USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 674 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 25 SER OG : rot 37:sc= -0.951! USER MOD Set 1.2: A 35 LYS NZ :NH3+ 161:sc= -0.0915 (180deg=-0.615) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 149:sc= 0.902 (180deg=-0.641) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 147:sc= 0.58 USER MOD Single : A 23 SER OG : rot 180:sc=-0.000367 USER MOD Single : A 28 ASN : amide:sc= 0.605 K(o=0.61,f=-1.6) USER MOD Single : A 32 SER OG : rot -97:sc= -3.2! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -2.73 F(o=-7.7!,f=-2.7) USER MOD Single : A 43 SER OG : rot 94:sc= -2.09! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 66:sc= -5.65! USER MOD Single : A 61 HIS :FLIP no HD1:sc= -3.16! C(o=-5.9!,f=-3.2!) USER MOD Single : A 64 MET CE :methyl 152:sc= -4.57! (180deg=-6.26!) USER MOD Single : A 74 MET CE :methyl -137:sc= -3.75! (180deg=-7.82!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -158:sc= -0.158 (180deg=-1.36) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 7 -12.172 -1.888 17.246 1.00 0.00 N ATOM 16 CA TRP A 7 -11.209 -1.469 16.188 1.00 0.00 C ATOM 17 C TRP A 7 -10.307 -2.644 15.802 1.00 0.00 C ATOM 18 O TRP A 7 -9.648 -3.237 16.631 1.00 0.00 O ATOM 19 CB TRP A 7 -10.382 -0.343 16.812 1.00 0.00 C ATOM 20 CG TRP A 7 -9.458 0.216 15.782 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.600 0.047 14.448 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.261 1.027 15.966 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.567 0.699 13.801 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.715 1.318 14.693 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.600 1.532 17.101 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.557 2.082 14.550 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.433 2.303 16.960 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.914 2.577 15.687 1.00 0.00 C ATOM 0 HA TRP A 7 -11.716 -1.141 15.281 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -11.039 0.440 17.191 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.813 -0.721 17.661 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.392 -0.507 13.966 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.449 0.720 12.788 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.992 1.326 18.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.160 2.289 13.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.933 2.686 17.837 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.017 3.171 15.585 1.00 0.00 H new ATOM 39 N ALA A 8 -10.282 -2.983 14.545 1.00 0.00 N ATOM 40 CA ALA A 8 -9.435 -4.117 14.087 1.00 0.00 C ATOM 41 C ALA A 8 -8.031 -4.018 14.686 1.00 0.00 C ATOM 42 O ALA A 8 -7.328 -5.001 14.812 1.00 0.00 O ATOM 43 CB ALA A 8 -9.372 -3.968 12.569 1.00 0.00 C ATOM 0 H ALA A 8 -10.816 -2.520 13.810 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.841 -5.081 14.394 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.763 -4.769 12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.379 -4.024 12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.929 -3.005 12.316 1.00 0.00 H new ATOM 49 N VAL A 9 -7.613 -2.837 15.044 1.00 0.00 N ATOM 50 CA VAL A 9 -6.247 -2.674 15.621 1.00 0.00 C ATOM 51 C VAL A 9 -6.317 -2.488 17.142 1.00 0.00 C ATOM 52 O VAL A 9 -7.067 -1.678 17.647 1.00 0.00 O ATOM 53 CB VAL A 9 -5.681 -1.424 14.946 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.341 -1.054 15.586 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.470 -1.702 13.456 1.00 0.00 C ATOM 0 H VAL A 9 -8.156 -1.977 14.963 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.622 -3.550 15.448 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.382 -0.599 15.070 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.941 -0.163 15.103 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.487 -0.856 16.648 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.639 -1.879 15.464 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.067 -0.812 12.973 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.770 -2.529 13.336 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.423 -1.964 12.996 1.00 0.00 H new ATOM 65 N LYS A 10 -5.526 -3.231 17.869 1.00 0.00 N ATOM 66 CA LYS A 10 -5.524 -3.106 19.354 1.00 0.00 C ATOM 67 C LYS A 10 -4.427 -2.116 19.771 1.00 0.00 C ATOM 68 O LYS A 10 -3.670 -1.662 18.935 1.00 0.00 O ATOM 69 CB LYS A 10 -5.214 -4.522 19.855 1.00 0.00 C ATOM 70 CG LYS A 10 -6.051 -5.540 19.073 1.00 0.00 C ATOM 71 CD LYS A 10 -6.775 -6.467 20.053 1.00 0.00 C ATOM 72 CE LYS A 10 -8.191 -6.750 19.542 1.00 0.00 C ATOM 73 NZ LYS A 10 -9.086 -6.425 20.687 1.00 0.00 N ATOM 0 H LYS A 10 -4.877 -3.923 17.495 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.464 -2.734 19.763 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.153 -4.738 19.732 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.433 -4.598 20.920 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.775 -5.024 18.442 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.410 -6.122 18.411 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.223 -7.401 20.161 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.819 -6.006 21.040 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.426 -6.138 18.671 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.300 -7.791 19.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.075 -6.594 20.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.844 -7.028 21.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.965 -5.426 20.949 1.00 0.00 H new ATOM 87 N PRO A 11 -4.364 -1.806 21.041 1.00 0.00 N ATOM 88 CA PRO A 11 -3.331 -0.858 21.527 1.00 0.00 C ATOM 89 C PRO A 11 -1.939 -1.464 21.344 1.00 0.00 C ATOM 90 O PRO A 11 -0.996 -0.781 20.996 1.00 0.00 O ATOM 91 CB PRO A 11 -3.679 -0.666 23.002 1.00 0.00 C ATOM 92 CG PRO A 11 -4.448 -1.891 23.370 1.00 0.00 C ATOM 93 CD PRO A 11 -5.212 -2.294 22.136 1.00 0.00 C ATOM 0 HA PRO A 11 -3.317 0.089 20.987 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.781 -0.564 23.611 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.272 0.235 23.155 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.779 -2.689 23.691 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.126 -1.690 24.200 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.354 -3.374 22.085 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.203 -1.841 22.110 1.00 0.00 H new ATOM 101 N GLU A 12 -1.806 -2.744 21.554 1.00 0.00 N ATOM 102 CA GLU A 12 -0.476 -3.388 21.366 1.00 0.00 C ATOM 103 C GLU A 12 -0.076 -3.296 19.893 1.00 0.00 C ATOM 104 O GLU A 12 1.090 -3.288 19.553 1.00 0.00 O ATOM 105 CB GLU A 12 -0.672 -4.845 21.784 1.00 0.00 C ATOM 106 CG GLU A 12 -1.790 -5.468 20.946 1.00 0.00 C ATOM 107 CD GLU A 12 -1.669 -6.992 20.980 1.00 0.00 C ATOM 108 OE1 GLU A 12 -0.642 -7.475 21.426 1.00 0.00 O ATOM 109 OE2 GLU A 12 -2.607 -7.651 20.561 1.00 0.00 O ATOM 0 H GLU A 12 -2.557 -3.370 21.846 1.00 0.00 H new ATOM 0 HA GLU A 12 0.311 -2.911 21.950 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.255 -5.402 21.646 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.923 -4.900 22.843 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.762 -5.162 21.333 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.729 -5.111 19.918 1.00 0.00 H new ATOM 116 N ASP A 13 -1.041 -3.205 19.019 1.00 0.00 N ATOM 117 CA ASP A 13 -0.729 -3.088 17.570 1.00 0.00 C ATOM 118 C ASP A 13 -0.453 -1.625 17.243 1.00 0.00 C ATOM 119 O ASP A 13 0.426 -1.302 16.471 1.00 0.00 O ATOM 120 CB ASP A 13 -1.985 -3.577 16.848 1.00 0.00 C ATOM 121 CG ASP A 13 -1.698 -4.923 16.179 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.939 -5.693 16.744 1.00 0.00 O ATOM 123 OD2 ASP A 13 -2.242 -5.160 15.113 1.00 0.00 O ATOM 0 H ASP A 13 -2.035 -3.207 19.249 1.00 0.00 H new ATOM 0 HA ASP A 13 0.146 -3.666 17.274 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.808 -3.679 17.556 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.296 -2.846 16.101 1.00 0.00 H new ATOM 128 N LYS A 14 -1.193 -0.738 17.847 1.00 0.00 N ATOM 129 CA LYS A 14 -0.976 0.712 17.596 1.00 0.00 C ATOM 130 C LYS A 14 0.317 1.155 18.283 1.00 0.00 C ATOM 131 O LYS A 14 0.883 2.184 17.971 1.00 0.00 O ATOM 132 CB LYS A 14 -2.189 1.406 18.218 1.00 0.00 C ATOM 133 CG LYS A 14 -1.994 2.924 18.182 1.00 0.00 C ATOM 134 CD LYS A 14 -2.761 3.514 16.997 1.00 0.00 C ATOM 135 CE LYS A 14 -2.832 5.036 17.145 1.00 0.00 C ATOM 136 NZ LYS A 14 -3.915 5.275 18.140 1.00 0.00 N ATOM 0 H LYS A 14 -1.941 -0.956 18.505 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.879 0.951 16.537 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.094 1.134 17.674 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.323 1.072 19.247 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.346 3.368 19.113 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.934 3.162 18.096 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.266 3.251 16.062 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.766 3.094 16.955 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.882 5.444 17.490 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.058 5.515 16.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.706 6.139 18.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.823 5.387 17.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.973 4.466 18.791 1.00 0.00 H new ATOM 150 N ALA A 15 0.799 0.368 19.203 1.00 0.00 N ATOM 151 CA ALA A 15 2.068 0.726 19.898 1.00 0.00 C ATOM 152 C ALA A 15 3.225 0.498 18.935 1.00 0.00 C ATOM 153 O ALA A 15 4.169 1.262 18.874 1.00 0.00 O ATOM 154 CB ALA A 15 2.158 -0.223 21.093 1.00 0.00 C ATOM 0 H ALA A 15 0.370 -0.507 19.504 1.00 0.00 H new ATOM 0 HA ALA A 15 2.102 1.766 20.224 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.070 -0.017 21.653 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.294 -0.076 21.740 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.175 -1.254 20.739 1.00 0.00 H new ATOM 160 N LYS A 16 3.132 -0.541 18.157 1.00 0.00 N ATOM 161 CA LYS A 16 4.192 -0.832 17.155 1.00 0.00 C ATOM 162 C LYS A 16 3.928 0.054 15.957 1.00 0.00 C ATOM 163 O LYS A 16 4.824 0.623 15.366 1.00 0.00 O ATOM 164 CB LYS A 16 4.016 -2.310 16.796 1.00 0.00 C ATOM 165 CG LYS A 16 3.585 -3.079 18.041 1.00 0.00 C ATOM 166 CD LYS A 16 4.373 -4.386 18.147 1.00 0.00 C ATOM 167 CE LYS A 16 3.468 -5.564 17.780 1.00 0.00 C ATOM 168 NZ LYS A 16 4.368 -6.750 17.763 1.00 0.00 N ATOM 0 H LYS A 16 2.360 -1.207 18.172 1.00 0.00 H new ATOM 0 HA LYS A 16 5.205 -0.646 17.511 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.269 -2.419 16.009 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.950 -2.716 16.408 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.752 -2.471 18.930 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.517 -3.291 17.996 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.236 -4.357 17.482 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.755 -4.510 19.160 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.666 -5.687 18.508 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.997 -5.412 16.