USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 907 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 103 GLN : amide:sc= -4.9 K(o=-15,f=-22!) USER MOD Set 1.2: A 104 GLN : amide:sc= -10.2! C(o=-15!,f=-23!) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0.633 USER MOD Set 2.2: A 64 THR OG1 : rot -74:sc= 0.696 USER MOD Single : A 8 SER OG : rot 160:sc= -0.875 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= 0.448 (180deg=0.313) USER MOD Single : A 24 TYR OH : rot 48:sc= 1.13 USER MOD Single : A 28 SER OG : rot 180:sc= -0.104 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.396 USER MOD Single : A 39 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.0079) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 140:sc= -3.17! (180deg=-6.13!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.9) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 82 TYR OH : rot 0:sc= -4.05! USER MOD Single : A 84 ASN : amide:sc= -5.63 K(o=-5.6,f=-6.5!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.632 K(o=-0.63,f=-1.6!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 95:sc= 1.26 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 171:sc= 0.881 (180deg=0.813) USER MOD ----------------------------------------------------------------- ATOM 14 N ARG A 2 7.633 4.181 -13.077 1.00 0.00 N ATOM 15 CA ARG A 2 7.869 4.371 -11.650 1.00 0.00 C ATOM 16 C ARG A 2 7.243 3.241 -10.841 1.00 0.00 C ATOM 17 O ARG A 2 6.695 2.293 -11.406 1.00 0.00 O ATOM 18 CB ARG A 2 7.314 5.724 -11.191 1.00 0.00 C ATOM 19 CG ARG A 2 5.798 5.826 -11.254 1.00 0.00 C ATOM 20 CD ARG A 2 5.283 5.685 -12.677 1.00 0.00 C ATOM 21 NE ARG A 2 4.185 6.606 -12.957 1.00 0.00 N ATOM 22 CZ ARG A 2 4.354 7.878 -13.313 1.00 0.00 C ATOM 23 NH1 ARG A 2 5.576 8.388 -13.424 1.00 0.00 N ATOM 24 NH2 ARG A 2 3.300 8.645 -13.554 1.00 0.00 N ATOM 0 HA ARG A 2 8.946 4.358 -11.480 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.638 5.909 -10.167 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.747 6.511 -11.809 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.355 5.051 -10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.481 6.786 -10.846 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.098 5.869 -13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.948 4.661 -12.841 1.00 0.00 H new ATOM 0 HE ARG A 2 3.231 6.254 -12.875 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.391 7.804 -13.236 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.699 9.363 -13.697 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.359 8.261 -13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.430 9.619 -13.827 1.00 0.00 H new ATOM 38 N LEU A 3 7.326 3.347 -9.516 1.00 0.00 N ATOM 39 CA LEU A 3 6.767 2.331 -8.627 1.00 0.00 C ATOM 40 C LEU A 3 5.363 1.935 -9.071 1.00 0.00 C ATOM 41 O LEU A 3 4.417 2.706 -8.927 1.00 0.00 O ATOM 42 CB LEU A 3 6.730 2.851 -7.188 1.00 0.00 C ATOM 43 CG LEU A 3 6.994 1.797 -6.111 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.391 1.214 -6.267 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.813 2.398 -4.724 1.00 0.00 C ATOM 0 H LEU A 3 7.775 4.126 -9.035 1.00 0.00 H new ATOM 0 HA LEU A 3 7.406 1.449 -8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.469 3.646 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.753 3.299 -7.005 1.00 0.00 H new ATOM 0 HG LEU A 3 6.272 0.989 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.562 0.466 -5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.483 0.748 -7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.130 2.010 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.004 1.635 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.512 3.224 -4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.793 2.766 -4.617 1.00 0.00 H new ATOM 57 N GLU A 4 5.237 0.732 -9.620 1.00 0.00 N ATOM 58 CA GLU A 4 3.948 0.250 -10.094 1.00 0.00 C ATOM 59 C GLU A 4 3.879 -1.272 -10.065 1.00 0.00 C ATOM 60 O GLU A 4 4.903 -1.954 -10.068 1.00 0.00 O ATOM 61 CB GLU A 4 3.694 0.754 -11.516 1.00 0.00 C ATOM 62 CG GLU A 4 4.636 0.156 -12.553 1.00 0.00 C ATOM 63 CD GLU A 4 4.185 -1.206 -13.043 1.00 0.00 C ATOM 64 OE1 GLU A 4 3.083 -1.645 -12.654 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.937 -1.835 -13.817 1.00 0.00 O ATOM 0 H GLU A 4 6.008 0.077 -9.747 1.00 0.00 H new ATOM 0 HA GLU A 4 3.178 0.636 -9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.666 0.524 -11.796 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.793 1.839 -11.531 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.712 0.835 -13.402 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.634 0.070 -12.123 1.00 0.00 H new ATOM 72 N GLY A 5 2.657 -1.794 -10.046 1.00 0.00 N ATOM 73 CA GLY A 5 2.459 -3.230 -10.025 1.00 0.00 C ATOM 74 C GLY A 5 1.161 -3.611 -9.353 1.00 0.00 C ATOM 75 O GLY A 5 0.180 -2.869 -9.418 1.00 0.00 O ATOM 0 H GLY A 5 1.797 -1.245 -10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.465 -3.612 -11.046 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.290 -3.703 -9.503 1.00 0.00 H new ATOM 79 N TRP A 6 1.149 -4.763 -8.698 1.00 0.00 N ATOM 80 CA TRP A 6 -0.044 -5.228 -8.008 1.00 0.00 C ATOM 81 C TRP A 6 0.244 -5.495 -6.543 1.00 0.00 C ATOM 82 O TRP A 6 1.156 -6.250 -6.205 1.00 0.00 O ATOM 83 CB TRP A 6 -0.584 -6.498 -8.652 1.00 0.00 C ATOM 84 CG TRP A 6 -0.850 -6.343 -10.109 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.074 -6.345 -11.099 1.00 0.00 C ATOM 86 CD2 TRP A 6 -2.120 -6.157 -10.736 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.534 -6.160 -12.314 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.886 -6.047 -12.118 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.429 -6.073 -10.262 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.918 -5.855 -13.034 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.455 -5.884 -11.169 1.00 0.00 C ATOM 92 CH2 TRP A 6 -4.194 -5.777 -12.542 1.00 0.00 C ATOM 0 H TRP A 6 1.950 -5.391 -8.630 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.793 -4.440 -8.086 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.131 -7.307 -8.503 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.506 -6.790 -8.149 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.136 -6.474 -10.953 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -0.059 -6.114 -13.215 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.637 -6.154 -9.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.719 -5.771 -14.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.473 -5.818 -10.814 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -5.016 -5.630 -13.226 1.00 0.00 H new ATOM 103 N LEU A 7 -0.552 -4.891 -5.679 1.00 0.00 N ATOM 104 CA LEU A 7 -0.400 -5.084 -4.250 1.00 0.00 C ATOM 105 C LEU A 7 -1.684 -5.654 -3.680 1.00 0.00 C ATOM 106 O LEU A 7 -2.764 -5.439 -4.225 1.00 0.00 O ATOM 107 CB LEU A 7 -0.025 -3.776 -3.564 1.00 0.00 C ATOM 108 CG LEU A 7 1.369 -3.256 -3.923 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.490 -1.778 -3.604 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.438 -4.051 -3.192 1.00 0.00 C ATOM 0 H LEU A 7 -1.311 -4.262 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 7 0.410 -5.790 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.762 -3.017 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.081 -3.916 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 7 1.517 -3.385 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.489 -1.430 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.749 -1.220 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.320 -1.621 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.423 -3.668 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.291 -3.955 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.368 -5.101 -3.476 1.00 0.00 H new ATOM 122 N SER A 8 -1.559 -6.408 -2.607 1.00 0.00 N ATOM 123 CA SER A 8 -2.718 -7.045 -2.001 1.00 0.00 C ATOM 124 C SER A 8 -3.281 -6.240 -0.840 1.00 0.00 C ATOM 125 O SER A 8 -2.544 -5.758 0.021 1.00 0.00 O ATOM 126 CB SER A 8 -2.362 -8.458 -1.545 1.00 0.00 C ATOM 127 OG SER A 8 -2.920 -9.431 -2.413 1.00 0.00 O ATOM 0 H SER A 8 -0.674 -6.596 -2.136 1.00 0.00 H new ATOM 0 HA SER A 8 -3.496 -7.094 -2.763 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.278 -8.572 -1.515 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.727 -8.619 -0.531 1.00 0.00 H new ATOM 0 HG SER A 8 -2.437 -10.278 -2.309 1.00 0.00 H new ATOM 133 N LEU A 9 -4.603 -6.113 -0.830 1.00 0.00 N ATOM 134 CA LEU A 9 -5.304 -5.384 0.216 1.00 0.00 C ATOM 135 C LEU A 9 -6.354 -6.278 0.869 1.00 0.00 C ATOM 136 O LEU A 9 -6.842 -7.225 0.250 1.00 0.00 O ATOM 137 CB LEU A 9 -5.972 -4.138 -0.365 1.00 0.00 C ATOM 138 CG LEU A 9 -5.017 -3.113 -0.976 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.607 -3.532 -2.380 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.662 -1.735 -0.994 1.00 0.00 C ATOM 0 H LEU A 9 -5.215 -6.511 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.580 -5.078 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.683 -4.450 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.546 -3.651 0.424 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.119 -3.066 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.927 -2.789 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.107 -4.500 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.493 -3.608 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.970 -1.015 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.575 -1.768 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.903 -1.433 0.025 1.00 0.00 H new ATOM 152 N PRO A 10 -6.724 -5.993 2.127 1.00 0.00 N ATOM 153 CA PRO A 10 -7.725 -6.781 2.847 1.00 0.00 C ATOM 154 C PRO A 10 -9.085 -6.747 2.156 1.00 0.00 C ATOM 155 O PRO A 10 -9.801 -5.749 2.221 1.00 0.00 O ATOM 156 CB PRO A 10 -7.804 -6.111 4.224 1.00 0.00 C ATOM 157 CG PRO A 10 -7.231 -4.747 4.026 1.00 0.00 C ATOM 158 CD PRO A 10 -6.202 -4.882 2.941 1.00 0.00 C ATOM 0 HA PRO A 10 -7.452 -7.835 2.897 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.833 -6.059 4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.239 -6.672 4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.007 -4.036 3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.781 -4.376 4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.106 -3.965 2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.215 -5.107 3.346 1.00 0.00 H new ATOM 166 N VAL A 11 -9.432 -7.845 1.490 1.00 0.00 N ATOM 167 CA VAL A 11 -10.702 -7.940 0.779 1.00 0.00 C ATOM 168 C VAL A 11 -11.677 -8.864 1.504 1.00 0.00 C ATOM 169 O VAL A 11 -11.413 -10.056 1.667 1.00 0.00 O ATOM 170 CB VAL A 11 -10.503 -8.446 -0.662 1.00 0.00 C ATOM 171 CG1 VAL A 11 -9.948 -9.864 -0.667 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.807 -8.373 -1.442 1.00 0.00 C ATOM 0 H VAL A 11 -8.851 -8.681 1.428 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.120 -6.934 0.748 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.776 -7.798 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.816 -10.199 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.986 -9.880 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.644 -10.529 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.644 -8.735 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.559 -8.992 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.153 -7.340 -1.476 1.00 0.00 H new ATOM 319 N TRP A 20 -6.798 -11.166 0.770 1.00 0.00 N ATOM 320 CA TRP A 20 -5.932 -10.322 -0.040 1.00 0.00 C ATOM 321 C TRP A 20 -6.412 -10.262 -1.482 1.00 0.00 C ATOM 322 O TRP A 20 -7.042 -11.193 -1.982 1.00 0.00 O ATOM 323 CB TRP A 20 -4.494 -10.835 -0.006 1.00 0.00 C ATOM 324 CG TRP A 20 -3.948 -10.995 1.381 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.539 -12.154 1.973 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.750 -9.957 2.346 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.094 -11.899 3.249 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.216 -10.559 3.503 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.973 -8.577 2.347 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.901 -9.827 4.645 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.661 -7.853 3.483 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.129 -8.478 4.616 1.00 0.00 C ATOM 0 HA TRP A 20 -5.968 -9.318 0.383 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.447 -11.795 -0.519 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.858 -10.146 -0.561 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.561 -13.129 1.508 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.732 -12.595 3.901 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.381 -8.085 1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.492 -10.307 5.