USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=24 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= -2.59 K(o=-11,f=-19!) USER MOD Set 1.2: A 104 GLN : amide:sc= -8.27! C(o=-11!,f=-15!) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0.654 USER MOD Set 2.2: A 64 THR OG1 : rot -75:sc= 0.719 USER MOD Single : A 8 SER OG : rot 160:sc= -1.01 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= 0.0771 (180deg=0.00786) USER MOD Single : A 24 TYR OH : rot -55:sc= -0.683 USER MOD Single : A 28 SER OG : rot 180:sc= -0.091 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= -0.321 (180deg=-0.669) USER MOD Single : A 31 LYS NZ :NH3+ -139:sc= -1.17 (180deg=-2.65!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -1:sc= 0.985 USER MOD Single : A 39 GLN : amide:sc= -0.0384 X(o=-0.038,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= -0.326 (180deg=-0.513) USER MOD Single : A 43 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.0092) USER MOD Single : A 44 SER OG : rot -62:sc= 0.845 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -129:sc= -6.54! (180deg=-9.07!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.7!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -4.14! F(o=-5.2,f=-4.1!) 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= -0.475 X(o=-0.48,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.852 K(o=-0.85,f=-4!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 93:sc= 0.063 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 94:sc= 1.17 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 158:sc= -0.0298 (180deg=-0.256) USER MOD ----------------------------------------------------------------- ATOM 14 N ARG A 2 7.621 4.006 -13.203 1.00 0.00 N ATOM 15 CA ARG A 2 7.885 4.239 -11.788 1.00 0.00 C ATOM 16 C ARG A 2 7.291 3.127 -10.932 1.00 0.00 C ATOM 17 O ARG A 2 6.806 2.124 -11.454 1.00 0.00 O ATOM 18 CB ARG A 2 7.328 5.599 -11.357 1.00 0.00 C ATOM 19 CG ARG A 2 5.808 5.683 -11.378 1.00 0.00 C ATOM 20 CD ARG A 2 5.260 5.672 -12.798 1.00 0.00 C ATOM 21 NE ARG A 2 5.882 6.696 -13.637 1.00 0.00 N ATOM 22 CZ ARG A 2 5.664 6.812 -14.945 1.00 0.00 C ATOM 23 NH1 ARG A 2 4.849 5.970 -15.567 1.00 0.00 N ATOM 24 NH2 ARG A 2 6.264 7.774 -15.633 1.00 0.00 N ATOM 0 HA ARG A 2 8.965 4.241 -11.641 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.680 5.821 -10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.733 6.370 -12.013 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.390 4.845 -10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.487 6.594 -10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.426 4.691 -13.242 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.182 5.832 -12.771 1.00 0.00 H new ATOM 0 HE ARG A 2 6.519 7.359 -13.195 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.385 5.228 -15.043 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.686 6.064 -16.569 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.892 8.424 -15.160 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.098 7.864 -16.635 1.00 0.00 H new ATOM 38 N LEU A 3 7.329 3.310 -9.613 1.00 0.00 N ATOM 39 CA LEU A 3 6.791 2.317 -8.687 1.00 0.00 C ATOM 40 C LEU A 3 5.393 1.887 -9.113 1.00 0.00 C ATOM 41 O LEU A 3 4.442 2.659 -9.021 1.00 0.00 O ATOM 42 CB LEU A 3 6.753 2.881 -7.266 1.00 0.00 C ATOM 43 CG LEU A 3 7.065 1.871 -6.161 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.509 1.401 -6.259 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.789 2.478 -4.792 1.00 0.00 C ATOM 0 H LEU A 3 7.726 4.135 -9.163 1.00 0.00 H new ATOM 0 HA LEU A 3 7.444 1.445 -8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.466 3.703 -7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.764 3.301 -7.084 1.00 0.00 H new ATOM 0 HG LEU A 3 6.415 1.006 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.713 0.683 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.673 0.927 -7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.178 2.256 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.016 1.746 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.414 3.360 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.739 2.763 -4.725 1.00 0.00 H new ATOM 57 N GLU A 4 5.277 0.655 -9.594 1.00 0.00 N ATOM 58 CA GLU A 4 3.993 0.139 -10.043 1.00 0.00 C ATOM 59 C GLU A 4 3.954 -1.384 -9.987 1.00 0.00 C ATOM 60 O GLU A 4 4.992 -2.046 -9.975 1.00 0.00 O ATOM 61 CB GLU A 4 3.716 0.617 -11.471 1.00 0.00 C ATOM 62 CG GLU A 4 4.533 -0.107 -12.532 1.00 0.00 C ATOM 63 CD GLU A 4 3.741 -1.184 -13.246 1.00 0.00 C ATOM 64 OE1 GLU A 4 3.314 -2.149 -12.578 1.00 0.00 O ATOM 65 OE2 GLU A 4 3.546 -1.062 -14.473 1.00 0.00 O ATOM 0 H GLU A 4 6.053 -0.001 -9.682 1.00 0.00 H new ATOM 0 HA GLU A 4 3.221 0.518 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.656 0.485 -11.689 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.923 1.685 -11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.895 0.617 -13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.410 -0.556 -12.066 1.00 0.00 H new ATOM 72 N GLY A 5 2.745 -1.929 -9.958 1.00 0.00 N ATOM 73 CA GLY A 5 2.573 -3.367 -9.910 1.00 0.00 C ATOM 74 C GLY A 5 1.271 -3.758 -9.248 1.00 0.00 C ATOM 75 O GLY A 5 0.294 -3.015 -9.308 1.00 0.00 O ATOM 0 H GLY A 5 1.875 -1.396 -9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.601 -3.770 -10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.405 -3.814 -9.366 1.00 0.00 H new ATOM 79 N TRP A 6 1.256 -4.920 -8.610 1.00 0.00 N ATOM 80 CA TRP A 6 0.060 -5.390 -7.932 1.00 0.00 C ATOM 81 C TRP A 6 0.327 -5.619 -6.458 1.00 0.00 C ATOM 82 O TRP A 6 1.232 -6.367 -6.086 1.00 0.00 O ATOM 83 CB TRP A 6 -0.446 -6.684 -8.558 1.00 0.00 C ATOM 84 CG TRP A 6 -0.667 -6.566 -10.026 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.289 -6.573 -10.986 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.919 -6.416 -10.696 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.283 -6.425 -12.223 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.643 -6.332 -12.072 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.243 -6.345 -10.265 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.647 -6.180 -13.024 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.242 -6.195 -11.210 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.940 -6.113 -12.576 1.00 0.00 C ATOM 0 H TRP A 6 2.055 -5.551 -8.549 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.702 -4.618 -8.041 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.273 -7.481 -8.366 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.380 -6.974 -8.077 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.348 -6.680 -10.803 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.220 -6.390 -13.110 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.484 -6.406 -9.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.415 -6.117 -14.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.272 -6.140 -10.890 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.742 -5.995 -13.289 1.00 0.00 H new ATOM 103 N LEU A 7 -0.477 -4.988 -5.620 1.00 0.00 N ATOM 104 CA LEU A 7 -0.342 -5.139 -4.188 1.00 0.00 C ATOM 105 C LEU A 7 -1.633 -5.692 -3.616 1.00 0.00 C ATOM 106 O LEU A 7 -2.710 -5.474 -4.166 1.00 0.00 O ATOM 107 CB LEU A 7 0.019 -3.814 -3.533 1.00 0.00 C ATOM 108 CG LEU A 7 1.416 -3.294 -3.881 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.545 -1.825 -3.528 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.480 -4.111 -3.161 1.00 0.00 C ATOM 0 H LEU A 7 -1.231 -4.366 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 7 0.468 -5.838 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.717 -3.066 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.054 -3.926 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 7 1.564 -3.400 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.545 -1.476 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.806 -1.250 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.376 -1.691 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.468 -3.729 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.331 -4.034 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.404 -5.155 -3.464 1.00 0.00 H new ATOM 122 N SER A 8 -1.518 -6.433 -2.533 1.00 0.00 N ATOM 123 CA SER A 8 -2.682 -7.051 -1.918 1.00 0.00 C ATOM 124 C SER A 8 -3.231 -6.218 -0.771 1.00 0.00 C ATOM 125 O SER A 8 -2.492 -5.769 0.104 1.00 0.00 O ATOM 126 CB SER A 8 -2.334 -8.459 -1.439 1.00 0.00 C ATOM 127 OG SER A 8 -2.888 -9.441 -2.299 1.00 0.00 O ATOM 0 H SER A 8 -0.635 -6.623 -2.059 1.00 0.00 H new ATOM 0 HA SER A 8 -3.464 -7.111 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.251 -8.576 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.709 -8.605 -0.426 1.00 0.00 H new ATOM 0 HG SER A 8 -2.409 -10.288 -2.180 1.00 0.00 H new ATOM 133 N LEU A 9 -4.544 -6.024 -0.789 1.00 0.00 N ATOM 134 CA LEU A 9 -5.226 -5.254 0.241 1.00 0.00 C ATOM 135 C LEU A 9 -6.245 -6.122 0.972 1.00 0.00 C ATOM 136 O LEU A 9 -6.796 -7.061 0.396 1.00 0.00 O ATOM 137 CB LEU A 9 -5.919 -4.041 -0.380 1.00 0.00 C ATOM 138 CG LEU A 9 -4.997 -3.078 -1.130 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.852 -3.500 -2.583 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.525 -1.654 -1.036 1.00 0.00 C ATOM 0 H LEU A 9 -5.161 -6.393 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.485 -4.908 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.687 -4.394 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.429 -3.490 0.410 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.012 -3.111 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.193 -2.803 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.428 -4.503 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.831 -3.497 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.857 -0.982 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.521 -1.605 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.576 -1.353 0.010 1.00 0.00 H new ATOM 152 N PRO A 10 -6.511 -5.824 2.253 1.00 0.00 N ATOM 153 CA PRO A 10 -7.470 -6.589 3.057 1.00 0.00 C ATOM 154 C PRO A 10 -8.898 -6.451 2.539 1.00 0.00 C ATOM 155 O PRO A 10 -9.515 -5.394 2.665 1.00 0.00 O ATOM 156 CB PRO A 10 -7.344 -5.974 4.456 1.00 0.00 C ATOM 157 CG PRO A 10 -6.790 -4.610 4.226 1.00 0.00 C ATOM 158 CD PRO A 10 -5.900 -4.724 3.020 1.00 0.00 C ATOM 0 HA PRO A 10 -7.259 -7.658 3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.311 -5.928 4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.685 -6.567 5.090 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.588 -3.888 4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.229 -4.265 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.878 -3.797 2.447 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.871 -4.951 3.299 1.00 0.00 H new ATOM 166 N VAL A 11 -9.416 -7.528 1.954 1.00 0.00 N ATOM 167 CA VAL A 11 -10.771 -7.526 1.414 1.00 0.00 C ATOM 168 C VAL A 11 -11.693 -8.433 2.226 1.00 0.00 C ATOM 169 O VAL A 11 -11.506 -9.649 2.266 1.00 0.00 O ATOM 170 CB VAL A 11 -10.787 -7.978 -0.059 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.298 -9.413 -0.188 1.00 0.00 C ATOM 172 CG2 VAL A 11 -12.181 -7.826 -0.650 1.00 0.00 C ATOM 0 H VAL A 11 -8.918 -8.411 1.842 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.134 -6.500 1.476 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.107 -7.338 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.318 -9.711 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.279 -9.485 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.947 -10.072 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.172 -8.150 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.884 -8.438 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.486 -6.781 -0.598 1.00 0.00 H new ATOM 319 N TRP A 20 -6.791 -10.987 0.887 1.00 0.00 N ATOM 320 CA TRP A 20 -5.877 -10.218 0.053 1.00 0.00 C ATOM 321 C TRP A 20 -6.354 -10.173 -1.392 1.00 0.00 C ATOM 322 O TRP A 20 -6.964 -11.119 -1.888 1.00 0.00 O ATOM 323 CB TRP A 20 -4.469 -10.810 0.097 1.00 0.00 C ATOM 324 CG TRP A 20 -3.927 -10.976 1.483 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.592 -12.146 2.102 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.650 -9.931 2.424 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.123 -11.892 3.369 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.150 -10.540 3.589 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.777 -8.539 2.393 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.777 -9.806 4.712 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.405 -7.810 3.509 1.00 0.00 C ATOM 332 CH2 TRP A 20 -2.910 -8.445 4.654 1.00 0.00 C ATOM 0 HA TRP A 20 -5.855 -9.204 0.451 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.477 -11.781 -0.399 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.797 -10.168 -0.472 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.682 -13.128 1.661 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.807 -12.595 4.036 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.159 -8.041 1.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.396 -10.293 5.