USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 803 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 79 THR OG1 : rot 100:sc= -0.502 USER MOD Set 1.2: A 80 ASN :FLIP amide:sc= -3.2! C(o=-6.8!,f=-3.7!) USER MOD Set 2.1: A 17 ASN :FLIP amide:sc= -1.08 F(o=-3.5!,f=-0.94) USER MOD Set 2.2: A 20 THR OG1 : rot 73:sc= 0.14 USER MOD Single : A 1 LEU N :NH3+ 136:sc= -1.73! (180deg=-2.29!) USER MOD Single : A 2 LYS NZ :NH3+ 155:sc= -0.732 (180deg=-1.47) USER MOD Single : A 14 ASN : amide:sc= -0.488 K(o=-0.49,f=-6.6!) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.045 (180deg=-0.428) USER MOD Single : A 25 HIS : no HD1:sc= -6.23! C(o=-6.2!,f=-12!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.781 F(o=-4.5!,f=-0.78) USER MOD Single : A 29 SER OG : rot 71:sc= 0.57 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.483 F(o=-2.9!,f=-0.48) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0391 F(o=-1,f=-0.039) USER MOD Single : A 59 MET CE :methyl -153:sc= -0.257 (180deg=-1.33!) USER MOD Single : A 62 MET CE :methyl -163:sc= -0.103 (180deg=-0.48) USER MOD Single : A 69 MET CE :methyl 144:sc=-0.000684 (180deg=-2.16!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= -0.274 (180deg=-1.37!) USER MOD Single : A 76 ASN :FLIP amide:sc= -2.86! C(o=-14!,f=-2.9!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.466 F(o=-3.5!,f=-0.47) USER MOD Single : A 86 THR OG1 : rot -120:sc= -0.518 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -26:sc= 0.401 USER MOD Single : A 95 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.7!) USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= -0.0742 (180deg=-0.718) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 23.033 13.621 10.146 1.00 0.00 N ATOM 2 CA LEU A 1 24.149 12.838 10.749 1.00 0.00 C ATOM 3 C LEU A 1 24.750 13.631 11.912 1.00 0.00 C ATOM 4 O LEU A 1 24.673 13.227 13.055 1.00 0.00 O ATOM 5 CB LEU A 1 25.223 12.585 9.681 1.00 0.00 C ATOM 6 CG LEU A 1 26.428 11.851 10.290 1.00 0.00 C ATOM 7 CD1 LEU A 1 25.977 10.531 10.938 1.00 0.00 C ATOM 8 CD2 LEU A 1 27.442 11.558 9.180 1.00 0.00 C ATOM 0 H1 LEU A 1 23.103 13.583 9.109 1.00 0.00 H new ATOM 0 H2 LEU A 1 22.123 13.217 10.447 1.00 0.00 H new ATOM 0 H3 LEU A 1 23.093 14.610 10.461 1.00 0.00 H new ATOM 0 HA LEU A 1 23.776 11.883 11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 1 24.803 11.993 8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 1 25.547 13.533 9.251 1.00 0.00 H new ATOM 0 HG LEU A 1 26.883 12.478 11.057 1.00 0.00 H new ATOM 0 HD11 LEU A 1 26.841 10.022 11.365 1.00 0.00 H new ATOM 0 HD12 LEU A 1 25.253 10.741 11.726 1.00 0.00 H new ATOM 0 HD13 LEU A 1 25.517 9.894 10.183 1.00 0.00 H new ATOM 0 HD21 LEU A 1 28.302 11.037 9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 1 26.977 10.933 8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 1 27.770 12.495 8.730 1.00 0.00 H new ATOM 20 N LYS A 2 25.345 14.758 11.631 1.00 0.00 N ATOM 21 CA LYS A 2 25.946 15.573 12.724 1.00 0.00 C ATOM 22 C LYS A 2 24.836 16.315 13.470 1.00 0.00 C ATOM 23 O LYS A 2 24.936 16.575 14.653 1.00 0.00 O ATOM 24 CB LYS A 2 26.928 16.584 12.130 1.00 0.00 C ATOM 25 CG LYS A 2 28.014 15.844 11.345 1.00 0.00 C ATOM 26 CD LYS A 2 28.790 16.837 10.476 1.00 0.00 C ATOM 27 CE LYS A 2 29.407 17.927 11.357 1.00 0.00 C ATOM 28 NZ LYS A 2 29.989 17.310 12.583 1.00 0.00 N ATOM 0 H LYS A 2 25.441 15.149 10.694 1.00 0.00 H new ATOM 0 HA LYS A 2 26.477 14.919 13.416 1.00 0.00 H new ATOM 0 HB2 LYS A 2 26.400 17.277 11.475 1.00 0.00 H new ATOM 0 HB3 LYS A 2 27.380 17.177 12.925 1.00 0.00 H new ATOM 0 HG2 LYS A 2 28.693 15.339 12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 2 27.563 15.074 10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 2 29.573 16.317 9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 2 28.125 17.286 9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 2 30.180 18.461 10.804 1.00 0.00 H new ATOM 0 HE3 LYS A 2 28.648 18.660 11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 30.743 17.922 12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 29.246 17.200 13.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 30.384 16.377 12.348 1.00 0.00 H new ATOM 42 N GLU A 3 23.777 16.656 12.789 1.00 0.00 N ATOM 43 CA GLU A 3 22.660 17.378 13.459 1.00 0.00 C ATOM 44 C GLU A 3 21.816 16.380 14.254 1.00 0.00 C ATOM 45 O GLU A 3 22.303 15.359 14.698 1.00 0.00 O ATOM 46 CB GLU A 3 21.786 18.057 12.402 1.00 0.00 C ATOM 47 CG GLU A 3 22.651 18.970 11.533 1.00 0.00 C ATOM 48 CD GLU A 3 23.199 20.118 12.384 1.00 0.00 C ATOM 49 OE1 GLU A 3 22.496 21.104 12.535 1.00 0.00 O ATOM 50 OE2 GLU A 3 24.309 19.990 12.871 1.00 0.00 O ATOM 0 H GLU A 3 23.637 16.466 11.797 1.00 0.00 H new ATOM 0 HA GLU A 3 23.065 18.132 14.134 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.296 17.306 11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 3 20.998 18.636 12.884 1.00 0.00 H new ATOM 0 HG2 GLU A 3 23.473 18.402 11.097 1.00 0.00 H new ATOM 0 HG3 GLU A 3 22.063 19.366 10.705 1.00 0.00 H new ATOM 57 N VAL A 4 20.557 16.664 14.435 1.00 0.00 N ATOM 58 CA VAL A 4 19.686 15.728 15.200 1.00 0.00 C ATOM 59 C VAL A 4 19.422 14.476 14.359 1.00 0.00 C ATOM 60 O VAL A 4 20.178 14.144 13.469 1.00 0.00 O ATOM 61 CB VAL A 4 18.359 16.415 15.524 1.00 0.00 C ATOM 62 CG1 VAL A 4 18.622 17.650 16.389 1.00 0.00 C ATOM 63 CG2 VAL A 4 17.677 16.842 14.223 1.00 0.00 C ATOM 0 H VAL A 4 20.093 17.503 14.087 1.00 0.00 H new ATOM 0 HA VAL A 4 20.183 15.445 16.128 1.00 0.00 H new ATOM 0 HB VAL A 4 17.713 15.723 16.065 1.00 0.00 H new ATOM 0 HG11 VAL A 4 17.676 18.140 16.620 1.00 0.00 H new ATOM 0 HG12 VAL A 4 19.110 17.348 17.315 1.00 0.00 H new ATOM 0 HG13 VAL A 4 19.267 18.343 15.848 1.00 0.00 H new ATOM 0 HG21 VAL A 4 16.731 17.332 14.452 1.00 0.00 H new ATOM 0 HG22 VAL A 4 18.323 17.535 13.684 1.00 0.00 H new ATOM 0 HG23 VAL A 4 17.491 15.964 13.605 1.00 0.00 H new ATOM 73 N TRP A 5 18.354 13.778 14.635 1.00 0.00 N ATOM 74 CA TRP A 5 18.044 12.549 13.851 1.00 0.00 C ATOM 75 C TRP A 5 17.626 12.939 12.431 1.00 0.00 C ATOM 76 O TRP A 5 16.576 12.557 11.955 1.00 0.00 O ATOM 77 CB TRP A 5 16.903 11.787 14.526 1.00 0.00 C ATOM 78 CG TRP A 5 17.203 11.628 15.983 1.00 0.00 C ATOM 79 CD1 TRP A 5 18.169 10.832 16.494 1.00 0.00 C ATOM 80 CD2 TRP A 5 16.553 12.266 17.120 1.00 0.00 C ATOM 81 NE1 TRP A 5 18.154 10.939 17.873 1.00 0.00 N ATOM 82 CE2 TRP A 5 17.174 11.811 18.308 1.00 0.00 C ATOM 83 CE3 TRP A 5 15.494 13.185 17.235 1.00 0.00 C ATOM 84 CZ2 TRP A 5 16.759 12.255 19.565 1.00 0.00 C ATOM 85 CZ3 TRP A 5 15.075 13.633 18.498 1.00 0.00 C ATOM 86 CH2 TRP A 5 15.705 13.169 19.660 1.00 0.00 C ATOM 0 H TRP A 5 17.683 14.006 15.369 1.00 0.00 H new ATOM 0 HA TRP A 5 18.929 11.915 13.808 1.00 0.00 H new ATOM 0 HB2 TRP A 5 15.964 12.325 14.394 1.00 0.00 H new ATOM 0 HB3 TRP A 5 16.779 10.809 14.060 1.00 0.00 H new ATOM 0 HD1 TRP A 5 18.842 10.214 15.919 1.00 0.00 H new ATOM 0 HE1 TRP A 5 18.789 10.436 18.493 1.00 0.00 H new ATOM 0 HE3 TRP A 5 15.000 13.548 16.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 17.249 11.895 20.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 14.262 14.340 18.574 1.00 0.00 H new ATOM 0 HH2 TRP A 5 15.377 13.517 20.628 1.00 0.00 H new ATOM 97 N GLU A 6 18.442 13.696 11.750 1.00 0.00 N ATOM 98 CA GLU A 6 18.093 14.110 10.362 1.00 0.00 C ATOM 99 C GLU A 6 16.671 14.677 10.337 1.00 0.00 C ATOM 100 O GLU A 6 15.864 14.318 9.504 1.00 0.00 O ATOM 101 CB GLU A 6 18.173 12.895 9.433 1.00 0.00 C ATOM 102 CG GLU A 6 19.632 12.454 9.299 1.00 0.00 C ATOM 103 CD GLU A 6 20.399 13.477 8.460 1.00 0.00 C ATOM 104 OE1 GLU A 6 20.909 14.423 9.036 1.00 0.00 O ATOM 105 OE2 GLU A 6 20.465 13.296 7.255 1.00 0.00 O ATOM 0 H GLU A 6 19.336 14.046 12.095 1.00 0.00 H new ATOM 0 HA GLU A 6 18.793 14.874 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.570 12.079 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 6 17.765 13.145 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 6 20.087 12.362 10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 6 19.684 11.471 8.831 1.00 0.00 H new ATOM 112 N GLU A 7 16.361 15.563 11.243 1.00 0.00 N ATOM 113 CA GLU A 7 14.995 16.155 11.269 1.00 0.00 C ATOM 114 C GLU A 7 13.953 15.033 11.341 1.00 0.00 C ATOM 115 O GLU A 7 14.020 14.165 12.189 1.00 0.00 O ATOM 116 CB GLU A 7 14.780 16.988 9.999 1.00 0.00 C ATOM 117 CG GLU A 7 13.609 17.955 10.203 1.00 0.00 C ATOM 118 CD GLU A 7 14.049 19.107 11.107 1.00 0.00 C ATOM 119 OE1 GLU A 7 14.656 20.035 10.598 1.00 0.00 O ATOM 120 OE2 GLU A 7 13.771 19.043 12.293 1.00 0.00 O ATOM 0 H GLU A 7 16.995 15.902 11.966 1.00 0.00 H new ATOM 0 HA GLU A 7 14.888 16.797 12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.686 17.545 9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.578 16.332 9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.272 18.342 9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.764 17.431 10.650 1.00 0.00 H new ATOM 127 N LEU A 8 12.990 15.046 10.460 1.00 0.00 N ATOM 128 CA LEU A 8 11.945 13.983 10.478 1.00 0.00 C ATOM 129 C LEU A 8 11.254 13.935 9.111 1.00 0.00 C ATOM 130 O LEU A 8 10.724 14.921 8.638 1.00 0.00 O ATOM 131 CB LEU A 8 10.916 14.300 11.577 1.00 0.00 C ATOM 132 CG LEU A 8 10.151 13.014 11.981 1.00 0.00 C ATOM 133 CD1 LEU A 8 10.931 12.243 13.062 1.00 0.00 C ATOM 134 CD2 LEU A 8 8.766 13.381 12.544 1.00 0.00 C ATOM 0 H LEU A 8 12.882 15.748 9.728 1.00 0.00 H new ATOM 0 HA LEU A 8 12.402 13.015 10.685 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.420 14.720 12.447 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.213 15.053 11.221 1.00 0.00 H new ATOM 0 HG LEU A 8 10.041 12.390 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.381 11.343 13.335 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.912 11.966 12.675 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.053 12.874 13.942 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.235 12.472 12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.887 14.017 13.421 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.194 13.915 11.785 1.00 0.00 H new ATOM 146 N ASP A 9 11.270 12.801 8.466 1.00 0.00 N ATOM 147 CA ASP A 9 10.633 12.694 7.123 1.00 0.00 C ATOM 148 C ASP A 9 9.195 13.240 7.174 1.00 0.00 C ATOM 149 O ASP A 9 8.545 13.201 8.200 1.00 0.00 O ATOM 150 CB ASP A 9 10.603 11.226 6.694 1.00 0.00 C ATOM 151 CG ASP A 9 10.098 11.125 5.253 1.00 0.00 C ATOM 152 OD1 ASP A 9 8.959 11.489 5.019 1.00 0.00 O ATOM 153 OD2 ASP A 9 10.861 10.685 4.408 1.00 0.00 O ATOM 0 H ASP A 9 11.698 11.942 8.812 1.00 0.00 H new ATOM 0 HA ASP A 9 11.210 13.278 6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.600 10.793 6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.955 10.655 7.359 1.00 0.00 H new ATOM 158 N GLY A 10 8.694 13.746 6.072 1.00 0.00 N ATOM 159 CA GLY A 10 7.305 14.287 6.062 1.00 0.00 C ATOM 160 C GLY A 10 6.311 13.131 5.928 1.00 0.00 C ATOM 161 O GLY A 10 5.266 13.120 6.548 1.00 0.00 O ATOM 0 H GLY A 10 9.189 13.806 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.112 14.842 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.181 14.986 5.235 1.00 0.00 H new ATOM 165 N LEU A 11 6.630 12.155 5.120 1.00 0.00 N ATOM 166 CA LEU A 11 5.712 10.993 4.939 1.00 0.00 C ATOM 167 C LEU A 11 6.527 9.772 4.508 1.00 0.00 C ATOM 168 O LEU A 11 6.350 9.245 3.427 1.00 0.00 O ATOM 169 CB LEU A 11 4.676 11.327 3.858 1.00 0.00 C ATOM 170 CG LEU A 11 3.569 10.251 3.828 1.00 0.00 C ATOM 171 CD1 LEU A 11 2.498 10.556 4.888 1.00 0.00 C ATOM 172 CD2 LEU A 11 2.904 10.236 2.445 1.00 0.00 C ATOM 0 H LEU A 11 7.491 12.113 4.575 1.00 0.00 H new ATOM 0 HA LEU A 11 5.200 10.778 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.237 12.305 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.162 11.386 2.884 1.00 0.00 H new ATOM 0 HG LEU A 11 4.021 9.282 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.724 9.789 4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.957 10.566 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.052 11.530 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.123 9.476 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.465 11.213 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.651 10.008 1.685 1.00 0.00 H new ATOM 184 N ASP A 12 7.423 9.320 5.348 1.00 0.00 N ATOM 185 CA ASP A 12 8.265 8.126 4.983 1.00 0.00 C ATOM 186 C ASP A 12 9.025 8.443 3.677 1.00 0.00 C ATOM 187 O ASP A 12 8.657 9.361 2.970 1.00 0.00 O ATOM 188 CB ASP A 12 7.339 6.893 4.785 1.00 0.00 C ATOM 189 CG ASP A 12 7.573 5.857 5.895 1.00 0.00 C ATOM 190 OD1 ASP A 12 7.538 6.240 7.053 1.00 0.00 O ATOM 191 OD2 ASP A 12 7.784 4.702 5.564 1.00 0.00 O ATOM 0 H ASP A 12 7.612 9.719 6.267 1.00 0.00 H new ATOM 0 HA ASP A 12 8.982 7.904 5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.296 7.210 4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.530 