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.831 -6.787 3.496 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.893 -7.883 5.486 1.00 0.00 H new ATOM 343 N VAL A 21 -6.095 -9.159 -2.148 1.00 0.00 N ATOM 344 CA VAL A 21 -6.477 -8.967 -3.539 1.00 0.00 C ATOM 345 C VAL A 21 -5.501 -8.030 -4.241 1.00 0.00 C ATOM 346 O VAL A 21 -5.350 -6.873 -3.846 1.00 0.00 O ATOM 347 CB VAL A 21 -7.906 -8.401 -3.657 1.00 0.00 C ATOM 348 CG1 VAL A 21 -8.002 -7.040 -2.985 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.328 -8.316 -5.117 1.00 0.00 C ATOM 0 H VAL A 21 -5.572 -8.382 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.449 -9.944 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.588 -9.079 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.019 -6.658 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.748 -7.137 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.309 -6.348 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.339 -7.914 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.643 -7.662 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.304 -9.311 -5.561 1.00 0.00 H new ATOM 359 N LYS A 22 -4.832 -8.532 -5.273 1.00 0.00 N ATOM 360 CA LYS A 22 -3.863 -7.730 -6.005 1.00 0.00 C ATOM 361 C LYS A 22 -4.543 -6.654 -6.840 1.00 0.00 C ATOM 362 O LYS A 22 -5.174 -6.942 -7.858 1.00 0.00 O ATOM 363 CB LYS A 22 -3.025 -8.611 -6.937 1.00 0.00 C ATOM 364 CG LYS A 22 -1.570 -8.740 -6.524 1.00 0.00 C ATOM 365 CD LYS A 22 -0.828 -9.739 -7.404 1.00 0.00 C ATOM 366 CE LYS A 22 -1.019 -9.449 -8.890 1.00 0.00 C ATOM 367 NZ LYS A 22 -1.209 -10.698 -9.678 1.00 0.00 N ATOM 0 H LYS A 22 -4.943 -9.485 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.221 -7.254 -5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.470 -9.605 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.070 -8.201 -7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.085 -7.766 -6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.513 -9.057 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.235 -9.713 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.180 -10.747 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.884 -8.799 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.152 -8.909 -9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.335 -10.459 -10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.373 -11.307 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.051 -11.201 -9.333 1.00 0.00 H new ATOM 381 N LYS A 23 -4.374 -5.410 -6.418 1.00 0.00 N ATOM 382 CA LYS A 23 -4.924 -4.274 -7.136 1.00 0.00 C ATOM 383 C LYS A 23 -3.780 -3.502 -7.765 1.00 0.00 C ATOM 384 O LYS A 23 -2.697 -3.410 -7.185 1.00 0.00 O ATOM 385 CB LYS A 23 -5.724 -3.365 -6.204 1.00 0.00 C ATOM 386 CG LYS A 23 -6.834 -4.086 -5.457 1.00 0.00 C ATOM 387 CD LYS A 23 -8.027 -4.349 -6.361 1.00 0.00 C ATOM 388 CE LYS A 23 -9.110 -5.143 -5.646 1.00 0.00 C ATOM 389 NZ LYS A 23 -10.458 -4.539 -5.833 1.00 0.00 N ATOM 0 H LYS A 23 -3.856 -5.162 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.605 -4.633 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.045 -2.912 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.158 -2.552 -6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.457 -5.030 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.148 -3.488 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.439 -3.400 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.700 -4.895 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.116 -6.167 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.880 -5.194 -4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.189 -5.248 -5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.567 -3.728 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.561 -4.218 -6.817 1.00 0.00 H new ATOM 403 N TYR A 24 -3.998 -2.969 -8.953 1.00 0.00 N ATOM 404 CA TYR A 24 -2.946 -2.237 -9.637 1.00 0.00 C ATOM 405 C TYR A 24 -2.655 -0.906 -8.959 1.00 0.00 C ATOM 406 O TYR A 24 -3.456 0.027 -9.016 1.00 0.00 O ATOM 407 CB TYR A 24 -3.286 -2.016 -11.107 1.00 0.00 C ATOM 408 CG TYR A 24 -2.061 -2.062 -11.986 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.923 -1.338 -11.649 1.00 0.00 C ATOM 410 CD2 TYR A 24 -2.027 -2.837 -13.137 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.210 -1.383 -12.432 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.896 -2.886 -13.928 1.00 0.00 C ATOM 413 CZ TYR A 24 0.221 -2.158 -13.571 1.00 0.00 C ATOM 414 OH TYR A 24 1.350 -2.207 -14.358 1.00 0.00 O ATOM 0 H TYR A 24 -4.881 -3.027 -9.460 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.047 -2.850 -9.580 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.994 -2.777 -11.433 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.779 -1.051 -11.223 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.927 -0.729 -10.757 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.898 -3.410 -13.418 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.085 -0.814 -12.154 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.886 -3.491 -14.822 1.00 0.00 H new ATOM 0 HH TYR A 24 2.135 -2.369 -13.794 1.00 0.00 H new ATOM 424 N VAL A 25 -1.490 -0.831 -8.329 1.00 0.00 N ATOM 425 CA VAL A 25 -1.060 0.377 -7.644 1.00 0.00 C ATOM 426 C VAL A 25 0.130 0.997 -8.364 1.00 0.00 C ATOM 427 O VAL A 25 1.067 0.295 -8.746 1.00 0.00 O ATOM 428 CB VAL A 25 -0.662 0.092 -6.183 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.467 1.390 -5.417 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.704 -0.786 -5.506 1.00 0.00 C ATOM 0 H VAL A 25 -0.822 -1.600 -8.279 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.904 1.067 -7.649 1.00 0.00 H new ATOM 0 HB VAL A 25 0.286 -0.446 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.186 1.166 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.322 1.976 -5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.396 1.960 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.405 -0.976 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.669 -0.279 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.785 -1.732 -6.041 1.00 0.00 H new ATOM 440 N ILE A 26 0.093 2.309 -8.546 1.00 0.00 N ATOM 441 CA ILE A 26 1.177 3.007 -9.221 1.00 0.00 C ATOM 442 C ILE A 26 1.461 4.345 -8.548 1.00 0.00 C ATOM 443 O ILE A 26 0.618 5.241 -8.546 1.00 0.00 O ATOM 444 CB ILE A 26 0.858 3.235 -10.714 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.148 2.012 -11.299 1.00 0.00 C ATOM 446 CG2 ILE A 26 2.132 3.530 -11.495 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.337 2.216 -12.718 1.00 0.00 C ATOM 0 H ILE A 26 -0.672 2.909 -8.237 1.00 0.00 H new ATOM 0 HA ILE A 26 2.062 2.375 -9.149 1.00 0.00 H new ATOM 0 HB ILE A 26 0.195 4.097 -10.797 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.829 1.161 -11.275 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.702 1.758 -10.666 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.887 3.688 -12.545 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.605 4.426 -11.094 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.817 2.687 -11.405 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.830 1.309 -13.068 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.043 3.046 -12.746 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.512 2.440 -13.364 1.00 0.00 H new ATOM 459 N VAL A 27 2.650 4.465 -7.970 1.00 0.00 N ATOM 460 CA VAL A 27 3.046 5.686 -7.283 1.00 0.00 C ATOM 461 C VAL A 27 3.653 6.692 -8.253 1.00 0.00 C ATOM 462 O VAL A 27 4.796 6.545 -8.684 1.00 0.00 O ATOM 463 CB VAL A 27 4.065 5.394 -6.163 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.338 6.649 -5.347 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.570 4.266 -5.270 1.00 0.00 C ATOM 0 H VAL A 27 3.357 3.730 -7.964 1.00 0.00 H new ATOM 0 HA VAL A 27 2.142 6.108 -6.844 1.00 0.00 H new ATOM 0 HB VAL A 27 5.001 5.078 -6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.059 6.423 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.741 7.425 -5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.409 6.999 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.303 4.075 -4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.620 4.550 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.432 3.364 -5.866 1.00 0.00 H new ATOM 475 N SER A 28 2.879 7.718 -8.588 1.00 0.00 N ATOM 476 CA SER A 28 3.338 8.756 -9.501 1.00 0.00 C ATOM 477 C SER A 28 4.018 9.883 -8.734 1.00 0.00 C ATOM 478 O SER A 28 3.795 10.056 -7.536 1.00 0.00 O ATOM 479 CB SER A 28 2.164 9.310 -10.311 1.00 0.00 C ATOM 480 OG SER A 28 2.546 10.463 -11.042 1.00 0.00 O ATOM 0 H SER A 28 1.930 7.853 -8.240 1.00 0.00 H new ATOM 0 HA SER A 28 4.062 8.313 -10.185 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.799 8.546 -10.997 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.340 9.557 -9.641 1.00 0.00 H new ATOM 0 HG SER A 28 1.778 10.796 -11.552 1.00 0.00 H new ATOM 486 N SER A 29 4.854 10.647 -9.430 1.00 0.00 N ATOM 487 CA SER A 29 5.570 11.758 -8.814 1.00 0.00 C ATOM 488 C SER A 29 4.616 12.696 -8.079 1.00 0.00 C ATOM 489 O SER A 29 3.813 13.394 -8.699 1.00 0.00 O ATOM 490 CB SER A 29 6.351 12.538 -9.874 1.00 0.00 C ATOM 491 OG SER A 29 6.977 11.662 -10.794 1.00 0.00 O ATOM 0 H SER A 29 5.052 10.517 -10.422 1.00 0.00 H new ATOM 0 HA SER A 29 6.266 11.342 -8.086 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.677 13.208 -10.407 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.104 13.161 -9.391 1.00 0.00 H new ATOM 0 HG SER A 29 7.468 12.185 -11.462 1.00 0.00 H new ATOM 497 N LYS A 30 4.713 12.708 -6.752 1.00 0.00 N ATOM 498 CA LYS A 30 3.865 13.562 -5.926 1.00 0.00 C ATOM 499 C LYS A 30 2.390 13.210 -6.098 1.00 0.00 C ATOM 500 O LYS A 30 1.527 14.089 -6.075 1.00 0.00 O ATOM 501 CB LYS A 30 4.093 15.034 -6.279 1.00 0.00 C ATOM 502 CG LYS A 30 5.311 15.642 -5.599 1.00 0.00 C ATOM 503 CD LYS A 30 4.961 16.929 -4.864 1.00 0.00 C ATOM 504 CE LYS A 30 5.915 18.056 -5.224 1.00 0.00 C ATOM 505 NZ LYS A 30 5.393 19.383 -4.798 1.00 0.00 N ATOM 0 H LYS A 30 5.372 12.135 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 30 4.136 13.395 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.206 15.127 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.208 15.607 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.731 14.924 -4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.080 15.846 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.941 17.223 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.992 16.755 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.882 17.878 -4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.082 18.060 -6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.073 20.124 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.483 19.565 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.258 19.388 -3.767 1.00 0.00 H new ATOM 519 N LYS A 31 2.103 11.922 -6.266 1.00 0.00 N ATOM 520 CA LYS A 31 0.727 11.465 -6.436 1.00 0.00 C ATOM 521 C LYS A 31 0.663 9.945 -6.551 1.00 0.00 C ATOM 522 O LYS A 31 1.412 9.338 -7.314 1.00 0.00 O ATOM 523 CB LYS A 31 0.105 12.107 -7.678 1.00 0.00 C ATOM 524 CG LYS A 31 -1.338 11.698 -7.917 1.00 0.00 C ATOM 525 CD LYS A 31 -2.295 12.490 -7.040 1.00 0.00 C ATOM 526 CE LYS A 31 -2.857 13.696 -7.777 1.00 0.00 C ATOM 527 NZ LYS A 31 -4.086 13.355 -8.545 1.00 0.00 N ATOM 0 H LYS A 31 2.802 11.179 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 31 0.162 11.767 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.155 13.191 -7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.699 11.839 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.592 11.852 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.454 10.633 -7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.113 11.846 -6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.776 12.821 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.084 14.486 -7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.102 14.090 -8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.437 14.204 -9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.864 12.620 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.816 13.003 -7.893 1.00 0.00 H new ATOM 541 N ILE A 32 -0.248 9.341 -5.795 1.00 0.00 N ATOM 542 CA ILE A 32 -0.426 7.893 -5.813 1.00 0.00 C ATOM 543 C ILE A 32 -1.730 7.531 -6.512 1.00 0.00 C ATOM 544 O ILE A 32 -2.761 8.161 -6.278 1.00 0.00 O ATOM 545 CB ILE A 32 -0.439 7.305 -4.387 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.640 7.964 -3.524 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.235 5.799 -4.433 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.681 7.443 -2.103 1.00 0.00 C ATOM 0 H ILE A 32 -0.876 9.833 -5.160 1.00 0.00 H new ATOM 0 HA ILE A 32 0.418 7.468 -6.356 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.411 7.510 -3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.613 7.805 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.469 9.040 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.247 5.399 -3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.036 5.341 -5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.724 5.576 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.469 7.955 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.279 7.627 -1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.882 6.372 -2.114 1.00 0.00 H new ATOM 560 N LEU A 33 -1.681 6.524 -7.378 1.00 0.00 N ATOM 561 CA LEU A 33 -2.868 6.097 -8.111 1.00 0.00 C ATOM 562 C LEU A 33 -3.211 4.643 -7.810 1.00 0.00 C ATOM 563 O LEU A 33 -2.328 3.798 -7.676 1.00 0.00 O ATOM 564 CB LEU A 33 -2.656 6.281 -9.614 1.00 0.00 C ATOM 565 CG LEU A 33 -2.259 7.697 -10.043 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.768 7.768 -10.337 1.00 0.00 C ATOM 567 CD2 LEU A 33 -3.065 8.134 -11.257 1.00 0.00 C ATOM 0 H LEU A 33 -0.837 5.991 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.703 6.718 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.883 5.587 -9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.574 6.005 -10.132 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.480 8.379 -9.222 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.505 8.781 -10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.207 7.500 -9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.522 7.074 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.769 9.142 -11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.878 7.449 -12.084 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.127 8.124 -11.011 1.00 0.00 H new ATOM 579 N PHE A 34 -4.508 4.363 -7.707 1.00 0.00 N ATOM 580 CA PHE A 34 -4.979 3.014 -7.426 1.00 0.00 C ATOM 581 C PHE A 34 -6.016 2.580 -8.455 1.00 0.00 C ATOM 582 O PHE A 34 -6.993 3.286 -8.703 1.00 0.00 O ATOM 583 CB PHE A 34 -5.577 2.940 -6.020 1.00 0.00 C ATOM 584 CG PHE A 34 -4.993 1.848 -5.172 1.00 0.00 C ATOM 585 CD1 PHE A 34 -3.844 2.069 -4.430 1.00 0.00 C ATOM 586 CD2 PHE A 34 -5.591 0.599 -5.119 1.00 0.00 C ATOM 