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.819 -7.599 17.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.117 -6.607 17.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.797 -6.874 18.702 1.00 0.00 H new ATOM 182 N TYR A 17 2.678 0.210 15.627 1.00 0.00 N ATOM 183 CA TYR A 17 2.322 1.098 14.504 1.00 0.00 C ATOM 184 C TYR A 17 2.685 2.516 14.917 1.00 0.00 C ATOM 185 O TYR A 17 2.890 3.389 14.100 1.00 0.00 O ATOM 186 CB TYR A 17 0.809 0.985 14.344 1.00 0.00 C ATOM 187 CG TYR A 17 0.391 -0.443 14.066 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.342 -1.469 13.977 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.967 -0.734 13.889 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.931 -2.782 13.717 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.378 -2.045 13.627 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.429 -3.070 13.541 1.00 0.00 C ATOM 193 OH TYR A 17 -0.833 -4.363 13.281 1.00 0.00 O ATOM 0 H TYR A 17 1.891 -0.243 16.091 1.00 0.00 H new ATOM 0 HA TYR A 17 2.834 0.842 13.576 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.318 1.340 15.250 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.478 1.628 13.529 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.391 -1.247 14.109 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.700 0.057 13.955 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.663 -3.574 13.652 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.426 -2.266 13.491 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.712 -4.518 13.685 1.00 0.00 H new ATOM 203 N ASP A 18 2.763 2.741 16.205 1.00 0.00 N ATOM 204 CA ASP A 18 3.112 4.100 16.702 1.00 0.00 C ATOM 205 C ASP A 18 4.630 4.254 16.751 1.00 0.00 C ATOM 206 O ASP A 18 5.150 5.350 16.825 1.00 0.00 O ATOM 207 CB ASP A 18 2.512 4.181 18.106 1.00 0.00 C ATOM 208 CG ASP A 18 3.123 5.369 18.852 1.00 0.00 C ATOM 209 OD1 ASP A 18 3.470 6.339 18.198 1.00 0.00 O ATOM 210 OD2 ASP A 18 3.235 5.290 20.064 1.00 0.00 O ATOM 0 H ASP A 18 2.600 2.042 16.929 1.00 0.00 H new ATOM 0 HA ASP A 18 2.729 4.892 16.059 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.430 4.294 18.045 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.706 3.257 18.650 1.00 0.00 H new ATOM 215 N ALA A 19 5.347 3.167 16.677 1.00 0.00 N ATOM 216 CA ALA A 19 6.831 3.265 16.679 1.00 0.00 C ATOM 217 C ALA A 19 7.278 3.382 15.233 1.00 0.00 C ATOM 218 O ALA A 19 8.284 3.981 14.910 1.00 0.00 O ATOM 219 CB ALA A 19 7.329 1.962 17.301 1.00 0.00 C ATOM 0 H ALA A 19 4.971 2.221 16.616 1.00 0.00 H new ATOM 0 HA ALA A 19 7.214 4.121 17.235 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.419 1.967 17.333 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.936 1.869 18.314 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.988 1.119 16.701 1.00 0.00 H new ATOM 225 N ILE A 20 6.492 2.827 14.359 1.00 0.00 N ATOM 226 CA ILE A 20 6.787 2.901 12.914 1.00 0.00 C ATOM 227 C ILE A 20 6.274 4.243 12.398 1.00 0.00 C ATOM 228 O ILE A 20 6.836 4.840 11.503 1.00 0.00 O ATOM 229 CB ILE A 20 5.995 1.738 12.322 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.737 0.426 12.582 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.824 1.941 10.824 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.733 -0.729 12.605 1.00 0.00 C ATOM 0 H ILE A 20 5.641 2.316 14.595 1.00 0.00 H new ATOM 0 HA ILE A 20 7.845 2.834 12.660 1.00 0.00 H new ATOM 0 HB ILE A 20 5.013 1.697 12.792 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.484 0.258 11.806 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.270 0.478 13.532 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.258 1.108 10.406 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.287 2.872 10.642 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.804 1.988 10.349 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.260 -1.665 12.790 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.003 -0.561 13.397 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.221 -0.785 11.645 1.00 0.00 H new ATOM 244 N PHE A 21 5.215 4.727 12.990 1.00 0.00 N ATOM 245 CA PHE A 21 4.653 6.041 12.581 1.00 0.00 C ATOM 246 C PHE A 21 5.566 7.151 13.112 1.00 0.00 C ATOM 247 O PHE A 21 5.845 8.126 12.441 1.00 0.00 O ATOM 248 CB PHE A 21 3.262 6.082 13.236 1.00 0.00 C ATOM 249 CG PHE A 21 2.902 7.491 13.650 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.483 8.052 14.793 1.00 0.00 C ATOM 251 CD2 PHE A 21 1.984 8.233 12.896 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.150 9.353 15.181 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.651 9.535 13.285 1.00 0.00 C ATOM 254 CZ PHE A 21 2.234 10.095 14.429 1.00 0.00 C ATOM 0 H PHE A 21 4.713 4.262 13.746 1.00 0.00 H new ATOM 0 HA PHE A 21 4.581 6.178 11.502 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.516 5.702 12.538 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.246 5.427 14.107 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.189 7.479 15.376 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.534 7.800 12.015 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.601 9.785 16.062 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.944 10.108 12.703 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.976 11.100 14.730 1.00 0.00 H new ATOM 264 N ASP A 22 6.041 6.990 14.313 1.00 0.00 N ATOM 265 CA ASP A 22 6.947 8.009 14.909 1.00 0.00 C ATOM 266 C ASP A 22 8.389 7.743 14.469 1.00 0.00 C ATOM 267 O ASP A 22 9.299 8.471 14.814 1.00 0.00 O ATOM 268 CB ASP A 22 6.798 7.833 16.421 1.00 0.00 C ATOM 269 CG ASP A 22 7.969 8.515 17.134 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.371 9.577 16.688 1.00 0.00 O ATOM 271 OD2 ASP A 22 8.444 7.962 18.113 1.00 0.00 O ATOM 0 H ASP A 22 5.839 6.190 14.913 1.00 0.00 H new ATOM 0 HA ASP A 22 6.701 9.024 14.596 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.854 8.263 16.756 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.773 6.773 16.673 1.00 0.00 H new ATOM 276 N SER A 23 8.599 6.714 13.691 1.00 0.00 N ATOM 277 CA SER A 23 9.975 6.410 13.207 1.00 0.00 C ATOM 278 C SER A 23 10.217 7.153 11.893 1.00 0.00 C ATOM 279 O SER A 23 11.312 7.181 11.366 1.00 0.00 O ATOM 280 CB SER A 23 9.994 4.899 12.986 1.00 0.00 C ATOM 281 OG SER A 23 10.651 4.611 11.758 1.00 0.00 O ATOM 0 H SER A 23 7.875 6.071 13.370 1.00 0.00 H new ATOM 0 HA SER A 23 10.751 6.719 13.907 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.508 4.406 13.811 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.976 4.510 12.967 1.00 0.00 H new ATOM 0 HG SER A 23 10.666 3.642 11.614 1.00 0.00 H new ATOM 287 N LEU A 24 9.189 7.765 11.374 1.00 0.00 N ATOM 288 CA LEU A 24 9.313 8.532 10.102 1.00 0.00 C ATOM 289 C LEU A 24 9.258 10.025 10.416 1.00 0.00 C ATOM 290 O LEU A 24 9.468 10.860 9.558 1.00 0.00 O ATOM 291 CB LEU A 24 8.087 8.148 9.260 1.00 0.00 C ATOM 292 CG LEU A 24 7.634 6.723 9.579 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.300 6.446 8.884 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.684 5.732 9.078 1.00 0.00 C ATOM 0 H LEU A 24 8.255 7.766 11.783 1.00 0.00 H new ATOM 0 HA LEU A 24 10.246 8.315 9.582 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.273 8.846 9.456 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.328 8.229 8.200 1.00 0.00 H new ATOM 0 HG LEU A 24 7.513 6.612 10.657 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.976 5.430 9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.551 7.154 9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.421 6.556 7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.362 4.716 9.305 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.804 5.843 8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.636 5.930 9.571 1.00 0.00 H new ATOM 306 N SER A 25 8.945 10.353 11.646 1.00 0.00 N ATOM 307 CA SER A 25 8.834 11.786 12.071 1.00 0.00 C ATOM 308 C SER A 25 7.454 12.324 11.679 1.00 0.00 C ATOM 309 O SER A 25 7.234 12.746 10.561 1.00 0.00 O ATOM 310 CB SER A 25 9.964 12.542 11.356 1.00 0.00 C ATOM 311 OG SER A 25 9.429 13.310 10.285 1.00 0.00 O ATOM 0 H SER A 25 8.758 9.677 12.387 1.00 0.00 H new ATOM 0 HA SER A 25 8.932 11.907 13.150 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.480 13.194 12.061 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.702 11.836 10.976 1.00 0.00 H new ATOM 0 HG SER A 25 8.560 13.679 10.549 1.00 0.00 H new ATOM 317 N PRO A 26 6.559 12.265 12.625 1.00 0.00 N ATOM 318 CA PRO A 26 5.171 12.729 12.397 1.00 0.00 C ATOM 319 C PRO A 26 5.106 14.255 12.368 1.00 0.00 C ATOM 320 O PRO A 26 5.871 14.938 13.018 1.00 0.00 O ATOM 321 CB PRO A 26 4.409 12.187 13.599 1.00 0.00 C ATOM 322 CG PRO A 26 5.439 12.031 14.671 1.00 0.00 C ATOM 323 CD PRO A 26 6.755 11.763 13.988 1.00 0.00 C ATOM 0 HA PRO A 26 4.765 12.389 11.444 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.619 12.872 13.907 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.933 11.234 13.368 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.499 12.932 15.281 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.178 11.210 15.339 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.576 12.277 14.488 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.996 10.700 13.991 1.00 0.00 H new ATOM 331 N VAL A 27 4.180 14.785 11.629 1.00 0.00 N ATOM 332 CA VAL A 27 4.031 16.266 11.558 1.00 0.00 C ATOM 333 C VAL A 27 2.646 16.652 12.074 1.00 0.00 C ATOM 334 O VAL A 27 1.655 16.501 11.390 1.00 0.00 O ATOM 335 CB VAL A 27 4.182 16.618 10.078 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.161 18.139 9.911 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.514 16.066 9.561 1.00 0.00 C ATOM 