6.441 3.812 1.00 0.00 H new ATOM 196 N PRO A 13 10.059 7.680 3.381 1.00 0.00 N ATOM 197 CA PRO A 13 10.842 7.897 2.149 1.00 0.00 C ATOM 198 C PRO A 13 9.914 7.813 0.929 1.00 0.00 C ATOM 199 O PRO A 13 10.269 8.211 -0.162 1.00 0.00 O ATOM 200 CB PRO A 13 11.897 6.763 2.142 1.00 0.00 C ATOM 201 CG PRO A 13 11.644 5.883 3.400 1.00 0.00 C ATOM 202 CD PRO A 13 10.528 6.560 4.225 1.00 0.00 C ATOM 0 HA PRO A 13 11.318 8.877 2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.813 6.167 1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.905 7.177 2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.348 4.875 3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.555 5.789 3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 13 9.719 5.863 4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 13 10.906 6.918 5.183 1.00 0.00 H new ATOM 210 N ASN A 14 8.729 7.296 1.110 1.00 0.00 N ATOM 211 CA ASN A 14 7.780 7.185 -0.035 1.00 0.00 C ATOM 212 C ASN A 14 7.708 8.523 -0.777 1.00 0.00 C ATOM 213 O ASN A 14 7.897 8.584 -1.974 1.00 0.00 O ATOM 214 CB ASN A 14 6.390 6.815 0.489 1.00 0.00 C ATOM 215 CG ASN A 14 6.460 5.469 1.213 1.00 0.00 C ATOM 216 OD1 ASN A 14 7.498 5.092 1.718 1.00 0.00 O ATOM 217 ND2 ASN A 14 5.391 4.725 1.284 1.00 0.00 N ATOM 0 H ASN A 14 8.377 6.946 2.001 1.00 0.00 H new ATOM 0 HA ASN A 14 8.129 6.412 -0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.028 7.587 1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.681 6.759 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.426 3.826 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.520 5.043 0.860 1.00 0.00 H new ATOM 224 N ARG A 15 7.438 9.592 -0.076 1.00 0.00 N ATOM 225 CA ARG A 15 7.354 10.924 -0.743 1.00 0.00 C ATOM 226 C ARG A 15 6.411 10.837 -1.945 1.00 0.00 C ATOM 227 O ARG A 15 5.226 11.087 -1.835 1.00 0.00 O ATOM 228 CB ARG A 15 8.747 11.348 -1.215 1.00 0.00 C ATOM 229 CG ARG A 15 9.616 11.700 0.000 1.00 0.00 C ATOM 230 CD ARG A 15 10.979 12.269 -0.457 1.00 0.00 C ATOM 231 NE ARG A 15 12.086 11.659 0.348 1.00 0.00 N ATOM 232 CZ ARG A 15 12.007 11.565 1.651 1.00 0.00 C ATOM 233 NH1 ARG A 15 11.009 12.105 2.294 1.00 0.00 N ATOM 234 NH2 ARG A 15 12.951 10.956 2.315 1.00 0.00 N ATOM 0 H ARG A 15 7.272 9.600 0.930 1.00 0.00 H new ATOM 0 HA ARG A 15 6.971 11.660 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.210 10.542 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.671 12.207 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.101 12.430 0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.773 10.812 0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.132 12.062 -1.516 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.988 13.353 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 15 12.917 11.310 -0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.283 12.605 1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.955 12.027 3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.747 10.555 1.818 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.893 10.881 3.331 1.00 0.00 H new ATOM 248 N PHE A 16 6.929 10.483 -3.094 1.00 0.00 N ATOM 249 CA PHE A 16 6.071 10.374 -4.314 1.00 0.00 C ATOM 250 C PHE A 16 6.495 9.143 -5.119 1.00 0.00 C ATOM 251 O PHE A 16 6.923 8.147 -4.570 1.00 0.00 O ATOM 252 CB PHE A 16 6.246 11.627 -5.174 1.00 0.00 C ATOM 253 CG PHE A 16 5.926 12.852 -4.348 1.00 0.00 C ATOM 254 CD1 PHE A 16 4.595 13.169 -4.056 1.00 0.00 C ATOM 255 CD2 PHE A 16 6.961 13.671 -3.877 1.00 0.00 C ATOM 256 CE1 PHE A 16 4.297 14.304 -3.291 1.00 0.00 C ATOM 257 CE2 PHE A 16 6.662 14.806 -3.113 1.00 0.00 C ATOM 258 CZ PHE A 16 5.330 15.123 -2.820 1.00 0.00 C ATOM 0 H PHE A 16 7.914 10.264 -3.240 1.00 0.00 H new ATOM 0 HA PHE A 16 5.026 10.279 -4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.268 11.684 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.590 11.579 -6.043 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.797 12.539 -4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.989 13.427 -4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.269 14.547 -3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.459 15.437 -2.750 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.100 15.999 -2.231 1.00 0.00 H new ATOM 268 N ASN A 17 6.378 9.203 -6.417 1.00 0.00 N ATOM 269 CA ASN A 17 6.773 8.037 -7.256 1.00 0.00 C ATOM 270 C ASN A 17 6.116 6.758 -6.709 1.00 0.00 C ATOM 271 O ASN A 17 6.805 5.889 -6.213 1.00 0.00 O ATOM 272 CB ASN A 17 8.294 7.877 -7.214 1.00 0.00 C ATOM 273 CG ASN A 17 8.731 6.864 -8.274 1.00 0.00 C ATOM 274 OD1 ASN A 17 8.143 5.700 -8.329 1.00 0.00 O flip ATOM 275 ND2 ASN A 17 9.618 7.133 -9.060 1.00 0.00 N flip ATOM 0 H ASN A 17 6.026 10.009 -6.933 1.00 0.00 H new ATOM 0 HA ASN A 17 6.446 8.203 -8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.776 8.838 -7.394 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.608 7.543 -6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.078 8.042 -9.018 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.902 6.449 -9.762 1.00 0.00 H new ATOM 282 N PRO A 18 4.805 6.672 -6.807 1.00 0.00 N ATOM 283 CA PRO A 18 4.069 5.491 -6.308 1.00 0.00 C ATOM 284 C PRO A 18 4.452 4.245 -7.126 1.00 0.00 C ATOM 285 O PRO A 18 4.223 3.125 -6.715 1.00 0.00 O ATOM 286 CB PRO A 18 2.574 5.849 -6.495 1.00 0.00 C ATOM 287 CG PRO A 18 2.508 7.228 -7.217 1.00 0.00 C ATOM 288 CD PRO A 18 3.959 7.726 -7.406 1.00 0.00 C ATOM 0 HA PRO A 18 4.299 5.259 -5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.067 5.084 -7.083 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.068 5.897 -5.531 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.007 7.132 -8.180 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.932 7.942 -6.628 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.193 7.868 -8.461 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.115 8.685 -6.913 1.00 0.00 H new ATOM 296 N LYS A 19 5.020 4.440 -8.282 1.00 0.00 N ATOM 297 CA LYS A 19 5.411 3.286 -9.139 1.00 0.00 C ATOM 298 C LYS A 19 6.366 2.347 -8.393 1.00 0.00 C ATOM 299 O LYS A 19 6.339 1.149 -8.588 1.00 0.00 O ATOM 300 CB LYS A 19 6.107 3.804 -10.403 1.00 0.00 C ATOM 301 CG LYS A 19 6.478 2.618 -11.315 1.00 0.00 C ATOM 302 CD LYS A 19 6.565 3.084 -12.772 1.00 0.00 C ATOM 303 CE LYS A 19 7.247 2.004 -13.612 1.00 0.00 C ATOM 304 NZ LYS A 19 6.563 0.698 -13.391 1.00 0.00 N ATOM 0 H LYS A 19 5.232 5.358 -8.674 1.00 0.00 H new ATOM 0 HA LYS A 19 4.510 2.733 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.451 4.493 -10.935 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.004 4.362 -10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.432 2.193 -11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.732 1.829 -11.221 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.567 3.286 -13.161 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.126 4.016 -12.834 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.210 2.272 -14.668 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.299 1.926 -13.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.794 0.049 -14.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.883 0.286 -12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.534 0.846 -13.357 1.00 0.00 H new ATOM 318 N THR A 20 7.226 2.868 -7.557 1.00 0.00 N ATOM 319 CA THR A 20 8.177 1.980 -6.842 1.00 0.00 C ATOM 320 C THR A 20 7.441 1.168 -5.772 1.00 0.00 C ATOM 321 O THR A 20 7.694 -0.007 -5.591 1.00 0.00 O ATOM 322 CB THR A 20 9.274 2.827 -6.196 1.00 0.00 C ATOM 323 OG1 THR A 20 10.059 3.440 -7.210 1.00 0.00 O ATOM 324 CG2 THR A 20 10.160 1.933 -5.335 1.00 0.00 C ATOM 0 H THR A 20 7.308 3.862 -7.343 1.00 0.00 H new ATOM 0 HA THR A 20 8.626 1.288 -7.554 1.00 0.00 H new ATOM 0 HB THR A 20 8.821 3.599 -5.574 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.547 4.164 -7.627 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.943 2.534 -4.873 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.557 1.463 -4.558 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.614 1.162 -5.958 1.00 0.00 H new ATOM 332 N PHE A 21 6.534 1.778 -5.060 1.00 0.00 N ATOM 333 CA PHE A 21 5.793 1.027 -4.007 1.00 0.00 C ATOM 334 C PHE A 21 5.132 -0.201 -4.658 1.00 0.00 C ATOM 335 O PHE A 21 5.159 -1.292 -4.124 1.00 0.00 O ATOM 336 CB PHE A 21 4.737 1.978 -3.364 1.00 0.00 C ATOM 337 CG PHE A 21 3.374 1.317 -3.278 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.562 1.247 -4.416 1.00 0.00 C ATOM 339 CD2 PHE A 21 2.934 0.766 -2.069 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.311 0.627 -4.347 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.680 0.147 -1.997 1.00 0.00 C ATOM 342 CZ PHE A 21 0.869 0.076 -3.137 1.00 0.00 C ATOM 0 H PHE A 21 6.275 2.759 -5.161 1.00 0.00 H new ATOM 0 HA PHE A 21 6.462 0.680 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.066 2.267 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.663 2.892 -3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.902 1.672 -5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.562 0.818 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.686 0.573 -5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.338 -0.275 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.097 -0.404 -3.083 1.00 0.00 H new ATOM 352 N PHE A 22 4.537 -0.019 -5.802 1.00 0.00 N ATOM 353 CA PHE A 22 3.869 -1.155 -6.495 1.00 0.00 C ATOM 354 C PHE A 22 4.891 -2.252 -6.830 1.00 0.00 C ATOM 355 O PHE A 22 4.588 -3.431 -6.780 1.00 0.00 O ATOM 356 CB PHE A 22 3.220 -0.638 -7.786 1.00 0.00 C ATOM 357 CG PHE A 22 2.326 -1.708 -8.363 1.00 0.00 C ATOM 358 CD1 PHE A 22 2.845 -2.639 -9.270 1.00 0.00 C ATOM 359 CD2 PHE A 22 0.978 -1.766 -7.992 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.015 -3.630 -9.805 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.148 -2.758 -8.527 1.00 0.00 C ATOM 362 CZ PHE A 22 0.667 -3.688 -9.434 1.00 0.00 C ATOM 0 H PHE A 22 4.484 0.875 -6.291 1.00 0.00 H new ATOM 0 HA PHE A 22 3.108 -1.580 -5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.641 0.262 -7.579 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.989 -0.364 -8.508 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.885 -2.592 -9.557 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.578 -1.046 -7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.414 -4.350 -10.504 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.892 -2.805 -8.240 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.026 -4.452 -9.849 1.00 0.00 H new ATOM 372 N ILE A 23 6.101 -1.886 -7.168 1.00 0.00 N ATOM 373 CA ILE A 23 7.114 -2.915 -7.503 1.00 0.00 C ATOM 374 C ILE A 23 7.565 -3.612 -6.219 1.00 0.00 C ATOM 375 O ILE A 23 7.397 -4.805 -6.058 1.00 0.00 O ATOM 376 CB ILE A 23 8.296 -2.229 -8.186 1.00 0.00 C ATOM 377 CG1 ILE A 23 7.827 -1.660 -9.529 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.409 -3.245 -8.416 1.00 0.00 C ATOM 379 CD1 ILE A 23 8.894 -0.730 -10.111 1.00 0.00 C ATOM 0 H ILE A 23 6.425 -0.920 -7.225 1.00 0.00 H new ATOM 0 HA ILE A 23 6.695 -3.663 -8.176 1.00 0.00 H new ATOM 0 HB ILE A 23 8.675 -1.423 -7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.624 -2.473 -10.226 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.893 -1.115 -9.395 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.253 -2.756 -8.903 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.731 -3.655 -7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.041 -4.051 -9.051 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.549 -0.332 -11.065 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.076 0.093 -9.419 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.818 -1.287 -10.263 1.00 0.00 H new ATOM 391 N LEU A 24 8.129 -2.880 -5.300 1.00 0.00 N ATOM 392 CA LEU A 24 8.585 -3.506 -4.026 1.00 0.00 C ATOM 393 C LEU A 24 7.494 -4.437 -3.454 1.00 0.00 C ATOM 394 O LEU A 24 7.800 -5.457 -2.869 1.00 0.00 O ATOM 395 CB LEU A 24 8.899 -2.400 -3.014 1.00 0.00 C ATOM 396 CG LEU A 24 9.640 -2.984 -1.798 1.00 0.00 C ATOM 397 CD1 LEU A 24 11.063 -3.439 -2.189 1.00 0.00 C ATOM 398 CD2 LEU A 24 9.723 -1.914 -0.700 1.00 0.00 C ATOM 0 H LEU A 24 8.294 -1.876 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 24 9.477 -4.101 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.509 -1.629 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.975 -1.921 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 24 9.091 -3.852 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.568 -3.848 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.001 -4.204 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.627 -2.586 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.247 -2.320 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.264 -1.047 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.717 -1.614 -0.407 1.00 0.00 H new ATOM 410 N HIS A 25 6.227 -4.115 -3.610 1.00 0.00 N ATOM 411 CA HIS A 25 5.163 -5.009 -3.064 1.00 0.00 C ATOM 412 C HIS A 25 4.945 -6.192 -4.013 1.00 0.00 C ATOM 413 O HIS A 25 4.358 -7.189 -3.645 1.00 0.00 O ATOM 414 CB HIS A 25 3.853 -4.231 -2.915 1.00 0.00 C ATOM 415 CG HIS A 25 4.054 -3.082 -1.966 1.00 0.00 C ATOM 416 ND1 HIS A 25 5.274 -2.439 -1.830 1.00 0.00 N ATOM 417 CD2 HIS A 25 3.198 -2.451 -1.098 1.00 0.00 C ATOM 418 CE1 HIS A 25 5.120 -1.470 -0.910 1.00 0.00 C ATOM 419 NE2 HIS A 25 3.873 -1.434 -0.432 1.00 0.00 N ATOM 0 H HIS A 25 5.891 -3.279 -4.088 1.00 0.00 H new ATOM 0 HA HIS A 25 5.477 -5.377 -2.087 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.526 -3.860 -3.886 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.067 -4.889 -2.544 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.158 -2.706 -0.954 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.909 -0.802 -0.596 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.497 -0.797 0.271 1.00 0.00 H new ATOM 427 N ASP A 26 5.420 -6.099 -5.228 1.00 0.00 N ATOM 428 CA ASP A 26 5.241 -7.238 -6.178 1.00 0.00 C ATOM 429 C ASP A 26 6.273 -8.325 -5.847 1.00 0.00 C ATOM 430 O ASP A 26 7.396 -8.296 -6.312 1.00 0.00 O ATOM 431 CB ASP A 26 5.434 -6.741 -7.619 1.00 0.00 C ATOM 432 CG ASP A 26 4.698 -7.672 -8.588 1.00 0.00 C ATOM 433 OD1 ASP A 26 4.702 -8.868 -8.347 1.00 0.00 O ATOM 434 OD2 ASP A 26 4.145 -7.173 -9.554 1.00 0.00 O ATOM 0 H ASP A 26 5.920 -5.292 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 26 4.237 -7.651 -6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.054 -5.724 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.496 -6.710 -7.864 1.00 0.00 H new ATOM 439 N ILE A 27 5.901 -9.263 -5.021 1.00 0.00 N ATOM 440 CA ILE A 27 6.837 -10.342 -4.611 1.00 0.00 C ATOM 441 C ILE A 27 7.059 -11.345 -5.752 1.00 0.00 C ATOM 442 O ILE A 27 8.180 -11.682 -6.075 1.00 0.00 O ATOM 443 CB ILE A 27 6.215 -11.037 -3.402 1.00 0.00 C ATOM 444 CG1 ILE A 27 5.798 -9.962 -2.380 1.00 0.00 C ATOM 445 CG2 ILE A 27 7.206 -12.000 -2.753 1.00 0.00 C ATOM 446 CD1 ILE A 27 5.483 -10.603 -1.019 1.00 0.00 C ATOM 0 H ILE A 27 4.971 -9.327 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 27 7.813 -9.924 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 27 5.349 -11.612 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.598 -9.230 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.923 -9.424 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.737 -12.481 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.503 -12.759 -3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.087 -11.449 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.191 -9.828 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.667 -11.317 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.368 -11.120 -0.647 1.00 0.00 H new ATOM 458 N ASN A 28 6.011 -11.837 -6.360 1.00 0.00 N ATOM 459 CA ASN A 28 6.187 -12.828 -7.470 1.00 0.00 C ATOM 460 C ASN A 28 6.344 -12.103 -8.812 1.00 0.00 C ATOM 461 O ASN A 28 6.367 -12.722 -9.857 1.00 0.00 O ATOM 462 CB ASN A 28 4.973 -13.756 -7.527 1.00 0.00 C ATOM 463 CG ASN A 28 4.731 -14.365 -6.144 1.00 0.00 C ATOM 464 OD1 ASN A 28 5.542 -14.076 -5.160 1.00 0.00 O flip ATOM 465 ND2 ASN A 28 3.792 -15.112 -5.954 1.00 0.00 N flip ATOM 0 H ASN A 28 5.044 -11.599 -6.139 1.00 0.00 H new ATOM 0 HA ASN A 28 7.086 -13.414 -7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.093 -13.201 -7.851 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.139 -14.546 -8.260 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.158 -15.339 -6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.638 -15.512 -5.029 1.00 0.00 H new ATOM 472 N SER A 29 6.468 -10.804 -8.796 1.00 0.00 N ATOM 473 CA SER A 29 6.643 -10.053 -10.077 1.00 0.00 C ATOM 474 C SER A 29 5.648 -10.550 -11.132 1.00 0.00 C ATOM 475 O SER A 29 6.033 -11.017 -12.185 1.00 0.00 O ATOM 476 CB SER A 29 8.067 -10.258 -10.589 1.00 0.00 C ATOM 477 OG SER A 29 8.159 -11.522 -11.233 1.00 0.00 O ATOM 0 H SER A 29 6.456 -10.229 -7.954 1.00 0.00 H new ATOM 0 HA SER A 29 6.460 -8.994 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.333 -9.463 -11.285 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.774 -10.207 -9.761 1.00 0.00 H new ATOM 0 HG SER A 29 7.663 -11.496 -12.078 1.00 0.00 H new ATOM 483 N ASP A 30 4.370 -10.440 -10.863 1.00 0.00 N ATOM 484 CA ASP A 30 3.341 -10.893 -11.854 1.00 0.00 C ATOM 485 C ASP A 30 2.779 -9.668 -12.580 1.00 0.00 C ATOM 486 O ASP A 30 1.944 -9.777 -13.456 1.00 0.00 O ATOM 487 CB ASP A 30 2.207 -11.609 -11.117 1.00 0.00 C ATOM 488 CG ASP A 30 1.223 -12.190 -12.136 1.00 0.00 C ATOM 489 OD1 ASP A 30 1.434 -13.314 -12.559 1.00 0.00 O ATOM 490 OD2 ASP A 30 0.277 -11.499 -12.476 1.00 0.00 O ATOM 0 H ASP A 30 3.993 -10.055 -9.997 1.00 0.00 H new ATOM 0 HA ASP A 30 3.794 -11.575 -12.573 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.611 -12.405 -10.491 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.693 -10.913 -10.455 1.00 0.00 H new ATOM 495 N GLY A 31 3.234 -8.503 -12.211 1.00 0.00 N ATOM 496 CA GLY A 31 2.743 -7.254 -12.859 1.00 0.00 C ATOM 497 C GLY A 31 1.363 -6.888 -12.309 1.00 0.00 C ATOM 498 O GLY A 31 0.808 -5.864 -12.659 1.00 0.00 O ATOM 0 H GLY A 31 3.932 -8.361 -11.481 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.444 -6.440 -12.676 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.689 -7.392 -13.939 1.00 0.00 H new ATOM 502 N VAL A 32 0.818 -7.695 -11.429 1.00 0.00 N ATOM 503 CA VAL A 32 -0.519 -7.371 -10.823 1.00 0.00 C ATOM 504 C VAL A 32 -0.445 -7.649 -9.316 1.00 0.00 C ATOM 505 O VAL A 32 0.460 -8.316 -8.855 1.00 0.00 O ATOM 506 CB VAL A 32 -1.636 -8.214 -11.495 1.00 0.00 C ATOM 507 CG1 VAL A 32 -1.282 -8.458 -12.964 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.827 -9.562 -10.781 1.00 0.00 C ATOM 0 H VAL A 32 1.239 -8.565 -11.103 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.763 -6.321 -10.986 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.570 -7.657 -11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.067 -9.050 -13.434 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.190 -7.502 -13.480 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.336 -8.996 -13.026 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.616 -10.128 -11.276 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.897 -10.128 -10.818 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.104 -9.387 -9.741 1.00 0.00 H new ATOM 518 N LEU A 33 -1.393 -7.166 -8.555 1.00 0.00 N ATOM 519 CA LEU A 33 -1.390 -7.424 -7.064 1.00 0.00 C ATOM 520 C LEU A 33 -2.649 -8.237 -6.724 1.00 0.00 C ATOM 521 O LEU A 33 -3.753 -7.833 -7.033 1.00 0.00 O ATOM 522 CB LEU A 33 -1.364 -6.081 -6.280 1.00 0.00 C ATOM 523 CG LEU A 33 -0.561 -6.232 -4.974 1.00 0.00 C ATOM 524 CD1 LEU A 33 0.952 -6.181 -5.256 1.00 0.00 C ATOM 525 CD2 LEU A 33 -0.923 -5.091 -4.018 1.00 0.00 C ATOM 0 H LEU A 33 -2.174 -6.603 -8.892 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.500 -7.983 -6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.920 -5.301 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.383 -5.766 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.808 -7.195 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.500 -6.289 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.224 -6.992 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.204 -5.225 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.355 -5.197 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.682 -4.136 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.989 -5.128 -3.795 1.00 0.00 H new ATOM 537 N ASP A 34 -2.489 -9.397 -6.117 1.00 0.00 N ATOM 538 CA ASP A 34 -3.683 -10.260 -5.791 1.00 0.00 C ATOM 539 C ASP A 34 -3.978 -10.264 -4.293 1.00 0.00 C ATOM 540 O ASP A 34 -3.237 -9.738 -3.486 1.00 0.00 O ATOM 541 CB ASP A 34 -3.434 -11.707 -6.255 1.00 0.00 C ATOM 542 CG ASP A 34 -2.355 -12.353 -5.384 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.691 -11.627 -4.662 1.00 0.00 O ATOM 544 OD2 ASP A 34 -2.212 -13.562 -5.454 1.00 0.00 O ATOM 0 H ASP A 34 -1.588 -9.783 -5.834 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.542 -9.841 -6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.358 -12.283 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.124 -11.715 -7.300 1.00 0.00 H new ATOM 549 N GLU A 35 -5.080 -10.867 -3.935 1.00 0.00 N ATOM 550 CA GLU A 35 -5.492 -10.942 -2.506 1.00 0.00 C ATOM 551 C GLU A 35 -4.414 -11.644 -1.677 1.00 0.00 C ATOM 552 O GLU A 35 -4.457 -11.632 -0.467 1.00 0.00 O ATOM 553 CB GLU A 35 -6.800 -11.727 -2.404 1.00 0.00 C ATOM 554 CG GLU A 35 -7.427 -11.512 -1.026 1.00 0.00 C ATOM 555 CD GLU A 35 -8.791 -12.203 -0.970 1.00 0.00 C ATOM 556 OE1 GLU A 35 -8.914 -13.271 -1.546 1.00 0.00 O ATOM 557 OE2 GLU A 35 -9.688 -11.653 -0.353 1.00 0.00 O ATOM 0 H GLU A 35 -5.723 -11.318 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.630 -9.932 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.491 -11.403 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.612 -12.788 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.773 -11.912 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.540 -10.446 -0.829 1.00 0.00 H new ATOM 564 N GLN A 36 -3.445 -12.244 -2.301 1.00 0.00 N ATOM 565 CA GLN A 36 -2.374 -12.929 -1.521 1.00 0.00 C ATOM 566 C GLN A 36 -1.338 -11.896 -1.097 1.00 0.00 C ATOM 567 O GLN A 36 -0.960 -11.815 0.055 1.00 0.00 O ATOM 568 CB GLN A 36 -1.708 -13.997 -2.390 1.00 0.00 C ATOM 569 CG GLN A 36 -2.770 -14.959 -2.925 1.00 0.00 C ATOM 570 CD GLN A 36 -3.273 -15.855 -1.786 1.00 0.00 C ATOM 571 OE1 GLN A 36 -2.743 -15.747 -0.594 1.00 0.00 O flip ATOM 572 NE2 GLN A 36 -4.159 -16.664 -1.982 1.00 0.00 N flip ATOM 0 H GLN A 36 -3.345 -12.292 -3.315 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.805 -13.405 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.178 -13.527 -3.219 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.967 -14.545 -1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.600 -14.398 -3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.352 -15.570 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.574 -16.751 -2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.487 -17.256 -1.219 1.00 0.00 H new ATOM 581 N GLU A 37 -0.890 -11.093 -2.016 1.00 0.00 N ATOM 582 CA GLU A 37 0.107 -10.049 -1.659 1.00 0.00 C ATOM 583 C GLU A 37 -0.579 -9.024 -0.749 1.00 0.00 C ATOM 584 O GLU A 37 0.038 -8.417 0.103 1.00 0.00 O ATOM 585 CB GLU A 37 0.613 -9.369 -2.937 1.00 0.00 C ATOM 586 CG GLU A 37 1.631 -10.271 -3.639 1.00 0.00 C ATOM 587 CD GLU A 37 1.020 -11.656 -3.866 1.00 0.00 C ATOM 588 OE1 GLU A 37 0.942 -12.411 -2.910 1.00 0.00 O ATOM 589 OE2 GLU A 37 0.642 -11.939 -4.991 1.00 0.00 O ATOM 0 H GLU A 37 -1.169 -11.113 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 37 0.958 -10.492 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.223 -9.162 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.071 -8.411 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.925 -9.831 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.534 -10.356 -3.035 1.00 0.00 H new ATOM 596 N LEU A 38 -1.862 -8.839 -0.928 1.00 0.00 N ATOM 597 CA LEU A 38 -2.618 -7.868 -0.088 1.00 0.00 C ATOM 598 C LEU A 38 -2.992 -8.532 1.248 1.00 0.00 C ATOM 599 O LEU A 38 -3.040 -7.887 2.277 1.00 0.00 O ATOM 600 CB LEU A 38 -3.898 -7.462 -0.847 1.00 0.00 C ATOM 601 CG LEU A 38 -4.574 -6.202 -0.228 1.00 0.00 C ATOM 602 CD1 LEU A 38 -4.046 -4.914 -0.886 1.00 0.00 C ATOM 603 CD2 LEU A 38 -6.095 -6.257 -0.457 1.00 0.00 C ATOM 0 H LEU A 38 -2.422 -9.326 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.010 -6.986 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.653 -7.265 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.603 -8.293 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.343 -6.193 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.534 -4.049 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.969 -4.843 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.261 -4.937 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.561 -5.373 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.301 -6.286 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.502 -7.151 0.015 1.00 0.00 H new ATOM 615 N GLU A 39 -3.247 -9.819 1.248 1.00 0.00 N ATOM 616 CA GLU A 39 -3.602 -10.509 2.516 1.00 0.00 C ATOM 617 C GLU A 39 -2.346 -10.637 3.390 1.00 0.00 C ATOM 618 O GLU A 39 -2.383 -10.415 4.585 1.00 0.00 O ATOM 619 CB GLU A 39 -4.157 -11.904 2.197 1.00 0.00 C ATOM 620 CG GLU A 39 -4.285 -12.720 3.485 1.00 0.00 C ATOM 621 CD GLU A 39 -5.159 -13.951 3.230 1.00 0.00 C ATOM 622 OE1 GLU A 39 -4.619 -14.960 2.810 1.00 0.00 O ATOM 623 OE2 GLU A 39 -6.354 -13.861 3.458 1.00 0.00 O ATOM 0 H GLU A 39 -3.223 -10.416 0.422 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.358 -9.934 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.130 -11.816 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.498 -12.416 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.299 -13.028 3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.723 -12.108 4.273 1.00 0.00 H new ATOM 630 N ALA A 40 -1.240 -11.017 2.804 1.00 0.00 N ATOM 631 CA ALA A 40 0.013 -11.186 3.598 1.00 0.00 C ATOM 632 C ALA A 40 0.612 -9.826 3.976 1.00 0.00 C ATOM 633 O ALA A 40 1.256 -9.691 4.997 1.00 0.00 O ATOM 634 CB ALA A 40 1.027 -11.976 2.785 1.00 0.00 C ATOM 0 H ALA A 40 -1.151 -11.218 1.808 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.231 -11.723 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.942 -12.099 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.616 -12.956 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.251 -11.440 1.863 1.00 0.00 H new ATOM 640 N LEU A 41 0.420 -8.818 3.167 1.00 0.00 N ATOM 641 CA LEU A 41 0.996 -7.481 3.510 1.00 0.00 C ATOM 642 C LEU A 41 0.157 -6.832 4.620 1.00 0.00 C ATOM 643 O LEU A 41 0.622 -5.963 5.330 1.00 0.00 O ATOM 644 CB LEU A 41 1.022 -6.570 2.268 1.00 0.00 C ATOM 645 CG LEU A 41 2.197 -6.949 1.347 1.00 0.00 C ATOM 646 CD1 LEU A 41 2.088 -6.148 0.043 1.00 0.00 C ATOM 647 CD2 LEU A 41 3.551 -6.639 2.032 1.00 0.00 C ATOM 0 H LEU A 41 -0.104 -8.859 2.293 1.00 0.00 H new ATOM 0 HA LEU A 41 2.020 -7.615 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.082 -6.660 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.114 -5.528 2.575 1.00 0.00 H new ATOM 0 HG LEU A 41 2.152 -8.018 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.916 -6.410 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.144 -6.382 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.126 -5.082 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.368 -6.914 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.609 -5.574 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.630 -7.210 2.957 1.00 0.00 H new ATOM 659 N PHE A 42 -1.074 -7.245 4.777 1.00 0.00 N ATOM 660 CA PHE A 42 -1.933 -6.638 5.846 1.00 0.00 C ATOM 661 C PHE A 42 -1.529 -7.236 7.203 1.00 0.00 C ATOM 662 O PHE A 42 -1.301 -6.528 8.166 1.00 0.00 O ATOM 663 CB PHE A 42 -3.438 -6.928 5.563 1.00 0.00 C ATOM 664 CG PHE A 42 -4.193 -5.647 5.228 1.00 0.00 C ATOM 665 CD1 PHE A 42 -3.662 -4.734 4.300 1.00 0.00 C ATOM 666 CD2 PHE A 42 -5.432 -5.379 5.836 1.00 0.00 C ATOM 667 CE1 PHE A 42 -4.363 -3.568 3.987 1.00 0.00 C ATOM 668 CE2 PHE A 42 -6.127 -4.211 5.517 1.00 0.00 C ATOM 669 CZ PHE A 42 -5.593 -3.306 4.593 1.00 0.00 C ATOM 0 H PHE A 42 -1.522 -7.971 4.218 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.790 -5.558 5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.526 -7.632 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.890 -7.402 6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.711 -4.935 3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.846 -6.076 6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.953 -2.867 3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.079 -4.006 5.984 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.133 -2.403 4.348 1.00 0.00 H new ATOM 679 N THR A 43 -1.456 -8.535 7.282 1.00 0.00 N ATOM 680 CA THR A 43 -1.087 -9.192 8.567 1.00 0.00 C ATOM 681 C THR A 43 0.319 -8.767 9.005 1.00 0.00 C ATOM 682 O THR A 43 0.584 -8.588 10.177 1.00 0.00 O ATOM 683 CB THR A 43 -1.126 -10.715 8.379 1.00 0.00 C ATOM 684 OG1 THR A 43 -2.470 -11.125 8.169 1.00 0.00 O ATOM 685 CG2 THR A 43 -0.571 -11.409 9.626 1.00 0.00 C ATOM 0 H THR A 43 -1.637 -9.174 6.507 1.00 0.00 H new ATOM 0 HA THR A 43 -1.797 -8.890 9.337 1.00 0.00 H new ATOM 0 HB THR A 43 -0.517 -10.988 7.518 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.500 -12.097 8.047 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.602 -12.489 9.485 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.459 -11.094 9.790 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.175 -11.139 10.492 1.00 0.00 H new ATOM 693 N LYS A 44 1.230 -8.642 8.081 1.00 0.00 N ATOM 694 CA LYS A 44 2.625 -8.272 8.460 1.00 0.00 C ATOM 695 C LYS A 44 2.738 -6.787 8.827 1.00 0.00 C ATOM 696 O LYS A 44 3.489 -6.423 9.706 1.00 0.00 O ATOM 697 CB LYS A 44 3.571 -8.578 7.296 1.00 0.00 C ATOM 698 CG LYS A 44 3.745 -10.096 7.148 1.00 0.00 C ATOM 699 CD LYS A 44 4.529 -10.401 5.867 1.00 0.00 C ATOM 700 CE LYS A 44 5.866 -9.650 5.884 1.00 0.00 C ATOM 701 NZ LYS A 44 6.833 -10.336 4.982 1.00 0.00 N ATOM 0 H LYS A 44 1.071 -8.779 7.083 1.00 0.00 H new ATOM 0 HA LYS A 44 2.900 -8.860 9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.173 -8.157 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.539 -8.108 7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.272 -10.498 8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.770 -10.582 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.705 -11.474 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.947 -10.105 4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.720 -8.619 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.262 -9.614 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.740 -9.827 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.980 -11.312 5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.455 -10.348 4.013 1.00 0.00 H new ATOM 715 N GLU A 45 2.029 -5.916 8.169 1.00 0.00 N ATOM 716 CA GLU A 45 2.164 -4.472 8.526 1.00 0.00 C ATOM 717 C GLU A 45 1.703 -4.262 9.973 1.00 0.00 C ATOM 718 O GLU A 45 2.191 -3.391 10.665 1.00 0.00 O ATOM 719 CB GLU A 45 1.330 -3.604 7.573 1.00 0.00 C ATOM 720 CG GLU A 45 2.104 -3.368 6.268 1.00 0.00 C ATOM 721 CD GLU A 45 1.165 -2.776 5.216 1.00 0.00 C ATOM 722 OE1 GLU A 45 0.011 -3.170 5.190 1.00 0.00 O ATOM 723 OE2 GLU A 45 1.616 -1.938 4.453 1.00 0.00 O ATOM 0 H GLU A 45 1.375 -6.130 7.416 1.00 0.00 H new ATOM 0 HA GLU A 45 3.209 -4.176 8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.380 -4.093 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.098 -2.650 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.940 -2.692 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.525 -4.307 5.908 1.00 0.00 H new ATOM 730 N LEU A 46 0.775 -5.055 10.442 1.00 0.00 N ATOM 731 CA LEU A 46 0.308 -4.890 11.850 1.00 0.00 C ATOM 732 C LEU A 46 1.394 -5.386 12.803 1.00 0.00 C ATOM 733 O LEU A 46 1.550 -4.883 13.899 1.00 0.00 O ATOM 734 CB LEU A 46 -0.957 -5.726 12.080 1.00 0.00 C ATOM 735 CG LEU A 46 -2.157 -5.124 11.311 1.00 0.00 C ATOM 736 CD1 LEU A 46 -3.202 -6.218 11.070 1.00 0.00 C ATOM 737 CD2 LEU A 46 -2.817 -3.990 12.119 1.00 0.00 C ATOM 0 H LEU A 46 0.324 -5.803 9.916 1.00 0.00 H new ATOM 0 HA LEU A 46 0.094 -3.837 12.032 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.786 -6.751 11.752 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.184 -5.766 13.145 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.791 -4.722 10.366 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.050 -5.798 10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.758 -7.022 10.483 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.543 -6.613 12.027 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.658 -3.584 11.556 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.173 -4.382 13.072 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.087 -3.201 12.301 1.00 0.00 H new ATOM 749 N GLU A 47 2.139 -6.373 12.398 1.00 0.00 N ATOM 750 CA GLU A 47 3.209 -6.912 13.281 1.00 0.00 C ATOM 751 C GLU A 47 4.138 -5.774 13.716 1.00 0.00 C ATOM 752 O GLU A 47 4.945 -5.931 14.611 1.00 0.00 O ATOM 753 CB GLU A 47 4.020 -7.959 12.515 1.00 0.00 C ATOM 754 CG GLU A 47 3.195 -9.237 12.333 1.00 0.00 C ATOM 755 CD GLU A 47 3.076 -9.965 13.672 1.00 0.00 C ATOM 756 OE1 GLU A 47 4.053 -9.989 14.401 1.00 0.00 O ATOM 757 OE2 GLU A 47 2.007 -10.487 13.948 1.00 0.00 O ATOM 0 H GLU A 47 2.054 -6.832 11.491 1.00 0.00 H new ATOM 0 HA GLU A 47 2.756 -7.369 14.161 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.311 -7.564 11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.939 -8.185 13.056 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.204 -8.991 11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.668 -9.886 11.596 1.00 0.00 H new ATOM 764 N LYS A 48 4.033 -4.631 13.080 1.00 0.00 N ATOM 765 CA LYS A 48 4.910 -3.467 13.438 1.00 0.00 C ATOM 766 C LYS A 48 4.052 -2.306 13.945 1.00 0.00 C ATOM 767 O LYS A 48 4.300 -1.159 13.631 1.00 0.00 O ATOM 768 CB LYS A 48 5.674 -3.010 12.192 1.00 0.00 C ATOM 769 CG LYS A 48 6.339 -4.217 11.519 1.00 0.00 C ATOM 770 CD LYS A 48 7.051 -3.753 10.242 1.00 0.00 C ATOM 771 CE LYS A 48 7.474 -4.965 9.402 1.00 0.00 C ATOM 772 NZ LYS A 48 8.313 -4.502 8.261 1.00 0.00 N ATOM 0 H LYS A 48 3.373 -4.452 12.323 1.00 0.00 H new ATOM 0 HA LYS A 48 5.609 -3.771 14.217 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.993 -2.523 11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.429 -2.273 12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.053 -4.681 12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.591 -4.972 11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.389 -3.111 9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.926 -3.157 10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.032 -5.671 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.594 -5.491 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.602 -5.320 7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.765 -3.844 7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.158 -4.018 8.626 1.00 0.00 H new ATOM 786 N VAL A 49 3.045 -2.587 14.730 1.00 0.00 N ATOM 787 CA VAL A 49 2.175 -1.489 15.255 1.00 0.00 C ATOM 788 C VAL A 49 1.626 -1.883 16.629 1.00 0.00 C ATOM 789 O VAL A 49 1.853 -1.209 17.614 1.00 0.00 O ATOM 790 CB VAL A 49 1.007 -1.250 14.291 1.00 0.00 C ATOM 791 CG1 VAL A 49 0.138 -0.107 14.816 1.00 0.00 C ATOM 792 CG2 VAL A 49 1.547 -0.879 12.908 1.00 0.00 C ATOM 0 H VAL A 49 2.786 -3.527 15.031 1.00 0.00 H new ATOM 0 HA VAL A 49 2.764 -0.576 15.345 1.00 0.00 H new ATOM 0 HB VAL A 49 0.411 -2.160 14.216 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.692 0.063 14.131 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.251 -0.368 15.800 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.737 0.800 14.892 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.714 -0.710 12.226 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.145 0.029 12.983 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.167 -1.692 12.529 1.00 0.00 H new ATOM 802 N TYR A 50 0.907 -2.971 16.705 1.00 0.00 N ATOM 803 CA TYR A 50 0.342 -3.409 18.017 1.00 0.00 C ATOM 804 C TYR A 50 1.337 -4.325 18.733 1.00 0.00 C ATOM 805 O TYR A 50 1.336 -4.411 19.943 1.00 0.00 O ATOM 806 CB TYR A 50 -0.971 -4.161 17.786 1.00 0.00 C ATOM 807 CG TYR A 50 -2.037 -3.188 17.331 1.00 0.00 C ATOM 808 CD1 TYR A 50 -2.684 -2.369 18.267 1.00 0.00 C ATOM 809 CD2 TYR A 50 -2.377 -3.100 15.974 1.00 0.00 C ATOM 810 CE1 TYR A 50 -3.670 -1.469 17.846 1.00 0.00 C ATOM 811 CE2 TYR A 50 -3.363 -2.199 15.556 1.00 0.00 C ATOM 812 CZ TYR A 50 -4.009 -1.384 16.491 1.00 0.00 C ATOM 813 OH TYR A 50 -4.981 -0.495 16.077 1.00 0.00 O ATOM 0 H TYR A 50 0.686 -3.577 15.915 1.00 0.00 H new ATOM 0 HA TYR A 50 0.154 -2.531 18.635 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.830 -4.939 17.036 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.285 -4.657 18.704 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.422 -2.432 19.313 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.878 -3.728 15.251 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.170 -0.840 18.568 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.625 -2.133 14.510 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.093 -0.562 15.106 1.00 0.00 H new ATOM 823 N ASP A 51 2.177 -5.014 18.007 1.00 0.00 N ATOM 824 CA ASP A 51 3.163 -5.925 18.680 1.00 0.00 C ATOM 825 C ASP A 51 2.396 -7.010 19.448 1.00 0.00 C ATOM 826 O ASP A 51 2.349 -6.977 20.662 1.00 0.00 O ATOM 827 CB ASP A 51 4.045 -5.136 19.680 1.00 0.00 C ATOM 828 CG ASP A 51 5.280 -5.970 20.032 1.00 0.00 C ATOM 829 OD1 ASP A 51 5.123 -7.157 20.262 1.00 0.00 O ATOM 830 OD2 ASP A 51 6.362 -5.405 20.066 1.00 0.00 O ATOM 0 H ASP A 51 2.227 -4.990 16.989 1.00 0.00 H new ATOM 0 HA ASP A 51 3.803 -6.371 17.919 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.347 -4.184 19.244 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.477 -4.907 20.582 1.00 0.00 H new ATOM 835 N PRO A 52 1.799 -7.940 18.733 1.00 0.00 N ATOM 836 CA PRO A 52 1.025 -9.017 19.373 1.00 0.00 C ATOM 837 C PRO A 52 1.942 -9.852 20.274 1.00 0.00 C ATOM 838 O PRO A 52 3.137 -9.643 20.327 1.00 0.00 O ATOM 839 CB PRO A 52 0.456 -9.852 18.201 1.00 0.00 C ATOM 840 CG PRO A 52 0.944 -9.196 16.882 1.00 0.00 C ATOM 841 CD PRO A 52 1.846 -7.998 17.257 1.00 0.00 C ATOM 0 HA PRO A 52 0.225 -8.644 20.012 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.798 -10.885 18.265 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.633 -9.873 18.239 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.496 -9.916 16.279 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.096 -8.863 16.284 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.865 -8.142 16.899 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.480 -7.072 16.813 1.00 0.00 H new ATOM 849 N LYS A 53 1.383 -10.789 20.983 1.00 0.00 N ATOM 850 CA LYS A 53 2.211 -11.635 21.888 1.00 0.00 C ATOM 851 C LYS A 53 1.355 -12.779 22.434 1.00 0.00 C ATOM 852 O LYS A 53 1.820 -13.888 22.611 1.00 0.00 O ATOM 853 CB LYS A 53 2.721 -10.778 23.054 1.00 0.00 C ATOM 854 CG LYS A 53 1.530 -10.295 23.919 1.00 0.00 C ATOM 855 CD LYS A 53 1.824 -8.901 24.517 1.00 0.00 C ATOM 856 CE LYS A 53 1.333 -7.797 23.565 1.00 0.00 C ATOM 857 NZ LYS A 53 -0.120 -7.557 23.795 1.00 0.00 N ATOM 0 H LYS A 53 0.387 -11.007 20.976 1.00 0.00 H new ATOM 0 HA LYS A 53 3.058 -12.044 21.337 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.414 -11.357 23.665 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.274 -9.920 22.671 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.626 -10.253 23.312 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.343 -11.009 24.721 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.332 -8.802 25.484 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.894 -8.791 24.691 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.896 -6.879 23.734 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.505 -8.091 22.