USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 794 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: B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= -0.064 (180deg=-0.345) USER MOD Single : A 16 GLN : amide:sc= -0.0436 X(o=-0.044,f=-0.044) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0153 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -86:sc= 0.0534 USER MOD Single : A 25 HIS : no HD1:sc= 1.06 K(o=1.1,f=-3.4!) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.433 F(o=-1.9!,f=-0.43) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 1.11 (180deg=1.11) USER MOD Single : A 39 HIS : no HE2:sc= -0.352 K(o=-0.35,f=-2.7) USER MOD Single : A 45 THR OG1 : rot 74:sc= 0.174 USER MOD Single : B 1 ASP N :NH3+ -175:sc= -0.0105 (180deg=-0.0322) USER MOD Single : B 2 TYR OH : rot 150:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 TYR OH : rot -171:sc= 0.33 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -74:sc= 0.497 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : B 26 ASN : amide:sc= 1.04 K(o=1,f=-0.084) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 173:sc= 1.05 (180deg=1.03) USER MOD Single : B 39 HIS : no HE2:sc= -0.221 K(o=-0.22,f=-3.2) USER MOD Single : B 45 THR OG1 : rot 79:sc= 0.041 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 2 3.198 9.785 -10.182 1.00 0.00 N ATOM 20 CA TYR A 2 2.630 8.640 -9.454 1.00 0.00 C ATOM 21 C TYR A 2 1.947 7.629 -10.372 1.00 0.00 C ATOM 22 O TYR A 2 2.008 6.431 -10.129 1.00 0.00 O ATOM 23 CB TYR A 2 1.572 9.105 -8.441 1.00 0.00 C ATOM 24 CG TYR A 2 1.858 10.408 -7.726 1.00 0.00 C ATOM 25 CD1 TYR A 2 3.056 10.575 -7.009 1.00 0.00 C ATOM 26 CD2 TYR A 2 0.930 11.462 -7.811 1.00 0.00 C ATOM 27 CE1 TYR A 2 3.331 11.803 -6.382 1.00 0.00 C ATOM 28 CE2 TYR A 2 1.197 12.689 -7.180 1.00 0.00 C ATOM 29 CZ TYR A 2 2.401 12.867 -6.465 1.00 0.00 C ATOM 30 OH TYR A 2 2.664 14.061 -5.866 1.00 0.00 O ATOM 0 HA TYR A 2 3.478 8.166 -8.960 1.00 0.00 H new ATOM 0 HB2 TYR A 2 0.619 9.202 -8.961 1.00 0.00 H new ATOM 0 HB3 TYR A 2 1.448 8.323 -7.692 1.00 0.00 H new ATOM 0 HD1 TYR A 2 3.763 9.762 -6.940 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.011 11.328 -8.362 1.00 0.00 H new ATOM 0 HE1 TYR A 2 4.253 11.935 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 2 0.481 13.495 -7.242 1.00 0.00 H new ATOM 0 HH TYR A 2 1.919 14.678 -6.025 1.00 0.00 H new ATOM 40 N LEU A 3 1.281 8.115 -11.419 1.00 0.00 N ATOM 41 CA LEU A 3 0.457 7.309 -12.321 1.00 0.00 C ATOM 42 C LEU A 3 1.308 6.310 -13.112 1.00 0.00 C ATOM 43 O LEU A 3 0.942 5.138 -13.209 1.00 0.00 O ATOM 44 CB LEU A 3 -0.346 8.232 -13.253 1.00 0.00 C ATOM 45 CG LEU A 3 -1.248 9.218 -12.489 1.00 0.00 C ATOM 46 CD1 LEU A 3 -1.935 10.160 -13.475 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.311 8.517 -11.636 1.00 0.00 C ATOM 0 H LEU A 3 1.300 9.103 -11.670 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.244 6.723 -11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.344 8.793 -13.883 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.961 7.624 -13.916 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.602 9.775 -11.811 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.572 10.856 -12.930 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.181 10.718 -14.031 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.543 9.580 -14.169 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.916 9.264 -11.122 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.951 7.911 -12.278 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.823 7.876 -10.901 1.00 0.00 H new ATOM 59 N ARG A 4 2.486 6.735 -13.596 1.00 0.00 N ATOM 60 CA ARG A 4 3.498 5.820 -14.148 1.00 0.00 C ATOM 61 C ARG A 4 3.976 4.840 -13.081 1.00 0.00 C ATOM 62 O ARG A 4 4.006 3.650 -13.348 1.00 0.00 O ATOM 63 CB ARG A 4 4.668 6.604 -14.773 1.00 0.00 C ATOM 64 CG ARG A 4 5.759 5.660 -15.320 1.00 0.00 C ATOM 65 CD ARG A 4 6.905 6.406 -16.013 1.00 0.00 C ATOM 66 NE ARG A 4 6.535 6.876 -17.364 1.00 0.00 N ATOM 67 CZ ARG A 4 7.342 7.454 -18.237 1.00 0.00 C ATOM 68 NH1 ARG A 4 8.584 7.730 -17.956 1.00 0.00 N ATOM 69 NH2 ARG A 4 6.912 7.766 -19.426 1.00 0.00 N ATOM 0 H ARG A 4 2.763 7.717 -13.616 1.00 0.00 H new ATOM 0 HA ARG A 4 3.038 5.237 -14.946 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.294 7.234 -15.580 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.102 7.268 -14.025 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.163 5.067 -14.500 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.308 4.963 -16.026 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.201 7.259 -15.403 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.772 5.749 -16.084 1.00 0.00 H new ATOM 0 HE ARG A 4 5.565 6.742 -17.650 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.962 7.499 -17.037 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.178 8.177 -18.655 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.947 7.565 -19.689 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.540 8.212 -20.095 1.00 0.00 H new ATOM 83 N GLU A 5 4.305 5.302 -11.876 1.00 0.00 N ATOM 84 CA GLU A 5 4.764 4.420 -10.786 1.00 0.00 C ATOM 85 C GLU A 5 3.714 3.357 -10.378 1.00 0.00 C ATOM 86 O GLU A 5 4.068 2.232 -10.016 1.00 0.00 O ATOM 87 CB GLU A 5 5.216 5.296 -9.608 1.00 0.00 C ATOM 88 CG GLU A 5 5.852 4.503 -8.459 1.00 0.00 C ATOM 89 CD GLU A 5 6.597 5.424 -7.470 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.042 6.471 -7.056 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.749 5.098 -7.091 1.00 0.00 O ATOM 0 H GLU A 5 4.264 6.289 -11.621 1.00 0.00 H new ATOM 0 HA GLU A 5 5.611 3.833 -11.141 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.933 6.034 -9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.357 5.847 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.078 3.949 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.547 3.768 -8.866 1.00 0.00 H new ATOM 98 N LEU A 6 2.425 3.691 -10.496 1.00 0.00 N ATOM 99 CA LEU A 6 1.266 2.824 -10.271 1.00 0.00 C ATOM 100 C LEU A 6 1.073 1.797 -11.402 1.00 0.00 C ATOM 101 O LEU A 6 1.167 0.588 -11.171 1.00 0.00 O ATOM 102 CB LEU A 6 0.024 3.736 -10.090 1.00 0.00 C ATOM 103 CG LEU A 6 -0.430 3.827 -8.625 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.628 4.404 -7.675 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.674 4.709 -8.499 1.00 0.00 C ATOM 0 H LEU A 6 2.147 4.634 -10.768 1.00 0.00 H new ATOM 0 HA LEU A 6 1.423 2.227 -9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.254 4.736 -10.458 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.796 3.353 -10.698 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.629 2.796 -8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.229 4.434 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.518 3.775 -7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.890 5.413 -7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.979 4.760 -7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.447 5.712 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.483 4.284 -9.093 1.00 0.00 H new ATOM 117 N LEU A 7 0.814 2.266 -12.627 1.00 0.00 N ATOM 118 CA LEU A 7 0.591 1.404 -13.794 1.00 0.00 C ATOM 119 C LEU A 7 1.828 0.587 -14.200 1.00 0.00 C ATOM 120 O LEU A 7 1.682 -0.603 -14.491 1.00 0.00 O ATOM 121 CB LEU A 7 0.069 2.193 -15.009 1.00 0.00 C ATOM 122 CG LEU A 7 -1.442 2.504 -14.950 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.718 3.908 -14.420 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.068 2.391 -16.341 1.00 0.00 C ATOM 0 H LEU A 7 0.753 3.262 -12.839 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.176 0.699 -13.474 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.620 3.130 -15.085 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.278 1.625 -15.916 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.882 1.774 -14.270 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.794 4.083 -14.396 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.312 4.003 -13.413 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.246 4.643 -15.072 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.133 2.614 -16.280 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.587 3.100 -17.015 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.930 1.379 -16.721 1.00 0.00 H new ATOM 136 N LYS A 8 3.040 1.169 -14.179 1.00 0.00 N ATOM 137 CA LYS A 8 4.317 0.468 -14.429 1.00 0.00 C ATOM 138 C LYS A 8 4.756 -0.417 -13.245 1.00 0.00 C ATOM 139 O LYS A 8 5.892 -0.371 -12.768 1.00 0.00 O ATOM 140 CB LYS A 8 5.396 1.473 -14.864 1.00 0.00 C ATOM 141 CG LYS A 8 6.517 0.764 -15.628 1.00 0.00 C ATOM 142 CD LYS A 8 7.685 1.709 -15.913 1.00 0.00 C ATOM 143 CE LYS A 8 8.780 0.846 -16.531 1.00 0.00 C ATOM 144 NZ LYS A 8 10.000 1.627 -16.861 1.00 0.00 N ATOM 0 H LYS A 8 3.164 2.162 -13.984 1.00 0.00 H new ATOM 0 HA LYS A 8 4.163 -0.229 -15.252 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.950 2.243 -15.494 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.807 1.975 -13.988 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.871 -0.089 -15.049 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.127 0.372 -16.567 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.385 2.506 -16.593 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.034 2.186 -14.997 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.041 0.045 -15.839 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.399 0.374 -17.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.714 0.996 -17.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.759 2.375 -17.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.382 2.057 -15.994 1.00 0.00 H new ATOM 158 N GLY A 9 3.829 -1.242 -12.774 1.00 0.00 N ATOM 159 CA GLY A 9 4.123 -2.350 -11.877 1.00 0.00 C ATOM 160 C GLY A 9 3.006 -3.324 -11.553 1.00 0.00 C ATOM 161 O GLY A 9 3.277 -4.510 -11.370 1.00 0.00 O ATOM 0 H GLY A 9 2.840 -1.158 -13.008 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.946 -2.919 -12.309 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.483 -1.931 -10.937 1.00 0.00 H new ATOM 165 N GLU A 10 1.752 -2.886 -11.549 1.00 0.00 N ATOM 166 CA GLU A 10 0.626 -3.827 -11.368 1.00 0.00 C ATOM 167 C GLU A 10 0.571 -4.892 -12.481 1.00 0.00 C ATOM 168 O GLU A 10 0.246 -6.051 -12.214 1.00 0.00 O ATOM 169 CB GLU A 10 -0.702 -3.060 -11.311 1.00 0.00 C ATOM 170 CG GLU A 10 -0.948 -2.262 -10.021 1.00 0.00 C ATOM 171 CD GLU A 10 -1.763 -3.076 -9.018 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.404 -4.128 -8.457 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.961 -2.904 -8.713 1.00 0.00 O ATOM 0 H GLU A 10 1.481 -1.910 -11.665 1.00 0.00 H new ATOM 0 HA GLU A 10 0.789 -4.348 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.742 -2.373 -12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.518 -3.771 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.006 -1.981 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.474 -1.337 -10.257 1.00 0.00 H new ATOM 180 N LEU A 11 0.959 -4.542 -13.716 1.00 0.00 N ATOM 181 CA LEU A 11 0.983 -5.467 -14.855 1.00 0.00 C ATOM 182 C LEU A 11 2.008 -6.602 -14.659 1.00 0.00 C ATOM 183 O LEU A 11 1.774 -7.745 -15.056 1.00 0.00 O ATOM 184 CB LEU A 11 1.176 -4.580 -16.113 1.00 0.00 C ATOM 185 CG LEU A 11 2.115 -5.107 -17.203 1.00 0.00 C ATOM 186 CD1 LEU A 11 1.495 -6.233 -18.034 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.501 -3.980 -18.163 1.00 0.00 C ATOM 0 H LEU A 11 1.268 -3.599 -13.953 1.00 0.00 H new ATOM 0 HA LEU A 11 0.054 -6.027 -14.966 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.197 -4.413 -16.562 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.548 -3.608 -15.788 1.00 0.00 H new ATOM 0 HG LEU A 11 2.987 -5.500 -16.680 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.209 -6.563 -18.789 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.243 -7.069 -17.382 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.592 -5.869 -18.524 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.168 -4.370 -18.932 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.603 -3.578 -18.632 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.007 -3.189 -17.610 1.00 0.00 H new ATOM 199 N GLN A 12 3.106 -6.304 -13.964 1.00 0.00 N ATOM 200 CA GLN A 12 4.177 -7.238 -13.625 1.00 0.00 C ATOM 201 C GLN A 12 3.692 -8.368 -12.697 1.00 0.00 C ATOM 202 O GLN A 12 4.252 -9.464 -12.712 1.00 0.00 O ATOM 203 CB GLN A 12 5.344 -6.446 -13.006 1.00 0.00 C ATOM 204 CG GLN A 12 6.674 -7.205 -13.060 1.00 0.00 C ATOM 205 CD GLN A 12 7.823 -6.390 -12.467 1.00 0.00 C ATOM 206 OE1 GLN A 12 8.314 -5.434 -13.053 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.301 -6.732 -11.288 1.00 0.00 N ATOM 0 H GLN A 12 3.280 -5.364 -13.607 