USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=23 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= -3.82 K(o=-12,f=-13!) USER MOD Set 1.2: A 104 GLN : amide:sc= -7.71! C(o=-12!,f=-13!) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 1 USER MOD Set 2.2: A 64 THR OG1 : rot -72:sc= 1.09 USER MOD Single : A 8 SER OG : rot 160:sc= -1.09 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -133:sc= 1.26 USER MOD Single : A 28 SER OG : rot 180:sc= -0.248 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.104) USER MOD Single : A 31 LYS NZ :NH3+ -134:sc= -0.357 (180deg=-1.2!) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.897 USER MOD Single : A 37 SER OG : rot 19:sc= 1.13 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.013) 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= -0.139 X(o=-0.14,f=-0.012) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 146:sc= -5.6! (180deg=-8.97!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.31) USER MOD Single : A 63 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.61) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= -0.131 (180deg=-0.632) USER MOD Single : A 79 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 82 TYR OH : rot -142:sc= -1.16 USER MOD Single : A 84 ASN :FLIP amide:sc= -4.18! F(o=-5.5,f=-4.2!) 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 : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 98 ASN : amide:sc= -1.13 K(o=-1.1,f=-5!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 93:sc= 0.0567 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 147:sc= -0.04 (180deg=-0.805) USER MOD ----------------------------------------------------------------- ATOM 14 N ARG A 2 7.689 4.237 -12.865 1.00 0.00 N ATOM 15 CA ARG A 2 7.904 4.422 -11.435 1.00 0.00 C ATOM 16 C ARG A 2 7.314 3.261 -10.642 1.00 0.00 C ATOM 17 O ARG A 2 6.804 2.300 -11.220 1.00 0.00 O ATOM 18 CB ARG A 2 7.294 5.746 -10.968 1.00 0.00 C ATOM 19 CG ARG A 2 5.813 5.887 -11.286 1.00 0.00 C ATOM 20 CD ARG A 2 5.590 6.432 -12.687 1.00 0.00 C ATOM 21 NE ARG A 2 5.476 7.889 -12.694 1.00 0.00 N ATOM 22 CZ ARG A 2 4.503 8.564 -13.307 1.00 0.00 C ATOM 23 NH1 ARG A 2 3.557 7.924 -13.984 1.00 0.00 N ATOM 24 NH2 ARG A 2 4.481 9.888 -13.247 1.00 0.00 N ATOM 0 HA ARG A 2 8.979 4.449 -11.256 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.435 5.840 -9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.836 6.569 -11.434 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.326 4.916 -11.191 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.346 6.551 -10.558 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.417 6.130 -13.330 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.684 5.995 -13.106 1.00 0.00 H new ATOM 0 HE ARG A 2 6.188 8.425 -12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.570 6.906 -14.039 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.818 8.451 -14.449 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.207 10.387 -12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.738 10.407 -13.715 1.00 0.00 H new ATOM 38 N LEU A 3 7.382 3.355 -9.314 1.00 0.00 N ATOM 39 CA LEU A 3 6.850 2.310 -8.441 1.00 0.00 C ATOM 40 C LEU A 3 5.452 1.899 -8.885 1.00 0.00 C ATOM 41 O LEU A 3 4.505 2.676 -8.782 1.00 0.00 O ATOM 42 CB LEU A 3 6.811 2.800 -6.994 1.00 0.00 C ATOM 43 CG LEU A 3 7.072 1.726 -5.936 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.489 1.188 -6.060 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.830 2.287 -4.541 1.00 0.00 C ATOM 0 H LEU A 3 7.800 4.144 -8.820 1.00 0.00 H new ATOM 0 HA LEU A 3 7.507 1.442 -8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.551 3.592 -6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.834 3.245 -6.804 1.00 0.00 H new ATOM 0 HG LEU A 3 6.379 0.901 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.656 0.425 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.627 0.751 -7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.201 2.002 -5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.020 1.511 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.500 3.128 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.796 2.623 -4.458 1.00 0.00 H new ATOM 57 N GLU A 4 5.329 0.679 -9.390 1.00 0.00 N ATOM 58 CA GLU A 4 4.045 0.181 -9.855 1.00 0.00 C ATOM 59 C GLU A 4 4.015 -1.343 -9.872 1.00 0.00 C ATOM 60 O GLU A 4 5.057 -1.998 -9.869 1.00 0.00 O ATOM 61 CB GLU A 4 3.754 0.724 -11.255 1.00 0.00 C ATOM 62 CG GLU A 4 4.652 0.143 -12.337 1.00 0.00 C ATOM 63 CD GLU A 4 4.238 0.575 -13.731 1.00 0.00 C ATOM 64 OE1 GLU A 4 3.388 -0.111 -14.336 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.767 1.597 -14.217 1.00 0.00 O ATOM 0 H GLU A 4 6.101 0.019 -9.487 1.00 0.00 H new ATOM 0 HA GLU A 4 3.277 0.526 -9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.714 0.514 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.867 1.808 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.681 0.453 -12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.631 -0.945 -12.276 1.00 0.00 H new ATOM 72 N GLY A 5 2.810 -1.894 -9.891 1.00 0.00 N ATOM 73 CA GLY A 5 2.646 -3.333 -9.910 1.00 0.00 C ATOM 74 C GLY A 5 1.348 -3.757 -9.265 1.00 0.00 C ATOM 75 O GLY A 5 0.359 -3.027 -9.316 1.00 0.00 O ATOM 0 H GLY A 5 1.937 -1.366 -9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.673 -3.689 -10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.481 -3.801 -9.389 1.00 0.00 H new ATOM 79 N TRP A 6 1.345 -4.931 -8.651 1.00 0.00 N ATOM 80 CA TRP A 6 0.149 -5.430 -7.991 1.00 0.00 C ATOM 81 C TRP A 6 0.408 -5.698 -6.521 1.00 0.00 C ATOM 82 O TRP A 6 1.323 -6.438 -6.163 1.00 0.00 O ATOM 83 CB TRP A 6 -0.347 -6.707 -8.659 1.00 0.00 C ATOM 84 CG TRP A 6 -0.582 -6.541 -10.119 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.364 -6.513 -11.086 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.840 -6.373 -10.773 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.218 -6.325 -12.313 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.577 -6.240 -12.149 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.161 -6.320 -10.330 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.590 -6.058 -13.086 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.168 -6.141 -11.259 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.878 -6.012 -12.624 1.00 0.00 C ATOM 0 H TRP A 6 2.152 -5.552 -8.596 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.617 -4.660 -8.080 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.383 -7.501 -8.501 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.273 -7.026 -8.181 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.425 -6.623 -10.916 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.278 -6.259 -13.202 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.393 -6.417 -9.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.368 -5.957 -14.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.195 -6.100 -10.928 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.687 -5.873 -13.326 1.00 0.00 H new ATOM 103 N LEU A 7 -0.419 -5.109 -5.675 1.00 0.00 N ATOM 104 CA LEU A 7 -0.299 -5.302 -4.245 1.00 0.00 C ATOM 105 C LEU A 7 -1.587 -5.895 -3.709 1.00 0.00 C ATOM 106 O LEU A 7 -2.661 -5.689 -4.273 1.00 0.00 O ATOM 107 CB LEU A 7 0.031 -3.989 -3.547 1.00 0.00 C ATOM 108 CG LEU A 7 1.423 -3.437 -3.863 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.518 -1.968 -3.491 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.491 -4.241 -3.135 1.00 0.00 C ATOM 0 H LEU A 7 -1.181 -4.493 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 7 0.520 -5.993 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.714 -3.245 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.053 -4.133 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 7 1.591 -3.528 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.516 -1.597 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.779 -1.401 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.327 -1.850 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.475 -3.836 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.322 -4.181 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.442 -5.283 -3.453 1.00 0.00 H new ATOM 122 N SER A 8 -1.472 -6.657 -2.641 1.00 0.00 N ATOM 123 CA SER A 8 -2.630 -7.318 -2.059 1.00 0.00 C ATOM 124 C SER A 8 -3.220 -6.525 -0.901 1.00 0.00 C ATOM 125 O SER A 8 -2.505 -6.081 -0.001 1.00 0.00 O ATOM 126 CB SER A 8 -2.256 -8.727 -1.602 1.00 0.00 C ATOM 127 OG SER A 8 -2.764 -9.703 -2.496 1.00 0.00 O ATOM 0 H SER A 8 -0.592 -6.836 -2.157 1.00 0.00 H new ATOM 0 HA SER A 8 -3.396 -7.380 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.172 -8.817 -1.538 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.650 -8.905 -0.601 1.00 0.00 H new ATOM 0 HG SER A 8 -2.266 -10.540 -2.384 1.00 0.00 H new ATOM 133 N LEU A 9 -4.536 -6.366 -0.934 1.00 0.00 N ATOM 134 CA LEU A 9 -5.255 -5.644 0.105 1.00 0.00 C ATOM 135 C LEU A 9 -6.260 -6.567 0.787 1.00 0.00 C ATOM 136 O LEU A 9 -6.785 -7.491 0.165 1.00 0.00 O ATOM 137 CB LEU A 9 -5.976 -4.435 -0.491 1.00 0.00 C ATOM 138 CG LEU A 9 -5.060 -3.344 -1.050 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.526 -3.742 -2.416 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.800 -2.017 -1.131 1.00 0.00 C ATOM 0 H LEU A 9 -5.132 -6.732 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.537 -5.294 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.633 -4.780 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.612 -3.995 0.277 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.214 -3.226 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.877 -2.953 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.959 -4.669 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.359 -3.890 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.134 -1.253 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.665 -2.122 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.132 -1.724 -0.135 1.00 0.00 H new ATOM 152 N PRO A 10 -6.544 -6.334 2.078 1.00 0.00 N ATOM 153 CA PRO A 10 -7.492 -7.158 2.833 1.00 0.00 C ATOM 154 C PRO A 10 -8.902 -7.086 2.259 1.00 0.00 C ATOM 155 O PRO A 10 -9.568 -6.053 2.343 1.00 0.00 O ATOM 156 CB PRO A 10 -7.455 -6.559 4.244 1.00 0.00 C ATOM 157 CG PRO A 10 -6.911 -5.182 4.067 1.00 0.00 C ATOM 158 CD PRO A 10 -5.968 -5.257 2.901 1.00 0.00 C ATOM 0 HA PRO A 10 -7.224 -8.214 2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.450 -6.536 4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.823 -7.150 4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.712 -4.468 3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.394 -4.848 4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.923 -4.314 2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.952 -5.491 3.218 1.00 0.00 H new ATOM 166 N VAL A 11 -9.353 -8.190 1.671 1.00 0.00 N ATOM 167 CA VAL A 11 -10.683 -8.255 1.078 1.00 0.00 C ATOM 168 C VAL A 11 -11.543 -9.314 1.762 1.00 0.00 C ATOM 169 O VAL A 11 -11.117 -10.455 1.938 1.00 0.00 O ATOM 170 CB VAL A 11 -10.608 -8.561 -0.430 1.00 0.00 C ATOM 171 CG1 VAL A 11 -9.994 -9.930 -0.672 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.988 -8.465 -1.066 1.00 0.00 C ATOM 0 H VAL A 11 -8.815 -9.053 1.593 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.142 -7.277 1.221 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.965 -7.816 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.951 -10.125 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.986 -9.955 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.604 -10.693 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.914 -8.684 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.657 -9.184 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.382 -7.458 -0.930 1.00 0.00 H new ATOM 319 N TRP A 20 -6.700 -11.435 0.619 1.00 0.00 N ATOM 320 CA TRP A 20 -5.815 -10.609 -0.193 1.00 0.00 C ATOM 321 C TRP A 20 -6.282 -10.554 -1.639 1.00 0.00 C ATOM 322 O TRP A 20 -6.903 -11.489 -2.144 1.00 0.00 O ATOM 323 CB TRP A 20 -4.383 -11.139 -0.147 1.00 0.00 C ATOM 324 CG TRP A 20 -3.832 -11.264 1.241 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.436 -12.409 1.870 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.611 -10.197 2.171 1.00 0.00 C ATOM 327 NE1 TRP A 20 -2.981 -12.120 3.135 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.079 -10.769 3.344 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.810 -8.814 2.128 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.746 -10.005 4.460 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.478 -8.057 3.236 1.00 0.00 C ATOM 332 CH2 TRP A 20 -2.950 -8.655 4.389 1.00 0.00 C ATOM 0 HA TRP A 20 -5.842 -9.602 0.224 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.350 -12.115 -0.631 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.740 -10.475 -0.725 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.474 -13.398 1.437 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.628 -12.800 3.808 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.216 -8.345 1.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.341 -10.463 5.