587 CE1 PHE A 34 -3.304 1.065 -3.647 1.00 0.00 C ATOM 588 CE2 PHE A 34 -5.056 -0.407 -4.338 1.00 0.00 C ATOM 589 CZ PHE A 34 -3.912 -0.174 -3.601 1.00 0.00 C ATOM 0 H PHE A 34 -5.250 5.055 -7.814 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.126 2.338 -7.484 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.426 3.897 -5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.654 2.789 -6.100 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.365 3.036 -4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.485 0.410 -5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.408 1.250 -3.073 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.533 -1.376 -4.304 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.493 -0.960 -2.989 1.00 0.00 H new ATOM 599 N TYR A 35 -5.792 1.415 -9.047 1.00 0.00 N ATOM 600 CA TYR A 35 -6.704 0.878 -10.052 1.00 0.00 C ATOM 601 C TYR A 35 -7.140 -0.537 -9.688 1.00 0.00 C ATOM 602 O TYR A 35 -6.685 -1.100 -8.693 1.00 0.00 O ATOM 603 CB TYR A 35 -6.037 0.878 -11.429 1.00 0.00 C ATOM 604 CG TYR A 35 -5.812 2.259 -12.000 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.750 3.044 -11.572 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.661 2.778 -12.969 1.00 0.00 C ATOM 607 CE1 TYR A 35 -4.540 4.307 -12.093 1.00 0.00 C ATOM 608 CE2 TYR A 35 -6.458 4.039 -13.496 1.00 0.00 C ATOM 609 CZ TYR A 35 -5.396 4.800 -13.055 1.00 0.00 C ATOM 610 OH TYR A 35 -5.191 6.056 -13.576 1.00 0.00 O ATOM 0 H TYR A 35 -4.986 0.822 -8.850 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.587 1.516 -10.083 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.078 0.364 -11.358 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.655 0.305 -12.121 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.077 2.661 -10.819 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.494 2.186 -13.317 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.709 4.905 -11.748 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.128 4.427 -14.249 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.882 6.250 -14.243 1.00 0.00 H new ATOM 620 N ASP A 36 -8.021 -1.106 -10.501 1.00 0.00 N ATOM 621 CA ASP A 36 -8.519 -2.457 -10.267 1.00 0.00 C ATOM 622 C ASP A 36 -8.068 -3.410 -11.372 1.00 0.00 C ATOM 623 O ASP A 36 -8.021 -4.625 -11.172 1.00 0.00 O ATOM 624 CB ASP A 36 -10.045 -2.452 -10.172 1.00 0.00 C ATOM 625 CG ASP A 36 -10.579 -3.639 -9.395 1.00 0.00 C ATOM 626 OD1 ASP A 36 -10.169 -4.780 -9.698 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.409 -3.430 -8.486 1.00 0.00 O ATOM 0 H ASP A 36 -8.406 -0.653 -11.330 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.104 -2.808 -9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.374 -1.530 -9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.469 -2.458 -11.176 1.00 0.00 H new ATOM 632 N SER A 37 -7.741 -2.858 -12.536 1.00 0.00 N ATOM 633 CA SER A 37 -7.299 -3.667 -13.665 1.00 0.00 C ATOM 634 C SER A 37 -6.464 -2.838 -14.636 1.00 0.00 C ATOM 635 O SER A 37 -6.412 -1.613 -14.538 1.00 0.00 O ATOM 636 CB SER A 37 -8.504 -4.264 -14.394 1.00 0.00 C ATOM 637 OG SER A 37 -9.416 -4.846 -13.479 1.00 0.00 O ATOM 0 H SER A 37 -7.774 -1.856 -12.722 1.00 0.00 H new ATOM 0 HA SER A 37 -6.678 -4.475 -13.279 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.007 -3.487 -14.969 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.166 -5.018 -15.105 1.00 0.00 H new ATOM 0 HG SER A 37 -10.178 -5.219 -13.969 1.00 0.00 H new ATOM 643 N GLU A 38 -5.810 -3.517 -15.575 1.00 0.00 N ATOM 644 CA GLU A 38 -4.977 -2.845 -16.564 1.00 0.00 C ATOM 645 C GLU A 38 -5.834 -2.169 -17.630 1.00 0.00 C ATOM 646 O GLU A 38 -5.487 -1.102 -18.134 1.00 0.00 O ATOM 647 CB GLU A 38 -4.022 -3.845 -17.219 1.00 0.00 C ATOM 648 CG GLU A 38 -2.670 -3.934 -16.529 1.00 0.00 C ATOM 649 CD GLU A 38 -1.549 -3.339 -17.361 1.00 0.00 C ATOM 650 OE1 GLU A 38 -1.401 -2.099 -17.356 1.00 0.00 O ATOM 651 OE2 GLU A 38 -0.821 -4.115 -18.017 1.00 0.00 O ATOM 0 H GLU A 38 -5.842 -4.532 -15.670 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.396 -2.078 -16.052 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.486 -4.831 -17.220 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.871 -3.562 -18.261 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.720 -3.416 -15.571 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.444 -4.979 -16.315 1.00 0.00 H new ATOM 658 N GLN A 39 -6.955 -2.799 -17.967 1.00 0.00 N ATOM 659 CA GLN A 39 -7.862 -2.257 -18.972 1.00 0.00 C ATOM 660 C GLN A 39 -8.379 -0.884 -18.557 1.00 0.00 C ATOM 661 O GLN A 39 -8.499 0.021 -19.382 1.00 0.00 O ATOM 662 CB GLN A 39 -9.035 -3.211 -19.198 1.00 0.00 C ATOM 663 CG GLN A 39 -9.815 -3.526 -17.931 1.00 0.00 C ATOM 664 CD GLN A 39 -10.381 -4.934 -17.931 1.00 0.00 C ATOM 665 OE1 GLN A 39 -11.592 -5.127 -17.830 1.00 0.00 O ATOM 666 NE2 GLN A 39 -9.504 -5.924 -18.042 1.00 0.00 N ATOM 0 H GLN A 39 -7.257 -3.684 -17.559 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.307 -2.148 -19.904 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.712 -2.774 -19.932 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.659 -4.141 -19.624 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.163 -3.400 -17.066 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.630 -2.810 -17.823 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.509 -5.717 -18.123 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.825 -6.892 -18.046 1.00 0.00 H new ATOM 675 N ASP A 40 -8.686 -0.737 -17.272 1.00 0.00 N ATOM 676 CA ASP A 40 -9.189 0.526 -16.746 1.00 0.00 C ATOM 677 C ASP A 40 -8.070 1.558 -16.650 1.00 0.00 C ATOM 678 O ASP A 40 -8.303 2.758 -16.797 1.00 0.00 O ATOM 679 CB ASP A 40 -9.825 0.315 -15.371 1.00 0.00 C ATOM 680 CG ASP A 40 -11.331 0.158 -15.450 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.807 -0.547 -16.364 1.00 0.00 O ATOM 682 OD2 ASP A 40 -12.032 0.738 -14.596 1.00 0.00 O ATOM 0 H ASP A 40 -8.595 -1.477 -16.576 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.947 0.901 -17.433 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.394 -0.572 -14.906 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.584 1.161 -14.728 1.00 0.00 H new ATOM 687 N LYS A 41 -6.853 1.084 -16.403 1.00 0.00 N ATOM 688 CA LYS A 41 -5.697 1.965 -16.288 1.00 0.00 C ATOM 689 C LYS A 41 -5.444 2.701 -17.598 1.00 0.00 C ATOM 690 O LYS A 41 -5.308 3.926 -17.617 1.00 0.00 O ATOM 691 CB LYS A 41 -4.457 1.163 -15.891 1.00 0.00 C ATOM 692 CG LYS A 41 -3.491 1.935 -15.005 1.00 0.00 C ATOM 693 CD LYS A 41 -2.976 3.185 -15.701 1.00 0.00 C ATOM 694 CE LYS A 41 -1.967 3.925 -14.841 1.00 0.00 C ATOM 695 NZ LYS A 41 -1.688 5.292 -15.363 1.00 0.00 N ATOM 0 H LYS A 41 -6.642 0.094 -16.279 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.907 2.702 -15.513 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.771 0.258 -15.370 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.935 0.846 -16.794 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.990 2.213 -14.077 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.651 1.295 -14.736 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.515 2.911 -16.650 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.812 3.845 -15.932 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.343 3.996 -13.820 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.038 3.356 -14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.995 5.764 -14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.305 5.224 -16.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.569 5.844 -15.378 1.00 0.00 H new ATOM 709 N GLU A 42 -5.383 1.949 -18.693 1.00 0.00 N ATOM 710 CA GLU A 42 -5.147 2.533 -20.009 1.00 0.00 C ATOM 711 C GLU A 42 -6.255 3.516 -20.375 1.00 0.00 C ATOM 712 O GLU A 42 -6.035 4.453 -21.144 1.00 0.00 O ATOM 713 CB GLU A 42 -5.054 1.432 -21.067 1.00 0.00 C ATOM 714 CG GLU A 42 -4.179 0.260 -20.651 1.00 0.00 C ATOM 715 CD GLU A 42 -3.165 -0.117 -21.713 1.00 0.00 C ATOM 716 OE1 GLU A 42 -2.458 0.787 -22.207 1.00 0.00 O ATOM 717 OE2 GLU A 42 -3.079 -1.316 -22.052 1.00 0.00 O ATOM 0 H GLU A 42 -5.494 0.935 -18.695 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.203 3.076 -19.975 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.057 1.066 -21.287 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.661 1.859 -21.990 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.656 0.511 -19.728 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.811 -0.602 -20.435 1.00 0.00 H new ATOM 724 N GLN A 43 -7.443 3.297 -19.822 1.00 0.00 N ATOM 725 CA GLN A 43 -8.584 4.165 -20.093 1.00 0.00 C ATOM 726 C GLN A 43 -8.540 5.431 -19.236 1.00 0.00 C ATOM 727 O GLN A 43 -9.419 6.288 -19.339 1.00 0.00 O ATOM 728 CB GLN A 43 -9.892 3.414 -19.838 1.00 0.00 C ATOM 729 CG GLN A 43 -10.304 2.504 -20.985 1.00 0.00 C ATOM 730 CD GLN A 43 -11.655 2.873 -21.569 1.00 0.00 C ATOM 731 OE1 GLN A 43 -12.697 2.480 -21.045 1.00 0.00 O ATOM 732 NE2 GLN A 43 -11.642 3.631 -22.659 1.00 0.00 N ATOM 0 H GLN A 43 -7.641 2.526 -19.184 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.533 4.461 -21.141 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.788 2.818 -18.931 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.687 4.137 -19.655 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.549 2.550 -21.770 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.334 1.473 -20.633 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.754 3.934 -23.059 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.520 3.911 -23.096 1.00 0.00 H new ATOM 741 N SER A 44 -7.514 5.548 -18.393 1.00 0.00 N ATOM 742 CA SER A 44 -7.368 6.713 -17.528 1.00 0.00 C ATOM 743 C SER A 44 -8.522 6.801 -16.533 1.00 0.00 C ATOM 744 O SER A 44 -9.091 7.872 -16.319 1.00 0.00 O ATOM 745 CB SER A 44 -7.297 7.993 -18.363 1.00 0.00 C ATOM 746 OG SER A 44 -6.260 7.917 -19.327 1.00 0.00 O ATOM 0 H SER A 44 -6.775 4.852 -18.293 1.00 0.00 H new ATOM 0 HA SER A 44 -6.439 6.603 -16.969 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.251 8.158 -18.863 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.128 8.849 -17.709 1.00 0.00 H new ATOM 0 HG SER A 44 -6.237 8.746 -19.849 1.00 0.00 H new ATOM 752 N ASN A 45 -8.862 5.668 -15.927 1.00 0.00 N ATOM 753 CA ASN A 45 -9.947 5.616 -14.954 1.00 0.00 C ATOM 754 C ASN A 45 -9.437 5.130 -13.599 1.00 0.00 C ATOM 755 O ASN A 45 -9.534 3.946 -13.277 1.00 0.00 O ATOM 756 CB ASN A 45 -11.066 4.698 -15.458 1.00 0.00 C ATOM 757 CG ASN A 45 -12.415 5.391 -15.475 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.289 5.093 -14.660 1.00 0.00 O ATOM 759 ND2 ASN A 45 -12.593 6.317 -16.409 1.00 0.00 N ATOM 0 H ASN A 45 -8.401 4.773 -16.093 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.344 6.623 -14.830 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.825 4.353 -16.463 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.122 3.814 -14.822 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.482 6.814 -16.472 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.841 6.532 -17.064 1.00 0.00 H new ATOM 766 N PRO A 46 -8.879 6.044 -12.784 1.00 0.00 N ATOM 767 CA PRO A 46 -8.349 5.704 -11.460 1.00 0.00 C ATOM 768 C PRO A 46 -9.453 5.426 -10.445 1.00 0.00 C ATOM 769 O PRO A 46 -10.491 6.088 -10.443 1.00 0.00 O ATOM 770 CB PRO A 46 -7.563 6.954 -11.066 1.00 0.00 C ATOM 771 CG PRO A 46 -8.232 8.066 -11.796 1.00 0.00 C ATOM 772 CD PRO A 46 -8.719 7.478 -13.093 1.00 0.00 C ATOM 0 HA PRO A 46 -7.750 4.794 -11.481 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.589 7.115 -9.988 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.514 6.868 -11.350 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.061 8.471 -11.215 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.538 8.887 -11.976 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.660 7.928 -13.409 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.003 7.637 -13.899 1.00 0.00 H new ATOM 780 N TYR A 47 -9.218 4.444 -9.581 1.00 0.00 N ATOM 781 CA TYR A 47 -10.186 4.078 -8.555 1.00 0.00 C ATOM 782 C TYR A 47 -10.010 4.948 -7.314 1.00 0.00 C ATOM 783 O TYR A 47 -10.987 5.396 -6.714 1.00 0.00 O ATOM 784 CB TYR A 47 -10.032 2.601 -8.186 1.00 0.00 C ATOM 785 CG TYR A 47 -11.002 2.133 -7.124 1.00 0.00 C ATOM 786 CD1 TYR A 47 -10.699 2.263 -5.775 1.00 0.00 C ATOM 787 CD2 TYR A 47 -12.219 1.561 -7.473 1.00 0.00 C ATOM 788 CE1 TYR A 47 -11.583 1.837 -4.801 1.00 0.00 C ATOM 789 CE2 TYR A 47 -13.108 1.134 -6.505 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.785 1.273 -5.172 1.00 0.00 C ATOM 791 OH TYR A 47 -13.668 0.846 -4.206 1.00 0.00 O ATOM 0 H TYR A 47 -8.364 3.887 -9.572 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.187 4.242 -8.954 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.169 1.996 -9.082 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.014 2.427 -7.837 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.758 2.704 -5.482 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.474 1.448 -8.516 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.333 1.945 -3.756 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.052 0.693 -6.791 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.467 0.474 -4.635 1.00 0.00 H new ATOM 801 N MET A 48 -8.758 5.181 -6.938 1.00 0.00 N ATOM 802 CA MET A 48 -8.448 5.998 -5.769 1.00 0.00 C ATOM 803 C MET A 48 -7.022 6.532 -5.847 1.00 0.00 C ATOM 804 O MET A 48 -6.112 5.834 -6.293 1.00 0.00 O ATOM 805 CB MET A 48 -8.632 5.183 -4.488 1.00 0.00 C ATOM 806 CG MET A 48 -8.457 6.000 -3.218 1.00 0.00 C ATOM 807 SD MET A 48 -8.172 4.972 -1.764 1.00 0.00 S ATOM 808 CE MET A 48 -6.411 4.682 -1.893 1.00 0.00 C ATOM 0 H MET A 48 -7.940 4.816 -7.426 1.00 0.00 H new ATOM 0 HA MET A 48 -9.135 6.844 -5.752 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.627 4.738 -4.490 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.916 4.362 -4.484 