11.566 -0.567 1.00 0.00 C ATOM 754 O LYS A 62 2.542 -12.145 -0.329 1.00 0.00 O ATOM 755 CB LYS A 62 5.841 -11.528 0.579 1.00 0.00 C ATOM 756 CG LYS A 62 5.272 -11.583 1.993 1.00 0.00 C ATOM 757 CD LYS A 62 5.034 -13.003 2.478 1.00 0.00 C ATOM 758 CE LYS A 62 4.415 -12.905 3.869 1.00 0.00 C ATOM 759 NZ LYS A 62 4.018 -14.271 4.238 1.00 0.00 N ATOM 0 H LYS A 62 6.642 -12.057 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 62 4.740 -13.286 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.840 -11.963 0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.944 -10.488 0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.958 -11.081 2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.332 -11.032 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.370 -13.536 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.970 -13.560 2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.130 -12.500 4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.554 -12.237 3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.587 -14.264 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.329 -14.631 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.856 -14.886 4.244 1.00 0.00 H new ATOM 773 N ILE A 63 3.670 -10.326 -1.027 1.00 0.00 N ATOM 774 CA ILE A 63 2.517 -9.419 -0.946 1.00 0.00 C ATOM 775 C ILE A 63 2.167 -8.718 -2.267 1.00 0.00 C ATOM 776 O ILE A 63 3.019 -8.133 -2.928 1.00 0.00 O ATOM 777 CB ILE A 63 2.677 -8.468 0.261 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.104 -7.958 0.509 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.212 -9.153 1.541 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.648 -7.001 -0.552 1.00 0.00 C ATOM 0 H ILE A 63 4.501 -9.920 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 63 1.631 -10.029 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 63 2.064 -7.605 0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.130 -7.455 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.772 -8.816 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.331 -8.471 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.162 -9.431 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.810 -10.048 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.661 -6.699 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.662 -7.501 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.010 -6.119 -0.608 1.00 0.00 H new ATOM 792 N ALA A 64 0.903 -8.877 -2.634 1.00 0.00 N ATOM 793 CA ALA A 64 0.296 -8.250 -3.818 1.00 0.00 C ATOM 794 C ALA A 64 -0.005 -6.774 -3.544 1.00 0.00 C ATOM 795 O ALA A 64 -0.821 -6.418 -2.694 1.00 0.00 O ATOM 796 CB ALA A 64 -0.962 -9.029 -4.196 1.00 0.00 C ATOM 0 H ALA A 64 0.249 -9.458 -2.110 1.00 0.00 H new ATOM 0 HA ALA A 64 0.989 -8.282 -4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.422 -8.574 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.697 -10.062 -4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.667 -9.008 -3.365 1.00 0.00 H new ATOM 802 N VAL A 65 0.998 -6.012 -3.964 1.00 0.00 N ATOM 803 CA VAL A 65 1.147 -4.554 -3.852 1.00 0.00 C ATOM 804 C VAL A 65 0.197 -3.668 -4.685 1.00 0.00 C ATOM 805 O VAL A 65 0.399 -3.390 -5.865 1.00 0.00 O ATOM 806 CB VAL A 65 2.625 -4.184 -4.085 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.443 -4.537 -2.836 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.252 -4.770 -5.350 1.00 0.00 C ATOM 0 H VAL A 65 1.802 -6.429 -4.434 1.00 0.00 H new ATOM 0 HA VAL A 65 0.827 -4.319 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 65 2.645 -3.108 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.488 -4.276 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.060 -3.981 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.363 -5.606 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.292 -4.451 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.208 -5.858 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.704 -4.419 -6.224 1.00 0.00 H new ATOM 818 N TYR A 66 -0.842 -3.250 -3.979 1.00 0.00 N ATOM 819 CA TYR A 66 -1.942 -2.429 -4.510 1.00 0.00 C ATOM 820 C TYR A 66 -1.939 -1.017 -3.909 1.00 0.00 C ATOM 821 O TYR A 66 -1.525 -0.792 -2.770 1.00 0.00 O ATOM 822 CB TYR A 66 -3.258 -3.138 -4.179 1.00 0.00 C ATOM 823 CG TYR A 66 -3.308 -4.587 -4.650 1.00 0.00 C ATOM 824 CD1 TYR A 66 -2.946 -4.932 -5.973 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.891 -5.535 -3.781 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.210 -6.228 -6.451 1.00 0.00 C ATOM 827 CE2 TYR A 66 -4.147 -6.830 -4.247 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.821 -7.159 -5.583 1.00 0.00 C ATOM 829 OH TYR A 66 -4.085 -8.402 -6.041 1.00 0.00 O ATOM 0 H TYR A 66 -0.955 -3.474 -2.990 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.819 -2.317 -5.587 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.414 -3.110 -3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.081 -2.588 -4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.469 -4.204 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.137 -5.263 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.951 -6.506 -7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.588 -7.569 -3.594 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.488 -9.045 -5.605 1.00 0.00 H new ATOM 839 N LYS A 67 -2.402 -0.051 -4.695 1.00 0.00 N ATOM 840 CA LYS A 67 -2.423 1.364 -4.278 1.00 0.00 C ATOM 841 C LYS A 67 -3.810 1.998 -4.331 1.00 0.00 C ATOM 842 O LYS A 67 -4.425 2.141 -5.396 1.00 0.00 O ATOM 843 CB LYS A 67 -1.370 2.225 -5.000 1.00 0.00 C ATOM 844 CG LYS A 67 -1.333 2.092 -6.527 1.00 0.00 C ATOM 845 CD LYS A 67 -0.500 0.899 -6.970 1.00 0.00 C ATOM 846 CE LYS A 67 -0.673 0.679 -8.461 1.00 0.00 C ATOM 847 NZ LYS A 67 0.138 -0.475 -8.846 1.00 0.00 N ATOM 0 H LYS A 67 -2.772 -0.214 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.141 1.343 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.549 3.271 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.386 1.967 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.349 1.987 -6.907 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.922 3.003 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.551 1.071 -6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.806 0.007 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.722 0.504 -8.701 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.362 1.565 -9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.036 -0.646 -9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.137 -0.287 -8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.181 -1.314 -8.321 1.00 0.00 H new ATOM 861 N LEU A 68 -4.356 2.152 -3.130 1.00 0.00 N ATOM 862 CA LEU A 68 -5.709 2.706 -2.940 1.00 0.00 C ATOM 863 C LEU A 68 -5.831 4.182 -3.312 1.00 0.00 C ATOM 864 O LEU A 68 -5.270 5.072 -2.665 1.00 0.00 O ATOM 865 CB LEU A 68 -6.233 2.466 -1.521 1.00 0.00 C ATOM 866 CG LEU A 68 -7.708 2.898 -1.471 