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.498 -6.734 3.496 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.627 -7.849 5.509 1.00 0.00 H new ATOM 343 N VAL A 21 -6.058 -9.069 -2.062 1.00 0.00 N ATOM 344 CA VAL A 21 -6.441 -8.892 -3.456 1.00 0.00 C ATOM 345 C VAL A 21 -5.442 -7.991 -4.177 1.00 0.00 C ATOM 346 O VAL A 21 -5.275 -6.827 -3.813 1.00 0.00 O ATOM 347 CB VAL A 21 -7.854 -8.290 -3.580 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.916 -6.921 -2.919 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.275 -8.206 -5.040 1.00 0.00 C ATOM 0 H VAL A 21 -5.552 -8.279 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.442 -9.878 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.552 -8.947 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.922 -6.514 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.665 -7.015 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.205 -6.251 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.275 -7.778 -5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.574 -7.574 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.278 -9.205 -5.476 1.00 0.00 H new ATOM 359 N LYS A 22 -4.773 -8.533 -5.191 1.00 0.00 N ATOM 360 CA LYS A 22 -3.785 -7.764 -5.935 1.00 0.00 C ATOM 361 C LYS A 22 -4.446 -6.701 -6.802 1.00 0.00 C ATOM 362 O LYS A 22 -5.071 -7.007 -7.816 1.00 0.00 O ATOM 363 CB LYS A 22 -2.947 -8.677 -6.834 1.00 0.00 C ATOM 364 CG LYS A 22 -1.514 -8.862 -6.371 1.00 0.00 C ATOM 365 CD LYS A 22 -0.795 -9.926 -7.189 1.00 0.00 C ATOM 366 CE LYS A 22 -0.885 -9.653 -8.687 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.988 -10.912 -9.475 1.00 0.00 N ATOM 0 H LYS A 22 -4.896 -9.493 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.142 -7.279 -5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.428 -9.654 -6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.940 -8.267 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.979 -7.916 -6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.504 -9.143 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.252 -9.967 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.226 -10.903 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.753 -9.025 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.006 -9.095 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.047 -10.684 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.148 -11.500 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.841 -11.433 -9.187 1.00 0.00 H new ATOM 381 N LYS A 23 -4.264 -5.449 -6.409 1.00 0.00 N ATOM 382 CA LYS A 23 -4.796 -4.326 -7.159 1.00 0.00 C ATOM 383 C LYS A 23 -3.639 -3.580 -7.798 1.00 0.00 C ATOM 384 O LYS A 23 -2.574 -3.449 -7.194 1.00 0.00 O ATOM 385 CB LYS A 23 -5.595 -3.388 -6.256 1.00 0.00 C ATOM 386 CG LYS A 23 -6.672 -4.093 -5.452 1.00 0.00 C ATOM 387 CD LYS A 23 -7.687 -4.765 -6.362 1.00 0.00 C ATOM 388 CE LYS A 23 -9.033 -4.925 -5.675 1.00 0.00 C ATOM 389 NZ LYS A 23 -10.058 -5.507 -6.585 1.00 0.00 N ATOM 0 H LYS A 23 -3.748 -5.187 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.474 -4.697 -7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.911 -2.886 -5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.058 -2.614 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.214 -4.838 -4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.178 -3.374 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.809 -4.175 -7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.314 -5.743 -6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.920 -5.565 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.375 -3.954 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.809 -5.955 -6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.469 -4.753 -7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.613 -6.220 -7.198 1.00 0.00 H new ATOM 403 N TYR A 24 -3.830 -3.114 -9.017 1.00 0.00 N ATOM 404 CA TYR A 24 -2.766 -2.413 -9.711 1.00 0.00 C ATOM 405 C TYR A 24 -2.490 -1.054 -9.090 1.00 0.00 C ATOM 406 O TYR A 24 -3.205 -0.083 -9.332 1.00 0.00 O ATOM 407 CB TYR A 24 -3.076 -2.258 -11.195 1.00 0.00 C ATOM 408 CG TYR A 24 -1.833 -2.351 -12.048 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.690 -1.638 -11.710 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.791 -3.163 -13.173 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.459 -1.726 -12.469 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.645 -3.255 -13.940 1.00 0.00 C ATOM 413 CZ TYR A 24 0.477 -2.536 -13.583 1.00 0.00 C ATOM 414 OH TYR A 24 1.620 -2.629 -14.344 1.00 0.00 O ATOM 0 H TYR A 24 -4.700 -3.206 -9.542 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.868 -3.023 -9.608 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.783 -3.030 -11.500 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.561 -1.297 -11.365 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.701 -1.003 -10.837 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.666 -3.731 -13.453 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.338 -1.164 -12.192 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.628 -3.887 -14.815 1.00 0.00 H new ATOM 0 HH TYR A 24 1.897 -1.733 -14.630 1.00 0.00 H new ATOM 424 N VAL A 25 -1.428 -0.998 -8.295 1.00 0.00 N ATOM 425 CA VAL A 25 -1.024 0.235 -7.641 1.00 0.00 C ATOM 426 C VAL A 25 0.169 0.844 -8.362 1.00 0.00 C ATOM 427 O VAL A 25 1.134 0.148 -8.678 1.00 0.00 O ATOM 428 CB VAL A 25 -0.645 -0.001 -6.166 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.482 1.324 -5.437 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.682 -0.875 -5.477 1.00 0.00 C ATOM 0 H VAL A 25 -0.830 -1.798 -8.089 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.875 0.915 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 25 0.311 -0.525 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.214 1.137 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.305 1.908 -5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.420 1.879 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.395 -1.029 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.655 -0.385 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.740 -1.838 -5.984 1.00 0.00 H new ATOM 440 N ILE A 26 0.104 2.141 -8.624 1.00 0.00 N ATOM 441 CA ILE A 26 1.189 2.826 -9.309 1.00 0.00 C ATOM 442 C ILE A 26 1.449 4.187 -8.679 1.00 0.00 C ATOM 443 O ILE A 26 0.600 5.078 -8.722 1.00 0.00 O ATOM 444 CB ILE A 26 0.884 3.001 -10.813 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.183 1.754 -11.358 1.00 0.00 C ATOM 446 CG2 ILE A 26 2.164 3.271 -11.591 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.165 1.851 -12.828 1.00 0.00 C ATOM 0 H ILE A 26 -0.685 2.737 -8.374 1.00 0.00 H new ATOM 0 HA ILE A 26 2.080 2.207 -9.206 1.00 0.00 H new ATOM 0 HB ILE A 26 0.221 3.858 -10.935 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.826 0.888 -11.201 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.729 1.581 -10.787 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.929 3.391 -12.648 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.632 4.182 -11.217 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.850 2.433 -11.465 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.659 0.933 -13.146 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.833 2.697 -12.989 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.746 1.993 -13.409 1.00 0.00 H new ATOM 459 N VAL A 27 2.627 4.339 -8.086 1.00 0.00 N ATOM 460 CA VAL A 27 3.004 5.584 -7.437 1.00 0.00 C ATOM 461 C VAL A 27 3.632 6.554 -8.430 1.00 0.00 C ATOM 462 O VAL A 27 4.787 6.394 -8.822 1.00 0.00 O ATOM 463 CB VAL A 27 3.997 5.339 -6.285 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.201 6.611 -5.475 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.518 4.199 -5.396 1.00 0.00 C ATOM 0 H VAL A 27 3.339 3.610 -8.042 1.00 0.00 H new ATOM 0 HA VAL A 27 2.089 6.019 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 27 4.957 5.052 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.905 6.418 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.596 7.394 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.247 6.933 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.233 4.042 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.545 4.450 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.433 3.287 -5.988 1.00 0.00 H new ATOM 475 N SER A 28 2.867 7.567 -8.828 1.00 0.00 N ATOM 476 CA SER A 28 3.354 8.566 -9.770 1.00 0.00 C ATOM 477 C SER A 28 4.191 9.620 -9.053 1.00 0.00 C ATOM 478 O SER A 28 4.146 9.734 -7.828 1.00 0.00 O ATOM 479 CB SER A 28 2.179 9.232 -10.489 1.00 0.00 C ATOM 480 OG SER A 28 2.635 10.157 -11.463 1.00 0.00 O ATOM 0 H SER A 28 1.909 7.716 -8.512 1.00 0.00 H new ATOM 0 HA SER A 28 3.983 8.065 -10.506 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.562 8.471 -10.966 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.548 9.745 -9.763 1.00 0.00 H new ATOM 0 HG SER A 28 1.865 10.568 -11.910 1.00 0.00 H new ATOM 486 N SER A 29 4.954 10.388 -9.822 1.00 0.00 N ATOM 487 CA SER A 29 5.804 11.433 -9.258 1.00 0.00 C ATOM 488 C SER A 29 4.997 12.373 -8.367 1.00 0.00 C ATOM 489 O SER A 29 4.159 13.137 -8.846 1.00 0.00 O ATOM 490 CB SER A 29 6.479 12.228 -10.377 1.00 0.00 C ATOM 491 OG SER A 29 7.249 11.380 -11.211 1.00 0.00 O ATOM 0 H SER A 29 5.002 10.308 -10.838 1.00 0.00 H new ATOM 0 HA SER A 29 6.569 10.953 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.722 12.739 -10.972 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.119 12.998 -9.946 1.00 0.00 H new ATOM 0 HG SER A 29 7.669 11.911 -11.919 1.00 0.00 H new ATOM 497 N LYS A 30 5.258 12.311 -7.065 1.00 0.00 N ATOM 498 CA LYS A 30 4.559 13.157 -6.103 1.00 0.00 C ATOM 499 C LYS A 30 3.058 12.884 -6.126 1.00 0.00 C ATOM 500 O LYS A 30 2.247 13.801 -5.993 1.00 0.00 O ATOM 501 CB LYS A 30 4.825 14.633 -6.399 1.00 0.00 C ATOM 502 CG LYS A 30 6.204 15.103 -5.967 1.00 0.00 C ATOM 503 CD LYS A 30 6.161 15.786 -4.609 1.00 0.00 C ATOM 504 CE LYS A 30 7.093 16.984 -4.558 1.00 0.00 C ATOM 505 NZ LYS A 30 7.351 17.428 -3.161 1.00 0.00 N ATOM 0 H LYS A 30 5.948 11.684 -6.652 1.00 0.00 H new ATOM 0 HA LYS A 30 4.938 12.920 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.710 14.806 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.070 15.237 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.883 14.251 -5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.603 15.793 -6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.142 16.107 -4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.440 15.073 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.038 16.729 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.658 17.807 -5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.511 18.456 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.530 17.197 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.193 16.942 -2.792 1.00 0.00 H new ATOM 519 N LYS A 31 2.693 11.616 -6.296 1.00 0.00 N ATOM 520 CA LYS A 31 1.289 11.224 -6.337 1.00 0.00 C ATOM 521 C LYS A 31 1.148 9.704 -6.325 1.00 0.00 C ATOM 522 O LYS A 31 1.957 8.992 -6.917 1.00 0.00 O ATOM 523 CB LYS A 31 0.615 11.802 -7.584 1.00 0.00 C ATOM 524 CG LYS A 31 -0.848 11.409 -7.731 1.00 0.00 C ATOM 525 CD LYS A 31 -1.768 12.613 -7.600 1.00 0.00 C ATOM 526 CE LYS A 31 -1.690 13.226 -6.211 1.00 0.00 C ATOM 527 NZ LYS A 31 -2.780 12.733 -5.326 1.00 0.00 N ATOM 0 H LYS A 31 3.350 10.844 -6.407 1.00 0.00 H new ATOM 0 HA LYS A 31 0.798 11.622 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.688 12.889 -7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.161 11.470 -8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.002 10.936 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.105 10.670 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.497 13.362 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.795 12.312 -7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.724 12.990 -5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.749 14.312 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.152 13.523 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.544 12.333 -5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.406 11.999 -4.691 1.00 0.00 H new ATOM 541 N ILE A 32 0.112 9.215 -5.650 1.00 0.00 N ATOM 542 CA ILE A 32 -0.139 7.781 -5.566 1.00 0.00 C ATOM 543 C ILE A 32 -1.444 7.418 -6.266 1.00 0.00 C ATOM 544 O ILE A 32 -2.480 8.040 -6.029 1.00 0.00 O ATOM 545 CB ILE A 32 -0.202 7.300 -4.103 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.953 7.894 -3.295 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.167 5.780 -4.044 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.884 7.575 -1.817 1.00 0.00 C ATOM 0 H ILE A 32 -0.567 9.791 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 32 0.694 7.283 -6.063 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.140 7.642 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.896 7.521 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.958 8.976 -3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.212 5.455 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.020 5.375 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.757 5.419 -4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.734 8.028 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.042 7.973 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.910 6.494 -1.676 1.00 0.00 H new ATOM 560 N LEU A 33 -1.389 6.413 -7.135 1.00 0.00 N ATOM 561 CA LEU A 33 -2.568 5.975 -7.873 1.00 0.00 C ATOM 562 C LEU A 33 -2.931 4.533 -7.532 1.00 0.00 C ATOM 563 O LEU A 33 -2.064 3.719 -7.220 1.00 0.00 O ATOM 564 CB LEU A 33 -2.328 6.109 -9.378 1.00 0.00 C ATOM 565 CG LEU A 33 -1.971 7.519 -9.853 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.891 7.466 -10.923 1.00 0.00 C ATOM 567 CD2 LEU A 33 -3.207 8.235 -10.378 1.00 0.00 C ATOM 0 H LEU A 33 -0.541 5.887 -7.345 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.402 6.614 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.524 5.431 -9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.224 5.781 -9.904 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.584 8.079 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.651 8.478 -11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.003 6.994 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.250 6.887 -11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.934 9.236 -10.711 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.624 7.675 -11.215 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.950 8.307 -9.584 1.00 0.00 H new ATOM 579 N PHE A 34 -4.223 4.228 -7.598 1.00 0.00 N ATOM 580 