1.00 0.00 H new ATOM 0 HA GLN A 12 4.519 -7.733 -14.534 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.451 -5.497 -13.531 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.107 -6.211 -11.968 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.578 -8.145 -12.516 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.905 -7.458 -14.095 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.903 -7.526 -10.787 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.069 -6.203 -10.876 1.00 0.00 H new ATOM 216 N GLY A 13 2.617 -8.127 -11.934 1.00 0.00 N ATOM 217 CA GLY A 13 1.968 -9.143 -11.107 1.00 0.00 C ATOM 218 C GLY A 13 0.964 -9.971 -11.905 1.00 0.00 C ATOM 219 O GLY A 13 0.998 -11.201 -11.828 1.00 0.00 O ATOM 0 H GLY A 13 2.172 -7.211 -11.876 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.725 -9.802 -10.681 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.459 -8.661 -10.272 1.00 0.00 H new ATOM 223 N ILE A 14 0.124 -9.329 -12.734 1.00 0.00 N ATOM 224 CA ILE A 14 -0.947 -10.019 -13.491 1.00 0.00 C ATOM 225 C ILE A 14 -0.373 -11.167 -14.331 1.00 0.00 C ATOM 226 O ILE A 14 -0.876 -12.294 -14.292 1.00 0.00 O ATOM 227 CB ILE A 14 -1.730 -9.027 -14.384 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.462 -7.975 -13.526 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.757 -9.751 -15.280 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.004 -6.794 -14.337 1.00 0.00 C ATOM 0 H ILE A 14 0.163 -8.324 -12.901 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.644 -10.441 -12.767 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.998 -8.533 -15.022 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.289 -8.456 -13.003 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.778 -7.599 -12.765 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.286 -9.020 -15.891 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.240 -10.459 -15.927 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.472 -10.286 -14.655 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.506 -6.094 -13.669 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.179 -6.288 -14.839 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.713 -7.158 -15.081 1.00 0.00 H new ATOM 242 N LYS A 15 0.720 -10.893 -15.053 1.00 0.00 N ATOM 243 CA LYS A 15 1.342 -11.857 -15.966 1.00 0.00 C ATOM 244 C LYS A 15 2.113 -12.995 -15.287 1.00 0.00 C ATOM 245 O LYS A 15 2.358 -14.023 -15.916 1.00 0.00 O ATOM 246 CB LYS A 15 2.186 -11.115 -17.015 1.00 0.00 C ATOM 247 CG LYS A 15 3.438 -10.399 -16.469 1.00 0.00 C ATOM 248 CD LYS A 15 4.775 -11.011 -16.924 1.00 0.00 C ATOM 249 CE LYS A 15 5.208 -10.619 -18.351 1.00 0.00 C ATOM 250 NZ LYS A 15 4.515 -11.386 -19.423 1.00 0.00 N ATOM 0 H LYS A 15 1.199 -9.993 -15.020 1.00 0.00 H new ATOM 0 HA LYS A 15 0.524 -12.376 -16.466 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.500 -11.829 -17.776 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.554 -10.378 -17.511 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.407 -9.354 -16.779 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.401 -10.410 -15.380 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.555 -10.707 -16.226 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.701 -12.097 -16.866 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.019 -9.556 -18.498 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.283 -10.768 -18.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.013 -11.248 -20.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.513 -12.397 -19.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.535 -11.049 -19.513 1.00 0.00 H new ATOM 264 N GLN A 16 2.466 -12.840 -14.010 1.00 0.00 N ATOM 265 CA GLN A 16 3.111 -13.868 -13.199 1.00 0.00 C ATOM 266 C GLN A 16 2.091 -14.766 -12.494 1.00 0.00 C ATOM 267 O GLN A 16 2.287 -15.977 -12.418 1.00 0.00 O ATOM 268 CB GLN A 16 4.023 -13.174 -12.180 1.00 0.00 C ATOM 269 CG GLN A 16 5.405 -12.810 -12.749 1.00 0.00 C ATOM 270 CD GLN A 16 6.286 -14.043 -12.970 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.520 -14.847 -12.077 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.809 -14.251 -14.160 1.00 0.00 N ATOM 0 H GLN A 16 2.306 -11.972 -13.500 1.00 0.00 H new ATOM 0 HA GLN A 16 3.697 -14.519 -13.848 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.534 -12.267 -11.824 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.154 -13.826 -11.316 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.279 -12.282 -13.694 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.908 -12.125 -12.066 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.627 -13.594 -14.919 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.396 -15.069 -14.323 1.00 0.00 H new ATOM 281 N TYR A 17 0.963 -14.210 -12.050 1.00 0.00 N ATOM 282 CA TYR A 17 -0.118 -14.978 -11.438 1.00 0.00 C ATOM 283 C TYR A 17 -0.708 -16.041 -12.371 1.00 0.00 C ATOM 284 O TYR A 17 -0.984 -17.159 -11.928 1.00 0.00 O ATOM 285 CB TYR A 17 -1.234 -14.036 -10.987 1.00 0.00 C ATOM 286 CG TYR A 17 -0.986 -13.306 -9.679 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.719 -14.036 -8.503 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.064 -11.901 -9.623 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.505 -13.364 -7.286 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.841 -11.224 -8.409 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.557 -11.956 -7.236 1.00 0.00 C ATOM 292 OH TYR A 17 -0.423 -11.316 -6.044 1.00 0.00 O ATOM 0 H TYR A 17 0.774 -13.209 -12.106 1.00 0.00 H new ATOM 0 HA TYR A 17 0.318 -15.500 -10.586 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.399 -13.296 -11.770 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.155 -14.611 -10.893 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.679 -15.115 -8.537 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.296 -11.340 -10.516 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.300 -13.928 -6.388 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.887 -10.146 -8.375 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.481 -10.348 -6.184 1.00 0.00 H new ATOM 302 N ARG A 18 -0.872 -15.725 -13.665 1.00 0.00 N ATOM 303 CA ARG A 18 -1.390 -16.696 -14.646 1.00 0.00 C ATOM 304 C ARG A 18 -0.475 -17.920 -14.809 1.00 0.00 C ATOM 305 O ARG A 18 -0.951 -19.030 -15.034 1.00 0.00 O ATOM 306 CB ARG A 18 -1.662 -16.012 -15.999 1.00 0.00 C ATOM 307 CG ARG A 18 -3.143 -16.114 -16.392 1.00 0.00 C ATOM 308 CD ARG A 18 -3.376 -15.570 -17.807 1.00 0.00 C ATOM 309 NE ARG A 18 -4.806 -15.625 -18.174 1.00 0.00 N ATOM 310 CZ ARG A 18 -5.318 -15.553 -19.391 1.00 0.00 C ATOM 311 NH1 ARG A 18 -4.574 -15.430 -20.454 1.00 0.00 N ATOM 312 NH2 ARG A 18 -6.607 -15.606 -19.567 1.00 0.00 N ATOM 0 H ARG A 18 -0.655 -14.809 -14.057 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.335 -17.072 -14.254 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.370 -14.963 -15.943 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.047 -16.473 -16.772 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.465 -17.154 -16.341 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.751 -15.556 -15.680 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.022 -14.541 -17.866 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.792 -16.149 -18.522 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.469 -15.730 -17.406 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.559 -15.386 -20.364 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.007 -15.378 -21.376 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.228 -15.704 -18.764 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.996 -15.550 -20.508 1.00 0.00 H new ATOM 326 N GLU A 19 0.834 -17.716 -14.659 1.00 0.00 N ATOM 327 CA GLU A 19 1.869 -18.759 -14.682 1.00 0.00 C ATOM 328 C GLU A 19 1.962 -19.536 -13.355 1.00 0.00 C ATOM 329 O GLU A 19 2.246 -20.732 -13.344 1.00 0.00 O ATOM 330 CB GLU A 19 3.213 -18.071 -14.967 1.00 0.00 C ATOM 331 CG GLU A 19 4.277 -19.032 -15.512 1.00 0.00 C ATOM 332 CD GLU A 19 5.527 -18.262 -15.983 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.408 -17.947 -15.145 1.00 0.00 O ATOM 334 OE2 GLU A 19 5.644 -17.973 -17.199 1.00 0.00 O ATOM 0 H GLU A 19 1.221 -16.784 -14.512 1.00 0.00 H new ATOM 0 HA GLU A 19 1.612 -19.486 -15.452 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.057 -17.266 -15.685 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.582 -17.613 -14.049 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.556 -19.748 -14.739 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.864 -19.605 -16.342 1.00 0.00 H new ATOM 341 N ALA A 20 1.706 -18.867 -12.231 1.00 0.00 N ATOM 342 CA ALA A 20 1.798 -19.425 -10.883 1.00 0.00 C ATOM 343 C ALA A 20 0.728 -20.484 -10.592 1.00 0.00 C ATOM 344 O ALA A 20 1.039 -21.487 -9.948 1.00 0.00 O ATOM 345 CB ALA A 20 1.708 -18.268 -9.881 1.00 0.00 C ATOM 0 H ALA A 20 1.419 -17.888 -12.235 1.00 0.00 H new ATOM 0 HA ALA A 20 2.752 -19.944 -10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.774 -18.660 -8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.528 -17.571 -10.055 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.758 -17.749 -10.008 1.00 0.00 H new ATOM 351 N LEU A 21 -0.499 -20.316 -11.109 1.00 0.00 N ATOM 352 CA LEU A 21 -1.570 -21.314 -10.965 1.00 0.00 C ATOM 353 C LEU A 21 -1.136 -22.691 -11.477 1.00 0.00 C ATOM 354 O LEU A 21 -1.545 -23.702 -10.918 1.00 0.00 O ATOM 355 CB LEU A 21 -2.860 -20.803 -11.629 1.00 0.00 C ATOM 356 CG LEU A 21 -4.121 -21.663 -11.390 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.372 -20.782 -11.440 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.329 -22.750 -12.450 1.00 0.00 C ATOM 0 H LEU A 21 -0.776 -19.488 -11.637 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.782 -21.451 -9.905 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.057 -19.793 -11.269 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.690 -20.730 -12.703 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.970 -22.131 -10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.256 -21.396 -11.271 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.309 -20.016 -10.667 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.443 -20.306 -12.418 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.232 -23.315 -12.219 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.431 -22.287 -13.431 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.471 -23.423 -12.454 1.00 0.00 H new ATOM 370 N GLU A 22 -0.243 -22.761 -12.466 1.00 0.00 N ATOM 371 CA GLU A 22 0.255 -24.054 -12.965 1.00 0.00 C ATOM 372 C GLU A 22 1.068 -24.869 -11.943 1.00 0.00 C ATOM 373 O GLU A 22 1.180 -26.090 -12.068 1.00 0.00 O ATOM 374 CB GLU A 22 1.113 -23.845 -14.215 1.00 0.00 C ATOM 375 CG GLU A 22 0.429 -24.346 -15.495 1.00 0.00 C ATOM 376 CD GLU A 22 0.294 -25.882 -15.531 1.00 0.00 C ATOM 377 OE1 GLU A 22 -0.642 -26.432 -14.901 1.00 0.00 O ATOM 378 OE2 GLU A 22 1.112 -26.550 -16.208 1.00 0.00 O ATOM 0 H GLU A 22 0.151 -21.947 -12.937 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.641 -24.633 -13.187 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.341 -22.784 -14.321 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.063 -24.364 -14.089 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.560 -23.896 -15.574 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.000 -24.014 -16.362 1.00 0.00 H new ATOM 385 N TYR A 23 1.614 -24.203 -10.925 1.00 0.00 N ATOM 386 CA TYR A 23 2.522 -24.769 -9.925 1.00 0.00 C ATOM 387 C TYR A 23 1.892 -24.769 -8.518 1.00 0.00 C ATOM 388 O TYR A 23 2.549 -25.123 -7.535 1.00 0.00 O ATOM 389 CB TYR A 23 3.858 -24.010 -9.998 1.00 0.00 C ATOM 390 CG TYR A 23 4.644 -24.264 -11.275 1.00 0.00 C ATOM 391 CD1 TYR A 23 4.425 -23.470 -12.419 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.591 -25.308 -11.320 1.00 0.00 C ATOM 393 CE1 TYR A 23 5.141 -23.724 -13.607 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.314 -25.561 -12.503 1.00 0.00 C ATOM 395 CZ TYR A 23 6.087 -24.771 -13.653 1.00 0.00 C ATOM 396 OH TYR A 23 6.774 -25.011 -14.804 1.00 0.00 O ATOM 0 H TYR A 23 1.428 -23.213 -10.768 1.00 0.00 H new ATOM 0 HA TYR A 23 2.713 -25.820 -10.143 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.662 -22.941 -9.910 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.472 -24.293 -9.143 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.706 -22.664 -12.385 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.763 -25.916 -10.444 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.965 -23.117 -14.483 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.042 -26.359 -12.531 1.00 0.00 H new ATOM 0 HH TYR A 23 7.386 -25.764 -14.668 1.00 0.00 H new ATOM 406 N THR A 