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.632 1.704 -1.651 1.00 0.00 C ATOM 868 CD2 LEU A 68 -8.033 3.681 -0.190 1.00 0.00 C ATOM 0 H LEU A 68 -3.885 1.901 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.337 2.156 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.136 1.414 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.646 3.034 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.879 3.578 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.669 2.037 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.438 1.236 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.453 0.982 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.085 3.967 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.831 3.056 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.414 4.577 -0.144 1.00 0.00 H new ATOM 880 N ASN A 69 -6.699 4.363 -4.302 1.00 0.00 N ATOM 881 CA ASN A 69 -7.083 5.693 -4.802 1.00 0.00 C ATOM 882 C ASN A 69 -8.074 6.239 -3.787 1.00 0.00 C ATOM 883 O ASN A 69 -9.260 5.934 -3.801 1.00 0.00 O ATOM 884 CB ASN A 69 -7.686 5.569 -6.191 1.00 0.00 C ATOM 885 CG ASN A 69 -6.765 4.937 -7.256 1.00 0.00 C ATOM 886 OD1 ASN A 69 -6.164 3.891 -7.093 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.778 5.513 -8.438 1.00 0.00 N ATOM 0 H ASN A 69 -7.161 3.594 -4.786 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.233 6.368 -4.903 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.596 4.973 -6.122 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.980 6.562 -6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.284 5.083 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.282 6.389 -8.573 1.00 0.00 H new ATOM 894 N THR A 70 -7.505 6.906 -2.795 1.00 0.00 N ATOM 895 CA THR A 70 -8.254 7.471 -1.646 1.00 0.00 C ATOM 896 C THR A 70 -9.465 8.331 -2.022 1.00 0.00 C ATOM 897 O THR A 70 -10.528 8.219 -1.422 1.00 0.00 O ATOM 898 CB THR A 70 -7.327 8.268 -0.748 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.516 9.138 -1.540 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.496 7.293 0.082 1.00 0.00 C ATOM 0 H THR A 70 -6.501 7.081 -2.750 1.00 0.00 H new ATOM 0 HA THR A 70 -8.654 6.604 -1.120 1.00 0.00 H new ATOM 0 HB THR A 70 -7.895 8.898 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.770 8.631 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.824 7.851 0.734 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.158 6.675 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.912 6.656 -0.582 1.00 0.00 H new ATOM 908 N ASP A 71 -9.302 9.048 -3.124 1.00 0.00 N ATOM 909 CA ASP A 71 -10.341 9.853 -3.806 1.00 0.00 C ATOM 910 C ASP A 71 -11.536 9.012 -4.316 1.00 0.00 C ATOM 911 O ASP A 71 -12.673 9.470 -4.364 1.00 0.00 O ATOM 912 CB ASP A 71 -9.705 10.654 -4.951 1.00 0.00 C ATOM 913 CG ASP A 71 -8.779 9.841 -5.879 1.00 0.00 C ATOM 914 OD1 ASP A 71 -9.240 9.446 -6.968 1.00 0.00 O ATOM 915 OD2 ASP A 71 -7.719 9.380 -5.412 1.00 0.00 O ATOM 0 H ASP A 71 -8.402 9.096 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.756 10.535 -3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.501 11.095 -5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.134 11.478 -4.524 1.00 0.00 H new ATOM 921 N GLU A 72 -11.211 7.779 -4.665 1.00 0.00 N ATOM 922 CA GLU A 72 -12.144 6.779 -5.196 1.00 0.00 C ATOM 923 C GLU A 72 -12.716 5.846 -4.120 1.00 0.00 C ATOM 924 O GLU A 72 -13.654 5.096 -4.395 1.00 0.00 O ATOM 925 CB GLU A 72 -11.318 5.949 -6.179 1.00 0.00 C ATOM 926 CG GLU A 72 -11.910 6.033 -7.584 1.00 0.00 C ATOM 927 CD GLU A 72 -10.923 5.381 -8.546 1.00 0.00 C ATOM 928 OE1 GLU A 72 -10.034 6.113 -9.026 1.00 0.00 O ATOM 929 OE2 GLU A 72 -11.048 4.144 -8.724 1.00 0.00 O ATOM 0 H GLU A 72 -10.257 7.426 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.002 7.280 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.289 6.307 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.290 4.910 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.874 5.525 -7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.086 7.072 -7.863 1.00 0.00 H new ATOM 937 N ALA A 73 -12.016 5.749 -2.994 1.00 0.00 N ATOM 938 CA ALA A 73 -12.454 4.884 -1.881 1.00 0.00 C ATOM 939 C ALA A 73 -12.315 5.524 -0.487 1.00 0.00 C ATOM 940 O ALA A 73 -11.441 5.160 0.300 1.00 0.00 O ATOM 941 CB ALA A 73 -11.735 3.545 -2.012 1.00 0.00 C ATOM 0 H ALA A 73 -11.146 6.252 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.530 4.729 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.042 2.886 -1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.991 3.087 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.658 3.704 -1.963 1.00 0.00 H new ATOM 947 N PRO A 74 -13.259 6.414 -0.141 1.00 0.00 N ATOM 948 CA PRO A 74 -13.312 7.042 1.204 1.00 0.00 C ATOM 949 C PRO A 74 -13.671 6.044 2.306 1.00 0.00 C ATOM 950 O PRO A 74 -13.037 6.033 3.357 1.00 0.00 O ATOM 951 CB PRO A 74 -14.351 8.158 1.117 1.00 0.00 C ATOM 952 CG PRO A 74 -15.170 7.862 -0.137 1.00 0.00 C ATOM 953 CD PRO A 74 -14.285 6.994 -1.027 1.00 0.00 C ATOM 0 HA PRO A 74 -12.329 7.427 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.984 8.173 2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.872 9.135 1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.095 7.344 0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.449 8.784 -0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.868 6.212 -1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.827 7.587 -1.818 1.00 0.00 H new ATOM 961 N GLY A 75 -14.622 5.159 2.009 1.00 0.00 N ATOM 962 CA GLY A 75 -15.146 4.097 2.901 1.00 0.00 C ATOM 963 C GLY A 75 -14.053 3.151 3.381 1.00 0.00 C ATOM 964 O GLY A 75 -13.958 2.824 4.559 1.00 0.00 O ATOM 0 H GLY A 75 -15.078 5.154 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.630 4.556 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.910 3.527 2.373 1.00 0.00 H new ATOM 968 N ILE A 76 -13.132 2.826 2.464 1.00 0.00 N ATOM 969 CA ILE A 76 -11.937 2.031 2.787 1.00 0.00 C ATOM 970 C ILE A 76 -11.084 2.758 3.843 1.00 0.00 C ATOM 971 O ILE A 76 -10.854 2.247 4.930 1.00 0.00 O ATOM 972 CB ILE A 76 -11.186 1.715 1.484 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.051 0.922 0.482 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.858 1.022 1.759 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.601 -0.412 0.990 1.00 0.00 C ATOM 0 H ILE A 76 -13.192 3.104 1.484 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.209 1.077 3.238 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.964 2.671 1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.890 1.548 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.457 0.732 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.354 0.814 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.230 1.669 2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.039 0.086 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.193 -0.884 