USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 540 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 49 HIS :FLIP no HD1:sc= 0 F(o=-2.2,f=-1.6) USER MOD Set 1.2: A 63 GLN : amide:sc= -1.6 K(o=-1.6,f=-4.6!) USER MOD Set 2.1: A 26 CYS SG : rot 120:sc= -2.16! USER MOD Set 2.2: A 30 TYR OH : rot 158:sc= 0.498 USER MOD Set 2.3: A 62 HIS : no HD1:sc= -0.415 K(o=-2.1,f=-5.2) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 158:sc= -0.137 (180deg=-0.635) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 20 MET CE :methyl 155:sc= -0.298 (180deg=-1.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.286 K(o=0.29,f=-0.97) USER MOD Single : A 29 GLN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= -0.159 (180deg=-0.751) USER MOD Single : A 33 ASN : amide:sc= -0.394 K(o=-0.39,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.105 USER MOD Single : A 43 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0036 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.255 -0.498 -10.688 1.00 0.00 N ATOM 60 CA GLY A 7 -6.283 -1.426 -11.803 1.00 0.00 C ATOM 61 C GLY A 7 -6.866 -0.806 -13.058 1.00 0.00 C ATOM 62 O GLY A 7 -6.159 -0.602 -14.044 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.270 -1.772 -12.009 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.870 -2.302 -11.528 1.00 0.00 H new ATOM 66 N VAL A 8 -8.161 -0.508 -13.022 1.00 0.00 N ATOM 67 CA VAL A 8 -8.839 0.092 -14.165 1.00 0.00 C ATOM 68 C VAL A 8 -8.153 1.383 -14.596 1.00 0.00 C ATOM 69 O VAL A 8 -8.249 1.793 -15.752 1.00 0.00 O ATOM 70 CB VAL A 8 -10.317 0.389 -13.848 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.047 0.859 -15.097 1.00 0.00 C ATOM 72 CG2 VAL A 8 -10.992 -0.838 -13.256 1.00 0.00 C ATOM 0 H VAL A 8 -8.761 -0.672 -12.214 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.788 -0.631 -14.979 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.358 1.189 -13.109 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.090 1.064 -14.854 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.577 1.768 -15.473 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.999 0.083 -15.861 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.035 -0.610 -13.038 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.942 -1.661 -13.969 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.484 -1.124 -12.335 1.00 0.00 H new ATOM 82 N SER A 9 -7.460 2.020 -13.657 1.00 0.00 N ATOM 83 CA SER A 9 -6.760 3.268 -13.939 1.00 0.00 C ATOM 84 C SER A 9 -5.528 3.016 -14.803 1.00 0.00 C ATOM 85 O SER A 9 -5.106 3.881 -15.570 1.00 0.00 O ATOM 86 CB SER A 9 -6.351 3.953 -12.634 1.00 0.00 C ATOM 87 OG SER A 9 -5.562 3.092 -11.831 1.00 0.00 O ATOM 0 H SER A 9 -7.368 1.693 -12.695 1.00 0.00 H new ATOM 0 HA SER A 9 -7.439 3.922 -14.487 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.792 4.862 -12.857 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.242 4.254 -12.083 1.00 0.00 H new ATOM 0 HG SER A 9 -5.312 3.554 -11.004 1.00 0.00 H new ATOM 93 N LYS A 10 -4.955 1.825 -14.671 1.00 0.00 N ATOM 94 CA LYS A 10 -3.771 1.456 -15.439 1.00 0.00 C ATOM 95 C LYS A 10 -4.128 0.470 -16.548 1.00 0.00 C ATOM 96 O LYS A 10 -3.275 -0.283 -17.019 1.00 0.00 O ATOM 97 CB LYS A 10 -2.711 0.845 -14.520 1.00 0.00 C ATOM 98 CG LYS A 10 -2.470 1.647 -13.253 1.00 0.00 C ATOM 99 CD LYS A 10 -1.007 2.033 -13.108 1.00 0.00 C ATOM 100 CE LYS A 10 -0.721 2.624 -11.736 1.00 0.00 C ATOM 101 NZ LYS A 10 -1.105 1.693 -10.639 1.00 0.00 N ATOM 0 H LYS A 10 -5.291 1.098 -14.039 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.368 2.360 -15.896 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.017 -0.165 -14.248 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.773 0.757 -15.069 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.085 2.547 -13.268 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.781 1.063 -12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.380 1.155 -13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.742 2.756 -13.879 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.340 2.860 -11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.266 3.561 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.580 1.938 -9.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.126 1.773 -10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.878 0.717 -10.917 1.00 0.00 H new ATOM 115 N TRP A 11 -5.390 0.482 -16.960 1.00 0.00 N ATOM 116 CA TRP A 11 -5.858 -0.411 -18.014 1.00 0.00 C ATOM 117 C TRP A 11 -5.356 0.049 -19.379 1.00 0.00 C ATOM 118 O TRP A 11 -5.559 1.198 -19.771 1.00 0.00 O ATOM 119 CB TRP A 11 -7.386 -0.476 -18.015 1.00 0.00 C ATOM 120 CG TRP A 11 -7.929 -1.684 -17.314 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.332 -2.383 -16.304 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.177 -2.337 -17.573 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.134 -3.431 -15.919 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.272 -3.423 -16.682 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.224 -2.107 -18.469 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.372 -4.277 -16.664 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.315 -2.955 -18.450 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.383 -4.029 -17.552 1.00 0.00 C ATOM 0 H TRP A 11 -6.108 1.100 -16.581 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.459 -1.406 -17.817 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.781 0.421 -17.537 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.742 -0.472 -19.045 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.371 -2.147 -15.871 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -7.917 -4.105 -15.185 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.181 -1.281 -19.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.425 -5.106 -15.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.129 -2.787 -19.139 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.250 -4.673 -17.561 1.00 0.00 H new ATOM 139 N SER A 12 -4.700 -0.856 -20.098 1.00 0.00 N ATOM 140 CA SER A 12 -4.166 -0.542 -21.418 1.00 0.00 C ATOM 141 C SER A 12 -5.279 -0.099 -22.363 1.00 0.00 C ATOM 142 O SER A 12 -6.460 -0.359 -22.136 1.00 0.00 O ATOM 143 CB SER A 12 -3.439 -1.756 -22.000 1.00 0.00 C ATOM 144 OG SER A 12 -2.034 -1.612 -21.888 1.00 0.00 O ATOM 0 H SER A 12 -4.526 -1.812 -19.789 1.00 0.00 H new ATOM 0 HA SER A 12 -3.457 0.279 -21.310 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.758 -2.659 -21.479 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.713 -1.880 -23.048 1.00 0.00 H new ATOM 0 HG SER A 12 -1.593 -2.402 -22.266 1.00 0.00 H new ATOM 150 N PRO A 13 -4.893 0.586 -23.450 1.00 0.00 N ATOM 151 CA PRO A 13 -5.842 1.079 -24.453 1.00 0.00 C ATOM 152 C PRO A 13 -6.466 -0.051 -25.265 1.00 0.00 C ATOM 153 O PRO A 13 -7.518 0.122 -25.880 1.00 0.00 O ATOM 154 CB PRO A 13 -4.980 1.970 -25.350 1.00 0.00 C ATOM 155 CG PRO A 13 -3.597 1.435 -25.198 1.00 0.00 C ATOM 156 CD PRO A 13 -3.501 0.931 -23.785 1.00 0.00 C ATOM 0 HA PRO A 13 -6.684 1.599 -23.996 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.310 1.925 -26.388 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.037 3.014 -25.043 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.408 0.633 -25.912 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.855 2.211 -25.387 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.844 0.065 -23.711 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.103 1.692 -23.113 1.00 0.00 H new ATOM 164 N SER A 14 -5.811 -1.207 -25.263 1.00 0.00 N ATOM 165 CA SER A 14 -6.300 -2.364 -26.003 1.00 0.00 C ATOM 166 C SER A 14 -7.143 -3.266 -25.106 1.00 0.00 C ATOM 167 O SER A 14 -8.013 -3.995 -25.583 1.00 0.00 O ATOM 168 CB SER A 14 -5.128 -3.157 -26.585 1.00 0.00 C ATOM 169 OG SER A 14 -5.210 -3.224 -27.998 1.00 0.00 O ATOM 0 H SER A 14 -4.940 -1.367 -24.757 1.00 0.00 H new ATOM 0 HA SER A 14 -6.927 -2.004 -26.819 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.188 -2.689 -26.294 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.124 -4.165 -26.169 1.00 0.00 H new ATOM 0 HG SER A 14 -4.449 -3.734 -28.346 1.00 0.00 H new ATOM 175 N GLN A 15 -6.878 -3.210 -23.805 1.00 0.00 N ATOM 176 CA GLN A 15 -7.611 -4.022 -22.841 1.00 0.00 C ATOM 177 C GLN A 15 -9.069 -3.581 -22.755 1.00 0.00 C ATOM 178 O GLN A 15 -9.978 -4.410 -22.722 1.00 0.00 O ATOM 179 CB GLN A 15 -6.956 -3.930 -21.462 1.00 0.00 C ATOM 180 CG GLN A 15 -5.808 -4.908 -21.268 1.00 0.00 C ATOM 181 CD GLN A 15 -6.194 -6.098 -20.413 1.00 0.00 C ATOM 182 OE1 GLN A 15 -5.484 -6.460 -19.474 1.00 0.00 O ATOM 183 NE2 GLN A 15 -7.326 -6.716 -20.733 1.00 0.00 N ATOM 0 H GLN A 15 -6.162 -2.611 -23.394 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.583 -5.057 -23.180 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.588 -2.915 -21.311 