0 H VAL A 27 3.514 14.256 11.066 1.00 0.00 H new ATOM 0 HA VAL A 27 4.766 16.797 12.163 1.00 0.00 H new ATOM 0 HB VAL A 27 3.360 16.180 9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.269 18.391 8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.215 18.533 10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.984 18.578 10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.626 16.315 8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.335 16.507 10.127 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.531 14.983 9.682 1.00 0.00 H new ATOM 347 N ASN A 28 2.566 17.120 13.290 1.00 0.00 N ATOM 348 CA ASN A 28 1.239 17.482 13.860 1.00 0.00 C ATOM 349 C ASN A 28 0.394 16.213 13.993 1.00 0.00 C ATOM 350 O ASN A 28 -0.819 16.248 13.958 1.00 0.00 O ATOM 351 CB ASN A 28 0.615 18.453 12.855 1.00 0.00 C ATOM 352 CG ASN A 28 -0.536 19.209 13.523 1.00 0.00 C ATOM 353 OD1 ASN A 28 -0.527 20.423 13.586 1.00 0.00 O ATOM 354 ND2 ASN A 28 -1.535 18.539 14.025 1.00 0.00 N ATOM 0 H ASN A 28 3.361 17.267 13.912 1.00 0.00 H new ATOM 0 HA ASN A 28 1.310 17.936 14.848 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.367 19.156 12.498 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.250 17.908 11.985 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.308 19.033 14.470 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.544 17.520 13.973 1.00 0.00 H new ATOM 361 N GLY A 29 1.036 15.084 14.135 1.00 0.00 N ATOM 362 CA GLY A 29 0.282 13.806 14.259 1.00 0.00 C ATOM 363 C GLY A 29 -0.039 13.282 12.860 1.00 0.00 C ATOM 364 O GLY A 29 -1.084 12.710 12.621 1.00 0.00 O ATOM 0 H GLY A 29 2.051 14.993 14.170 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.871 13.073 14.810 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.638 13.964 14.822 1.00 0.00 H new ATOM 368 N PHE A 30 0.858 13.480 11.937 1.00 0.00 N ATOM 369 CA PHE A 30 0.623 13.005 10.546 1.00 0.00 C ATOM 370 C PHE A 30 1.942 12.659 9.868 1.00 0.00 C ATOM 371 O PHE A 30 2.998 13.125 10.250 1.00 0.00 O ATOM 372 CB PHE A 30 -0.036 14.180 9.826 1.00 0.00 C ATOM 373 CG PHE A 30 -1.392 14.415 10.426 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.466 13.612 10.041 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.571 15.430 11.371 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.730 13.823 10.604 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.832 15.642 11.934 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.914 14.839 11.552 1.00 0.00 C ATOM 0 H PHE A 30 1.749 13.953 12.087 1.00 0.00 H new ATOM 0 HA PHE A 30 0.005 12.107 10.527 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.579 15.075 9.922 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.126 13.968 8.761 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.322 12.830 9.310 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.736 16.049 11.665 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.563 13.203 10.308 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.972 16.425 12.664 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.889 15.002 11.987 1.00 0.00 H new ATOM 388 N LEU A 31 1.880 11.864 8.845 1.00 0.00 N ATOM 389 CA LEU A 31 3.119 11.502 8.110 1.00 0.00 C ATOM 390 C LEU A 31 2.854 11.605 6.618 1.00 0.00 C ATOM 391 O LEU A 31 1.896 11.067 6.111 1.00 0.00 O ATOM 392 CB LEU A 31 3.440 10.066 8.495 1.00 0.00 C ATOM 393 CG LEU A 31 3.948 10.033 9.935 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.616 8.681 10.565 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.465 10.247 9.937 1.00 0.00 C ATOM 0 H LEU A 31 1.023 11.447 8.483 1.00 0.00 H new ATOM 0 HA LEU A 31 3.951 12.162 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.551 9.443 8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.193 9.656 7.822 1.00 0.00 H new ATOM 0 HG LEU A 31 3.467 10.823 10.513 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.979 8.659 11.592 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.536 8.532 10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.095 7.886 9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.834 10.225 10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.945 9.456 9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.697 11.213 9.489 1.00 0.00 H new ATOM 407 N SER A 32 3.689 12.298 5.915 1.00 0.00 N ATOM 408 CA SER A 32 3.475 12.453 4.451 1.00 0.00 C ATOM 409 C SER A 32 3.796 11.153 3.723 1.00 0.00 C ATOM 410 O SER A 32 4.758 10.479 4.034 1.00 0.00 O ATOM 411 CB SER A 32 4.436 13.556 4.021 1.00 0.00 C ATOM 412 OG SER A 32 5.540 13.594 4.915 1.00 0.00 O ATOM 0 H SER A 32 4.515 12.768 6.286 1.00 0.00 H new ATOM 0 HA SER A 32 2.440 12.699 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.783 13.375 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.924 14.518 4.016 1.00 0.00 H new ATOM 0 HG SER A 32 5.390 14.287 5.591 1.00 0.00 H new ATOM 418 N GLY A 33 2.999 10.797 2.753 1.00 0.00 N ATOM 419 CA GLY A 33 3.265 9.541 1.998 1.00 0.00 C ATOM 420 C GLY A 33 4.763 9.443 1.700 1.00 0.00 C ATOM 421 O GLY A 33 5.333 8.372 1.666 1.00 0.00 O ATOM 0 H GLY A 33 2.177 11.320 2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.940 8.678 2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.695 9.533 1.069 1.00 0.00 H new ATOM 425 N ASP A 34 5.408 10.560 1.498 1.00 0.00 N ATOM 426 CA ASP A 34 6.872 10.536 1.212 1.00 0.00 C ATOM 427 C ASP A 34 7.617 9.835 2.351 1.00 0.00 C ATOM 428 O ASP A 34 8.758 9.441 2.215 1.00 0.00 O ATOM 429 CB ASP A 34 7.282 12.007 1.122 1.00 0.00 C ATOM 430 CG ASP A 34 8.704 12.110 0.566 1.00 0.00 C ATOM 431 OD1 ASP A 34 8.973 11.477 -0.442 1.00 0.00 O ATOM 432 OD2 ASP A 34 9.499 12.824 1.156 1.00 0.00 O ATOM 0 H ASP A 34 4.985 11.488 1.519 1.00 0.00 H new ATOM 0 HA ASP A 34 7.109 9.993 0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.589 12.550 0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.231 12.470 2.107 1.00 0.00 H new ATOM 437 N LYS A 35 6.974 9.672 3.473 1.00 0.00 N ATOM 438 CA LYS A 35 7.633 8.992 4.627 1.00 0.00 C ATOM 439 C LYS A 35 6.950 7.651 4.867 1.00 0.00 C ATOM 440 O LYS A 35 7.573 6.673 5.228 1.00 0.00 O ATOM 441 CB LYS A 35 7.435 9.927 5.826 1.00 0.00 C ATOM 442 CG LYS A 35 7.446 11.382 5.353 1.00 0.00 C ATOM 443 CD LYS A 35 7.163 12.313 6.531 1.00 0.00 C ATOM 444 CE LYS A 35 8.121 11.997 7.680 1.00 0.00 C ATOM 445 NZ LYS A 35 9.471 12.349 7.161 1.00 0.00 N ATOM 0 H LYS A 35 6.017 9.981 3.643 1.00 0.00 H new ATOM 0 HA LYS A 35 8.692 8.799 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.491 9.703 6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.226 9.767 6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.413 11.623 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.696 11.527 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.280 13.352 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.131 12.193 6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.876 12.577 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.068 10.945 7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.128 12.472 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.815 11.587 6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.415 13.235 6.619 1.00 0.00 H new ATOM 459 N VAL A 36 5.667 7.605 4.657 1.00 0.00 N ATOM 460 CA VAL A 36 4.918 6.337 4.854 1.00 0.00 C ATOM 461 C VAL A 36 4.861 5.550 3.546 1.00 0.00 C ATOM 462 O VAL A 36 5.098 4.361 3.515 1.00 0.00 O ATOM 463 CB VAL A 36 3.517 6.770 5.262 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.641 5.533 5.469 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.595 7.578 6.558 1.00 0.00 C ATOM 0 H VAL A 36 5.101 8.398 4.355 1.00 0.00 H new ATOM 0 HA VAL A 36 5.387 5.694 5.599 1.00 0.00 H new ATOM 0 HB VAL A 36 3.080 7.389 4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.638 5.843 5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.589 4.964 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.071 4.910 6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.593 7.890 6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.030 6.962 7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.218 8.459 6.401 1.00 0.00 H new ATOM 475 N LYS A 37 4.545 6.206 2.463 1.00 0.00 N ATOM 476 CA LYS A 37 4.465 5.485 1.162 1.00 0.00 C ATOM 477 C LYS A 37 5.673 4.555 0.983 1.00 0.00 C ATOM 478 O LYS A 37 5.507 3.400 0.644 1.00 0.00 O ATOM 479 CB LYS A 37 4.440 6.574 0.088 1.00 0.00 C ATOM 480 CG LYS A 37 3.954 5.979 -1.235 1.00 0.00 C ATOM 481 CD LYS A 37 4.576 6.750 -2.400 1.00 0.00 C ATOM 482 CE LYS A 37 5.537 5.836 -3.162 1.00 0.00 C ATOM 483 NZ LYS A 37 6.050 6.669 -4.283 1.00 0.00 N ATOM 0 H LYS A 37 4.340 7.204 2.423 1.00 0.00 H new ATOM 0 HA LYS A 37 3.580 4.851 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.783 7.387 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.436 6.999 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.228 4.926 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.867 6.029 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.795 7.112 -3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.108 7.625 -2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.349 5.494 -2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.027 4.947 -3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.717 6.111 -4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.255 6.975 -4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.537 7.505 -3.900 1.00 0.00 H new ATOM 497 N PRO A 38 6.853 5.072 1.231 1.00 0.00 N ATOM 498 CA PRO A 38 8.073 4.236 1.103 1.00 0.00 C ATOM 499 C PRO A 38 8.086 3.185 2.212 1.00 0.00 C ATOM 500 O PRO A 38 8.576 2.088 2.043 1.00 0.00 O ATOM 501 CB PRO A 38 9.216 5.236 1.271 1.00 0.00 C ATOM 502 CG PRO A 38 8.624 6.371 2.040 1.00 0.00 C ATOM 503 CD PRO A 38 7.173 6.447 1.648 1.00 0.00 C ATOM 0 HA PRO A 38 8.140 3.694 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.055 4.791 1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.595 5.569 0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.727 6.208 3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.137 7.305 1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.549 6.768 2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.014 7.159 0.838 1.00 0.00 H new ATOM 511 N VAL A 39 7.534 3.522 3.340 1.00 0.00 N ATOM 512 CA VAL A 39 7.480 2.563 4.478 1.00 0.00 C ATOM 513 C VAL A 39 6.583 1.376 4.109 1.00 0.00 C ATOM 514 