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.773 -1.067 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.229 -0.238 1.864 1.00 0.00 H new ATOM 987 N ALA A 77 -10.749 4.000 3.530 1.00 0.00 N ATOM 988 CA ALA A 77 -10.041 4.885 4.462 1.00 0.00 C ATOM 989 C ALA A 77 -10.761 5.037 5.818 1.00 0.00 C ATOM 990 O ALA A 77 -10.092 4.978 6.851 1.00 0.00 O ATOM 991 CB ALA A 77 -9.799 6.257 3.821 1.00 0.00 C ATOM 0 H ALA A 77 -10.956 4.428 2.628 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.082 4.412 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.273 6.900 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.197 6.137 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.755 6.710 3.560 1.00 0.00 H new ATOM 997 N THR A 78 -12.091 5.056 5.815 1.00 0.00 N ATOM 998 CA THR A 78 -12.911 5.070 7.044 1.00 0.00 C ATOM 999 C THR A 78 -12.685 3.779 7.851 1.00 0.00 C ATOM 1000 O THR A 78 -12.128 3.828 8.951 1.00 0.00 O ATOM 1001 CB THR A 78 -14.389 5.083 6.691 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.692 6.120 5.745 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.310 5.257 7.902 1.00 0.00 C ATOM 0 H THR A 78 -12.644 5.062 4.958 1.00 0.00 H new ATOM 0 HA THR A 78 -12.626 5.955 7.613 1.00 0.00 H new ATOM 0 HB THR A 78 -14.579 4.101 6.258 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.218 5.945 4.905 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.349 5.257 7.572 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.151 4.436 8.601 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.087 6.203 8.396 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.038 2.640 7.247 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.033 1.338 7.948 1.00 0.00 C ATOM 1013 C GLN A 79 -11.654 0.839 8.409 1.00 0.00 C ATOM 1014 O GLN A 79 -11.552 -0.089 9.203 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.778 0.246 7.172 1.00 0.00 C ATOM 1016 CG GLN A 79 -13.284 0.033 5.750 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.312 -0.666 4.855 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -15.226 -0.058 4.320 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -14.106 -1.937 4.555 1.00 0.00 N ATOM 0 H GLN A 79 -13.333 2.586 6.272 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.583 1.549 8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -13.691 -0.693 7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.838 0.499 7.141 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.027 0.998 5.313 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.370 -0.560 5.774 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.344 -2.449 4.999 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.709 -2.406 3.879 1.00 0.00 H new ATOM 1028 N TYR A 80 -10.617 1.439 7.834 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.228 1.132 8.222 1.00 0.00 C ATOM 1030 C TYR A 80 -8.532 2.248 9.002 1.00 0.00 C ATOM 1031 O TYR A 80 -7.358 2.161 9.353 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.440 0.733 6.962 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.039 -0.527 6.327 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.373 -1.633 7.141 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.530 -0.413 5.008 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.263 -2.600 6.665 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.427 -1.386 4.528 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.797 -2.450 5.369 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.672 -3.386 4.923 1.00 0.00 O ATOM 0 H TYR A 80 -10.703 2.140 7.098 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.259 0.299 8.924 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.455 1.552 6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.396 0.555 7.221 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.942 -1.731 8.127 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.222 0.408 4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.536 -3.446 7.278 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.826 -1.316 3.527 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.989 -3.924 5.679 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.336 3.249 9.353 1.00 0.00 N ATOM 1050 CA ASN A 81 -8.896 4.417 10.100 1.00 0.00 C ATOM 1051 C ASN A 81 -7.631 5.129 9.668 1.00 0.00 C ATOM 1052 O ASN A 81 -6.716 5.481 10.428 1.00 0.00 O ATOM 1053 CB ASN A 81 -8.824 3.974 11.500 1.00 0.00 C ATOM 1054 CG ASN A 81 -10.193 4.406 11.908 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -9.523 4.677 12.789 1.00 0.00 O flip ATOM 1056 ND2 ASN A 81 -10.563 4.644 13.121 1.00 0.00 N flip ATOM 0 H ASN A 81 -10.329 3.268 9.120 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.621 5.208 9.909 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.666 2.900 11.602 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.033 4.468 12.065 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.551 4.598 13.371 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.868 4.878 13.830 1.00 0.00 H new ATOM 1063 N ILE A 82 -7.728 5.425 8.402 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.594 6.010 7.687 1.00 0.00 C ATOM 1065 C ILE A 82 -6.788 7.517 7.580 1.00 0.00 C ATOM 1066 O ILE A 82 -7.669 8.052 6.907 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.205 5.222 6.402 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.322 5.990 5.092 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.843 3.827 6.281 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -5.168 6.975 4.920 1.00 0.00 C ATOM 0 H ILE A 82 -8.564 5.279 7.836 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.674 5.893 8.260 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.138 5.072 6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.332 5.289 4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.269 6.529 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.514 3.355 5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.539 3.213 7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.929 3.923 6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.281 7.507 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.175 7.690 5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.223 6.432 4.919 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.085 8.123 8.521 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.013 9.593 8.654 1.00 0.00 C ATOM 1084 C ARG A 83 -4.603 10.112 8.324 1.00 0.00 C ATOM 1085 O ARG A 83 -4.264 11.270 8.578 1.00 0.00 O ATOM 1086 CB ARG A 83 -6.316 9.950 10.122 1.00 0.00 C ATOM 1087 CG ARG A 83 -7.550 9.245 10.709 1.00 0.00 C ATOM 1088 CD ARG A 83 -8.819 9.600 9.938 1.00 0.00 C ATOM 1089 NE ARG A 83 -9.919 8.737 10.415 1.00 0.00 N ATOM 1090 CZ ARG A 83 -10.551 7.801 9.707 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -10.217 7.525 8.461 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -11.503 7.068 10.258 1.00 0.00 N ATOM 0 H