24 0.601 -24.423 -8.423 1.00 0.00 N ATOM 407 CA THR A 24 -0.178 -24.356 -7.172 1.00 0.00 C ATOM 408 C THR A 24 -1.588 -24.948 -7.308 1.00 0.00 C ATOM 409 O THR A 24 -2.057 -25.641 -6.406 1.00 0.00 O ATOM 410 CB THR A 24 -0.299 -22.900 -6.689 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.032 -22.154 -7.628 1.00 0.00 O ATOM 412 CG2 THR A 24 1.034 -22.189 -6.462 1.00 0.00 C ATOM 0 H THR A 24 0.048 -24.173 -9.242 1.00 0.00 H new ATOM 0 HA THR A 24 0.369 -24.957 -6.446 1.00 0.00 H new ATOM 0 HB THR A 24 -0.798 -22.958 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.427 -21.815 -8.321 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.850 -21.170 -6.123 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.608 -22.725 -5.706 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.597 -22.165 -7.395 1.00 0.00 H new ATOM 420 N HIS A 25 -2.253 -24.711 -8.446 1.00 0.00 N ATOM 421 CA HIS A 25 -3.665 -25.007 -8.748 1.00 0.00 C ATOM 422 C HIS A 25 -4.634 -24.665 -7.588 1.00 0.00 C ATOM 423 O HIS A 25 -5.558 -25.422 -7.284 1.00 0.00 O ATOM 424 CB HIS A 25 -3.789 -26.442 -9.314 1.00 0.00 C ATOM 425 CG HIS A 25 -3.427 -26.540 -10.780 1.00 0.00 C ATOM 426 ND1 HIS A 25 -4.325 -26.467 -11.833 1.00 0.00 N ATOM 427 CD2 HIS A 25 -2.176 -26.696 -11.316 1.00 0.00 C ATOM 428 CE1 HIS A 25 -3.632 -26.567 -12.984 1.00 0.00 C ATOM 429 NE2 HIS A 25 -2.325 -26.709 -12.695 1.00 0.00 N ATOM 0 H HIS A 25 -1.786 -24.275 -9.241 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.003 -24.331 -9.534 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.143 -27.108 -8.742 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.812 -26.793 -9.175 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.250 -26.791 -10.769 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.056 -26.538 -13.977 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.571 -26.809 -13.375 1.00 0.00 H new ATOM 438 N ASN A 26 -4.418 -23.518 -6.932 1.00 0.00 N ATOM 439 CA ASN A 26 -5.164 -23.082 -5.740 1.00 0.00 C ATOM 440 C ASN A 26 -6.233 -22.015 -6.047 1.00 0.00 C ATOM 441 O ASN A 26 -6.029 -21.160 -6.914 1.00 0.00 O ATOM 442 CB ASN A 26 -4.156 -22.666 -4.653 1.00 0.00 C ATOM 443 CG ASN A 26 -3.504 -23.883 -4.007 1.00 0.00 C ATOM 444 OD1 ASN A 26 -2.199 -23.898 -3.865 1.00 0.00 O flip ATOM 445 ND2 ASN A 26 -4.162 -24.834 -3.608 1.00 0.00 N flip ATOM 0 H ASN A 26 -3.703 -22.850 -7.220 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.751 -23.918 -5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.388 -22.029 -5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.663 -22.075 -3.891 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.177 -24.832 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.696 -25.629 -3.170 1.00 0.00 H new ATOM 452 N PRO A 27 -7.372 -22.025 -5.317 1.00 0.00 N ATOM 453 CA PRO A 27 -8.517 -21.151 -5.590 1.00 0.00 C ATOM 454 C PRO A 27 -8.253 -19.679 -5.249 1.00 0.00 C ATOM 455 O PRO A 27 -9.030 -18.810 -5.640 1.00 0.00 O ATOM 456 CB PRO A 27 -9.670 -21.720 -4.754 1.00 0.00 C ATOM 457 CG PRO A 27 -8.958 -22.355 -3.561 1.00 0.00 C ATOM 458 CD PRO A 27 -7.685 -22.909 -4.196 1.00 0.00 C ATOM 0 HA PRO A 27 -8.742 -21.143 -6.656 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.363 -20.939 -4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.249 -22.454 -5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.739 -21.624 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.558 -23.140 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.867 -22.929 -3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.834 -23.933 -4.538 1.00 0.00 H new ATOM 466 N VAL A 28 -7.156 -19.370 -4.548 1.00 0.00 N ATOM 467 CA VAL A 28 -6.767 -18.004 -4.218 1.00 0.00 C ATOM 468 C VAL A 28 -6.386 -17.195 -5.450 1.00 0.00 C ATOM 469 O VAL A 28 -6.754 -16.031 -5.549 1.00 0.00 O ATOM 470 CB VAL A 28 -5.632 -18.021 -3.190 1.00 0.00 C ATOM 471 CG1 VAL A 28 -6.116 -18.575 -1.848 1.00 0.00 C ATOM 472 CG2 VAL A 28 -4.356 -18.760 -3.622 1.00 0.00 C ATOM 0 H VAL A 28 -6.509 -20.074 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.633 -17.506 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.346 -16.973 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.291 -18.576 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.924 -17.950 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.479 -19.594 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.618 -18.711 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.593 -19.803 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.950 -18.291 -4.518 1.00 0.00 H new ATOM 482 N LEU A 29 -5.727 -17.796 -6.444 1.00 0.00 N ATOM 483 CA LEU A 29 -5.329 -17.101 -7.667 1.00 0.00 C ATOM 484 C LEU A 29 -6.546 -16.676 -8.509 1.00 0.00 C ATOM 485 O LEU A 29 -6.520 -15.615 -9.135 1.00 0.00 O ATOM 486 CB LEU A 29 -4.350 -17.995 -8.440 1.00 0.00 C ATOM 487 CG LEU A 29 -3.042 -18.265 -7.664 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.007 -19.677 -7.084 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.827 -18.096 -8.571 1.00 0.00 C ATOM 0 H LEU A 29 -5.455 -18.779 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.823 -16.170 -7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.835 -18.945 -8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.110 -17.524 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.011 -17.540 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.071 -19.826 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.844 -19.810 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.081 -20.404 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.918 -18.291 -8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.893 -18.798 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.801 -17.077 -8.958 1.00 0.00 H new ATOM 501 N ALA A 30 -7.649 -17.431 -8.415 1.00 0.00 N ATOM 502 CA ALA A 30 -8.966 -17.081 -8.961 1.00 0.00 C ATOM 503 C ALA A 30 -9.677 -15.920 -8.216 1.00 0.00 C ATOM 504 O ALA A 30 -10.785 -15.538 -8.595 1.00 0.00 O ATOM 505 CB ALA A 30 -9.827 -18.351 -8.997 1.00 0.00 C ATOM 0 H ALA A 30 -7.648 -18.334 -7.940 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.818 -16.694 -9.969 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.811 -18.112 -9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.347 -19.098 -9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.935 -18.746 -7.987 1.00 0.00 H new ATOM 511 N LYS A 31 -9.040 -15.331 -7.193 1.00 0.00 N ATOM 512 CA LYS A 31 -9.424 -14.085 -6.519 1.00 0.00 C ATOM 513 C LYS A 31 -8.350 -13.012 -6.680 1.00 0.00 C ATOM 514 O LYS A 31 -8.666 -11.880 -7.032 1.00 0.00 O ATOM 515 CB LYS A 31 -9.687 -14.323 -5.017 1.00 0.00 C ATOM 516 CG LYS A 31 -10.646 -15.478 -4.687 1.00 0.00 C ATOM 517 CD LYS A 31 -10.802 -15.619 -3.165 1.00 0.00 C ATOM 518 CE LYS A 31 -11.652 -16.850 -2.827 1.00 0.00 C ATOM 519 NZ LYS A 31 -11.831 -17.005 -1.359 1.00 0.00 N ATOM 0 H LYS A 31 -8.194 -15.736 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.343 -13.738 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.733 -14.514 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.089 -13.406 -4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.618 -15.295 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.265 -16.408 -5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.821 -15.708 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.269 -14.723 -2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.627 -16.762 -3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.177 -17.743 -3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.410 -17.847 -1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.901 -17.114 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.307 -16.163 -0.976 1.00 0.00 H new ATOM 533 N ILE A 32 -7.081 -13.376 -6.485 1.00 0.00 N ATOM 534 CA ILE A 32 -5.952 -12.440 -6.471 1.00 0.00 C ATOM 535 C ILE A 32 -5.794 -11.771 -7.836 1.00 0.00 C ATOM 536 O ILE A 32 -6.001 -10.565 -7.958 1.00 0.00 O ATOM 537 CB ILE A 32 -4.637 -13.123 -6.034 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.661 -13.773 -4.634 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.533 -12.060 -6.020 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.642 -14.921 -4.548 1.00 0.00 C ATOM 0 H ILE A 32 -6.803 -14.345 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.173 -11.672 -5.730 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.472 -13.929 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.436 -13.023 -3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.661 -14.151 -4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.592 -12.517 -5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.423 -11.636 -7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.798 -11.270 -5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.676 -15.364 -3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.885 -15.680 -5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.641 -14.534 -4.738 1.00 0.00 H new ATOM 552 N LEU A 33 -5.476 -12.546 -8.878 1.00 0.00 N ATOM 553 CA LEU A 33 -5.277 -11.990 -10.216 1.00 0.00 C ATOM 554 C LEU A 33 -6.615 -11.585 -10.842 1.00 0.00 C ATOM 555 O LEU A 33 -6.648 -10.678 -11.667 1.00 0.00 O ATOM 556 CB LEU A 33 -4.426 -12.954 -11.067 1.00 0.00 C ATOM 557 CG LEU A 33 -5.193 -13.886 -12.023 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.258 -13.331 -13.447 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.569 -15.280 -12.110 1.00 0.00 C ATOM 0 H LEU A 33 -5.352 -13.557 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.705 -11.064 -10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.726 -12.362 -11.656 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.832 -13.571 -10.393 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.194 -13.952 -11.598 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.809 -14.024 -14.083 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.764 -12.366 -13.439 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.247 -13.207 -13.836 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.149 -15.896 -12.797 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.544 -15.198 -12.473 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.568 -15.741 -11.122 1.00 0.00 H new ATOM 571 N GLU A 34 -7.719 -12.207 -10.406 1.00 0.00 N ATOM 572 CA GLU A 34 -9.059 -11.779 -10.803 1.00 0.00 C ATOM 573 C GLU A 34 -9.312 -10.321 -10.384 1.00 0.00 C ATOM 574 O GLU A 34 -9.890 -9.552 -11.154 1.00 0.00 O ATOM 575 CB GLU A 34 -10.133 -12.740 -10.268 1.00 0.00 C ATOM 576 CG GLU A 34 -11.515 -12.407 -10.851 1.00 0.00 C ATOM 577 CD GLU A 34 -12.582 -13.458 -10.483 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.742 -14.452 -11.235 1.00 0.00 O ATOM 579 OE2 GLU A 34 -13.316 -13.260 -9.482 1.00 0.00 O ATOM 0 H GLU A 34 -7.706 -13.010 -9.777 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.124 -11.816 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.866 -13.766 -10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.170 -12.680 -9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.833 -11.430 -10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.440 -12.335 -11.936 1.00 0.00 H new ATOM 586 N ASP A 35 -8.811 -9.900 -9.215 1.00 0.00 N ATOM 587 CA ASP A 35 -8.832 -8.497 -8.817 1.00 0.00 C ATOM 588 C ASP A 35 -7.749 -7.632 -9.466 1.00 0.00 C ATOM 589 O ASP A 35 -8.082 -6.545 -9.935 1.00 0.00 O ATOM 590 CB ASP A 35 -8.773 -8.403 -7.294 1.00 0.00 C ATOM 591 CG ASP A 35 -10.003 -8.972 -6.561 1.00 0.00 C ATOM 592 OD1 ASP A 35 -11.134 -8.922 -7.111 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.829 -9.430 -5.406 1.00 0.00 O ATOM 0 H ASP A 35 -8.384 -10.521 -8.528 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.770 -8.084 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.885 -8.930 -6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.653 -7.357 -7.013 1.00 0.00 H new ATOM 598 N GLU A 36 -6.496 -8.080 -9.598 1.00 0.00 N ATOM 599 CA GLU A 36 -5.478 -7.305 -10.319 1.00 0.00 C ATOM 600 C GLU A 36 -5.874 -6.986 -11.772 1.00 0.00 C ATOM 601 O GLU A 36 -5.477 -5.951 -12.308 1.00 0.00 O ATOM 602 CB GLU A 36 -4.135 -8.041 -10.322 1.00 0.00 C ATOM 603 CG GLU A 36 -3.534 -8.370 -8.948 1.00 0.00 C ATOM 604 CD GLU A 36 -3.068 -7.176 -8.124 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.404 -6.000 -8.395 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.343 -7.356 -7.115 1.00 0.00 O ATOM 0 H GLU A 36 -6.163 -8.967 -9.219 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.391 -6.360 -9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.257 -8.973 -10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.415 -7.436 -10.874 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.277 -8.919 -8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.686 -9.039 -9.094 1.00 0.00 H new ATOM 613 N GLU A 37 -6.712 -7.824 -12.391 1.00 0.00 N ATOM 614 CA GLU A 37 -7.207 -7.631 -13.767 1.00 0.00 C ATOM 615 C GLU A 37 -8.144 -6.416 -13.866 1.00 0.00 C ATOM 616 O GLU A 37 -8.191 -5.737 -14.894 1.00 0.00 O ATOM 617 CB GLU A 37 -7.893 -8.929 -14.226 1.00 0.00 C ATOM 618 CG GLU A 37 -8.163 -9.038 -15.737 1.00 0.00 C ATOM 619 CD GLU A 37 -9.460 -8.360 -16.234 1.00 0.00 C ATOM 620 OE1 GLU A 37 -10.463 -8.283 -15.484 1.00 0.00 O ATOM 621 OE2 GLU A 37 -9.508 -7.963 -17.424 1.00 0.00 O ATOM 0 H GLU A 37 -7.073 -8.669 -11.948 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.369 -7.416 -14.430 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.273 -9.773 -13.924 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.841 -9.024 -13.697 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.319 -8.602 -16.271 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.200 -10.094 -16.006 1.00 0.00 H new ATOM 628 N LYS A 38 -8.830 -6.103 -12.759 1.00 0.00 N ATOM 629 CA LYS A 38 -9.670 -4.912 -12.572 1.00 0.00 C ATOM 630 C LYS A 38 -8.867 -3.721 -12.071 1.00 0.00 C ATOM 631 O LYS A 38 -9.065 -2.626 -12.581 1.00 0.00 O ATOM 632 CB LYS A 38 -10.803 -5.218 -11.575 1.00 0.00 C ATOM 633 CG LYS A 38 -11.700 -6.368 -12.056 1.00 0.00 C ATOM 634 CD LYS A 38 -12.795 -6.779 -11.062 1.00 0.00 C ATOM 635 CE LYS A 38 -12.142 -7.397 -9.823 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.101 -8.063 -8.910 1.00 0.00 N ATOM 0 H LYS A 38 -8.814 -6.700 -11.932 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.087 -4.653 -13.545 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.374 -5.474 -10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.408 -4.323 -11.429 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.170 -6.077 -12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.075 -7.235 -12.268 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.391 -5.911 -10.779 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.474 -7.495 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.394 -8.123 -10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.615 -6.617 -9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.585 -8.486 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.781 -7.363 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.612 -8.808 -9.426 1.00 0.00 H new ATOM 650 N HIS A 39 -7.952 -3.911 -11.118 1.00 0.00 N ATOM 651 CA HIS A 39 -7.236 -2.870 -10.386 1.00 0.00 C ATOM 652 C HIS A 39 -6.579 -1.793 -11.264 1.00 0.00 C ATOM 653 O HIS A 39 -6.717 -0.606 -10.968 1.00 0.00 O ATOM 654 CB HIS A 39 -6.190 -3.582 -9.534 1.00 0.00 C ATOM 655 CG HIS A 39 -6.642 -4.174 -8.227 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.754 -4.473 -7.190 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.918 -4.467 -7.833 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.523 -4.926 -6.186 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.820 -4.931 -6.542 1.00 0.00 N ATOM 0 H HIS A 39 -7.677 -4.848 -10.822 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.959 -2.314 -9.789 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.757 -4.383 -10.133 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.389 -2.873 -9.323 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.739 -4.369 -7.195 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.820 -4.357 -8.417 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.150 -5.243 -5.223 1.00 0.00 H new ATOM 667 N ILE A 40 -5.900 -2.184 -12.352 1.00 0.00 N ATOM 668 CA ILE A 40 -5.269 -1.219 -13.279 1.00 0.00 C ATOM 669 C ILE A 40 -6.308 -0.326 -13.966 1.00 0.00 C ATOM 670 O ILE A 40 -6.108 0.882 -14.066 1.00 0.00 O ATOM 671 CB ILE A 40 -4.381 -1.926 -14.333 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.245 -2.678 -13.617 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.782 -0.920 -15.339 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.269 -3.403 -14.551 1.00 0.00 C ATOM 0 H ILE A 40 -5.771 -3.161 -12.616 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.626 -0.582 -12.671 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.005 -2.625 -14.890 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.685 -1.968 -13.008 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.683 -3.407 -12.935 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.165 -1.453 -16.063 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.588 -0.403 -15.860 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.169 -0.193 -14.806 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.503 -3.904 -13.959 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.811 -4.141 -15.142 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.797 -2.680 -15.217 1.00 0.00 H new ATOM 686 N GLU A 41 -7.430 -0.890 -14.416 1.00 0.00 N ATOM 687 CA GLU A 41 -8.518 -0.093 -14.992 1.00 0.00 C ATOM 688 C GLU A 41 -9.284 0.690 -13.919 1.00 0.00 C ATOM 689 O GLU A 41 -9.614 1.851 -14.137 1.00 0.00 O ATOM 690 CB GLU A 41 -9.442 -0.968 -15.853 1.00 0.00 C ATOM 691 CG GLU A 41 -8.748 -1.323 -17.179 1.00 0.00 C ATOM 692 CD GLU A 41 -9.654 -2.143 -18.119 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.758 -1.667 -18.484 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.253 -3.256 -18.538 1.00 0.00 O ATOM 0 H GLU A 41 -7.610 -1.894 -14.394 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.073 0.653 -15.651 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.700 -1.879 -15.313 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.375 -0.440 -16.052 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.443 -0.406 -17.683 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.840 -1.889 -16.970 1.00 0.00 H new ATOM 701 N TRP A 42 -9.475 0.117 -12.728 1.00 0.00 N ATOM 702 CA TRP A 42 -10.082 0.765 -11.559 1.00 0.00 C ATOM 703 C TRP A 42 -9.419 2.103 -11.163 1.00 0.00 C ATOM 704 O TRP A 42 -10.138 3.050 -10.845 1.00 0.00 O ATOM 705 CB TRP A 42 -10.130 -0.282 -10.424 1.00 0.00 C ATOM 706 CG TRP A 42 -11.314 -1.203 -10.402 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.311 -1.262 -11.318 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.650 -2.203 -9.391 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.250 -2.195 -10.925 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.897 -2.803 -9.740 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.025 -2.666 -8.211 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.501 -3.796 -8.953 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.611 -3.676 -7.425 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.849 -4.237 -7.787 1.00 0.00 C ATOM 0 H TRP A 42 -9.201 -0.848 -12.543 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.096 1.081 -11.802 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.228 -0.890 -10.485 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.094 0.247 -9.472 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.363 -0.669 -12.219 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.100 -2.408 -11.447 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.081 -2.237 -7.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.454 -4.216 -9.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.106 -4.023 -6.536 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.297 -5.003 -7.172 1.00 0.00 H new ATOM 725 N LEU A 43 -8.089 2.246 -11.263 1.00 0.00 N ATOM 726 CA LEU A 43 -7.390 3.536 -11.067 1.00 0.00 C ATOM 727 C LEU A 43 -7.275 4.417 -12.327 1.00 0.00 C ATOM 728 O LEU A 43 -7.017 5.611 -12.199 1.00 0.00 O ATOM 729 CB LEU A 43 -6.048 3.316 -10.352 1.00 0.00 C ATOM 730 CG LEU A 43 -5.040 2.501 -11.172 1.00 0.00 C ATOM 731 CD1 LEU A 43 -4.094 3.377 -11.989 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.195 1.628 -10.258 1.00 0.00 C ATOM 0 H LEU A 43 -7.462 1.472 -11.482 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.030 4.132 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.610 4.285 -10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.230 2.807 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.632 1.895 -11.858 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.404 2.745 -12.548 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.672 3.987 -12.684 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.530 4.026 -11.319 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.485 1.056 -10.855 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.652 2.258 -9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.841 0.943 -9.709 1.00 0.00 H new ATOM 744 N GLU A 44 -7.506 3.883 -13.530 1.00 0.00 N ATOM 745 CA GLU A 44 -7.534 4.638 -14.793 1.00 0.00 C ATOM 746 C GLU A 44 -8.899 5.285 -15.059 1.00 0.00 C ATOM 747 O GLU A 44 -8.964 6.416 -15.539 1.00 0.00 O ATOM 748 CB GLU A 44 -7.200 3.671 -15.942 1.00 0.00 C ATOM 749 CG GLU A 44 -5.912 4.021 -16.701 1.00 0.00 C ATOM 750 CD GLU A 44 -6.114 5.167 -17.715 1.00 0.00 C ATOM 751 OE1 GLU A 44 -6.899 4.998 -18.680 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.462 6.229 -17.579 1.00 0.00 O ATOM 0 H GLU A 44 -7.684 2.887 -13.659 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.803 5.443 -14.724 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.109 2.662 -15.539 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.032 3.659 -16.646 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.139 4.305 -15.987 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.552 3.136 -17.225 1.00 0.00 H new ATOM 759 N THR A 45 -9.989 4.603 -14.695 1.00 0.00 N ATOM 760 CA THR A 45 -11.362 5.114 -14.745 1.00 0.00 C ATOM 761 C THR A 45 -11.502 6.475 -14.050 1.00 0.00 C ATOM 762 O THR A 45 -12.192 7.359 -14.560 1.00 0.00 O ATOM 763 CB THR A 45 -12.339 4.080 -14.163 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.396 2.937 -14.994 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.773 4.585 -14.012 1.00 0.00 C ATOM 0 H THR A 45 -9.938 3.646 -14.345 1.00 0.00 H new ATOM 0 HA THR A 45 -11.616 5.277 -15.792 1.00 0.00 H new ATOM 0 HB THR A 45 -11.946 3.857 -13.171 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.575 2.413 -14.886 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.396 3.793 -13.595 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.787 5.447 -13.345 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.161 4.876 -14.988 1.00 0.00 H new ATOM 773 N ILE A 46 -10.778 6.676 -12.940 1.00 0.00 N ATOM 774 CA ILE A 46 -10.685 7.956 -12.207 1.00 0.00 C ATOM 775 C ILE A 46 -10.239 9.121 -13.108 1.00 0.00 C ATOM 776 O ILE A 46 -10.732 10.246 -12.990 1.00 0.00 O ATOM 777 CB ILE A 46 -9.694 7.848 -11.017 1.00 0.00 C ATOM 778 CG1 ILE A 46 -9.792 6.544 -10.198 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.827 9.061 -10.076 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.166 6.247 -9.585 1.00 0.00 C ATOM 0 H ILE A 46 -10.224 5.935 -12.512 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.691 8.164 -11.841 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.710 7.833 -11.485 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.514 5.710 -10.842 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.057 6.585 -9.394 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.122 8.960 -9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.611 9.975 -10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.842 9.106 -9.682 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.122 5.309 -9.032 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.445 7.055 -8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.909 6.166 -10.379 1.00 0.00 H new ATOM 792 N LEU A 47 -9.281 8.845 -13.993 1.00 0.00 N ATOM 793 CA LEU A 47 -8.486 9.836 -14.715 1.00 0.00 C ATOM 794 C LEU A 47 -9.154 10.334 -16.009 1.00 0.00 C ATOM 795 O LEU A 47 -8.926 11.472 -16.426 1.00 0.00 O ATOM 796 CB LEU A 47 -7.102 9.234 -15.034 1.00 0.00 C ATOM 797 CG LEU A 47 -6.389 8.568 -13.841 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.108 7.890 -14.312 1.00 0.00 C ATOM 799 CD2 LEU A 47 -6.050 9.555 -12.722 1.00 0.00 C ATOM 0 H LEU A 47 -9.028 7.887 -14.235 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.391 10.708 -14.067 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.218 8.495 -15.827 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.461 10.024 -15.426 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.084 7.835 -13.433 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.611 7.422 -13.463 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.351 7.130 -15.054 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.445 8.633 -14.756 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.550 9.027 -11.910 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.391 