O VAL A 39 6.801 0.264 4.547 1.00 0.00 O ATOM 515 CB VAL A 39 6.894 3.382 5.641 1.00 0.00 C ATOM 516 CG1 VAL A 39 6.039 2.496 6.552 1.00 0.00 C ATOM 517 CG2 VAL A 39 8.035 3.991 6.458 1.00 0.00 C ATOM 0 H VAL A 39 7.112 4.432 3.526 1.00 0.00 H new ATOM 0 HA VAL A 39 8.452 2.143 4.738 1.00 0.00 H new ATOM 0 HB VAL A 39 6.265 4.171 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.635 3.096 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.219 2.066 5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.654 1.694 6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.622 4.572 7.283 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.664 3.194 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.633 4.642 5.820 1.00 0.00 H new ATOM 527 N LEU A 40 5.588 1.599 3.295 1.00 0.00 N ATOM 528 CA LEU A 40 4.703 0.471 2.893 1.00 0.00 C ATOM 529 C LEU A 40 5.383 -0.323 1.781 1.00 0.00 C ATOM 530 O LEU A 40 5.010 -1.440 1.480 1.00 0.00 O ATOM 531 CB LEU A 40 3.413 1.120 2.397 1.00 0.00 C ATOM 532 CG LEU A 40 2.923 2.122 3.439 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.509 2.585 3.087 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.919 1.454 4.816 1.00 0.00 C ATOM 0 H LEU A 40 5.351 2.506 2.894 1.00 0.00 H new ATOM 0 HA LEU A 40 4.499 -0.220 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.587 1.622 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.653 0.359 2.221 1.00 0.00 H new ATOM 0 HG LEU A 40 3.587 2.987 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.164 3.300 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.515 3.060 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.838 1.726 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.570 2.165 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.255 0.590 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.929 1.131 5.066 1.00 0.00 H new ATOM 546 N LEU A 41 6.398 0.239 1.184 1.00 0.00 N ATOM 547 CA LEU A 41 7.125 -0.485 0.113 1.00 0.00 C ATOM 548 C LEU A 41 8.019 -1.538 0.758 1.00 0.00 C ATOM 549 O LEU A 41 8.344 -2.548 0.166 1.00 0.00 O ATOM 550 CB LEU A 41 7.970 0.575 -0.590 1.00 0.00 C ATOM 551 CG LEU A 41 7.098 1.372 -1.558 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.880 2.587 -2.061 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.715 0.483 -2.743 1.00 0.00 C ATOM 0 H LEU A 41 6.753 1.171 1.395 1.00 0.00 H new ATOM 0 HA LEU A 41 6.460 -0.988 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.418 1.243 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.789 0.101 -1.130 1.00 0.00 H new ATOM 0 HG LEU A 41 6.195 1.707 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.260 3.158 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.156 3.217 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.782 2.252 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.092 1.049 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.618 0.150 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.161 -0.384 -2.383 1.00 0.00 H new ATOM 565 N ASN A 42 8.417 -1.303 1.979 1.00 0.00 N ATOM 566 CA ASN A 42 9.289 -2.285 2.677 1.00 0.00 C ATOM 567 C ASN A 42 8.548 -3.614 2.857 1.00 0.00 C ATOM 568 O ASN A 42 9.144 -4.639 3.120 1.00 0.00 O ATOM 569 CB ASN A 42 9.591 -1.655 4.038 1.00 0.00 C ATOM 570 CG ASN A 42 10.393 -0.370 3.842 1.00 0.00 C ATOM 571 OD1 ASN A 42 9.756 0.753 3.672 1.00 0.00 O flip ATOM 572 ND2 ASN A 42 11.608 -0.389 3.845 1.00 0.00 N flip ATOM 0 H ASN A 42 8.175 -0.474 2.521 1.00 0.00 H new ATOM 0 HA ASN A 42 10.199 -2.498 2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.661 -1.438 4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.152 -2.355 4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.104 -1.270 3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.132 0.476 3.714 1.00 0.00 H new ATOM 579 N SER A 43 7.249 -3.601 2.721 1.00 0.00 N ATOM 580 CA SER A 43 6.465 -4.861 2.888 1.00 0.00 C ATOM 581 C SER A 43 6.608 -5.745 1.646 1.00 0.00 C ATOM 582 O SER A 43 6.017 -6.802 1.555 1.00 0.00 O ATOM 583 CB SER A 43 5.013 -4.412 3.053 1.00 0.00 C ATOM 584 OG SER A 43 4.965 -3.000 3.216 1.00 0.00 O ATOM 0 H SER A 43 6.696 -2.773 2.501 1.00 0.00 H new ATOM 0 HA SER A 43 6.811 -5.446 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.429 -4.707 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.566 -4.903 3.917 1.00 0.00 H new ATOM 0 HG SER A 43 4.823 -2.575 2.345 1.00 0.00 H new ATOM 590 N LYS A 44 7.383 -5.318 0.688 1.00 0.00 N ATOM 591 CA LYS A 44 7.560 -6.131 -0.552 1.00 0.00 C ATOM 592 C LYS A 44 6.232 -6.233 -1.308 1.00 0.00 C ATOM 593 O LYS A 44 6.086 -7.016 -2.226 1.00 0.00 O ATOM 594 CB LYS A 44 8.017 -7.510 -0.067 1.00 0.00 C ATOM 595 CG LYS A 44 8.612 -8.294 -1.241 1.00 0.00 C ATOM 596 CD LYS A 44 9.235 -9.594 -0.724 1.00 0.00 C ATOM 597 CE LYS A 44 10.575 -9.836 -1.425 1.00 0.00 C ATOM 598 NZ LYS A 44 10.344 -11.018 -2.303 1.00 0.00 N ATOM 0 H LYS A 44 7.903 -4.441 0.709 1.00 0.00 H new ATOM 0 HA LYS A 44 8.282 -5.687 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.759 -7.401 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.174 -8.055 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.836 -8.516 -1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.367 -7.693 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.383 -9.535 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.561 -10.430 -0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.879 -8.966 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.369 -10.030 -0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.219 -11.245 -2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.063 -11.833 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.588 -10.802 -2.984 1.00 0.00 H new ATOM 612 N LEU A 45 5.263 -5.446 -0.927 1.00 0.00 N ATOM 613 CA LEU A 45 3.944 -5.492 -1.623 1.00 0.00 C ATOM 614 C LEU A 45 3.958 -4.562 -2.837 1.00 0.00 C ATOM 615 O LEU A 45 4.755 -3.649 -2.912 1.00 0.00 O ATOM 616 CB LEU A 45 2.934 -5.005 -0.585 1.00 0.00 C ATOM 617 CG LEU A 45 2.513 -6.176 0.302 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.481 -5.695 1.323 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.898 -7.280 -0.564 1.00 0.00 C ATOM 0 H LEU A 45 5.327 -4.773 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 45 3.702 -6.490 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.373 -4.214 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.062 -4.579 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 45 3.386 -6.569 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.180 -6.529 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.918 -4.910 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.608 -5.302 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.598 -8.115 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.025 -6.889 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.633 -7.623 -1.292 1.00 0.00 H new ATOM 631 N PRO A 46 3.069 -4.832 -3.751 1.00 0.00 N ATOM 632 CA PRO A 46 2.973 -4.014 -4.979 1.00 0.00 C ATOM 633 C PRO A 46 2.347 -2.648 -4.677 1.00 0.00 C ATOM 634 O PRO A 46 1.676 -2.462 -3.682 1.00 0.00 O ATOM 635 CB PRO A 46 2.082 -4.847 -5.895 1.00 0.00 C ATOM 636 CG PRO A 46 1.274 -5.714 -4.987 1.00 0.00 C ATOM 637 CD PRO A 46 2.078 -5.911 -3.726 1.00 0.00 C ATOM 0 HA PRO A 46 3.943 -3.796 -5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.440 -4.210 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.678 -5.447 -6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.315 -5.248 -4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.060 -6.672 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.447 -5.850 -2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.557 -6.890 -3.710 1.00 0.00 H new ATOM 645 N VAL A 47 2.577 -1.692 -5.534 1.00 0.00 N ATOM 646 CA VAL A 47 2.021 -0.323 -5.322 1.00 0.00 C ATOM 647 C VAL A 47 0.493 -0.359 -5.237 1.00 0.00 C ATOM 648 O VAL A 47 -0.134 0.610 -4.857 1.00 0.00 O ATOM 649 CB VAL A 47 2.471 0.479 -6.545 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.704 1.801 -6.604 1.00 0.00 C ATOM 651 CG2 VAL A 47 3.971 0.769 -6.440 1.00 0.00 C ATOM 0 H VAL A 47 3.133 -1.801 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 47 2.371 0.116 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 47 2.271 -0.098 -7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.026 2.370 -7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.635 1.599 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.903 2.378 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.293 1.340 -7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.168 1.344 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.521 -0.171 -6.399 1.00 0.00 H new ATOM 661 N ASP A 48 -0.115 -1.466 -5.563 1.00 0.00 N ATOM 662 CA ASP A 48 -1.594 -1.542 -5.470 1.00 0.00 C ATOM 663 C ASP A 48 -1.969 -1.640 -4.003 1.00 0.00 C ATOM 664 O ASP A 48 -2.882 -0.992 -3.531 1.00 0.00 O ATOM 665 CB ASP A 48 -1.980 -2.814 -6.206 1.00 0.00 C ATOM 666 CG ASP A 48 -2.984 -2.483 -7.312 1.00 0.00 C ATOM 667 OD1 ASP A 48 -3.122 -1.313 -7.629 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.598 -3.405 -7.824 1.00 0.00 O ATOM 0 H ASP A 48 0.348 -2.315 -5.888 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.099 -0.676 -5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.093 -3.282 -6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.414 -3.531 -5.510 1.00 0.00 H new ATOM 673 N ILE A 49 -1.240 -2.433 -3.274 1.00 0.00 N ATOM 674 CA ILE A 49 -1.519 -2.559 -1.825 1.00 0.00 C ATOM 675 C ILE A 49 -1.317 -1.196 -1.182 1.00 0.00 C ATOM 676 O ILE A 49 -2.094 -0.749 -0.361 1.00 0.00 O ATOM 677 CB ILE A 49 -0.488 -3.552 -1.296 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.511 -4.821 -2.143 1.00 0.00 C ATOM 679 CG2 ILE A 49 -0.813 -3.902 0.153 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.953 -5.298 -2.326 1.00 0.00 C ATOM 0 H ILE A 49 -0.464 -2.998 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.534 -2.896 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 49 0.503 -3.102 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.056 -4.629 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.081 -5.600 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.076 -4.611 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.789 -2.997 0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.806 -4.348 