CA PHE A 34 -4.714 2.887 -7.301 1.00 0.00 C ATOM 581 C PHE A 34 -5.693 2.424 -8.376 1.00 0.00 C ATOM 582 O PHE A 34 -6.623 3.145 -8.735 1.00 0.00 O ATOM 583 CB PHE A 34 -5.392 2.860 -5.930 1.00 0.00 C ATOM 584 CG PHE A 34 -4.587 2.158 -4.872 1.00 0.00 C ATOM 585 CD1 PHE A 34 -3.502 2.783 -4.279 1.00 0.00 C ATOM 586 CD2 PHE A 34 -4.919 0.874 -4.469 1.00 0.00 C ATOM 587 CE1 PHE A 34 -2.762 2.140 -3.305 1.00 0.00 C ATOM 588 CE2 PHE A 34 -4.183 0.227 -3.495 1.00 0.00 C ATOM 589 CZ PHE A 34 -3.102 0.861 -2.912 1.00 0.00 C ATOM 0 H PHE A 34 -4.951 4.894 -7.856 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.863 2.206 -7.287 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.583 3.884 -5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.361 2.369 -6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.232 3.784 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.762 0.374 -4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.918 2.638 -2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.452 -0.773 -3.189 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.525 0.357 -2.151 1.00 0.00 H new ATOM 599 N TYR A 35 -5.477 1.215 -8.883 1.00 0.00 N ATOM 600 CA TYR A 35 -6.339 0.655 -9.917 1.00 0.00 C ATOM 601 C TYR A 35 -6.671 -0.803 -9.617 1.00 0.00 C ATOM 602 O TYR A 35 -6.048 -1.429 -8.760 1.00 0.00 O ATOM 603 CB TYR A 35 -5.668 0.765 -11.287 1.00 0.00 C ATOM 604 CG TYR A 35 -5.504 2.188 -11.772 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.377 2.929 -11.440 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.476 2.788 -12.563 1.00 0.00 C ATOM 607 CE1 TYR A 35 -4.223 4.229 -11.883 1.00 0.00 C ATOM 608 CE2 TYR A 35 -6.329 4.089 -13.009 1.00 0.00 C ATOM 609 CZ TYR A 35 -5.201 4.805 -12.668 1.00 0.00 C ATOM 610 OH TYR A 35 -5.052 6.099 -13.110 1.00 0.00 O ATOM 0 H TYR A 35 -4.713 0.604 -8.595 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.267 1.226 -9.929 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.687 0.291 -11.240 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.257 0.208 -12.016 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.609 2.482 -10.826 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.360 2.230 -12.834 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.341 4.792 -11.616 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.094 4.542 -13.622 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.829 6.351 -13.651 1.00 0.00 H new ATOM 620 N ASP A 36 -7.656 -1.339 -10.330 1.00 0.00 N ATOM 621 CA ASP A 36 -8.071 -2.723 -10.143 1.00 0.00 C ATOM 622 C ASP A 36 -7.517 -3.614 -11.250 1.00 0.00 C ATOM 623 O ASP A 36 -7.338 -4.817 -11.059 1.00 0.00 O ATOM 624 CB ASP A 36 -9.597 -2.820 -10.110 1.00 0.00 C ATOM 625 CG ASP A 36 -10.179 -2.355 -8.789 1.00 0.00 C ATOM 626 OD1 ASP A 36 -9.640 -1.386 -8.212 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.171 -2.959 -8.331 1.00 0.00 O ATOM 0 H ASP A 36 -8.182 -0.834 -11.044 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.671 -3.069 -9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.014 -2.220 -10.919 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.896 -3.852 -10.292 1.00 0.00 H new ATOM 632 N SER A 37 -7.247 -3.018 -12.407 1.00 0.00 N ATOM 633 CA SER A 37 -6.713 -3.760 -13.543 1.00 0.00 C ATOM 634 C SER A 37 -6.125 -2.814 -14.584 1.00 0.00 C ATOM 635 O SER A 37 -6.331 -1.603 -14.525 1.00 0.00 O ATOM 636 CB SER A 37 -7.809 -4.617 -14.179 1.00 0.00 C ATOM 637 OG SER A 37 -8.206 -5.665 -13.311 1.00 0.00 O ATOM 0 H SER A 37 -7.389 -2.023 -12.582 1.00 0.00 H new ATOM 0 HA SER A 37 -5.917 -4.410 -13.178 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.670 -3.993 -14.418 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.448 -5.036 -15.118 1.00 0.00 H new ATOM 0 HG SER A 37 -7.671 -5.630 -12.490 1.00 0.00 H new ATOM 643 N GLU A 38 -5.388 -3.377 -15.538 1.00 0.00 N ATOM 644 CA GLU A 38 -4.769 -2.584 -16.593 1.00 0.00 C ATOM 645 C GLU A 38 -5.827 -1.947 -17.490 1.00 0.00 C ATOM 646 O GLU A 38 -5.688 -0.800 -17.913 1.00 0.00 O ATOM 647 CB GLU A 38 -3.831 -3.456 -17.432 1.00 0.00 C ATOM 648 CG GLU A 38 -2.396 -3.462 -16.933 1.00 0.00 C ATOM 649 CD GLU A 38 -1.551 -4.528 -17.602 1.00 0.00 C ATOM 650 OE1 GLU A 38 -1.858 -4.891 -18.757 1.00 0.00 O ATOM 651 OE2 GLU A 38 -0.582 -5.000 -16.970 1.00 0.00 O ATOM 0 H GLU A 38 -5.206 -4.379 -15.601 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.192 -1.788 -16.122 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.209 -4.479 -17.439 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.847 -3.104 -18.463 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.949 -2.484 -17.112 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.391 -3.623 -15.855 1.00 0.00 H new ATOM 658 N GLN A 39 -6.885 -2.699 -17.774 1.00 0.00 N ATOM 659 CA GLN A 39 -7.967 -2.207 -18.620 1.00 0.00 C ATOM 660 C GLN A 39 -8.607 -0.961 -18.014 1.00 0.00 C ATOM 661 O GLN A 39 -8.964 -0.025 -18.729 1.00 0.00 O ATOM 662 CB GLN A 39 -9.026 -3.294 -18.817 1.00 0.00 C ATOM 663 CG GLN A 39 -9.633 -3.795 -17.515 1.00 0.00 C ATOM 664 CD GLN A 39 -9.994 -5.266 -17.569 1.00 0.00 C ATOM 665 OE1 GLN A 39 -11.166 -5.632 -17.488 1.00 0.00 O ATOM 666 NE2 GLN A 39 -8.984 -6.119 -17.704 1.00 0.00 N ATOM 0 H GLN A 39 -7.017 -3.651 -17.431 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.544 -1.943 -19.589 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.821 -2.904 -19.453 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.578 -4.135 -19.347 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.927 -3.627 -16.701 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.526 -3.213 -17.287 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.027 -5.771 -17.767 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.165 -7.122 -17.744 1.00 0.00 H new ATOM 675 N ASP A 40 -8.746 -0.957 -16.692 1.00 0.00 N ATOM 676 CA ASP A 40 -9.342 0.174 -15.989 1.00 0.00 C ATOM 677 C ASP A 40 -8.391 1.366 -15.978 1.00 0.00 C ATOM 678 O ASP A 40 -8.823 2.519 -15.985 1.00 0.00 O ATOM 679 CB ASP A 40 -9.704 -0.224 -14.556 1.00 0.00 C ATOM 680 CG ASP A 40 -11.195 -0.146 -14.294 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.729 0.981 -14.234 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.828 -1.213 -14.148 1.00 0.00 O ATOM 0 H ASP A 40 -8.454 -1.724 -16.086 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.251 0.464 -16.516 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.357 -1.239 -14.365 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.180 0.428 -13.857 1.00 0.00 H new ATOM 687 N LYS A 41 -7.093 1.081 -15.961 1.00 0.00 N ATOM 688 CA LYS A 41 -6.079 2.129 -15.948 1.00 0.00 C ATOM 689 C LYS A 41 -6.062 2.883 -17.275 1.00 0.00 C ATOM 690 O LYS A 41 -6.070 4.113 -17.300 1.00 0.00 O ATOM 691 CB LYS A 41 -4.699 1.530 -15.671 1.00 0.00 C ATOM 692 CG LYS A 41 -3.805 2.426 -14.829 1.00 0.00 C ATOM 693 CD LYS A 41 -3.320 3.630 -15.620 1.00 0.00 C ATOM 694 CE LYS A 41 -1.832 3.870 -15.415 1.00 0.00 C ATOM 695 NZ LYS A 41 -1.013 2.727 -15.905 1.00 0.00 N ATOM 0 H LYS A 41 -6.718 0.132 -15.956 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.328 2.832 -15.153 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.823 0.574 -15.163 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.204 1.325 -16.620 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.352 2.764 -13.949 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.948 1.855 -14.472 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.522 3.475 -16.680 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.878 4.515 -15.315 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.536 4.779 -15.938 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.633 4.032 -14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.005 2.977 -15.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.191 1.892 -15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.270 2.513 -16.890 1.00 0.00 H new ATOM 709 N GLU A 42 -6.039 2.136 -18.373 1.00 0.00 N ATOM 710 CA GLU A 42 -6.022 2.731 -19.705 1.00 0.00 C ATOM 711 C GLU A 42 -7.252 3.603 -19.930 1.00 0.00 C ATOM 712 O GLU A 42 -7.231 4.521 -20.749 1.00 0.00 O ATOM 713 CB GLU A 42 -5.954 1.638 -20.773 1.00 0.00 C ATOM 714 CG GLU A 42 -4.670 0.824 -20.731 1.00 0.00 C ATOM 715 CD GLU A 42 -4.318 0.222 -22.077 1.00 0.00 C ATOM 716 OE1 GLU A 42 -4.768 -0.908 -22.358 1.00 0.00 O ATOM 717 OE2 GLU A 42 -3.594 0.882 -22.851 1.00 0.00 O ATOM 0 H GLU A 42 -6.032 1.116 -18.367 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.136 3.361 -19.782 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.804 0.967 -20.649 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.051 2.097 -21.757 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.851 1.461 -20.396 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.774 0.026 -19.996 1.00 0.00 H new ATOM 724 N GLN A 43 -8.326 3.310 -19.201 1.00 0.00 N ATOM 725 CA GLN A 43 -9.564 4.072 -19.328 1.00 0.00 C ATOM 726 C GLN A 43 -9.580 5.274 -18.383 1.00 0.00 C ATOM 727 O GLN A 43 -10.607 5.933 -18.226 1.00 0.00 O ATOM 728 CB GLN A 43 -10.768 3.171 -19.044 1.00 0.00 C ATOM 729 CG GLN A 43 -11.008 2.121 -20.115 1.00 0.00 C ATOM 730 CD GLN A 43 -11.631 2.700 -21.371 1.00 0.00 C ATOM 731 OE1 GLN A 43 -12.849 2.672 -21.541 1.00 0.00 O ATOM 732 NE2 GLN A 43 -10.794 3.229 -22.255 1.00 0.00 N ATOM 0 H GLN A 43 -8.364 2.553 -18.519 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.623 4.445 -20.351 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.621 2.673 -18.086 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.660 3.790 -18.948 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.061 1.645 -20.370 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.659 1.343 -19.716 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.791 3.229 -22.071 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.154 3.635 -23.119 1.00 0.00 H new ATOM 741 N SER A 44 -8.440 5.556 -17.756 1.00 0.00 N ATOM 742 CA SER A 44 -8.337 6.680 -16.833 1.00 0.00 C ATOM 743 C SER A 44 -9.354 6.555 -15.702 1.00 0.00 C ATOM 744 O SER A 44 -10.022 7.526 -15.342 1.00 0.00 O ATOM 745 CB SER A 44 -8.542 8.000 -17.579 1.00 0.00 C ATOM 746 OG SER A 44 -9.920 8.279 -17.752 1.00 0.00 O ATOM 0 H SER A 44 -7.578 5.023 -17.871 1.00 0.00 H new ATOM 0 HA SER A 44 -7.338 6.669 -16.398 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.070 8.812 -17.025 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.053 7.951 -18.552 1.00 0.00 H new ATOM 0 HG SER A 44 -10.330 7.575 -18.297 1.00 0.00 H new ATOM 752 N ASN A 45 -9.466 5.354 -15.143 1.00 0.00 N ATOM 753 CA ASN A 45 -10.402 5.103 -14.053 1.00 0.00 C ATOM 754 C ASN A 45 -9.658 4.696 -12.780 1.00 0.00 C ATOM 755 O ASN A 45 -9.592 3.516 -12.438 1.00 0.00 O ATOM 756 CB ASN A 45 -11.398 4.011 -14.454 1.00 0.00 C ATOM 757 CG ASN A 45 -12.839 4.460 -14.303 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.431 4.339 -13.231 1.00 0.00 O ATOM 759 ND2 ASN A 45 -13.412 4.983 -15.381 1.00 0.00 N ATOM 0 H ASN A 45 -8.921 4.540 -15.427 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.948 6.025 -13.851 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.217 3.720 -15.489 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.230 3.126 -13.840 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.380 5.303 -15.340 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.884 5.065 -16.250 1.00 0.00 H new ATOM 766 N PRO A 46 -9.086 5.677 -12.059 1.00 0.00 N ATOM 767 CA PRO A 46 -8.346 5.417 -10.821 1.00 0.00 C ATOM 768 C PRO A 46 -9.268 5.067 -9.658 1.00 0.00 C ATOM 769 O PRO A 46 -10.017 5.914 -9.170 1.00 0.00 O ATOM 770 CB PRO A 46 -7.630 6.741 -10.555 1.00 0.00 C ATOM 771 CG PRO A 46 -8.499 7.772 -11.189 1.00 0.00 C ATOM 772 CD PRO A 46 -9.115 7.115 -12.395 1.00 0.00 C ATOM 0 HA PRO A 46 -7.674 4.564 -10.917 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.515 6.922 -9.486 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.630 6.745 -10.988 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.268 8.113 -10.496 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.918 8.648 -11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -10.132 7.466 -12.567 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.547 7.327 -13.301 1.00 0.00 H new ATOM 780 N TYR A 47 -9.206 3.815 -9.215 1.00 0.00 N ATOM 781 CA TYR A 47 -10.034 3.355 -8.106 1.00 0.00 C ATOM 782 C TYR A 47 -9.756 4.172 -6.849 1.00 0.00 C ATOM 783 O TYR A 47 -10.651 4.404 -6.036 1.00 0.00 O ATOM 784 CB TYR A 47 -9.778 1.872 -7.833 1.00 0.00 C ATOM 785 CG TYR A 47 -10.662 1.294 -6.751 1.00 0.00 C ATOM 786 CD1 TYR A 47 -11.996 0.997 -7.003 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.164 1.042 -5.479 1.00 0.00 C ATOM 788 CE1 TYR A 47 -12.808 0.468 -6.019 1.00 0.00 C ATOM 789 CE2 TYR A 47 -10.970 0.513 -4.488 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.290 0.227 -4.763 1.00 0.00 C ATOM 791 OH TYR A 47 -13.095 -0.300 -3.781 1.00 0.00 O ATOM 0 H TYR A 47 -8.591 3.102 -9.607 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.080 3.490 -8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.931 1.310 -8.754 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.734 1.739 -7.548 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.405 1.183 -7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.130 1.263 -5.260 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -13.843 0.244 -6.231 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.567 0.325 -3.504 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.576 -0.409 -2.957 1.00 0.00 H new ATOM 801 N MET A 48 -8.510 4.607 -6.697 1.00 0.00 N ATOM 802 CA MET A 48 -8.112 5.401 -5.542 1.00 0.00 C ATOM 803 C MET A 48 -6.841 6.191 -5.840 1.00 0.00 C ATOM 804 O MET A 48 -6.047 5.805 -6.698 1.00 0.00 O ATOM 805 CB MET A 48 -7.894 4.497 -4.325 1.00 0.00 C ATOM 806 CG MET A 48 -8.599 4.987 -3.070 1.00 0.00 C ATOM 