ARG A 83 -5.542 7.621 9.223 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.726 10.045 7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.447 9.700 10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.459 11.028 10.198 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.399 8.166 10.685 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.668 9.527 11.755 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.071 10.650 10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.664 9.458 8.868 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.224 8.870 11.379 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.455 8.034 8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.720 6.803 7.946 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.760 7.216 11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.980 6.354 9.707 1.00 0.00 H new ATOM 1106 N SER A 84 -3.828 9.255 7.663 1.00 0.00 N ATOM 1107 CA SER A 84 -2.384 9.500 7.460 1.00 0.00 C ATOM 1108 C SER A 84 -1.853 9.729 6.046 1.00 0.00 C ATOM 1109 O SER A 84 -1.631 10.873 5.676 1.00 0.00 O ATOM 1110 CB SER A 84 -1.553 8.462 8.229 1.00 0.00 C ATOM 1111 OG SER A 84 -1.976 7.124 7.917 1.00 0.00 O ATOM 0 H SER A 84 -4.166 8.383 7.256 1.00 0.00 H new ATOM 0 HA SER A 84 -2.257 10.500 7.876 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.498 8.580 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.650 8.636 9.301 1.00 0.00 H new ATOM 0 HG SER A 84 -1.234 6.502 8.070 1.00 0.00 H new ATOM 1117 N ILE A 85 -1.657 8.626 5.299 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.008 8.556 3.971 1.00 0.00 C ATOM 1119 C ILE A 85 0.528 8.712 4.109 1.00 0.00 C ATOM 1120 O ILE A 85 1.012 9.773 4.499 1.00 0.00 O ATOM 1121 CB ILE A 85 -1.582 9.522 2.895 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.097 9.332 2.690 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -0.813 9.464 1.560 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -3.533 8.006 2.070 1.00 0.00 C ATOM 0 H ILE A 85 -1.963 7.708 5.621 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.245 7.563 3.590 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.433 10.527 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.589 9.436 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.461 10.142 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.262 10.160 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.229 9.738 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.862 8.453 1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.619 7.988 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.081 7.899 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.211 7.183 2.708 1.00 0.00 H new ATOM 1136 N PRO A 86 1.269 7.647 3.768 1.00 0.00 N ATOM 1137 CA PRO A 86 0.752 6.330 3.352 1.00 0.00 C ATOM 1138 C PRO A 86 0.408 5.462 4.567 1.00 0.00 C ATOM 1139 O PRO A 86 0.984 5.580 5.650 1.00 0.00 O ATOM 1140 CB PRO A 86 1.876 5.646 2.566 1.00 0.00 C ATOM 1141 CG PRO A 86 3.116 6.511 2.774 1.00 0.00 C ATOM 1142 CD PRO A 86 2.738 7.671 3.700 1.00 0.00 C ATOM 0 HA PRO A 86 -0.154 6.456 2.759 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.043 4.631 2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.624 5.572 1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.922 5.922 3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.480 6.890 1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.180 7.546 4.688 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.099 8.622 3.308 1.00 0.00 H new ATOM 1150 N THR A 87 -0.528 4.569 4.311 1.00 0.00 N ATOM 1151 CA THR A 87 -1.030 3.633 5.337 1.00 0.00 C ATOM 1152 C THR A 87 -0.991 2.229 4.751 1.00 0.00 C ATOM 1153 O THR A 87 -1.883 1.798 4.025 1.00 0.00 O ATOM 1154 CB THR A 87 -2.469 3.978 5.753 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.602 5.407 5.912 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.849 3.226 7.037 1.00 0.00 C ATOM 0 H THR A 87 -0.969 4.460 3.398 1.00 0.00 H new ATOM 0 HA THR A 87 -0.403 3.704 6.226 1.00 0.00 H new ATOM 0 HB THR A 87 -3.159 3.659 4.972 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.381 5.656 6.834 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.871 3.481 7.319 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.777 2.152 6.865 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.169 3.511 7.840 1.00 0.00 H new ATOM 1164 N VAL A 88 0.077 1.533 5.101 1.00 0.00 N ATOM 1165 CA VAL A 88 0.316 0.156 4.632 1.00 0.00 C ATOM 1166 C VAL A 88 -0.257 -0.903 5.562 1.00 0.00 C ATOM 1167 O VAL A 88 0.154 -1.072 6.711 1.00 0.00 O ATOM 1168 CB VAL A 88 1.778 -0.181 4.301 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.207 0.424 2.975 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.763 0.176 5.424 1.00 0.00 C ATOM 0 H VAL A 88 0.807 1.894 5.715 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.229 0.131 3.689 1.00 0.00 H new ATOM 0 HB VAL A 88 1.814 -1.266 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.247 0.164 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.576 0.035 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.107 1.508 3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.775 -0.090 5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.714 1.246 5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.500 -0.374 6.327 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.229 -1.595 4.997 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.870 -2.738 5.668 1.00 0.00 C ATOM 1182 C LEU A 89 -1.415 -4.055 5.032 1.00 0.00 C ATOM 1183 O LEU A 89 -1.337 -4.176 3.803 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.399 -2.715 5.602 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.080 -1.672 6.489 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -4.185 -0.319 5.786 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.484 -2.167 6.821 1.00 0.00 C ATOM 0 H LEU A 89 -1.602 -1.393 4.069 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.566 -2.660 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.698 -2.539 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.772 -3.701 5.878 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.483 -1.539 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.674 0.397 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.186 0.040 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.769 -0.428 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.987 -1.436 7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.050 -2.300 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.419 -3.119 7.347 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.269 -5.042 5.895 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.866 -6.399 5.491 1.00 0.00 C ATOM 1201 C PHE A 90 -2.010 -7.371 5.765 1.00 0.00 C ATOM 1202 O PHE A 90 -2.613 -7.436 6.837 1.00 0.00 O ATOM 1203 CB PHE A 90 0.397 -6.880 6.211 1.00 0.00 C ATOM 1204 CG PHE A 90 