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.962 -6.204 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.393 -5.508 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.532 -4.522 -2.826 1.00 0.00 H new ATOM 692 N LEU A 50 -0.270 -0.528 -1.577 1.00 0.00 N ATOM 693 CA LEU A 50 0.012 0.821 -1.028 1.00 0.00 C ATOM 694 C LEU A 50 -1.072 1.793 -1.489 1.00 0.00 C ATOM 695 O LEU A 50 -1.315 2.808 -0.868 1.00 0.00 O ATOM 696 CB LEU A 50 1.374 1.209 -1.614 1.00 0.00 C ATOM 697 CG LEU A 50 2.386 0.085 -1.371 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.801 0.618 -1.601 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.261 -0.422 0.068 1.00 0.00 C ATOM 0 H LEU A 50 0.406 -0.864 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 50 0.024 0.841 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.279 1.399 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.727 2.133 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 50 2.186 -0.735 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.523 -0.180 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.893 0.975 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.997 1.439 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.983 -1.221 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.458 0.396 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.253 -0.803 0.233 1.00 0.00 H new ATOM 711 N GLY A 51 -1.738 1.482 -2.569 1.00 0.00 N ATOM 712 CA GLY A 51 -2.817 2.382 -3.054 1.00 0.00 C ATOM 713 C GLY A 51 -4.088 2.068 -2.271 1.00 0.00 C ATOM 714 O GLY A 51 -4.967 2.892 -2.120 1.00 0.00 O ATOM 0 H GLY A 51 -1.580 0.646 -3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.533 3.425 -2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.982 2.236 -4.121 1.00 0.00 H new ATOM 718 N ARG A 52 -4.180 0.872 -1.762 1.00 0.00 N ATOM 719 CA ARG A 52 -5.377 0.479 -0.978 1.00 0.00 C ATOM 720 C ARG A 52 -5.077 0.595 0.510 1.00 0.00 C ATOM 721 O ARG A 52 -5.722 1.333 1.229 1.00 0.00 O ATOM 722 CB ARG A 52 -5.633 -0.974 -1.357 1.00 0.00 C ATOM 723 CG ARG A 52 -7.011 -1.100 -1.999 1.00 0.00 C ATOM 724 CD ARG A 52 -7.464 -2.555 -1.916 1.00 0.00 C ATOM 725 NE ARG A 52 -7.211 -3.110 -3.272 1.00 0.00 N ATOM 726 CZ ARG A 52 -6.010 -3.068 -3.777 1.00 0.00 C ATOM 727 NH1 ARG A 52 -5.168 -4.033 -3.532 1.00 0.00 N ATOM 728 NH2 ARG A 52 -5.652 -2.059 -4.524 1.00 0.00 N ATOM 0 H ARG A 52 -3.470 0.146 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.240 1.112 -1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.865 -1.321 -2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.574 -1.607 -0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.725 -0.453 -1.489 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.973 -0.776 -3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.906 -3.100 -1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.519 -2.626 -1.650 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.976 -3.523 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.450 -4.819 -2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.228 -4.002 -3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.312 -1.304 -4.712 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.712 -2.025 -4.920 1.00 0.00 H new ATOM 742 N VAL A 53 -4.099 -0.125 0.980 1.00 0.00 N ATOM 743 CA VAL A 53 -3.764 -0.040 2.421 1.00 0.00 C ATOM 744 C VAL A 53 -3.709 1.429 2.833 1.00 0.00 C ATOM 745 O VAL A 53 -4.109 1.789 3.918 1.00 0.00 O ATOM 746 CB VAL A 53 -2.396 -0.712 2.564 1.00 0.00 C ATOM 747 CG1 VAL A 53 -1.814 -0.422 3.951 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.559 -2.226 2.390 1.00 0.00 C ATOM 0 H VAL A 53 -3.523 -0.763 0.431 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.501 -0.528 3.059 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.721 -0.320 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.841 -0.903 4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.700 0.654 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.486 -0.810 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.588 -2.710 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.237 -2.609 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.969 -2.437 1.402 1.00 0.00 H new ATOM 758 N TRP A 54 -3.229 2.285 1.969 1.00 0.00 N ATOM 759 CA TRP A 54 -3.167 3.732 2.318 1.00 0.00 C ATOM 760 C TRP A 54 -4.568 4.341 2.295 1.00 0.00 C ATOM 761 O TRP A 54 -5.044 4.874 3.277 1.00 0.00 O ATOM 762 CB TRP A 54 -2.308 4.395 1.245 1.00 0.00 C ATOM 763 CG TRP A 54 -2.412 5.878 1.412 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.480 6.628 1.050 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.445 6.798 1.995 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.228 7.950 1.375 1.00 0.00 N ATOM 767 CE2 TRP A 54 -1.984 8.106 1.953 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.163 6.624 2.545 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.275 9.204 2.444 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.553 7.727 3.039 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.002 9.014 2.987 1.00 0.00 C ATOM 0 H TRP A 54 -2.879 2.045 1.041 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.752 3.877 3.316 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.270 4.074 1.337 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.646 4.100 0.252 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.381 6.256 0.584 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.882 8.715 1.208 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.274 5.637 2.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.707 10.193 2.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.537 7.583 3.461 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.555 9.858 3.367 1.00 0.00 H new ATOM 782 N GLU A 55 -5.223 4.279 1.169 1.00 0.00 N ATOM 783 CA GLU A 55 -6.586 4.870 1.073 1.00 0.00 C ATOM 784 C GLU A 55 -7.408 4.498 2.300 1.00 0.00 C ATOM 785 O GLU A 55 -8.070 5.328 2.892 1.00 0.00 O ATOM 786 CB GLU A 55 -7.197 4.274 -0.194 1.00 0.00 C ATOM 787 CG GLU A 55 -6.521 4.884 -1.423 1.00 0.00 C ATOM 788 CD GLU A 55 -6.870 6.371 -1.514 1.00 0.00 C ATOM 789 OE1 GLU A 55 -8.026 6.674 -1.764 1.00 0.00 O ATOM 790 OE2 GLU A 55 -5.977 7.181 -1.329 1.00 0.00 O ATOM 0 H GLU A 55 -4.874 3.846 0.314 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.561 5.959 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.071 3.191 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.269 4.470 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.440 4.757 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.848 4.367 -2.325 1.00 0.00 H new ATOM 797 N LEU A 56 -7.370 3.261 2.694 1.00 0.00 N ATOM 798 CA LEU A 56 -8.147 2.855 3.892 1.00 0.00 C ATOM 799 C LEU A 56 -7.363 3.213 5.158 1.00 0.00 C ATOM 800 O LEU A 56 -7.906 3.271 6.243 1.00 0.00 O ATOM 801 CB LEU A 56 -8.329 1.342 3.763 1.00 0.00 C ATOM 802 CG LEU A 56 -8.910 1.006 2.385 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.223 -0.247 1.843 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.423 0.752 2.497 1.00 0.00 C ATOM 0 H LEU A 56 -6.838 2.517 2.242 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.110 3.362 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.372 0.838 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.993 0.978 4.547 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.740 1.844 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.632 -0.491 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.152 -0.065 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.394 -1.080 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.826 0.514 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.603 -0.083 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.914 1.645 2.884 1.00 0.00 H new ATOM 816 N SER A 57 -6.091 3.472 5.018 1.00 0.00 N ATOM 817 CA SER A 57 -5.266 3.850 6.202 1.00 0.00 C ATOM 818 C SER A 57 -5.325 5.363 6.401 1.00 0.00 C ATOM 819 O SER A 57 -5.150 5.861 7.494 1.00 0.00 O ATOM 820 CB SER A 57 -3.845 3.428 5.856 1.00 0.00 C ATOM 821 OG SER A 57 -2.931 4.176 6.647 1.00 0.00 O ATOM 0 H SER A 57 -5.586 3.438 4.132 1.00 0.00 H new ATOM 0 HA SER A 57 -5.618 3.377 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.715 2.361 6.039 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.650 3.596 4.797 1.00 0.00 H new ATOM 0 HG SER A 57 -3.039 3.932 7.590 1.00 0.00 H new ATOM 827 N ASP A 58 -5.570 6.097 5.347 1.00 0.00 N ATOM 828 CA ASP A 58 -5.638 7.578 5.475 1.00 0.00 C ATOM 829 C ASP A 58 -7.037 7.993 5.906 1.00 0.00 C ATOM 830 O ASP A 58 -7.863 8.380 5.103 1.00 0.00 O ATOM 831 CB ASP A 58 -5.313 8.121 4.085 1.00 0.00 C ATOM 832 CG ASP A 58 -4.714 9.525 4.213 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.704 10.047 5.318 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.273 10.053 3.205 1.00 0.00 O ATOM 0 H ASP A 58 -5.725 5.734 4.407 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.945 7.963 6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.610 7.459 3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.216 8.153 3.475 1.00 0.00 H new ATOM 839 N ILE A 59 -7.305 7.904 7.172 1.00 0.00 N ATOM 840 CA ILE A 59 -8.647 8.281 7.677 1.00 0.00 C ATOM 841 C ILE A 59 -9.074 9.632 7.105 1.00 0.00 C ATOM 842 O ILE A 59 -10.246 9.891 6.920 1.00 0.00 O ATOM 843 CB ILE A 59 -8.478 8.379 9.189 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.128 7.004 9.760 1.00 0.00 C ATOM 845 CG2 ILE A 59 -9.780 8.871 9.815 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.317 6.058 9.585 1.00 0.00 C ATOM 0 H ILE A 59 -6.648 7.584 7.884 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.412 7.560 7.389 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.675 9.080 9.417 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.252 6.601 9.253 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.873 7.092 10.816 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.660 8.941 10.896 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.029 9.853 9.413 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.582 8.170 9.584 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.066 5.079 9.992 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.182 6.460 10.113 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.552 5.961 8.525 1.00 0.00 H new ATOM 858 N ASP A 60 -8.141 10.505 6.840 1.00 0.00 N ATOM 859 CA ASP