807 SD MET A 48 -7.507 5.925 -1.983 1.00 0.00 S ATOM 808 CE MET A 48 -6.271 4.688 -1.593 1.00 0.00 C ATOM 0 H MET A 48 -7.758 4.422 -7.361 1.00 0.00 H new ATOM 0 HA MET A 48 -8.914 6.106 -5.321 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.246 3.493 -4.561 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.825 4.422 -4.125 1.00 0.00 H new ATOM 0 HG2 MET A 48 -9.447 5.611 -3.354 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.001 4.132 -2.526 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.138 4.635 -0.512 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.597 3.717 -1.967 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.325 4.958 -2.062 1.00 0.00 H new ATOM 818 N VAL A 49 -6.656 7.297 -5.129 1.00 0.00 N ATOM 819 CA VAL A 49 -5.482 8.139 -5.321 1.00 0.00 C ATOM 820 C VAL A 49 -5.110 8.867 -4.034 1.00 0.00 C ATOM 821 O VAL A 49 -5.955 9.496 -3.397 1.00 0.00 O ATOM 822 CB VAL A 49 -5.711 9.173 -6.443 1.00 0.00 C ATOM 823 CG1 VAL A 49 -6.846 10.117 -6.079 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.431 9.946 -6.729 1.00 0.00 C ATOM 0 H VAL A 49 -7.303 7.631 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.662 7.481 -5.608 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.994 8.639 -7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.991 10.838 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.763 9.545 -5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.599 10.645 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.613 10.670 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.112 10.469 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.650 9.253 -7.042 1.00 0.00 H new ATOM 834 N LEU A 50 -3.838 8.776 -3.657 1.00 0.00 N ATOM 835 CA LEU A 50 -3.353 9.426 -2.446 1.00 0.00 C ATOM 836 C LEU A 50 -2.202 10.375 -2.765 1.00 0.00 C ATOM 837 O LEU A 50 -1.474 10.177 -3.736 1.00 0.00 O ATOM 838 CB LEU A 50 -2.897 8.381 -1.424 1.00 0.00 C ATOM 839 CG LEU A 50 -3.719 7.087 -1.406 1.00 0.00 C ATOM 840 CD1 LEU A 50 -2.919 5.933 -1.993 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.173 6.760 0.010 1.00 0.00 C ATOM 0 H LEU A 50 -3.126 8.259 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.174 10.004 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.856 8.129 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.930 8.828 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.605 7.237 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.521 5.025 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.649 6.164 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.013 5.783 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.755 5.838 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.301 6.633 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.789 7.574 0.392 1.00 0.00 H new ATOM 853 N ASP A 51 -2.043 11.404 -1.940 1.00 0.00 N ATOM 854 CA ASP A 51 -0.978 12.382 -2.137 1.00 0.00 C ATOM 855 C ASP A 51 0.277 11.984 -1.367 1.00 0.00 C ATOM 856 O ASP A 51 0.214 11.663 -0.179 1.00 0.00 O ATOM 857 CB ASP A 51 -1.444 13.770 -1.694 1.00 0.00 C ATOM 858 CG ASP A 51 -2.468 14.366 -2.641 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.583 13.812 -2.735 1.00 0.00 O ATOM 860 OD2 ASP A 51 -2.153 15.386 -3.290 1.00 0.00 O ATOM 0 H ASP A 51 -2.636 11.583 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.736 12.409 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.873 13.704 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.583 14.435 -1.628 1.00 0.00 H new ATOM 865 N ILE A 52 1.416 12.005 -2.050 1.00 0.00 N ATOM 866 CA ILE A 52 2.687 11.649 -1.431 1.00 0.00 C ATOM 867 C ILE A 52 2.985 12.552 -0.240 1.00 0.00 C ATOM 868 O ILE A 52 3.499 12.101 0.784 1.00 0.00 O ATOM 869 CB ILE A 52 3.849 11.740 -2.443 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.567 10.849 -3.655 1.00 0.00 C ATOM 871 CG2 ILE A 52 5.170 11.355 -1.786 1.00 0.00 C ATOM 872 CD1 ILE A 52 3.616 9.368 -3.344 1.00 0.00 C ATOM 0 H ILE A 52 1.485 12.265 -3.034 1.00 0.00 H new ATOM 0 HA ILE A 52 2.599 10.618 -1.087 1.00 0.00 H new ATOM 0 HB ILE A 52 3.931 12.772 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.583 11.095 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.294 11.072 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.975 11.426 -2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.374 12.031 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.107 10.332 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.407 8.799 -4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.607 9.107 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.870 9.131 -2.586 1.00 0.00 H new ATOM 884 N ASP A 53 2.655 13.833 -0.380 1.00 0.00 N ATOM 885 CA ASP A 53 2.882 14.801 0.685 1.00 0.00 C ATOM 886 C ASP A 53 1.955 14.534 1.864 1.00 0.00 C ATOM 887 O ASP A 53 2.308 14.793 3.016 1.00 0.00 O ATOM 888 CB ASP A 53 2.668 16.222 0.161 1.00 0.00 C ATOM 889 CG ASP A 53 2.954 17.276 1.213 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.174 17.374 2.183 1.00 0.00 O ATOM 891 OD2 ASP A 53 3.958 18.005 1.066 1.00 0.00 O ATOM 0 H ASP A 53 2.230 14.223 -1.221 1.00 0.00 H new ATOM 0 HA ASP A 53 3.912 14.699 1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.313 16.389 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.640 16.328 -0.185 1.00 0.00 H new ATOM 896 N LYS A 54 0.769 14.011 1.570 1.00 0.00 N ATOM 897 CA LYS A 54 -0.210 13.703 2.606 1.00 0.00 C ATOM 898 C LYS A 54 0.291 12.582 3.511 1.00 0.00 C ATOM 899 O LYS A 54 -0.117 12.475 4.667 1.00 0.00 O ATOM 900 CB LYS A 54 -1.545 13.306 1.975 1.00 0.00 C ATOM 901 CG LYS A 54 -2.494 14.476 1.773 1.00 0.00 C ATOM 902 CD LYS A 54 -3.899 14.003 1.442 1.00 0.00 C ATOM 903 CE LYS A 54 -4.932 15.075 1.745 1.00 0.00 C ATOM 904 NZ LYS A 54 -6.303 14.659 1.335 1.00 0.00 N ATOM 0 H LYS A 54 0.463 13.792 0.622 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.355 14.598 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.356 12.832 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.029 12.561 2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.518 15.086 2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.124 15.111 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.954 13.731 0.388 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.126 13.104 2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.924 15.295 2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.662 15.996 1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.978 15.418 1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.318 14.473 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.571 13.795 1.848 1.00 0.00 H new ATOM 918 N LEU A 55 1.179 11.745 2.977 1.00 0.00 N ATOM 919 CA LEU A 55 1.733 10.631 3.740 1.00 0.00 C ATOM 920 C LEU A 55 2.347 11.116 5.049 1.00 0.00 C ATOM 921 O LEU A 55 2.965 12.179 5.101 1.00 0.00 O ATOM 922 CB LEU A 55 2.791 9.892 2.913 1.00 0.00 C ATOM 923 CG LEU A 55 2.274 9.195 1.650 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.292 8.182 1.151 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.937 8.516 1.917 1.00 0.00 C ATOM 0 H LEU A 55 1.529 11.818 2.022 1.00 0.00 H new ATOM 0 HA LEU A 55 0.918 9.946 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.563 10.605 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.268 9.146 3.549 1.00 0.00 H new ATOM 0 HG LEU A 55 2.126 9.950 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.911 7.695 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.228 8.691 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.469 7.433 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.589 8.028 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.058 7.772 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.207 9.262 2.231 1.00 0.00 H new ATOM 937 N PHE A 56 2.170 10.329 6.104 1.00 0.00 N ATOM 938 CA PHE A 56 2.707 10.678 7.413 1.00 0.00 C ATOM 939 C PHE A 56 3.859 9.755 7.793 1.00 0.00 C ATOM 940 O PHE A 56 4.826 10.184 8.424 1.00 0.00 O ATOM 941 CB PHE A 56 1.608 10.600 8.475 1.00 0.00 C ATOM 942 CG PHE A 56 0.653 11.758 8.436 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.108 13.055 8.608 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.700 11.548 8.227 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.230 14.122 8.571 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.582 12.610 8.190 1.00 0.00 C ATOM 947 CZ PHE A 56 -1.117 13.899 8.362 1.00 0.00 C ATOM 0 H PHE A 56 1.660 9.446 6.078 1.00 0.00 H new ATOM 0 HA PHE A 56 3.084 11.699 7.362 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.049 9.674 8.341 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.070 10.553 9.461 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.160 13.235 8.773 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.069 10.542 8.091 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.597 15.129 8.705 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.635 12.433 8.027 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.805 14.731 8.333 1.00 0.00 H new ATOM 957 N HIS A 57 3.750 8.488 7.408 1.00 0.00 N ATOM 958 CA HIS A 57 4.788 7.509 7.714 1.00 0.00 C ATOM 959 C HIS A 57 4.447 6.139 7.134 1.00 0.00 C ATOM 960 O HIS A 57 3.364 5.604 7.372 1.00 0.00 O ATOM 961 CB HIS A 57 4.979 7.396 9.228 1.00 0.00 C ATOM 962 CG HIS A 57 6.407 7.221 9.641 1.00 0.00 C ATOM 963 ND1 HIS A 57 7.213 6.212 9.154 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.173 7.927 10.505 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.412 6.309 9.700 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.414 7.341 10.523 1.00 0.00 N ATOM 0 H HIS A 57 2.957 8.115 6.886 1.00 0.00 H new ATOM 0 HA HIS A 57 5.715 7.853 7.256 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.579 8.291 9.704 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.397 6.552 9.597 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.865 8.791 11.075 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.249 5.655 9.506 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.209 7.652 11.082 1.00 0.00 H new ATOM 975 N VAL A 58 5.383 5.575 6.376 1.00 0.00 N ATOM 976 CA VAL A 58 5.194 4.263 5.767 1.00 0.00 C ATOM 977 C VAL A 58 6.299 3.305 6.201 1.00 0.00 C ATOM 978 O VAL A 58 7.478 3.542 5.937 1.00 0.00 O ATOM 979 CB VAL A 58 5.165 4.352 4.227 1.00 0.00 C ATOM 980 CG1 VAL A 58 6.362 5.135 3.711 1.00 0.00 C ATOM 981 CG2 VAL A 58 5.117 2.963 3.604 1.00 0.00 C ATOM 0 H VAL A 58 6.283 6.008 6.169 1.00 0.00 H new ATOM 0 HA VAL A 58 4.231 3.883 6.109 1.00 0.00 H new ATOM 0 HB VAL A 58 4.259 4.884 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.322 5.186 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.341 6.144 4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.282 4.637 4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.097 3.052 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.999 2.398 3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.220 2.443 3.942 1.00 0.00 H new ATOM 991 N ARG A 59 5.912 2.224 6.870 1.00 0.00 N ATOM 992 CA ARG A 59 6.870 1.232 7.343 1.00 0.00 C ATOM 993 C ARG A 59 6.261 -0.168 7.319 1.00 0.00 C ATOM 994 O ARG A 59 5.039 -0.322 7.320 1.00 0.00 O ATOM 995 CB ARG A 59 7.333 1.576 8.760 1.00 0.00 C ATOM 996 CG ARG A 59 8.320 2.732 8.814 1.00 0.00 C ATOM 997 CD ARG A 59 9.726 2.280 8.451 1.00 0.00 C ATOM 998 NE ARG A 59 10.466 1.810 9.620 1.00 0.00 N ATOM 999 CZ ARG A 59 11.542 1.032 9.553 1.00 0.00 C ATOM 1000 NH1 ARG A 59 12.011 0.635 8.376 1.00 0.00 N ATOM 1001 NH2 ARG A 59 12.154 0.650 10.666 1.00 0.00 N ATOM 0 H ARG A 59 4.940 2.013 7.097 1.00 0.00 H new ATOM 0 HA ARG A 59 7.730 1.245 6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.463 1.824 9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.793 0.695 9.207 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.001 3.517 8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.322 3.164 9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.671 1.482 7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.265 3.107 7.988 1.00 0.00 H new ATOM 0 HE ARG A 59 10.137 2.096 10.542 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.545 0.927 7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.837 0.038 8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.799 0.953 11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.980 0.053 10.615 1.00 0.00 H new ATOM 1015 N PRO A 60 7.107 -1.213 7.299 1.00 0.00 N ATOM 1016 CA PRO A 60 6.645 -2.606 7.277 1.00 0.00 C ATOM 1017 C PRO A 60 5.781 -2.947 8.486 1.00 0.00 C ATOM 1018 O PRO A 60 5.971 -2.398 9.572 1.00 0.00 O ATOM 1019 CB PRO A 60 7.943 -3.424 7.299 1.00 0.00 C ATOM 1020 CG PRO A 60 8.993 -2.482 7.779 1.00 0.00 C ATOM 1021 CD PRO A 60 8.575 -1.123 7.299 1.00 0.00 C ATOM 0 HA PRO A 60 6.018 -2.809 6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.854 -4.285 7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.183 -3.808 6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.072 -2.505 8.866 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.972 -2.753 7.383 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.932 -0.333 7.960 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.967 -0.907 6.305 1.00 0.00 H new ATOM 1029 N VAL A 61 4.832 -3.855 8.293 1.00 0.00 N ATOM 1030 CA VAL A 61 3.939 -4.268 9.370 1.00 0.00 C ATOM 1031 C VAL A 61 4.464 -5.516 10.070 1.00 0.00 C ATOM 1032 O VAL A 61 5.469 -6.096 9.659 1.00 0.00 O ATOM 1033 CB VAL A 61 2.516 -4.547 8.847 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.903 -3.282 8.267 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.532 -5.663 7.813 1.00 0.00 C ATOM 0 H VAL A 61 4.661 -4.320 7.401 1.00 0.00 H new ATOM 0 HA VAL A 61 3.900 -3.443 10.082 1.00 0.00 H new ATOM 0 HB VAL A 61 1.900 -4.872 9.685 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.899 -3.498 7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.851 -2.515 