USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 980 hydrogens (31 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 NoAdj-H: A 46 HIS HE2 : A 46 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 117 HIS HE2 : A 117 HIS NE2 : A 125 HEB CAB :(H bumps) USER MOD NoAdj-H: A 125 HEBHAB2 : A 125 HEB CAB : A 117 HIS NE2 :(H bumps) USER MOD NoAdj-H: A 125 HEB H2D : A 125 HEB O2D : A 125 HEB CGD :(short bond) USER MOD NoAdj-H: A 125 HEB H2A : A 125 HEB O2A : A 125 HEB CGA :(short bond) USER MOD Set 1.1: A 80 THR OG1 : rot 123:sc= -2.82! USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.56 K(o=-3.4,f=-11!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 163:sc= -1.87 (180deg=-1.28) USER MOD Set 2.2: A 90 ASN : amide:sc= -1.01 K(o=-2.9,f=-8.4!) USER MOD Set 3.1: A 22 TYR OH : rot 180:sc= -0.376 USER MOD Set 3.2: A 40 MET CE :methyl -168:sc= -0.789 (180deg=-1.05) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0153) USER MOD Single : A 20 LYS NZ :NH3+ -121:sc= -1.14 (180deg=-5.72!) USER MOD Single : A 32 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.1) USER MOD Single : A 37 ASN : amide:sc=-0.00571 K(o=-0.0057,f=-1.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 47 GLN : amide:sc= -8.96! C(o=-9!,f=-16!) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -2.03 (180deg=-2.46) USER MOD Single : A 51 MET CE :methyl 180:sc= -0.0891 (180deg=-0.0891) USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.73 USER MOD Single : A 53 TYR OH : rot 30:sc= -0.719 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -77:sc= -0.611! USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.843 K(o=-0.84,f=-3.4!) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 94 THR OG1 : rot 71:sc= 1.08 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 99 ASN : amide:sc= -0.0453 X(o=-0.045,f=-0.088) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.57) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 90:sc= 0.164 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 119 ASN : amide:sc=-0.00577 K(o=-0.0058,f=-1.7!) USER MOD Single : A 123 ASN : amide:sc= -2.93! C(o=-2.9!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -11.578 4.805 5.765 1.00 0.00 N ATOM 2 CA ALA A 2 -10.370 3.975 6.037 1.00 0.00 C ATOM 3 C ALA A 2 -10.623 2.546 5.572 1.00 0.00 C ATOM 4 O ALA A 2 -9.901 1.624 5.950 1.00 0.00 O ATOM 5 CB ALA A 2 -10.071 3.989 7.537 1.00 0.00 C ATOM 0 HA ALA A 2 -9.515 4.382 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.188 3.382 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.889 5.013 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.923 3.581 8.082 1.00 0.00 H new ATOM 13 N SER A 3 -11.654 2.367 4.751 1.00 0.00 N ATOM 14 CA SER A 3 -11.988 1.039 4.247 1.00 0.00 C ATOM 15 C SER A 3 -11.930 1.009 2.723 1.00 0.00 C ATOM 16 O SER A 3 -12.340 1.958 2.056 1.00 0.00 O ATOM 17 CB SER A 3 -13.387 0.645 4.714 1.00 0.00 C ATOM 18 OG SER A 3 -13.442 0.705 6.133 1.00 0.00 O ATOM 0 H SER A 3 -12.266 3.115 4.424 1.00 0.00 H new ATOM 0 HA SER A 3 -11.259 0.329 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.130 1.315 4.281 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.627 -0.361 4.371 1.00 0.00 H new ATOM 0 HG SER A 3 -14.339 0.454 6.436 1.00 0.00 H new ATOM 24 N LEU A 4 -11.412 -0.089 2.184 1.00 0.00 N ATOM 25 CA LEU A 4 -11.293 -0.242 0.739 1.00 0.00 C ATOM 26 C LEU A 4 -12.663 -0.390 0.074 1.00 0.00 C ATOM 27 O LEU A 4 -12.883 0.125 -1.022 1.00 0.00 O ATOM 28 CB LEU A 4 -10.433 -1.467 0.416 1.00 0.00 C ATOM 29 CG LEU A 4 -10.184 -1.536 -1.094 1.00 0.00 C ATOM 30 CD1 LEU A 4 -9.304 -0.361 -1.529 1.00 0.00 C ATOM 31 CD2 LEU A 4 -9.479 -2.850 -1.432 1.00 0.00 C ATOM 0 H LEU A 4 -11.069 -0.884 2.724 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.821 