A 60 -8.531 11.841 6.299 1.00 0.00 C ATOM 860 C ASP A 60 -8.249 11.937 4.792 1.00 0.00 C ATOM 861 O ASP A 60 -8.759 12.810 4.117 1.00 0.00 O ATOM 862 CB ASP A 60 -7.702 12.856 7.095 1.00 0.00 C ATOM 863 CG ASP A 60 -6.295 12.976 6.510 1.00 0.00 C ATOM 864 OD1 ASP A 60 -5.892 12.080 5.787 1.00 0.00 O ATOM 865 OD2 ASP A 60 -5.638 13.959 6.807 1.00 0.00 O ATOM 0 H ASP A 60 -7.140 10.357 6.971 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.600 12.026 6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.193 13.829 7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.643 12.547 8.139 1.00 0.00 H new ATOM 870 N HIS A 61 -7.450 11.053 4.254 1.00 0.00 N ATOM 871 CA HIS A 61 -7.158 11.114 2.791 1.00 0.00 C ATOM 872 C HIS A 61 -6.630 12.500 2.422 1.00 0.00 C ATOM 873 O HIS A 61 -6.996 13.070 1.412 1.00 0.00 O ATOM 874 CB HIS A 61 -8.500 10.852 2.103 1.00 0.00 C ATOM 875 CG HIS A 61 -9.137 9.617 2.680 1.00 0.00 C ATOM 876 ND1 HIS A 61 -9.859 9.410 3.831 1.00 0.00 N flip ATOM 877 CD2 HIS A 61 -9.071 8.385 2.049 1.00 0.00 C flip ATOM 878 CE1 HIS A 61 -10.235 8.073 3.914 1.00 0.00 C flip ATOM 879 NE2 HIS A 61 -9.736 7.500 2.815 1.00 0.00 N flip ATOM 0 H HIS A 61 -6.990 10.296 4.760 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.401 10.390 2.490 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.160 11.709 2.236 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.351 10.728 1.030 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.576 8.173 1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.807 7.600 4.698 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -9.846 6.512 2.585 1.00 0.00 H new ATOM 887 N ASP A 62 -5.778 13.050 3.240 1.00 0.00 N ATOM 888 CA ASP A 62 -5.228 14.401 2.949 1.00 0.00 C ATOM 889 C ASP A 62 -3.818 14.282 2.360 1.00 0.00 C ATOM 890 O ASP A 62 -3.255 15.241 1.873 1.00 0.00 O ATOM 891 CB ASP A 62 -5.208 15.111 4.308 1.00 0.00 C ATOM 892 CG ASP A 62 -3.940 14.738 5.084 1.00 0.00 C ATOM 893 OD1 ASP A 62 -3.795 13.574 5.425 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.138 15.625 5.328 1.00 0.00 O ATOM 0 H ASP A 62 -5.438 12.620 4.100 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.819 14.950 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.249 16.190 4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.090 14.833 4.884 1.00 0.00 H new ATOM 899 N GLY A 63 -3.248 13.111 2.406 1.00 0.00 N ATOM 900 CA GLY A 63 -1.879 12.927 1.853 1.00 0.00 C ATOM 901 C GLY A 63 -0.932 12.499 2.975 1.00 0.00 C ATOM 902 O GLY A 63 0.269 12.441 2.798 1.00 0.00 O ATOM 0 H GLY A 63 -3.672 12.273 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.891 12.174 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.529 13.855 1.401 1.00 0.00 H new ATOM 906 N MET A 64 -1.461 12.195 4.129 1.00 0.00 N ATOM 907 CA MET A 64 -0.585 11.767 5.257 1.00 0.00 C ATOM 908 C MET A 64 -1.302 10.718 6.112 1.00 0.00 C ATOM 909 O MET A 64 -2.508 10.587 6.071 1.00 0.00 O ATOM 910 CB MET A 64 -0.307 13.021 6.100 1.00 0.00 C ATOM 911 CG MET A 64 -0.347 14.279 5.231 1.00 0.00 C ATOM 912 SD MET A 64 0.465 15.642 6.101 1.00 0.00 S ATOM 913 CE MET A 64 2.158 15.026 5.943 1.00 0.00 C ATOM 0 H MET A 64 -2.459 12.224 4.339 1.00 0.00 H new ATOM 0 HA MET A 64 0.340 11.325 4.887 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.046 13.100 6.897 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.669 12.935 6.578 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.152 14.093 4.280 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.380 14.543 5.003 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.852 15.866 5.943 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.385 14.367 6.781 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.258 14.473 5.009 1.00 0.00 H new ATOM 923 N LEU A 65 -0.567 9.978 6.895 1.00 0.00 N ATOM 924 CA LEU A 65 -1.201 8.947 7.766 1.00 0.00 C ATOM 925 C LEU A 65 -0.940 9.299 9.234 1.00 0.00 C ATOM 926 O LEU A 65 0.160 9.140 9.726 1.00 0.00 O ATOM 927 CB LEU A 65 -0.489 7.638 7.415 1.00 0.00 C ATOM 928 CG LEU A 65 -1.092 7.029 6.151 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.440 5.670 5.883 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.595 6.846 6.346 1.00 0.00 C ATOM 0 H LEU A 65 0.448 10.043 6.970 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.279 8.880 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.575 7.823 7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.577 6.935 8.243 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.914 7.690 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.868 5.232 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.634 5.802 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.620 5.007 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.029 6.411 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.774 6.182 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.057 7.814 6.540 1.00 0.00 H new ATOM 942 N ASP A 66 -1.926 9.777 9.943 1.00 0.00 N ATOM 943 CA ASP A 66 -1.691 10.132 11.373 1.00 0.00 C ATOM 944 C ASP A 66 -1.472 8.868 12.204 1.00 0.00 C ATOM 945 O ASP A 66 -1.614 7.757 11.732 1.00 0.00 O ATOM 946 CB ASP A 66 -2.952 10.887 11.818 1.00 0.00 C ATOM 947 CG ASP A 66 -3.211 10.675 13.314 1.00 0.00 C ATOM 948 OD1 ASP A 66 -2.679 11.441 14.101 1.00 0.00 O ATOM 949 OD2 ASP A 66 -3.937 9.754 13.646 1.00 0.00 O ATOM 0 H ASP A 66 -2.873 9.936 9.600 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.799 10.744 11.506 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.837 11.951 11.611 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.811 10.541 11.243 1.00 0.00 H new ATOM 954 N ARG A 67 -1.115 9.042 13.442 1.00 0.00 N ATOM 955 CA ARG A 67 -0.866 7.868 14.329 1.00 0.00 C ATOM 956 C ARG A 67 -2.002 6.848 14.222 1.00 0.00 C ATOM 957 O ARG A 67 -1.779 5.653 14.224 1.00 0.00 O ATOM 958 CB ARG A 67 -0.806 8.449 15.741 1.00 0.00 C ATOM 959 CG ARG A 67 -2.200 8.923 16.156 1.00 0.00 C ATOM 960 CD ARG A 67 -2.095 9.802 17.404 1.00 0.00 C ATOM 961 NE ARG A 67 -1.304 8.999 18.378 1.00 0.00 N ATOM 962 CZ ARG A 67 -1.876 8.533 19.455 1.00 0.00 C ATOM 963 NH1 ARG A 67 -2.775 9.245 20.078 1.00 0.00 N ATOM 964 NH2 ARG A 67 -1.549 7.354 19.913 1.00 0.00 N ATOM 0 H ARG A 67 -0.983 9.952 13.884 1.00 0.00 H new ATOM 0 HA ARG A 67 0.049 7.342 14.056 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.443 7.696 16.441 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.102 9.281 15.774 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.661 9.483 15.343 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.842 8.065 16.357 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.602 10.748 17.180 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.081 10.043 17.801 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.316 8.813 18.204 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.031 10.166 19.723 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.221 8.880 20.919 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.846 6.796 19.429 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.997 6.992 20.755 1.00 0.00 H new ATOM 978 N ASP A 68 -3.217 7.307 14.137 1.00 0.00 N ATOM 979 CA ASP A 68 -4.365 6.359 14.042 1.00 0.00 C ATOM 980 C ASP A 68 -4.587 5.938 12.591 1.00 0.00 C ATOM 981 O ASP A 68 -5.000 4.829 12.309 1.00 0.00 O ATOM 982 CB ASP A 68 -5.570 7.145 14.558 1.00 0.00 C ATOM 983 CG ASP A 68 -5.625 7.058 16.084 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.870 5.974 16.586 1.00 0.00 O ATOM 985 OD2 ASP A 68 -5.424 8.076 16.724 1.00 0.00 O ATOM 0 H ASP A 68 -3.467 8.296 14.129 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.194 5.447 14.615 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.498 8.187 14.246 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.488 6.746 14.128 1.00 0.00 H new ATOM 990 N GLU A 69 -4.304 6.810 11.669 1.00 0.00 N ATOM 991 CA GLU A 69 -4.488 6.462 10.233 1.00 0.00 C ATOM 992 C GLU A 69 -3.335 5.573 9.784 1.00 0.00 C ATOM 993 O GLU A 69 -3.522 4.572 9.119 1.00 0.00 O ATOM 994 CB GLU A 69 -4.462 7.798 9.494 1.00 0.00 C ATOM 995 CG GLU A 69 -5.365 8.796 10.219 1.00 0.00 C ATOM 996 CD GLU A 69 -5.552 10.046 9.355 1.00 0.00 C ATOM 997 OE1 GLU A 69 -5.794 9.892 8.169 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.450 11.135 9.895 1.00 0.00 O ATOM 0 H GLU A 69 -3.952 7.751 11.846 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.414 5.920 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.442 8.181 9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.800 7.665 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.332 8.340 10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.926 9.068 11.179 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.143 5.926 10.164 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.969 5.104 9.786 1.00 0.00 C ATOM 1007 C PHE A 70 -1.085 3.732 10.444 1.00 0.00 C ATOM 1008 O PHE A 70 -0.606 2.747 9.928 1.00 0.00 O ATOM 1009 CB PHE A 70 0.236 5.868 10.339 1.00 0.00 C ATOM 1010 CG PHE A 70 1.511 5.170 9.935 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.057 4.182 10.762 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.148 5.510 8.737 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.239 3.534 10.390 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.329 4.860 8.364 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.875 3.873 9.191 1.00 0.00 C ATOM 0 H PHE A 70 -1.932 6.753 10.723 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.886 4.945 8.711 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.235 6.891 9.961 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.172 5.929 11.425 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.566 3.920 11.687 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.728 6.274 8.100 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.661 2.772 11.028 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.819 5.120 7.438 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.788 3.372 8.904 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.727 3.662 11.579 1.00 0.00 N ATOM 1026 CA ALA A 71 -1.877 2.352 12.271 1.00 0.00 C ATOM 1027 C ALA A 71 -2.673 1.385 11.402 1.00 0.00 C ATOM 1028 O ALA A 71 -2.270 0.260 11.165 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.635 2.664 13.562 1.00 0.00 C ATOM 0 H ALA A 71 -2.154 4.456 12.056 