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.628 -6.988 3.213 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.699 -8.037 5.238 1.00 0.00 H new ATOM 343 N VAL A 21 -5.964 -9.449 -2.302 1.00 0.00 N ATOM 344 CA VAL A 21 -6.329 -9.257 -3.698 1.00 0.00 C ATOM 345 C VAL A 21 -5.348 -8.311 -4.381 1.00 0.00 C ATOM 346 O VAL A 21 -5.224 -7.150 -3.992 1.00 0.00 O ATOM 347 CB VAL A 21 -7.761 -8.700 -3.833 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.875 -7.342 -3.156 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.167 -8.613 -5.297 1.00 0.00 C ATOM 0 H VAL A 21 -5.451 -8.669 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.290 -10.232 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.445 -9.386 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.893 -6.967 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.634 -7.442 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.180 -6.644 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.180 -8.218 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.480 -7.952 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.132 -9.606 -5.744 1.00 0.00 H new ATOM 359 N LYS A 22 -4.641 -8.813 -5.390 1.00 0.00 N ATOM 360 CA LYS A 22 -3.663 -8.002 -6.101 1.00 0.00 C ATOM 361 C LYS A 22 -4.331 -6.942 -6.964 1.00 0.00 C ATOM 362 O LYS A 22 -4.930 -7.249 -7.995 1.00 0.00 O ATOM 363 CB LYS A 22 -2.781 -8.875 -6.996 1.00 0.00 C ATOM 364 CG LYS A 22 -1.337 -8.969 -6.543 1.00 0.00 C ATOM 365 CD LYS A 22 -0.546 -9.956 -7.395 1.00 0.00 C ATOM 366 CE LYS A 22 -0.698 -9.675 -8.887 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.834 -10.930 -9.677 1.00 0.00 N ATOM 0 H LYS A 22 -4.727 -9.771 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.053 -7.510 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.204 -9.879 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.807 -8.478 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.872 -7.985 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.302 -9.279 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.508 -9.906 -7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.883 -10.970 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.573 -9.046 -9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.168 -9.115 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.935 -10.696 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.012 -11.519 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.674 -11.452 -9.357 1.00 0.00 H new ATOM 381 N LYS A 23 -4.182 -5.691 -6.554 1.00 0.00 N ATOM 382 CA LYS A 23 -4.722 -4.569 -7.304 1.00 0.00 C ATOM 383 C LYS A 23 -3.561 -3.785 -7.885 1.00 0.00 C ATOM 384 O LYS A 23 -2.472 -3.769 -7.311 1.00 0.00 O ATOM 385 CB LYS A 23 -5.578 -3.666 -6.417 1.00 0.00 C ATOM 386 CG LYS A 23 -6.862 -4.324 -5.939 1.00 0.00 C ATOM 387 CD LYS A 23 -7.975 -4.180 -6.966 1.00 0.00 C ATOM 388 CE LYS A 23 -8.682 -5.503 -7.216 1.00 0.00 C ATOM 389 NZ LYS A 23 -10.006 -5.309 -7.867 1.00 0.00 N ATOM 0 H LYS A 23 -3.689 -5.428 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.366 -4.944 -8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.992 -3.360 -5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.827 -2.760 -6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.680 -5.381 -5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.174 -3.874 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.697 -3.441 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.561 -3.806 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.057 -6.136 -7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.816 -6.028 -6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.456 -6.234 -8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.612 -4.726 -7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.876 -4.831 -8.781 1.00 0.00 H new ATOM 403 N TYR A 24 -3.770 -3.155 -9.026 1.00 0.00 N ATOM 404 CA TYR A 24 -2.697 -2.406 -9.657 1.00 0.00 C ATOM 405 C TYR A 24 -2.452 -1.072 -8.968 1.00 0.00 C ATOM 406 O TYR A 24 -3.222 -0.124 -9.124 1.00 0.00 O ATOM 407 CB TYR A 24 -2.963 -2.190 -11.143 1.00 0.00 C ATOM 408 CG TYR A 24 -1.694 -2.234 -11.961 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.784 -3.271 -11.796 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.393 -1.237 -12.878 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.388 -3.315 -12.524 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.220 -1.274 -13.609 1.00 0.00 C ATOM 413 CZ TYR A 24 0.666 -2.314 -13.429 1.00 0.00 C ATOM 414 OH TYR A 24 1.834 -2.352 -14.155 1.00 0.00 O ATOM 0 H TYR A 24 -4.657 -3.145 -9.529 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.795 -3.009 -9.552 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.652 -2.955 -11.502 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.453 -1.227 -11.287 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.997 -4.056 -11.086 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.085 -0.420 -13.023 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.083 -4.130 -12.385 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.001 -0.490 -14.319 1.00 0.00 H new ATOM 0 HH TYR A 24 2.261 -1.470 -14.134 1.00 0.00 H new ATOM 424 N VAL A 25 -1.356 -1.009 -8.221 1.00 0.00 N ATOM 425 CA VAL A 25 -0.974 0.203 -7.517 1.00 0.00 C ATOM 426 C VAL A 25 0.216 0.852 -8.205 1.00 0.00 C ATOM 427 O VAL A 25 1.195 0.181 -8.526 1.00 0.00 O ATOM 428 CB VAL A 25 -0.601 -0.082 -6.050 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.439 1.217 -5.278 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.642 -0.977 -5.396 1.00 0.00 C ATOM 0 H VAL A 25 -0.714 -1.791 -8.089 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.834 0.872 -7.534 1.00 0.00 H new ATOM 0 HB VAL A 25 0.354 -0.607 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.176 0.995 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.351 1.815 -5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.376 1.774 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.360 -1.166 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.614 -0.484 -5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.699 -1.923 -5.935 1.00 0.00 H new ATOM 440 N ILE A 26 0.134 2.154 -8.432 1.00 0.00 N ATOM 441 CA ILE A 26 1.220 2.871 -9.085 1.00 0.00 C ATOM 442 C ILE A 26 1.492 4.200 -8.393 1.00 0.00 C ATOM 443 O ILE A 26 0.653 5.100 -8.399 1.00 0.00 O ATOM 444 CB ILE A 26 0.911 3.124 -10.576 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.258 1.887 -11.198 1.00 0.00 C ATOM 446 CG2 ILE A 26 2.182 3.492 -11.330 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.052 2.040 -12.672 1.00 0.00 C ATOM 0 H ILE A 26 -0.666 2.733 -8.176 1.00 0.00 H new ATOM 0 HA ILE A 26 2.107 2.242 -9.012 1.00 0.00 H new ATOM 0 HB ILE A 26 0.215 3.960 -10.650 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.918 1.031 -11.061 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.665 1.666 -10.662 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.945 3.667 -12.379 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.611 4.397 -10.900 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.901 2.676 -11.251 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.513 1.125 -13.044 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.737 2.875 -12.815 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.871 2.230 -13.220 1.00 0.00 H new ATOM 459 N VAL A 27 2.674 4.314 -7.799 1.00 0.00 N ATOM 460 CA VAL A 27 3.066 5.530 -7.104 1.00 0.00 C ATOM 461 C VAL A 27 3.737 6.506 -8.062 1.00 0.00 C ATOM 462 O VAL A 27 4.892 6.319 -8.442 1.00 0.00 O ATOM 463 CB VAL A 27 4.032 5.227 -5.943 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.265 6.472 -5.099 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.501 4.087 -5.088 1.00 0.00 C ATOM 0 H VAL A 27 3.378 3.576 -7.786 1.00 0.00 H new ATOM 0 HA VAL A 27 2.157 5.977 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 27 4.989 4.919 -6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.950 6.236 -4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.696 7.257 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.316 6.815 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.197 3.888 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.530 4.363 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.394 3.192 -5.701 1.00 0.00 H new ATOM 475 N SER A 28 3.008 7.543 -8.454 1.00 0.00 N ATOM 476 CA SER A 28 3.537 8.540 -9.375 1.00 0.00 C ATOM 477 C SER A 28 4.590 9.411 -8.699 1.00 0.00 C ATOM 478 O SER A 28 4.819 9.305 -7.494 1.00 0.00 O ATOM 479 CB SER A 28 2.408 9.414 -9.923 1.00 0.00 C ATOM 480 OG SER A 28 2.892 10.330 -10.890 1.00 0.00 O ATOM 0 H SER A 28 2.050 7.715 -8.149 1.00 0.00 H new ATOM 0 HA SER A 28 4.011 8.011 -10.202 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.640 8.783 -10.369 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.937 9.960 -9.105 1.00 0.00 H new ATOM 0 HG SER A 28 2.149 10.875 -11.225 1.00 0.00 H new ATOM 486 N SER A 29 5.232 10.267 -9.489 1.00 0.00 N ATOM 487 CA SER A 29 6.274 11.162 -8.988 1.00 0.00 C ATOM 488 C SER A 29 5.878 11.814 -7.664 1.00 0.00 C ATOM 489 O SER A 29 6.700 11.937 -6.755 1.00 0.00 O ATOM 490 CB SER A 29 6.580 12.245 -10.025 1.00 0.00 C ATOM 491 OG SER A 29 6.629 11.702 -11.332 1.00 0.00 O ATOM 0 H SER A 29 5.047 10.361 -10.488 1.00 0.00 H new ATOM 0 HA SER A 29 7.165 10.559 -8.810 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.817 13.022 -9.979 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.533 12.719 -9.789 1.00 0.00 H new ATOM 0 HG SER A 29 6.824 12.415 -11.975 1.00 0.00 H new ATOM 497 N LYS A 30 4.621 12.236 -7.560 1.00 0.00 N ATOM 498 CA LYS A 30 4.136 12.878 -6.343 1.00 0.00 C ATOM 499 C LYS A 30 2.651 12.603 -6.127 1.00 0.00 C ATOM 500 O LYS A 30 1.896 13.490 -5.729 1.00 0.00 O ATOM 501 CB LYS A 30 4.382 14.388 -6.408 1.00 0.00 C ATOM 502 CG LYS A 30 5.759 14.802 -5.915 1.00 0.00 C ATOM 503 CD LYS A 30 5.678 15.973 -4.948 1.00 0.00 C ATOM 504 CE LYS A 30 6.760 17.004 -5.229 1.00 0.00 C ATOM 505 NZ LYS A 30 8.072 16.605 -4.648 1.00 0.00 N ATOM 0 H LYS A 30 3.924 12.146 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 30 4.686 12.459 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.258 14.724 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.624 14.897 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.240 13.956 -5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.384 15.074 -6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.697 16.443 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.777 15.609 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.865 17.136 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.459 17.968 -4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.680 17.444 -4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.922 16.181 -3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.531 15.911 -5.272 1.00 0.00 H new ATOM 519 N LYS A 31 2.235 11.367 -6.384 1.00 0.00 N ATOM 520 CA LYS A 31 0.842 10.983 -6.210 1.00 0.00 C ATOM 521 C LYS A 31 0.660 9.481 -6.398 1.00 0.00 C ATOM 522 O LYS A 31 1.145 8.902 -7.368 1.00 0.00 O ATOM 523 CB LYS A 31 -0.048 11.740 -7.198 1.00 0.00 C ATOM 524 CG LYS A 31 -1.526 11.418 -7.058 1.00 0.00 C ATOM 525 CD LYS A 31 -2.395 12.583 -7.503 1.00 0.00 C ATOM 526 CE LYS A 31 -2.189 13.803 -6.618 1.00 0.00 C ATOM 527 NZ LYS A 31 -1.350 14.838 -7.284 1.00 0.00 N ATOM 0 H LYS A 31 2.843 10.617 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 31 0.549 11.242 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.097 12.811 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.271 11.506 -8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.765 10.536 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.749 11.172 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.161 12.838 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.444 12.287 -7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.157 14.232 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.716 13.498 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.629 15.182 -6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.883 14.424 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.951 15.632 -7.584 1.00 0.00 H new ATOM 541 N ILE A 32 -0.049 8.855 -5.464 1.00 0.00 N ATOM 542 CA ILE A 32 -0.302 7.421 -5.528 1.00 0.00 C ATOM 543 C ILE A 32 -1.618 7.134 -6.240 1.00 0.00 C ATOM 544 O ILE A 32 -2.653 7.705 -5.902 1.00 0.00 O ATOM 545 CB ILE A 32 -0.344 6.791 -4.122 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.776 7.357 -3.246 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.234 5.276 -4.217 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.793 6.791 -1.843 1.00 0.00 C ATOM 0 H ILE A 32 -0.459 9.319 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 32 0.521 6.977 -6.089 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.299 7.040 -3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.735 7.155 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.670 8.440 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.265 4.845 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.065 4.887 -4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.707 5.009 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.613 7.238 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.152 7.016 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.930 5.711 -1.888 1.00 0.00 H new ATOM 560 N LEU A 33 -1.570 6.250 -7.231 1.00 0.00 N ATOM 561 CA LEU A 33 -2.763 5.894 -7.991 1.00 0.00 C ATOM 562 C LEU A 33 -3.138 4.432 -7.769 1.00 0.00 C ATOM 563 O LEU A 33 -2.276 3.554 -7.759 1.00 0.00 O ATOM 564 CB LEU A 33 -2.538 6.156 -9.480 1.00 0.00 C ATOM 565 CG LEU A 33 -2.194 7.606 -9.836 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.999 7.659 -10.775 1.00 0.00 C ATOM 567 CD2 LEU A 33 -3.395 8.301 -10.461 1.00 0.00 C ATOM 0 H LEU A 33 -0.721 5.768 -7.526 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.586 6.515 -7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.732 5.511 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.437 5.867 -10.025 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.931 8.131 -8.918 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.771 8.697 -11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.136 7.201 -10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.232 7.117 -11.692 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.132 9.330 -10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.689 7.774 -11.369 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.225 8.298 -9.755 1.00 0.00 H new ATOM 579 N PHE A 34 -4.430 4.180 -7.593 1.00 0.00 N ATOM 580 CA PHE A 34 -4.924 2.826 -7.372 1.00 0.00 C ATOM 581 C PHE A 34 -5.920 2.429 -8.456 1.00 0.00 C ATOM 582 O PHE A 34 -6.938 3.094 -8.652 1.00 0.00 O ATOM 583 CB PHE A 34 -5.583 2.722 -5.994 1.00 0.00 C ATOM 584 CG PHE A 34 -5.738 1.309 -5.507 1.00 0.00 C ATOM 585 CD1 PHE A 34 -4.654 0.618 -4.990 1.00 0.00 C ATOM 586 CD2 PHE A 34 -6.968 0.674 -5.566 1.00 0.00 C ATOM 587 CE1 PHE A 34 -4.795 -0.681 -4.540 1.00 0.00 C ATOM 588 CE2 PHE A 34 -7.114 -0.625 -5.118 1.00 0.00 C ATOM 589 CZ PHE A 34 -6.026 -1.304 -4.604 1.00 0.00 C ATOM 0 H PHE A 34 -5.156 4.897 -7.599 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.076 2.143 -7.415 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.989 3.283 -5.273 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.565 3.194 -6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.689 1.100 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.822 1.200 -5.967 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.943 -1.209 -4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.078 -1.109 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.138 -2.319 -4.253 1.00 0.00 H new ATOM 599 N TYR A 35 -5.621 1.341 -9.158 1.00 0.00 N ATOM 600 CA TYR A 35 -6.490 0.854 -10.223 1.00 0.00 C ATOM 601 C TYR A 35 -6.882 -0.599 -9.984 1.00 0.00 C ATOM 602 O TYR A 35 -6.384 -1.243 -9.060 1.00 0.00 O ATOM 603 CB TYR A 35 -5.795 0.988 -11.580 1.00 0.00 C ATOM 604 CG TYR A 35 -5.430 2.411 -11.937 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.223 2.963 -11.525 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.290 3.202 -12.689 1.00 0.00 C ATOM 607 CE1 TYR A 35 -3.886 4.263 -11.851 1.00 0.00 C ATOM 608 CE2 TYR A 35 -5.960 4.502 -13.019 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.757 5.027 -12.598 1.00 0.00 C ATOM 610 OH TYR A 35 -4.424 6.323 -12.924 1.00 0.00 O ATOM 0 H TYR A 35 -4.783 0.779 -9.008 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.395 1.461 -10.224 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.890 0.380 -11.577 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.448 0.584 -12.354 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.538 2.367 -10.941 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.233 2.793 -13.021 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.945 4.678 -11.522 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.640 5.104 -13.603 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.145 6.723 -13.454 1.00 0.00 H new ATOM 620 N ASP A 36 -7.772 -1.111 -10.827 1.00 0.00 N ATOM 621 CA ASP A 36 -8.229 -2.492 -10.711 1.00 0.00 C ATOM 622 C ASP A 36 -7.675 -3.347 -11.848 1.00 0.00 C ATOM 623 O ASP A 36 -7.545 -4.563 -11.716 1.00 0.00 O ATOM 624 CB ASP A 36 -9.758 -2.547 -10.716 1.00 0.00 C ATOM 625 CG ASP A 36 -10.362 -1.730 -11.841 1.00 0.00 C ATOM 626 OD1 ASP A 36 -10.052 -2.018 -13.016 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.148 -0.804 -11.548 1.00 0.00 O ATOM 0 H ASP A 36 -8.191 -0.591 -11.598 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.860 -2.892 -9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.081 -3.584 -10.809 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.135 -2.180 -9.761 1.00 0.00 H new ATOM 632 N SER A 37 -7.349 -2.702 -12.964 1.00 0.00 N ATOM 633 CA SER A 37 -6.810 -3.404 -14.122 1.00 0.00 C ATOM 634 C SER A 37 -6.148 -2.429 -15.090 1.00 0.00 C ATOM 635 O SER A 37 -6.084 -1.227 -14.829 1.00 0.00 O ATOM 636 CB SER A 37 -7.918 -4.179 -14.838 1.00 0.00 C ATOM 637 OG SER A 37 -8.172 -5.416 -14.195 1.00 0.00 O ATOM 0 H SER A 37 -7.449 -1.695 -13.090 1.00 0.00 H new ATOM 0 HA SER A 37 -6.055 -4.107 -13.769 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.830 -3.582 -14.858 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.631 -4.356 -15.874 1.00 0.00 H new ATOM 0 HG SER A 37 -7.819 -5.388 -13.281 1.00 0.00 H new ATOM 643 N GLU A 38 -5.659 -2.953 -16.209 1.00 0.00 N ATOM 644 CA GLU A 38 -5.003 -2.127 -17.216 1.00 0.00 C ATOM 645 C GLU A 38 -6.023 -1.293 -17.986 1.00 0.00 C ATOM 646 O GLU A 38 -5.720 -0.190 -18.440 1.00 0.00 O ATOM 647 CB GLU A 38 -4.209 -3.004 -18.187 1.00 0.00 C ATOM 648 CG GLU A 38 -2.892 -2.384 -18.629 1.00 0.00 C ATOM 649 CD GLU A 38 -1.687 -3.184 -18.176 1.00 0.00 C ATOM 650 OE1 GLU A 38 -1.728 -3.739 -17.057 1.00 0.00 O ATOM 651 OE2 GLU A 38 -0.701 -3.258 -18.940 1.00 0.00 O ATOM 0 H GLU A 38 -5.705 -3.945 -16.441 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.319 -1.450 -16.704 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.008 -3.965 -17.714 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.821 -3.203 -19.067 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.881 -2.302 -19.716 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.821 -1.371 -18.232 1.00 0.00 H new ATOM 658 N GLN A 39 -7.231 -1.828 -18.128 1.00 0.00 N ATOM 659 CA GLN A 39 -8.295 -1.133 -18.843 1.00 0.00 C ATOM 660 C GLN A 39 -8.694 0.147 -18.115 1.00 0.00 C ATOM 661 O GLN A 39 -8.887 1.192 -18.737 1.00 0.00 O ATOM 662 CB GLN A 39 -9.513 -2.046 -19.001 1.00 0.00 C ATOM 663 CG GLN A 39 -9.203 -3.361 -19.700 1.00 0.00 C ATOM 664 CD GLN A 39 -9.242 -4.546 -18.756 1.00 0.00 C ATOM 665 OE1 GLN A 39 -10.290 -4.882 -18.205 1.00 0.00 O ATOM 666 NE2 GLN A 39 -8.095 -5.187 -18.564 1.00 0.00 N ATOM 0 H GLN A 39 -7.498 -2.740 -17.758 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.920 -0.865 -19.831 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.928 -2.257 -18.016 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.282 -1.517 -19.564 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.921 -3.519 -20.505 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.217 -3.300 -20.160 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.250 -4.874 -19.042 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.059 -5.992 -17.939 1.00 0.00 H new ATOM 675 N ASP A 40 -8.819 0.056 -16.796 1.00 0.00 N ATOM 676 CA ASP A 40 -9.194 1.207 -15.983 1.00 0.00 C ATOM 677 C ASP A 40 -8.085 2.254 -15.975 1.00 0.00 C ATOM 678 O ASP A 40 -8.348 3.453 -15.867 1.00 0.00 O ATOM 679 CB ASP A 40 -9.509 0.767 -14.552 1.00 0.00 C ATOM 680 CG ASP A 40 -10.982 0.477 -14.348 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.580 -0.197 -15.212 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.538 0.925 -13.323 1.00 0.00 O ATOM 0 H ASP A 40 -8.666 -0.803 -16.267 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.086 1.654 -16.422 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.929 -0.125 -14.313 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.195 1.547 -13.858 1.00 0.00 H new ATOM 687 N LYS A 41 -6.843 1.795 -16.088 1.00 0.00 N ATOM 688 CA LYS A 41 -5.694 2.692 -16.094 1.00 0.00 C ATOM 689 C LYS A 41 -5.639 3.499 -17.388 1.00 0.00 C ATOM 690 O LYS A 41 -5.510 4.723 -17.363 1.00 0.00 O ATOM 691 CB LYS A 41 -4.399 1.898 -15.916 1.00 0.00 C ATOM 692 CG LYS A 41 -3.414 2.544 -14.954 1.00 0.00 C ATOM 693 CD LYS A 41 -2.783 3.791 -15.552 1.00 0.00 C ATOM 694 CE LYS A 41 -1.278 3.635 -15.712 1.00 0.00 C ATOM 695 NZ LYS A 41 -0.904 3.257 -17.103 1.00 0.00 N ATOM 0 H LYS A 41 -6.607 0.807 -16.177 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.802 3.386 -15.260 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.643 0.898 -15.556 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.920 1.779 -16.888 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.926 2.803 -14.028 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.633 1.828 -14.697 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.233 3.998 -16.523 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.995 4.649 -14.913 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.786 4.570 -15.445 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.916 2.875 -15.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.129 3.160 -17.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.353 2.352 -17.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.227 3.994 -17.762 1.00 0.00 H new ATOM 709 N GLU A 42 -5.738 2.805 -18.516 1.00 0.00 N ATOM 710 CA GLU A 42 -5.700 3.456 -19.821 1.00 0.00 C ATOM 711 C GLU A 42 -6.891 4.392 -19.998 1.00 0.00 C ATOM 712 O GLU A 42 -6.809 5.390 -20.715 1.00 0.00 O ATOM 713 CB GLU A 42 -5.689 2.409 -20.936 1.00 0.00 C ATOM 714 CG GLU A 42 -4.323 1.784 -21.168 1.00 0.00 C ATOM 715 CD GLU A 42 -3.604 2.382 -22.361 1.00 0.00 C ATOM 716 OE1 GLU A 42 -4.143 2.293 -23.485 1.00 0.00 O ATOM 717 OE2 GLU A 42 -2.502 2.938 -22.172 1.00 0.00 O ATOM 0 H GLU A 42 -5.845 1.791 -18.554 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.786 4.047 -19.878 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.403 1.622 -20.692 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.030 2.872 -21.862 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.711 1.916 -20.276 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.439 0.711 -21.319 1.00 0.00 H new ATOM 724 N GLN A 43 -8.000 4.065 -19.341 1.00 0.00 N ATOM 725 CA GLN A 43 -9.209 4.878 -19.427 1.00 0.00 C ATOM 726 C GLN A 43 -9.109 6.122 -18.544 1.00 0.00 C ATOM 727 O GLN A 43 -10.009 6.960 -18.540 1.00 0.00 O ATOM 728 CB GLN A 43 -10.430 4.051 -19.023 1.00 0.00 C ATOM 729 CG GLN A 43 -11.096 3.339 -20.190 1.00 0.00 C ATOM 730 CD GLN A 43 -12.343 4.053 -20.673 1.00 0.00 C ATOM 731 OE1 GLN A 43 -13.431 3.862 -20.131 1.00 0.00 O ATOM 732 NE2 GLN A 43 -12.191 4.882 -21.699 1.00 0.00 N ATOM 0 H GLN A 43 -8.087 3.243 -18.743 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.318 5.204 -20.461 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.128 3.311 -18.281 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.159 4.705 -18.543 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.387 3.257 -21.014 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.356 2.324 -19.891 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.270 5.011 -22.119 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.995 5.390 -22.068 1.00 0.00 H new ATOM 741 N SER A 44 -8.011 6.239 -17.797 1.00 0.00 N ATOM 742 CA SER A 44 -7.806 7.383 -16.915 1.00 0.00 C ATOM 743 C SER A 44 -8.848 7.410 -15.803 1.00 0.00 C ATOM 744 O SER A 44 -9.227 8.475 -15.317 1.00 0.00 O ATOM 745 CB SER A 44 -7.863 8.689 -17.714 1.00 0.00 C ATOM 746 OG SER A 44 -7.056 9.688 -17.114 1.00 0.00 O ATOM 0 H SER A 44 -7.253 5.557 -17.786 1.00 0.00 H new ATOM 0 HA SER A 44 -6.820 7.284 -16.461 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.526 8.510 -18.735 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.894 9.037 -17.775 1.00 0.00 H new ATOM 0 HG SER A 44 -7.108 10.511 -17.643 1.00 0.00 H new ATOM 752 N ASN A 45 -9.310 6.229 -15.402 1.00 0.00 N ATOM 753 CA ASN A 45 -10.309 6.115 -14.345 1.00 0.00 C ATOM 754 C ASN A 45 -9.729 5.402 -13.125 1.00 0.00 C ATOM 755 O ASN A 45 -9.970 4.212 -12.918 1.00 0.00 O ATOM 756 CB ASN A 45 -11.541 5.367 -14.860 1.00 0.00 C ATOM 757 CG ASN A 45 -12.836 6.063 -14.490 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.707 5.477 -13.848 1.00 0.00 O ATOM 759 ND2 ASN A 45 -12.967 7.321 -14.894 1.00 0.00 N ATOM 0 H ASN A 45 -9.008 5.337 -15.794 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.606 7.120 -14.045 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.479 5.273 -15.944 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.546 4.356 -14.452 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.816 7.841 -14.674 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.218 7.767 -15.424 1.00 0.00 H new ATOM 766 N PRO A 46 -8.953 6.123 -12.299 1.00 0.00 N ATOM 767 CA PRO A 46 -8.337 5.553 -11.097 1.00 0.00 C ATOM 768 C PRO A 46 -9.358 5.273 -9.999 1.00 0.00 C ATOM 769 O PRO A 46 -10.184 6.124 -9.673 1.00 0.00 O ATOM 770 CB PRO A 46 -7.358 6.642 -10.651 1.00 0.00 C ATOM 771 CG PRO A 46 -7.938 7.908 -11.178 1.00 0.00 C ATOM 772 CD PRO A 46 -8.613 7.549 -12.473 1.00 0.00 C ATOM 0 HA PRO A 46 -7.865 4.591 -11.298 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.265 6.671 -9.565 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.360 6.466 -11.052 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.651 8.334 -10.472 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.161 8.656 -11.337 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.502 8.156 -12.644 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.953 7.703 -13.326 1.00 0.00 H new ATOM 780 N TYR A 47 -9.291 4.073 -9.430 1.00 0.00 N ATOM 781 CA TYR A 47 -10.207 3.680 -8.366 1.00 0.00 C ATOM 782 C TYR A 47 -10.025 4.567 -7.139 1.00 0.00 C ATOM 783 O TYR A 47 -10.998 4.992 -6.516 1.00 0.00 O ATOM 784 CB TYR A 47 -9.984 2.214 -7.989 1.00 0.00 C ATOM 785 CG TYR A 47 -10.926 1.713 -6.918 1.00 0.00 C ATOM 786 CD1 TYR A 47 -10.722 2.031 -5.581 1.00 0.00 C ATOM 787 CD2 TYR A 47 -12.019 0.919 -7.245 1.00 0.00 C ATOM 788 CE1 TYR A 47 -11.581 1.571 -4.601 1.00 0.00 C ATOM 789 CE2 TYR A 47 -12.883 0.458 -6.269 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.659 0.786 -4.950 1.00 0.00 C ATOM 791 OH TYR A 47 -13.515 0.328 -3.976 1.00 0.00 O ATOM 0 H TYR A 47 -8.612 3.357 -9.688 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.226 3.802 -8.732 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.100 1.597 -8.880 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.957 2.088 -7.645 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.879 2.647 -5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.196 0.658 -8.278 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.408 1.826 -3.566 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -13.729 -0.156 -6.539 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.222 -0.210 -4.389 1.00 0.00 H new ATOM 801 N MET A 48 -8.770 4.844 -6.799 1.00 0.00 N ATOM 802 CA MET A 48 -8.455 5.681 -5.647 1.00 0.00 C ATOM 803 C MET A 48 -7.028 6.210 -5.736 1.00 0.00 C ATOM 804 O MET A 48 -6.069 5.437 -5.744 1.00 0.00 O ATOM 805 CB MET A 48 -8.640 4.892 -4.350 1.00 0.00 C ATOM 806 CG MET A 48 -8.516 