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.618 6.685 -3.344 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.346 6.610 -3.058 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.960 4.732 -0.902 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.235 3.696 -2.322 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.963 5.441 -2.534 1.00 0.00 H new ATOM 818 N VAL A 49 -6.833 7.774 -5.411 1.00 0.00 N ATOM 819 CA VAL A 49 -5.518 8.397 -5.436 1.00 0.00 C ATOM 820 C VAL A 49 -5.139 8.946 -4.066 1.00 0.00 C ATOM 821 O VAL A 49 -5.979 9.492 -3.350 1.00 0.00 O ATOM 822 CB VAL A 49 -5.459 9.539 -6.466 1.00 0.00 C ATOM 823 CG1 VAL A 49 -5.363 8.986 -7.881 1.00 0.00 C ATOM 824 CG2 VAL A 49 -6.666 10.453 -6.320 1.00 0.00 C ATOM 0 H VAL A 49 -7.574 8.366 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.808 7.620 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.562 10.128 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.323 9.811 -8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.461 8.381 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.237 8.369 -8.091 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.607 11.254 -7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.579 9.879 -6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.679 10.882 -5.318 1.00 0.00 H new ATOM 834 N LEU A 50 -3.867 8.803 -3.711 1.00 0.00 N ATOM 835 CA LEU A 50 -3.369 9.290 -2.430 1.00 0.00 C ATOM 836 C LEU A 50 -2.270 10.326 -2.637 1.00 0.00 C ATOM 837 O LEU A 50 -1.543 10.285 -3.628 1.00 0.00 O ATOM 838 CB LEU A 50 -2.839 8.128 -1.587 1.00 0.00 C ATOM 839 CG LEU A 50 -3.796 6.943 -1.440 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.087 5.638 -1.767 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.379 6.898 -0.036 1.00 0.00 C ATOM 0 H LEU A 50 -3.161 8.353 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.197 9.762 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.910 7.772 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.594 8.503 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.615 7.074 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.784 4.808 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.721 5.670 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.247 5.500 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.057 6.049 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.572 6.793 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.926 7.820 0.161 1.00 0.00 H new ATOM 853 N ASP A 51 -2.154 11.255 -1.695 1.00 0.00 N ATOM 854 CA ASP A 51 -1.142 12.301 -1.777 1.00 0.00 C ATOM 855 C ASP A 51 0.142 11.875 -1.073 1.00 0.00 C ATOM 856 O ASP A 51 0.167 11.707 0.147 1.00 0.00 O ATOM 857 CB ASP A 51 -1.668 13.599 -1.160 1.00 0.00 C ATOM 858 CG ASP A 51 -2.460 14.431 -2.152 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.688 14.223 -2.252 1.00 0.00 O ATOM 860 OD2 ASP A 51 -1.853 15.289 -2.826 1.00 0.00 O ATOM 0 H ASP A 51 -2.747 11.305 -0.867 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.918 12.471 -2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.299 13.362 -0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.830 14.186 -0.785 1.00 0.00 H new ATOM 865 N ILE A 52 1.206 11.704 -1.849 1.00 0.00 N ATOM 866 CA ILE A 52 2.496 11.298 -1.302 1.00 0.00 C ATOM 867 C ILE A 52 2.983 12.296 -0.255 1.00 0.00 C ATOM 868 O ILE A 52 3.633 11.922 0.721 1.00 0.00 O ATOM 869 CB ILE A 52 3.562 11.167 -2.408 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.078 10.206 -3.498 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.884 10.691 -1.823 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.101 9.960 -4.587 1.00 0.00 C ATOM 0 H ILE A 52 1.201 11.840 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 52 2.351 10.324 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 52 3.721 12.148 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.812 9.254 -3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.170 10.608 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.624 10.605 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.232 11.408 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.744 9.719 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.689 9.270 -5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.350 10.904 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.001 9.529 -4.150 1.00 0.00 H new ATOM 884 N ASP A 53 2.664 13.569 -0.466 1.00 0.00 N ATOM 885 CA ASP A 53 3.068 14.621 0.458 1.00 0.00 C ATOM 886 C ASP A 53 2.214 14.589 1.724 1.00 0.00 C ATOM 887 O ASP A 53 2.661 14.998 2.796 1.00 0.00 O ATOM 888 CB ASP A 53 2.957 15.988 -0.220 1.00 0.00 C ATOM 889 CG ASP A 53 3.324 17.132 0.707 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.649 17.295 1.746 1.00 0.00 O ATOM 891 OD2 ASP A 53 4.287 17.862 0.396 1.00 0.00 O ATOM 0 H ASP A 53 2.127 13.896 -1.269 1.00 0.00 H new ATOM 0 HA ASP A 53 4.106 14.449 0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.609 16.010 -1.093 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.938 16.129 -0.579 1.00 0.00 H new ATOM 896 N LYS A 54 0.984 14.103 1.592 1.00 0.00 N ATOM 897 CA LYS A 54 0.069 14.018 2.724 1.00 0.00 C ATOM 898 C LYS A 54 0.454 12.876 3.661 1.00 0.00 C ATOM 899 O LYS A 54 0.093 12.879 4.837 1.00 0.00 O ATOM 900 CB LYS A 54 -1.367 13.830 2.234 1.00 0.00 C ATOM 901 CG LYS A 54 -2.023 15.118 1.764 1.00 0.00 C ATOM 902 CD LYS A 54 -3.525 15.093 1.997 1.00 0.00 C ATOM 903 CE LYS A 54 -4.082 16.494 2.188 1.00 0.00 C ATOM 904 NZ LYS A 54 -4.279 17.196 0.889 1.00 0.00 N ATOM 0 H LYS A 54 0.598 13.762 0.712 1.00 0.00 H new ATOM 0 HA LYS A 54 0.137 14.953 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.371 13.110 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.964 13.401 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.585 15.965 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.820 15.265 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.018 14.617 1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.748 14.489 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.033 16.437 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.402 17.073 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.660 18.148 1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.367 17.273 0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.947 16.658 0.301 1.00 0.00 H new ATOM 918 N LEU A 55 1.186 11.897 3.133 1.00 0.00 N ATOM 919 CA LEU A 55 1.615 10.748 3.927 1.00 0.00 C ATOM 920 C LEU A 55 2.310 11.199 5.209 1.00 0.00 C ATOM 921 O LEU A 55 2.954 12.247 5.241 1.00 0.00 O ATOM 922 CB LEU A 55 2.557 9.857 3.116 1.00 0.00 C ATOM 923 CG LEU A 55 2.069 9.500 1.710 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.018 8.507 1.051 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.656 8.934 1.763 1.00 0.00 C ATOM 0 H LEU A 55 1.494 11.876 2.161 1.00 0.00 H new ATOM 0 HA LEU A 55 0.726 10.177 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.522 10.358 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.724 8.933 3.670 1.00 0.00 H new ATOM 0 HG LEU A 55 2.053 10.410 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.655 8.265 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.013 8.947 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.066 7.598 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.325 8.686 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.647 8.035 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.017 9.676 2.193 1.00 0.00 H new ATOM 937 N PHE A 56 2.176 10.398 6.260 1.00 0.00 N ATOM 938 CA PHE A 56 2.792 10.715 7.543 1.00 0.00 C ATOM 939 C PHE A 56 3.994 9.814 7.805 1.00 0.00 C ATOM 940 O PHE A 56 4.973 10.233 8.424 1.00 0.00 O ATOM 941 CB PHE A 56 1.773 10.568 8.673 1.00 0.00 C ATOM 942 CG PHE A 56 0.812 11.718 8.769 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.250 12.974 9.156 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.531 11.543 8.470 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.367 14.034 9.245 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.417 12.599 8.558 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.967 13.846 8.945 1.00 0.00 C ATOM 0 H PHE A 56 1.647 9.526 6.249 1.00 0.00 H new ATOM 0 HA PHE A 56 3.136 11.749 7.507 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.210 9.646 8.526 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.304 10.469 9.620 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.293 13.127 9.391 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.888 10.570 8.165 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.721 15.008 9.549 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.461 12.450 8.324 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.658 14.673 9.013 1.00 0.00 H new ATOM 957 N HIS A 57 3.915 8.574 7.332 1.00 0.00 N ATOM 958 CA HIS A 57 5.000 7.618 7.521 1.00 0.00 C ATOM 959 C HIS A 57 4.697 6.296 6.820 1.00 0.00 C ATOM 960 O HIS A 57 3.558 5.829 6.816 1.00 0.00 O ATOM 961 CB HIS A 57 5.239 7.374 9.011 1.00 0.00 C ATOM 962 CG HIS A 57 6.688 7.281 9.379 1.00 0.00 C ATOM 963 ND1 HIS A 57 7.653 8.115 8.855 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.336 6.443 10.224 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.832 7.796 9.362 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.665 6.785 10.195 1.00 0.00 N ATOM 0 H HIS A 57 3.114 8.209 6.817 1.00 0.00 H new ATOM 0 HA HIS A 57 5.901 8.042 7.078 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.779 8.181 9.581 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.738 6.451 9.304 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.890 5.653 10.811 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.770 8.279 9.134 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.405 6.331 10.731 1.00 0.00 H new ATOM 975 N VAL A 58 5.730 5.699 6.234 1.00 0.00 N ATOM 976 CA VAL A 58 5.588 4.427 5.535 1.00 0.00 C ATOM 977 C VAL A 58 6.591 3.408 6.063 1.00 0.00 C ATOM 978 O VAL A 58 7.801 3.600 5.947 1.00 0.00 O ATOM 979 CB VAL A 58 5.795 4.596 4.016 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.507 3.292 3.284 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.926 5.725 3.481 1.00 0.00 C ATOM 0 H VAL A 58 6.677 6.077 6.230 1.00 0.00 H new ATOM 0 HA VAL A 58 4.574 4.070 5.716 1.00 0.00 H new ATOM 0 HB VAL A 58 6.838 4.857 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.659 3.434 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.180 2.515 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.475 2.992 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.085 5.830 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.877 5.498 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.192 6.657 3.980 1.00 0.00 H new ATOM 991 N ARG A 59 6.085 2.327 6.650 1.00 0.00 N ATOM 992 CA ARG A 59 6.953 1.290 7.201 1.00 0.00 C ATOM 993 C ARG A 59 6.276 -0.079 7.158 1.00 0.00 C ATOM 994 O ARG A 59 5.051 -0.175 7.092 1.00 0.00 O ATOM 995 CB ARG A 59 7.336 1.634 8.642 1.00 0.00 C ATOM 996 CG ARG A 59 8.370 2.743 8.750 1.00 0.00 C ATOM 997 CD ARG A 59 8.559 3.190 10.190 1.00 0.00 C ATOM 998 NE ARG A 59 9.768 2.623 10.787 1.00 0.00 N ATOM 999 CZ ARG A 59 10.347 3.101 11.886 1.00 0.00 C ATOM 1000 NH1 ARG A 59 9.832 4.152 12.511 1.00 0.00 N ATOM 1001 NH2 ARG A 59 11.444 2.526 12.360 1.00 0.00 N ATOM 0 H ARG A 59 5.087 2.147 6.756 1.00 0.00 H new ATOM 0 HA ARG A 59 7.853 1.245 6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.439 1.931 9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.723 0.739 9.129 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.322 2.395 8.348 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.059 3.593 8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.612 4.278 10.228 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.691 2.893 10.778 1.00 0.00 H new ATOM 0 HE ARG A 59 10.192 1.813 10.334 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.989 4.597 12.150 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.280 4.514 13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.843 1.718 11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.888 2.892 13.202 1.00 0.00 H new ATOM 1015 N PRO A 60 7.074 -1.161 7.195 1.00 0.00 N ATOM 1016 CA PRO A 60 6.554 -2.532 7.161 1.00 0.00 C ATOM 1017 C PRO A 60 5.752 -2.875 8.413 1.00 0.00 C ATOM 1018 O PRO A 60 5.799 -2.155 9.410 1.00 0.00 O ATOM 1019 CB PRO A 60 7.815 -3.396 7.083 1.00 0.00 C ATOM 1020 CG PRO A 60 8.897 -2.545 7.648 1.00 0.00 C ATOM 1021 CD PRO A 60 8.546 -1.133 7.273 1.00 0.00 C ATOM 0 HA PRO A 60 5.868 -2.685 6.328 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.699 -4.318 7.653 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.034 -3.683 6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.958 -2.658 8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.869 -2.827 7.242 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.896 -0.419 8.019 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.994 -0.846 6.322 1.00 0.00 H new ATOM 1029 N VAL A 61 5.019 -3.982 8.352 1.00 0.00 N ATOM 1030 CA VAL A 61 4.209 -4.422 9.483 1.00 0.00 C ATOM 1031 C VAL A 61 4.838 -5.628 10.173 1.00 0.00 C ATOM 1032 O VAL A 61 5.862 -6.146 9.729 1.00 0.00 O ATOM 1033 CB VAL A 61 2.774 -4.779 9.046 1.00 0.00 C ATOM 1034 CG1 VAL A 61 2.097 -3.577 8.406 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.777 -5.969 8.095 1.00 0.00 C ATOM 0 H VAL A 61 4.969 -4.589 7.534 1.00 0.00 H new ATOM 0 HA VAL A 61 4.166 -3.588 10.184 1.00 0.00 H new ATOM 0 HB VAL A 61 2.206 -5.059 9.933 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.085 -3.847 8.104 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.055 -2.758 9.124 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.665 -3.263 7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.754 -6.202 7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.363 -5.725 