1.491 -5.812 6.299 1.00 0.00 C ATOM 1205 CD1 PHE A 90 2.108 -5.356 5.111 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.532 -5.056 7.486 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.717 -4.082 5.102 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.127 -3.781 7.477 1.00 0.00 C ATOM 1209 CZ PHE A 90 2.716 -3.308 6.288 1.00 0.00 C ATOM 0 H PHE A 90 -1.423 -4.938 6.898 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.637 -6.365 4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.132 -7.202 7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.792 -7.753 5.691 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.113 -5.973 4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.109 -5.452 8.398 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.178 -3.703 4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.132 -3.173 8.370 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.178 -2.332 6.281 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.421 -7.908 4.626 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.524 -8.877 4.468 1.00 0.00 C ATOM 1221 C PHE A 91 -3.017 -10.228 3.985 1.00 0.00 C ATOM 1222 O PHE A 91 -2.009 -10.343 3.297 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.489 -8.391 3.395 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.252 -7.136 3.792 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.691 -5.874 3.473 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.542 -7.254 4.347 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.456 -4.719 3.706 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.300 -6.093 4.583 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.746 -4.837 4.261 1.00 0.00 C ATOM 0 H PHE A 91 -1.980 -7.676 3.736 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.000 -8.970 5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.933 -8.194 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.202 -9.185 3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.696 -5.802 3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.945 -8.227 4.589 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.058 -3.746 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.292 -6.163 5.005 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.324 -3.944 4.444 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.748 -11.234 4.426 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.724 -12.561 3.794 1.00 0.00 C ATOM 1241 C LYS A 92 -5.112 -12.782 3.159 1.00 0.00 C ATOM 1242 O LYS A 92 -5.994 -13.472 3.665 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.334 -13.664 4.768 1.00 0.00 C ATOM 1244 CG LYS A 92 -3.095 -14.944 3.960 1.00 0.00 C ATOM 1245 CD LYS A 92 -2.487 -15.983 4.897 1.00 0.00 C ATOM 1246 CE LYS A 92 -2.316 -17.326 4.194 1.00 0.00 C ATOM 1247 NZ LYS A 92 -1.884 -18.286 5.206 1.00 0.00 N ATOM 0 H LYS A 92 -4.375 -11.166 5.227 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.953 -12.602 3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.435 -13.387 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.123 -13.819 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.032 -15.311 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.426 -14.747 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.520 -15.631 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.126 -16.106 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.253 -17.644 3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.579 -17.251 3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.755 -19.220 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.984 -17.971 5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.605 -18.352 5.953 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.301 -11.885 2.197 1.00 0.00 N ATOM 1262 CA ASN A 93 -6.507 -11.672 1.374 1.00 0.00 C ATOM 1263 C ASN A 93 -7.568 -10.921 2.199 1.00 0.00 C ATOM 1264 O ASN A 93 -7.340 -9.772 2.579 1.00 0.00 O ATOM 1265 CB ASN A 93 -7.014 -12.971 0.736 1.00 0.00 C ATOM 1266 CG ASN A 93 -6.088 -13.410 -0.388 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -6.114 -12.910 -1.499 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -5.287 -14.409 -0.084 1.00 0.00 N ATOM 0 H ASN A 93 -4.560 -11.231 1.945 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.253 -11.040 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.075 -13.754 1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.022 -12.823 0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.658 -14.792 -0.790 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.295 -14.800 0.858 1.00 0.00 H new ATOM 1275 N GLY A 94 -8.440 -11.701 2.814 1.00 0.00 N ATOM 1276 CA GLY A 94 -9.554 -11.217 3.644 1.00 0.00 C ATOM 1277 C GLY A 94 -9.258 -11.279 5.150 1.00 0.00 C ATOM 1278 O GLY A 94 -10.182 -11.467 5.946 1.00 0.00 O ATOM 0 H GLY A 94 -8.400 -12.718 2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.784 -10.188 3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.443 -11.811 3.430 1.00 0.00 H new ATOM 1282 N GLU A 95 -8.002 -11.068 5.526 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.559 -11.141 6.929 1.00 0.00 C ATOM 1284 C GLU A 95 -6.399 -10.158 7.117 1.00 0.00 C ATOM 1285 O GLU A 95 -5.310 -10.359 6.585 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.122 -12.594 7.167 1.00 0.00 C ATOM 1287 CG GLU A 95 -6.774 -12.931 8.624 1.00 0.00 C ATOM 1288 CD GLU A 95 -5.350 -12.511 8.982 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -4.420 -13.143 8.440 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -5.219 -11.541 9.757 1.00 0.00 O ATOM 0 H GLU A 95 -7.254 -10.840 4.871 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.340 -10.872 7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.921 -13.258 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.254 -12.804 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.478 -12.432 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.888 -14.003 8.786 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.655 -9.181 7.976 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.650 -8.136 8.228 1.00 0.00 C ATOM 1300 C ARG A 96 -4.903 -8.346 9.541 1.00 0.00 C ATOM 1301 O ARG A 96 -5.462 -8.502 10.627 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.176 -6.703 8.120 1.00 0.00 C ATOM 1303 CG ARG A 96 -7.358 -6.404 9.038 1.00 0.00 C ATOM 1304 CD ARG A 96 -7.073 -5.182 9.915 1.00 0.00 C ATOM 1305 NE ARG A 96 -6.005 -5.471 10.893 1.00 0.00 N ATOM 1306 CZ ARG A 96 -5.164 -4.573 11.388 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -5.214 -3.333 10.942 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -4.254 -4.911 12.283 1.00 0.00 N ATOM 0 H ARG A 96 -7.523 -9.083 8.502 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.940 -8.253 7.409 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.366 -6.011 8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.473 -6.513 