5.744 -3.097 1.00 0.00 C ATOM 807 SD MET A 48 -8.170 4.765 -1.623 1.00 0.00 S ATOM 808 CE MET A 48 -6.658 3.941 -2.113 1.00 0.00 C ATOM 0 H MET A 48 -7.954 4.501 -7.306 1.00 0.00 H new ATOM 0 HA MET A 48 -9.139 6.529 -5.647 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.621 4.416 -4.360 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.899 4.094 -4.311 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.721 6.476 -3.237 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.440 6.302 -2.949 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.015 3.812 -1.242 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.896 2.965 -2.536 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.141 4.543 -2.860 1.00 0.00 H new ATOM 818 N VAL A 49 -6.893 7.530 -5.806 1.00 0.00 N ATOM 819 CA VAL A 49 -5.580 8.157 -5.899 1.00 0.00 C ATOM 820 C VAL A 49 -5.248 8.939 -4.632 1.00 0.00 C ATOM 821 O VAL A 49 -5.967 9.865 -4.255 1.00 0.00 O ATOM 822 CB VAL A 49 -5.493 9.105 -7.110 1.00 0.00 C ATOM 823 CG1 VAL A 49 -4.068 9.598 -7.303 1.00 0.00 C ATOM 824 CG2 VAL A 49 -5.999 8.411 -8.366 1.00 0.00 C ATOM 0 H VAL A 49 -7.675 8.185 -5.800 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.857 7.351 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.128 9.970 -6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.028 10.266 -8.163 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.745 10.135 -6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.409 8.747 -7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.931 9.095 -9.212 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.392 7.528 -8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.038 8.113 -8.224 1.00 0.00 H new ATOM 834 N LEU A 50 -4.152 8.560 -3.982 1.00 0.00 N ATOM 835 CA LEU A 50 -3.718 9.224 -2.759 1.00 0.00 C ATOM 836 C LEU A 50 -2.605 10.225 -3.053 1.00 0.00 C ATOM 837 O LEU A 50 -1.897 10.102 -4.051 1.00 0.00 O ATOM 838 CB LEU A 50 -3.234 8.193 -1.737 1.00 0.00 C ATOM 839 CG LEU A 50 -4.287 7.173 -1.295 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.838 5.758 -1.630 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.568 7.306 0.194 1.00 0.00 C ATOM 0 H LEU A 50 -3.548 7.795 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.570 9.763 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.385 7.656 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.870 8.721 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.210 7.377 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.600 5.049 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.691 5.668 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.901 5.542 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.319 6.573 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.650 7.131 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.937 8.309 0.406 1.00 0.00 H new ATOM 853 N ASP A 51 -2.459 11.217 -2.182 1.00 0.00 N ATOM 854 CA ASP A 51 -1.432 12.238 -2.354 1.00 0.00 C ATOM 855 C ASP A 51 -0.163 11.866 -1.591 1.00 0.00 C ATOM 856 O ASP A 51 -0.170 11.774 -0.364 1.00 0.00 O ATOM 857 CB ASP A 51 -1.948 13.596 -1.877 1.00 0.00 C ATOM 858 CG ASP A 51 -2.574 14.403 -2.998 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.370 13.829 -3.770 1.00 0.00 O ATOM 860 OD2 ASP A 51 -2.269 15.609 -3.104 1.00 0.00 O ATOM 0 H ASP A 51 -3.038 11.336 -1.351 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.192 12.302 -3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.684 13.445 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.124 14.162 -1.442 1.00 0.00 H new ATOM 865 N ILE A 52 0.925 11.656 -2.326 1.00 0.00 N ATOM 866 CA ILE A 52 2.202 11.297 -1.715 1.00 0.00 C ATOM 867 C ILE A 52 2.634 12.351 -0.698 1.00 0.00 C ATOM 868 O ILE A 52 3.301 12.039 0.289 1.00 0.00 O ATOM 869 CB ILE A 52 3.306 11.124 -2.784 1.00 0.00 C ATOM 870 CG1 ILE A 52 2.977 9.937 -3.694 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.671 10.934 -2.129 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.047 9.643 -4.723 1.00 0.00 C ATOM 0 H ILE A 52 0.949 11.728 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 52 2.061 10.345 -1.203 1.00 0.00 H new ATOM 0 HB ILE A 52 3.345 12.030 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.824 9.050 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.036 10.134 -4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.431 10.814 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.907 11.806 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.651 10.045 -1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.743 8.790 -5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.185 10.514 -5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.985 9.413 -4.217 1.00 0.00 H new ATOM 884 N ASP A 53 2.245 13.597 -0.943 1.00 0.00 N ATOM 885 CA ASP A 53 2.589 14.696 -0.047 1.00 0.00 C ATOM 886 C ASP A 53 1.771 14.626 1.240 1.00 0.00 C ATOM 887 O ASP A 53 2.203 15.107 2.288 1.00 0.00 O ATOM 888 CB ASP A 53 2.355 16.039 -0.741 1.00 0.00 C ATOM 889 CG ASP A 53 2.766 17.217 0.120 1.00 0.00 C ATOM 890 OD1 ASP A 53 3.472 16.999 1.128 1.00 0.00 O ATOM 891 OD2 ASP A 53 2.383 18.359 -0.212 1.00 0.00 O ATOM 0 H ASP A 53 1.691 13.872 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 53 3.645 14.606 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.915 16.064 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.300 16.132 -0.999 1.00 0.00 H new ATOM 896 N LYS A 54 0.588 14.024 1.153 1.00 0.00 N ATOM 897 CA LYS A 54 -0.291 13.893 2.310 1.00 0.00 C ATOM 898 C LYS A 54 0.183 12.783 3.246 1.00 0.00 C ATOM 899 O LYS A 54 -0.193 12.748 4.417 1.00 0.00 O ATOM 900 CB LYS A 54 -1.724 13.612 1.856 1.00 0.00 C ATOM 901 CG LYS A 54 -2.489 14.861 1.443 1.00 0.00 C ATOM 902 CD LYS A 54 -3.834 14.952 2.145 1.00 0.00 C ATOM 903 CE LYS A 54 -3.803 15.963 3.281 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.173 16.370 3.698 1.00 0.00 N ATOM 0 H LYS A 54 0.217 13.620 0.293 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.263 14.835 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.700 12.917 1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.262 13.118 2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.896 15.745 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.641 14.855 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.603 15.235 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.109 13.972 2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.276 15.535 4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.242 16.844 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.109 17.059 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.668 16.801 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.701 15.534 4.020 1.00 0.00 H new ATOM 918 N LEU A 55 1.008 11.877 2.725 1.00 0.00 N ATOM 919 CA LEU A 55 1.525 10.768 3.520 1.00 0.00 C ATOM 920 C LEU A 55 2.181 11.271 4.803 1.00 0.00 C ATOM 921 O LEU A 55 2.712 12.381 4.849 1.00 0.00 O ATOM 922 CB LEU A 55 2.534 9.954 2.707 1.00 0.00 C ATOM 923 CG LEU A 55 1.966 9.257 1.468 1.00 0.00 C ATOM 924 CD1 LEU A 55 2.969 8.257 0.914 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.650 8.565 1.796 1.00 0.00 C ATOM 0 H LEU A 55 1.332 11.890 1.758 1.00 0.00 H new ATOM 0 HA LEU A 55 0.684 10.130 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.341 10.616 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.976 9.199 3.358 1.00 0.00 H new ATOM 0 HG LEU A 55 1.774 10.014 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.549 7.770 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.887 8.777 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.191 7.506 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.263 8.076 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.815 7.820 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.072 9.303 2.147 1.00 0.00 H new ATOM 937 N PHE A 56 2.141 10.445 5.843 1.00 0.00 N ATOM 938 CA PHE A 56 2.732 10.803 7.128 1.00 0.00 C ATOM 939 C PHE A 56 3.915 9.898 7.454 1.00 0.00 C ATOM 940 O PHE A 56 4.939 10.358 7.957 1.00 0.00 O ATOM 941 CB PHE A 56 1.684 10.708 8.238 1.00 0.00 C ATOM 942 CG PHE A 56 0.704 11.845 8.238 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.144 13.156 8.332 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.656 11.604 8.144 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.244 14.204 8.332 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.560 12.648 8.144 1.00 0.00 C ATOM 947 CZ PHE A 56 -1.111 13.950 8.238 1.00 0.00 C ATOM 0 H PHE A 56 1.706 9.523 5.822 1.00 0.00 H new ATOM 0 HA PHE A 56 3.090 11.830 7.061 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.139 9.770 8.133 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.190 10.676 9.203 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.202 13.360 8.406 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.014 10.588 8.070 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.599 15.221 8.405 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.618 12.446 8.070 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.817 14.768 8.238 1.00 0.00 H new ATOM 957 N HIS A 57 3.767 8.609 7.165 1.00 0.00 N ATOM 958 CA HIS A 57 4.825 7.643 7.432 1.00 0.00 C ATOM 959 C HIS A 57 4.441 6.252 6.931 1.00 0.00 C ATOM 960 O HIS A 57 3.433 5.686 7.353 1.00 0.00 O ATOM 961 CB HIS A 57 5.127 7.591 8.931 1.00 0.00 C ATOM 962 CG HIS A 57 6.572 7.352 9.246 1.00 0.00 C ATOM 963 ND1 HIS A 57 7.460 6.802 8.345 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.284 7.595 10.372 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.653 6.715 8.904 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.573 7.189 10.134 1.00 0.00 N ATOM 0 H HIS A 57 2.926 8.211 6.747 1.00 0.00 H new ATOM 0 HA HIS A 57 5.718 7.965 6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.815 8.530 9.388 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.530 6.801 9.386 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.907 8.028 11.287 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.543 6.323 8.435 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.344 7.244 10.799 1.00 0.00 H new ATOM 975 N VAL A 58 5.258 5.706 6.036 1.00 0.00 N ATOM 976 CA VAL A 58 5.015 4.379 5.483 1.00 0.00 C ATOM 977 C VAL A 58 6.120 3.415 5.905 1.00 0.00 C ATOM 978 O VAL A 58 7.274 3.567 5.507 1.00 0.00 O ATOM 979 CB VAL A 58 4.924 4.416 3.942 1.00 0.00 C ATOM 980 CG1 VAL A 58 6.092 5.194 3.356 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.867 3.006 3.366 1.00 0.00 C ATOM 0 H VAL A 58 6.096 6.164 5.678 1.00 0.00 H new ATOM 0 HA VAL A 58 4.059 4.032 5.876 1.00 0.00 H new ATOM 0 HB VAL A 58 4.001 4.927 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.010 5.209 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.075 6.216 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.028 4.716 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.803 3.059 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.767 2.460 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.990 2.489 3.756 1.00 0.00 H new ATOM 991 N ARG A 59 5.759 2.429 6.719 1.00 0.00 N ATOM 992 CA ARG A 59 6.723 1.446 7.202 1.00 0.00 C ATOM 993 C ARG A 59 6.138 0.037 7.147 1.00 0.00 C ATOM 994 O ARG A 59 4.921 -0.142 7.188 1.00 0.00 O ATOM 995 CB ARG A 59 7.140 1.778 8.638 1.00 0.00 C ATOM 996 CG ARG A 59 7.687 3.186 8.808 1.00 0.00 C ATOM 997 CD ARG A 59 9.204 3.188 8.901 1.00 0.00 C ATOM 998 NE ARG A 59 9.832 2.900 7.614 1.00 0.00 N ATOM 999 CZ ARG A 59 11.100 3.188 7.327 1.00 0.00 C ATOM 1000 NH1 ARG A 59 11.877 3.771 8.233 1.00 0.00 N ATOM 1001 NH2 ARG A 59 11.594 2.891 6.133 1.00 0.00 N ATOM 0 H ARG A 59 4.807 2.289 7.058 1.00 0.00 H new ATOM 0 HA ARG A 59 7.599 1.483 6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.280 1.651 9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.896 1.063 8.961 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.372 3.803 7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.266 3.635 9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.544 4.159 9.261 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.523 2.447 9.634 1.00 0.00 H new ATOM 0 HE ARG A 59 9.266 2.452 6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.503 4.000 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.848 3.989 8.008 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.003 2.442 5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.565 3.112 5.914 1.00 0.00 H new ATOM 1015 N PRO A 60 7.004 -0.988 7.060 1.00 0.00 N ATOM 1016 CA PRO A 60 6.566 -2.387 7.007 1.00 0.00 C ATOM 1017 C PRO A 60 5.765 -2.782 8.242 1.00 0.00 C ATOM 1018 O PRO A 60 5.976 -2.243 9.329 1.00 0.00 O ATOM 1019 CB PRO A 60 7.877 -3.182 6.941 1.00 0.00 C ATOM 1020 CG PRO A 60 8.929 -2.240 7.418 1.00 0.00 C ATOM 1021 CD PRO A 60 8.469 -0.870 7.013 1.00 0.00 C ATOM 0 HA PRO A 60 5.905 -2.573 6.160 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.830 -4.071 7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.082 -3.520 5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.052 -2.307 8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.895 -2.475 6.972 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.835 -0.103 7.696 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.821 -0.604 6.016 1.00 0.00 H new ATOM 1029 N VAL A 61 4.844 -3.724 8.072 1.00 0.00 N ATOM 1030 CA VAL A 61 4.013 -4.185 9.179 1.00 0.00 C ATOM 1031 C VAL A 61 4.616 -5.419 9.839 1.00 0.00 C ATOM 1032 O VAL A 61 5.544 -6.029 9.308 1.00 0.00 O ATOM 1033 CB VAL A 61 2.578 -4.505 8.715 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.932 -3.277 8.094 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.573 -5.673 7.737 1.00 0.00 C ATOM 0 H VAL A 61 4.654 -4.183 7.181 1.00 0.00 H new ATOM 0 HA VAL A 61 3.973 -3.373 9.905 1.00 0.00 H new ATOM 0 HB VAL A 61 1.993 -4.795 9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.920 -3.522 