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.711 -4.112 -20.697 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.467 -5.260 -22.242 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.968 -4.390 -20.805 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.884 -6.383 -21.519 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.637 -7.523 -20.193 1.00 0.00 H new ATOM 192 N VAL A 16 -9.284 -2.269 -22.717 1.00 0.00 N ATOM 193 CA VAL A 16 -10.631 -1.718 -22.635 1.00 0.00 C ATOM 194 C VAL A 16 -11.531 -2.303 -23.717 1.00 0.00 C ATOM 195 O VAL A 16 -12.732 -2.481 -23.511 1.00 0.00 O ATOM 196 CB VAL A 16 -10.618 -0.183 -22.768 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.034 0.370 -22.712 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.750 0.438 -21.684 1.00 0.00 C ATOM 0 H VAL A 16 -8.543 -1.569 -22.742 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.024 -1.988 -21.655 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.191 0.077 -23.736 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.005 1.455 -22.807 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.621 -0.050 -23.528 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.492 0.102 -21.760 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.752 1.523 -21.793 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.145 0.171 -20.704 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.730 0.066 -21.777 1.00 0.00 H new ATOM 208 N VAL A 17 -10.943 -2.602 -24.871 1.00 0.00 N ATOM 209 CA VAL A 17 -11.692 -3.170 -25.986 1.00 0.00 C ATOM 210 C VAL A 17 -12.263 -4.536 -25.625 1.00 0.00 C ATOM 211 O VAL A 17 -13.395 -4.862 -25.985 1.00 0.00 O ATOM 212 CB VAL A 17 -10.810 -3.310 -27.241 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.648 -3.727 -28.439 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.073 -2.008 -27.522 1.00 0.00 C ATOM 0 H VAL A 17 -9.950 -2.460 -25.058 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.510 -2.483 -26.201 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.069 -4.088 -27.058 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.008 -3.821 -29.316 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.125 -4.685 -28.234 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.413 -2.974 -28.627 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.455 -2.125 -28.412 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.796 -1.209 -27.685 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.440 -1.757 -26.671 1.00 0.00 H new ATOM 224 N ASP A 18 -11.474 -5.331 -24.911 1.00 0.00 N ATOM 225 CA ASP A 18 -11.902 -6.663 -24.499 1.00 0.00 C ATOM 226 C ASP A 18 -13.106 -6.583 -23.565 1.00 0.00 C ATOM 227 O ASP A 18 -13.925 -7.500 -23.513 1.00 0.00 O ATOM 228 CB ASP A 18 -10.753 -7.400 -23.809 1.00 0.00 C ATOM 229 CG ASP A 18 -11.073 -8.860 -23.554 1.00 0.00 C ATOM 230 OD1 ASP A 18 -11.929 -9.138 -22.689 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.466 -9.725 -24.220 1.00 0.00 O ATOM 0 H ASP A 18 -10.535 -5.076 -24.605 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.194 -7.216 -25.392 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.857 -7.330 -24.426 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.527 -6.910 -22.862 1.00 0.00 H new ATOM 236 N TRP A 19 -13.205 -5.481 -22.830 1.00 0.00 N ATOM 237 CA TRP A 19 -14.308 -5.282 -21.897 1.00 0.00 C ATOM 238 C TRP A 19 -15.619 -5.061 -22.644 1.00 0.00 C ATOM 239 O TRP A 19 -16.655 -5.612 -22.274 1.00 0.00 O ATOM 240 CB TRP A 19 -14.020 -4.091 -20.982 1.00 0.00 C ATOM 241 CG TRP A 19 -15.168 -3.740 -20.085 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.744 -4.541 -19.140 1.00 0.00 C ATOM 243 CD2 TRP A 19 -15.879 -2.498 -20.049 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.771 -3.872 -18.520 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.874 -2.617 -19.058 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.772 -1.297 -20.755 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.754 -1.580 -18.760 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.646 -0.269 -20.458 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.626 -0.415 -19.467 1.00 0.00 C ATOM 0 H TRP A 19 -12.535 -4.712 -22.862 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.405 -6.182 -21.290 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.146 -4.315 -20.371 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.768 -3.225 -21.594 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.437 -5.551 -18.914 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.361 -4.249 -17.779 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.019 -1.174 -21.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.511 -1.691 -17.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.573 0.663 -20.999 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.293 0.408 -19.257 1.00 0.00 H new ATOM 260 N MET A 20 -15.566 -4.250 -23.696 1.00 0.00 N ATOM 261 CA MET A 20 -16.751 -3.958 -24.495 1.00 0.00 C ATOM 262 C MET A 20 -17.293 -5.226 -25.146 1.00 0.00 C ATOM 263 O MET A 20 -18.473 -5.303 -25.491 1.00 0.00 O ATOM 264 CB MET A 20 -16.424 -2.918 -25.568 1.00 0.00 C ATOM 265 CG MET A 20 -15.648 -1.723 -25.040 1.00 0.00 C ATOM 266 SD MET A 20 -15.451 -0.423 -26.275 1.00 0.00 S ATOM 267 CE MET A 20 -17.162 -0.025 -26.624 1.00 0.00 C ATOM 0 H MET A 20 -14.716 -3.784 -24.015 1.00 0.00 H new ATOM 0 HA MET A 20 -17.517 -3.556 -23.832 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.846 -3.395 -26.360 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.353 -2.568 -26.018 1.00 0.00 H new ATOM 0 HG2 MET A 20 -16.162 -1.317 -24.169 1.00 0.00 H new ATOM 0 HG3 MET A 20 -14.665 -2.052 -24.705 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.229 0.998 -26.994 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.548 -0.710 -27.379 1.00 0.00 H new ATOM 0 HE3 MET A 20 -17.751 -0.120 -25.712 1.00 0.00 H new ATOM 277 N LYS A 21 -16.426 -6.218 -25.312 1.00 0.00 N ATOM 278 CA LYS A 21 -16.817 -7.484 -25.922 1.00 0.00 C ATOM 279 C LYS A 21 -17.795 -8.239 -25.027 1.00 0.00 C ATOM 280 O LYS A 21 -18.430 -9.200 -25.458 1.00 0.00 O ATOM 281 CB LYS A 21 -15.583 -8.348 -26.190 1.00 0.00 C ATOM 282 CG LYS A 21 -14.632 -7.748 -27.211 1.00 0.00 C ATOM 283 CD LYS A 21 -13.572 -8.749 -27.641 1.00 0.00 C ATOM 284 CE LYS A 21 -12.640 -8.159 -28.689 1.00 0.00 C ATOM 285 NZ LYS A 21 -11.307 -8.822 -28.682 1.00 0.00 N ATOM 0 H LYS A 21 -15.446 -6.170 -25.032 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.312 -7.265 -26.868 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.047 -8.502 -25.253 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.905 -9.329 -26.538 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.195 -7.416 -28.083 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.151 -6.866 -26.787 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.993 -9.063 -26.773 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.054 -9.641 -28.042 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.092 -8.262 -29.676 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.516 -7.092 -28.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.701 -8.392 -29.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.865 -8.702 -27.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.422 -9.836 -28.883 1.00 0.00 H new ATOM 299 N GLY A 22 -17.910 -7.797 -23.778 1.00 0.00 N ATOM 300 CA GLY A 22 -18.813 -8.442 -22.843 1.00 0.00 C ATOM 301 C GLY A 22 -19.916 -7.516 -22.369 1.00 0.00 C ATOM 302 O GLY A 22 -20.452 -7.687 -21.273 1.00 0.00 O ATOM 0 H GLY A 22 -17.394 -7.004 -23.397 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.257 -9.318 -23.317 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.247 -8.798 -21.982 1.00 0.00 H new ATOM 306 N LEU A 23 -20.256 -6.533 -23.195 1.00 0.00 N ATOM 307 CA LEU A 23 -21.301 -5.574 -22.853 1.00 0.00 C ATOM 308 C LEU A 23 -22.470 -5.672 -23.829 1.00 0.00 C ATOM 309 O LEU A 23 -22.539 -6.597 -24.639 1.00 0.00 O ATOM 310 CB LEU A 23 -20.738 -4.152 -22.856 1.00 0.00 C ATOM 311 CG LEU A 23 -19.457 -3.937 -22.048 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.061 -2.468 -22.059 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.637 -4.432 -20.621 1.00 0.00 C ATOM 0 H LEU A 23 -19.824 -6.379 -24.106 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.664 -5.812 -21.853 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.546 -3.861 -23.889 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.504 -3.478 -22.472 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.656 -4.512 -22.512 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.148 -2.333 -21.480 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.890 -2.145 -23.086 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.861 -1.872 -21.619 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.716 -4.271 -20.061 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.451 -3.884 -20.146 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -19.874 -5.496 -20.632 1.00 0.00 H new ATOM 325 N ASP A 24 -23.383 -4.711 -23.748 1.00 0.00 N ATOM 326 CA ASP A 24 -24.547 -4.687 -24.627 1.00 0.00 C ATOM 327 C ASP A 24 -24.128 -4.809 -26.088 1.00 0.00 C ATOM 328 O ASP A 24 -23.054 -4.348 -26.477 1.00 0.00 O ATOM 329 CB ASP A 24 -25.344 -3.398 -24.418 1.00 0.00 C ATOM 330 CG ASP A 24 -26.817 -3.660 -24.176 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.483 -4.193 -25.089 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.305 -3.334 -23.074 1.00 0.00 O ATOM 0 H ASP A 24 -23.340 -3.939 -23.083 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.178 -5.540 -24.377 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -24.931 -2.853 -23.569 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.231 -2.759 -25.293 1.00 0.00 H new ATOM 337 N ASP A 25 -24.980 -5.433 -26.893 1.00 0.00 N ATOM 338 CA ASP A 25 -24.698 -5.616 -28.312 1.00 0.00 C ATOM 339 C ASP A 25 -24.645 -4.273 -29.033 1.00 0.00 C ATOM 340 O ASP A 25 -23.873 -4.094 -29.976 1.00 0.00 O ATOM 341 CB ASP A 25 -25.760 -6.511 -28.953 1.00 0.00 C ATOM 342 CG ASP A 25 -25.153 -7.654 -29.743 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.232 -8.314 -29.218 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.599 -7.889 -30.886 1.00 0.00 O ATOM 0 H ASP A 25 -25.872 -5.821 -26.587 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.724 -6.097 -28.405 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.409 -6.915 -28.175 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.388 -5.911 -29.612 1.00 0.00 H new ATOM 349 N CYS A 26 -25.469 -3.333 -28.584 1.00 0.00 N ATOM 350 CA CYS A 26 -25.517 -2.006 -29.187 1.00 0.00 C ATOM 351 C CYS A 26 -24.194 -1.273 -28.993 1.00 0.00 C ATOM 352 O CYS A 26 -23.868 -0.349 -29.741 1.00 0.00 O ATOM 353 CB CYS A 26 -26.660 -1.189 -28.583 1.00 0.00 C ATOM 354 SG CYS A 26 -26.422 -0.761 -26.842 1.00 0.00 S ATOM 0 H CYS A 26 -26.113 -3.465 -27.804 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.692 -2.126 -30.256 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.780 -0.271 -29.159 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -27.588 -1.752 -28.684 1.00 0.00 H new ATOM 0 HG CYS A 26 -26.411 0.532 -26.711 1.00 0.00 H new ATOM 360 N LEU A 27 -23.436 -1.688 -27.984 1.00 0.00 N ATOM 361 CA LEU A 27 -22.147 -1.070 -27.690 1.00 0.00 C ATOM 362 C LEU A 27 -21.010 -1.839 -28.353 1.00 0.00 C ATOM 363 O LEU A 27 -19.857 -1.747 -27.932 1.00 0.00 O ATOM 364 CB LEU A 27 -21.923 -1.007 -26.179 1.00 0.00 C ATOM 365 CG LEU A 27 -23.132 -0.597 -25.337 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.806 -0.690 -23.854 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.580 0.812 -25.699 1.00 0.00 C ATOM 0 H LEU A 27 -23.691 -2.450 -27.356 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.157 -0.057 -28.092 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.586 -1.987 -25.841 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -21.113 -0.305 -25.981 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.951 -1.284 -25.552 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.678 -0.395 -23.271 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.533 -1.716 -23.605 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.973 -0.027 -23.622 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.441 1.088 -25.090 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.765 1.512 -25.513 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.855 0.847 -26.753 1.00 0.00 H new ATOM 379 N GLN A 28 -21.342 -2.597 -29.394 1.00 0.00 N ATOM 380 CA GLN A 28 -20.347 -3.381 -30.116 1.00 0.00 C ATOM 381 C GLN A 28 -19.783 -2.593 -31.293 1.00 0.00 C ATOM 382 O GLN A 28 -18.571 -2.559 -31.505 1.00 0.00 O ATOM 383 CB GLN A 28 -20.962 -4.691 -30.612 1.00 0.00 C ATOM 384 CG GLN A 28 -21.429 -5.606 -29.492 1.00 0.00 C ATOM 385 CD GLN A 28 -20.280 -6.147 -28.663 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.314 -6.690 -29.199 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.379 -6.000 -27.347 1.00 0.00 N ATOM 0 H GLN A 28 -22.292 -2.684 -29.756 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.531 -3.607 -29.430 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.808 -4.463 -31.260 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.228 -5.220 -31.220 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.114 -5.060 -28.844 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -21.989 -6.439 -29.918 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.198 -5.544 -26.945 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.636 -6.344 -26.738 1.00 0.00 H new ATOM 396 N GLN A 29 -20.669 -1.961 -32.056 1.00 0.00 N ATOM 397 CA GLN A 29 -20.258 -1.174 -33.212 1.00 0.00 C ATOM 398 C GLN A 29 -19.252 -0.100 -32.811 1.00 0.00 C ATOM 399 O GLN A 29 -18.441 0.341 -33.625 1.00 0.00 O ATOM 400 CB GLN A 29 -21.475 -0.527 -33.875 1.00 0.00 C ATOM 401 CG GLN A 29 -22.234 0.420 -32.959 1.00 0.00 C ATOM 402 CD GLN A 29 -23.698 0.545 -33.333 1.00 0.00 C ATOM 403 OE1 GLN A 29 -24.055 1.279 -34.255 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.556 -0.173 -32.617 1.00 0.00 N ATOM 0 H GLN A 29 -21.676 -1.979 -31.894 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.780 -1.846 -33.924 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.149 0.020 -34.760 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.152 -1.310 -34.216 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.154 0.067 -31.931 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.768 1.405 -32.995 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.217 -0.768 -31.861 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.554 -0.129 -32.823 1.00 0.00 H new ATOM 413 N TYR A 30 -19.311 0.316 -31.551 1.00 0.00 N ATOM 414 CA TYR A 30 -18.407 1.341 -31.041 1.00 0.00 C ATOM 415 C TYR A 30 -17.016 0.765 -30.791 1.00 0.00 C ATOM 416 O TYR A 30 -16.019 1.487 -30.818 1.00 0.00 O ATOM 417 CB TYR A 30 -18.961 1.943 -29.749 1.00 0.00 C ATOM 418 CG TYR A 30 -20.367 2.483 -29.887 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.742 3.222 -31.003 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.320 2.253 -28.903 1.00 0.00 C ATOM 421 CE1 TYR A 30 -22.025 3.717 -31.133 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.606 2.744 -29.025 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.954 3.475 -30.141 1.00 0.00 C ATOM 424 OH TYR A 30 -24.233 3.966 -30.268 1.00 0.00 O ATOM 0 H TYR A 30 -19.975 -0.040 -30.864 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.326 2.125 -31.794 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.948 1.182 -28.969 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.302 2.747 -29.421 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -20.018 3.412 -31.782 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.051 1.681 -28.027 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.300 4.290 -32.006 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.335 2.556 -28.250 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.842 3.443 -29.705 1.00 0.00 H new ATOM 434 N ILE A 31 -16.959 -0.540 -30.548 1.00 0.00 N ATOM 435 CA ILE A 31 -15.691 -1.214 -30.295 1.00 0.00 C ATOM 436 C ILE A 31 -14.674 -0.901 -31.388 1.00 0.00 C ATOM 437 O ILE A 31 -13.517 -0.592 -31.104 1.00 0.00 O ATOM 438 CB ILE A 31 -15.874 -2.741 -30.202 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.890 -3.089 -29.112 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.540 -3.418 -29.926 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.169 -4.571 -28.997 1.00 0.00 C ATOM 0 H ILE A 31 -17.775 -1.151 -30.521 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.321 -0.841 -29.340 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.254 -3.106 -31.156 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.523 -2.721 -28.154 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.824 -2.566 -29.317 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.685 -4.496 -29.863 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.844 -3.192 -30.734 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.134 -3.051 -28.983 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.898 -4.744 -28.205 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.566 -4.941 -29.942 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.245 -5.098 -28.761 1.00 0.00 H new ATOM 453 N LYS A 32 -15.114 -0.982 -32.639 1.00 0.00 N ATOM 454 CA LYS A 32 -14.245 -0.704 -33.776 1.00 0.00 C ATOM 455 C LYS A 32 -13.639 0.692 -33.669 1.00 0.00 C ATOM 456 O LYS A 32 -12.548 0.945 -34.178 1.00 0.00 O ATOM 457 CB LYS A 32 -15.026 -0.834 -35.085 1.00 0.00 C ATOM 458 CG LYS A 32 -15.619 -2.215 -35.305 1.00 0.00 C ATOM 459 CD LYS A 32 -14.549 -3.294 -35.267 1.00 0.00 C ATOM 460 CE LYS A 32 -15.092 -4.634 -35.740 1.00 0.00 C ATOM 461 NZ LYS A 32 -15.660 -4.549 -37.113 1.00 0.00 N ATOM 0 H LYS A 32 -16.069 -1.238 -32.891 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.435 -1.434 -33.770 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.829 -0.097 -35.094 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.365 -0.595 -35.918 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.368 -2.417 -34.539 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.131 -2.243 -36.267 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.710 -2.998 -35.896 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.167 -3.393 -34.251 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.294 -5.376 -35.723 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.862 -4.978 -35.