9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.519 -2.924 7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.518 -5.844 7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.165 -5.373 6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.925 -6.573 8.266 1.00 0.00 H new ATOM 1045 N THR A 62 3.778 -5.924 11.134 1.00 0.00 N ATOM 1046 CA THR A 62 4.176 -7.104 11.893 1.00 0.00 C ATOM 1047 C THR A 62 3.033 -8.109 11.971 1.00 0.00 C ATOM 1048 O THR A 62 1.994 -7.933 11.335 1.00 0.00 O ATOM 1049 CB THR A 62 4.618 -6.703 13.300 1.00 0.00 C ATOM 1050 OG1 THR A 62 3.524 -6.204 14.047 1.00 0.00 O ATOM 1051 CG2 THR A 62 5.701 -5.645 13.309 1.00 0.00 C ATOM 0 H THR A 62 2.945 -5.455 11.489 1.00 0.00 H new ATOM 0 HA THR A 62 5.014 -7.574 11.378 1.00 0.00 H new ATOM 0 HB THR A 62 5.018 -7.613 13.747 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.828 -5.955 14.945 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.968 -5.407 14.338 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.580 -6.019 12.783 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.336 -4.746 12.811 1.00 0.00 H new ATOM 1059 N GLN A 63 3.229 -9.163 12.755 1.00 0.00 N ATOM 1060 CA GLN A 63 2.213 -10.196 12.917 1.00 0.00 C ATOM 1061 C GLN A 63 0.978 -9.654 13.634 1.00 0.00 C ATOM 1062 O GLN A 63 -0.077 -10.287 13.629 1.00 0.00 O ATOM 1063 CB GLN A 63 2.783 -11.386 13.691 1.00 0.00 C ATOM 1064 CG GLN A 63 1.948 -12.650 13.563 1.00 0.00 C ATOM 1065 CD GLN A 63 2.248 -13.419 12.290 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.407 -13.675 11.965 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.201 -13.790 11.564 1.00 0.00 N ATOM 0 H GLN A 63 4.083 -9.325 13.289 1.00 0.00 H new ATOM 0 HA GLN A 63 1.913 -10.525 11.922 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.793 -11.590 13.336 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.864 -11.119 14.745 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.133 -13.293 14.424 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.891 -12.386 13.584 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.258 -13.556 11.873 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.340 -14.310 10.697 1.00 0.00 H new ATOM 1076 N THR A 64 1.112 -8.483 14.250 1.00 0.00 N ATOM 1077 CA THR A 64 0.001 -7.866 14.967 1.00 0.00 C ATOM 1078 C THR A 64 -0.971 -7.197 14.000 1.00 0.00 C ATOM 1079 O THR A 64 -2.170 -7.115 14.267 1.00 0.00 O ATOM 1080 CB THR A 64 0.524 -6.840 15.975 1.00 0.00 C ATOM 1081 OG1 THR A 64 0.957 -5.665 15.313 1.00 0.00 O ATOM 1082 CG2 THR A 64 1.679 -7.353 16.807 1.00 0.00 C ATOM 0 H THR A 64 1.977 -7.943 14.267 1.00 0.00 H new ATOM 0 HA THR A 64 -0.533 -8.652 15.501 1.00 0.00 H new ATOM 0 HB THR A 64 -0.315 -6.633 16.639 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.814 -5.836 14.870 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.001 -6.576 17.500 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.361 -8.232 17.368 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.508 -7.621 16.152 1.00 0.00 H new ATOM 1090 N ASP A 65 -0.445 -6.718 12.877 1.00 0.00 N ATOM 1091 CA ASP A 65 -1.267 -6.054 11.871 1.00 0.00 C ATOM 1092 C ASP A 65 -2.307 -7.008 11.292 1.00 0.00 C ATOM 1093 O ASP A 65 -3.368 -6.583 10.836 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.386 -5.502 10.749 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.925 -4.207 10.173 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -2.080 -4.204 9.700 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -0.192 -3.195 10.196 1.00 0.00 O ATOM 0 H ASP A 65 0.546 -6.777 12.641 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.791 -5.230 12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.621 -5.335 11.131 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.307 -6.244 9.955 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.996 -8.300 11.312 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.903 -9.313 10.789 1.00 0.00 C ATOM 1104 C VAL A 66 -2.992 -10.507 11.734 1.00 0.00 C ATOM 1105 O VAL A 66 -2.382 -10.512 12.802 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.455 -9.802 9.397 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.890 -8.821 8.320 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.948 -10.010 9.361 1.00 0.00 C ATOM 0 H VAL A 66 -1.122 -8.670 11.685 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.885 -8.848 10.702 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.935 -10.760 9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.565 -9.183 7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.976 -8.729 8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.442 -7.846 8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.652 -10.355 8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.445 -9.069 9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.666 -10.756 10.104 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.759 -11.515 11.335 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.928 -12.714 12.147 1.00 0.00 C ATOM 1120 C TYR A 67 -4.083 -13.949 11.267 1.00 0.00 C ATOM 1121 O TYR A 67 -3.444 -14.975 11.503 1.00 0.00 O ATOM 1122 CB TYR A 67 -5.147 -12.567 13.062 1.00 0.00 C ATOM 1123 CG TYR A 67 -6.451 -12.410 12.314 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.892 -11.158 11.906 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -7.238 -13.513 12.013 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -8.084 -11.010 11.221 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.431 -13.375 11.328 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.849 -12.121 10.935 1.00 0.00 C ATOM 1129 OH TYR A 67 -10.036 -11.978 10.252 1.00 0.00 O ATOM 0 H TYR A 67 -4.274 -11.526 10.454 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.035 -12.838 12.760 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.212 -13.442 13.709 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.003 -11.702 13.709 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.294 -10.286 12.127 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.913 -14.496 12.319 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.414 -10.029 10.912 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.032 -14.244 11.102 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.452 -12.857 10.131 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.938 -13.845 10.254 1.00 0.00 N ATOM 1140 CA ARG A 68 -5.178 -14.955 9.340 1.00 0.00 C ATOM 1141 C ARG A 68 -4.052 -15.077 8.314 1.00 0.00 C ATOM 1142 O ARG A 68 -3.878 -16.126 7.695 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.519 -14.773 8.626 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.556 -13.571 7.694 1.00 0.00 C ATOM 1145 CD ARG A 68 -6.442 -13.991 6.238 1.00 0.00 C ATOM 1146 NE ARG A 68 -7.518 -14.897 5.843 1.00 0.00 N ATOM 1147 CZ ARG A 68 -7.467 -15.687 4.773 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -6.397 -15.687 3.988 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -8.490 -16.480 4.487 1.00 0.00 N ATOM 0 H ARG A 68 -5.476 -13.003 10.046 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.207 -15.873 9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.741 -15.673 8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.307 -14.668 9.372 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.486 -13.022 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.741 -12.891 7.943 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.462 -13.105 5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.480 -14.478 6.075 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.358 -14.926 6.421 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.607 -15.079 4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.365 -16.295 3.170 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.315 -16.484 5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.452 -17.086 3.667 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.291 -13.999 8.137 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.185 -13.993 7.186 1.00 0.00 C ATOM 1165 C ALA A 69 -1.181 -15.100 7.498 1.00 0.00 C ATOM 1166 O ALA A 69 -1.468 -16.008 8.277 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.497 -12.635 7.193 1.00 0.00 C ATOM 0 H ALA A 69 -3.421 -13.121 8.639 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.591 -14.181 6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.673 -12.641 6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.213 -11.863 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.111 -12.428 8.191 1.00 0.00 H new ATOM 1173 N ASP A 70 -0.005 -15.018 6.883 1.00 0.00 N ATOM 1174 CA ASP A 70 1.038 -16.014 7.094 1.00 0.00 C ATOM 1175 C ASP A 70 2.337 -15.353 7.546 1.00 0.00 C ATOM 1176 O ASP A 70 2.660 -14.243 7.120 1.00 0.00 O ATOM 1177 CB ASP A 70 1.274 -16.815 5.813 1.00 0.00 C ATOM 1178 CG ASP A 70 1.299 -18.311 6.063 1.00 0.00 C ATOM 1179 OD1 ASP A 70 2.156 -18.767 6.849 1.00 0.00 O ATOM 1180 OD2 ASP A 70 0.463 -19.025 5.473 1.00 0.00 O ATOM 0 H ASP A 70 0.249 -14.272 6.235 1.00 0.00 H new ATOM 0 HA ASP A 70 0.706 -16.693 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.490 -16.583 5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.219 -16.508 5.365 1.00 0.00 H new ATOM 1185 N ALA A 71 3.078 -16.043 8.409 1.00 0.00 N ATOM 1186 CA ALA A 71 4.343 -15.525 8.921 1.00 0.00 C ATOM 1187 C ALA A 71 5.263 -15.084 7.786 1.00 0.00 C ATOM 1188 O ALA A 71 6.069 -14.169 7.949 1.00 0.00 O ATOM 1189 CB ALA A 71 5.030 -16.576 9.780 1.00 0.00 C ATOM 0 H ALA A 71 2.824 -16.963 8.769 1.00 0.00 H new ATOM 0 HA ALA A 71 4.126 -14.650 9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.973 -16.179 10.157 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.386 -16.838 10.619 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.225 -17.465 9.181 1.00 0.00 H new ATOM 1195 N LYS A 72 5.136 -15.740 6.638 1.00 0.00 N ATOM 1196 CA LYS A 72 5.954 -15.413 5.477 1.00 0.00 C ATOM 1197 C LYS A 72 5.435 -14.160 4.779 1.00 0.00 C ATOM 1198 O LYS A 72 6.190 -13.446 4.119 1.00 0.00 O ATOM 1199 CB LYS A 72 5.977 -16.586 4.495 1.00 0.00 C ATOM 1200 CG LYS A 72 6.342 -17.912 5.142 1.00 0.00 C ATOM 1201 CD LYS A 72 6.912 -18.889 4.126 1.00 0.00 C ATOM 1202 CE LYS A 72 5.842 -19.830 3.596 1.00 0.00 C ATOM 1203 NZ LYS A 72 5.992 -20.074 2.134 1.00 0.00 N ATOM 0 H LYS A 72 4.474 -16.501 6.487 1.00 0.00 H new ATOM 0 HA LYS A 72 6.969 -15.219 5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.997 -16.677 4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.691 -16.370 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.071 -17.743 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.458 -18.346 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.355 -18.337 3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.712 -19.469 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.896 -20.779 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.857 -19.408 3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.244 -20.720 1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.915 -19.172 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.922 -20.500 1.947 1.00 0.00 H new ATOM 1217 N GLU A 73 4.141 -13.899 4.929 1.00 0.00 N ATOM 1218 CA GLU A 73 3.518 -12.732 4.314 1.00 0.00 C ATOM 1219 C GLU A 73 3.796 -11.469 5.124 1.00 0.00 C ATOM 1220 O GLU A 73 4.042 -10.404 4.561 1.00 0.00 O ATOM 1221 CB GLU A 73 2.008 -12.947 4.184 1.00 0.00 C ATOM 1222 CG GLU A 73 1.636 -14.209 3.423 1.00 0.00 C ATOM 1223 CD GLU A 73 1.812 -14.061 1.925 1.00 0.00 C ATOM 1224 OE1 GLU A 73 2.906 -13.642 1.495 1.00 0.00 O ATOM 1225 OE2 GLU A 73 0.854 -14.363 1.182 1.00 0.00 O ATOM 0 H GLU A 73 3.502 -14.480 5.472 1.00 0.00 H new ATOM 0 HA GLU A 73 3.950 -12.603 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.569 -12.991 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.569 -12.086 3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.251 -15.037 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.599 -14.467 3.639 1.00 0.00 H new ATOM 1232 N ILE A 74 3.749 -11.596 6.449 1.00 0.00 N ATOM 1233 CA ILE A 74 3.989 -10.464 7.343 1.00 0.00 C ATOM 1234 C ILE A 74 5.182 -9.618 6.890 1.00 0.00 C ATOM 1235 O ILE A 74 5.063 -8.401 6.745 1.00 0.00 O ATOM 1236 CB ILE A 74 4.223 -10.929 8.796 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.124 -11.900 9.237 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.282 -9.730 9.731 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.722 -11.398 8.964 1.00 0.00 C ATOM 0 H ILE A 74 3.546 -12.473 6.928 1.00 0.00 H new ATOM 0 HA ILE A 74 3.089 -9.850 7.303 1.00 0.00 H new ATOM 0 HB ILE A 74 5.178 -11.452 8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.266 -12.852 8.725 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.230 -12.094 10.304 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.447 -10.073 10.752 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.100 -9.075 9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.341 -9.182 9.680 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.998 -12.139 9.303 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.560 -10.462 9.498 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.597 -11.232 7.894 1.00 0.00 H new ATOM 1251 N PRO A 75 6.353 -10.245 6.661 1.00 0.00 N ATOM 1252 CA PRO A 75 7.555 -9.523 6.224 1.00 0.00 C ATOM 1253 C PRO A 75 7.404 -8.913 4.833 1.00 0.00 C ATOM 1254 O PRO A 75 8.230 -8.100 4.413 1.00 0.00 O ATOM 1255 CB PRO A 75 8.643 -10.600 6.218 1.00 0.00 C ATOM 1256 CG PRO A 75 7.906 -11.887 6.084 1.00 0.00 C ATOM 1257 CD PRO A 75 6.604 -11.692 6.805 1.00 0.00 C ATOM 0 HA PRO A 75 7.774 -8.680 6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.338 -10.455 5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.230 -10.574 7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.739 -12.134 5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.474 -12.710 