7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.252 -6.227 8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.562 -7.269 9.668 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.779 -4.340 9.288 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.982 -4.886 10.440 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.907 -6.435 11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.893 -3.076 10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.574 -2.631 11.313 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.189 -5.877 12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.616 -4.206 12.652 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.626 -8.506 9.298 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.607 -8.805 10.307 1.00 0.00 C ATOM 1324 C LYS A 97 -2.106 -7.530 11.000 1.00 0.00 C ATOM 1325 O LYS A 97 -2.149 -7.415 12.224 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.438 -9.486 9.626 1.00 0.00 C ATOM 1327 CG LYS A 97 -1.918 -10.749 8.928 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.121 -10.733 7.636 1.00 0.00 C ATOM 1329 CE LYS A 97 -0.897 -12.122 7.078 1.00 0.00 C ATOM 1330 NZ LYS A 97 -0.158 -11.948 5.824 1.00 0.00 N ATOM 0 H LYS A 97 -3.239 -8.431 8.357 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.051 -9.450 11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.982 -8.810 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.671 -9.733 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.715 -11.642 9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.992 -10.727 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.645 -10.128 6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.157 -10.256 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.333 -12.736 7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.846 -12.628 6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.080 -12.864 5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.663 -11.274 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.794 -11.583 6.030 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.692 -6.563 10.182 1.00 0.00 N ATOM 1345 CA GLU A 98 -1.024 -5.363 10.698 1.00 0.00 C ATOM 1346 C GLU A 98 -1.229 -4.123 9.825 1.00 0.00 C ATOM 1347 O GLU A 98 -1.384 -4.241 8.604 1.00 0.00 O ATOM 1348 CB GLU A 98 0.454 -5.751 10.849 1.00 0.00 C ATOM 1349 CG GLU A 98 1.271 -4.747 11.664 1.00 0.00 C ATOM 1350 CD GLU A 98 0.730 -4.599 13.095 1.00 0.00 C ATOM 1351 OE1 GLU A 98 0.030 -3.589 13.309 1.00 0.00 O ATOM 1352 OE2 GLU A 98 1.128 -5.434 13.926 1.00 0.00 O ATOM 0 H GLU A 98 -1.805 -6.583 9.168 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.456 -5.062 11.652 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.517 -6.730 11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.898 -5.849 9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.312 -5.069 11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.255 -3.777 11.167 1.00 0.00 H new ATOM 1360 N SER A 99 -1.308 -2.974 10.480 1.00 0.00 N ATOM 1361 CA SER A 99 -1.390 -1.673 9.792 1.00 0.00 C ATOM 1362 C SER A 99 -0.394 -0.658 10.341 1.00 0.00 C ATOM 1363 O SER A 99 -0.268 -0.471 11.557 1.00 0.00 O ATOM 1364 CB SER A 99 -2.767 -1.028 9.873 1.00 0.00 C ATOM 1365 OG SER A 99 -2.753 0.059 8.939 1.00 0.00 O ATOM 0 H SER A 99 -1.318 -2.906 11.498 1.00 0.00 H new ATOM 0 HA SER A 99 -1.160 -1.917 8.755 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.549 -1.746 9.624 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.972 -0.672 10.883 1.00 0.00 H new ATOM 0 HG SER A 99 -3.623 0.511 8.950 1.00 0.00 H new ATOM 1371 N ILE A 100 0.340 -0.077 9.412 1.00 0.00 N ATOM 1372 CA ILE A 100 1.267 1.044 9.688 1.00 0.00 C ATOM 1373 C ILE A 100 0.649 2.318 9.102 1.00 0.00 C ATOM 1374 O ILE A 100 0.604 2.538 7.894 1.00 0.00 O ATOM 1375 CB ILE A 100 2.697 0.751 9.198 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.459 -0.188 10.133 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.566 2.005 9.100 1.00 0.00 C ATOM 1378 CD1 ILE A 100 2.973 -1.638 10.174 1.00 0.00 C ATOM 0 H ILE A 100 0.322 -0.359 8.432 1.00 0.00 H new ATOM 0 HA ILE A 100 1.389 1.185 10.762 1.00 0.00 H new ATOM 0 HB ILE A 100 2.540 0.302 8.217 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.509 -0.186 9.840 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.409 0.219 11.143 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.561 1.732 8.749 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.114 2.707 8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.643 2.472 10.082 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.588 -2.208 10.870 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.934 -1.664 10.502 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.050 -2.076 9.179 1.00 0.00 H new ATOM 1390 N ILE A 101 0.198 3.131 10.043 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.429 4.436 9.790 1.00 0.00 C ATOM 1392 C ILE A 101 0.671 5.513 9.849 1.00 0.00 C ATOM 1393 O ILE A 101 0.954 6.044 10.918 1.00 0.00 O ATOM 1394 CB ILE A 101 -1.529 4.625 10.851 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -2.719 3.707 10.610 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -2.131 6.026 10.865 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -2.767 2.529 11.572 1.00 0.00 C ATOM 0 H ILE A 101 0.255 2.903 11.036 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.895 4.508 8.807 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.013 4.410 11.787 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.640 4.283 10.704 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.680 3.332 9.587 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.898 6.085 11.637 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.349 6.756 11.074 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.577 6.240 9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.638 1.912 11.349 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.862 1.932 11.462 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.836 2.898 12.595 1.00 0.00 H new ATOM 1409 N GLY A 102 1.184 5.870 8.675 1.00 0.00 N ATOM 1410 CA GLY A 102 2.296 6.829 8.546 1.00 0.00 C ATOM 1411 C GLY A 102 3.577 6.095 8.134 1.00 0.00 C ATOM 1412 O GLY A 102 4.653 6.307 8.701 1.00 0.00 O ATOM 0 H GLY A 102 0.847 5.508 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.048 7.588 7.804 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.452 7.347 9.492 1.00 0.00 H new ATOM 1416 N ALA A 103 3.471 5.444 6.977 1.00 0.00 N ATOM 1417 CA ALA A 103 4.503 4.552 6.429 1.00 0.00 C ATOM 1418 C ALA A 103 5.606 5.295 5.670 1.00 0.00 C ATOM 1419 O ALA A 103 5.726 5.256 4.443 1.00 0.00 O ATOM 1420 CB ALA A 103 3.791 3.528 5.553 1.00 0.00 C ATOM 0 H ALA A 103 2.649 5.521 6.378 1.00 0.00 H new ATOM 0 HA ALA A 103 5.029 4.060 7.247 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.523 2.844 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.078 