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.706 -5.501 -37.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.617 -4.144 -37.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.055 -3.942 -37.702 1.00 0.00 H new ATOM 475 N ASN A 33 -14.354 1.593 -33.004 1.00 0.00 N ATOM 476 CA ASN A 33 -13.886 2.963 -32.830 1.00 0.00 C ATOM 477 C ASN A 33 -12.909 3.060 -31.662 1.00 0.00 C ATOM 478 O ASN A 33 -11.960 3.844 -31.696 1.00 0.00 O ATOM 479 CB ASN A 33 -15.071 3.903 -32.597 1.00 0.00 C ATOM 480 CG ASN A 33 -16.013 3.950 -33.784 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.671 3.506 -34.880 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.207 4.491 -33.570 1.00 0.00 N ATOM 0 H ASN A 33 -15.260 1.399 -32.577 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.367 3.262 -33.741 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.620 3.579 -31.713 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.700 4.907 -32.391 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.884 4.551 -34.331 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.447 4.846 -32.645 1.00 0.00 H new ATOM 489 N PHE A 34 -13.146 2.257 -30.631 1.00 0.00 N ATOM 490 CA PHE A 34 -12.287 2.252 -29.452 1.00 0.00 C ATOM 491 C PHE A 34 -10.948 1.588 -29.758 1.00 0.00 C ATOM 492 O PHE A 34 -9.917 1.963 -29.201 1.00 0.00 O ATOM 493 CB PHE A 34 -12.977 1.526 -28.295 1.00 0.00 C ATOM 494 CG PHE A 34 -13.927 2.396 -27.523 1.00 0.00 C ATOM 495 CD1 PHE A 34 -14.973 3.041 -28.163 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.774 2.568 -26.156 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.848 3.843 -27.454 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.646 3.368 -25.442 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.685 4.006 -26.092 1.00 0.00 C ATOM 0 H PHE A 34 -13.926 1.601 -30.587 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.102 3.287 -29.163 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.521 0.667 -28.688 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.218 1.138 -27.615 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.106 2.916 -29.227 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.964 2.071 -25.643 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.658 4.342 -27.965 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.515 3.494 -24.377 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.368 4.631 -25.536 1.00 0.00 H new ATOM 509 N GLU A 35 -10.974 0.600 -30.646 1.00 0.00 N ATOM 510 CA GLU A 35 -9.762 -0.118 -31.025 1.00 0.00 C ATOM 511 C GLU A 35 -8.787 0.806 -31.751 1.00 0.00 C ATOM 512 O GLU A 35 -7.573 0.615 -31.689 1.00 0.00 O ATOM 513 CB GLU A 35 -10.107 -1.313 -31.915 1.00 0.00 C ATOM 514 CG GLU A 35 -9.549 -2.632 -31.407 1.00 0.00 C ATOM 515 CD GLU A 35 -8.037 -2.619 -31.289 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.362 -2.466 -32.328 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.530 -2.761 -30.157 1.00 0.00 O ATOM 0 H GLU A 35 -11.820 0.278 -31.116 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.285 -0.479 -30.114 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.191 -1.394 -31.996 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.725 -1.129 -32.919 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.984 -2.855 -30.433 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.850 -3.434 -32.081 1.00 0.00 H new ATOM 524 N ARG A 36 -9.330 1.806 -32.438 1.00 0.00 N ATOM 525 CA ARG A 36 -8.509 2.758 -33.177 1.00 0.00 C ATOM 526 C ARG A 36 -8.189 3.980 -32.320 1.00 0.00 C ATOM 527 O ARG A 36 -7.108 4.557 -32.426 1.00 0.00 O ATOM 528 CB ARG A 36 -9.224 3.193 -34.458 1.00 0.00 C ATOM 529 CG ARG A 36 -8.286 3.735 -35.524 1.00 0.00 C ATOM 530 CD ARG A 36 -8.713 3.295 -36.916 1.00 0.00 C ATOM 531 NE ARG A 36 -8.081 2.039 -37.311 1.00 0.00 N ATOM 532 CZ ARG A 36 -6.830 1.951 -37.748 1.00 0.00 C ATOM 533 NH1 ARG A 36 -6.080 3.040 -37.845 1.00 0.00 N ATOM 534 NH2 ARG A 36 -6.326 0.772 -38.088 1.00 0.00 N ATOM 0 H ARG A 36 -10.334 1.978 -32.498 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.573 2.265 -33.440 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.771 2.343 -34.865 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.961 3.958 -34.211 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.267 4.824 -35.475 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.271 3.390 -35.327 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.797 3.180 -36.943 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.457 4.072 -37.636 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.631 1.182 -37.248 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.464 3.948 -37.584 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.119 2.969 -38.181 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.899 -0.068 -38.014 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.365 0.706 -38.424 1.00 0.00 H new ATOM 548 N GLU A 37 -9.138 4.367 -31.474 1.00 0.00 N ATOM 549 CA GLU A 37 -8.957 5.521 -30.601 1.00 0.00 C ATOM 550 C GLU A 37 -7.984 5.200 -29.469 1.00 0.00 C ATOM 551 O GLU A 37 -7.396 6.098 -28.867 1.00 0.00 O ATOM 552 CB GLU A 37 -10.301 5.966 -30.021 1.00 0.00 C ATOM 553 CG GLU A 37 -10.946 7.108 -30.789 1.00 0.00 C ATOM 554 CD GLU A 37 -11.121 8.354 -29.943 1.00 0.00 C ATOM 555 OE1 GLU A 37 -12.006 8.355 -29.062 1.00 0.00 O ATOM 556 OE2 GLU A 37 -10.372 9.329 -30.162 1.00 0.00 O ATOM 0 H GLU A 37 -10.039 3.899 -31.374 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.540 6.333 -31.197 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.982 5.115 -30.011 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.157 6.272 -28.985 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.334 7.347 -31.659 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.919 6.787 -31.162 1.00 0.00 H new ATOM 563 N LYS A 38 -7.820 3.912 -29.186 1.00 0.00 N ATOM 564 CA LYS A 38 -6.920 3.470 -28.128 1.00 0.00 C ATOM 565 C LYS A 38 -7.355 4.024 -26.775 1.00 0.00 C ATOM 566 O LYS A 38 -6.525 4.463 -25.978 1.00 0.00 O ATOM 567 CB LYS A 38 -5.486 3.909 -28.434 1.00 0.00 C ATOM 568 CG LYS A 38 -5.039 3.585 -29.849 1.00 0.00 C ATOM 569 CD LYS A 38 -3.752 2.778 -29.856 1.00 0.00 C ATOM 570 CE LYS A 38 -2.938 3.037 -31.115 1.00 0.00 C ATOM 571 NZ LYS A 38 -1.480 3.119 -30.826 1.00 0.00 N ATOM 0 H LYS A 38 -8.299 3.156 -29.675 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.959 2.382 -28.084 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.402 4.984 -28.273 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.809 3.427 -27.729 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.823 3.026 -30.360 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.892 4.510 -30.406 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.157 3.032 -28.978 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.987 1.716 -29.785 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.121 2.240 -31.836 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.269 3.967 -31.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.960 3.296 -31.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.302 3.896 -30.