6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.805 -12.286 6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.675 -11.986 7.852 1.00 0.00 H new ATOM 1265 N ARG A 76 6.353 -9.306 4.118 1.00 0.00 N ATOM 1266 CA ARG A 76 6.112 -8.792 2.773 1.00 0.00 C ATOM 1267 C ARG A 76 4.966 -7.780 2.755 1.00 0.00 C ATOM 1268 O ARG A 76 4.551 -7.323 1.690 1.00 0.00 O ATOM 1269 CB ARG A 76 5.802 -9.943 1.815 1.00 0.00 C ATOM 1270 CG ARG A 76 6.755 -11.119 1.948 1.00 0.00 C ATOM 1271 CD ARG A 76 6.497 -12.173 0.882 1.00 0.00 C ATOM 1272 NE ARG A 76 5.954 -13.405 1.450 1.00 0.00 N ATOM 1273 CZ ARG A 76 5.605 -14.466 0.726 1.00 0.00 C ATOM 1274 NH1 ARG A 76 5.740 -14.450 -0.594 1.00 0.00 N ATOM 1275 NH2 ARG A 76 5.121 -15.546 1.323 1.00 0.00 N ATOM 0 H ARG A 76 5.657 -9.976 4.446 1.00 0.00 H new ATOM 0 HA ARG A 76 7.018 -8.282 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.784 -10.289 1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.837 -9.572 0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.783 -10.765 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.646 -11.566 2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.801 -11.777 0.142 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.427 -12.394 0.358 1.00 0.00 H new ATOM 0 HE ARG A 76 5.835 -13.455 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.113 -13.622 -1.059 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.471 -15.266 -1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.016 -15.564 2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.854 -16.359 0.768 1.00 0.00 H new ATOM 1289 N ILE A 77 4.455 -7.431 3.934 1.00 0.00 N ATOM 1290 CA ILE A 77 3.359 -6.473 4.037 1.00 0.00 C ATOM 1291 C ILE A 77 3.818 -5.179 4.702 1.00 0.00 C ATOM 1292 O ILE A 77 4.451 -5.202 5.758 1.00 0.00 O ATOM 1293 CB ILE A 77 2.174 -7.059 4.832 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.725 -8.381 4.211 1.00 0.00 C ATOM 1295 CG2 ILE A 77 1.016 -6.071 4.876 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.941 -9.265 5.157 1.00 0.00 C ATOM 0 H ILE A 77 4.782 -7.797 4.828 1.00 0.00 H new ATOM 0 HA ILE A 77 3.031 -6.256 3.020 1.00 0.00 H new ATOM 0 HB ILE A 77 2.502 -7.246 5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.113 -8.170 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.603 -8.925 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.190 -6.503 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.342 -5.149 5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.685 -5.852 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.657 -10.184 4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.557 -9.507 6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.044 -8.741 5.485 1.00 0.00 H new ATOM 1308 N PHE A 78 3.490 -4.051 4.078 1.00 0.00 N ATOM 1309 CA PHE A 78 3.863 -2.745 4.611 1.00 0.00 C ATOM 1310 C PHE A 78 2.635 -1.852 4.765 1.00 0.00 C ATOM 1311 O PHE A 78 1.611 -2.075 4.120 1.00 0.00 O ATOM 1312 CB PHE A 78 4.893 -2.069 3.702 1.00 0.00 C ATOM 1313 CG PHE A 78 4.488 -2.027 2.257 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.572 -3.162 1.464 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.025 -0.851 1.688 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.202 -3.122 0.133 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.655 -0.806 0.357 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.743 -1.943 -0.421 1.00 0.00 C ATOM 0 H PHE A 78 2.967 -4.015 3.203 1.00 0.00 H new ATOM 0 HA PHE A 78 4.307 -2.896 5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.061 -1.051 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.843 -2.597 3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.930 -4.087 1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.952 0.041 2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.272 -4.013 -0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.297 0.118 -0.074 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.453 -1.911 -1.461 1.00 0.00 H new ATOM 1328 N GLN A 79 2.741 -0.850 5.630 1.00 0.00 N ATOM 1329 CA GLN A 79 1.636 0.070 5.876 1.00 0.00 C ATOM 1330 C GLN A 79 2.030 1.509 5.554 1.00 0.00 C ATOM 1331 O GLN A 79 3.158 1.928 5.813 1.00 0.00 O ATOM 1332 CB GLN A 79 1.180 -0.032 7.333 1.00 0.00 C ATOM 1333 CG GLN A 79 0.037 0.907 7.682 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.295 0.895 9.161 1.00 0.00 C ATOM 1335 OE1 GLN A 79 0.132 1.771 9.913 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -1.063 -0.104 9.586 1.00 0.00 N ATOM 0 H GLN A 79 3.582 -0.654 6.173 1.00 0.00 H new ATOM 0 HA GLN A 79 0.813 -0.212 5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.872 -1.057 7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.027 0.182 7.985 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.299 1.921 7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.848 0.624 7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.394 -0.808 8.927 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.321 -0.166 10.571 1.00 0.00 H new ATOM 1345 N ILE A 80 1.089 2.262 4.990 1.00 0.00 N ATOM 1346 CA ILE A 80 1.330 3.657 4.636 1.00 0.00 C ATOM 1347 C ILE A 80 0.263 4.561 5.241 1.00 0.00 C ATOM 1348 O ILE A 80 -0.915 4.456 4.900 1.00 0.00 O ATOM 1349 CB ILE A 80 1.342 3.869 3.107 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.113 2.748 2.403 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.945 5.224 2.766 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.478 2.304 1.103 1.00 0.00 C ATOM 0 H ILE A 80 0.151 1.928 4.768 1.00 0.00 H new ATOM 0 HA ILE A 80 2.310 3.915 5.037 1.00 0.00 H new ATOM 0 HB ILE A 80 0.312 3.844 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.130 3.086 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.187 1.892 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.947 5.360 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.353 6.013 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.968 5.271 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.076 1.508 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.471 1.935 1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.429 3.148 0.415 1.00 0.00 H new ATOM 1364 N LEU A 81 0.678 5.451 6.137 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.254 6.371 6.781 1.00 0.00 C ATOM 1366 C LEU A 81 -0.396 7.654 5.970 1.00 0.00 C ATOM 1367 O LEU A 81 0.598 8.245 5.546 1.00 0.00 O ATOM 1368 CB LEU A 81 0.210 6.701 8.200 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.760 7.562 9.012 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -1.853 6.700 9.625 1.00 0.00 C ATOM 1371 CD2 LEU A 81 -0.018 8.334 10.093 1.00 0.00 C ATOM 0 H LEU A 81 1.649 5.555 6.433 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.227 5.882 6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.381 5.768 8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.169 7.216 8.142 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.226 8.281 8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.534 7.329 10.199 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.406 6.196 8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.404 5.957 10.284 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.726 8.940 10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.478 7.634 10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.726 8.983 9.631 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.636 8.078 5.756 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.908 9.291 4.994 1.00 0.00 C ATOM 1385 C TYR A 82 -3.093 10.049 5.584 1.00 0.00 C ATOM 1386 O TYR A 82 -4.032 9.445 6.103 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.190 8.945 3.532 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.158 7.796 3.362 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.776 6.495 3.661 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.453 8.014 2.907 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.658 5.442 3.510 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.340 6.965 2.756 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.938 5.682 3.058 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.819 4.634 2.908 1.00 0.00 O ATOM 0 H TYR A 82 -2.469 7.600 6.099 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.026 9.930 5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.591 9.825 3.029 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.251 8.695 3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.775 6.303 4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.771 9.018 2.668 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.346 4.435 3.745 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.344 7.150 2.403 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.679 4.973 2.582 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.043 11.375 5.501 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.114 12.212 6.026 1.00 0.00 C ATOM 1406 C ALA A 83 -5.366 12.112 5.159 1.00 0.00 C ATOM 1407 O ALA A 83 -5.327 12.396 3.961 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.652 13.659 6.124 1.00 0.00 C ATOM 0 H ALA A 83 -2.273 11.891 5.076 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.366 11.853 7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.462 14.274 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.792 13.722 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.371 14.019 5.134 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.475 11.710 5.770 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.736 11.578 5.051 1.00 0.00 C ATOM 1416 C ASN A 84 -8.602 12.820 5.247 1.00 0.00 C ATOM 1417 O ASN A 84 -9.197 13.332 4.299 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.487 10.323 5.518 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.184 10.514 6.854 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -8.494 10.179 7.935 1.00 0.00 O flip ATOM 1421 ND2 ASN A 84 -10.332 10.955 6.910 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.526 11.470 6.760 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.516 11.479 3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.225 10.046 4.765 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.784 9.493 5.596 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.826 11.200 6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.789 11.075 7.814 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.664 13.297 6.486 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.453 14.479 6.813 1.00 0.00 C ATOM 1430 C GLU A 85 -8.585 15.542 7.481 1.00 0.00 C ATOM 1431 O GLU A 85 -8.697 16.729 7.176 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.616 14.103 7.733 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.795 13.487 6.999 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.751 12.770 7.932 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -12.304 11.850 8.648 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.948 13.128 7.948 1.00 0.00 O ATOM 0 H GLU A 85 -8.177 12.883 7.281 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.851 14.889 5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.260 13.400 8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.953 14.994 8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.334 14.269 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.426 12.784 6.252 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.722 15.106 8.395 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.849 16.030 9.090 1.00 0.00 C ATOM 1445 C GLY A 86 -5.489 15.431 9.390 1.00 0.00 C ATOM 1446 O GLY A 86 -4.617 15.389 8.522 1.00 0.00 O ATOM 0 H GLY A 86 -7.613 14.128 8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.721 16.928 8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.321 16.338 10.023 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.306 14.969 10.624 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.039 14.372 11.034 1.00 0.00 C ATOM 1452 C ILE A 87 -4.269 13.107 11.855 1.00 0.00 C ATOM 1453 O ILE A 87 -3.932 12.005 11.425 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.188 15.353 11.866 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.375 16.789 11.370 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.720 14.956 11.809 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.496 17.527 12.066 1.00 0.00 C ATOM 0 H ILE A 87 -6.017 14.996 11.355 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.502 14.124 10.118 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.522 15.306 12.902 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.445 17.339 11.514 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.573 16.772 10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.130 15.657 12.400 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.599 13.950 12.211 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.377 14.977 10.774 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.571 18.538 11.664 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.436 17.000 11.901 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.291 17.576 13.135 1.00 0.00 H new ATOM 1469 N SER A 88 -4.842 13.276 13.042 1.00 0.00 N ATOM 1470 CA SER A 88 -5.114 12.148 13.927 1.00 0.00 C ATOM 1471 C SER A 88 -6.027 11.128 13.252 1.00 0.00 C ATOM 1472 O SER A 88 -5.927 9.928 13.505 1.00 0.00 O ATOM 1473 CB SER A 88 -5.753 12.639 15.228 1.00 0.00 C ATOM 1474 OG SER A 88 -5.867 11.585 16.168 1.00 0.00 O ATOM 0 H SER A 88 -5.127 14.182 13.414 1.00 0.00 H new ATOM 0 HA SER A 88 -4.165 11.661 14.154 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.152 13.444 15.651 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.740 13.053 15.019 1.00 0.00 H new ATOM 0 HG SER A 88 -6.277 11.924 16.991 1.00 0.00 H new ATOM 1480 N SER A 89 -6.917 11.615 12.394 1.00 0.00 N ATOM 1481 CA SER A 89 -7.850 10.744 11.684 1.00 0.00 C ATOM 1482 C SER A 89 -7.156 10.011 10.536 1.00 0.00 C ATOM 