0.658 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.484 -1.408 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.933 -2.375 0.754 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.138 -1.485 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.130 -0.415 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.805 0.577 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.350 -0.407 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.301 -2.901 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.527 -2.899 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.106 -3.688 -1.128 1.00 0.00 H new ATOM 43 N TYR A 5 -13.574 -1.108 0.727 1.00 0.00 N ATOM 44 CA TYR A 5 -14.904 -1.319 0.157 1.00 0.00 C ATOM 45 C TYR A 5 -15.697 -0.020 0.106 1.00 0.00 C ATOM 46 O TYR A 5 -16.668 0.089 -0.640 1.00 0.00 O ATOM 47 CB TYR A 5 -15.685 -2.357 0.964 1.00 0.00 C ATOM 48 CG TYR A 5 -16.238 -1.722 2.217 1.00 0.00 C ATOM 49 CD1 TYR A 5 -17.501 -1.118 2.196 1.00 0.00 C ATOM 50 CD2 TYR A 5 -15.493 -1.744 3.400 1.00 0.00 C ATOM 51 CE1 TYR A 5 -18.019 -0.534 3.357 1.00 0.00 C ATOM 52 CE2 TYR A 5 -16.011 -1.161 4.563 1.00 0.00 C ATOM 53 CZ TYR A 5 -17.273 -0.555 4.541 1.00 0.00 C ATOM 54 OH TYR A 5 -17.782 0.020 5.689 1.00 0.00 O ATOM 0 H TYR A 5 -13.421 -1.547 1.635 1.00 0.00 H new ATOM 0 HA TYR A 5 -14.764 -1.685 -0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -16.498 -2.762 0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -15.035 -3.192 1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -18.076 -1.103 1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -14.519 -2.210 3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -18.993 -0.068 3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -15.437 -1.179 5.477 1.00 0.00 H new ATOM 0 HH TYR A 5 -17.137 -0.083 6.420 1.00 0.00 H new ATOM 64 N GLU A 6 -15.293 0.961 0.902 1.00 0.00 N ATOM 65 CA GLU A 6 -16.000 2.236 0.918 1.00 0.00 C ATOM 66 C GLU A 6 -16.050 2.830 -0.486 1.00 0.00 C ATOM 67 O GLU A 6 -17.070 3.381 -0.900 1.00 0.00 O ATOM 68 CB GLU A 6 -15.300 3.212 1.865 1.00 0.00 C ATOM 69 CG GLU A 6 -16.129 4.494 1.983 1.00 0.00 C ATOM 70 CD GLU A 6 -17.441 4.203 2.704 1.00 0.00 C ATOM 71 OE1 GLU A 6 -17.478 3.245 3.458 1.00 0.00 O ATOM 72 OE2 GLU A 6 -18.387 4.943 2.490 1.00 0.00 O ATOM 0 H GLU A 6 -14.495 0.902 1.534 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.018 2.065 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.175 2.756 2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.302 3.445 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.566 5.252 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.332 4.898 0.991 1.00 0.00 H new ATOM 79 N LYS A 7 -14.945 2.710 -1.215 1.00 0.00 N ATOM 80 CA LYS A 7 -14.879 3.236 -2.574 1.00 0.00 C ATOM 81 C LYS A 7 -15.687 2.368 -3.538 1.00 0.00 C ATOM 82 O LYS A 7 -16.532 2.869 -4.278 1.00 0.00 O ATOM 83 CB LYS A 7 -13.422 3.295 -3.039 1.00 0.00 C ATOM 84 CG LYS A 7 -12.653 4.302 -2.181 1.00 0.00 C ATOM 85 CD LYS A 7 -11.231 4.452 -2.725 1.00 0.00 C ATOM 86 CE LYS A 7 -10.424 5.366 -1.800 1.00 0.00 C ATOM 87 NZ LYS A 7 -9.970 4.593 -0.610 1.00 0.00 N ATOM 0 H LYS A 7 -14.090 2.257 -0.891 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.305 4.239 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.964 2.309 -2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.376 3.585 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.161 5.266 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.624 3.966 -1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.753 3.475 -2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.258 4.868 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.564 5.772 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.034 