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.158 2.222 -30.409 1.00 0.00 H new ATOM 585 N ILE A 39 -8.659 4.000 -26.523 1.00 0.00 N ATOM 586 CA ILE A 39 -9.202 4.498 -25.265 1.00 0.00 C ATOM 587 C ILE A 39 -8.605 3.755 -24.075 1.00 0.00 C ATOM 588 O ILE A 39 -8.886 2.576 -23.862 1.00 0.00 O ATOM 589 CB ILE A 39 -10.736 4.364 -25.223 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.369 5.126 -26.389 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.276 4.874 -23.895 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.099 6.614 -26.357 1.00 0.00 C ATOM 0 H ILE A 39 -9.359 3.641 -27.173 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.935 5.553 -25.202 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.996 3.310 -25.319 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.993 4.717 -27.327 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.446 4.960 -26.378 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.361 4.773 -23.881 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.846 4.292 -23.080 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.008 5.923 -23.772 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.578 7.089 -27.213 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.500 7.037 -25.436 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.024 6.790 -26.399 1.00 0.00 H new ATOM 604 N SER A 40 -7.780 4.454 -23.302 1.00 0.00 N ATOM 605 CA SER A 40 -7.141 3.860 -22.133 1.00 0.00 C ATOM 606 C SER A 40 -8.082 3.876 -20.932 1.00 0.00 C ATOM 607 O SER A 40 -9.070 4.609 -20.913 1.00 0.00 O ATOM 608 CB SER A 40 -5.851 4.609 -21.796 1.00 0.00 C ATOM 609 OG SER A 40 -5.807 5.868 -22.445 1.00 0.00 O ATOM 0 H SER A 40 -7.538 5.432 -23.464 1.00 0.00 H new ATOM 0 HA SER A 40 -6.900 2.823 -22.368 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.780 4.750 -20.717 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.991 4.011 -22.097 1.00 0.00 H new ATOM 0 HG SER A 40 -4.973 6.327 -22.212 1.00 0.00 H new ATOM 615 N GLY A 41 -7.766 3.062 -19.930 1.00 0.00 N ATOM 616 CA GLY A 41 -8.592 2.997 -18.738 1.00 0.00 C ATOM 617 C GLY A 41 -8.710 4.338 -18.041 1.00 0.00 C ATOM 618 O GLY A 41 -9.799 4.734 -17.624 1.00 0.00 O ATOM 0 H GLY A 41 -6.953 2.446 -19.922 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.587 2.642 -19.008 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.170 2.267 -18.047 1.00 0.00 H new ATOM 622 N ASP A 42 -7.588 5.038 -17.914 1.00 0.00 N ATOM 623 CA ASP A 42 -7.570 6.342 -17.262 1.00 0.00 C ATOM 624 C ASP A 42 -8.621 7.267 -17.868 1.00 0.00 C ATOM 625 O ASP A 42 -9.155 8.144 -17.189 1.00 0.00 O ATOM 626 CB ASP A 42 -6.184 6.977 -17.381 1.00 0.00 C ATOM 627 CG ASP A 42 -6.099 8.318 -16.681 1.00 0.00 C ATOM 628 OD1 ASP A 42 -5.834 8.335 -15.461 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.299 9.352 -17.352 1.00 0.00 O ATOM 0 H ASP A 42 -6.679 4.724 -18.254 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.805 6.197 -16.208 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.441 6.302 -16.957 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.935 7.104 -18.435 1.00 0.00 H new ATOM 634 N GLN A 43 -8.912 7.065 -19.149 1.00 0.00 N ATOM 635 CA GLN A 43 -9.897 7.882 -19.846 1.00 0.00 C ATOM 636 C GLN A 43 -11.295 7.289 -19.705 1.00 0.00 C ATOM 637 O GLN A 43 -12.292 8.013 -19.706 1.00 0.00 O ATOM 638 CB GLN A 43 -9.531 8.009 -21.326 1.00 0.00 C ATOM 639 CG GLN A 43 -8.301 8.867 -21.577 1.00 0.00 C ATOM 640 CD GLN A 43 -8.003 9.041 -23.053 1.00 0.00 C ATOM 641 OE1 GLN A 43 -6.890 8.775 -23.508 1.00 0.00 O ATOM 642 NE2 GLN A 43 -8.998 9.488 -23.810 1.00 0.00 N ATOM 0 H GLN A 43 -8.480 6.343 -19.725 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.895 8.873 -19.392 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.359 7.014 -21.736 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.377 8.435 -21.866 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.447 9.847 -21.122 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.440 8.413 -21.087 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.904 9.696 -23.391 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.856 9.624 -24.811 1.00 0.00 H new ATOM 651 N LEU A 44 -11.362 5.967 -19.584 1.00 0.00 N ATOM 652 CA LEU A 44 -12.638 5.275 -19.443 1.00 0.00 C ATOM 653 C LEU A 44 -13.268 5.568 -18.085 1.00 0.00 C ATOM 654 O LEU A 44 -14.436 5.951 -18.000 1.00 0.00 O ATOM 655 CB LEU A 44 -12.445 3.768 -19.614 1.00 0.00 C ATOM 656 CG LEU A 44 -13.649 2.893 -19.262 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.874 3.330 -20.049 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.338 1.427 -19.526 1.00 0.00 C ATOM 0 H LEU A 44 -10.547 5.353 -19.581 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.309 5.639 -20.221 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.170 3.572 -20.650 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.602 3.457 -18.996 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.863 3.013 -18.200 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.721 2.696 -19.786 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.109 4.367 -19.810 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.672 3.240 -21.116 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.206 0.819 -19.270 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.097 1.290 -20.580 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.488 1.120 -18.917 1.00 0.00 H new ATOM 670 N LEU A 45 -12.488 5.388 -17.025 1.00 0.00 N ATOM 671 CA LEU A 45 -12.969 5.635 -15.670 1.00 0.00 C ATOM 672 C LEU A 45 -13.589 7.024 -15.557 1.00 0.00 C ATOM 673 O LEU A 45 -14.635 7.199 -14.933 1.00 0.00 O ATOM 674 CB LEU A 45 -11.823 5.492 -14.667 1.00 0.00 C ATOM 675 CG LEU A 45 -11.469 4.064 -14.251 1.00 0.00 C ATOM 676 CD1 LEU A 45 -9.981 3.945 -13.962 1.00 0.00 C ATOM 677 CD2 LEU A 45 -12.285 3.646 -13.036 1.00 0.00 C ATOM 0 H LEU A 45 -11.520 5.072 -17.077 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.737 4.895 -15.443 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.934 5.956 -15.094 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.079 6.057 -13.771 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.712 3.395 -15.076 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.748 2.922 -13.668 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.415 4.203 -14.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.712 4.625 -13.154 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.021 2.627 -12.753 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.073 4.320 -12.206 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.347 3.692 -13.278 1.00 0.00 H new ATOM 689 N ARG A 46 -12.937 8.009 -16.167 1.00 0.00 N ATOM 690 CA ARG A 46 -13.424 9.382 -16.136 1.00 0.00 C ATOM 691 C ARG A 46 -14.027 9.776 -17.481 1.00 0.00 C ATOM 692 O ARG A 46 -14.051 10.954 -17.841 1.00 0.00 O ATOM 693 CB ARG A 46 -12.289 10.341 -15.774 1.00 0.00 C ATOM 694 CG ARG A 46 -11.185 10.400 -16.817 1.00 0.00 C ATOM 695 CD ARG A 46 -11.132 11.759 -17.496 1.00 0.00 C ATOM 696 NE ARG A 46 -10.146 12.642 -16.879 1.00 0.00 N ATOM 697 CZ ARG A 46 -9.714 13.766 -17.438 1.00 0.00 C ATOM 698 NH1 ARG A 46 -10.177 14.142 -18.622 1.00 0.00 N ATOM 699 NH2 ARG A 46 -8.815 14.517 -16.814 1.00 0.00 N ATOM 0 H ARG A 46 -12.070 7.881 -16.689 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.202 9.447 -15.375 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.700 11.341 -15.635 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.859 10.038 -14.819 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.225 10.190 -16.345 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.348 9.624 -17.565 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.891 11.628 -18.551 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.116 12.226 -17.449 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.768 12.381 -15.968 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.867 13.567 -19.106 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.843 15.006 -19.049 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.455 14.231 -15.904 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.484 15.380 -17.245 1.00 0.00 H new ATOM 713 N ILE A 47 -14.511 8.784 -18.220 1.00 0.00 N ATOM 714 CA ILE A 47 -15.114 9.027 -19.525 1.00 0.00 C ATOM 715 C ILE A 47 -16.310 9.967 -19.411 1.00 0.00 C ATOM 716 O ILE A 47 -17.150 9.817 -18.523 1.00 0.00 O ATOM 717 CB ILE A 47 -15.569 7.713 -20.188 1.00 0.00 C ATOM 718 CG1 ILE A 47 -15.993 7.968 -21.636 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.709 7.088 -19.399 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.220 7.149 -22.645 1.00 0.00 C ATOM 0 H ILE A 47 -14.498 7.804 -17.938 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.348 9.491 -20.146 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.731 7.016 -20.191 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.056 7.748 -21.739 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -15.863 9.026 -21.863 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -17.019 6.160 -19.880 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.375 6.876 -18.383 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.551 7.779 -19.367 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.574 7.381 -23.650 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.159 7.386 -22.570 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.370 6.088 -22.444 1.00 0.00 H new ATOM 732 N THR A 48 -16.382 10.935 -20.319 1.00 0.00 N ATOM 733 CA THR A 48 -17.475 11.900 -20.322 1.00 0.00 C ATOM 734 C THR A 48 -18.237 11.862 -21.642 1.00 0.00 C ATOM 735 O THR A 48 -17.753 11.319 -22.635 1.00 0.00 O