2.966 6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.261 4.041 4.750 1.00 0.00 H new ATOM 1426 N VAL A 104 6.498 5.892 6.449 1.00 0.00 N ATOM 1427 CA VAL A 104 7.590 6.701 5.881 1.00 0.00 C ATOM 1428 C VAL A 104 8.977 6.014 5.914 1.00 0.00 C ATOM 1429 O VAL A 104 9.623 5.988 4.857 1.00 0.00 O ATOM 1430 CB VAL A 104 7.555 8.158 6.393 1.00 0.00 C ATOM 1431 CG1 VAL A 104 8.711 9.006 5.859 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.247 8.861 6.006 1.00 0.00 C ATOM 0 H VAL A 104 6.496 5.838 7.468 1.00 0.00 H new ATOM 0 HA VAL A 104 7.399 6.773 4.810 1.00 0.00 H new ATOM 0 HB VAL A 104 7.641 8.078 7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.632 10.019 6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.659 8.568 6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.667 9.036 4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.258 9.884 6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.149 8.875 4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.403 8.324 6.439 1.00 0.00 H new ATOM 1442 N PRO A 105 9.462 5.438 7.027 1.00 0.00 N ATOM 1443 CA PRO A 105 10.771 4.754 7.040 1.00 0.00 C ATOM 1444 C PRO A 105 10.607 3.329 6.529 1.00 0.00 C ATOM 1445 O PRO A 105 10.027 2.476 7.197 1.00 0.00 O ATOM 1446 CB PRO A 105 11.250 4.784 8.504 1.00 0.00 C ATOM 1447 CG PRO A 105 10.057 5.239 9.341 1.00 0.00 C ATOM 1448 CD PRO A 105 8.878 5.448 8.387 1.00 0.00 C ATOM 0 HA PRO A 105 11.501 5.239 6.392 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.593 3.799 8.820 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.091 5.467 8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.811 4.492 10.096 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.290 6.163 9.870 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.136 4.658 8.501 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.372 6.392 8.590 1.00 0.00 H new ATOM 1456 N LYS A 106 11.133 3.100 5.329 1.00 0.00 N ATOM 1457 CA LYS A 106 11.070 1.816 4.597 1.00 0.00 C ATOM 1458 C LYS A 106 11.198 0.559 5.485 1.00 0.00 C ATOM 1459 O LYS A 106 10.329 -0.316 5.460 1.00 0.00 O ATOM 1460 CB LYS A 106 12.147 1.823 3.525 1.00 0.00 C ATOM 1461 CG LYS A 106 11.959 0.632 2.595 1.00 0.00 C ATOM 1462 CD LYS A 106 12.998 0.776 1.502 1.00 0.00 C ATOM 1463 CE LYS A 106 12.740 -0.189 0.347 1.00 0.00 C ATOM 1464 NZ LYS A 106 13.067 -1.546 0.810 1.00 0.00 N ATOM 0 H LYS A 106 11.635 3.822 4.812 1.00 0.00 H new ATOM 0 HA LYS A 106 10.073 1.746 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.100 2.751 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.133 1.782 3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.090 -0.306 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.953 0.621 2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.994 1.800 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.989 0.592 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.699 -0.135 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.350 0.077 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.948 -2.218 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 14.052 -1.572 1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.432 -1.809 1.590 1.00 0.00 H new ATOM 1478 N SER A 107 12.161 0.605 6.398 1.00 0.00 N ATOM 1479 CA SER A 107 12.437 -0.503 7.325 1.00 0.00 C ATOM 1480 C SER A 107 11.269 -0.936 8.214 1.00 0.00 C ATOM 1481 O SER A 107 10.979 -2.124 8.313 1.00 0.00 O ATOM 1482 CB SER A 107 13.629 -0.093 8.195 1.00 0.00 C ATOM 1483 OG SER A 107 13.433 1.239 8.683 1.00 0.00 O ATOM 0 H SER A 107 12.777 1.409 6.522 1.00 0.00 H new ATOM 0 HA SER A 107 12.642 -1.379 6.709 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.737 -0.785 9.030 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.551 -0.147 7.615 1.00 0.00 H new ATOM 0 HG SER A 107 14.196 1.499 9.241 1.00 0.00 H new ATOM 1489 N THR A 108 10.526 0.028 8.739 1.00 0.00 N ATOM 1490 CA THR A 108 9.312 -0.190 9.570 1.00 0.00 C ATOM 1491 C THR A 108 8.261 -1.017 8.832 1.00 0.00 C ATOM 1492 O THR A 108 7.849 -2.081 9.301 1.00 0.00 O ATOM 1493 CB THR A 108 8.737 1.191 9.852 1.00 0.00 C ATOM 1494 OG1 THR A 108 9.787 1.945 10.464 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.495 1.164 10.751 1.00 0.00 C ATOM 0 H THR A 108 10.742 1.016 8.605 1.00 0.00 H new ATOM 0 HA THR A 108 9.576 -0.733 10.478 1.00 0.00 H new ATOM 0 HB THR A 108 8.397 1.639 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.401 2.608 11.073 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.139 2.182 10.910 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.712 0.576 10.272 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.750 0.715 11.711 1.00 0.00 H new ATOM 1503 N LEU A 109 8.115 -0.651 7.574 1.00 0.00 N ATOM 1504 CA LEU A 109 7.157 -1.288 6.656 1.00 0.00 C ATOM 1505 C LEU A 109 7.824 -2.334 5.746 1.00 0.00 C ATOM 1506 O LEU A 109 7.837 -2.282 4.517 1.00 0.00 O ATOM 1507 CB LEU A 109 6.284 -0.278 5.907 1.00 0.00 C ATOM 1508 CG LEU A 109 7.094 0.780 5.157 1.00 0.00 C ATOM 1509 CD1 LEU A 109 6.353 1.173 3.883 1.00 0.00 C ATOM 1510 CD2 LEU A 109 7.316 2.013 6.030 1.00 0.00 C ATOM 0 H LEU A 109 8.655 0.100 7.145 1.00 0.00 H new ATOM 0 HA LEU A 109 6.458 -1.849 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.650 -0.811 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.622 0.217 6.617 1.00 0.00 H new ATOM 0 HG LEU A 109 8.068 0.362 4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.928 1.927 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.226 0.295 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.375 1.578 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.894 2.752 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.353 2.440 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.860 1.728 6.931 1.00 0.00 H new ATOM 1522 N THR A 110 8.658 -3.080 6.456 1.00 0.00 N ATOM 1523 CA THR A 110 9.398 -4.264 6.009 1.00 0.00 C ATOM 1524 C THR A 110 9.415 -5.234 7.189 1.00 0.00 C ATOM 1525 O THR A 110 9.001 -6.386 7.103 1.00 0.00 O ATOM 1526 CB THR A 110 10.822 -3.953 5.531 1.00 0.00 C ATOM 1527 OG1 THR A 110 10.771 -3.053 4.428 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.492 -5.253 5.087 1.00 0.00 C ATOM 0 H THR A 110 8.854 -2.862 7.433 1.00 0.00 H new ATOM 0 HA THR A 110 8.903 -4.691 5.137 1.00 0.00 H new ATOM 0 HB THR A 110 11.389 -3.498 6.343 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.623 -2.141 4.756 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.505 -5.042 4.745 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.529 -5.948 5.926 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.920 -5.698 4.273 1.00 0.00 H new ATOM 1536 N ASP A 111 9.860 -4.657 8.304 1.00 0.00 N ATOM 1537 CA ASP A 111 9.813 -5.232 9.663 1.00 0.00 C ATOM 1538 C ASP A 111 8.430 -5.862 9.903 1.00 0.00 C ATOM 1539 O ASP A 111 8.306 -7.059 10.168 1.00 0.00 O ATOM 1540 CB ASP A 111 10.058 -4.057 