6.213 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.038 5.190 0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.572 3.753 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.983 4.295 -0.746 1.00 0.00 H new ATOM 101 N LEU A 8 -15.413 1.065 -3.526 1.00 0.00 N ATOM 102 CA LEU A 8 -16.114 0.137 -4.410 1.00 0.00 C ATOM 103 C LEU A 8 -17.601 0.087 -4.078 1.00 0.00 C ATOM 104 O LEU A 8 -18.443 -0.027 -4.970 1.00 0.00 O ATOM 105 CB LEU A 8 -15.514 -1.265 -4.275 1.00 0.00 C ATOM 106 CG LEU A 8 -14.016 -1.219 -4.589 1.00 0.00 C ATOM 107 CD1 LEU A 8 -13.435 -2.633 -4.516 1.00 0.00 C ATOM 108 CD2 LEU A 8 -13.805 -0.659 -5.998 1.00 0.00 C ATOM 0 H LEU A 8 -14.717 0.631 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.997 0.489 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.672 -1.643 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.017 -1.953 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.515 -0.579 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.369 -2.600 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.584 -3.036 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.938 -3.271 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.738 -0.627 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.308 -1.299 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.218 0.348 -6.055 1.00 0.00 H new ATOM 120 N GLY A 9 -17.920 0.175 -2.793 1.00 0.00 N ATOM 121 CA GLY A 9 -19.311 0.138 -2.357 1.00 0.00 C ATOM 122 C GLY A 9 -19.786 -1.295 -2.135 1.00 0.00 C ATOM 123 O GLY A 9 -20.983 -1.544 -1.996 1.00 0.00 O ATOM 0 H GLY A 9 -17.240 0.272 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -19.420 0.706 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -19.941 0.620 -3.104 1.00 0.00 H new ATOM 127 N GLY A 10 -18.846 -2.236 -2.103 1.00 0.00 N ATOM 128 CA GLY A 10 -19.195 -3.639 -1.898 1.00 0.00 C ATOM 129 C GLY A 10 -18.095 -4.378 -1.141 1.00 0.00 C ATOM 130 O GLY A 10 -17.005 -4.599 -1.668 1.00 0.00 O ATOM 0 H GLY A 10 -17.848 -2.056 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.130 -3.706 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -19.362 -4.119 -2.862 1.00 0.00 H new ATOM 134 N ALA A 11 -18.391 -4.761 0.098 1.00 0.00 N ATOM 135 CA ALA A 11 -17.423 -5.478 0.923 1.00 0.00 C ATOM 136 C ALA A 11 -17.139 -6.862 0.349 1.00 0.00 C ATOM 137 O ALA A 11 -16.011 -7.349 0.406 1.00 0.00 O ATOM 138 CB ALA A 11 -17.955 -5.616 2.350 1.00 0.00 C ATOM 0 H ALA A 11 -19.288 -4.588 0.551 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.494 -4.907 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -17.227 -6.152 2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -18.123 -4.626 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.894 -6.169 2.336 1.00 0.00 H new ATOM 144 N ALA A 12 -18.172 -7.494 -0.201 1.00 0.00 N ATOM 145 CA ALA A 12 -18.019 -8.825 -0.775 1.00 0.00 C ATOM 146 C ALA A 12 -17.054 -8.798 -1.958 1.00 0.00 C ATOM 147 O ALA A 12 -16.261 -9.720 -2.143 1.00 0.00 O ATOM 148 CB ALA A 12 -19.379 -9.350 -1.238 1.00 0.00 C ATOM 0 H ALA A 12 -19.115 -7.110 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.613 -9.484 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.258 -10.345 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -20.058 -9.401 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.791 -8.678 -1.991 1.00 0.00 H new ATOM 154 N ALA A 13 -17.128 -7.736 -2.754 1.00 0.00 N ATOM 155 CA ALA A 13 -16.256 -7.605 -3.914 1.00 0.00 C ATOM 156 C ALA A 13 -14.798 -7.477 -3.485 1.00 0.00 C ATOM 157 O ALA A 13 -13.902 -8.024 -4.127 1.00 0.00 O ATOM 158 CB ALA A 13 -16.658 -6.377 -4.733 1.00 0.00 C ATOM 0 H ALA A 13 -17.777 -6.961 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.363 -8.502 