ATOM 736 CB THR A 48 -16.961 13.332 -20.080 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.059 14.251 -20.071 1.00 0.00 O ATOM 738 CG2 THR A 48 -15.962 13.737 -21.153 1.00 0.00 C ATOM 0 H THR A 48 -15.697 11.072 -21.062 1.00 0.00 H new ATOM 0 HA THR A 48 -18.146 11.621 -19.510 1.00 0.00 H new ATOM 0 HB THR A 48 -16.460 13.356 -19.112 1.00 0.00 H new ATOM 0 HG1 THR A 48 -17.724 15.159 -19.915 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.613 14.752 -20.961 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.114 13.053 -21.137 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.442 13.697 -22.131 1.00 0.00 H new ATOM 746 N HIS A 49 -19.433 12.443 -21.646 1.00 0.00 N ATOM 747 CA HIS A 49 -20.262 12.477 -22.845 1.00 0.00 C ATOM 748 C HIS A 49 -19.478 13.028 -24.033 1.00 0.00 C ATOM 749 O HIS A 49 -19.675 12.602 -25.170 1.00 0.00 O ATOM 750 CB HIS A 49 -21.510 13.327 -22.604 1.00 0.00 C ATOM 751 CG HIS A 49 -22.711 12.527 -22.204 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.588 11.814 -22.949 1.00 0.00 N flip ATOM 753 CD2 HIS A 49 -23.128 12.398 -20.896 1.00 0.00 C flip ATOM 754 CE1 HIS A 49 -24.508 11.271 -22.086 1.00 0.00 C flip ATOM 755 NE2 HIS A 49 -24.208 11.638 -20.854 1.00 0.00 N flip ATOM 0 H HIS A 49 -19.849 12.896 -20.833 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.566 11.456 -23.075 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.296 14.060 -21.826 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -21.741 13.884 -23.512 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -22.647 12.848 -20.040 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.342 10.645 -22.369 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -24.723 11.379 -20.012 1.00 0.00 H new ATOM 763 N GLN A 50 -18.590 13.979 -23.759 1.00 0.00 N ATOM 764 CA GLN A 50 -17.778 14.589 -24.805 1.00 0.00 C ATOM 765 C GLN A 50 -16.890 13.549 -25.481 1.00 0.00 C ATOM 766 O GLN A 50 -16.673 13.598 -26.692 1.00 0.00 O ATOM 767 CB GLN A 50 -16.917 15.711 -24.223 1.00 0.00 C ATOM 768 CG GLN A 50 -16.920 16.978 -25.062 1.00 0.00 C ATOM 769 CD GLN A 50 -15.581 17.689 -25.051 1.00 0.00 C ATOM 770 OE1 GLN A 50 -15.376 18.640 -24.296 1.00 0.00 O ATOM 771 NE2 GLN A 50 -14.660 17.231 -25.891 1.00 0.00 N ATOM 0 H GLN A 50 -18.415 14.343 -22.822 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.450 15.008 -25.554 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.273 15.948 -23.221 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.892 15.355 -24.121 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.186 16.728 -26.089 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -17.689 17.654 -24.689 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.873 16.440 -26.499 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.740 17.670 -25.928 1.00 0.00 H new ATOM 780 N GLU A 51 -16.380 12.610 -24.691 1.00 0.00 N ATOM 781 CA GLU A 51 -15.515 11.559 -25.215 1.00 0.00 C ATOM 782 C GLU A 51 -16.301 10.598 -26.101 1.00 0.00 C ATOM 783 O GLU A 51 -15.928 10.347 -27.248 1.00 0.00 O ATOM 784 CB GLU A 51 -14.858 10.790 -24.067 1.00 0.00 C ATOM 785 CG GLU A 51 -13.692 11.526 -23.429 1.00 0.00 C ATOM 786 CD GLU A 51 -12.362 10.844 -23.684 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.178 9.705 -23.207 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.505 11.450 -24.360 1.00 0.00 O ATOM 0 H GLU A 51 -16.550 12.555 -23.687 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.739 12.030 -25.819 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.608 10.584 -23.303 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.509 9.827 -24.439 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.654 12.544 -23.816 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.858 11.600 -22.354 1.00 0.00 H new ATOM 795 N LEU A 52 -17.391 10.063 -25.563 1.00 0.00 N ATOM 796 CA LEU A 52 -18.231 9.129 -26.304 1.00 0.00 C ATOM 797 C LEU A 52 -18.660 9.725 -27.641 1.00 0.00 C ATOM 798 O LEU A 52 -18.633 9.049 -28.669 1.00 0.00 O ATOM 799 CB LEU A 52 -19.465 8.757 -25.479 1.00 0.00 C ATOM 800 CG LEU A 52 -19.276 7.637 -24.456 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.313 7.745 -23.348 1.00 0.00 C ATOM 802 CD2 LEU A 52 -19.355 6.277 -25.133 1.00 0.00 C ATOM 0 H LEU A 52 -17.714 10.260 -24.616 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.647 8.230 -26.499 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.808 9.648 -24.953 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.261 8.465 -26.164 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.287 7.741 -24.010 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.163 6.939 -22.629 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.208 8.706 -22.844 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.312 7.667 -23.776 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -19.218 5.492 -24.389 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.330 6.162 -25.607 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.573 6.201 -25.889 1.00 0.00 H new ATOM 814 N GLU A 53 -19.053 10.995 -27.619 1.00 0.00 N ATOM 815 CA GLU A 53 -19.485 11.681 -28.830 1.00 0.00 C ATOM 816 C GLU A 53 -18.386 11.662 -29.888 1.00 0.00 C ATOM 817 O GLU A 53 -18.646 11.411 -31.065 1.00 0.00 O ATOM 818 CB GLU A 53 -19.877 13.126 -28.513 1.00 0.00 C ATOM 819 CG GLU A 53 -21.286 13.485 -28.951 1.00 0.00 C ATOM 820 CD GLU A 53 -21.843 14.682 -28.205 1.00 0.00 C ATOM 821 OE1 GLU A 53 -21.267 15.782 -28.336 1.00 0.00 O ATOM 822 OE2 GLU A 53 -22.853 14.518 -27.489 1.00 0.00 O ATOM 0 H GLU A 53 -19.081 11.569 -26.776 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.354 11.154 -29.224 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -19.786 13.291 -27.439 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.172 13.800 -28.999 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.287 13.696 -30.020 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.940 12.628 -28.794 1.00 0.00 H new ATOM 829 N ASP A 54 -17.157 11.928 -29.461 1.00 0.00 N ATOM 830 CA ASP A 54 -16.017 11.941 -30.370 1.00 0.00 C ATOM 831 C ASP A 54 -15.832 10.578 -31.030 1.00 0.00 C ATOM 832 O ASP A 54 -15.531 10.489 -32.221 1.00 0.00 O ATOM 833 CB ASP A 54 -14.743 12.335 -29.620 1.00 0.00 C ATOM 834 CG ASP A 54 -13.776 13.114 -30.490 1.00 0.00 C ATOM 835 OD1 ASP A 54 -14.238 13.981 -31.262 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.558 12.857 -30.399 1.00 0.00 O ATOM 0 H ASP A 54 -16.924 12.138 -28.490 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.214 12.678 -31.149 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.008 12.935 -28.750 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.250 11.436 -29.249 1.00 0.00 H new ATOM 841 N LEU A 55 -16.013 9.519 -30.248 1.00 0.00 N ATOM 842 CA LEU A 55 -15.866 8.160 -30.756 1.00 0.00 C ATOM 843 C LEU A 55 -16.903 7.866 -31.836 1.00 0.00 C ATOM 844 O LEU A 55 -16.670 7.054 -32.730 1.00 0.00 O ATOM 845 CB LEU A 55 -16.002 7.150 -29.615 1.00 0.00 C ATOM 846 CG LEU A 55 -14.855 7.122 -28.603 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.396 6.999 -27.187 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.899 5.980 -28.913 1.00 0.00 C ATOM 0 H LEU A 55 -16.262 9.576 -29.260 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.873 8.070 -31.197 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.928 7.360 -29.079 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.103 6.155 -30.048 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.305 8.060 -28.679 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.566 6.981 -26.481 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.040 7.851 -26.968 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.971 6.077 -27.096 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.089 5.975 -28.183 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.436 5.033 -28.865 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.486 6.113 -29.913 1.00 0.00 H new ATOM 860 N GLY A 56 -18.049 8.535 -31.746 1.00 0.00 N ATOM 861 CA GLY A 56 -19.103 8.334 -32.723 1.00 0.00 C ATOM 862 C GLY A 56 -20.458 8.122 -32.077 1.00 0.00 C ATOM 863 O GLY A 56 -21.494 8.288 -32.722 1.00 0.00 O ATOM 0 H GLY A 56 -18.266 9.212 -31.014 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.151 9.199 -33.385 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.860 7.471 -33.343 1.00 0.00 H new ATOM 867 N VAL A 57 -20.452 7.752 -30.801 1.00 0.00 N ATOM 868 CA VAL A 57 -21.690 7.516 -30.067 1.00 0.00 C ATOM 869 C VAL A 57 -22.539 8.780 -30.000 1.00 0.00 C ATOM 870 O VAL A 57 -22.342 9.627 -29.128 1.00 0.00 O ATOM 871 CB VAL A 57 -21.409 7.022 -28.636 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.701 6.598 -27.953 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.406 5.879 -28.654 1.00 0.00 C ATOM 0 H VAL A 57 -19.603 7.609 -30.253 