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.915 1.881 12.471 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.784 1.744 14.128 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.059 3.369 14.161 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.603 3.101 13.319 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.799 1.817 10.923 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.628 0.932 10.065 1.00 0.00 C ATOM 1037 C VAL A 72 -3.802 0.449 8.865 1.00 0.00 C ATOM 1038 O VAL A 72 -4.084 -0.577 8.273 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.790 1.815 9.605 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.779 0.976 8.796 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.505 2.404 10.829 1.00 0.00 C ATOM 0 H VAL A 72 -4.184 2.747 11.088 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.977 0.042 10.589 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.405 2.624 8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.607 1.605 8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.274 0.558 7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.162 0.166 9.417 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.332 3.033 10.500 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.889 1.595 11.450 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.802 3.003 11.408 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.787 1.187 8.496 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.950 0.782 7.326 1.00 0.00 C ATOM 1053 C ALA A 73 -0.826 -0.178 7.734 1.00 0.00 C ATOM 1054 O ALA A 73 -0.155 -0.740 6.892 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.351 2.086 6.804 1.00 0.00 C ATOM 0 H ALA A 73 -2.501 2.052 8.954 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.546 0.256 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.720 1.876 5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.153 2.763 6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.752 2.550 7.587 1.00 0.00 H new ATOM 1061 N MET A 74 -0.597 -0.371 9.002 1.00 0.00 N ATOM 1062 CA MET A 74 0.506 -1.296 9.405 1.00 0.00 C ATOM 1063 C MET A 74 -0.004 -2.730 9.497 1.00 0.00 C ATOM 1064 O MET A 74 0.667 -3.660 9.095 1.00 0.00 O ATOM 1065 CB MET A 74 1.001 -0.792 10.764 1.00 0.00 C ATOM 1066 CG MET A 74 1.098 0.744 10.775 1.00 0.00 C ATOM 1067 SD MET A 74 1.613 1.383 9.151 1.00 0.00 S ATOM 1068 CE MET A 74 3.033 0.298 8.896 1.00 0.00 C ATOM 0 H MET A 74 -1.114 0.062 9.768 1.00 0.00 H new ATOM 0 HA MET A 74 1.314 -1.304 8.674 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.322 -1.124 11.549 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.977 -1.224 10.984 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.132 1.170 11.047 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.811 1.060 11.536 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.866 0.877 8.498 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.323 -0.150 9.846 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.768 -0.489 8.190 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.189 -2.928 9.994 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.715 -4.319 10.064 1.00 0.00 C ATOM 1080 C PHE A 75 -2.218 -4.711 8.672 1.00 0.00 C ATOM 1081 O PHE A 75 -2.330 -5.875 8.340 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.842 -4.289 11.106 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.148 -3.899 10.458 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.948 -4.878 9.860 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.556 -2.563 10.459 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.158 -4.521 9.260 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.766 -2.204 9.857 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.569 -3.185 9.257 1.00 0.00 C ATOM 0 H PHE A 75 -1.809 -2.201 10.350 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.967 -5.055 10.357 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.939 -5.269 11.574 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.596 -3.581 11.897 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.630 -5.910 9.862 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.938 -1.809 10.924 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.776 -5.277 8.799 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.082 -1.171 9.854 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.504 -2.908 8.793 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.488 -3.731 7.848 1.00 0.00 N ATOM 1099 CA LEU A 76 -2.950 -4.013 6.461 1.00 0.00 C ATOM 1100 C LEU A 76 -1.743 -4.364 5.590 1.00 0.00 C ATOM 1101 O LEU A 76 -1.853 -5.058 4.600 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.600 -2.711 5.996 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.091 -2.738 6.330 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.677 -1.336 6.153 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.806 -3.710 5.389 1.00 0.00 C ATOM 0 H LEU A 76 -2.407 -2.741 8.081 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.645 -4.850 6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.123 -1.860 6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.459 -2.585 4.923 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.227 -3.063 7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.741 -1.354 6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.167 -0.642 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.541 -1.013 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.870 -3.730 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.670 -3.384 4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.388 -4.709 5.512 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.585 -3.889 5.965 1.00 0.00 N ATOM 1118 CA VAL A 77 0.645 -4.192 5.179 1.00 0.00 C ATOM 1119 C VAL A 77 1.323 -5.446 5.719 1.00 0.00 C ATOM 1120 O VAL A 77 2.010 -6.140 5.002 1.00 0.00 O ATOM 1121 CB VAL A 77 1.545 -2.969 5.367 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.924 -3.236 4.760 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.916 -1.763 4.672 1.00 0.00 C ATOM 0 H VAL A 77 -0.438 -3.302 6.786 1.00 0.00 H new ATOM 0 HA VAL A 77 0.427 -4.380 4.128 1.00 0.00 H new ATOM 0 HB VAL A 77 1.653 -2.768 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.558 -2.360 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.379 -4.095 5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.819 -3.443 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.557 -0.891 4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.806 -1.973 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.064 -1.563 5.106 1.00 0.00 H new ATOM 1133 N TYR A 78 1.141 -5.743 6.976 1.00 0.00 N ATOM 1134 CA TYR A 78 1.786 -6.958 7.544 1.00 0.00 C ATOM 1135 C TYR A 78 0.887 -8.172 7.337 1.00 0.00 C ATOM 1136 O TYR A 78 1.353 -9.284 7.184 1.00 0.00 O ATOM 1137 CB TYR A 78 1.973 -6.662 9.029 1.00 0.00 C ATOM 1138 CG TYR A 78 3.409 -6.280 9.257 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.430 -7.140 8.838 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.721 -5.067 9.875 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.768 -6.783 9.037 1.00 0.00 C ATOM 1142 CE2 TYR A 78 5.058 -4.706 10.072 1.00 0.00 C ATOM 1143 CZ TYR A 78 6.083 -5.566 9.655 1.00 0.00 C ATOM 1144 OH TYR A 78 7.402 -5.210 9.848 1.00 0.00 O ATOM 0 H TYR A 78 0.577 -5.200 7.630 1.00 0.00 H new ATOM 0 HA TYR A 78 2.737 -7.184 7.062 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.311 -5.854 9.341 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.713 -7.536 9.626 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.186 -8.078 8.362 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.930 -4.408 10.201 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.558 -7.445 8.714 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.300 -3.766 10.545 1.00 0.00 H new ATOM 0 HH TYR A 78 7.444 -4.336 10.289 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.399 -7.968 7.307 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.317 -9.114 7.081 1.00 0.00 C ATOM 1156 C CYS A 79 -1.380 -9.408 5.585 1.00 0.00 C ATOM 1157 O CYS A 79 -1.826 -10.455 5.163 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.677 -8.656 7.606 1.00 0.00 C ATOM 1159 SG CYS A 79 -3.646 -10.097 8.121 1.00 0.00 S ATOM 0 H CYS A 79 -0.851 -7.062 7.429 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.992 -10.025 7.584 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.543 -7.976 8.447 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.210 -8.104 6.832 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.802 -9.705 8.569 1.00 0.00 H new ATOM 1165 N ALA A 80 -0.914 -8.492 4.778 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.928 -8.724 3.311 1.00 0.00 C ATOM 1167 C ALA A 80 0.324 -9.503 2.916 1.00 0.00 C ATOM 1168 O ALA A 80 0.480 -9.932 1.789 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.913 -7.326 2.690 1.00 0.00 C ATOM 0 H ALA A 80 -0.526 -7.596 5.074 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.792 -9.300 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.922 -7.410 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.793 -6.773 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.013 -6.797 3.005 1.00 0.00 H new ATOM 1175 N LEU A 81 1.221 -9.682 3.845 1.00 0.00 N ATOM 1176 CA LEU A 81 2.474 -10.425 3.554 1.00 0.00 C ATOM 1177 C LEU A 81 2.279 -11.904 3.842 1.00 0.00 C ATOM 1178 O LEU A 81 2.592 -12.755 3.034 1.00 0.00 O ATOM 1179 CB LEU A 81 3.511 -9.837 4.513 1.00 0.00 C ATOM 1180 CG LEU A 81 3.339 -8.320 4.625 1.00 0.00 C ATOM 1181 CD1 LEU A 81 4.644 -7.699 5.120 1.00 0.00 C ATOM 1182 CD2 LEU A 81 2.981 -7.733 3.256 1.00 0.00 C ATOM 0 H LEU A 81 1.137 -9.341 4.803 1.00 0.00 H new ATOM 0 HA LEU A 81 2.777 -10.333 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.406 -10.294 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.515 -10.070 4.159 1.00 0.00 H new ATOM 0 HG LEU A 81 2.536 -8.100 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.525 -6.619 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.895 -8.111 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.444 -7.924 4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.860 -6.653 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.778 -7.953 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.049 -8.175 2.903 1.00 0.00 H new ATOM 1194 N GLU A 82 1.776 -12.217 