1483 O SER A 89 -7.652 8.992 10.055 1.00 0.00 O ATOM 1484 CB SER A 89 -9.027 11.556 11.146 1.00 0.00 C ATOM 1485 OG SER A 89 -9.731 12.193 12.198 1.00 0.00 O ATOM 0 H SER A 89 -7.013 12.606 12.173 1.00 0.00 H new ATOM 0 HA SER A 89 -8.219 10.001 12.391 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.665 12.305 10.441 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.703 10.901 10.596 1.00 0.00 H new ATOM 0 HG SER A 89 -10.478 12.707 11.827 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.011 10.540 10.101 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.244 9.944 9.006 1.00 0.00 C ATOM 1493 C ALA A 90 -5.236 8.419 9.080 1.00 0.00 C ATOM 1494 O ALA A 90 -4.759 7.836 10.051 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.820 10.477 9.018 1.00 0.00 C ATOM 0 H ALA A 90 -5.593 11.384 10.493 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.729 10.224 8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.257 10.028 8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.836 11.560 8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.345 10.225 9.966 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.771 7.782 8.042 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.828 6.327 7.985 1.00 0.00 C ATOM 1503 C LYS A 91 -4.550 5.757 7.377 1.00 0.00 C ATOM 1504 O LYS A 91 -3.624 6.497 7.048 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.040 5.876 7.168 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.358 6.444 7.669 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.643 6.015 9.100 1.00 0.00 C ATOM 1508 CE LYS A 91 -9.883 5.138 9.186 1.00 0.00 C ATOM 1509 NZ LYS A 91 -9.676 3.972 10.089 1.00 0.00 N ATOM 0 H LYS A 91 -6.171 8.252 7.230 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.924 5.951 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.898 6.173 6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.094 4.787 7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.331 7.532 7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.168 6.112 7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.785 5.472 9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.777 6.898 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.723 5.732 9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.147 4.783 8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.543 3.399 10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.891 3.391 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.449 4.310 11.046 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.507 4.438 7.234 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.342 3.767 6.668 1.00 0.00 C ATOM 1525 C ASN A 92 -3.748 2.798 5.563 1.00 0.00 C ATOM 1526 O ASN A 92 -4.915 2.423 5.450 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.569 3.020 7.759 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.473 2.460 8.844 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -3.293 2.749 10.026 1.00 0.00 O ATOM 1530 ND2 ASN A 92 -4.451 1.656 8.445 1.00 0.00 N ATOM 0 H ASN A 92 -5.266 3.811 7.502 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.696 4.531 6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.006 2.204 7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.843 3.696 8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.090 1.251 9.130 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.564 1.443 7.454 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.776 2.396 4.750 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.028 1.468 3.653 1.00 0.00 C ATOM 1539 C LEU A 93 -2.144 0.230 3.775 1.00 0.00 C ATOM 1540 O LEU A 93 -0.917 0.333 3.805 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.781 2.156 2.306 1.00 0.00 C ATOM 1542 CG LEU A 93 -3.949 2.093 1.320 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -3.900 3.268 0.356 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.930 0.777 0.557 1.00 0.00 C ATOM 0 H LEU A 93 -1.805 2.699 4.830 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.071 1.155 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.537 3.202 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.907 1.702 1.839 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.879 2.152 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.739 3.205 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.961 4.201 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.965 3.241 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.767 0.748 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.995 0.690 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.014 -0.052 1.260 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.774 -0.937 3.844 1.00 0.00 N ATOM 1557 CA LEU A 94 -2.041 -2.192 3.961 1.00 0.00 C ATOM 1558 C LEU A 94 -1.858 -2.835 2.592 1.00 0.00 C ATOM 1559 O LEU A 94 -2.830 -3.101 1.885 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.780 -3.152 4.896 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.667 -2.825 6.387 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.290 -3.200 6.912 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.950 -1.349 6.632 1.00 0.00 C ATOM 0 H LEU A 94 -3.788 -1.040 3.821 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.057 -1.978 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.835 -3.161 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.399 -4.160 4.731 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.411 -3.411 6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.228 -2.961 7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.125 -4.268 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.529 -2.640 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.865 -1.134 7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.230 -0.744 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.958 -1.111 6.293 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.607 -3.074 2.217 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.302 -3.675 0.928 1.00 0.00 C ATOM 1577 C LEU A 95 0.624 -4.874 1.079 1.00 0.00 C ATOM 1578 O LEU A 95 1.766 -4.743 1.523 1.00 0.00 O ATOM 1579 CB LEU A 95 0.332 -2.631 0.011 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.507 -1.370 -0.200 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.232 -0.384 -1.086 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.861 -1.718 -0.801 1.00 0.00 C ATOM 0 H LEU A 95 0.211 -2.860 2.788 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.234 -4.029 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.298 -2.343 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.525 -3.089 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.675 -0.904 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.379 0.508 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.175 -0.107 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.431 -0.843 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.441 -0.806 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.717 -2.209 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.396 -2.388 -0.128 1.00 0.00 H new ATOM 1594 N LEU A 96 0.125 -6.046 0.699 1.00 0.00 N ATOM 1595 CA LEU A 96 0.900 -7.276 0.782 1.00 0.00 C ATOM 1596 C LEU A 96 1.669 -7.509 -0.516 1.00 0.00 C ATOM 1597 O LEU A 96 1.075 -7.643 -1.586 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.027 -8.463 1.076 1.00 0.00 C ATOM 1599 CG LEU A 96 0.558 -9.852 0.794 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.409 -10.323 1.962 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.557 -10.848 0.511 1.00 0.00 C ATOM 0 H LEU A 96 -0.818 -6.168 0.329 1.00 0.00 H new ATOM 0 HA LEU A 96 1.619 -7.183 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.321 -8.419 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.935 -8.345 0.485 1.00 0.00 H new ATOM 0 HG LEU A 96 1.196 -9.785 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.815 -11.310 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.228 -9.622 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.795 -10.375 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.126 -11.830 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.218 -10.910 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.127 -10.519 -0.358 1.00 0.00 H new ATOM 1613 N ALA A 97 2.993 -7.557 -0.413 1.00 0.00 N ATOM 1614 CA ALA A 97 3.839 -7.775 -1.579 1.00 0.00 C ATOM 1615 C ALA A 97 4.108 -9.261 -1.790 1.00 0.00 C ATOM 1616 O ALA A 97 4.405 -9.989 -0.844 1.00 0.00 O ATOM 1617 CB ALA A 97 5.148 -7.013 -1.429 1.00 0.00 C ATOM 0 H ALA A 97 3.502 -7.448 0.464 1.00 0.00 H new ATOM 0 HA ALA A 97 3.313 -7.401 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.771 -7.184 -2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.940 -5.947 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.672 -7.361 -0.539 1.00 0.00 H new ATOM 1623 N ASN A 98 4.003 -9.705 -3.040 1.00 0.00 N ATOM 1624 CA ASN A 98 4.237 -11.106 -3.378 1.00 0.00 C ATOM 1625 C ASN A 98 5.597 -11.569 -2.866 1.00 0.00 C ATOM 1626 O ASN A 98 5.782 -12.741 -2.537 1.00 0.00 O ATOM 1627 CB ASN A 98 4.154 -11.311 -4.893 1.00 0.00 C ATOM 1628 CG ASN A 98 2.952 -10.619 -5.508 1.00 0.00 C ATOM 1629 OD1 ASN A 98 1.855 -11.176 -5.552 1.00 0.00 O ATOM 1630 ND2 ASN A 98 3.156 -9.397 -5.988 1.00 0.00 N ATOM 0 H ASN A 98 3.758 -9.115 -3.835 1.00 0.00 H new ATOM 0 HA ASN A 98 3.463 -11.703 -2.895 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.064 -10.933 -5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.105 -12.378 -5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.386 -8.882 -6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.083 -8.974 -5.930 1.00 0.00 H new ATOM 1637 N SER A 99 6.546 -10.641 -2.800 1.00 0.00 N ATOM 1638 CA SER A 99 7.890 -10.951 -2.329 1.00 0.00 C ATOM 1639 C SER A 99 8.382 -9.885 -1.356 1.00 0.00 C ATOM 1640 O SER A 99 8.011 -8.714 -1.461 1.00 0.00 O ATOM 1641 CB SER A 99 8.855 -11.068 -3.509 1.00 0.00 C ATOM 1642 OG SER A 99 8.653 -12.281 -4.215 1.00 0.00 O ATOM 0 H SER A 99 6.408 -9.666 -3.067 1.00 0.00 H new ATOM 0 HA SER A 99 7.854 -11.907 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.714 -10.223 -4.183 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.883 -11.020 -3.149 1.00 0.00 H new ATOM 0 HG SER A 99 9.281 -12.331 -4.966 1.00 0.00 H new ATOM 1648 N THR A 100 9.217 -10.295 -0.407 1.00 0.00 N ATOM 1649 CA THR A 100 9.760 -9.375 0.587 1.00 0.00 C ATOM 1650 C THR A 100 10.476 -8.205 -0.080 1.00 0.00 C ATOM 1651 O THR A 100 10.280 -7.048 0.294 1.00 0.00 O ATOM 1652 CB THR A 100 10.723 -10.111 1.519 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.351 -11.471 1.652 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.785 -9.516 2.909 1.00 0.00 C ATOM 0 H THR A 100 9.533 -11.259 -0.305 1.00 0.00 H new ATOM 0 HA THR A 100 8.928 -8.980 1.170 1.00 0.00 H new ATOM 0 HB THR A 100 11.704 -10.012 1.055 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.834 -12.008 0.990 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.487 -10.086 3.518 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.117 -8.480 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.796 -9.553 3.365 1.00 0.00 H new ATOM 1662 N GLU A 101 11.307 -8.514 -1.071 1.00 0.00 N ATOM 1663 CA GLU A 101 12.055 -7.488 -1.792 1.00 0.00 C ATOM 1664 C GLU A 101 11.122 -6.416 -2.351 1.00 0.00 C ATOM 1665 O GLU A 101 11.467 -5.236 -2.386 1.00 0.00 O ATOM 1666 CB GLU A 101 12.863 -8.121 -2.927 1.00 0.00 C ATOM 1667 CG GLU A 101 13.702 -9.309 -2.486 1.00 0.00 C ATOM 1668 CD GLU A 101 14.878 -9.566 -3.408 1.00 0.00 C ATOM 1669 OE1 GLU A 101 15.757 -8.684 -3.509 1.00 0.00 O ATOM 1670 OE2 GLU A 101 14.921 -10.647 -4.029 1.00 0.00 O ATOM 0 H GLU A 101 11.480 -9.466 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 101 12.738 -7.013 -1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.180 -8.441 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.518 -7.365 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.069 -9.134 -1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.074 -10.199 -2.448 1.00 0.00 H new ATOM 1677 N GLU A 102 9.937 -6.836 -2.784 1.00 0.00 N ATOM 1678 CA GLU A 102 8.953 -5.912 -3.337 1.00 0.00 C ATOM 1679 C GLU A 102 8.519 -4.890 -2.293 1.00 0.00 C ATOM 1680 O GLU A 102 8.331 -3.713 -2.600 1.00 0.00 O ATOM 1681 CB GLU A 102 7.735 -6.682 -3.853 1.00 0.00 C ATOM 1682 CG GLU A 102 6.964 -5.946 -4.936 1.00 0.00 C ATOM 1683 CD GLU A 102 7.125 -6.582 -6.303 1.00 0.00 C ATOM 1684 OE1 GLU A 102 7.332 -7.812 -6.364 1.00 0.00 O ATOM 1685 OE2 GLU A 102 7.047 -5.851 -7.312 1.00 0.00 O ATOM 0 H GLU A 102 9.635 -7.810 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 102 9.417 -5.380 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.063 -7.645 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.065 -6.888 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.907 -5.924 -4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.304 -4.911 -4.979 1.00 0.00 H new ATOM 1692 N GLN A 103 8.361 -5.349 -1.055 1.00 0.00 N ATOM 1693 CA GLN A 103 7.947 -4.476 0.038 1.00 0.00 C ATOM 1694 C GLN A 103 9.035 -3.453 0.359 1.00 0.00 C ATOM 1695 O GLN A 103 8.739 -2.313 0.718 1.00 0.00 O ATOM 1696 CB GLN A 103 7.621 -5.309 1.283 1.00 0.00 C ATOM 1697 CG GLN A 103 7.416 -4.481 2.542 1.00 0.00 C ATOM 1698 CD GLN A 103 8.596 -4.566 3.492 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.195 -5.628 3.661 1.00 0.00 O ATOM 1700 NE2 GLN A 103 8.933 -3.446 4.120 1.00 0.00 N ATOM 0 H GLN A 103 8.513 -6.320 -0.784 1.00 0.00 H new ATOM 0 HA GLN A 103 7.052 -3.937 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.720 -5.892 1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.430 -6.019 1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.251 -3.440 2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.516 -4.821 3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.408 -2.588 3.950 