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.236 6.744 -30.609 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.978 7.844 -28.065 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.482 6.252 -26.943 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.383 7.447 -27.906 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.165 5.791 -28.520 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.219 5.543 -27.634 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.807 5.053 -29.241 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.472 6.221 -29.100 1.00 0.00 H new ATOM 883 N SER A 58 -23.484 8.902 -30.926 1.00 0.00 N ATOM 884 CA SER A 58 -24.362 10.066 -30.974 1.00 0.00 C ATOM 885 C SER A 58 -25.624 9.829 -30.150 1.00 0.00 C ATOM 886 O SER A 58 -26.178 10.758 -29.563 1.00 0.00 O ATOM 887 CB SER A 58 -24.737 10.388 -32.422 1.00 0.00 C ATOM 888 OG SER A 58 -25.242 9.242 -33.085 1.00 0.00 O ATOM 0 H SER A 58 -23.662 8.209 -31.653 1.00 0.00 H new ATOM 0 HA SER A 58 -23.825 10.914 -30.548 1.00 0.00 H new ATOM 0 HB2 SER A 58 -25.485 11.181 -32.440 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.862 10.763 -32.953 1.00 0.00 H new ATOM 0 HG SER A 58 -25.476 9.474 -34.008 1.00 0.00 H new ATOM 894 N ARG A 59 -26.072 8.578 -30.112 1.00 0.00 N ATOM 895 CA ARG A 59 -27.269 8.218 -29.362 1.00 0.00 C ATOM 896 C ARG A 59 -27.106 8.559 -27.883 1.00 0.00 C ATOM 897 O ARG A 59 -26.012 8.898 -27.431 1.00 0.00 O ATOM 898 CB ARG A 59 -27.567 6.726 -29.522 1.00 0.00 C ATOM 899 CG ARG A 59 -28.762 6.437 -30.416 1.00 0.00 C ATOM 900 CD ARG A 59 -28.408 6.592 -31.887 1.00 0.00 C ATOM 901 NE ARG A 59 -29.592 6.563 -32.741 1.00 0.00 N ATOM 902 CZ ARG A 59 -30.395 7.606 -32.920 1.00 0.00 C ATOM 903 NH1 ARG A 59 -30.142 8.755 -32.308 1.00 0.00 N ATOM 904 NH2 ARG A 59 -31.454 7.502 -33.713 1.00 0.00 N ATOM 0 H ARG A 59 -25.624 7.797 -30.592 1.00 0.00 H new ATOM 0 HA ARG A 59 -28.105 8.793 -29.761 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.688 6.230 -29.933 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.746 6.292 -28.538 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -29.119 5.424 -30.231 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -29.578 7.114 -30.164 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -27.877 7.533 -32.035 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -27.728 5.793 -32.182 1.00 0.00 H new ATOM 0 HE ARG A 59 -29.815 5.694 -33.227 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -29.329 8.840 -31.698 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -30.760 9.554 -32.447 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -31.652 6.620 -34.186 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -32.070 8.304 -33.849 1.00 0.00 H new ATOM 918 N ILE A 60 -28.202 8.468 -27.137 1.00 0.00 N ATOM 919 CA ILE A 60 -28.181 8.766 -25.710 1.00 0.00 C ATOM 920 C ILE A 60 -28.334 7.496 -24.881 1.00 0.00 C ATOM 921 O ILE A 60 -27.585 7.268 -23.931 1.00 0.00 O ATOM 922 CB ILE A 60 -29.297 9.755 -25.325 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.189 11.031 -26.163 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.226 10.082 -23.841 1.00 0.00 C ATOM 925 CD1 ILE A 60 -27.869 11.750 -26.002 1.00 0.00 C ATOM 0 H ILE A 60 -29.115 8.190 -27.497 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.214 9.222 -25.497 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.261 9.289 -25.529 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.330 10.779 -27.214 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -29.998 11.707 -25.886 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.021 10.782 -23.584 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.347 9.167 -23.261 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.259 10.531 -23.613 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -27.864 12.645 -26.625 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -27.734 12.034 -24.958 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.056 11.091 -26.307 1.00 0.00 H new ATOM 937 N GLY A 61 -29.309 6.670 -25.247 1.00 0.00 N ATOM 938 CA GLY A 61 -29.542 5.431 -24.528 1.00 0.00 C ATOM 939 C GLY A 61 -28.327 4.524 -24.527 1.00 0.00 C ATOM 940 O GLY A 61 -28.198 3.649 -23.670 1.00 0.00 O ATOM 0 H GLY A 61 -29.942 6.837 -26.029 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.823 5.659 -23.500 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.384 4.905 -24.979 1.00 0.00 H new ATOM 944 N HIS A 62 -27.435 4.732 -25.489 1.00 0.00 N ATOM 945 CA HIS A 62 -26.225 3.925 -25.597 1.00 0.00 C ATOM 946 C HIS A 62 -25.092 4.531 -24.774 1.00 0.00 C ATOM 947 O HIS A 62 -24.280 3.811 -24.194 1.00 0.00 O ATOM 948 CB HIS A 62 -25.797 3.800 -27.060 1.00 0.00 C ATOM 949 CG HIS A 62 -26.890 3.318 -27.963 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.967 3.656 -29.298 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.953 2.517 -27.718 1.00 0.00 C ATOM 952 CE1 HIS A 62 -28.031 3.085 -29.834 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.646 2.388 -28.896 1.00 0.00 N ATOM 0 H HIS A 62 -27.527 5.452 -26.205 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.445 2.932 -25.205 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.447 4.770 -27.412 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.953 3.114 -27.126 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -28.209 2.064 -26.772 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.344 3.173 -30.864 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -29.498 1.842 -29.026 1.00 0.00 H new ATOM 961 N GLN A 63 -25.045 5.859 -24.729 1.00 0.00 N ATOM 962 CA GLN A 63 -24.011 6.561 -23.978 1.00 0.00 C ATOM 963 C GLN A 63 -24.108 6.242 -22.490 1.00 0.00 C ATOM 964 O GLN A 63 -23.094 6.150 -21.799 1.00 0.00 O ATOM 965 CB GLN A 63 -24.129 8.071 -24.197 1.00 0.00 C ATOM 966 CG GLN A 63 -23.696 8.520 -25.583 1.00 0.00 C ATOM 967 CD GLN A 63 -23.963 9.992 -25.829 1.00 0.00 C ATOM 968 OE1 GLN A 63 -25.015 10.514 -25.459 1.00 0.00 O ATOM 969 NE2 GLN A 63 -23.010 10.670 -26.458 1.00 0.00 N ATOM 0 H GLN A 63 -25.710 6.470 -25.203 1.00 0.00 H new ATOM 0 HA GLN A 63 -23.040 6.223 -24.341 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.163 8.374 -24.033 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.523 8.586 -23.451 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.632 8.322 -25.709 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -24.222 7.929 -26.333 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.154 10.197 -26.747 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.134 11.664 -26.652 1.00 0.00 H new ATOM 978 N GLU A 64 -25.334 6.076 -22.003 1.00 0.00 N ATOM 979 CA GLU A 64 -25.561 5.768 -20.596 1.00 0.00 C ATOM 980 C GLU A 64 -25.377 4.277 -20.328 1.00 0.00 C ATOM 981 O GLU A 64 -24.979 3.876 -19.234 1.00 0.00 O ATOM 982 CB GLU A 64 -26.967 6.203 -20.177 1.00 0.00 C ATOM 983 CG GLU A 64 -27.035 7.632 -19.666 1.00 0.00 C ATOM 984 CD GLU A 64 -27.229 7.705 -18.163 1.00 0.00 C ATOM 985 OE1 GLU A 64 -28.390 7.637 -17.710 1.00 0.00 O ATOM 986 OE2 GLU A 64 -26.218 7.831 -17.441 1.00 0.00 O ATOM 0 H GLU A 64 -26.184 6.150 -22.562 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.827 6.318 -20.007 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.639 6.098 -21.028 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.330 5.530 -19.400 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.117 8.155 -19.936 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.855 8.152 -20.160 1.00 0.00 H new ATOM 993 N LEU A 65 -25.669 3.461 -21.335 1.00 0.00 N ATOM 994 CA LEU A 65 -25.537 2.014 -21.209 1.00 0.00 C ATOM 995 C LEU A 65 -24.107 1.627 -20.844 1.00 0.00 C ATOM 996 O LEU A 65 -23.883 0.811 -19.950 1.00 0.00 O ATOM 997 CB LEU A 65 -25.945 1.329 -22.515 1.00 0.00 C ATOM 998 CG LEU A 65 -27.395 0.851 -22.597 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.788 0.587 -24.042 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.593 -0.399 -21.751 1.00 0.00 C ATOM 0 H LEU A 65 -25.999 3.777 -22.247 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.199 1.682 -20.409 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.765 2.022 -23.337 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -25.291 0.471 -22.672 1.00 0.00 H new ATOM 0 HG LEU A 65 -28.040 1.637 -22.204 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.823 0.248 -24.081 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.685 1.505 -24.621 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -27.138 -0.181 -24.461 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.631 -0.725 -21.821 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.938 -1.191 -22.114 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -27.352 -0.177 -20.711 1.00 0.00 H new ATOM 1012 N ILE A 66 -23.143 2.220 -21.541 