10.332 -13.110 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.967 10.010 -12.348 1.00 0.00 H new ATOM 811 N GLY A 48 -9.978 9.491 -16.640 1.00 0.00 N ATOM 812 CA GLY A 48 -10.648 9.789 -17.913 1.00 0.00 C ATOM 813 C GLY A 48 -11.494 8.641 -18.485 1.00 0.00 C ATOM 814 O GLY A 48 -11.702 8.564 -19.695 1.00 0.00 O ATOM 0 H GLY A 48 -10.203 8.566 -16.275 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.290 10.659 -17.774 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.892 10.065 -18.648 1.00 0.00 H new ATOM 828 N ASP B 1 10.577 -20.033 -5.898 1.00 0.00 N ATOM 829 CA ASP B 1 11.230 -18.718 -5.745 1.00 0.00 C ATOM 830 C ASP B 1 10.434 -17.538 -6.340 1.00 0.00 C ATOM 831 O ASP B 1 10.519 -16.403 -5.870 1.00 0.00 O ATOM 832 CB ASP B 1 12.618 -18.803 -6.391 1.00 0.00 C ATOM 833 CG ASP B 1 13.526 -17.627 -5.993 1.00 0.00 C ATOM 834 OD1 ASP B 1 13.896 -17.527 -4.798 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.906 -16.825 -6.880 1.00 0.00 O ATOM 0 H1 ASP B 1 11.133 -20.757 -5.399 1.00 0.00 H new ATOM 0 H2 ASP B 1 9.619 -19.994 -5.495 1.00 0.00 H new ATOM 0 H3 ASP B 1 10.518 -20.276 -6.907 1.00 0.00 H new ATOM 0 HA ASP B 1 11.292 -18.505 -4.678 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.094 -19.740 -6.100 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.510 -18.823 -7.475 1.00 0.00 H new ATOM 840 N TYR B 2 9.612 -17.819 -7.351 1.00 0.00 N ATOM 841 CA TYR B 2 8.695 -16.858 -7.979 1.00 0.00 C ATOM 842 C TYR B 2 7.682 -16.236 -7.001 1.00 0.00 C ATOM 843 O TYR B 2 7.332 -15.064 -7.129 1.00 0.00 O ATOM 844 CB TYR B 2 7.978 -17.540 -9.152 1.00 0.00 C ATOM 845 CG TYR B 2 7.003 -18.648 -8.788 1.00 0.00 C ATOM 846 CD1 TYR B 2 7.455 -19.977 -8.653 1.00 0.00 C ATOM 847 CD2 TYR B 2 5.642 -18.347 -8.589 1.00 0.00 C ATOM 848 CE1 TYR B 2 6.558 -20.995 -8.274 1.00 0.00 C ATOM 849 CE2 TYR B 2 4.744 -19.365 -8.214 1.00 0.00 C ATOM 850 CZ TYR B 2 5.202 -20.686 -8.035 1.00 0.00 C ATOM 851 OH TYR B 2 4.340 -21.647 -7.610 1.00 0.00 O ATOM 0 H TYR B 2 9.562 -18.747 -7.770 1.00 0.00 H new ATOM 0 HA TYR B 2 9.297 -16.023 -8.338 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.437 -16.778 -9.713 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.732 -17.953 -9.821 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.492 -20.215 -8.841 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.287 -17.336 -8.724 1.00 0.00 H new ATOM 0 HE1 TYR B 2 6.908 -22.011 -8.166 1.00 0.00 H new ATOM 0 HE2 TYR B 2 3.700 -19.133 -8.063 1.00 0.00 H new ATOM 0 HH TYR B 2 3.641 -21.238 -7.058 1.00 0.00 H new ATOM 861 N LEU B 3 7.249 -17.000 -5.994 1.00 0.00 N ATOM 862 CA LEU B 3 6.357 -16.540 -4.915 1.00 0.00 C ATOM 863 C LEU B 3 7.039 -15.458 -4.062 1.00 0.00 C ATOM 864 O LEU B 3 6.476 -14.383 -3.848 1.00 0.00 O ATOM 865 CB LEU B 3 5.931 -17.730 -4.028 1.00 0.00 C ATOM 866 CG LEU B 3 5.067 -18.772 -4.763 1.00 0.00 C ATOM 867 CD1 LEU B 3 5.095 -20.122 -4.052 1.00 0.00 C ATOM 868 CD2 LEU B 3 3.607 -18.318 -4.875 1.00 0.00 C ATOM 0 H LEU B 3 7.513 -17.981 -5.900 1.00 0.00 H new ATOM 0 HA LEU B 3 5.468 -16.104 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU B 3 6.824 -18.220 -3.640 1.00 0.00 H new ATOM 0 HB3 LEU B 3 5.376 -17.352 -3.169 1.00 0.00 H new ATOM 0 HG LEU B 3 5.495 -18.873 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU B 3 4.475 -20.833 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.120 -20.491 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.710 -20.008 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU B 3 3.029 -19.079 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.194 -18.172 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.559 -17.380 -5.428 1.00 0.00 H new ATOM 880 N ARG B 4 8.285 -15.713 -3.636 1.00 0.00 N ATOM 881 CA ARG B 4 9.133 -14.770 -2.880 1.00 0.00 C ATOM 882 C ARG B 4 9.338 -13.452 -3.636 1.00 0.00 C ATOM 883 O ARG B 4 9.304 -12.382 -3.029 1.00 0.00 O ATOM 884 CB ARG B 4 10.478 -15.457 -2.570 1.00 0.00 C ATOM 885 CG ARG B 4 11.442 -14.659 -1.679 1.00 0.00 C ATOM 886 CD ARG B 4 10.989 -14.597 -0.213 1.00 0.00 C ATOM 887 NE ARG B 4 11.987 -13.913 0.636 1.00 0.00 N ATOM 888 CZ ARG B 4 13.134 -14.401 1.085 1.00 0.00 C ATOM 889 NH1 ARG B 4 13.529 -15.617 0.827 1.00 0.00 N ATOM 890 NH2 ARG B 4 13.922 -13.662 1.813 1.00 0.00 N ATOM 0 H ARG B 4 8.747 -16.605 -3.811 1.00 0.00 H new ATOM 0 HA ARG B 4 8.632 -14.509 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.274 -16.413 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG B 4 10.980 -15.675 -3.513 1.00 0.00 H new ATOM 0 HG2 ARG B 4 12.433 -15.111 -1.729 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.534 -13.645 -2.069 1.00 0.00 H new ATOM 0 HD2 ARG B 4 10.035 -14.073 -0.148 1.00 0.00 H new ATOM 0 HD3 ARG B 4 10.824 -15.608 0.161 1.00 0.00 H new ATOM 0 HE ARG B 4 11.767 -12.955 0.908 1.00 0.00 H new ATOM 0 HH11 ARG B 4 12.947 -16.233 0.259 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.420 -15.952 1.193 1.00 0.00 H new ATOM 0 HH21 ARG B 4 13.657 -12.703 2.040 1.00 0.00 H new ATOM 0 HH22 ARG B 4 14.804 -14.042 2.157 1.00 0.00 H new ATOM 904 N GLU B 5 9.513 -13.524 -4.955 1.00 0.00 N ATOM 905 CA GLU B 5 9.617 -12.351 -5.835 1.00 0.00 C ATOM 906 C GLU B 5 8.295 -11.559 -5.927 1.00 0.00 C ATOM 907 O GLU B 5 8.306 -10.326 -5.919 1.00 0.00 O ATOM 908 CB GLU B 5 10.096 -12.828 -7.217 1.00 0.00 C ATOM 909 CG GLU B 5 10.274 -11.723 -8.269 1.00 0.00 C ATOM 910 CD GLU B 5 11.314 -10.643 -7.894 1.00 0.00 C ATOM 911 OE1 GLU B 5 12.294 -10.938 -7.167 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.175 -9.487 -8.361 1.00 0.00 O ATOM 0 H GLU B 5 9.588 -14.410 -5.454 1.00 0.00 H new ATOM 0 HA GLU B 5 10.340 -11.653 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU B 5 11.047 -13.346 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.382 -13.558 -7.598 1.00 0.00 H new ATOM 0 HG2 GLU B 5 10.569 -12.181 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.311 -11.240 -8.437 1.00 0.00 H new ATOM 919 N LEU B 6 7.153 -12.255 -5.968 1.00 0.00 N ATOM 920 CA LEU B 6 5.803 -11.674 -6.012 1.00 0.00 C ATOM 921 C LEU B 6 5.469 -10.817 -4.779 1.00 0.00 C ATOM 922 O LEU B 6 4.921 -9.720 -4.888 1.00 0.00 O ATOM 923 CB LEU B 6 4.790 -12.836 -6.153 1.00 0.00 C ATOM 924 CG LEU B 6 3.840 -12.659 -7.338 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.570 -12.709 -8.679 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.811 -13.788 -7.360 1.00 0.00 C ATOM 0 H LEU B 6 7.141 -13.275 -5.972 1.00 0.00 H new ATOM 0 HA LEU B 6 5.749 -10.996 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.334 -13.773 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.207 -12.916 -5.236 1.00 0.00 H new ATOM 0 HG LEU B 6 3.372 -11.683 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.852 -12.579 -9.489 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.312 -11.911 -8.719 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.067 -13.673 -8.787 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.140 -13.652 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.323 -14.746 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.235 -13.773 -6.435 1.00 0.00 H new ATOM 938 N LEU B 7 5.832 -11.332 -3.607 1.00 0.00 N ATOM 939 CA LEU B 7 5.626 -10.773 -2.266 1.00 0.00 C ATOM 940 C LEU B 7 6.303 -9.398 -1.970 1.00 0.00 C ATOM 941 O LEU B 7 6.305 -8.993 -0.804 1.00 0.00 O ATOM 942 CB LEU B 7 6.056 -11.875 -1.252 1.00 0.00 C ATOM 943 CG LEU B 7 4.875 -12.655 -0.622 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.043 -14.169 -0.741 1.00 0.00 C ATOM 945 CD2 LEU B 7 4.750 -12.353 0.872 1.00 0.00 C ATOM 0 H LEU B 7 6.319 -12.227 -3.563 1.00 0.00 H new ATOM 0 HA LEU B 7 4.571 -10.516 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.714 -12.581 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.637 -11.412 -0.455 1.00 0.00 H new ATOM 0 HG LEU B 7 3.992 -12.331 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.188 -14.667 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.105 -14.447 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.956 -14.475 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU B 7 3.913 -12.914 1.288 1.00 0.00 H new ATOM 0 HD22 LEU B 7 5.670 -12.643 1.380 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.578 -11.286 1.014 1.00 0.00 H new ATOM 957 N LYS B 8 6.899 -8.660 -2.933 1.00 0.00 N ATOM 958 CA LYS B 8 7.939 -7.661 -2.674 1.00 0.00 C ATOM 959 C LYS B 8 7.789 -6.475 -3.636 1.00 0.00 C ATOM 960 O LYS B 8 8.586 -6.265 -4.552 1.00 0.00 O ATOM 961 CB LYS B 8 9.277 -8.399 -2.791 1.00 0.00 C ATOM 962 CG LYS B 8 10.425 -7.552 -2.257 1.00 0.00 C ATOM 963 CD LYS B 8 11.773 -8.236 -2.492 1.00 0.00 C ATOM 964 CE LYS B 8 12.805 -7.182 -2.120 1.00 0.00 C ATOM 965 NZ LYS B 8 14.201 -7.678 -2.249 1.00 0.00 N ATOM 0 H LYS B 8 6.663 -8.749 -3.921 1.00 0.00 H new ATOM 0 HA LYS B 8 7.865 -7.220 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.227 -9.337 -2.238 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.464 -8.653 -3.834 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.419 -6.577 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.285 -7.376 -1.191 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.878 -9.129 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.883 -8.550 -3.530 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.673 -6.309 -2.759 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.632 -6.856 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 14.864 -6.922 -1.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 14.339 -8.495 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 14.378 -7.965 -3.233 1.00 0.00 H new ATOM 979 N GLY B 9 6.679 -5.758 -3.475 1.00 0.00 N ATOM 980 CA GLY B 9 6.230 -4.698 -4.365 1.00 0.00 C ATOM 981 C GLY B 9 4.727 -4.456 -4.359 1.00 0.00 C ATOM 982 O GLY B 9 4.278 -3.329 -4.537 1.00 0.00 O ATOM 0 H GLY B 9 6.046 -5.908 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.734 -3.772 -4.089 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.541 -4.939 -5.381 1.00 0.00 H new ATOM 986 N GLU B 10 3.947 -5.485 -4.033 1.00 0.00 N ATOM 987 CA GLU B 10 2.512 -5.374 -3.736 1.00 0.00 C ATOM 988 C GLU B 10 2.216 -4.270 -2.701 1.00 0.00 C ATOM 989 O GLU B 10 1.273 -3.502 -2.869 1.00 0.00 O ATOM 990 CB GLU B 10 2.010 -6.748 -3.248 1.00 0.00 C ATOM 991 CG GLU B 10 1.806 -7.803 -4.348 1.00 0.00 C ATOM 992 CD GLU B 10 0.428 -7.666 -4.990 1.00 0.00 C ATOM 993 OE1 GLU B 10 0.045 -6.711 -5.690 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.582 -8.361 -4.747 1.00 0.00 O ATOM 0 H GLU B 10 4.298 -6.440 -3.965 1.00 0.00 H new ATOM 0 HA GLU B 10 1.982 -5.085 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.722 -7.139 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU B 10 1.065 -6.606 -2.724 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.578 -7.693 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.916 -8.801 -3.924 1.00 0.00 H new ATOM 1001 N LEU B 11 3.076 -4.098 -1.688 1.00 0.00 N ATOM 1002 CA LEU B 11 2.984 -3.085 -0.650 1.00 0.00 C ATOM 1003 C LEU B 11 3.722 -1.792 -0.936 1.00 0.00 C ATOM 1004 O LEU B 11 3.360 -0.769 -0.364 1.00 0.00 O ATOM 1005 CB LEU B 11 3.399 -3.778 0.646 1.00 0.00 C ATOM 1006 CG LEU B 11 4.917 -3.967 0.761 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.529 -2.879 1.641 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.240 -5.349 1.315 1.00 0.00 C ATOM 0 H LEU B 11 3.894 -4.697 -1.573 1.00 0.00 H new ATOM 0 HA LEU B 11 1.961 -2.714 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.045 -3.193 1.495 1.00 0.00 H new ATOM 0 HB3 LEU B 11 2.911 -4.751 0.704 1.00 0.00 H new ATOM 0 HG LEU B 11 5.351 -3.885 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.606 -3.030 1.710 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.327 -1.901 1.204 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.091 -2.928 2.638 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.321 -5.467 1.390 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.793 -5.458 2.303 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.837 -6.111 0.648 1.00 0.00 H new ATOM 1020 N GLN B 12 4.621 -1.798 -1.916 1.00 0.00 N ATOM 1021 CA GLN B 12 4.971 -0.595 -2.650 1.00 0.00 C ATOM 1022 C GLN B 12 3.739 -0.041 -3.402 1.00 0.00 C ATOM 1023 O GLN B 12 3.693 1.153 -3.680 1.00 0.00 O ATOM 1024 CB GLN B 12 6.177 -0.884 -3.560 1.00 0.00 C ATOM 1025 CG GLN B 12 7.033 0.362 -3.818 1.00 0.00 C ATOM 1026 CD GLN B 12 8.274 0.010 -4.636 1.00 0.00 C ATOM 1027 OE1 GLN B 12 9.290 -0.438 -4.117 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.245 0.177 -5.941 1.00 0.00 N ATOM 0 H GLN B 12 5.122 -2.633 -2.219 1.00 0.00 H new ATOM 0 HA GLN B 12 5.276 0.195 -1.963 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.795 -1.657 -3.103 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.823 -1.280 -4.512 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.443 1.110 -4.348 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.332 0.806 -2.868 1.00 0.00 H new ATOM 0 HE21 GLN B 12 7.407 0.549 -6.389 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.060 -0.065 -6.504 1.00 0.00 H new ATOM 1037 N GLY B 13 2.702 -0.864 -3.640 1.00 0.00 N ATOM 1038 CA GLY B 13 1.362 -0.429 -4.046 1.00 0.00 C ATOM 1039 C GLY B 13 0.475 -0.037 -2.858 1.00 0.00 C ATOM 1040 O GLY B 13 -0.017 1.090 -2.831 1.00 0.00 O ATOM 0 H GLY B 13 2.780 -1.877 -3.552 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.451 0.421 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.879 -1.231 -4.604 1.00 0.00 H new ATOM 1044 N ILE B 14 0.319 -0.901 -1.840 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.532 -0.631 -0.646 1.00 0.00 C ATOM 1046 C ILE B 14 -0.212 0.742 -0.028 1.00 0.00 C ATOM 1047 O ILE B 14 -1.116 1.545 0.218 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.427 -1.746 0.435 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.849 -3.134 -0.098 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.292 -1.426 1.671 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.437 -4.310 0.800 1.00 0.00 C ATOM 0 H ILE B 14 0.777 -1.812 -1.813 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.561 -0.624 -1.005 1.00 0.00 H new ATOM 0 HB ILE B 14 0.627 -1.776 0.713 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.932 -3.149 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.414 -3.278 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.192 -2.228 2.403 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.960 -0.487 2.114 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.336 -1.337 1.371 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.772 -5.245 0.352 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.648 -4.326 0.904 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.894 -4.195 1.783 1.00 0.00 H new ATOM 1063 N LYS B 15 1.079 1.038 0.180 1.00 0.00 N ATOM 1064 CA LYS B 15 1.537 2.273 0.831 1.00 0.00 C ATOM 1065 C LYS B 15 1.437 3.533 -0.038 1.00 0.00 C ATOM 1066 O LYS B 15 1.412 4.639 0.499 1.00 0.00 O ATOM 1067 CB LYS B 15 2.940 2.062 1.426 1.00 0.00 C ATOM 1068 CG LYS B 15 4.104 2.020 0.417 1.00 0.00 C ATOM 1069 CD LYS B 15 4.847 3.353 0.283 1.00 0.00 C ATOM 1070 CE LYS B 15 6.044 3.168 -0.658 1.00 0.00 C ATOM 1071 NZ LYS B 15 6.795 4.438 -0.834 1.00 0.00 N ATOM 0 H LYS B 15 1.841 0.421 -0.102 1.00 0.00 H new ATOM 0 HA LYS B 15 0.839 2.477 1.643 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.134 2.862 2.140 1.00 0.00 H new ATOM 0 HB3 LYS B 15 2.938 1.127 1.987 1.00 0.00 H new ATOM 0 HG2 LYS B 15 4.811 1.249 0.722 1.00 0.00 H new ATOM 0 HG3 LYS B 15 3.717 1.729 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.177 4.119 -0.107 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.187 3.694 1.261 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.709 2.403 -0.258 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.695 2.812 -1.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.598 4.280 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.166 5.160 -1.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.148 4.764 0.089 1.00 0.00 H new ATOM 1085 N GLN B 16 1.348 3.384 -1.361 1.00 0.00 N ATOM 1086 CA GLN B 16 1.097 4.464 -2.309 1.00 0.00 C ATOM 1087 C GLN B 16 -0.393 4.768 -2.438 1.00 0.00 C ATOM 1088 O GLN B 16 -0.789 5.930 -2.402 1.00 0.00 O ATOM 1089 CB GLN B 16 1.667 4.047 -3.673 1.00 0.00 C ATOM 1090 CG GLN B 16 3.197 4.125 -3.764 1.00 0.00 C ATOM 1091 CD GLN B 16 3.727 5.546 -3.902 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.324 6.104 -2.990 1.00 0.00 O ATOM 1093 NE2 GLN B 16 3.551 6.163 -5.051 1.00 0.00 N ATOM 0 H GLN B 16 1.453 2.476 -1.814 1.00 0.00 H new ATOM 0 HA GLN B 16 1.581 5.372 -1.949 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.353 3.026 -3.889 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.235 4.684 -4.445 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.629 3.670 -2.873 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.533 3.536 -4.618 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.053 5.696 -5.809 1.00 0.00 H new ATOM 0 HE22 GLN B 16 3.912 7.108 -5.183 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.233 3.738 -2.519 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.680 3.890 -2.625 1.00 0.00 C ATOM 1104 C TYR B 17 -3.281 4.653 -1.445 1.00 0.00 C ATOM 1105 O TYR B 17 -4.135 5.521 -1.641 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.338 2.513 -2.720 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.213 1.803 -4.057 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.553 2.480 -5.244 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.824 0.447 -4.111 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.492 1.814 -6.479 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.773 -0.226 -5.348 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.119 0.455 -6.534 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.191 -0.204 -7.720 1.00 0.00 O ATOM 0 H TYR B 17 -0.924 2.766 -2.513 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.874 4.472 -3.526 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.907 1.873 -1.950 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.397 2.622 -2.487 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.862 3.514 -5.205 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.565 -0.076 -3.202 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.731 2.344 -7.389 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.469 -1.262 -5.388 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.035 -1.160 -7.573 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.816 4.375 -0.219 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.318 5.043 0.978 1.00 0.00 C ATOM 1125 C ARG B 18 -2.971 6.540 1.013 1.00 0.00 C ATOM 1126 O ARG B 18 -3.675 7.323 1.648 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.850 4.262 2.216 1.00 0.00 C ATOM 1128 CG ARG B 18 -1.432 4.595 2.706 1.00 0.00 C ATOM 1129 CD ARG B 18 -1.052 3.735 3.917 1.00 0.00 C ATOM 1130 NE ARG B 18 0.234 4.167 4.498 1.00 0.00 N ATOM 1131 CZ ARG B 18 0.790 3.711 5.607 1.00 0.00 C ATOM 1132 NH1 ARG B 18 0.267 2.736 6.297 1.00 0.00 N ATOM 1133 NH2 ARG B 18 1.895 4.234 6.054 1.00 0.00 N ATOM 0 H ARG B 18 -2.087 3.686 -0.035 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.408 5.033 0.968 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -3.551 4.449 3.030 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.898 3.196 1.992 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -0.717 4.430 1.900 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -1.374 5.650 2.973 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -1.835 3.800 4.672 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -0.985 2.689 3.617 1.00 0.00 H new ATOM 0 HE ARG B 18 0.745 4.891 3.993 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -0.600 2.299 5.985 1.00 0.00 H new ATOM 0 HH12 ARG B 18 0.725 2.411 7.148 1.00 0.00 H new ATOM 0 HH21 ARG B 18 2.338 5.001 5.548 1.00 0.00 H new ATOM 0 HH22 ARG B 18 2.318 3.877 6.911 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.911 6.939 0.302 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.496 8.335 0.122 1.00 0.00 C ATOM 1149 C GLU B 19 -2.237 9.016 -1.048 1.00 0.00 C ATOM 1150 O GLU B 19 -2.612 10.180 -0.967 1.00 0.00 O ATOM 1151 CB GLU B 19 0.022 8.339 -0.127 1.00 0.00 C ATOM 1152 CG GLU B 19 0.679 9.671 0.245 1.00 0.00 C ATOM 1153 CD GLU B 19 2.213 9.587 0.108 1.00 0.00 C ATOM 1154 OE1 GLU B 19 2.888 9.124 1.060 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.757 10.000 -0.945 1.00 0.00 O ATOM 0 H GLU B 19 -1.299 6.279 -0.179 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.747 8.904 1.017 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.483 7.538 0.451 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.214 8.125 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.295 10.462 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.416 9.937 1.269 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.500 8.277 -2.127 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.141 8.736 -3.361 1.00 0.00 C ATOM 1164 C ALA B 20 -4.607 9.160 -3.175 1.00 0.00 C ATOM 1165 O ALA B 20 -5.099 10.014 -3.918 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.027 7.619 -4.408 1.00 0.00 C ATOM 0 H ALA B 20 -2.258 7.287 -2.166 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.622 9.635 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.499 7.941 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.975 7.399 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.526 6.723 -4.039 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.305 8.621 -2.168 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.650 9.070 -1.785 1.00 0.00 C ATOM 1174 C LEU B 21 -6.671 10.551 -1.391 1.00 0.00 C ATOM 1175 O LEU B 21 -7.689 11.205 -1.597 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.227 8.154 -0.692 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.738 8.335 -0.421 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.371 7.000 -0.023 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.037 9.306 0.727 1.00 0.00 C ATOM 0 H LEU B 21 -4.951 7.857 -1.593 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.300 8.990 -2.656 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.045 7.117 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.683 8.332 0.235 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.149 8.732 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.435 7.143 0.165 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.239 6.280 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -8.891 6.625 0.881 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.115 9.387 0.864 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.582 8.935 1.645 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.627 10.288 0.489 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.556 11.119 -0.916 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.502 12.555 -0.595 1.00 0.00 C ATOM 1193 C GLU B 22 -5.732 13.470 -1.810 1.00 0.00 C ATOM 1194 O GLU B 22 -6.233 14.587 -1.658 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.159 12.904 0.043 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.119 12.535 1.533 1.00 0.00 C ATOM 1197 CD GLU B 22 -2.790 12.954 2.192 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -2.548 14.176 2.359 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -1.991 12.068 2.584 1.00 0.00 O ATOM 0 H GLU B 22 -4.686 10.615 -0.746 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.321 12.734 0.102 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.361 12.380 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.969 13.971 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.949 13.018 2.049 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.257 11.460 1.645 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.413 12.979 -3.007 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.643 13.668 -4.282 1.00 0.00 C ATOM 1208 C TYR B 23 -6.859 13.132 -5.061 1.00 0.00 C ATOM 1209 O TYR B 23 -7.575 13.917 -5.685 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.371 13.571 -5.136 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.154 14.202 -4.481 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -3.072 15.604 -4.366 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -2.123 13.392 -3.962 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.965 16.199 -3.731 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.013 13.984 -3.328 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.932 15.389 -3.208 1.00 0.00 C ATOM 1217 OH TYR B 23 0.140 15.955 -2.588 1.00 0.00 O ATOM 0 H TYR B 23 -4.975 12.065 -3.123 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.874 14.708 -4.054 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -4.160 12.522 -5.342 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.549 14.055 -6.096 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -3.861 16.224 -4.766 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -2.184 12.317 -4.051 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -1.905 17.274 -3.644 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.223 13.363 -2.933 1.00 0.00 H new ATOM 0 HH TYR B 23 0.753 15.252 -2.288 1.00 0.00 H new ATOM 1227 N THR B 24 -7.126 11.822 -5.016 1.00 0.00 N ATOM 1228 CA THR B 24 -8.206 11.181 -5.802 1.00 0.00 C ATOM 1229 C THR B 24 -9.560 11.130 -5.086 1.00 0.00 C ATOM 1230 O THR B 24 -10.593 11.107 -5.757 