7.772 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.895 -2.474 8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.518 -2.954 7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.550 -5.881 7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.176 -5.420 6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.990 -6.556 8.222 1.00 0.00 H new ATOM 1045 N THR A 62 4.083 -5.783 11.000 1.00 0.00 N ATOM 1046 CA THR A 62 4.569 -6.945 11.734 1.00 0.00 C ATOM 1047 C THR A 62 3.437 -7.927 12.014 1.00 0.00 C ATOM 1048 O THR A 62 2.318 -7.752 11.531 1.00 0.00 O ATOM 1049 CB THR A 62 5.220 -6.509 13.047 1.00 0.00 C ATOM 1050 OG1 THR A 62 4.238 -6.094 13.980 1.00 0.00 O ATOM 1051 CG2 THR A 62 6.203 -5.370 12.879 1.00 0.00 C ATOM 0 H THR A 62 3.314 -5.290 11.453 1.00 0.00 H new ATOM 0 HA THR A 62 5.314 -7.447 11.117 1.00 0.00 H new ATOM 0 HB THR A 62 5.761 -7.385 13.405 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.674 -5.820 14.814 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.628 -5.110 13.849 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.001 -5.675 12.203 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.688 -4.503 12.465 1.00 0.00 H new ATOM 1059 N GLN A 63 3.735 -8.956 12.798 1.00 0.00 N ATOM 1060 CA GLN A 63 2.743 -9.967 13.145 1.00 0.00 C ATOM 1061 C GLN A 63 1.580 -9.357 13.926 1.00 0.00 C ATOM 1062 O GLN A 63 0.509 -9.954 14.023 1.00 0.00 O ATOM 1063 CB GLN A 63 3.389 -11.085 13.965 1.00 0.00 C ATOM 1064 CG GLN A 63 2.497 -12.302 14.142 1.00 0.00 C ATOM 1065 CD GLN A 63 2.616 -13.285 12.995 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.514 -14.127 12.974 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.708 -13.183 12.030 1.00 0.00 N ATOM 0 H GLN A 63 4.657 -9.113 13.206 1.00 0.00 H new ATOM 0 HA GLN A 63 2.351 -10.382 12.216 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.316 -11.391 13.480 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.657 -10.696 14.947 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.755 -12.804 15.074 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.460 -11.978 14.231 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.981 -12.470 12.087 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.738 -13.817 11.232 1.00 0.00 H new ATOM 1076 N THR A 64 1.797 -8.168 14.483 1.00 0.00 N ATOM 1077 CA THR A 64 0.762 -7.488 15.255 1.00 0.00 C ATOM 1078 C THR A 64 -0.291 -6.868 14.340 1.00 0.00 C ATOM 1079 O THR A 64 -1.437 -6.669 14.745 1.00 0.00 O ATOM 1080 CB THR A 64 1.387 -6.406 16.137 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.910 -5.354 15.346 1.00 0.00 O ATOM 1082 CG2 THR A 64 2.509 -6.922 17.013 1.00 0.00 C ATOM 0 H THR A 64 2.677 -7.657 14.414 1.00 0.00 H new ATOM 0 HA THR A 64 0.272 -8.229 15.886 1.00 0.00 H new ATOM 0 HB THR A 64 0.579 -6.054 16.778 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.722 -5.660 14.890 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.908 -6.104 17.613 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.127 -7.702 17.672 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.301 -7.332 16.386 1.00 0.00 H new ATOM 1090 N ASP A 65 0.104 -6.557 13.108 1.00 0.00 N ATOM 1091 CA ASP A 65 -0.808 -5.955 12.143 1.00 0.00 C ATOM 1092 C ASP A 65 -1.907 -6.934 11.737 1.00 0.00 C ATOM 1093 O ASP A 65 -3.018 -6.527 11.398 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.036 -5.490 10.905 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.312 -4.040 10.562 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.444 -3.739 10.128 1.00 0.00 O ATOM 1097 OD2 ASP A 65 0.600 -3.205 10.729 1.00 0.00 O ATOM 0 H ASP A 65 1.049 -6.712 12.756 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.279 -5.093 12.617 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.032 -5.623 11.075 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.304 -6.119 10.056 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.589 -8.223 11.773 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.550 -9.256 11.407 1.00 0.00 C ATOM 1104 C VAL A 66 -2.543 -10.392 12.423 1.00 0.00 C ATOM 1105 O VAL A 66 -1.833 -10.338 13.425 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.254 -9.829 10.006 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.809 -8.912 8.928 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.760 -10.039 9.818 1.00 0.00 C ATOM 0 H VAL A 66 -0.674 -8.577 12.052 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.534 -8.787 11.396 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.747 -10.797 9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.591 -9.332 7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.888 -8.817 9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.346 -7.929 9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.572 -10.444 8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.242 -9.086 9.926 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.393 -10.738 10.570 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.340 -11.421 12.156 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.423 -12.571 13.048 1.00 0.00 C ATOM 1120 C TYR A 67 -3.647 -13.855 12.257 1.00 0.00 C ATOM 1121 O TYR A 67 -2.934 -14.841 12.442 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.553 -12.376 14.061 1.00 0.00 C ATOM 1123 CG TYR A 67 -5.876 -11.998 13.434 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.067 -10.741 12.873 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -6.933 -12.898 13.402 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.276 -10.392 12.301 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.144 -12.556 12.830 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.310 -11.303 12.282 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.514 -10.960 11.712 1.00 0.00 O ATOM 0 H TYR A 67 -3.936 -11.482 11.331 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.477 -12.656 13.583 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.681 -13.297 14.630 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.263 -11.601 14.770 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.258 -10.026 12.884 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.807 -13.881 13.831 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.410 -9.410 11.871 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.956 -13.268 12.813 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.135 -11.715 11.780 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.639 -13.837 11.373 1.00 0.00 N ATOM 1140 CA ARG A 68 -4.952 -15.001 10.552 1.00 0.00 C ATOM 1141 C ARG A 68 -3.895 -15.204 9.470 1.00 0.00 C ATOM 1142 O ARG A 68 -3.699 -16.317 8.981 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.335 -14.844 9.912 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.402 -13.747 8.859 1.00 0.00 C ATOM 1145 CD ARG A 68 -7.250 -12.574 9.323 1.00 0.00 C ATOM 1146 NE ARG A 68 -6.751 -11.300 8.809 1.00 0.00 N ATOM 1147 CZ ARG A 68 -7.484 -10.192 8.731 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -8.749 -10.194 9.133 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -6.951 -9.077 8.249 1.00 0.00 N ATOM 0 H ARG A 68 -5.240 -13.030 11.207 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.957 -15.879 11.197 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.624 -15.791 9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.065 -14.630 10.693 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.394 -13.400 8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.816 -14.153 7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.279 -12.719 8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.263 -12.545 10.413 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.783 -11.258 8.491 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.165 -11.048 9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.305 -9.341 9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.980 -9.069 7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.513 -8.228 8.189 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.217 -14.121 9.100 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.180 -14.180 8.076 1.00 0.00 C ATOM 1165 C ALA A 69 -1.085 -15.173 8.452 1.00 0.00 C ATOM 1166 O ALA A 69 -1.176 -15.859 9.470 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.587 -12.797 7.853 1.00 0.00 C ATOM 0 H ALA A 69 -3.368 -13.192 9.494 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.638 -14.525 7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.814 -12.852 7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.371 -12.113 7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.151 -12.434 8.783 1.00 0.00 H new ATOM 1173 N ASP A 70 -0.048 -15.243 7.623 1.00 0.00 N ATOM 1174 CA ASP A 70 1.067 -16.149 7.864 1.00 0.00 C ATOM 1175 C ASP A 70 2.358 -15.374 8.098 1.00 0.00 C ATOM 1176 O ASP A 70 2.636 -14.391 7.412 1.00 0.00 O ATOM 1177 CB ASP A 70 1.240 -17.106 6.683 1.00 0.00 C ATOM 1178 CG ASP A 70 2.205 -18.234 6.990 1.00 0.00 C ATOM 1179 OD1 ASP A 70 3.380 -17.943 7.300 1.00 0.00 O ATOM 1180 OD2 ASP A 70 1.788 -19.409 6.919 1.00 0.00 O ATOM 0 H ASP A 70 0.042 -14.681 6.777 1.00 0.00 H new ATOM 0 HA ASP A 70 0.844 -16.727 8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.270 -17.524 6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.599 -16.549 5.817 1.00 0.00 H new ATOM 1185 N ALA A 71 3.142 -15.826 9.074 1.00 0.00 N ATOM 1186 CA ALA A 71 4.408 -15.181 9.412 1.00 0.00 C ATOM 1187 C ALA A 71 5.267 -14.930 8.174 1.00 0.00 C ATOM 1188 O ALA A 71 6.106 -14.032 8.163 1.00 0.00 O ATOM 1189 CB ALA A 71 5.172 -16.027 10.419 1.00 0.00 C ATOM 0 H ALA A 71 2.921 -16.640 9.647 1.00 0.00 H new ATOM 0 HA ALA A 71 4.178 -14.211 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.114 -15.538 10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.576 -16.142 11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.374 -17.009 9.991 1.00 0.00 H new ATOM 1195 N LYS A 72 5.056 -15.733 7.135 1.00 0.00 N ATOM 1196 CA LYS A 72 5.820 -15.598 5.899 1.00 0.00 C ATOM 1197 C LYS A 72 5.431 -14.333 5.136 1.00 0.00 C ATOM 1198 O LYS A 72 6.288 -13.650 4.576 1.00 0.00 O ATOM 1199 CB LYS A 72 5.606 -16.825 5.010 1.00 0.00 C ATOM 1200 CG LYS A 72 5.988 -18.134 5.679 1.00 0.00 C ATOM 1201 CD LYS A 72 7.497 -18.277 5.804 1.00 0.00 C ATOM 1202 CE LYS A 72 7.885 -18.945 7.112 1.00 0.00 C ATOM 1203 NZ LYS A 72 7.483 -18.132 8.293 1.00 0.00 N ATOM 0 H LYS A 72 4.364 -16.482 7.124 1.00 0.00 H new ATOM 0 HA LYS A 72 6.874 -15.522 6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.558 -16.870 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.191 -16.709 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.534 -18.184 6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.589 -18.968 5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.879 -18.863 4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.963 -17.294 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.416 -19.927 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.963 -19.105 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.148 -18.302 9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.496 -17.123 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.524 -18.402 8.590 1.00 0.00 H new ATOM 1217 N GLU A 73 4.137 -14.030 5.108 1.00 0.00 N ATOM 1218 CA GLU A 73 3.643 -12.851 4.402 1.00 0.00 C ATOM 1219 C GLU A 73 3.839 -11.578 5.222 1.00 0.00 C ATOM 1220 O GLU A 73 3.975 -10.489 4.664 1.00 0.00 O ATOM 1221 CB GLU A 73 2.166 -13.023 4.048 1.00 0.00 C ATOM 1222 CG GLU A 73 1.280 -13.305 5.248 1.00 0.00 C ATOM 1223 CD GLU A 73 -0.185 -13.031 4.968 1.00 0.00 C ATOM 1224 OE1 GLU A 73 -0.853 -13.912 4.387 1.00 0.00 O ATOM 1225 OE2 GLU A 73 -0.663 -11.935 5.328 1.00 0.00 O ATOM 0 H GLU A 73 3.412 -14.583 5.565 1.00 0.00 H new ATOM 0 HA GLU A 73 4.224 -12.751 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.813 -12.119 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.065 -13.840 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.400 -14.346 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.606 -12.692 6.088 1.00 0.00 H new ATOM 1232 N ILE A 74 3.847 -11.717 6.546 1.00 0.00 N ATOM 1233 CA ILE A 74 4.020 -10.569 7.435 1.00 0.00 C ATOM 1234 C ILE A 74 5.160 -9.658 6.973 1.00 0.00 C ATOM 1235 O ILE A 74 4.976 -8.447 6.845 1.00 0.00 O ATOM 1236 CB ILE A 74 4.284 -11.010 8.891 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.206 -11.994 9.356 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.331 -9.800 9.813 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.793 -11.491 9.148 1.00 0.00 C ATOM 0 H ILE A 74 3.736 -12.610 7.026 1.00 0.00 H new ATOM 0 HA ILE A 74 3.084 -10.011 7.396 1.00 0.00 H new ATOM 0 HB ILE A 74 5.251 -11.512 8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.330 -12.935 8.820 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.354 -12.208 10.414 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.518 -10.129 10.835 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.131 -9.131 9.495 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.378 -9.273 9.770 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.084 -12.241 9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.650 -10.566 9.706 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.626 -11.304 8.087 1.00 0.00 H new ATOM 1251 N PRO A 75 6.356 -10.220 6.713 1.00 0.00 N ATOM 1252 CA PRO A 75 7.510 -9.432 6.265 1.00 0.00 C ATOM 1253 C PRO A 75 7.330 -8.880 4.851 1.00 0.00 C ATOM 1254 O PRO A 75 8.123 -8.059 4.393 1.00 0.00 O ATOM 1255 CB PRO A 75 8.666 -10.434 6.303 1.00 0.00 C ATOM 1256 CG PRO A 75 8.018 -11.766 6.154 1.00 0.00 C ATOM 1257 CD PRO A 75 6.682 -11.654 6.835 1.00 0.00 C ATOM 0 HA PRO A 75 7.667 -8.555 6.893 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.378 -10.248 5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.219 -10.365 7.240 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.899 -12.027 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.624 -12.548 6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.931 -12.279 6.352 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.735 -11.967 7.878 1.00 0.00 H new ATOM 1265 N ARG A 76 6.284 -9.335 4.163 1.00 0.00 N ATOM 1266 CA ARG A 76 6.011 -8.880 2.803 1.00 0.00 C ATOM 1267 C ARG A 76 4.868 -7.864 2.772 1.00 0.00 C ATOM 1268 O ARG A 76 4.453 -7.422 1.701 1.00 0.00 O ATOM 1269 CB ARG A 76 5.668 -10.071 1.906 1.00 0.00 C ATOM 1270 CG ARG A 76 6.718 -11.169 1.923 1.00 0.00 C ATOM 1271 CD ARG A 76 6.426 -12.231 0.874 1.00 0.00 C ATOM 1272 NE ARG A 76 5.668 -13.353 1.426 1.00 0.00 N ATOM 1273 CZ ARG A 76 4.957 -14.202 0.687 1.00 0.00 C ATOM 1274 NH1 ARG A 76 4.911 -14.069 -0.632 1.00 0.00 N ATOM 1275 NH2 ARG A 76 4.290 -15.189 1.271 1.00 0.00 N ATOM 0 H ARG A 76 5.615 -10.015 4.524 1.00 0.00 H new ATOM 0 HA ARG A 76 6.911 -8.391 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.712 -10.489 2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.539 -9.719 0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.702 -10.737 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.749 -11.629 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.866 -11.785 0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.365 -12.597 0.458 1.00 0.00 H new ATOM 0 HE ARG A 76 5.685 -13.493 2.436 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.422 -13.313 -1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.364 -14.723 -1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.322 -15.297 2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.745 -15.840 0.706 1.00 0.00 H new ATOM 1289 N ILE A 77 4.359 -7.500 3.946 1.00 0.00 N ATOM 1290 CA ILE A 77 3.263 -6.541 4.038 1.00 0.00 C ATOM 1291 C ILE A 77 3.719 -5.242 4.695 1.00 0.00 C ATOM 1292 O ILE A 77 4.390 -5.259 5.726 1.00 0.00 O ATOM 1293 CB ILE A 77 2.078 -7.124 4.835 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.638 -8.457 4.227 1.00 0.00 C ATOM 1295 CG2 ILE A 77 0.915 -6.139 4.868 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.879 -9.346 5.188 1.00 0.00 C ATOM 0 H ILE A 77 4.687 -7.854 4.845 1.00 0.00 H new ATOM 0 HA ILE A 77 2.938 -6.329 3.019 1.00 0.00 H new ATOM 0 HB ILE A 77 2.402 -7.300 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.011 -8.260 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.519 -8.991 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.090 -6.570 5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.237 -5.212 5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.586 -5.930 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.601 -10.272 4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.510 -9.575 6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.021 -8.832 5.525 1.00 0.00 H new ATOM 1308 N PHE A 78 3.347 -4.116 4.092 1.00 0.00 N ATOM 1309 CA PHE A 78 3.714 -2.809 4.623 1.00 0.00 C ATOM 1310 C PHE A 78 2.478 -1.935 4.818 1.00 0.00 C ATOM 1311 O PHE A 78 1.409 -2.227 4.283 1.00 0.00 O ATOM 1312 CB PHE A 78 4.712 -2.110 3.696 1.00 0.00 C ATOM 1313 CG PHE A 78 4.320 -2.138 2.245 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.566 -3.259 1.466 1.00 0.00 C ATOM 1315 CD2 PHE A 78 3.709 -1.041 1.658 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.210 -3.283 0.130 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.353 -1.059 0.324 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.604 -2.181 -0.442 1.00 0.00 C ATOM 0 H PHE A 78 2.792 -4.084 3.237 1.00 0.00 H new ATOM 0 HA PHE A 78 4.186 -2.962 5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.821 -1.073 4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.688 -2.582 3.807 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.041 -4.123 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.509 -0.161 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.405 -4.162 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.879 -0.196 -0.120 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.327 -2.197 -1.486 1.00 0.00 H new ATOM 1328 N GLN A 79 2.631 -0.866 5.595 1.00 0.00 N ATOM 1329 CA GLN A 79 1.526 0.044 5.868 1.00 0.00 C ATOM 1330 C GLN A 79 1.898 1.484 5.523 1.00 0.00 C ATOM 1331 O GLN A 79 3.010 1.935 5.802 1.00 0.00 O ATOM 1332 CB GLN A 79 1.119 -0.052 7.340 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.038 0.859 7.714 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.256 0.937 9.213 1.00 0.00 C ATOM 1335 OE1 GLN A 79 0.359 1.755 9.899 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -1.134 0.085 9.729 1.00 0.00 N ATOM 0 H GLN A 79 3.509 -0.610 6.046 1.00 0.00 H new ATOM 0 HA GLN A 79 0.684 -0.249 5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.846 -1.083 7.566 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.979 0.194 7.963 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.152 1.860 7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.949 0.499 7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.621 -0.576 9.123 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.322 0.091 10.732 1.00 0.00 H new ATOM 1345 N ILE A 80 0.954 2.201 4.917 1.00 0.00 N ATOM 1346 CA ILE A 80 1.174 3.591 4.532 1.00 0.00 C ATOM 1347 C ILE A 80 0.136 4.509 5.169 1.00 0.00 C ATOM 1348 O ILE A 80 -1.055 4.405 4.882 1.00 0.00 O ATOM 1349 CB ILE A 80 1.116 3.767 3.001 1.00 0.00 C ATOM 1350 CG1 ILE A 80 1.957 2.693 2.306 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.587 5.160 2.609 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.130 1.667 1.563 1.00 0.00 C ATOM 0 H ILE A 80 0.029 1.841 4.682 1.00 0.00 H new ATOM 0 HA ILE A 80 2.168 3.862 4.888 1.00 0.00 H new ATOM 0 HB ILE A 80 0.082 3.652 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.640 3.174 1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.570 2.184 3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.540 5.268 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.945 5.906 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.614 5.304 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.790 0.937 1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.466 1.159 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.537 2.164 0.795 1.00 0.00 H new ATOM 1364 N LEU A 81 0.595 5.412 6.030 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.298 6.349 6.702 1.00 0.00 C ATOM 1366 C LEU A 81 -0.485 7.613 5.869 1.00 0.00 C ATOM 1367 O LEU A 81 0.465 8.125 5.278 1.00 0.00 O ATOM 1368 CB LEU A 81 0.249 6.712 8.084 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.659 7.619 8.918 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -1.739 6.801 9.608 1.00 0.00 C ATOM 1371 CD2 LEU A 81 0.158 8.396 9.940 1.00 0.00 C ATOM 0 H LEU A 81 1.579 5.515 6.278 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.267 5.865 6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.429 5.792 8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.214 7.204 7.959 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.142 8.332 8.250 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.376 7.462 10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.342 6.289 8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.275 6.065 10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.503 9.036 10.524 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.668 7.698 10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.896 9.011 9.424 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.716 8.111 5.830 1.00 0.00 N ATOM 1384 CA TYR A 82 -2.029 9.316 5.071 1.00 0.00 C ATOM 1385 C TYR A 82 -3.197 10.066 5.701 1.00 0.00 C ATOM 1386 O TYR A 82 -4.112 9.458 6.257 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.366 8.956 3.623 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.318 7.789 3.499 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.895 6.495 3.771 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.638 7.982 3.114 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.761 5.425 3.662 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.511 6.917 3.002 1.00 0.00 C ATOM 1393 CZ TYR A 82 -5.067 5.640 3.277 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.932 4.576 3.167 1.00 0.00 O ATOM 0 H TYR A 82 -2.513 7.699 6.315 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.152 9.963 5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.804 9.826 3.133 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.444 8.721 3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.872 6.322 4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.988 8.981 2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.417 4.424 3.877 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.535 7.083 2.701 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.521 4.712 2.396 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.160 11.391 5.611 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.217 12.223 6.172 1.00 0.00 C ATOM 1406 C ALA A 83 -5.502 12.099 5.360 1.00 0.00 C ATOM 1407 O ALA A 83 -5.518 12.371 4.159 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.767 13.675 6.236 1.00 0.00 C ATOM 0 H ALA A 83 -2.410 11.911 5.155 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.423 11.874 7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.566 14.285 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.880 13.754 6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.532 14.028 5.232 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.578 11.686 6.022 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.868 11.527 5.361 1.00 0.00 C ATOM 1416 C ASN A 84 -8.757 12.740 5.614 1.00 0.00 C ATOM 1417 O ASN A 84 -9.419 13.242 4.704 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.560 10.248 5.847 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.207 10.409 7.211 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -8.461 10.093 8.261 1.00 0.00 O flip ATOM 1421 ND2 ASN A 84 -10.365 10.813 7.317 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.582 11.455 7.016 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.696 11.446 4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.319 9.954 5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.830 9.440 5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.903 11.045 6.482 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.787 10.916 8.240 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.767 13.205 6.859 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.572 14.358 7.243 1.00 0.00 C ATOM 1430 C GLU A 85 -8.697 15.451 7.848 1.00 0.00 C ATOM 1431 O GLU A 85 -8.880 16.635 7.565 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.653 13.941 8.240 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.949 13.497 7.580 1.00 0.00 C ATOM 1434 CD GLU A 85 -13.110 13.443 8.553 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -13.306 12.384 9.186 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.825 14.459 8.681 1.00 0.00 O ATOM 0 H GLU A 85 -8.224 12.799 7.621 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.050 14.754 6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.272 13.128 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.862 14.777 8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.192 14.182 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.807 12.512 7.135 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.745 15.044 8.681 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.854 15.998 9.313 1.00 0.00 C ATOM 1445 C GLY A 86 -5.473 15.426 9.562 1.00 0.00 C ATOM 1446 O GLY A 86 -4.637 15.390 8.660 1.00 0.00 O ATOM 0 H GLY A 86 -7.575 14.069 8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.769 16.883 8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.286 16.321 10.260 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.232 14.977 10.790 1.00 0.00 N ATOM 1451 CA ILE A 87 -3.942 14.403 11.154 1.00 0.00 C ATOM 1452 C ILE A 87 -4.118 13.146 11.998 1.00 0.00 C ATOM 1453 O ILE A 87 -3.772 12.044 11.572 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.072 15.408 11.938 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.303 16.833 11.431 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.601 15.034 11.827 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.416 17.560 12.154 1.00 0.00 C ATOM 0 H ILE A 87 -5.913 15.000 11.549 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.440 14.150 10.220 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.362 15.368 12.988 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.379 17.402 11.538 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.535 16.798 10.366 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.000 15.752 12.385 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.447 14.036 12.237 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.301 15.046 10.779 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.523 18.563 11.742 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.351 17.014 12.026 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.177 17.627 13.215 1.00 0.00 H new ATOM 1469 N SER A 88 -4.656 13.321 13.200 1.00 0.00 N ATOM 1470 CA SER A 88 -4.880 12.204 14.111 1.00 0.00 C ATOM 1471 C SER A 88 -5.799 11.159 13.487 1.00 0.00 C ATOM 1472 O SER A 88 -5.677 9.966 13.764 1.00 0.00 O ATOM 1473 CB SER A 88 -5.477 12.704 15.427 1.00 0.00 C ATOM 1474 OG SER A 88 -5.557 11.661 16.382 1.00 0.00 O ATOM 0 H SER A 88 -4.946 14.228 13.567 1.00 0.00 H new ATOM 0 HA SER A 88 -3.916 11.736 14.310 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.866 13.516 15.821 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.471 13.112 15.246 1.00 0.00 H new ATOM 0 HG SER A 88 -5.941 12.008 17.214 1.00 0.00 H new ATOM 1480 N SER A 89 -6.722 11.613 12.645 1.00 0.00 N ATOM 1481 CA SER A 89 -7.663 10.712 11.986 1.00 0.00 C ATOM 1482 C SER A 89 -7.011 9.990 10.810 1.00 