7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.217 -6.833 8.594 1.00 0.00 H new ATOM 1045 N THR A 62 4.217 -6.071 11.261 1.00 0.00 N ATOM 1046 CA THR A 62 4.716 -7.217 12.013 1.00 0.00 C ATOM 1047 C THR A 62 3.597 -8.218 12.280 1.00 0.00 C ATOM 1048 O THR A 62 2.483 -8.070 11.776 1.00 0.00 O ATOM 1049 CB THR A 62 5.331 -6.755 13.334 1.00 0.00 C ATOM 1050 OG1 THR A 62 4.346 -6.175 14.171 1.00 0.00 O ATOM 1051 CG2 THR A 62 6.438 -5.739 13.156 1.00 0.00 C ATOM 0 H THR A 62 3.368 -5.654 11.642 1.00 0.00 H new ATOM 0 HA THR A 62 5.484 -7.709 11.416 1.00 0.00 H new ATOM 0 HB THR A 62 5.753 -7.653 13.785 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.759 -5.887 15.012 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.830 -5.454 14.132 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.238 -6.174 12.556 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.044 -4.857 12.651 1.00 0.00 H new ATOM 1059 N GLN A 63 3.900 -9.237 13.076 1.00 0.00 N ATOM 1060 CA GLN A 63 2.919 -10.264 13.411 1.00 0.00 C ATOM 1061 C GLN A 63 1.770 -9.685 14.237 1.00 0.00 C ATOM 1062 O GLN A 63 0.727 -10.319 14.391 1.00 0.00 O ATOM 1063 CB GLN A 63 3.587 -11.406 14.180 1.00 0.00 C ATOM 1064 CG GLN A 63 2.741 -12.668 14.248 1.00 0.00 C ATOM 1065 CD GLN A 63 2.984 -13.596 13.075 1.00 0.00 C ATOM 1066 OE1 GLN A 63 4.066 -14.166 12.934 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.976 -13.753 12.226 1.00 0.00 N ATOM 0 H GLN A 63 4.817 -9.375 13.502 1.00 0.00 H new ATOM 0 HA GLN A 63 2.509 -10.650 12.478 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.541 -11.642 13.708 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.807 -11.071 15.193 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.958 -13.197 15.176 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.687 -12.393 14.277 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.096 -13.261 12.382 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.081 -14.366 11.418 1.00 0.00 H new ATOM 1076 N THR A 64 1.966 -8.481 14.768 1.00 0.00 N ATOM 1077 CA THR A 64 0.944 -7.826 15.575 1.00 0.00 C ATOM 1078 C THR A 64 -0.107 -7.157 14.694 1.00 0.00 C ATOM 1079 O THR A 64 -1.257 -6.990 15.100 1.00 0.00 O ATOM 1080 CB THR A 64 1.581 -6.791 16.501 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.968 -5.638 15.774 1.00 0.00 O ATOM 1082 CG2 THR A 64 2.806 -7.309 17.226 1.00 0.00 C ATOM 0 H THR A 64 2.823 -7.940 14.653 1.00 0.00 H new ATOM 0 HA THR A 64 0.452 -8.590 16.177 1.00 0.00 H new ATOM 0 HB THR A 64 0.815 -6.554 17.239 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.768 -5.838 15.244 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.209 -6.524 17.866 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.531 -8.170 17.836 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.561 -7.606 16.498 1.00 0.00 H new ATOM 1090 N ASP A 65 0.295 -6.772 13.486 1.00 0.00 N ATOM 1091 CA ASP A 65 -0.614 -6.118 12.551 1.00 0.00 C ATOM 1092 C ASP A 65 -1.735 -7.060 12.123 1.00 0.00 C ATOM 1093 O ASP A 65 -2.842 -6.621 11.812 1.00 0.00 O ATOM 1094 CB ASP A 65 0.154 -5.631 11.320 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.347 -4.290 10.819 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.487 -4.234 10.314 1.00 0.00 O ATOM 1097 OD2 ASP A 65 0.402 -3.296 10.935 1.00 0.00 O ATOM 0 H ASP A 65 1.243 -6.902 13.132 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.060 -5.263 13.059 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.213 -5.552 11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.065 -6.370 10.524 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.441 -8.356 12.110 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.425 -9.359 11.720 1.00 0.00 C ATOM 1104 C VAL A 66 -2.358 -10.575 12.637 1.00 0.00 C ATOM 1105 O VAL A 66 -1.564 -10.614 13.576 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.217 -9.816 10.262 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.856 -8.831 9.297 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.736 -9.990 9.957 1.00 0.00 C ATOM 0 H VAL A 66 -0.529 -8.736 12.365 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.406 -8.892 11.808 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.704 -10.783 10.134 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.699 -9.171 8.273 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.925 -8.767 9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.403 -7.848 9.427 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.613 -10.313 8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.220 -9.041 10.105 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.313 -10.741 10.624 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.199 -11.563 12.360 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.235 -12.782 13.160 1.00 0.00 C ATOM 1120 C TYR A 67 -3.516 -13.999 12.285 1.00 0.00 C ATOM 1121 O TYR A 67 -2.817 -15.008 12.365 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.296 -12.667 14.256 1.00 0.00 C ATOM 1123 CG TYR A 67 -5.652 -12.227 13.749 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -5.869 -10.921 13.333 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -6.714 -13.120 13.687 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.107 -10.514 12.871 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -7.955 -12.724 13.225 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.145 -11.419 12.819 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.379 -11.020 12.360 1.00 0.00 O ATOM 0 H TYR A 67 -3.865 -11.545 11.588 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.258 -12.911 13.625 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.399 -13.632 14.751 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.952 -11.958 15.009 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.057 -10.210 13.371 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.568 -14.142 14.005 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.260 -9.493 12.553 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.770 -13.431 13.182 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.999 -11.779 12.387 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.543 -13.894 11.448 1.00 0.00 N ATOM 1140 CA ARG A 68 -4.915 -14.985 10.555 1.00 0.00 C ATOM 1141 C ARG A 68 -3.915 -15.117 9.406 1.00 0.00 C ATOM 1142 O ARG A 68 -3.784 -16.183 8.804 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.324 -14.764 10.000 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.438 -13.549 9.090 1.00 0.00 C ATOM 1145 CD ARG A 68 -7.057 -12.361 9.813 1.00 0.00 C ATOM 1146 NE ARG A 68 -8.330 -11.961 9.217 1.00 0.00 N ATOM 1147 CZ ARG A 68 -9.509 -12.485 9.555 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -9.585 -13.429 10.485 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -10.614 -12.061 8.961 1.00 0.00 N ATOM 0 H ARG A 68 -5.132 -13.065 11.370 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.902 -15.910 11.131 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.631 -15.652 9.447 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.019 -14.651 10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.449 -13.276 8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.044 -13.802 8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.211 -12.615 10.862 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.364 -11.520 9.787 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.316 -11.237 8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.738 -13.759 10.947 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.491 -13.824 10.738 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.562 -11.335 8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.517 -12.460 9.218 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.215 -14.025 9.109 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.229 -14.017 8.034 1.00 0.00 C ATOM 1165 C ALA A 69 -1.161 -15.084 8.257 1.00 0.00 C ATOM 1166 O ALA A 69 -1.326 -15.978 9.088 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.590 -12.640 7.922 1.00 0.00 C ATOM 0 H ALA A 69 -3.313 -13.135 9.598 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.741 -14.248 7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.855 -12.644 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.359 -11.898 7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.097 -12.390 8.862 1.00 0.00 H new ATOM 1173 N ASP A 70 -0.065 -14.985 7.510 1.00 0.00 N ATOM 1174 CA ASP A 70 1.029 -15.942 7.625 1.00 0.00 C ATOM 1175 C ASP A 70 2.344 -15.229 7.919 1.00 0.00 C ATOM 1176 O ASP A 70 2.604 -14.147 7.394 1.00 0.00 O ATOM 1177 CB ASP A 70 1.153 -16.762 6.339 1.00 0.00 C ATOM 1178 CG ASP A 70 1.469 -18.220 6.612 1.00 0.00 C ATOM 1179 OD1 ASP A 70 0.815 -18.813 7.496 1.00 0.00 O ATOM 1180 OD2 ASP A 70 2.368 -18.768 5.942 1.00 0.00 O ATOM 0 H ASP A 70 0.088 -14.251 6.819 1.00 0.00 H new ATOM 0 HA ASP A 70 0.808 -16.614 8.455 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.222 -16.694 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.936 -16.334 5.713 1.00 0.00 H new ATOM 1185 N ALA A 71 3.170 -15.844 8.760 1.00 0.00 N ATOM 1186 CA ALA A 71 4.461 -15.269 9.127 1.00 0.00 C ATOM 1187 C ALA A 71 5.279 -14.903 7.891 1.00 0.00 C ATOM 1188 O ALA A 71 6.128 -14.013 7.940 1.00 0.00 O ATOM 1189 CB ALA A 71 5.236 -16.239 10.006 1.00 0.00 C ATOM 0 H ALA A 71 2.969 -16.741 9.201 1.00 0.00 H new ATOM 0 HA ALA A 71 4.274 -14.352 9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.197 -15.800 10.273 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.666 -16.444 10.912 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.401 -17.170 9.463 1.00 0.00 H new ATOM 1195 N LYS A 72 5.018 -15.594 6.786 1.00 0.00 N ATOM 1196 CA LYS A 72 5.731 -15.338 5.539 1.00 0.00 C ATOM 1197 C LYS A 72 5.205 -14.079 4.859 1.00 0.00 C ATOM 1198 O LYS A 72 5.942 -13.385 4.159 1.00 0.00 O ATOM 1199 CB LYS A 72 5.596 -16.537 4.597 1.00 0.00 C ATOM 1200 CG LYS A 72 6.391 -17.753 5.043 1.00 0.00 C ATOM 1201 CD LYS A 72 7.827 -17.691 4.550 1.00 0.00 C ATOM 1202 CE LYS A 72 8.794 -18.258 5.578 1.00 0.00 C ATOM 1203 NZ LYS A 72 9.877 -19.057 4.940 1.00 0.00 N ATOM 0 H LYS A 72 4.319 -16.335 6.728 1.00 0.00 H new ATOM 0 HA LYS A 72 6.784 -15.186 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.544 -16.810 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.925 -16.244 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.381 -17.816 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.915 -18.658 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.917 -18.249 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.093 -16.657 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.234 -17.442 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.248 -18.884 6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.515 -19.426 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.459 -19.851 4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.415 -18.453 4.286 1.00 0.00 H new ATOM 1217 N GLU A 73 3.923 -13.791 5.066 1.00 0.00 N ATOM 1218 CA GLU A 73 3.297 -12.617 4.470 1.00 0.00 C ATOM 1219 C GLU A 73 3.635 -11.352 5.256 1.00 0.00 C ATOM 1220 O GLU A 73 3.798 -10.278 4.679 1.00 0.00 O ATOM 1221 CB GLU A 73 1.779 -12.799 4.409 1.00 0.00 C ATOM 1222 CG GLU A 73 1.349 -14.158 3.882 1.00 0.00 C ATOM 1223 CD GLU A 73 1.485 -14.270 2.376 1.00 0.00 C ATOM 1224 OE1 GLU A 73 2.275 -13.496 1.793 1.00 0.00 O ATOM 1225 OE2 GLU A 73 0.804 -15.129 1.781 1.00 0.00 O ATOM 0 H GLU A 73 3.298 -14.355 5.642 1.00 0.00 H new ATOM 0 HA GLU A 73 3.688 -12.507 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.364 -12.658 5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.354 -12.022 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.950 -14.934 4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.312 -14.341 4.164 1.00 0.00 H new ATOM 1232 N ILE A 74 3.733 -11.487 6.576 1.00 0.00 N ATOM 1233 CA ILE A 74 4.046 -10.355 7.445 1.00 0.00 C ATOM 1234 C ILE A 74 5.207 -9.520 6.898 1.00 0.00 C ATOM 1235 O ILE A 74 5.084 -8.304 6.747 1.00 0.00 O ATOM 1236 CB ILE A 74 4.384 -10.813 8.879 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.307 -11.763 9.412 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.536 -9.611 9.798 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.898 -11.229 9.262 1.00 0.00 C ATOM 0 H ILE A 74 3.600 -12.370 7.068 1.00 0.00 H new ATOM 0 HA ILE A 74 3.149 -9.736 7.472 1.00 0.00 H new ATOM 0 HB ILE A 74 5.331 -11.351 8.853 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.383 -12.716 8.888 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.500 -11.963 10.466 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.774 -9.951 10.806 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.339 -8.972 9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.603 -9.047 9.817 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.189 -11.955 9.661 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.804 -10.291 9.810 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.685 -11.056 8.207 1.00 0.00 H new ATOM 1251 N PRO A 75 6.356 -10.155 6.594 1.00 0.00 N ATOM 1252 CA PRO A 75 7.528 -9.445 6.064 1.00 0.00 C ATOM 1253 C PRO A 75 7.285 -8.860 4.676 1.00 0.00 C ATOM 1254 O PRO A 75 8.075 -8.049 4.191 1.00 0.00 O ATOM 1255 CB PRO A 75 8.610 -10.528 6.005 1.00 0.00 C ATOM 1256 CG PRO A 75 7.860 -11.810 5.931 1.00 0.00 C ATOM 1257 CD PRO A 75 6.609 -11.602 6.735 1.00 0.00 C ATOM 0 HA PRO A 75 7.794 -8.590 6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.255 -10.396 5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.251 -10.495 6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.623 -12.065 4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.451 -12.632 6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.780 -12.195 6.350 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.748 -11.887 7.778 1.00 0.00 H new ATOM 1265 N ARG A 76 6.194 -9.273 4.037 1.00 0.00 N ATOM 1266 CA ARG A 76 5.863 -8.783 2.702 1.00 0.00 C ATOM 1267 C ARG A 76 4.694 -7.796 2.740 1.00 0.00 C ATOM 1268 O ARG A 76 4.187 -7.388 1.696 1.00 0.00 O ATOM 1269 CB ARG A 76 5.521 -9.953 1.778 1.00 0.00 C ATOM 1270 CG ARG A 76 6.491 -11.119 1.887 1.00 0.00 C ATOM 1271 CD ARG A 76 6.154 -12.218 0.893 1.00 0.00 C ATOM 1272 NE ARG A 76 5.408 -13.309 1.516 1.00 0.00 N ATOM 1273 CZ ARG A 76 4.941 -14.362 0.850 1.00 0.00 C ATOM 1274 NH1 ARG A 76 5.142 -14.473 -0.457 1.00 0.00 N ATOM 1275 NH2 ARG A 76 4.271 -15.310 1.494 1.00 0.00 N ATOM 0 H ARG A 76 5.527 -9.943 4.420 1.00 0.00 H new ATOM 0 HA ARG A 76 6.738 -8.259 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.515 -10.305 2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.506 -9.599 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.507 -10.766 1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.465 -11.522 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.568 -11.799 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.074 -12.609 0.459 1.00 0.00 H new ATOM 0 HE ARG A 76 5.235 -13.261 2.520 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.657 -13.749 -0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.781 -15.283 -0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.114 -15.231 2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.913 -16.117 0.984 1.00 0.00 H new ATOM 1289 N ILE A 77 4.270 -7.414 3.942 1.00 0.00 N ATOM 1290 CA ILE A 77 3.163 -6.478 4.097 1.00 0.00 C ATOM 1291 C ILE A 77 3.637 -5.168 4.726 1.00 0.00 C ATOM 1292 O ILE A 77 4.226 -5.165 5.806 1.00 0.00 O ATOM 1293 CB ILE A 77 2.036 -7.079 4.962 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.514 -8.370 4.328 1.00 0.00 C ATOM 1295 CG2 ILE A 77 0.901 -6.080 5.142 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.910 -9.339 5.323 1.00 0.00 C ATOM 0 H ILE A 77 4.676 -7.738 4.820 1.00 0.00 H new ATOM 0 HA ILE A 77 2.773 -6.277 3.099 1.00 0.00 H new ATOM 0 HB ILE A 77 2.445 -7.311 5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.763 -8.118 3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.333 -8.864 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.118 -6.526 5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.280 -5.183 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.492 -5.815 4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.563 -10.229 4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.663 -9.622 6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.069 -8.864 5.829 1.00 0.00 H new ATOM 1308 N PHE A 78 3.373 -4.058 4.042 1.00 0.00 N ATOM 1309 CA PHE A 78 3.770 -2.744 4.540 1.00 0.00 C ATOM 1310 C PHE A 78 2.560 -1.827 4.680 1.00 0.00 C ATOM 1311 O PHE A 78 1.599 -1.926 3.918 1.00 0.00 O ATOM 1312 CB PHE A 78 4.811 -2.110 3.615 1.00 0.00 C ATOM 1313 CG PHE A 78 4.413 -2.090 2.165 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.428 -3.253 1.411 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.031 -0.906 1.556 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.070 -3.233 0.076 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.669 -0.880 0.222 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.690 -2.045 -0.518 1.00 0.00 C ATOM 0 H PHE A 78 2.888 -4.042 3.145 1.00 0.00 H new ATOM 0 HA PHE A 78 4.215 -2.878 5.526 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.998 -1.088 3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.750 -2.654 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.722 -4.185 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.016 0.008 2.131 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.087 -4.145 -0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.371 0.049 -0.240 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.410 -2.028 -1.561 1.00 0.00 H new ATOM 1328 N GLN A 79 2.611 -0.939 5.670 1.00 0.00 N ATOM 1329 CA GLN A 79 1.515 -0.008 5.920 1.00 0.00 C ATOM 1330 C GLN A 79 1.937 1.432 5.643 1.00 0.00 C ATOM 1331 O GLN A 79 3.064 1.832 5.940 1.00 0.00 O ATOM 1332 CB GLN A 79 1.034 -0.141 7.366 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.116 0.792 7.714 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.392 0.846 9.204 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -1.242 -0.054 9.682 1.00 0.00 O flip ATOM 1336 NE2 GLN A 79 0.153 1.688 9.917 1.00 0.00 N flip ATOM 0 H GLN A 79 3.399 -0.845 6.311 1.00 0.00 H new ATOM 0 HA GLN A 79 0.699 -0.259 5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.722 -1.170 7.543 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.869 0.059 8.038 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.113 1.795 7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.016 0.464 7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.800 2.361 9.507 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.043 1.712 10.918 1.00 0.00 H new ATOM 1345 N ILE A 80 1.016 2.206 5.074 1.00 0.00 N ATOM 1346 CA ILE A 80 1.274 3.605 4.754 1.00 0.00 C ATOM 1347 C ILE A 80 0.185 4.503 5.333 1.00 0.00 C ATOM 1348 O ILE A 80 -0.975 4.426 4.928 1.00 0.00 O ATOM 1349 CB ILE A 80 1.356 3.827 3.231 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.408 2.903 2.617 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.673 5.283 2.919 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.830 1.640 2.020 1.00 0.00 C ATOM 0 H ILE A 80 0.081 1.885 4.825 1.00 0.00 H new ATOM 0 HA ILE A 80 2.234 3.865 5.200 1.00 0.00 H new ATOM 0 HB ILE A 80 0.387 3.588 2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.949 3.446 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.134 2.633 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.727 5.420 1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.890 5.921 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.630 5.551 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.634 1.033 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.313 1.074 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.125 1.900 1.230 1.00 0.00 H new ATOM 1364 N LEU A 81 0.565 5.354 6.282 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.381 6.267 6.914 1.00 0.00 C ATOM 1366 C LEU A 81 -0.491 7.568 6.128 1.00 0.00 C ATOM 1367 O LEU A 81 0.501 8.072 5.602 1.00 0.00 O ATOM 1368 CB LEU A 81 0.046 6.562 8.353 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.858 7.535 9.111 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -2.039 6.798 9.727 1.00 0.00 C ATOM 1371 CD2 LEU A 81 -0.069 8.273 10.183 1.00 0.00 C ATOM 0 H LEU A 81 1.521 5.430 6.630 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.359 5.786 6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.085 5.622 8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.058 6.966 8.340 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.243 8.269 8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.671 7.507 10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.619 6.318 8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.674 6.041 10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.729 8.961 10.712 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.346 7.554 10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.741 8.834 9.717 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.703 8.107 6.049 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.942 9.350 5.323 1.00 0.00 C ATOM 1385 C TYR A 82 -3.142 10.096 5.896 1.00 0.00 C ATOM 1386 O TYR A 82 -4.102 9.484 6.365 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.171 9.062 3.839 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.074 7.876 3.586 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.643 6.584 3.851 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.357 8.049 3.083 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.463 5.497 3.623 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.184 6.967 2.853 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.733 5.693 3.124 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.554 4.612 2.898 1.00 0.00 O ATOM 0 H TYR A 82 -2.535 7.703 6.479 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.059 9.979 5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.604 9.945 3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.209 8.885 3.359 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.649 6.426 4.242 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.714 9.046 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.111 4.498 3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.180 7.118 2.463 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.085 3.788 3.144 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.083 11.423 5.853 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.165 12.255 6.365 1.00 0.00 C ATOM 1406 C ALA A 83 -5.378 12.206 5.444 1.00 0.00 C ATOM 1407 O ALA A 83 -5.272 12.475 4.246 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.688 13.689 6.540 1.00 0.00 C ATOM 0 H ALA A 83 -2.296 11.946 5.468 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.465 11.862 7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.505 14.300 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.857 13.712 7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.360 14.083 5.578 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.531 11.861 6.007 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.764 11.778 5.235 1.00 0.00 C ATOM 1416 C ASN A 84 -8.675 12.968 5.527 1.00 0.00 C ATOM 1417 O ASN A 84 -9.299 13.523 4.622 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.492 10.463 5.539 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.225 10.489 6.869 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -10.380 10.908 6.945 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -8.556 10.041 7.922 1.00 0.00 N ATOM 0 H ASN A 84 -6.637 11.634 6.996 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.505 11.802 4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.205 10.255 4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.770 9.646 5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.997 10.034 8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.600 9.703 7.813 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.744 13.354 6.796 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.578 14.477 7.211 1.00 0.00 C ATOM 1430 C GLU A 85 -8.752 15.524 7.952 1.00 0.00 C ATOM 1431 O GLU A 85 -8.894 16.724 7.714 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.723 13.989 8.101 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.797 13.224 7.344 1.00 0.00 C ATOM 1434 CD GLU A 85 -13.127 13.953 7.318 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -13.125 15.196 7.449 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -14.169 13.283 7.166 1.00 0.00 O ATOM 0 H GLU A 85 -8.232 12.906 7.556 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.995 14.937 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.316 13.349 8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.179 14.847 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.462 13.052 6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.933 12.245 7.804 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.888 15.061 8.849 1.00 0.00 N ATOM 1444 CA GLY A 86 -7.052 15.968 9.610 1.00 0.00 C ATOM 1445 C GLY A 86 -5.682 15.388 9.900 1.00 0.00 C ATOM 1446 O GLY A 86 -4.780 15.462 9.066 1.00 0.00 O ATOM 0 H GLY A 86 -7.752 14.073 9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.939 16.902 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.547 16.211 10.550 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.523 14.810 11.087 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.252 14.215 11.484 1.00 0.00 C ATOM 1452 C ILE A 87 -4.467 12.878 12.182 1.00 0.00 C ATOM 1453 O ILE A 87 -4.085 11.827 11.667 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.454 15.144 12.422 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.679 16.612 12.052 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.973 14.802 12.368 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.848 17.245 12.773 1.00 0.00 C ATOM 0 H ILE A 87 -6.259 14.741 11.790 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.681 14.062 10.568 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.810 14.992 13.441 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.775 17.178 12.277 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.842 16.686 10.977 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.422 15.465 13.035 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.827 13.769 12.682 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.608 14.927 11.349 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.948 18.285 12.462 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.762 16.704 12.529 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.678 17.203 13.849 1.00 0.00 H new ATOM 1469 N SER A 88 -5.083 12.926 13.359 1.00 0.00 N ATOM 1470 CA SER A 88 -5.350 11.718 14.132 1.00 0.00 C ATOM 1471 C SER A 88 -6.252 10.764 13.356 1.00 0.00 C ATOM 1472 O SER A 88 -6.153 9.546 13.498 1.00 0.00 O ATOM 1473 CB SER A 88 -5.998 12.077 15.471 1.00 0.00 C ATOM 1474 OG SER A 88 -6.511 10.922 16.115 1.00 0.00 O ATOM 0 H SER A 88 -5.407 13.788 13.798 1.00 0.00 H new ATOM 0 HA SER A 88 -4.399 11.218 14.319 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.264 12.561 16.116 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.802 12.794 15.309 1.00 0.00 H new ATOM 0 HG SER A 88 -6.918 11.177 16.969 1.00 0.00 H new ATOM 1480 N SER A 89 -7.132 11.327 12.532 1.00 0.00 N ATOM 1481 CA SER A 89 -8.048 10.523 11.731 1.00 0.00 C ATOM 1482 C SER A 89 -7.313 9.837 10.584 1.00 0.00 C ATOM 1483 O SER A 89 -7.781 8.831 10.052 1.00 0.00 O ATOM 1484 CB SER A 89 -9.177 11.396 11.179 1.00 0.00 C ATOM 1485 