1.00 0.00 O ATOM 1231 CB THR B 24 -7.836 9.750 -6.222 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.568 8.968 -5.087 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.610 9.681 -7.131 1.00 0.00 C ATOM 0 H THR B 24 -6.602 11.168 -4.434 1.00 0.00 H new ATOM 0 HA THR B 24 -8.310 11.823 -6.677 1.00 0.00 H new ATOM 0 HB THR B 24 -8.695 9.374 -6.778 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.696 9.219 -4.715 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.406 8.642 -7.388 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.799 10.250 -8.041 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.749 10.102 -6.613 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.579 11.126 -3.746 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.755 11.066 -2.851 1.00 0.00 C ATOM 1243 C HIS B 25 -11.883 10.070 -3.242 1.00 0.00 C ATOM 1244 O HIS B 25 -13.047 10.277 -2.890 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.246 12.503 -2.564 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.467 13.161 -1.451 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.761 13.078 -0.099 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.328 13.903 -1.582 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.816 13.762 0.578 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.939 14.278 -0.308 1.00 0.00 N ATOM 0 H HIS B 25 -8.710 11.168 -3.214 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.412 10.610 -1.923 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.158 13.103 -3.470 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.303 12.478 -2.299 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.826 14.150 -2.506 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.769 13.877 1.651 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.126 14.849 -0.077 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.575 8.991 -3.971 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.574 8.089 -4.574 1.00 0.00 C ATOM 1261 C ASN B 26 -12.813 6.802 -3.745 1.00 0.00 C ATOM 1262 O ASN B 26 -11.871 6.273 -3.148 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.143 7.775 -6.025 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.956 8.563 -7.043 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.874 8.049 -7.662 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.668 9.828 -7.235 1.00 0.00 N ATOM 0 H ASN B 26 -10.613 8.713 -4.164 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.538 8.597 -4.580 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.085 8.007 -6.148 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.259 6.708 -6.215 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -13.210 10.379 -7.900 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -11.902 10.261 -6.719 1.00 0.00 H new ATOM 1273 N PRO B 27 -14.040 6.230 -3.765 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.381 4.988 -3.051 1.00 0.00 C ATOM 1275 C PRO B 27 -13.731 3.735 -3.664 1.00 0.00 C ATOM 1276 O PRO B 27 -13.717 2.666 -3.060 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.911 4.899 -3.116 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.247 5.594 -4.434 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.210 6.714 -4.495 1.00 0.00 C ATOM 0 HA PRO B 27 -14.002 5.020 -2.030 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -16.255 3.865 -3.108 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.379 5.397 -2.267 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.161 4.916 -5.283 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.265 5.984 -4.439 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.954 6.951 -5.528 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.598 7.628 -4.046 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.176 3.860 -4.870 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.504 2.786 -5.616 1.00 0.00 C ATOM 1289 C VAL B 28 -11.197 2.345 -4.960 1.00 0.00 C ATOM 1290 O VAL B 28 -10.857 1.165 -5.000 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.284 3.230 -7.069 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.858 2.050 -7.926 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.547 3.820 -7.721 1.00 0.00 C ATOM 0 H VAL B 28 -13.180 4.745 -5.377 1.00 0.00 H new ATOM 0 HA VAL B 28 -13.153 1.910 -5.605 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.513 3.999 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.706 2.382 -8.953 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.928 1.635 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.634 1.285 -7.903 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.324 4.114 -8.747 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.339 3.071 -7.722 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.874 4.693 -7.156 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.487 3.235 -4.263 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.305 2.855 -3.497 1.00 0.00 C ATOM 1305 C LEU B 29 -9.674 1.949 -2.306 1.00 0.00 C ATOM 1306 O LEU B 29 -8.938 1.008 -2.018 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.536 4.119 -3.089 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.907 4.855 -4.290 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.818 5.949 -4.853 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.582 5.504 -3.901 1.00 0.00 C ATOM 0 H LEU B 29 -10.714 4.228 -4.215 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.641 2.254 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.212 4.797 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.750 3.848 -2.384 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.753 4.094 -5.055 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.326 6.434 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.756 5.505 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -9.022 6.688 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -6.160 6.016 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.751 6.224 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.888 4.737 -3.559 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.872 2.117 -1.728 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.484 1.181 -0.770 1.00 0.00 C ATOM 1324 C ALA B 30 -11.970 -0.151 -1.405 1.00 0.00 C ATOM 1325 O ALA B 30 -12.657 -0.939 -0.754 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.600 1.907 -0.003 1.00 0.00 C ATOM 0 H ALA B 30 -11.459 2.929 -1.918 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.707 0.869 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.058 1.220 0.709 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.179 2.758 0.533 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.355 2.259 -0.706 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.583 -0.426 -2.660 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.648 -1.725 -3.337 1.00 0.00 C ATOM 1334 C LYS B 31 -10.247 -2.183 -3.740 1.00 0.00 C ATOM 1335 O LYS B 31 -9.854 -3.297 -3.413 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.564 -1.673 -4.579 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.939 -1.023 -4.358 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.708 -0.936 -5.685 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.025 -0.176 -5.479 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.777 -0.023 -6.753 1.00 0.00 N ATOM 0 H LYS B 31 -11.193 0.298 -3.263 1.00 0.00 H new ATOM 0 HA LYS B 31 -12.074 -2.442 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.046 -1.128 -5.369 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.716 -2.690 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.512 -1.605 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.814 -0.026 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.100 -0.430 -6.435 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.912 -1.938 -6.063 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.642 -0.707 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -15.816 0.808 -5.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.661 0.495 -6.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.198 0.505 -7.437 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.999 -0.962 -7.140 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.466 -1.298 -4.369 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.102 -1.595 -4.843 1.00 0.00 C ATOM 1356 C ILE B 32 -7.187 -1.949 -3.668 1.00 0.00 C ATOM 1357 O ILE B 32 -6.810 -3.110 -3.519 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.519 -0.440 -5.689 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.362 -0.089 -6.936 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.112 -0.838 -6.159 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -8.036 1.314 -7.473 1.00 0.00 C ATOM 0 H ILE B 32 -9.763 -0.343 -4.568 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.162 -2.463 -5.499 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.512 0.442 -5.049 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.180 -0.828 -7.717 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.421 -0.144 -6.685 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.687 -0.032 -6.758 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.477 -1.020 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.172 -1.745 -6.761 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.651 1.520 -8.349 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.243 2.056 -6.702 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.983 1.362 -7.749 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.859 -0.983 -2.803 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.968 -1.237 -1.665 1.00 0.00 C ATOM 1375 C LEU B 33 -6.620 -2.156 -0.631 1.00 0.00 C ATOM 1376 O LEU B 33 -5.919 -2.895 0.059 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.388 0.073 -1.098 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.200 0.808 -0.014 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.917 0.301 1.406 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.862 2.299 -0.013 1.00 0.00 C ATOM 0 H LEU B 33 -7.195 -0.022 -2.868 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.101 -1.794 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.403 -0.147 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.240 0.761 -1.930 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.244 0.620 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.521 0.861 2.120 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.167 -0.758 1.471 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.861 0.439 1.638 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.444 2.803 0.758 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.799 2.431 0.190 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.102 2.727 -0.986 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.957 -2.164 -0.568 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.679 -3.112 0.278 1.00 0.00 C ATOM 1394 C GLU B 34 -8.436 -4.571 -0.154 1.00 0.00 C ATOM 1395 O GLU B 34 -8.308 -5.449 0.703 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.173 -2.762 0.358 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.869 -3.563 1.469 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.274 -3.021 1.804 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.375 -2.007 2.540 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -13.285 -3.645 1.397 1.00 0.00 O ATOM 0 H GLU B 34 -8.556 -1.526 -1.092 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.278 -3.024 1.288 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.290 -1.695 0.547 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.651 -2.971 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.950 -4.606 1.163 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.252 -3.542 2.367 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.285 -4.845 -1.457 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.887 -6.164 -1.937 1.00 0.00 C ATOM 1409 C ASP B 35 -6.383 -6.435 -1.854 1.00 0.00 C ATOM 1410 O ASP B 35 -6.002 -7.531 -1.445 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.376 -6.377 -3.367 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.900 -6.427 -3.553 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.625 -6.878 -2.629 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -10.355 -6.068 -4.665 1.00 0.00 O ATOM 0 H ASP B 35 -8.435 -4.161 -2.198 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.361 -6.878 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.979 -5.575 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.953 -7.310 -3.740 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.509 -5.466 -2.148 1.00 0.00 N ATOM 1420 CA GLU B 36 -4.062 -5.643 -1.973 1.00 0.00 C ATOM 1421 C GLU B 36 -3.672 -5.998 -0.525 