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.717 -3.443 4.773 1.00 0.00 H new ATOM 1709 N GLN A 104 10.291 -3.865 0.228 1.00 0.00 N ATOM 1710 CA GLN A 104 11.416 -2.976 0.506 1.00 0.00 C ATOM 1711 C GLN A 104 11.507 -1.878 -0.546 1.00 0.00 C ATOM 1712 O GLN A 104 11.837 -0.732 -0.237 1.00 0.00 O ATOM 1713 CB GLN A 104 12.738 -3.755 0.550 1.00 0.00 C ATOM 1714 CG GLN A 104 12.600 -5.198 1.016 1.00 0.00 C ATOM 1715 CD GLN A 104 11.774 -5.335 2.280 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.503 -4.351 2.968 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.371 -6.562 2.590 1.00 0.00 N ATOM 0 H GLN A 104 10.557 -4.804 -0.068 1.00 0.00 H new ATOM 0 HA GLN A 104 11.243 -2.523 1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.184 -3.748 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.430 -3.236 1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.141 -5.788 0.223 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.592 -5.615 1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.620 -7.348 1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.812 -6.719 3.429 1.00 0.00 H new ATOM 1726 N LYS A 105 11.215 -2.236 -1.792 1.00 0.00 N ATOM 1727 CA LYS A 105 11.264 -1.283 -2.893 1.00 0.00 C ATOM 1728 C LYS A 105 10.063 -0.342 -2.860 1.00 0.00 C ATOM 1729 O LYS A 105 10.216 0.876 -2.962 1.00 0.00 O ATOM 1730 CB LYS A 105 11.312 -2.019 -4.234 1.00 0.00 C ATOM 1731 CG LYS A 105 11.258 -1.094 -5.440 1.00 0.00 C ATOM 1732 CD LYS A 105 11.356 -1.870 -6.744 1.00 0.00 C ATOM 1733 CE LYS A 105 9.982 -2.168 -7.320 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.066 -2.970 -8.571 1.00 0.00 N ATOM 0 H LYS A 105 10.942 -3.180 -2.064 1.00 0.00 H new ATOM 0 HA LYS A 105 12.170 -0.688 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.226 -2.611 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.477 -2.718 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.328 -0.526 -5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.073 -0.372 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.938 -1.298 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.890 -2.805 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.388 -2.708 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.463 -1.231 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.108 -3.152 -8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.611 -2.445 -9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.538 -3.875 -8.372 1.00 0.00 H new ATOM 1748 N TRP A 106 8.870 -0.913 -2.729 1.00 0.00 N ATOM 1749 CA TRP A 106 7.650 -0.116 -2.695 1.00 0.00 C ATOM 1750 C TRP A 106 7.705 0.936 -1.592 1.00 0.00 C ATOM 1751 O TRP A 106 7.453 2.117 -1.830 1.00 0.00 O ATOM 1752 CB TRP A 106 6.431 -1.009 -2.489 1.00 0.00 C ATOM 1753 CG TRP A 106 5.729 -1.324 -3.768 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.002 -2.358 -4.603 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.655 -0.590 -4.368 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.146 -2.336 -5.679 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.316 -1.257 -5.561 1.00 0.00 C ATOM 1758 CE3 TRP A 106 3.943 0.557 -4.013 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.298 -0.815 -6.398 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 2.933 0.996 -4.850 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.619 0.312 -6.027 1.00 0.00 C ATOM 0 H TRP A 106 8.723 -1.919 -2.645 1.00 0.00 H new ATOM 0 HA TRP A 106 7.565 0.393 -3.655 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.742 -1.938 -2.011 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.736 -0.518 -1.808 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.779 -3.092 -4.445 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.133 -3.014 -6.441 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.176 1.091 -3.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.053 -1.343 -7.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.377 1.884 -4.589 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.823 0.681 -6.657 1.00 0.00 H new ATOM 1772 N VAL A 107 8.030 0.489 -0.384 1.00 0.00 N ATOM 1773 CA VAL A 107 8.114 1.376 0.771 1.00 0.00 C ATOM 1774 C VAL A 107 9.264 2.369 0.631 1.00 0.00 C ATOM 1775 O VAL A 107 9.092 3.566 0.856 1.00 0.00 O ATOM 1776 CB VAL A 107 8.297 0.574 2.073 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.236 1.492 3.285 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.250 -0.528 2.173 1.00 0.00 C ATOM 0 H VAL A 107 8.241 -0.488 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 107 7.175 1.927 0.815 1.00 0.00 H new ATOM 0 HB VAL A 107 9.282 0.108 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.368 0.904 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.028 2.237 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.268 1.993 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.395 -1.084 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.254 -0.085 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.351 -1.204 1.324 1.00 0.00 H new ATOM 1788 N SER A 108 10.438 1.861 0.269 1.00 0.00 N ATOM 1789 CA SER A 108 11.620 2.700 0.112 1.00 0.00 C ATOM 1790 C SER A 108 11.423 3.749 -0.981 1.00 0.00 C ATOM 1791 O SER A 108 11.893 4.879 -0.858 1.00 0.00 O ATOM 1792 CB SER A 108 12.840 1.836 -0.214 1.00 0.00 C ATOM 1793 OG SER A 108 13.195 1.018 0.887 1.00 0.00 O ATOM 0 H SER A 108 10.596 0.871 0.079 1.00 0.00 H new ATOM 0 HA SER A 108 11.784 3.221 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.626 1.211 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.681 2.475 -0.482 1.00 0.00 H new ATOM 0 HG SER A 108 12.775 0.138 0.790 1.00 0.00 H new ATOM 1799 N ARG A 109 10.736 3.367 -2.051 1.00 0.00 N ATOM 1800 CA ARG A 109 10.492 4.281 -3.161 1.00 0.00 C ATOM 1801 C ARG A 109 9.414 5.306 -2.814 1.00 0.00 C ATOM 1802 O ARG A 109 9.628 6.513 -2.937 1.00 0.00 O ATOM 1803 CB ARG A 109 10.089 3.500 -4.412 1.00 0.00 C ATOM 1804 CG ARG A 109 11.273 2.989 -5.218 1.00 0.00 C ATOM 1805 CD ARG A 109 11.924 4.104 -6.023 1.00 0.00 C ATOM 1806 NE ARG A 109 13.355 3.884 -6.206 1.00 0.00 N ATOM 1807 CZ ARG A 109 14.191 4.805 -6.682 1.00 0.00 C ATOM 1808 NH1 ARG A 109 13.742 6.006 -7.022 1.00 0.00 N ATOM 1809 NH2 ARG A 109 15.480 4.522 -6.817 1.00 0.00 N ATOM 0 H ARG A 109 10.340 2.435 -2.174 1.00 0.00 H new ATOM 0 HA ARG A 109 11.419 4.820 -3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.468 2.654 -4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.476 4.139 -5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.009 2.547 -4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.942 2.199 -5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.441 4.177 -6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 109 11.766 5.056 -5.517 1.00 0.00 H new ATOM 0 HE ARG A 109 13.737 2.972 -5.955 1.00 0.00 H new ATOM 0 HH11 ARG A 109 12.752 6.228 -6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 109 14.387 6.707 -7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 109 15.830 3.600 -6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 109 16.121 5.226 -7.181 1.00 0.00 H new ATOM 1823 N LEU A 110 8.253 4.817 -2.387 1.00 0.00 N ATOM 1824 CA LEU A 110 7.142 5.691 -2.034 1.00 0.00 C ATOM 1825 C LEU A 110 7.511 6.620 -0.880 1.00 0.00 C ATOM 1826 O LEU A 110 7.098 7.779 -0.852 1.00 0.00 O ATOM 1827 CB LEU A 110 5.903 4.863 -1.680 1.00 0.00 C ATOM 1828 CG LEU A 110 5.921 4.216 -0.294 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.418 5.195 0.758 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.082 2.946 -0.290 1.00 0.00 C ATOM 0 H LEU A 110 8.059 3.822 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 110 6.915 6.311 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.025 5.505 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.785 4.078 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 110 6.949 3.949 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.438 4.718 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.059 6.077 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.397 5.492 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.105 2.498 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.053 3.189 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.486 2.241 -1.016 1.00 0.00 H new ATOM 1842 N VAL A 111 8.291 6.110 0.068 1.00 0.00 N ATOM 1843 CA VAL A 111 8.709 6.907 1.214 1.00 0.00 C ATOM 1844 C VAL A 111 9.724 7.965 0.797 1.00 0.00 C ATOM 1845 O VAL A 111 9.650 9.116 1.229 1.00 0.00 O ATOM 1846 CB VAL A 111 9.311 6.027 2.331 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.686 5.507 1.937 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.382 6.802 3.639 1.00 0.00 C ATOM 0 H VAL A 111 8.644 5.153 0.065 1.00 0.00 H new ATOM 0 HA VAL A 111 7.817 7.397 1.604 1.00 0.00 H new ATOM 0 HB VAL A 111 8.657 5.167 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.086 4.890 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.603 4.909 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.355 6.348 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.809 6.167 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.009 7.684 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.379 7.111 3.934 1.00 0.00 H new ATOM 1858 N LYS A 112 10.668 7.569 -0.051 1.00 0.00 N ATOM 1859 CA LYS A 112 11.691 8.485 -0.533 1.00 0.00 C ATOM 1860 C LYS A 112 11.053 9.641 -1.296 1.00 0.00 C ATOM 1861 O LYS A 112 11.581 10.754 -1.315 1.00 0.00 O ATOM 1862 CB LYS A 112 12.684 7.748 -1.435 1.00 0.00 C ATOM 1863 CG LYS A 112 13.898 7.212 -0.692 1.00 0.00 C ATOM 1864 CD LYS A 112 15.100 7.078 -1.613 1.00 0.00 C ATOM 1865 CE LYS A 112 15.885 8.376 -1.699 1.00 0.00 C ATOM 1866 NZ LYS A 112 17.098 8.354 -0.834 1.00 0.00 N ATOM 0 H LYS A 112 10.744 6.620 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 112 12.227 8.885 0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.172 6.919 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.019 8.424 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.144 7.879 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.661 6.241 -0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.750 6.282 -1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.766 6.787 -2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.181 8.553 -2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.244 9.207 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.604 9.258 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.815 8.211 0.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.722 7.577 -1.131 1.00 0.00 H new ATOM 1880 N LYS A 113 9.912 9.368 -1.922 1.00 0.00 N ATOM 1881 CA LYS A 113 9.196 10.383 -2.685 1.00 0.00 C ATOM 1882 C LYS A 113 8.519 11.392 -1.758 1.00 0.00 C ATOM 1883 O LYS A 113 8.237 12.521 -2.158 1.00 0.00 O ATOM 1884 CB LYS A 113 8.153 9.727 -3.593 1.00 0.00 C ATOM 1885 CG LYS A 113 8.759 8.911 -4.722 1.00 0.00 C ATOM 1886 CD LYS A 113 7.713 8.049 -5.409 1.00 0.00 C ATOM 1887 CE LYS A 113 7.204 8.699 -6.685 1.00 0.00 C ATOM 1888 NZ LYS A 113 8.249 8.731 -7.746 1.00 0.00 N ATOM 0 H LYS A 113 9.464 8.452 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 113 9.922 10.915 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.514 9.081 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.514 10.501 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.217 9.580 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.553 8.277 -4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.140 7.074 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.878 7.877 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.334 8.153 -7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.875 9.715 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.795 8.822 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.880 9.542 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.802 7.851 -7.715 1.00 0.00 H new ATOM 1902 N ILE A 114 8.259 10.976 -0.521 1.00 0.00 N ATOM 1903 CA ILE A 114 7.613 11.846 0.456 1.00 0.00 C ATOM 1904 C ILE A 114 8.435 13.115 0.690 1.00 0.00 C ATOM 1905 O ILE A 114 9.649 13.048 0.880 1.00 0.00 O ATOM 1906 CB ILE A 114 7.408 11.125 1.804 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.654 9.810 1.597 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.658 12.020 2.780 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.433 9.032 2.877 1.00 0.00 C ATOM 0 H ILE A 114 8.485 10.044 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 114 6.640 12.115 0.046 1.00 0.00 H new ATOM 0 HB ILE A 114 8.387 10.900 2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.688 10.023 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.210 9.188 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.523 11.494 3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.230 12.932 2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.683 12.275 2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.893 8.112 2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.396 8.788 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.851 9.635 3.574 1.00 0.00 H new ATOM 1921 N PRO A 115 7.782 14.292 0.677 1.00 0.00 N ATOM 1922 CA PRO A 115 8.463 15.570 0.888 1.00 0.00 C ATOM 1923 C PRO A 115 8.740 15.844 2.363 1.00 0.00 C ATOM 1924 O PRO A 115 9.822 16.304 2.727 1.00 0.00 O ATOM 1925 CB PRO A 115 7.464 16.583 0.335 1.00 0.00 C ATOM 1926 CG PRO A 115 6.132 15.959 0.573 1.00 0.00 C ATOM 1927 CD PRO A 115 6.332 14.470 0.454 1.00 0.00 C ATOM 0 HA PRO A 115 9.441 15.601 0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.549 17.543 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.632 16.768 -0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.751 16.222 1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.402 16.312 -0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.744 13.927 1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.030 14.103 -0.527 1.00 0.00 H new