4.997 1.00 0.00 N ATOM 1195 CA GLU A 82 1.576 -13.647 5.335 1.00 0.00 C ATOM 1196 C GLU A 82 0.429 -14.234 4.513 1.00 0.00 C ATOM 1197 O GLU A 82 0.580 -15.256 3.873 1.00 0.00 O ATOM 1198 CB GLU A 82 1.275 -13.699 6.841 1.00 0.00 C ATOM 1199 CG GLU A 82 0.210 -12.666 7.224 1.00 0.00 C ATOM 1200 CD GLU A 82 -1.077 -13.388 7.627 1.00 0.00 C ATOM 1201 OE1 GLU A 82 -1.871 -13.678 6.746 1.00 0.00 O ATOM 1202 OE2 GLU A 82 -1.247 -13.640 8.808 1.00 0.00 O ATOM 0 H GLU A 82 1.496 -11.551 5.717 1.00 0.00 H new ATOM 0 HA GLU A 82 2.459 -14.242 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.933 -14.697 7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.189 -13.511 7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.567 -12.048 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.017 -11.998 6.385 1.00 0.00 H new ATOM 1260 N VAL A 86 -6.260 -6.994 0.326 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.772 -5.714 0.894 1.00 0.00 C ATOM 1262 C VAL A 86 -7.907 -5.149 0.030 1.00 0.00 C ATOM 1263 O VAL A 86 -7.752 -4.981 -1.162 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.567 -4.772 0.883 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -5.949 -3.444 1.537 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.416 -5.411 1.665 1.00 0.00 C ATOM 0 HA VAL A 86 -7.184 -5.846 1.895 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.256 -4.593 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.089 -2.774 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.770 -2.988 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.260 -3.622 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.556 -4.741 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.730 -5.589 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.142 -6.358 1.200 1.00 0.00 H new ATOM 1276 N PRO A 87 -9.014 -4.870 0.669 1.00 0.00 N ATOM 1277 CA PRO A 87 -10.185 -4.305 -0.031 1.00 0.00 C ATOM 1278 C PRO A 87 -10.114 -2.773 -0.005 1.00 0.00 C ATOM 1279 O PRO A 87 -9.616 -2.191 0.935 1.00 0.00 O ATOM 1280 CB PRO A 87 -11.356 -4.802 0.809 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.798 -5.041 2.186 1.00 0.00 C ATOM 1282 CD PRO A 87 -9.287 -5.059 2.092 1.00 0.00 C ATOM 0 HA PRO A 87 -10.257 -4.597 -1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -12.159 -4.066 0.835 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.776 -5.718 0.392 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -11.126 -4.258 2.870 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -11.165 -5.987 2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.841 -4.266 2.692 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.877 -6.001 2.454 1.00 0.00 H new ATOM 1290 N MET A 88 -10.603 -2.112 -1.020 1.00 0.00 N ATOM 1291 CA MET A 88 -10.545 -0.616 -1.022 1.00 0.00 C ATOM 1292 C MET A 88 -11.693 -0.041 -0.206 1.00 0.00 C ATOM 1293 O MET A 88 -11.973 1.141 -0.264 1.00 0.00 O ATOM 1294 CB MET A 88 -10.729 -0.171 -2.472 1.00 0.00 C ATOM 1295 CG MET A 88 -10.143 -1.202 -3.441 1.00 0.00 C ATOM 1296 SD MET A 88 -9.880 -0.430 -5.056 1.00 0.00 S ATOM 1297 CE MET A 88 -11.556 0.212 -5.275 1.00 0.00 C ATOM 0 H MET A 88 -11.036 -2.535 -1.841 1.00 0.00 H new ATOM 0 HA MET A 88 -9.601 -0.275 -0.597 1.00 0.00 H new ATOM 0 HB2 MET A 88 -11.790 -0.031 -2.682 1.00 0.00 H new ATOM 0 HB3 MET A 88 -10.244 0.793 -2.625 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.200 -1.588 -3.052 1.00 0.00 H new ATOM 0 HG3 MET A 88 -10.819 -2.051 -3.538 1.00 0.00 H new ATOM 0 HE1 MET A 88 -11.745 0.380 -6.335 1.00 0.00 H new ATOM 0 HE2 MET A 88 -12.275 -0.510 -4.888 1.00 0.00 H new ATOM 0 HE3 MET A 88 -11.659 1.153 -4.734 1.00 0.00 H new ATOM 1307 N SER A 89 -12.386 -0.855 0.528 1.00 0.00 N ATOM 1308 CA SER A 89 -13.533 -0.319 1.300 1.00 0.00 C ATOM 1309 C SER A 89 -13.222 -0.245 2.784 1.00 0.00 C ATOM 1310 O SER A 89 -13.194 -1.237 3.484 1.00 0.00 O ATOM 1311 CB SER A 89 -14.670 -1.293 1.055 1.00 0.00 C ATOM 1312 OG SER A 89 -15.067 -1.226 -0.309 1.00 0.00 O ATOM 0 H SER A 89 -12.213 -1.855 0.627 1.00 0.00 H new ATOM 0 HA SER A 89 -13.776 0.696 0.986 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.355 -2.306 1.304 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.514 -1.054 1.702 1.00 0.00 H new ATOM 0 HG SER A 89 -15.800 -1.856 -0.468 1.00 0.00 H new ATOM 1318 N LEU A 90 -13.011 0.936 3.268 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.725 1.101 4.720 1.00 0.00 C ATOM 1320 C LEU A 90 -13.836 0.455 5.546 1.00 0.00 C ATOM 1321 O LEU A 90 -14.935 0.968 5.616 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.699 2.607 4.961 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.274 3.034 5.292 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -11.218 4.553 5.461 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -10.823 2.359 6.591 1.00 0.00 C ATOM 0 H LEU A 90 -13.023 1.800 2.725 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.786 0.629 5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -13.054 3.136 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.370 2.869 5.779 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.612 2.735 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.198 4.855 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -11.534 5.034 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.883 4.854 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.804 2.666 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.487 2.654 7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.857 1.276 6.469 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.508 -0.651 6.148 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.488 -1.381 6.987 1.00 0.00 C ATOM 1339 C PRO A 91 -14.816 -0.568 8.243 1.00 0.00 C ATOM 1340 O PRO A 91 -14.087 0.333 8.609 1.00 0.00 O ATOM 1341 CB PRO A 91 -13.768 -2.684 7.328 1.00 0.00 C ATOM 1342 CG PRO A 91 -12.314 -2.364 7.192 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.204 -1.322 6.111 1.00 0.00 C ATOM 0 HA PRO A 91 -15.442 -1.558 6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.007 -3.015 8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.061 -3.487 6.651 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -11.909 -1.991 8.133 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.744 -3.255 6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.389 -0.626 6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -12.012 -1.773 5.137 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.921 -0.904 8.849 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.371 -0.184 10.064 1.00 0.00 C ATOM 1353 C PRO A 92 -15.541 -0.589 11.283 1.00 0.00 C ATOM 1354 O PRO A 92 -15.482 0.122 12.266 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.823 -0.622 10.220 1.00 0.00 C ATOM 1356 CG PRO A 92 -17.911 -1.949 9.530 1.00 0.00 C ATOM 1357 CD PRO A 92 -16.843 -1.976 8.464 1.00 0.00 C ATOM 0 HA PRO A 92 -16.261 0.897 9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.098 -0.706 11.271 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.503 0.101 9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.764 -2.762 10.241 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.898 -2.087 9.088 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.339 -2.942 8.430 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.264 -1.802 7.474 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.898 -1.719 11.230 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.073 -2.156 12.389 1.00 0.00 C ATOM 1367 C ALA A 93 -12.656 -1.609 12.248 1.00 0.00 C ATOM 1368 O ALA A 93 -11.743 -2.054 12.908 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.063 -3.684 12.320 1.00 0.00 C ATOM 0 H ALA A 93 -14.907 -2.359 10.436 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.468 -1.796 13.339 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.472 -4.082 13.145 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.084 -4.058 12.392 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.625 -4.003 11.374 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.462 -0.652 11.387 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.096 -0.093 11.203 1.00 0.00 C ATOM 1377 C LEU A 94 -11.069 1.393 11.565 1.00 0.00 C ATOM 1378 O LEU A 94 -10.033 1.949 11.874 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.801 -0.270 9.714 1.00 0.00 C ATOM 1380 CG LEU A 94 -10.060 -1.584 9.502 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -8.693 -1.507 10.183 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -10.876 -2.722 10.116 1.00 0.00 C ATOM 0 H LEU A 94 -13.187 -0.234 10.804 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.363 -0.590 11.839 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.730 -0.267 9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.200 0.563 9.349 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.924 -1.766 8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.159 -2.445 10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.117 -0.689 9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.828 -1.332 11.250 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.352 -3.666 9.968 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.006 -2.542 11.183 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.853 -2.770 9.635 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.197 2.042 11.514 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.238 3.495 11.837 1.00 0.00 C ATOM 1396 C VAL A 95 -12.161 3.719 13.346 1.00 0.00 C ATOM 1397 O VAL A 95 -12.886 3.105 14.103 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.586 3.981 11.306 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -13.710 5.488 11.540 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.679 3.688 9.808 1.00 0.00 C ATOM 0 H VAL A 95 -13.095 1.628 11.262 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.397 4.029 11.394 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.391 3.464 11.827 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -14.671 5.837 11.162 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -13.642 5.697 12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -12.905 6.005 11.017 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -14.640 4.034 9.429 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -12.875 4.206 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.588 2.615 9.641 1.00 0.00 H new