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.455 -6.811 23.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.650 -8.433 23.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.271 -7.259 24.780 1.00 0.00 H new ATOM 871 N ASN A 54 0.105 -12.514 22.703 1.00 0.00 N ATOM 872 CA ASN A 54 -0.794 -13.577 23.240 1.00 0.00 C ATOM 873 C ASN A 54 -1.437 -14.332 22.083 1.00 0.00 C ATOM 874 O ASN A 54 -1.932 -15.428 22.244 1.00 0.00 O ATOM 875 CB ASN A 54 -1.886 -12.935 24.099 1.00 0.00 C ATOM 876 CG ASN A 54 -1.260 -12.349 25.365 1.00 0.00 C ATOM 877 OD1 ASN A 54 -0.277 -12.982 25.946 1.00 0.00 O flip ATOM 878 ND2 ASN A 54 -1.670 -11.306 25.832 1.00 0.00 N flip ATOM 0 H ASN A 54 -0.335 -11.603 22.573 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.213 -14.271 23.848 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.394 -12.152 23.536 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.639 -13.677 24.363 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.438 -10.811 25.378 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.246 -10.925 26.678 1.00 0.00 H new ATOM 885 N GLU A 55 -1.447 -13.736 20.924 1.00 0.00 N ATOM 886 CA GLU A 55 -2.067 -14.381 19.728 1.00 0.00 C ATOM 887 C GLU A 55 -3.571 -14.531 19.956 1.00 0.00 C ATOM 888 O GLU A 55 -4.017 -14.855 21.039 1.00 0.00 O ATOM 889 CB GLU A 55 -1.437 -15.757 19.468 1.00 0.00 C ATOM 890 CG GLU A 55 0.088 -15.647 19.533 1.00 0.00 C ATOM 891 CD GLU A 55 0.575 -14.670 18.460 1.00 0.00 C ATOM 892 OE1 GLU A 55 0.056 -14.727 17.357 1.00 0.00 O ATOM 893 OE2 GLU A 55 1.456 -13.883 18.760 1.00 0.00 O ATOM 0 H GLU A 55 -1.046 -12.814 20.750 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.890 -13.752 18.855 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.791 -16.475 20.207 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.743 -16.129 18.490 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.397 -15.303 20.520 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.541 -16.627 19.381 1.00 0.00 H new ATOM 900 N GLU A 56 -4.357 -14.288 18.942 1.00 0.00 N ATOM 901 CA GLU A 56 -5.832 -14.407 19.094 1.00 0.00 C ATOM 902 C GLU A 56 -6.280 -13.630 20.327 1.00 0.00 C ATOM 903 O GLU A 56 -7.034 -14.122 21.144 1.00 0.00 O ATOM 904 CB GLU A 56 -6.200 -15.874 19.263 1.00 0.00 C ATOM 905 CG GLU A 56 -6.065 -16.592 17.918 1.00 0.00 C ATOM 906 CD GLU A 56 -7.226 -16.194 17.007 1.00 0.00 C ATOM 907 OE1 GLU A 56 -8.266 -16.823 17.095 1.00 0.00 O ATOM 908 OE2 GLU A 56 -7.055 -15.265 16.234 1.00 0.00 O ATOM 0 H GLU A 56 -4.038 -14.012 18.013 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.325 -14.002 18.210 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.550 -16.340 20.003 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.221 -15.963 19.634 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.116 -16.332 17.449 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.061 -17.671 18.069 1.00 0.00 H new ATOM 915 N ASP A 57 -5.826 -12.418 20.466 1.00 0.00 N ATOM 916 CA ASP A 57 -6.224 -11.595 21.648 1.00 0.00 C ATOM 917 C ASP A 57 -6.351 -10.127 21.227 1.00 0.00 C ATOM 918 O ASP A 57 -7.217 -9.767 20.454 1.00 0.00 O ATOM 919 CB ASP A 57 -5.160 -11.723 22.739 1.00 0.00 C ATOM 920 CG ASP A 57 -5.613 -10.959 23.985 1.00 0.00 C ATOM 921 OD1 ASP A 57 -6.777 -11.068 24.332 1.00 0.00 O ATOM 922 OD2 ASP A 57 -4.788 -10.276 24.569 1.00 0.00 O ATOM 0 H ASP A 57 -5.194 -11.957 19.812 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.181 -11.947 22.032 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.998 -12.773 22.982 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.209 -11.328 22.383 1.00 0.00 H new ATOM 927 N ASP A 58 -5.495 -9.275 21.728 1.00 0.00 N ATOM 928 CA ASP A 58 -5.571 -7.835 21.351 1.00 0.00 C ATOM 929 C ASP A 58 -5.628 -7.712 19.826 1.00 0.00 C ATOM 930 O ASP A 58 -5.906 -6.658 19.288 1.00 0.00 O ATOM 931 CB ASP A 58 -4.337 -7.102 21.879 1.00 0.00 C ATOM 932 CG ASP A 58 -4.484 -5.600 21.624 1.00 0.00 C ATOM 933 OD1 ASP A 58 -5.031 -4.925 22.480 1.00 0.00 O ATOM 934 OD2 ASP A 58 -4.046 -5.153 20.577 1.00 0.00 O ATOM 0 H ASP A 58 -4.749 -9.515 22.380 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.467 -7.391 21.785 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.219 -7.290 22.946 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.440 -7.479 21.388 1.00 0.00 H new ATOM 939 N MET A 59 -5.376 -8.786 19.129 1.00 0.00 N ATOM 940 CA MET A 59 -5.424 -8.736 17.639 1.00 0.00 C ATOM 941 C MET A 59 -6.878 -8.863 17.185 1.00 0.00 C ATOM 942 O MET A 59 -7.158 -9.232 16.062 1.00 0.00 O ATOM 943 CB MET A 59 -4.601 -9.888 17.050 1.00 0.00 C ATOM 944 CG MET A 59 -3.139 -9.775 17.502 1.00 0.00 C ATOM 945 SD MET A 59 -2.433 -8.201 16.946 1.00 0.00 S ATOM 946 CE MET A 59 -2.574 -8.485 15.164 1.00 0.00 C ATOM 0 H MET A 59 -5.139 -9.695 19.526 1.00 0.00 H new ATOM 0 HA MET A 59 -5.007 -7.790 17.293 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.016 -10.843 17.371 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.656 -9.866 15.962 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.080 -9.845 18.588 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.560 -10.605 17.097 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.807 -7.912 14.642 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.440 -9.546 14.953 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.559 -8.168 14.822 1.00 0.00 H new ATOM 956 N ARG A 60 -7.803 -8.552 18.059 1.00 0.00 N ATOM 957 CA ARG A 60 -9.255 -8.638 17.706 1.00 0.00 C ATOM 958 C ARG A 60 -9.936 -7.322 18.087 1.00 0.00 C ATOM 959 O ARG A 60 -10.598 -6.701 17.281 1.00 0.00 O ATOM 960 CB ARG A 60 -9.899 -9.787 18.485 1.00 0.00 C ATOM 961 CG ARG A 60 -9.290 -11.115 18.029 1.00 0.00 C ATOM 962 CD ARG A 60 -9.697 -12.227 18.998 1.00 0.00 C ATOM 963 NE ARG A 60 -11.182 -12.273 19.107 1.00 0.00 N ATOM 964 CZ ARG A 60 -11.764 -13.319 19.627 1.00 0.00 C ATOM 965 NH1 ARG A 60 -11.046 -14.324 20.049 1.00 0.00 N ATOM 966 NH2 ARG A 60 -13.065 -13.360 19.725 1.00 0.00 N ATOM 0 H ARG A 60 -7.613 -8.239 19.011 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.367 -8.817 16.637 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.740 -9.650 19.555 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.977 -9.793 18.321 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.629 -11.355 17.021 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.204 -11.034 17.989 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.318 -13.187 18.647 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.255 -12.049 19.978 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.743 -11.488 18.776 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.029 -14.292 19.972 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.502 -15.141 20.455 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.626 -12.575 19.395 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.520 -14.177 20.131 1.00 0.00 H new ATOM 980 N GLU A 61 -9.794 -6.906 19.317 1.00 0.00 N ATOM 981 CA GLU A 61 -10.442 -5.640 19.771 1.00 0.00 C ATOM 982 C GLU A 61 -10.279 -4.534 18.721 1.00 0.00 C ATOM 983 O GLU A 61 -10.982 -3.543 18.756 1.00 0.00 O ATOM 984 CB GLU A 61 -9.798 -5.192 21.086 1.00 0.00 C ATOM 985 CG GLU A 61 -10.600 -4.033 21.683 1.00 0.00 C ATOM 986 CD GLU A 61 -10.052 -3.695 23.071 1.00 0.00 C ATOM 987 OE1 GLU A 61 -8.880 -3.371 23.161 1.00 0.00 O ATOM 988 OE2 GLU A 61 -10.815 -3.764 24.021 1.00 0.00 O ATOM 0 H GLU A 61 -9.253 -7.392 20.032 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.507 -5.824 19.915 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.765 -6.025 21.789 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.768 -4.882 20.911 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.537 -3.160 21.033 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.654 -4.303 21.752 1.00 0.00 H new ATOM 995 N MET A 62 -9.365 -4.689 17.787 1.00 0.00 N ATOM 996 CA MET A 62 -9.168 -3.633 16.730 1.00 0.00 C ATOM 997 C MET A 62 -9.571 -4.187 15.360 1.00 0.00 C ATOM 998 O MET A 62 -9.390 -3.538 14.350 1.00 0.00 O ATOM 999 CB MET A 62 -7.699 -3.165 16.703 1.00 0.00 C ATOM 1000 CG MET A 62 -6.712 -4.343 16.852 1.00 0.00 C ATOM 1001 SD MET A 62 -7.263 -5.800 15.915 1.00 0.00 S ATOM 1002 CE MET A 62 -6.700 -5.309 14.257 1.00 0.00 C ATOM 0 H MET A 62 -8.748 -5.497 17.709 1.00 0.00 H new ATOM 0 HA MET A 62 -9.799 -2.776 16.968 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.502 -2.644 15.766 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.532 -2.449 17.507 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.725 -4.038 16.504 1.00 0.00 H new ATOM 0 HG3 MET A 62 -6.612 -4.604 17.906 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.203 -5.919 13.507 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.936 -4.258 14.089 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.623 -5.455 14.180 1.00 0.00 H new ATOM 1012 N GLU A 63 -10.112 -5.383 15.325 1.00 0.00 N ATOM 1013 CA GLU A 63 -10.533 -5.999 14.024 1.00 0.00 C ATOM 1014 C GLU A 63 -11.209 -4.942 13.148 1.00 0.00 C ATOM 1015 O GLU A 63 -11.292 -5.074 11.942 1.00 0.00 O ATOM 1016 CB GLU A 63 -11.519 -7.137 14.300 1.00 0.00 C ATOM 1017 CG GLU A 63 -12.744 -6.585 15.032 1.00 0.00 C ATOM 1018 CD GLU A 63 -13.639 -7.743 15.478 1.00 0.00 C ATOM 1019 OE1 GLU A 63 -13.183 -8.546 16.275 1.00 0.00 O ATOM 1020 OE2 GLU A 63 -14.767 -7.806 15.015 1.00 0.00 O ATOM 0 H GLU A 63 -10.281 -5.963 16.147 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.656 -6.389 13.507 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.822 -7.605 13.363 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.040 -7.909 14.902 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.431 -6.000 15.897 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.300 -5.914 14.377 1.00 0.00 H new ATOM 1027 N GLU A 64 -11.676 -3.888 13.752 1.00 0.00 N ATOM 1028 CA GLU A 64 -12.332 -2.802 12.979 1.00 0.00 C ATOM 1029 C GLU A 64 -11.300 -2.139 12.066 1.00 0.00 C ATOM 1030 O GLU A 64 -11.627 -1.618 11.019 1.00 0.00 O ATOM 1031 CB GLU A 64 -12.867 -1.762 13.961 1.00 0.00 C ATOM 1032 CG GLU A 64 -14.121 -2.302 14.650 1.00 0.00 C ATOM 1033 CD GLU A 64 -14.640 -1.265 15.647 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -14.173 -1.270 16.774 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -15.495 -0.483 15.266 1.00 0.00 O ATOM 0 H GLU A 64 -11.630 -3.732 14.759 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.145 -3.209 12.378 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.106 -1.524 14.704 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.099 -0.836 13.435 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.888 -2.526 13.909 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.893 -3.235 15.165 1.00 0.00 H new ATOM 1042 N GLU A 65 -10.056 -2.148 12.460 1.00 0.00 N ATOM 1043 CA GLU A 65 -9.001 -1.513 11.624 1.00 0.00 C ATOM 1044 C GLU A 65 -8.698 -2.402 10.416 1.00 0.00 C ATOM 1045 O GLU A 65 -8.509 -1.926 9.315 1.00 0.00 O ATOM 1046 CB GLU A 65 -7.730 -1.335 12.458 1.00 0.00 C ATOM 1047 CG GLU A 65 -6.763 -0.403 11.726 1.00 0.00 C ATOM 1048 CD GLU A 65 -7.276 1.036 11.810 1.00 0.00 C ATOM 1049 OE1 GLU A 65 -7.001 1.684 12.806 1.00 0.00 O ATOM 1050 