1.00 0.00 C ATOM 1422 O GLU B 36 -2.672 -6.682 -0.308 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.314 -4.371 -2.389 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.512 -3.905 -3.834 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.906 -4.806 -4.903 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.397 -5.926 -4.650 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -2.941 -4.443 -6.103 1.00 0.00 O ATOM 0 H GLU B 36 -5.778 -4.551 -2.508 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.778 -6.480 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.620 -3.563 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.249 -4.533 -2.225 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.581 -3.813 -4.024 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -3.083 -2.908 -3.938 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.488 -5.599 0.459 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.287 -5.948 1.874 1.00 0.00 C ATOM 1436 C GLU B 37 -4.412 -7.467 2.100 1.00 0.00 C ATOM 1437 O GLU B 37 -3.712 -8.046 2.935 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.312 -5.192 2.741 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.934 -5.181 4.228 1.00 0.00 C ATOM 1440 CD GLU B 37 -6.075 -4.607 5.092 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.206 -3.363 5.193 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -6.840 -5.399 5.695 1.00 0.00 O ATOM 0 H GLU B 37 -5.312 -5.021 0.296 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.278 -5.653 2.162 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.397 -4.166 2.384 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.293 -5.653 2.623 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.703 -6.195 4.554 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.032 -4.586 4.372 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.282 -8.116 1.316 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.515 -9.564 1.314 1.00 0.00 C ATOM 1451 C LYS B 38 -4.521 -10.284 0.420 1.00 0.00 C ATOM 1452 O LYS B 38 -3.981 -11.297 0.844 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.945 -9.875 0.839 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.000 -9.189 1.716 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.446 -9.422 1.259 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.685 -8.663 -0.047 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.114 -8.549 -0.422 1.00 0.00 N ATOM 0 H LYS B 38 -5.866 -7.626 0.639 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.383 -9.919 2.336 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.064 -9.549 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.106 -10.953 0.853 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.893 -9.546 2.740 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.803 -8.117 1.730 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.628 -10.487 1.114 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -10.142 -9.081 2.025 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.262 -7.662 0.043 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.147 -9.165 -0.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.207 -7.925 -1.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.488 -9.491 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.651 -8.151 0.375 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.248 -9.765 -0.780 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.481 -10.399 -1.848 1.00 0.00 C ATOM 1473 C HIS B 39 -2.154 -11.024 -1.400 1.00 0.00 C ATOM 1474 O HIS B 39 -1.897 -12.185 -1.715 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.244 -9.320 -2.903 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.382 -9.021 -3.838 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.239 -8.268 -5.005 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.675 -9.444 -3.725 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.458 -8.252 -5.571 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.330 -8.962 -4.833 1.00 0.00 N ATOM 0 H HIS B 39 -4.577 -8.836 -1.044 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.052 -11.244 -2.232 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.975 -8.397 -2.390 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.382 -9.614 -3.501 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.390 -7.824 -5.354 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.097 -10.037 -2.927 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.703 -7.740 -6.490 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.336 -10.286 -0.642 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.028 -10.775 -0.167 1.00 0.00 C ATOM 1490 C ILE B 40 -0.187 -12.003 0.740 1.00 0.00 C ATOM 1491 O ILE B 40 0.487 -13.012 0.541 1.00 0.00 O ATOM 1492 CB ILE B 40 0.755 -9.654 0.555 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.960 -8.450 -0.388 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.121 -10.174 1.033 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.715 -7.276 0.248 1.00 0.00 C ATOM 0 H ILE B 40 -1.556 -9.337 -0.339 1.00 0.00 H new ATOM 0 HA ILE B 40 0.547 -11.080 -1.041 1.00 0.00 H new ATOM 0 HB ILE B 40 0.174 -9.335 1.421 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.506 -8.783 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -0.014 -8.099 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.659 -9.372 1.539 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.973 -11.004 1.724 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.701 -10.515 0.175 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.817 -6.472 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.161 -6.913 1.114 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.704 -7.608 0.563 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.102 -11.946 1.710 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.409 -13.086 2.582 1.00 0.00 C ATOM 1509 C GLU B 41 -2.101 -14.212 1.806 1.00 0.00 C ATOM 1510 O GLU B 41 -1.771 -15.382 1.980 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.268 -12.635 3.775 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.539 -11.681 4.737 1.00 0.00 C ATOM 1513 CD GLU B 41 -0.463 -12.402 5.573 1.00 0.00 C ATOM 1514 OE1 GLU B 41 0.707 -12.490 5.123 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -0.772 -12.866 6.696 1.00 0.00 O ATOM 0 H GLU B 41 -1.651 -11.111 1.914 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.467 -13.480 2.964 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.165 -12.143 3.400 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.595 -13.515 4.329 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.074 -10.878 4.165 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -2.265 -11.218 5.405 1.00 0.00 H new ATOM 1522 N TRP B 42 -2.998 -13.880 0.880 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.681 -14.821 -0.005 1.00 0.00 C ATOM 1524 C TRP B 42 -2.738 -15.711 -0.826 1.00 0.00 C ATOM 1525 O TRP B 42 -3.048 -16.891 -0.986 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.658 -14.028 -0.892 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.022 -13.760 -0.342 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.477 -14.099 0.886 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.135 -13.097 -1.014 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.814 -13.764 0.988 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.276 -13.150 -0.160 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.289 -12.444 -2.256 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.518 -12.622 -0.543 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.516 -11.865 -2.632 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.636 -11.971 -1.786 1.00 0.00 C ATOM 0 H TRP B 42 -3.279 -12.913 0.720 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.229 -15.531 0.614 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.196 -13.070 -1.129 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.774 -14.568 -1.832 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.888 -14.560 1.665 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.389 -13.948 1.810 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.448 -12.387 -2.932 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.374 -12.714 0.109 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.598 -11.338 -3.571 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.585 -11.554 -2.090 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.574 -15.220 -1.281 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.581 -16.075 -1.954 1.00 0.00 C ATOM 1548 C LEU B 43 0.429 -16.772 -1.011 1.00 0.00 C ATOM 1549 O LEU B 43 1.276 -17.526 -1.488 1.00 0.00 O ATOM 1550 CB LEU B 43 0.053 -15.349 -3.149 1.00 0.00 C ATOM 1551 CG LEU B 43 1.184 -14.379 -2.782 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.543 -14.905 -3.239 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.981 -13.035 -3.471 1.00 0.00 C ATOM 0 H LEU B 43 -1.298 -14.242 -1.196 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.132 -16.924 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.442 -16.093 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.725 -14.796 -3.676 1.00 0.00 H new ATOM 0 HG LEU B 43 1.163 -14.275 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.320 -14.193 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.742 -15.864 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.538 -15.035 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.793 -12.360 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.974 -13.177 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.030 -12.605 -3.156 1.00 0.00 H new ATOM 1565 N GLU B 44 0.340 -16.572 0.311 1.00 0.00 N ATOM 1566 CA GLU B 44 1.337 -17.048 1.291 1.00 0.00 C ATOM 1567 C GLU B 44 0.741 -17.951 2.388 1.00 0.00 C ATOM 1568 O GLU B 44 1.377 -18.936 2.763 1.00 0.00 O ATOM 1569 CB GLU B 44 2.078 -15.836 1.890 1.00 0.00 C ATOM 1570 CG GLU B 44 3.534 -16.109 2.304 1.00 0.00 C ATOM 1571 CD GLU B 44 3.706 -17.010 3.545 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.108 -16.712 4.609 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.501 -17.979 3.486 1.00 0.00 O ATOM 0 H GLU B 44 -0.436 -16.068 0.740 1.00 0.00 H new ATOM 0 HA GLU B 44 2.045 -17.684 0.759 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.068 -15.026 1.161 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.527 -15.486 2.763 1.00 0.00 H new ATOM 0 HG2 GLU B 44 4.053 -16.571 1.464 1.00 0.00 H new ATOM 0 HG3 GLU B 44 4.025 -15.155 2.496 1.00 0.00 H new ATOM 1580 N THR B 45 -0.502 -17.713 2.833 1.00 0.00 N ATOM 1581 CA THR B 45 -1.219 -18.542 3.829 1.00 0.00 C ATOM 1582 C THR B 45 -1.280 -20.022 3.421 1.00 0.00 C ATOM 1583 O THR B 45 -1.226 -20.921 4.263 1.00 0.00 O ATOM 1584 CB THR B 45 -2.632 -17.956 4.030 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.521 -16.739 4.740 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.613 -18.824 4.815 1.00 0.00 C ATOM 0 H THR B 45 -1.055 -16.921 2.506 1.00 0.00 H new ATOM 0 HA THR B 45 -0.670 -18.514 4.770 1.00 0.00 H new ATOM 0 HB THR B 45 -3.033 -17.857 3.021 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.240 -16.027 4.128 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.571 -18.311 4.893 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.751 -19.774 4.299 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.218 -19.007 5.814 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.335 -20.275 2.112 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.401 -21.602 1.488 1.00 0.00 C ATOM 1596 C ILE B 46 -0.105 -22.419 1.644 1.00 0.00 C ATOM 1597 O ILE B 46 -0.147 -23.649 1.706 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.730 -21.403 -0.011 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.954 -20.489 -0.259 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.935 -22.744 -0.726 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -4.234 -20.910 0.483 1.00 0.00 C ATOM 0 H ILE B 46 -1.335 -19.524 1.422 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.175 -22.178 1.996 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.859 -20.898 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.697 -19.472 0.038 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -3.162 -20.466 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -2.164 -22.565 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -1.026 -23.340 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.761 -23.282 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -5.037 -20.211 0.248 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.523 -21.913 0.170 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -4.050 -20.904 1.557 1.00 0.00 H new