0.00 C ATOM 1483 O SER A 89 -7.508 8.960 10.357 1.00 0.00 O ATOM 1484 CB SER A 89 -8.891 11.486 11.503 1.00 0.00 C ATOM 1485 OG SER A 89 -9.644 11.983 12.597 1.00 0.00 O ATOM 0 H SER A 89 -6.839 12.597 12.403 1.00 0.00 H new ATOM 0 HA SER A 89 -7.972 9.964 12.716 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.576 12.314 10.868 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.517 10.836 10.892 1.00 0.00 H new ATOM 0 HG SER A 89 -10.422 12.475 12.262 1.00 0.00 H new ATOM 1491 N ALA A 90 -5.899 10.540 10.317 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.174 9.957 9.187 1.00 0.00 C ATOM 1493 C ALA A 90 -5.169 8.430 9.242 1.00 0.00 C ATOM 1494 O ALA A 90 -4.662 7.832 10.191 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.749 10.486 9.154 1.00 0.00 C ATOM 0 H ALA A 90 -5.479 11.393 10.686 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.691 10.251 8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.217 10.047 8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.766 11.571 9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.241 10.220 10.081 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.745 7.809 8.218 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.815 6.354 8.144 1.00 0.00 C ATOM 1503 C LYS A 91 -4.561 5.779 7.496 1.00 0.00 C ATOM 1504 O LYS A 91 -3.636 6.514 7.151 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.054 5.922 7.356 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.349 6.518 7.882 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.602 6.116 9.327 1.00 0.00 C ATOM 1508 CE LYS A 91 -10.053 5.722 9.552 1.00 0.00 C ATOM 1509 NZ LYS A 91 -10.918 6.910 9.791 1.00 0.00 N ATOM 0 H LYS A 91 -6.171 8.292 7.427 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.885 5.967 9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.929 6.210 6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.128 4.835 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.307 7.605 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.181 6.188 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.952 5.282 9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.343 6.944 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.420 5.174 8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.118 5.047 10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.900 6.600 9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.584 7.419 10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.876 7.542 8.966 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.537 4.461 7.337 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.394 3.785 6.732 1.00 0.00 C ATOM 1525 C ASN A 92 -3.845 2.783 5.674 1.00 0.00 C ATOM 1526 O ASN A 92 -5.015 2.406 5.619 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.563 3.073 7.804 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.414 2.505 8.925 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -3.234 2.854 10.093 1.00 0.00 O ATOM 1530 ND2 ASN A 92 -4.345 1.624 8.577 1.00 0.00 N ATOM 0 H ASN A 92 -5.295 3.839 7.618 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.777 4.542 6.248 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.995 2.266 7.341 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.840 3.773 8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.945 1.208 9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.460 1.363 7.598 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.906 2.356 4.834 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.202 1.397 3.776 1.00 0.00 C ATOM 1539 C LEU A 93 -2.310 0.165 3.894 1.00 0.00 C ATOM 1540 O LEU A 93 -1.089 0.280 4.000 1.00 0.00 O ATOM 1541 CB LEU A 93 -3.017 2.045 2.400 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.129 1.752 1.389 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.563 3.028 0.683 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.670 0.710 0.378 1.00 0.00 C ATOM 0 H LEU A 93 -1.933 2.660 4.866 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.241 1.085 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.942 3.124 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.069 1.708 1.981 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.987 1.352 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.354 2.798 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.934 3.742 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.712 3.459 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.473 0.514 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.795 1.082 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.413 -0.213 0.898 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.926 -1.013 3.876 1.00 0.00 N ATOM 1557 CA LEU A 94 -2.187 -2.264 3.979 1.00 0.00 C ATOM 1558 C LEU A 94 -2.004 -2.900 2.606 1.00 0.00 C ATOM 1559 O LEU A 94 -2.978 -3.166 1.901 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.913 -3.233 4.914 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.773 -2.923 6.405 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.382 -3.290 6.899 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -3.066 -1.453 6.671 1.00 0.00 C ATOM 0 H LEU A 94 -3.936 -1.126 3.791 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.202 -2.045 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.972 -3.236 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.538 -4.240 4.731 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.499 -3.524 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.302 -3.062 7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.209 -4.355 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.637 -2.716 6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.962 -1.248 7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.363 -0.835 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.083 -1.222 6.355 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.752 -3.131 2.227 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.448 -3.724 0.931 1.00 0.00 C ATOM 1577 C LEU A 95 0.515 -4.898 1.071 1.00 0.00 C ATOM 1578 O LEU A 95 1.645 -4.739 1.531 1.00 0.00 O ATOM 1579 CB LEU A 95 0.149 -2.666 0.004 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.736 -1.437 -0.225 1.00 0.00 C ATOM 1581 CD1 LEU A 95 -0.118 -0.530 -1.273 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -2.140 -1.856 -0.637 1.00 0.00 C ATOM 0 H LEU A 95 0.066 -2.917 2.797 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.377 -4.100 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.102 -2.337 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.362 -3.127 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.808 -0.883 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.758 0.339 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.865 -0.202 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.017 -1.075 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.753 -0.969 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.091 -2.432 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.583 -2.468 0.149 1.00 0.00 H new ATOM 1594 N LEU A 96 0.060 -6.077 0.659 1.00 0.00 N ATOM 1595 CA LEU A 96 0.878 -7.282 0.725 1.00 0.00 C ATOM 1596 C LEU A 96 1.675 -7.454 -0.565 1.00 0.00 C ATOM 1597 O LEU A 96 1.126 -7.352 -1.663 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.011 -8.509 0.974 1.00 0.00 C ATOM 1599 CG LEU A 96 0.642 -9.869 0.700 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.554 -10.267 1.851 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.421 -10.932 0.470 1.00 0.00 C ATOM 0 H LEU A 96 -0.874 -6.223 0.275 1.00 0.00 H new ATOM 0 HA LEU A 96 1.580 -7.185 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.344 -8.489 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.902 -8.422 0.352 1.00 0.00 H new ATOM 0 HG LEU A 96 1.247 -9.784 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.008 -11.235 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.337 -9.518 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.972 -10.334 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.059 -11.891 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.051 -11.014 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.034 -10.654 -0.387 1.00 0.00 H new ATOM 1613 N ALA A 97 2.969 -7.714 -0.427 1.00 0.00 N ATOM 1614 CA ALA A 97 3.836 -7.899 -1.584 1.00 0.00 C ATOM 1615 C ALA A 97 4.093 -9.378 -1.849 1.00 0.00 C ATOM 1616 O ALA A 97 4.336 -10.153 -0.924 1.00 0.00 O ATOM 1617 CB ALA A 97 5.152 -7.161 -1.378 1.00 0.00 C ATOM 0 H ALA A 97 3.441 -7.801 0.473 1.00 0.00 H new ATOM 0 HA ALA A 97 3.330 -7.485 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.791 -7.307 -2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.956 -6.097 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.653 -7.550 -0.491 1.00 0.00 H new ATOM 1623 N ASN A 98 4.037 -9.763 -3.120 1.00 0.00 N ATOM 1624 CA ASN A 98 4.266 -11.151 -3.511 1.00 0.00 C ATOM 1625 C ASN A 98 5.612 -11.646 -2.991 1.00 0.00 C ATOM 1626 O ASN A 98 5.791 -12.837 -2.734 1.00 0.00 O ATOM 1627 CB ASN A 98 4.213 -11.295 -5.034 1.00 0.00 C ATOM 1628 CG ASN A 98 3.042 -10.553 -5.647 1.00 0.00 C ATOM 1629 OD1 ASN A 98 1.933 -11.081 -5.736 1.00 0.00 O ATOM 1630 ND2 ASN A 98 3.284 -9.319 -6.075 1.00 0.00 N ATOM 0 H ASN A 98 3.835 -9.134 -3.897 1.00 0.00 H new ATOM 0 HA ASN A 98 3.476 -11.759 -3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.142 -10.920 -5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.146 -12.351 -5.294 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.535 -8.770 -6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.218 -8.921 -5.981 1.00 0.00 H new ATOM 1637 N SER A 99 6.555 -10.721 -2.835 1.00 0.00 N ATOM 1638 CA SER A 99 7.884 -11.060 -2.343 1.00 0.00 C ATOM 1639 C SER A 99 8.367 -10.022 -1.336 1.00 0.00 C ATOM 1640 O SER A 99 8.021 -8.845 -1.431 1.00 0.00 O ATOM 1641 CB SER A 99 8.873 -11.160 -3.506 1.00 0.00 C ATOM 1642 OG SER A 99 8.340 -11.939 -4.563 1.00 0.00 O ATOM 0 H SER A 99 6.422 -9.731 -3.043 1.00 0.00 H new ATOM 0 HA SER A 99 7.826 -12.027 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.112 -10.161 -3.871 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.806 -11.604 -3.157 1.00 0.00 H new ATOM 0 HG SER A 99 8.990 -11.986 -5.295 1.00 0.00 H new ATOM 1648 N THR A 100 9.167 -10.465 -0.371 1.00 0.00 N ATOM 1649 CA THR A 100 9.697 -9.572 0.653 1.00 0.00 C ATOM 1650 C THR A 100 10.429 -8.393 0.020 1.00 0.00 C ATOM 1651 O THR A 100 10.223 -7.242 0.403 1.00 0.00 O ATOM 1652 CB THR A 100 10.642 -10.333 1.584 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.264 -11.695 1.678 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.681 -9.770 2.989 1.00 0.00 C ATOM 0 H THR A 100 9.462 -11.437 -0.277 1.00 0.00 H new ATOM 0 HA THR A 100 8.858 -9.187 1.233 1.00 0.00 H new ATOM 0 HB THR A 100 11.632 -10.227 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.757 -12.218 1.012 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.370 -10.356 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.017 -8.734 2.956 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.684 -9.814 3.427 1.00 0.00 H new ATOM 1662 N GLU A 101 11.285 -8.691 -0.950 1.00 0.00 N ATOM 1663 CA GLU A 101 12.053 -7.660 -1.641 1.00 0.00 C ATOM 1664 C GLU A 101 11.137 -6.571 -2.193 1.00 0.00 C ATOM 1665 O GLU A 101 11.504 -5.395 -2.224 1.00 0.00 O ATOM 1666 CB GLU A 101 12.869 -8.280 -2.777 1.00 0.00 C ATOM 1667 CG GLU A 101 13.732 -9.452 -2.337 1.00 0.00 C ATOM 1668 CD GLU A 101 14.944 -9.649 -3.225 1.00 0.00 C ATOM 1669 OE1 GLU A 101 14.792 -9.571 -4.463 1.00 0.00 O ATOM 1670 OE2 GLU A 101 16.045 -9.882 -2.684 1.00 0.00 O ATOM 0 H GLU A 101 11.466 -9.640 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 101 12.731 -7.205 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.189 -8.614 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.508 -7.513 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.061 -9.291 -1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.132 -10.362 -2.341 1.00 0.00 H new ATOM 1677 N GLU A 102 9.944 -6.969 -2.624 1.00 0.00 N ATOM 1678 CA GLU A 102 8.977 -6.025 -3.173 1.00 0.00 C ATOM 1679 C GLU A 102 8.548 -5.013 -2.113 1.00 0.00 C ATOM 1680 O GLU A 102 8.375 -3.830 -2.404 1.00 0.00 O ATOM 1681 CB GLU A 102 7.754 -6.768 -3.714 1.00 0.00 C ATOM 1682 CG GLU A 102 7.342 -6.325 -5.110 1.00 0.00 C ATOM 1683 CD GLU A 102 7.669 -7.357 -6.171 1.00 0.00 C ATOM 1684 OE1 GLU A 102 7.548 -8.566 -5.881 1.00 0.00 O ATOM 1685 OE2 GLU A 102 8.047 -6.956 -7.292 1.00 0.00 O ATOM 0 H GLU A 102 9.624 -7.937 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 102 9.454 -5.488 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.966 -7.837 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.917 -6.618 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.271 -6.125 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.844 -5.389 -5.353 1.00 0.00 H new ATOM 1692 N GLN A 103 8.381 -5.489 -0.883 1.00 0.00 N ATOM 1693 CA GLN A 103 7.974 -4.627 0.221 1.00 0.00 C ATOM 1694 C GLN A 103 9.060 -3.602 0.539 1.00 0.00 C ATOM 1695 O GLN A 103 8.767 -2.447 0.848 1.00 0.00 O ATOM 1696 CB GLN A 103 7.663 -5.468 1.463 1.00 0.00 C ATOM 1697 CG GLN A 103 7.466 -4.650 2.731 1.00 0.00 C ATOM 1698 CD GLN A 103 8.667 -4.706 3.654 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.055 -5.776 4.122 1.00 0.00 O ATOM 1700 NE2 GLN A 103 9.264 -3.550 3.922 1.00 0.00 N ATOM 0 H GLN A 103 8.521 -6.466 -0.626 1.00 0.00 H new ATOM 0 HA GLN A 103 7.074 -4.091 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.762 -6.053 1.277 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.476 -6.176 1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.267 -3.613 2.462 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.587 -5.016 3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.909 -2.686 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.077 -3.527 4.537 1.00 0.00 H new ATOM 1709 N GLN A 104 10.316 -4.030 0.459 1.00 0.00 N ATOM 1710 CA GLN A 104 11.441 -3.144 0.739 1.00 0.00 C ATOM 1711 C GLN A 104 11.541 -2.053 -0.322 1.00 0.00 C ATOM 1712 O GLN A 104 11.878 -0.908 -0.021 1.00 0.00 O ATOM 1713 CB GLN A 104 12.762 -3.925 0.795 1.00 0.00 C ATOM 1714 CG GLN A 104 12.622 -5.371 1.252 1.00 0.00 C ATOM 1715 CD GLN A 104 11.756 -5.519 2.487 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.541 -4.562 3.230 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.253 -6.729 2.712 1.00 0.00 N ATOM 0 H GLN A 104 10.580 -4.982 0.204 1.00 0.00 H new ATOM 0 HA GLN A 104 11.264 -2.686 1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.219 -3.913 -0.195 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.446 -3.409 1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.195 -5.963 0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.612 -5.779 1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.457 -7.494 2.069 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.663 -6.892 3.528 1.00 0.00 H new ATOM 1726 N LYS A 105 11.245 -2.420 -1.564 1.00 0.00 N ATOM 1727 CA LYS A 105 11.303 -1.478 -2.675 1.00 0.00 C ATOM 1728 C LYS A 105 10.093 -0.547 -2.669 1.00 0.00 C ATOM 1729 O LYS A 105 10.238 0.669 -2.786 1.00 0.00 O ATOM 1730 CB LYS A 105 11.375 -2.232 -4.006 1.00 0.00 C ATOM 1731 CG LYS A 105 11.256 -1.332 -5.227 1.00 0.00 C ATOM 1732 CD LYS A 105 11.271 -2.137 -6.517 1.00 0.00 C ATOM 1733 CE LYS A 105 10.332 -1.541 -7.554 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.854 -1.712 -8.939 1.00 0.00 N ATOM 0 H LYS A 105 10.962 -3.364 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 105 12.202 -0.873 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.320 -2.774 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.579 -2.976 -4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.332 -0.756 -5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.078 -0.616 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.285 -2.168 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.979 -3.166 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.354 -2.015 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.190 -0.480 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.185 -1.293 -9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.776 -1.238 -9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.966 -2.725 -9.145 1.00 0.00 H new ATOM 1748 N TRP A 106 8.902 -1.124 -2.546 1.00 0.00 N ATOM 1749 CA TRP A 106 7.674 -0.335 -2.541 1.00 0.00 C ATOM 1750 C TRP A 106 7.697 0.721 -1.440 1.00 0.00 C ATOM 1751 O TRP A 106 7.445 1.900 -1.688 1.00 0.00 O ATOM 1752 CB TRP A 106 6.459 -1.238 -2.364 1.00 0.00 C ATOM 1753 CG TRP A 106 5.752 -1.506 -3.653 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.019 -2.511 -4.528 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.679 -0.751 -4.224 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.165 -2.444 -5.602 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.335 -1.369 -5.439 1.00 0.00 C ATOM 1758 CE3 TRP A 106 3.970 0.384 -3.823 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.317 -0.892 -6.256 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 2.959 0.857 -4.639 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.641 0.220 -5.841 1.00 0.00 C ATOM 0 H TRP A 106 8.761 -2.129 -2.449 1.00 0.00 H new ATOM 0 HA TRP A 106 7.606 0.173 -3.503 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.774 -2.184 -1.923 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.765 -0.775 -1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.791 -3.255 -4.398 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.152 -3.090 -6.391 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.207 0.882 -2.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.069 -1.383 -7.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.405 1.735 -4.342 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.845 0.615 -6.454 1.00 0.00 H new ATOM 1772 N VAL A 107 7.994 0.286 -0.221 1.00 0.00 N ATOM 1773 CA VAL A 107 8.041 1.183 0.927 1.00 0.00 C ATOM 1774 C VAL A 107 9.175 2.198 0.804 1.00 0.00 C ATOM 1775 O VAL A 107 8.960 3.399 0.955 1.00 0.00 O ATOM 1776 CB VAL A 107 8.209 0.393 2.241 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.201 1.328 3.442 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.121 -0.664 2.370 1.00 0.00 C ATOM 0 H VAL A 107 8.207 -0.687 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 107 7.092 1.719 0.946 1.00 0.00 H new ATOM 0 HB VAL A 107 9.175 -0.111 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.321 0.747 4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.022 2.040 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.255 1.868 3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.255 -1.212 3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.143 -0.182 2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.185 -1.356 1.530 1.00 0.00 H new ATOM 1788 N SER A 108 10.380 1.707 0.541 1.00 0.00 N ATOM 1789 CA SER A 108 11.549 2.571 0.413 1.00 0.00 C ATOM 1790 C SER A 108 11.400 3.553 -0.747 1.00 0.00 C ATOM 1791 O SER A 108 11.847 4.696 -0.664 1.00 0.00 O ATOM 1792 CB SER A 108 12.810 1.729 0.221 1.00 0.00 C ATOM 1793 OG SER A 108 13.967 2.545 0.170 1.00 0.00 O ATOM 0 H SER A 108 10.574 0.714 0.412 1.00 0.00 H new ATOM 0 HA SER A 108 11.634 3.148 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.901 1.014 1.039 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.728 1.151 -0.700 1.00 0.00 H new ATOM 0 HG SER A 108 14.760 1.982 0.048 1.00 0.00 H new ATOM 1799 N ARG A 109 10.780 3.102 -1.831 1.00 0.00 N ATOM 1800 CA ARG A 109 10.589 3.948 -3.004 1.00 0.00 C ATOM 1801 C ARG A 109 9.482 4.975 -2.777 1.00 0.00 C ATOM 1802 O ARG A 109 9.689 6.176 -2.956 1.00 0.00 O ATOM 1803 CB ARG A 109 10.267 3.093 -4.231 1.00 0.00 C ATOM 1804 CG ARG A 109 11.465 2.329 -4.773 1.00 0.00 C ATOM 1805 CD ARG A 109 12.036 2.993 -6.016 1.00 0.00 C ATOM 1806 NE ARG A 109 13.200 2.278 -6.533 1.00 0.00 N ATOM 1807 CZ ARG A 109 14.412 2.343 -5.985 1.00 0.00 C ATOM 1808 NH1 ARG A 109 14.623 3.089 -4.908 1.00 0.00 N ATOM 1809 NH2 ARG A 109 15.416 1.658 -6.516 1.00 0.00 N ATOM 0 H ARG A 109 10.402 2.159 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 109 11.520 4.488 -3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.481 2.383 -3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.871 3.736 -5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.236 2.268 -4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.169 1.307 -5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.267 3.040 -6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 109 12.316 4.020 -5.782 1.00 0.00 H new ATOM 0 HE ARG A 109 13.078 1.695 -7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 109 13.854 3.617 -4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 109 15.554 3.134 -4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 109 15.259 1.082 -7.343 1.00 0.00 H new ATOM 0 HH22 ARG A 109 16.345 1.707 -6.097 1.00 0.00 H new ATOM 1823 N LEU A 110 8.305 4.494 -2.390 1.00 0.00 N ATOM 1824 CA LEU A 110 7.165 5.372 -2.150 1.00 0.00 C ATOM 1825 C LEU A 110 7.461 6.375 -1.038 1.00 0.00 C ATOM 1826 O LEU A 110 7.045 7.531 -1.110 1.00 0.00 O ATOM 1827 CB LEU A 110 5.919 4.546 -1.808 1.00 0.00 C ATOM 1828 CG LEU A 110 5.812 4.090 -0.351 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.128 5.156 0.490 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.056 2.772 -0.262 1.00 0.00 C ATOM 0 H LEU A 110 8.116 3.504 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 110 6.976 5.934 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.035 5.135 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.901 3.664 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 110 6.818 3.937 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.060 4.816 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.707 6.079 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.126 5.339 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.988 2.461 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.053 2.900 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.585 2.010 -0.834 1.00 0.00 H new ATOM 1842 N VAL A 111 8.180 5.929 -0.013 1.00 0.00 N ATOM 1843 CA VAL A 111 8.524 6.796 1.107 1.00 0.00 C ATOM 1844 C VAL A 111 9.554 7.839 0.689 1.00 0.00 C ATOM 1845 O VAL A 111 9.458 9.008 1.063 1.00 0.00 O ATOM 1846 CB VAL A 111 9.069 5.988 2.305 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.454 5.434 2.007 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.088 6.846 3.561 1.00 0.00 C ATOM 0 H VAL A 111 8.534 4.976 0.065 1.00 0.00 H new ATOM 0 HA VAL A 111 7.607 7.298 1.416 1.00 0.00 H new ATOM 0 HB VAL A 111 8.402 5.143 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.813 4.870 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.404 4.778 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.139 6.257 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.475 6.261 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.727 7.714 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.076 7.179 3.790 1.00 0.00 H new ATOM 1858 N LYS A 112 10.537 7.409 -0.094 1.00 0.00 N ATOM 1859 CA LYS A 112 11.583 8.304 -0.569 1.00 0.00 C ATOM 1860 C LYS A 112 11.000 9.383 -1.476 1.00 0.00 C ATOM 1861 O LYS A 112 11.546 10.482 -1.580 1.00 0.00 O ATOM 1862 CB LYS A 112 12.659 7.518 -1.317 1.00 0.00 C ATOM 1863 CG LYS A 112 13.782 7.019 -0.421 1.00 0.00 C ATOM 1864 CD LYS A 112 15.068 6.797 -1.204 1.00 0.00 C ATOM 1865 CE LYS A 112 16.201 7.659 -0.671 1.00 0.00 C ATOM 1866 NZ LYS A 112 16.706 7.165 0.640 1.00 0.00 N ATOM 0 H LYS A 112 10.631 6.445 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 112 12.036 8.786 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.195 6.665 -1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.082 8.150 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.961 7.741 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.480 6.086 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.352 5.746 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.899 7.026 -2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.018 7.672 -1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.855 8.687 -0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.478 7.780 0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.933 7.176 1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.060 6.193 0.532 1.00 0.00 H new ATOM 1880 N LYS A 113 9.888 9.062 -2.132 1.00 0.00 N ATOM 1881 CA LYS A 113 9.234 10.006 -3.030 1.00 0.00 C ATOM 1882 C LYS A 113 8.464 11.067 -2.249 1.00 0.00 C ATOM 1883 O LYS A 113 8.197 12.154 -2.762 1.00 0.00 O ATOM 1884 CB LYS A 113 8.287 9.266 -3.977 1.00 0.00 C ATOM 1885 CG LYS A 113 9.006 8.485 -5.065 1.00 0.00 C ATOM 1886 CD LYS A 113 8.031 7.921 -6.086 1.00 0.00 C ATOM 1887 CE LYS A 113 8.032 8.736 -7.371 1.00 0.00 C ATOM 1888 NZ LYS A 113 8.566 7.959 -8.524 1.00 0.00 N ATOM 0 H LYS A 113 9.423 8.157 -2.058 1.00 0.00 H new ATOM 0 HA LYS A 113 10.008 10.506 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.668 8.581 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.615 9.987 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.723 9.135 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.574 7.671 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.295 6.887 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 113 7.027 7.909 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.016 9.063 -7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.633 9.635 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.080 8.252 -9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.586 8.137 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.406 6.944 -8.363 1.00 0.00 H new ATOM 1902 N ILE A 114 8.110 10.750 -1.006 1.00 0.00 N ATOM 1903 CA ILE A 114 7.370 11.683 -0.163 1.00 0.00 C ATOM 1904 C ILE A 114 8.154 12.980 0.036 1.00 0.00 C ATOM 1905 O ILE A 114 9.349 12.952 0.328 1.00 0.00 O ATOM 1906 CB ILE A 114 7.057 11.070 1.218 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.371 9.712 1.055 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.185 12.016 2.033 1.00 0.00 C ATOM 1909 CD1 ILE A 114 5.991 9.064 2.370 1.00 0.00 C ATOM 0 H ILE A 114 8.323 9.857 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 114 6.433 11.899 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 114 7.995 10.920 1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.474 9.838 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.034 9.042 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 114 5.973 11.569 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.708 12.962 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.249 12.195 1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.510 8.105 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.887 8.906 2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.302 9.714 2.910 1.00 0.00 H new ATOM 1921 N PRO A 115 7.492 14.141 -0.123 1.00 0.00 N ATOM 1922 CA PRO A 115 8.137 15.446 0.039 1.00 0.00 C ATOM 1923 C PRO A 115 8.360 15.805 1.504 1.00 0.00 C ATOM 1924 O PRO A 115 9.428 16.292 1.879 1.00 0.00 O ATOM 1925 CB PRO A 115 7.140 16.409 -0.602 1.00 0.00 C ATOM 1926 CG PRO A 115 5.815 15.758 -0.409 1.00 0.00 C ATOM 1927 CD PRO A 115 6.063 14.274 -0.475 1.00 0.00 C ATOM 0 HA PRO A 115 9.129 15.472 -0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.173 17.389 -0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.358 16.560 -1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.380 16.038 0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.112 16.070 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.426 13.730 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.857 13.878 -1.469 1.00 0.00 H new