OE2 GLU A 65 -7.934 1.465 10.877 1.00 0.00 O ATOM 0 H GLU A 65 -9.725 -2.569 13.328 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.350 -0.540 11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.979 -0.922 13.436 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.258 -2.302 12.631 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.770 -0.472 12.169 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.669 -0.706 10.683 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.650 -3.691 10.612 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.358 -4.606 9.471 1.00 0.00 C ATOM 1059 C ARG A 66 -9.497 -4.506 8.447 1.00 0.00 C ATOM 1060 O ARG A 66 -9.278 -4.574 7.253 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.239 -6.057 9.993 1.00 0.00 C ATOM 1062 CG ARG A 66 -6.777 -6.390 10.325 1.00 0.00 C ATOM 1063 CD ARG A 66 -6.668 -7.863 10.721 1.00 0.00 C ATOM 1064 NE ARG A 66 -7.734 -8.194 11.709 1.00 0.00 N ATOM 1065 CZ ARG A 66 -8.027 -9.440 11.956 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -7.388 -10.395 11.338 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -8.960 -9.732 12.821 1.00 0.00 N ATOM 0 H ARG A 66 -8.800 -4.150 11.510 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.419 -4.323 8.996 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.858 -6.182 10.882 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.615 -6.752 9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.141 -6.186 9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.424 -5.756 11.139 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.766 -8.496 9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.686 -8.063 11.149 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.233 -7.447 12.191 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.659 -10.167 10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.617 -11.370 11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.460 -8.985 13.304 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.189 -10.707 13.014 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.707 -4.349 8.906 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.857 -4.248 7.962 1.00 0.00 C ATOM 1083 C LEU A 67 -11.957 -2.818 7.424 1.00 0.00 C ATOM 1084 O LEU A 67 -12.432 -2.591 6.331 1.00 0.00 O ATOM 1085 CB LEU A 67 -13.155 -4.604 8.698 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.028 -5.990 9.348 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.185 -6.195 10.328 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -13.071 -7.085 8.273 1.00 0.00 C ATOM 0 H LEU A 67 -10.950 -4.286 9.895 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.704 -4.939 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.368 -3.854 9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -13.992 -4.596 8.000 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.077 -6.050 9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.099 -7.178 10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.149 -5.425 11.099 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.132 -6.128 9.792 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -12.980 -8.063 8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.017 -7.029 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.247 -6.942 7.575 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.521 -1.853 8.186 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.604 -0.440 7.717 1.00 0.00 C ATOM 1102 C ARG A 68 -10.568 -0.191 6.617 1.00 0.00 C ATOM 1103 O ARG A 68 -10.820 0.526 5.670 1.00 0.00 O ATOM 1104 CB ARG A 68 -11.347 0.505 8.903 1.00 0.00 C ATOM 1105 CG ARG A 68 -11.518 1.985 8.470 1.00 0.00 C ATOM 1106 CD ARG A 68 -10.151 2.634 8.212 1.00 0.00 C ATOM 1107 NE ARG A 68 -10.346 3.990 7.630 1.00 0.00 N ATOM 1108 CZ ARG A 68 -9.356 4.841 7.618 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -8.201 4.503 8.121 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -9.523 6.029 7.105 1.00 0.00 N ATOM 0 H ARG A 68 -11.112 -1.981 9.111 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.598 -0.251 7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -12.038 0.276 9.714 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.340 0.347 9.289 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.128 2.037 7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.048 2.538 9.246 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.588 2.704 9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.566 2.016 7.532 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.251 4.254 7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.072 3.575 8.523 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.427 5.167 8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.427 6.293 6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.749 6.694 7.096 1.00 0.00 H new ATOM 1124 N MET A 69 -9.404 -0.777 6.727 1.00 0.00 N ATOM 1125 CA MET A 69 -8.359 -0.565 5.675 1.00 0.00 C ATOM 1126 C MET A 69 -8.573 -1.564 4.529 1.00 0.00 C ATOM 1127 O MET A 69 -8.354 -1.247 3.377 1.00 0.00 O ATOM 1128 CB MET A 69 -6.947 -0.742 6.264 1.00 0.00 C ATOM 1129 CG MET A 69 -6.779 0.085 7.546 1.00 0.00 C ATOM 1130 SD MET A 69 -5.289 -0.472 8.412 1.00 0.00 S ATOM 1131 CE MET A 69 -4.931 1.077 9.278 1.00 0.00 C ATOM 0 H MET A 69 -9.130 -1.390 7.495 1.00 0.00 H new ATOM 0 HA MET A 69 -8.449 0.453 5.295 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.769 -1.795 6.480 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.202 -0.437 5.530 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.700 1.145 7.303 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.653 -0.031 8.187 1.00 0.00 H new ATOM 0 HE1 MET A 69 -4.529 0.856 10.267 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.200 1.651 8.709 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.848 1.657 9.380 1.00 0.00 H new ATOM 1141 N ARG A 70 -9.002 -2.762 4.822 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.226 -3.758 3.731 1.00 0.00 C ATOM 1143 C ARG A 70 -10.468 -3.371 2.922 1.00 0.00 C ATOM 1144 O ARG A 70 -10.533 -3.597 1.730 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.429 -5.150 4.336 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.685 -6.168 3.217 1.00 0.00 C ATOM 1147 CD ARG A 70 -9.680 -7.592 3.787 1.00 0.00 C ATOM 1148 NE ARG A 70 -10.204 -8.536 2.760 1.00 0.00 N ATOM 1149 CZ ARG A 70 -10.026 -9.821 2.906 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -9.393 -10.277 3.953 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -10.481 -10.650 2.006 1.00 0.00 N ATOM 0 H ARG A 70 -9.207 -3.094 5.764 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.355 -3.769 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.549 -5.440 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.271 -5.137 5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.643 -5.962 2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.919 -6.074 2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.668 -7.877 4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.294 -7.638 4.687 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.701 -8.179 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.038 -9.629 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.254 -11.281 4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.976 -10.294 1.188 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.342 -11.654 2.121 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.456 -2.796 3.549 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.683 -2.409 2.796 1.00 0.00 C ATOM 1167 C GLU A 71 -12.432 -1.112 2.020 1.00 0.00 C ATOM 1168 O GLU A 71 -12.762 -1.002 0.856 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.840 -2.203 3.773 1.00 0.00 C ATOM 1170 CG GLU A 71 -14.225 -3.546 4.397 1.00 0.00 C ATOM 1171 CD GLU A 71 -14.957 -4.401 3.361 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -16.077 -4.056 3.023 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -14.384 -5.384 2.924 1.00 0.00 O ATOM 0 H GLU A 71 -11.468 -2.578 4.545 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.936 -3.203 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.551 -1.497 4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.696 -1.772 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.333 -4.065 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.862 -3.385 5.267 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.854 -0.128 2.654 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.587 1.161 1.953 1.00 0.00 C ATOM 1182 C HIS A 72 -10.663 0.927 0.749 1.00 0.00 C ATOM 1183 O HIS A 72 -10.785 1.588 -0.262 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.937 2.156 2.920 1.00 0.00 C ATOM 1185 CG HIS A 72 -10.970 3.537 2.322 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -9.894 4.068 1.628 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -11.943 4.507 2.305 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -10.241 5.305 1.226 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -11.480 5.622 1.613 1.00 0.00 N ATOM 0 H HIS A 72 -11.555 -0.161 3.629 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.533 1.571 1.599 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.465 2.149 3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.907 1.861 3.123 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.919 4.418 2.760 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.597 5.961 0.660 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -11.979 6.494 1.439 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.741 0.005 0.834 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.835 -0.229 -0.333 1.00 0.00 C ATOM 1199 C VAL A 73 -9.588 -0.982 -1.435 1.00 0.00 C ATOM 1200 O VAL A 73 -9.656 -0.539 -2.563 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.612 -1.053 0.102 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.806 -1.459 -1.135 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.739 -0.213 1.035 1.00 0.00 C ATOM 0 H VAL A 73 -9.576 -0.589 1.647 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.501 0.736 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.942 -1.949 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.938 -2.043 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.432 -2.058 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.473 -0.565 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.871 -0.796 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.406 0.684 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.316 0.073 1.914 1.00 0.00 H new ATOM 1213 N MET A 74 -10.144 -2.120 -1.127 1.00 0.00 N ATOM 1214 CA MET A 74 -10.872 -2.897 -2.169 1.00 0.00 C ATOM 1215 C MET A 74 -12.097 -2.115 -2.667 1.00 0.00 C ATOM 1216 O MET A 74 -12.644 -2.422 -3.703 1.00 0.00 O ATOM 1217 CB MET A 74 -11.320 -4.255 -1.597 1.00 0.00 C ATOM 1218 CG MET A 74 -10.147 -5.248 -1.599 1.00 0.00 C ATOM 1219 SD MET A 74 -10.784 -6.929 -1.333 1.00 0.00 S ATOM 1220 CE MET A 74 -10.102 -7.708 -2.824 1.00 0.00 C ATOM 0 H MET A 74 -10.126 -2.546 -0.200 1.00 0.00 H new ATOM 0 HA MET A 74 -10.198 -3.064 -3.009 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.693 -4.124 -0.581 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.143 -4.653 -2.190 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.612 -5.195 -2.547 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.434 -4.989 -0.816 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.386 -8.760 -2.847 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.495 -7.207 -3.709 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.015 -7.626 -2.813 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.553 -1.127 -1.954 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.751 -0.376 -2.433 1.00 0.00 C ATOM 1232 C LYS A 75 -13.340 0.691 -3.462 1.00 0.00 C ATOM 1233 O LYS A 75 -14.046 0.932 -4.419 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.427 0.296 -1.230 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.534 1.260 -1.683 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.553 0.522 -2.559 1.00 0.00 C ATOM 1237 CE LYS A 75 -17.824 1.350 -2.667 1.00 0.00 C ATOM 1238 NZ LYS A 75 -18.396 1.569 -1.308 1.00 0.00 N ATOM 0 H LYS A 75 -12.157 -0.807 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.444 -1.068 -2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.850 -0.466 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.683 0.840 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.033 1.687 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.098 2.090 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.136 0.346 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.778 -0.454 -2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.607 2.308 -3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.550 0.839 