OG SER A 89 -9.936 11.971 12.227 1.00 0.00 O ATOM 0 H SER A 89 -7.229 12.334 12.402 1.00 0.00 H new ATOM 0 HA SER A 89 -8.474 9.754 12.376 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.758 12.185 10.554 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.827 10.796 10.542 1.00 0.00 H new ATOM 0 HG SER A 89 -10.650 12.525 11.848 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.159 10.391 10.208 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.345 9.844 9.121 1.00 0.00 C ATOM 1493 C ALA A 90 -5.347 8.317 9.125 1.00 0.00 C ATOM 1494 O ALA A 90 -4.878 7.687 10.072 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.922 10.368 9.226 1.00 0.00 C ATOM 0 H ALA A 90 -5.765 11.225 10.644 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.784 10.170 8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.322 9.957 8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.929 11.456 9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.493 10.068 10.182 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.878 7.732 8.056 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.943 6.281 7.933 1.00 0.00 C ATOM 1503 C LYS A 91 -4.656 5.729 7.333 1.00 0.00 C ATOM 1504 O LYS A 91 -3.727 6.480 7.033 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.138 5.875 7.066 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.462 6.442 7.551 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.785 5.978 8.963 1.00 0.00 C ATOM 1508 CE LYS A 91 -10.098 5.209 9.018 1.00 0.00 C ATOM 1509 NZ LYS A 91 -9.925 3.858 9.619 1.00 0.00 N ATOM 0 H LYS A 91 -6.269 8.241 7.263 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.067 5.861 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.963 6.207 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.205 4.787 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.424 7.531 7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.260 6.135 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.977 5.346 9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.841 6.842 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.826 5.775 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.503 5.109 8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.841 3.367 9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.250 3.309 9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.563 3.953 10.589 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.607 4.413 7.161 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.433 3.760 6.596 1.00 0.00 C ATOM 1525 C ASN A 92 -3.829 2.793 5.484 1.00 0.00 C ATOM 1526 O ASN A 92 -5.003 2.462 5.324 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.654 3.016 7.686 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.553 2.433 8.761 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -4.512 1.610 8.352 1.00 0.00 O flip ATOM 1530 ND2 ASN A 92 -3.389 2.722 9.946 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.367 3.778 7.405 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.792 4.532 6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.076 2.213 7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.941 3.700 8.147 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.639 3.359 10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.003 2.325 10.657 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.839 2.347 4.717 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.083 1.420 3.616 1.00 0.00 C ATOM 1539 C LEU A 93 -2.177 0.197 3.718 1.00 0.00 C ATOM 1540 O LEU A 93 -0.951 0.316 3.694 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.855 2.123 2.274 1.00 0.00 C ATOM 1542 CG LEU A 93 -3.894 1.804 1.191 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.517 3.083 0.647 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.259 0.996 0.067 1.00 0.00 C ATOM 0 H LEU A 93 -1.861 2.612 4.837 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.119 1.087 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.846 3.200 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.868 1.850 1.901 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.686 1.206 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.251 2.833 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.008 3.622 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.739 3.711 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.009 0.778 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.446 1.569 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.866 0.062 0.468 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.787 -0.980 3.824 1.00 0.00 N ATOM 1557 CA LEU A 94 -2.031 -2.221 3.921 1.00 0.00 C ATOM 1558 C LEU A 94 -1.852 -2.844 2.541 1.00 0.00 C ATOM 1559 O LEU A 94 -2.827 -3.118 1.843 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.741 -3.206 4.853 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.605 -2.900 6.346 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.203 -3.230 6.832 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.940 -1.441 6.623 1.00 0.00 C ATOM 0 H LEU A 94 -3.800 -1.099 3.845 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.048 -1.994 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.800 -3.225 4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.350 -4.206 4.666 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.312 -3.524 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.125 -3.006 7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.001 -4.288 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.477 -2.632 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.838 -1.240 7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.257 -0.799 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.965 -1.238 6.312 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.601 -3.055 2.147 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.300 -3.630 0.846 1.00 0.00 C ATOM 1577 C LEU A 95 0.627 -4.835 0.971 1.00 0.00 C ATOM 1578 O LEU A 95 1.782 -4.703 1.376 1.00 0.00 O ATOM 1579 CB LEU A 95 0.332 -2.567 -0.050 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.505 -1.299 -0.223 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.171 -0.346 -1.193 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.907 -1.646 -0.703 1.00 0.00 C ATOM 0 H LEU A 95 0.220 -2.836 2.712 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.232 -3.975 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.302 -2.292 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.516 -3.002 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.587 -0.805 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.438 0.551 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.154 -0.072 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.283 -0.832 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.488 -0.731 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.846 -2.163 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.392 -2.293 0.028 1.00 0.00 H new ATOM 1594 N LEU A 96 0.112 -6.006 0.613 1.00 0.00 N ATOM 1595 CA LEU A 96 0.889 -7.238 0.675 1.00 0.00 C ATOM 1596 C LEU A 96 1.634 -7.463 -0.637 1.00 0.00 C ATOM 1597 O LEU A 96 1.048 -7.380 -1.718 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.032 -8.427 0.982 1.00 0.00 C ATOM 1599 CG LEU A 96 0.563 -9.815 0.720 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.426 -10.257 1.891 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.543 -10.825 0.460 1.00 0.00 C ATOM 0 H LEU A 96 -0.843 -6.128 0.276 1.00 0.00 H new ATOM 0 HA LEU A 96 1.623 -7.150 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.329 -8.371 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.939 -8.323 0.387 1.00 0.00 H new ATOM 0 HG LEU A 96 1.194 -9.758 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.839 -11.245 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.239 -9.545 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.819 -10.298 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.104 -11.806 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.199 -10.878 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.120 -10.516 -0.412 1.00 0.00 H new ATOM 1613 N ALA A 97 2.926 -7.746 -0.537 1.00 0.00 N ATOM 1614 CA ALA A 97 3.750 -7.981 -1.715 1.00 0.00 C ATOM 1615 C ALA A 97 3.998 -9.471 -1.922 1.00 0.00 C ATOM 1616 O ALA A 97 4.231 -10.212 -0.966 1.00 0.00 O ATOM 1617 CB ALA A 97 5.072 -7.236 -1.590 1.00 0.00 C ATOM 0 H ALA A 97 3.426 -7.818 0.349 1.00 0.00 H new ATOM 0 HA ALA A 97 3.213 -7.604 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.679 -7.420 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.880 -6.167 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.605 -7.587 -0.706 1.00 0.00 H new ATOM 1623 N ASN A 98 3.950 -9.906 -3.178 1.00 0.00 N ATOM 1624 CA ASN A 98 4.172 -11.309 -3.511 1.00 0.00 C ATOM 1625 C ASN A 98 5.533 -11.776 -3.004 1.00 0.00 C ATOM 1626 O ASN A 98 5.723 -12.954 -2.700 1.00 0.00 O ATOM 1627 CB ASN A 98 4.081 -11.522 -5.023 1.00 0.00 C ATOM 1628 CG ASN A 98 2.891 -10.809 -5.638 1.00 0.00 C ATOM 1629 OD1 ASN A 98 1.785 -11.346 -5.680 1.00 0.00 O ATOM 1630 ND2 ASN A 98 3.117 -9.593 -6.120 1.00 0.00 N ATOM 0 H ASN A 98 3.759 -9.307 -3.981 1.00 0.00 H new ATOM 0 HA ASN A 98 3.396 -11.898 -3.023 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.997 -11.165 -5.493 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.010 -12.589 -5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.356 -9.064 -6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.051 -9.187 -6.063 1.00 0.00 H new ATOM 1637 N SER A 99 6.475 -10.843 -2.913 1.00 0.00 N ATOM 1638 CA SER A 99 7.819 -11.156 -2.442 1.00 0.00 C ATOM 1639 C SER A 99 8.300 -10.107 -1.447 1.00 0.00 C ATOM 1640 O SER A 99 7.909 -8.943 -1.520 1.00 0.00 O ATOM 1641 CB SER A 99 8.790 -11.243 -3.620 1.00 0.00 C ATOM 1642 OG SER A 99 8.888 -12.570 -4.105 1.00 0.00 O ATOM 0 H SER A 99 6.332 -9.864 -3.159 1.00 0.00 H new ATOM 0 HA SER A 99 7.786 -12.122 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.455 -10.584 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.774 -10.892 -3.310 1.00 0.00 H new ATOM 0 HG SER A 99 9.514 -12.597 -4.859 1.00 0.00 H new ATOM 1648 N THR A 100 9.151 -10.526 -0.516 1.00 0.00 N ATOM 1649 CA THR A 100 9.686 -9.620 0.494 1.00 0.00 C ATOM 1650 C THR A 100 10.395 -8.435 -0.156 1.00 0.00 C ATOM 1651 O THR A 100 10.214 -7.290 0.254 1.00 0.00 O ATOM 1652 CB THR A 100 10.657 -10.364 1.412 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.285 -11.726 1.536 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.733 -9.778 2.806 1.00 0.00 C ATOM 0 H THR A 100 9.485 -11.487 -0.440 1.00 0.00 H new ATOM 0 HA THR A 100 8.851 -9.243 1.084 1.00 0.00 H new ATOM 0 HB THR A 100 11.635 -10.263 0.941 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.919 -12.186 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.439 -10.353 3.404 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.066 -8.742 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.748 -9.816 3.271 1.00 0.00 H new ATOM 1662 N GLU A 101 11.204 -8.724 -1.170 1.00 0.00 N ATOM 1663 CA GLU A 101 11.944 -7.686 -1.881 1.00 0.00 C ATOM 1664 C GLU A 101 11.014 -6.582 -2.375 1.00 0.00 C ATOM 1665 O GLU A 101 11.347 -5.400 -2.308 1.00 0.00 O ATOM 1666 CB GLU A 101 12.705 -8.295 -3.060 1.00 0.00 C ATOM 1667 CG GLU A 101 13.499 -9.537 -2.696 1.00 0.00 C ATOM 1668 CD GLU A 101 14.501 -9.923 -3.767 1.00 0.00 C ATOM 1669 OE1 GLU A 101 14.070 -10.251 -4.892 1.00 0.00 O ATOM 1670 OE2 GLU A 101 15.717 -9.896 -3.479 1.00 0.00 O ATOM 0 H GLU A 101 11.364 -9.669 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 101 12.655 -7.243 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.996 -8.546 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.384 -7.547 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.025 -9.365 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.812 -10.367 -2.530 1.00 0.00 H new ATOM 1677 N GLU A 102 9.844 -6.977 -2.870 1.00 0.00 N ATOM 1678 CA GLU A 102 8.866 -6.017 -3.376 1.00 0.00 C ATOM 1679 C GLU A 102 8.472 -5.022 -2.288 1.00 0.00 C ATOM 1680 O GLU A 102 8.335 -3.827 -2.548 1.00 0.00 O ATOM 1681 CB GLU A 102 7.625 -6.747 -3.898 1.00 0.00 C ATOM 1682 CG GLU A 102 7.229 -6.340 -5.306 1.00 0.00 C ATOM 1683 CD GLU A 102 7.823 -7.247 -6.366 1.00 0.00 C ATOM 1684 OE1 GLU A 102 9.056 -7.448 -6.352 1.00 0.00 O ATOM 1685 OE2 GLU A 102 7.055 -7.758 -7.208 1.00 0.00 O ATOM 0 H GLU A 102 9.550 -7.952 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 102 9.323 -5.466 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.810 -7.821 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.790 -6.554 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.142 -6.352 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.552 -5.315 -5.488 1.00 0.00 H new ATOM 1692 N GLN A 103 8.290 -5.522 -1.071 1.00 0.00 N ATOM 1693 CA GLN A 103 7.911 -4.675 0.054 1.00 0.00 C ATOM 1694 C GLN A 103 9.002 -3.648 0.349 1.00 0.00 C ATOM 1695 O GLN A 103 8.711 -2.496 0.667 1.00 0.00 O ATOM 1696 CB GLN A 103 7.643 -5.532 1.298 1.00 0.00 C ATOM 1697 CG GLN A 103 7.482 -4.726 2.578 1.00 0.00 C ATOM 1698 CD GLN A 103 8.697 -4.820 3.482 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.225 -5.905 3.717 1.00 0.00 O ATOM 1700 NE2 GLN A 103 9.143 -3.679 3.994 1.00 0.00 N ATOM 0 H GLN A 103 8.399 -6.509 -0.838 1.00 0.00 H new ATOM 0 HA GLN A 103 6.998 -4.142 -0.212 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.740 -6.120 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.464 -6.237 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.302 -3.681 2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.604 -5.080 3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.673 -2.802 3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.956 -3.680 4.610 1.00 0.00 H new ATOM 1709 