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.735 1.940 -21.288 1.00 0.00 C ATOM 1014 C ILE A 66 -21.314 2.441 -19.911 1.00 0.00 C ATOM 1015 O ILE A 66 -20.600 1.753 -19.179 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.832 2.587 -22.355 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -21.208 2.079 -23.749 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.369 2.296 -22.057 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.607 2.894 -24.872 1.00 0.00 C ATOM 0 H ILE A 66 -23.311 2.897 -22.285 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.616 0.857 -21.330 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.981 3.667 -22.330 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.884 1.043 -23.849 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.293 2.084 -23.848 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.743 2.760 -22.820 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -19.109 2.701 -21.079 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.205 1.218 -22.059 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.916 2.476 -25.830 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.951 3.925 -24.798 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.520 2.868 -24.799 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.762 3.642 -19.562 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.433 4.235 -18.270 1.00 0.00 C ATOM 1033 C LEU A 67 -22.010 3.405 -17.127 1.00 0.00 C ATOM 1034 O LEU A 67 -21.336 3.155 -16.129 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.966 5.667 -18.194 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.463 6.628 -19.273 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.417 7.802 -19.428 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.061 7.117 -18.940 1.00 0.00 C ATOM 0 H LEU A 67 -22.354 4.224 -20.155 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.348 4.251 -18.171 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.054 5.632 -18.246 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.706 6.079 -17.219 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.423 6.092 -20.221 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -22.043 8.475 -20.200 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.403 7.435 -19.713 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.490 8.339 -18.482 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.719 7.799 -19.718 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.075 7.637 -17.982 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.383 6.265 -18.881 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.260 2.981 -17.283 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.926 2.178 -16.264 1.00 0.00 C ATOM 1052 C GLU A 68 -23.073 0.972 -15.878 1.00 0.00 C ATOM 1053 O GLU A 68 -23.129 0.497 -14.745 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.293 1.710 -16.765 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.130 1.022 -15.699 1.00 0.00 C ATOM 1056 CD GLU A 68 -26.546 -0.380 -16.099 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -25.660 -1.178 -16.471 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -27.757 -0.679 -16.040 1.00 0.00 O ATOM 0 H GLU A 68 -23.831 3.180 -18.104 1.00 0.00 H new ATOM 0 HA GLU A 68 -24.065 2.801 -15.380 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.843 2.569 -17.149 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.149 1.025 -17.600 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -25.562 0.977 -14.769 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -27.020 1.618 -15.500 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.285 0.483 -16.830 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.420 -0.665 -16.591 1.00 0.00 C ATOM 1067 C ALA A 69 -20.140 -0.249 -15.874 1.00 0.00 C ATOM 1068 O ALA A 69 -19.623 -0.980 -15.030 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.090 -1.360 -17.903 1.00 0.00 C ATOM 0 H ALA A 69 -22.228 0.864 -17.774 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.955 -1.363 -15.947 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.443 -2.216 -17.709 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.011 -1.701 -18.376 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.579 -0.662 -18.566 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.633 0.932 -16.216 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.413 1.446 -15.605 1.00 0.00 C ATOM 1077 C VAL A 70 -18.582 1.613 -14.099 1.00 0.00 C ATOM 1078 O VAL A 70 -17.648 1.382 -13.330 1.00 0.00 O ATOM 1079 CB VAL A 70 -18.005 2.798 -16.219 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.749 3.332 -15.547 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.800 2.662 -17.720 1.00 0.00 C ATOM 0 H VAL A 70 -20.049 1.550 -16.913 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.628 0.716 -15.801 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.811 3.512 -16.049 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.476 4.288 -15.994 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.937 3.470 -14.482 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.934 2.622 -15.683 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.512 3.627 -18.137 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.013 1.933 -17.915 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.727 2.328 -18.185 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.778 2.016 -13.685 1.00 0.00 N ATOM 1092 CA ASP A 71 -20.070 2.214 -12.270 1.00 0.00 C ATOM 1093 C ASP A 71 -19.705 0.973 -11.461 1.00 0.00 C ATOM 1094 O ASP A 71 -19.275 1.072 -10.311 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.550 2.548 -12.074 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.817 3.244 -10.754 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -21.511 4.450 -10.647 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -22.330 2.582 -9.827 1.00 0.00 O ATOM 0 H ASP A 71 -20.561 2.212 -14.309 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.467 3.049 -11.914 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.887 3.185 -12.892 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -22.136 1.630 -12.122 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.880 -0.196 -12.069 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.570 -1.457 -11.406 1.00 0.00 C ATOM 1105 C LEU A 72 -18.062 -1.665 -11.307 1.00 0.00 C ATOM 1106 O LEU A 72 -17.570 -2.283 -10.362 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.209 -2.624 -12.161 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.698 -2.856 -11.904 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.376 -3.403 -13.150 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -21.895 -3.802 -10.729 1.00 0.00 C ATOM 0 H LEU A 72 -20.235 -0.296 -13.020 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.979 -1.418 -10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.067 -2.461 -13.229 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.670 -3.536 -11.903 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.157 -1.899 -11.656 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.435 -3.562 -12.948 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.265 -2.690 -13.967 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.914 -4.350 -13.430 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -22.961 -3.956 -10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.421 -4.759 -10.948 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.445 -3.370 -9.835 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.333 -1.142 -12.287 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.880 -1.268 -12.310 1.00 0.00 C ATOM 1124 C LEU A 73 -15.245 -0.448 -11.191 1.00 0.00 C ATOM 1125 O LEU A 73 -14.273 -0.878 -10.569 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.331 -0.816 -13.664 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.018 -1.927 -14.667 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.717 -1.341 -16.037 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -13.851 -2.774 -14.178 1.00 0.00 C ATOM 0 H LEU A 73 -17.724 -0.627 -13.076 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.628 -2.317 -12.155 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.053 -0.137 -14.118 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.420 -0.243 -13.491 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.895 -2.568 -14.755 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.497 -2.147 -16.737 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.582 -0.780 -16.391 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.856 -0.676 -15.967 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.642 -3.560 -14.904 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.969 -2.145 -14.060 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.105 -3.225 -13.219 1.00 0.00 H new