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.432 1.639 -1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.141 0.771 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.015 2.450 -0.909 1.00 0.00 H new ATOM 1252 N ASN A 76 -12.226 1.356 -3.256 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.803 2.441 -4.207 1.00 0.00 C ATOM 1254 C ASN A 76 -10.667 1.994 -5.141 1.00 0.00 C ATOM 1255 O ASN A 76 -10.482 2.572 -6.194 1.00 0.00 O ATOM 1256 CB ASN A 76 -11.341 3.654 -3.396 1.00 0.00 C ATOM 1257 CG ASN A 76 -10.035 3.321 -2.672 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -9.667 2.075 -2.559 1.00 0.00 O flip ATOM 1259 ND2 ASN A 76 -9.342 4.204 -2.207 1.00 0.00 N flip ATOM 0 H ASN A 76 -11.592 1.196 -2.473 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.660 2.689 -4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.195 4.510 -4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.108 3.934 -2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.630 5.178 -2.296 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.472 3.971 -1.728 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.900 0.987 -4.792 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.784 0.552 -5.707 1.00 0.00 C ATOM 1268 C VAL A 77 -9.271 -0.600 -6.598 1.00 0.00 C ATOM 1269 O VAL A 77 -8.907 -0.688 -7.753 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.556 0.120 -4.883 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.558 -0.628 -5.779 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.858 1.366 -4.314 1.00 0.00 C ATOM 0 H VAL A 77 -9.992 0.452 -3.928 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.490 1.389 -6.341 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.887 -0.532 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.693 -0.929 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.037 -1.513 -6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.234 0.027 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.989 1.062 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.538 2.010 -5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.552 1.911 -3.674 1.00 0.00 H new ATOM 1282 N ASP A 78 -10.105 -1.467 -6.086 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.627 -2.590 -6.927 1.00 0.00 C ATOM 1284 C ASP A 78 -11.099 -2.026 -8.269 1.00 0.00 C ATOM 1285 O ASP A 78 -12.094 -1.335 -8.348 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.802 -3.246 -6.214 1.00 0.00 C ATOM 1287 CG ASP A 78 -12.373 -4.355 -7.087 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -12.753 -4.061 -8.208 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -12.420 -5.480 -6.618 1.00 0.00 O ATOM 0 H ASP A 78 -10.448 -1.448 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.842 -3.328 -7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.478 -3.653 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.572 -2.504 -6.001 1.00 0.00 H new ATOM 1294 N THR A 79 -10.357 -2.264 -9.312 1.00 0.00 N ATOM 1295 CA THR A 79 -10.715 -1.686 -10.643 1.00 0.00 C ATOM 1296 C THR A 79 -11.882 -2.427 -11.332 1.00 0.00 C ATOM 1297 O THR A 79 -12.964 -1.885 -11.444 1.00 0.00 O ATOM 1298 CB THR A 79 -9.471 -1.679 -11.566 1.00 0.00 C ATOM 1299 OG1 THR A 79 -9.823 -2.169 -12.853 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.331 -2.550 -10.987 1.00 0.00 C ATOM 0 H THR A 79 -9.513 -2.837 -9.304 1.00 0.00 H new ATOM 0 HA THR A 79 -11.055 -0.666 -10.464 1.00 0.00 H new ATOM 0 HB THR A 79 -9.117 -0.651 -11.639 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.957 -1.415 -13.465 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.474 -2.522 -11.660 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.038 -2.164 -10.011 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.676 -3.578 -10.882 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.677 -3.621 -11.834 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.788 -4.340 -12.567 1.00 0.00 C ATOM 1310 C ASN A 80 -13.343 -5.479 -11.724 1.00 0.00 C ATOM 1311 O ASN A 80 -13.889 -6.437 -12.234 1.00 0.00 O ATOM 1312 CB ASN A 80 -12.274 -4.893 -13.899 1.00 0.00 C ATOM 1313 CG ASN A 80 -11.056 -5.789 -13.654 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -10.029 -5.316 -13.001 1.00 0.00 O flip ATOM 1315 ND2 ASN A 80 -11.040 -6.933 -14.061 1.00 0.00 N flip ATOM 0 H ASN A 80 -10.797 -4.133 -11.773 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.586 -3.622 -12.758 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -13.061 -5.461 -14.395 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -12.005 -4.073 -14.564 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.841 -7.304 -14.571 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.225 -7.523 -13.893 1.00 0.00 H new ATOM 1322 N GLN A 81 -13.242 -5.365 -10.440 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.789 -6.412 -9.546 1.00 0.00 C ATOM 1324 C GLN A 81 -13.427 -7.809 -10.046 1.00 0.00 C ATOM 1325 O GLN A 81 -14.268 -8.565 -10.491 1.00 0.00 O ATOM 1326 CB GLN A 81 -15.316 -6.275 -9.456 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.687 -5.111 -8.529 1.00 0.00 C ATOM 1328 CD GLN A 81 -15.530 -5.542 -7.067 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -14.884 -6.642 -6.785 1.00 0.00 O flip ATOM 1330 NE2 GLN A 81 -15.999 -4.870 -6.170 1.00 0.00 N flip ATOM 0 H GLN A 81 -12.798 -4.581 -9.962 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.349 -6.277 -8.558 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.733 -6.106 -10.449 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.751 -7.202 -9.081 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.048 -4.252 -8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.714 -4.797 -8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.504 -4.011 -6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.888 -5.165 -5.200 1.00 0.00 H new ATOM 1339 N ASP A 82 -12.183 -8.161 -9.932 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.723 -9.518 -10.344 1.00 0.00 C ATOM 1341 C ASP A 82 -10.789 -10.014 -9.248 1.00 0.00 C ATOM 1342 O ASP A 82 -9.984 -10.903 -9.440 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.967 -9.432 -11.675 1.00 0.00 C ATOM 1344 CG ASP A 82 -11.970 -9.340 -12.828 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -12.632 -8.321 -12.931 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -12.058 -10.290 -13.588 1.00 0.00 O ATOM 0 H ASP A 82 -11.448 -7.557 -9.564 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.566 -10.195 -10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.313 -8.560 -11.678 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.331 -10.308 -11.801 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.891 -9.405 -8.097 1.00 0.00 N ATOM 1352 CA ARG A 83 -10.019 -9.775 -6.955 1.00 0.00 C ATOM 1353 C ARG A 83 -8.562 -9.540 -7.347 1.00 0.00 C ATOM 1354 O ARG A 83 -7.663 -9.723 -6.550 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.226 -11.241 -6.573 1.00 0.00 C ATOM 1356 CG ARG A 83 -11.733 -11.549 -6.502 1.00 0.00 C ATOM 1357 CD ARG A 83 -11.946 -12.942 -5.902 1.00 0.00 C ATOM 1358 NE ARG A 83 -13.406 -13.203 -5.755 1.00 0.00 N ATOM 1359 CZ ARG A 83 -13.835 -14.419 -5.549 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -12.984 -15.406 -5.473 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -15.113 -14.648 -5.419 1.00 0.00 N ATOM 0 H ARG A 83 -11.554 -8.655 -7.901 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.275 -9.159 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.746 -11.889 -7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.757 -11.446 -5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.239 -10.799 -5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.172 -11.501 -7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.493 -13.699 -6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.454 -13.011 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.070 -12.431 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.985 -15.227 -5.574 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.318 -16.356 -5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.778 -13.877 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.447 -15.598 -5.258 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.320 -9.123 -8.570 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.920 -8.857 -9.030 1.00 0.00 C ATOM 1377 C LEU A 84 -6.816 -7.388 -9.445 1.00 0.00 C ATOM 1378 O LEU A 84 -7.661 -6.871 -10.149 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.593 -9.733 -10.249 1.00 0.00 C ATOM 1380 CG LEU A 84 -6.842 -11.237 -9.936 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -7.264 -11.971 -11.216 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.565 -11.904 -9.384 1.00 0.00 C ATOM 0 H LEU A 84 -9.040 -8.955 -9.273 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.223 -9.083 -8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.207 -9.427 -11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.553 -9.585 -10.539 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.631 -11.299 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.437 -13.024 -10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.181 -11.527 -11.604 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.474 -11.884 -11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.765 -12.955 -9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.767 -11.828 -10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.260 -11.402 -8.466 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.784 -6.718 -9.014 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.593 -5.272 -9.369 1.00 0.00 C ATOM 1396 C VAL A 85 -4.421 -5.166 -10.347 1.00 0.00 C ATOM 1397 O VAL A 85 -3.373 -5.738 -10.116 1.00 0.00 O ATOM 1398 CB VAL A 85 -5.276 -4.480 -8.093 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.849 -3.059 -8.473 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.516 -4.429 -7.195 1.00 0.00 C ATOM 0 H VAL A 85 -5.052 -7.111 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.496 -4.868 -9.827 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.466 -4.969 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.623 -2.493 -7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.962 -3.102 -9.105 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.658 -2.569 -9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.287 -3.866 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.332 -3.942 -7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.812 -5.443 -6.926 1.00 0.00 H new ATOM 1410 N THR A 86 -4.575 -4.450 -11.444 1.00 0.00 N ATOM 1411 CA THR A 86 -3.443 -4.341 -12.420 1.00 0.00 C ATOM 1412 C THR A 86 -2.684 -3.039 -12.185 1.00 0.00 C ATOM 1413 O THR A 86 -3.207 -2.089 -11.639 1.00 0.00 O ATOM 1414 CB THR A 86 -3.982 -4.380 -13.843 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.940 -3.347 -14.020 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.631 -5.740 -14.105 1.00 0.00 C ATOM 0 H THR A 86 -5.424 -3.945 -11.700 1.00 0.00 H new ATOM 0 HA THR A 86 -2.763 -5.181 -12.276 1.00 0.00 H new ATOM 0 HB THR A 86 -3.162 -4.230 -14.546 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.803 -3.740 -14.267 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.017 -5.769 -15.124 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.889 -6.528 -13.976 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.450 -5.894 -13.402 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.455 -2.988 -12.608 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.655 -1.749 -12.427 1.00 0.00 C ATOM 1426 C LEU A 87 -1.334 -0.634 -13.230 1.00 0.00 C ATOM 1427 O LEU A 87 -1.380 0.508 -12.825 1.00 0.00 O ATOM 1428 CB LEU A 87 0.785 -2.027 -12.935 1.00 0.00 C ATOM 1429 CG LEU A 87 1.642 -0.742 -13.111 1.00 0.00 C ATOM 1430 CD1 LEU A 87 1.171 0.102 -14.315 1.00 0.00 C ATOM 1431 CD2 LEU A 87 1.633 0.091 -11.820 1.00 0.00 C ATOM 0 H LEU A 87 -0.968 -3.754 -13.073 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.597 -1.443 -11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.286 -2.695 -12.234 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.730 -2.550 -13.890 1.00 0.00 H new ATOM 0 HG LEU A 87 2.666 -1.053 -13.317 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.796 0.991 -14.403 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.251 -0.489 -15.227 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.134 0.401 -14.166 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.238 0.987 -11.961 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.609 0.378 -11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.045 -0.500 -11.003 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.869 -0.977 -14.365 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.553 0.024 -15.241 1.00 0.00 C ATOM 1445 C GLU A 88 -3.715 0.727 -14.528 1.00 0.00 C ATOM 1446 O GLU A 88 -3.644 1.905 -14.222 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.115 -0.716 -16.458 1.00 0.00 C ATOM 1448 CG GLU A 88 -1.963 -1.174 -17.356 1.00 0.00 C ATOM 1449 CD GLU A 88 -1.126 -2.221 -16.620 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -1.713 -3.093 -16.001 1.00 0.00 O ATOM 1451 OE2 GLU A 88 0.089 -2.135 -16.691 1.00 0.00 O ATOM 0 H GLU A 88 -1.863 -1.928 -14.734 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.823 0.784 -15.521 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.702 -1.576 -16.135 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.787 -0.063 -17.015 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.355 -1.593 -18.283 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.340 -0.322 -17.629 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.798 0.041 -14.299 1.00 0.00 N ATOM 1459 CA GLU A 89 -5.961 0.717 -13.657 1.00 0.00 C ATOM 1460 C GLU A 89 -5.575 1.228 -12.267 1.00 0.00 C ATOM 1461 O GLU A 89 -6.067 2.243 -11.814 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.158 -0.241 -13.556 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.259 -1.096 -14.825 1.00 0.00 C ATOM 1464 CD GLU A 89 -7.341 -0.184 -16.051 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -8.396 0.391 -16.267 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -6.350 -0.076 -16.753 1.00 0.00 O ATOM 0 H GLU A 89 -4.930 -0.945 -14.524 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.250 1.565 -14.277 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.046 -0.884 -12.683 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.078 0.327 -13.417 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.392 -1.752 -14.904 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.140 -1.736 -14.776 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.700 0.545 -11.584 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.298 1.015 -10.234 1.00 0.00 C ATOM 1475 C PHE A 90 -3.745 2.445 -10.339 1.00 0.00 C ATOM 1476 O PHE A 90 -4.143 3.323 -9.600 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.248 0.062 -9.666 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.574 0.690 -8.466 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -3.144 0.564 -7.194 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.383 1.406 -8.633 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.522 1.154 -6.088 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.762 1.997 -7.527 1.00 0.00 C ATOM 1483 CZ PHE A 90 -1.331 1.871 -6.255 1.00 0.00 C ATOM 0 H PHE A 90 -4.249 -0.313 -11.901 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.157 1.026 -9.564 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.717 -0.879 -9.379 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.506 -0.171 -10.429 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.063 0.012 -7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.944 1.502 -9.615 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.960 1.056 -5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.157 2.550 -7.655 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.851 2.327 -5.402 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.849 2.694 -11.259 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.308 4.078 -11.406 1.00 0.00 C ATOM 1495 C LEU A 91 -3.476 5.053 -11.527 1.00 0.00 C ATOM 1496 O LEU A 91 -3.513 6.073 -10.865 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.440 4.178 -12.673 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.082 3.475 -12.452 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.735 3.532 -13.750 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.717 4.156 -11.314 1.00 0.00 C ATOM 0 H LEU A 91 -2.471 2.005 -11.910 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.698 4.319 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.960 3.721 -13.515 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.277 5.225 -12.929 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.270 2.439 -12.170 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.694 3.037 -13.598 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.188 3.027 -14.547 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.904 4.572 -14.028 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.668 3.642 -11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.902 5.199 -11.573 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.144 4.108 -10.388 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.431 4.747 -12.373 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.611 5.653 -12.549 1.00 0.00 C ATOM 1514 C ALA A 92 -6.076 6.177 -11.184 1.00 0.00 C ATOM 1515 O ALA A 92 -6.125 7.369 -10.950 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.751 4.874 -13.209 1.00 0.00 C ATOM 0 H ALA A 92 -4.444 3.907 -12.951 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.327 6.497 -13.178 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.612 5.530 -13.339 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.425 4.506 -14.182 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.029 4.031 -12.577 1.00 0.00 H new ATOM 1522 N SER A 93 -6.402 5.295 -10.280 1.00 0.00 N ATOM 1523 CA SER A 93 -6.847 5.735 -8.928 1.00 0.00 C ATOM 1524 C SER A 93 -5.807 6.687 -8.333 1.00 0.00 C ATOM 1525 O SER A 93 -6.130 7.610 -7.610 1.00 0.00 O ATOM 1526 CB SER A 93 -6.979 4.508 -8.025 1.00 0.00 C ATOM 1527 OG SER A 93 -7.434 4.917 -6.741 1.00 0.00 O ATOM 0 H SER A 93 -6.379 4.285 -10.420 1.00 0.00 H new ATOM 0 HA SER A 93 -7.806 6.247 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.678 3.795 -8.461 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.018 4.001 -7.939 1.00 0.00 H new ATOM 0 HG SER A 93 -7.521 4.133 -6.160 1.00 0.00 H new ATOM 1533 N THR A 94 -4.555 6.464 -8.636 1.00 0.00 N ATOM 1534 CA THR A 94 -3.467 7.341 -8.104 1.00 0.00 C ATOM 1535 C THR A 94 -3.015 8.305 -9.199 1.00 0.00 C ATOM 1536 O THR A 94 -1.908 8.804 -9.184 1.00 0.00 O ATOM 1537 CB THR A 94 -2.281 6.467 -7.688 1.00 0.00 C ATOM 1538 OG1 THR A 94 -1.568 6.056 -8.847 1.00 0.00 O ATOM 1539 CG2 THR A 94 -2.790 5.237 -6.937 1.00 0.00 C ATOM 0 H THR A 94 -4.235 5.704 -9.236 1.00 0.00 H new ATOM 0 HA THR A 94 -3.834 7.904 -7.246 1.00 0.00 H new ATOM 0 HB THR A 94 -1.619 7.038 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.174 6.046 -9.617 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.945 4.616 -6.641 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.336 5.553 -6.048 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.453 4.664 -7.585 1.00 0.00 H new ATOM 1547 N GLN A 95 -3.860 8.561 -10.160 1.00 0.00 N ATOM 1548 CA GLN A 95 -3.478 9.481 -11.270 1.00 0.00 C ATOM 1549 C GLN A 95 -4.728 10.139 -11.852 1.00 0.00 C ATOM 1550 O GLN A 95 -5.756 9.511 -12.013 1.00 0.00 O ATOM 1551 CB GLN A 95 -2.779 8.675 -12.370 1.00 0.00 C ATOM 1552 CG GLN A 95 -1.414 8.185 -11.870 1.00 0.00 C ATOM 1553 CD GLN A 95 -0.570 7.724 -13.073 1.00 0.00 C ATOM 1554 OE1 GLN A 95 -1.037 7.767 -14.194 1.00 0.00 O ATOM 1555 NE2 GLN A 95 0.657 7.282 -12.902 1.00 0.00 N ATOM 0 H GLN A 95 -4.801 8.172 -10.225 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.809 10.251 -10.886 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.397 7.825 -12.659 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.650 9.292 -13.259 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.901 8.984 -11.335 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.545 7.363 -11.166 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.059 7.242 -11.965 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.207 6.980 -13.706 1.00 0.00 H new ATOM 1564 N ARG A 96 -4.642 11.401 -12.182 1.00 0.00 N ATOM 1565 CA ARG A 96 -5.813 12.115 -12.770 1.00 0.00 C ATOM 1566 C ARG A 96 -5.300 13.132 -13.793 1.00 0.00 C ATOM 1567 O ARG A 96 -6.006 14.033 -14.198 1.00 0.00 O ATOM 1568 CB ARG A 96 -6.587 12.837 -11.658 1.00 0.00 C ATOM 1569 CG ARG A 96 -7.471 11.831 -10.898 1.00 0.00 C ATOM 1570 CD ARG A 96 -8.600 11.296 -11.811 1.00 0.00 C ATOM 1571 NE ARG A 96 -9.902 11.286 -11.068 1.00 0.00 N ATOM 1572 CZ ARG A 96 -9.990 10.798 -9.857 1.00 0.00 C ATOM 1573 NH1 ARG A 96 -8.966 10.207 -9.306 1.00 0.00 N ATOM 1574 NH2 ARG A 96 -11.120 10.874 -9.210 1.00 0.00 N ATOM 0 H ARG A 96 -3.804 11.972 -12.068 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.480 11.404 -13.258 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.890 13.315 -10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.205 13.626 -12.086 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.861 11.001 -10.541 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.903 12.310 -10.020 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.685 11.920 -12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.358 10.289 -12.150 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.736 11.667 -11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.089 10.123 -9.819 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.043 9.829 -8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.930 11.312 -9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.194 10.495 -8.266 1.00 0.00 H new ATOM 1588 N LYS A 97 -4.067 12.986 -14.205 1.00 0.00 N ATOM 1589 CA LYS A 97 -3.477 13.930 -15.199 1.00 0.00 C ATOM 1590 C LYS A 97 -3.545 15.362 -14.662 1.00 0.00 C ATOM 1591 O LYS A 97 -3.146 16.300 -15.322 1.00 0.00 O ATOM 1592 CB LYS A 97 -4.244 13.844 -16.525 1.00 0.00 C ATOM 1593 CG LYS A 97 -4.294 12.390 -16.999 1.00 0.00 C ATOM 1594 CD LYS A 97 -4.862 12.334 -18.420 1.00 0.00 C ATOM 1595 CE LYS A 97 -4.672 10.927 -18.990 1.00 0.00 C ATOM 1596 NZ LYS A 97 -5.107 9.920 -17.981 1.00 0.00 N ATOM 0 H LYS A 97 -3.439 12.246 -13.892 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.436 13.656 -15.368 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.255 14.230 -16.397 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.759 14.465 -17.278 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.295 11.955 -16.978 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.913 11.798 -16.325 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.920 12.594 -18.411 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.360 13.065 -19.053 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.251 10.813 -19.906 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.626 10.767 -19.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.400 9.048 -18.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.318 9.710 -17.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.907 10.299 -17.435 1.00 0.00 H new ATOM 1610 N GLU A 98 -4.041 15.539 -13.466 1.00 0.00 N ATOM 1611 CA GLU A 98 -4.127 16.913 -12.887 1.00 0.00 C ATOM 1612 C GLU A 98 -2.822 17.234 -12.157 1.00 0.00 C ATOM 1613 O GLU A 98 -2.825 17.666 -11.022 1.00 0.00 O ATOM 1614 CB GLU A 98 -5.293 16.981 -11.897 1.00 0.00 C ATOM 1615 CG GLU A 98 -6.622 16.963 -12.657 1.00 0.00 C ATOM 1616 CD GLU A 98 -7.771 16.778 -11.666 1.00 0.00 C ATOM 1617 OE1 GLU A 98 -7.622 15.978 -10.758 1.00 0.00 O ATOM 1618 OE2 GLU A 98 -8.783 17.440 -11.832 1.00 0.00 O ATOM 0 H GLU A 98 -4.390 14.793 -12.865 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.289 17.636 -13.687 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.246 16.138 -11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.219 17.888 -11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.750 17.894 -13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.624 16.155 -13.389 1.00 0.00 H new ATOM 1625 N PHE A 99 -1.706 17.025 -12.800 1.00 0.00 N ATOM 1626 CA PHE A 99 -0.398 17.316 -12.146 1.00 0.00 C ATOM 1627 C PHE A 99 -0.381 16.714 -10.739 1.00 0.00 C ATOM 1628 O PHE A 99 -0.012 15.558 -10.614 1.00 0.00 O ATOM 1629 CB PHE A 99 -0.200 18.830 -12.056 1.00 0.00 C ATOM 1630 CG PHE A 99 0.021 19.391 -13.443 1.00 0.00 C ATOM 1631 CD1 PHE A 99 -1.075 19.789 -14.221 1.00 0.00 C ATOM 1632 CD2 PHE A 99 1.321 19.514 -13.952 1.00 0.00 C ATOM 1633 CE1 PHE A 99 -0.871 20.308 -15.505 1.00 0.00 C ATOM 1634 CE2 PHE A 99 1.523 20.033 -15.236 1.00 0.00 C ATOM 1635 CZ PHE A 99 0.428 20.430 -16.013 1.00 0.00 C ATOM 1636 OXT PHE A 99 -0.739 17.420 -9.810 1.00 0.00 O ATOM 0 H PHE A 99 -1.643 16.665 -13.752 1.00 0.00 H new ATOM 0 HA PHE A 99 0.407 16.877 -12.736 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.073 19.295 -11.598 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.654 19.059 -11.419 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.077 19.695 -13.830 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.167 19.208 -13.354 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.716 20.614 -16.104 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.525 20.127 -15.628 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.585 20.830 -17.004 1.00 0.00 H new TER 1646 PHE A 99