10.618 1.00 0.00 C ATOM 1541 CG ASP A 111 10.060 -4.465 12.098 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.006 -4.915 12.589 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.095 -4.234 12.771 1.00 0.00 O ATOM 0 H ASP A 111 10.285 -3.730 8.292 1.00 0.00 H new ATOM 0 HA ASP A 111 10.556 -6.016 9.812 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.014 -3.594 10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.289 -3.302 10.458 1.00 0.00 H new ATOM 1549 N SER A 112 7.418 -5.073 9.536 1.00 0.00 N ATOM 1550 CA SER A 112 5.994 -5.439 9.597 1.00 0.00 C ATOM 1551 C SER A 112 5.505 -6.641 8.783 1.00 0.00 C ATOM 1552 O SER A 112 4.396 -7.131 8.995 1.00 0.00 O ATOM 1553 CB SER A 112 5.190 -4.210 9.210 1.00 0.00 C ATOM 1554 OG SER A 112 5.516 -3.868 7.868 1.00 0.00 O ATOM 0 H SER A 112 7.568 -4.130 9.176 1.00 0.00 H new ATOM 0 HA SER A 112 5.846 -5.778 10.623 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.122 -4.410 9.302 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.418 -3.381 9.879 1.00 0.00 H new ATOM 0 HG SER A 112 4.693 -3.695 7.365 1.00 0.00 H new ATOM 1560 N ILE A 113 6.268 -6.982 7.756 1.00 0.00 N ATOM 1561 CA ILE A 113 6.032 -8.172 6.921 1.00 0.00 C ATOM 1562 C ILE A 113 6.784 -9.349 7.551 1.00 0.00 C ATOM 1563 O ILE A 113 6.220 -10.412 7.813 1.00 0.00 O ATOM 1564 CB ILE A 113 6.521 -8.009 5.480 1.00 0.00 C ATOM 1565 CG1 ILE A 113 5.677 -6.966 4.784 1.00 0.00 C ATOM 1566 CG2 ILE A 113 6.469 -9.278 4.639 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.310 -5.606 4.977 1.00 0.00 C ATOM 0 H ILE A 113 7.082 -6.439 7.467 1.00 0.00 H new ATOM 0 HA ILE A 113 4.955 -8.334 6.880 1.00 0.00 H new ATOM 0 HB ILE A 113 7.569 -7.722 5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.596 -7.196 3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.665 -6.970 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.835 -9.064 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.094 -10.044 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.441 -9.635 4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.706 -4.849 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.368 -5.379 6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.314 -5.608 4.552 1.00 0.00 H new ATOM 1579 N GLU A 114 8.085 -9.092 7.673 1.00 0.00 N ATOM 1580 CA GLU A 114 9.081 -10.015 8.250 1.00 0.00 C ATOM 1581 C GLU A 114 8.623 -10.674 9.557 1.00 0.00 C ATOM 1582 O GLU A 114 8.909 -11.845 9.805 1.00 0.00 O ATOM 1583 CB GLU A 114 10.407 -9.291 8.500 1.00 0.00 C ATOM 1584 CG GLU A 114 11.123 -9.019 7.177 1.00 0.00 C ATOM 1585 CD GLU A 114 12.362 -8.144 7.368 1.00 0.00 C ATOM 1586 OE1 GLU A 114 13.474 -8.667 7.098 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.173 -6.971 7.749 1.00 0.00 O ATOM 0 H GLU A 114 8.495 -8.210 7.366 1.00 0.00 H new ATOM 0 HA GLU A 114 9.209 -10.806 7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.223 -8.352 9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.042 -9.896 9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.414 -9.965 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.436 -8.530 6.486 1.00 0.00 H new ATOM 1595 N LYS A 115 7.772 -9.920 10.239 1.00 0.00 N ATOM 1596 CA LYS A 115 6.990 -10.292 11.411 1.00 0.00 C ATOM 1597 C LYS A 115 6.352 -11.694 11.275 1.00 0.00 C ATOM 1598 O LYS A 115 6.532 -12.534 12.155 1.00 0.00 O ATOM 1599 CB LYS A 115 5.933 -9.191 11.443 1.00 0.00 C ATOM 1600 CG LYS A 115 5.050 -9.181 12.694 1.00 0.00 C ATOM 1601 CD LYS A 115 3.932 -8.149 12.512 1.00 0.00 C ATOM 1602 CE LYS A 115 4.463 -6.713 12.578 1.00 0.00 C ATOM 1603 NZ LYS A 115 4.512 -6.299 13.979 1.00 0.00 N ATOM 0 H LYS A 115 7.596 -8.953 9.965 1.00 0.00 H new ATOM 0 HA LYS A 115 7.584 -10.365 12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.432 -8.226 11.361 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.294 -9.295 10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.624 -10.170 12.861 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.647 -8.938 13.573 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.441 -8.311 11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.176 -8.292 13.284 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.456 -6.656 12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 115 3.818 -6.044 12.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 4.871 -5.325 14.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 3.557 -6.343 14.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 5.143 -6.935 14.507 1.00 0.00 H new ATOM 1617 N TYR A 116 5.669 -11.927 10.149 1.00 0.00 N ATOM 1618 CA TYR A 116 5.005 -13.215 9.837 1.00 0.00 C ATOM 1619 C TYR A 116 5.651 -14.029 8.704 1.00 0.00 C ATOM 1620 O TYR A 116 5.594 -15.251 8.708 1.00 0.00 O ATOM 1621 CB TYR A 116 3.493 -13.034 9.632 1.00 0.00 C ATOM 1622 CG TYR A 116 3.126 -11.817 8.784 1.00 0.00 C ATOM 1623 CD1 TYR A 116 3.257 -11.882 7.378 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.779 -10.635 9.466 1.00 0.00 C ATOM 1625 CE1 TYR A 116 3.097 -10.701 6.632 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.612 -9.460 8.716 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.807 -9.511 7.328 1.00 0.00 C ATOM 1628 OH TYR A 116 2.917 -8.332 6.667 1.00 0.00 O ATOM 0 H TYR A 116 5.556 -11.226 9.417 1.00 0.00 H new ATOM 0 HA TYR A 116 5.161 -13.829 10.724 1.00 0.00 H new ATOM 0 HB2 TYR A 116 3.090 -13.930 9.159 1.00 0.00 H new ATOM 0 HB3 TYR A 116 3.012 -12.945 10.606 1.00 0.00 H new ATOM 0 HD1 TYR A 116 3.475 -12.819 6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.645 -10.632 10.538 1.00 0.00 H new ATOM 0 HE1 TYR A 116 3.194 -10.706 5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.338 -8.534 9.199 1.00 0.00 H new ATOM 0 HH TYR A 116 2.545 -7.612 7.218 1.00 0.00 H new ATOM 1638 N LEU A 117 6.285 -13.323 7.759 1.00 0.00 N ATOM 1639 CA LEU A 117 7.142 -13.902 6.704 1.00 0.00 C ATOM 1640 C LEU A 117 8.216 -14.835 7.285 1.00 0.00 C ATOM 1641 O LEU A 117 8.612 -15.821 6.673 1.00 0.00 O ATOM 1642 CB LEU A 117 7.746 -12.680 5.998 1.00 0.00 C ATOM 1643 CG LEU A 117 8.891 -12.927 5.007 1.00 0.00 C ATOM 1644 CD1 LEU A 117 8.417 -13.671 3.757 1.00 0.00 C ATOM 1645 CD2 LEU A 117 9.442 -11.568 4.595 1.00 0.00 C ATOM 0 H LEU A 117 6.218 -12.307 7.701 1.00 0.00 H new ATOM 0 HA LEU A 117 6.583 -14.535 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.944 -12.170 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.107 -11.994 6.764 1.00 0.00 H new ATOM 0 HG LEU A 117 9.648 -13.545 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.260 -13.824 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.002 -14.637 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.651 -13.082 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.260 -11.706 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.652 -10.982 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.809 -11.042 5.476 1.00 0.00 H new