N GLN A 104 10.256 -4.073 0.239 1.00 0.00 N ATOM 1710 CA GLN A 104 11.386 -3.182 0.496 1.00 0.00 C ATOM 1711 C GLN A 104 11.472 -2.101 -0.575 1.00 0.00 C ATOM 1712 O GLN A 104 11.821 -0.955 -0.289 1.00 0.00 O ATOM 1713 CB GLN A 104 12.708 -3.962 0.547 1.00 0.00 C ATOM 1714 CG GLN A 104 12.570 -5.412 0.989 1.00 0.00 C ATOM 1715 CD GLN A 104 11.707 -5.574 2.225 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.376 -4.599 2.899 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.338 -6.815 2.526 1.00 0.00 N ATOM 0 H GLN A 104 10.517 -5.023 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 104 11.221 -2.714 1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.167 -3.939 -0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.390 -3.452 1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.141 -5.995 0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.560 -5.822 1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.637 -7.593 1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.756 -6.990 3.345 1.00 0.00 H new ATOM 1726 N LYS A 105 11.158 -2.476 -1.810 1.00 0.00 N ATOM 1727 CA LYS A 105 11.204 -1.543 -2.928 1.00 0.00 C ATOM 1728 C LYS A 105 10.027 -0.572 -2.887 1.00 0.00 C ATOM 1729 O LYS A 105 10.211 0.643 -2.965 1.00 0.00 O ATOM 1730 CB LYS A 105 11.207 -2.305 -4.256 1.00 0.00 C ATOM 1731 CG LYS A 105 11.068 -1.410 -5.479 1.00 0.00 C ATOM 1732 CD LYS A 105 10.992 -2.222 -6.762 1.00 0.00 C ATOM 1733 CE LYS A 105 9.914 -1.694 -7.694 1.00 0.00 C ATOM 1734 NZ LYS A 105 9.933 -2.381 -9.015 1.00 0.00 N ATOM 0 H LYS A 105 10.869 -3.421 -2.062 1.00 0.00 H new ATOM 0 HA LYS A 105 12.125 -0.966 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.134 -2.872 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.391 -3.027 -4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.172 -0.797 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.917 -0.728 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.957 -2.195 -7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.787 -3.265 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.937 -1.827 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.054 -0.623 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.182 -1.991 -9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.856 -2.233 -9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.774 -3.400 -8.879 1.00 0.00 H new ATOM 1748 N TRP A 106 8.818 -1.113 -2.780 1.00 0.00 N ATOM 1749 CA TRP A 106 7.616 -0.289 -2.747 1.00 0.00 C ATOM 1750 C TRP A 106 7.684 0.756 -1.637 1.00 0.00 C ATOM 1751 O TRP A 106 7.458 1.942 -1.868 1.00 0.00 O ATOM 1752 CB TRP A 106 6.376 -1.155 -2.557 1.00 0.00 C ATOM 1753 CG TRP A 106 5.667 -1.429 -3.842 1.00 0.00 C ATOM 1754 CD1 TRP A 106 5.916 -2.454 -4.696 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.614 -0.659 -4.429 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.064 -2.390 -5.773 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.259 -1.293 -5.634 1.00 0.00 C ATOM 1758 CE3 TRP A 106 3.931 0.500 -4.053 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.255 -0.809 -6.464 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 2.934 0.979 -4.880 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.605 0.326 -6.072 1.00 0.00 C ATOM 0 H TRP A 106 8.645 -2.116 -2.715 1.00 0.00 H new ATOM 0 HA TRP A 106 7.552 0.229 -3.704 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.664 -2.100 -2.096 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.693 -0.659 -1.867 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.673 -3.210 -4.551 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.037 -3.052 -6.549 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.178 1.011 -3.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 2.998 -1.312 -7.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.399 1.874 -4.601 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.820 0.728 -6.696 1.00 0.00 H new ATOM 1772 N VAL A 107 7.987 0.297 -0.428 1.00 0.00 N ATOM 1773 CA VAL A 107 8.074 1.176 0.732 1.00 0.00 C ATOM 1774 C VAL A 107 9.194 2.200 0.583 1.00 0.00 C ATOM 1775 O VAL A 107 8.982 3.396 0.782 1.00 0.00 O ATOM 1776 CB VAL A 107 8.300 0.367 2.025 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.273 1.275 3.245 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.261 -0.736 2.151 1.00 0.00 C ATOM 0 H VAL A 107 8.177 -0.684 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 107 7.123 1.704 0.795 1.00 0.00 H new ATOM 0 HB VAL A 107 9.286 -0.094 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.435 0.681 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.060 2.024 3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.305 1.772 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.435 -1.297 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.264 -0.296 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.337 -1.407 1.296 1.00 0.00 H new ATOM 1788 N SER A 108 10.388 1.726 0.248 1.00 0.00 N ATOM 1789 CA SER A 108 11.544 2.602 0.092 1.00 0.00 C ATOM 1790 C SER A 108 11.348 3.605 -1.044 1.00 0.00 C ATOM 1791 O SER A 108 11.776 4.754 -0.944 1.00 0.00 O ATOM 1792 CB SER A 108 12.805 1.773 -0.162 1.00 0.00 C ATOM 1793 OG SER A 108 13.074 0.907 0.927 1.00 0.00 O ATOM 0 H SER A 108 10.582 0.739 0.079 1.00 0.00 H new ATOM 0 HA SER A 108 11.656 3.164 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.682 1.188 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.655 2.437 -0.321 1.00 0.00 H new ATOM 0 HG SER A 108 12.683 0.026 0.749 1.00 0.00 H new ATOM 1799 N ARG A 109 10.713 3.166 -2.125 1.00 0.00 N ATOM 1800 CA ARG A 109 10.481 4.039 -3.272 1.00 0.00 C ATOM 1801 C ARG A 109 9.363 5.039 -2.992 1.00 0.00 C ATOM 1802 O ARG A 109 9.547 6.249 -3.145 1.00 0.00 O ATOM 1803 CB ARG A 109 10.141 3.208 -4.511 1.00 0.00 C ATOM 1804 CG ARG A 109 11.365 2.701 -5.257 1.00 0.00 C ATOM 1805 CD ARG A 109 12.126 3.837 -5.920 1.00 0.00 C ATOM 1806 NE ARG A 109 13.568 3.604 -5.923 1.00 0.00 N ATOM 1807 CZ ARG A 109 14.185 2.792 -6.777 1.00 0.00 C ATOM 1808 NH1 ARG A 109 13.493 2.133 -7.698 1.00 0.00 N ATOM 1809 NH2 ARG A 109 15.500 2.638 -6.714 1.00 0.00 N ATOM 0 H ARG A 109 10.352 2.218 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 109 11.398 4.599 -3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.530 2.357 -4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.537 3.811 -5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.023 2.177 -4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.058 1.978 -6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.776 3.957 -6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 109 11.911 4.770 -5.399 1.00 0.00 H new ATOM 0 HE ARG A 109 14.135 4.092 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 109 12.481 2.247 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 109 13.973 1.512 -8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 109 16.039 3.142 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 109 15.973 2.015 -7.369 1.00 0.00 H new ATOM 1823 N LEU A 110 8.204 4.531 -2.589 1.00 0.00 N ATOM 1824 CA LEU A 110 7.059 5.384 -2.298 1.00 0.00 C ATOM 1825 C LEU A 110 7.371 6.363 -1.169 1.00 0.00 C ATOM 1826 O LEU A 110 6.935 7.514 -1.197 1.00 0.00 O ATOM 1827 CB LEU A 110 5.835 4.533 -1.941 1.00 0.00 C ATOM 1828 CG LEU A 110 5.841 3.927 -0.534 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.284 4.919 0.475 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.042 2.632 -0.511 1.00 0.00 C ATOM 0 H LEU A 110 8.033 3.534 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 110 6.837 5.963 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.942 5.149 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.753 3.723 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 110 6.871 3.700 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.296 4.472 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.897 5.821 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.260 5.176 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.056 2.214 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.012 2.834 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.485 1.919 -1.206 1.00 0.00 H new ATOM 1842 N VAL A 111 8.130 5.904 -0.178 1.00 0.00 N ATOM 1843 CA VAL A 111 8.496 6.750 0.951 1.00 0.00 C ATOM 1844 C VAL A 111 9.512 7.807 0.534 1.00 0.00 C ATOM 1845 O VAL A 111 9.404 8.972 0.914 1.00 0.00 O ATOM 1846 CB VAL A 111 9.062 5.919 2.123 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.472 5.430 1.819 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.039 6.729 3.410 1.00 0.00 C ATOM 0 H VAL A 111 8.502 4.955 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 111 7.585 7.245 1.288 1.00 0.00 H new ATOM 0 HB VAL A 111 8.426 5.043 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.845 4.848 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.456 4.806 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.126 6.286 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.441 6.128 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.646 7.626 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.013 7.015 3.642 1.00 0.00 H new ATOM 1858 N LYS A 112 10.497 7.390 -0.257 1.00 0.00 N ATOM 1859 CA LYS A 112 11.528 8.302 -0.734 1.00 0.00 C ATOM 1860 C LYS A 112 10.907 9.440 -1.534 1.00 0.00 C ATOM 1861 O LYS A 112 11.419 10.559 -1.546 1.00 0.00 O ATOM 1862 CB LYS A 112 12.546 7.551 -1.596 1.00 0.00 C ATOM 1863 CG LYS A 112 13.765 7.073 -0.823 1.00 0.00 C ATOM 1864 CD LYS A 112 14.934 6.786 -1.751 1.00 0.00 C ATOM 1865 CE LYS A 112 16.013 5.973 -1.052 1.00 0.00 C ATOM 1866 NZ LYS A 112 17.149 6.826 -0.606 1.00 0.00 N ATOM 0 H LYS A 112 10.601 6.428 -0.580 1.00 0.00 H new ATOM 0 HA LYS A 112 12.040 8.722 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.057 6.691 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.873 8.202 -2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.055 7.830 -0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.513 6.172 -0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.579 6.244 -2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.357 7.726 -2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.582 5.463 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 112 16.382 5.202 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.863 6.235 -0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 17.577 7.294 -1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.802 7.546 0.059 1.00 0.00 H new ATOM 1880 N LYS A 113 9.795 9.143 -2.199 1.00 0.00 N ATOM 1881 CA LYS A 113 9.094 10.142 -3.000 1.00 0.00 C ATOM 1882 C LYS A 113 8.487 11.224 -2.113 1.00 0.00 C ATOM 1883 O LYS A 113 8.274 12.354 -2.553 1.00 0.00 O ATOM 1884 CB LYS A 113 8.001 9.477 -3.837 1.00 0.00 C ATOM 1885 CG LYS A 113 8.540 8.551 -4.917 1.00 0.00 C ATOM 1886 CD LYS A 113 8.231 9.075 -6.309 1.00 0.00 C ATOM 1887 CE LYS A 113 7.003 8.402 -6.899 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.117 8.228 -8.372 1.00 0.00 N ATOM 0 H LYS A 113 9.360 8.220 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 113 9.818 10.611 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.345 8.909 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.391 10.251 -4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.618 8.443 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 113 8.105 7.559 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.071 10.152 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.088 8.906 -6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.862 7.429 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.119 8.997 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.335 7.633 -8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.073 9.158 -8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.023 7.771 -8.598 1.00 0.00 H new ATOM 1902 N ILE A 114 8.208 10.872 -0.860 1.00 0.00 N ATOM 1903 CA ILE A 114 7.625 11.814 0.089 1.00 0.00 C ATOM 1904 C ILE A 114 8.604 12.938 0.419 1.00 0.00 C ATOM 1905 O ILE A 114 9.795 12.694 0.619 1.00 0.00 O ATOM 1906 CB ILE A 114 7.207 11.103 1.392 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.281 9.929 1.079 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.530 12.078 2.346 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.064 9.000 2.252 1.00 0.00 C ATOM 0 H ILE A 114 8.377 9.941 -0.479 1.00 0.00 H new ATOM 0 HA ILE A 114 6.740 12.240 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 114 8.104 10.720 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.317 10.316 0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.698 9.360 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.244 11.555 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.220 12.885 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.641 12.493 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.397 8.191 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.021 8.584 2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.618 9.555 3.078 1.00 0.00 H new ATOM 1921 N PRO A 115 8.117 14.191 0.479 1.00 0.00 N ATOM 1922 CA PRO A 115 8.959 15.350 0.783 1.00 0.00 C ATOM 1923 C PRO A 115 9.318 15.433 2.263 1.00 0.00 C ATOM 1924 O PRO A 115 10.454 15.747 2.619 1.00 0.00 O ATOM 1925 CB PRO A 115 8.082 16.534 0.377 1.00 0.00 C ATOM 1926 CG PRO A 115 6.686 16.049 0.556 1.00 0.00 C ATOM 1927 CD PRO A 115 6.709 14.574 0.251 1.00 0.00 C ATOM 0 HA PRO A 115 9.916 15.311 0.262 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.281 17.406 1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 115 8.269 16.830 -0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.339 16.230 1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.003 16.574 -0.112 1.00 0.00 H new ATOM 0 HD2 PRO A 115 6.033 14.020 0.902 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.400 14.372 -0.775 1.00 0.00 H new