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.001 -6.286 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.689 -6.486 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.570 -5.483 -4.115 1.00 0.00 H new ATOM 164 N VAL A 14 -14.565 -6.749 -2.397 1.00 0.00 N ATOM 165 CA VAL A 14 -13.208 -6.555 -1.895 1.00 0.00 C ATOM 166 C VAL A 14 -12.600 -7.882 -1.456 1.00 0.00 C ATOM 167 O VAL A 14 -11.443 -8.176 -1.759 1.00 0.00 O ATOM 168 CB VAL A 14 -13.222 -5.585 -0.714 1.00 0.00 C ATOM 169 CG1 VAL A 14 -11.835 -5.541 -0.072 1.00 0.00 C ATOM 170 CG2 VAL A 14 -13.598 -4.186 -1.207 1.00 0.00 C ATOM 0 H VAL A 14 -15.291 -6.287 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.602 -6.141 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.953 -5.921 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.846 -4.849 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.565 -6.537 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.104 -5.206 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.608 -3.494 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.867 -3.851 -1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.587 -4.215 -1.665 1.00 0.00 H new ATOM 180 N ASP A 15 -13.384 -8.679 -0.738 1.00 0.00 N ATOM 181 CA ASP A 15 -12.907 -9.972 -0.259 1.00 0.00 C ATOM 182 C ASP A 15 -12.517 -10.872 -1.427 1.00 0.00 C ATOM 183 O ASP A 15 -11.508 -11.574 -1.371 1.00 0.00 O ATOM 184 CB ASP A 15 -13.995 -10.654 0.572 1.00 0.00 C ATOM 185 CG ASP A 15 -14.242 -9.868 1.854 1.00 0.00 C ATOM 186 OD1 ASP A 15 -13.436 -9.005 2.160 1.00 0.00 O ATOM 187 OD2 ASP A 15 -15.233 -10.139 2.511 1.00 0.00 O ATOM 0 H ASP A 15 -14.344 -8.456 -0.476 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.026 -9.803 0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.917 -10.722 -0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.694 -11.674 0.813 1.00 0.00 H new ATOM 192 N LEU A 16 -13.324 -10.847 -2.483 1.00 0.00 N ATOM 193 CA LEU A 16 -13.048 -11.669 -3.656 1.00 0.00 C ATOM 194 C LEU A 16 -11.726 -11.261 -4.298 1.00 0.00 C ATOM 195 O LEU A 16 -10.941 -12.110 -4.715 1.00 0.00 O ATOM 196 CB LEU A 16 -14.183 -11.521 -4.674 1.00 0.00 C ATOM 197 CG LEU A 16 -13.954 -12.483 -5.844 1.00 0.00 C ATOM 198 CD1 LEU A 16 -14.116 -13.928 -5.368 1.00 0.00 C ATOM 199 CD2 LEU A 16 -14.979 -12.194 -6.943 1.00 0.00 C ATOM 0 H LEU A 16 -14.165 -10.274 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.977 -12.710 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.141 -11.732 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.227 -10.494 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.945 -12.344 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.952 -14.607 -6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.389 -14.136 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.123 -14.071 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.820 -12.877 -7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.985 -12.333 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.863 -11.166 -7.287 1.00 0.00 H new ATOM 211 N ALA A 17 -11.488 -9.957 -4.375 1.00 0.00 N ATOM 212 CA ALA A 17 -10.256 -9.451 -4.970 1.00 0.00 C ATOM 213 C ALA A 17 -9.055 -9.787 -4.092 1.00 0.00 C ATOM 214 O ALA A 17 -8.008 -10.204 -4.588 1.00 0.00 O ATOM 215 CB ALA A 17 -10.350 -7.935 -5.150 1.00 0.00 C ATOM 0 H ALA A 17 -12.125 -9.236 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.123 -9.927 -5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.427 -7.563 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.189 -7.698 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.501 -7.462 -4.180 1.00 0.00 H new ATOM 221 N VAL A 18 -9.213 -9.598 -2.787 1.00 0.00 N ATOM 222 CA VAL A 18 -8.134 -9.880 -1.847 1.00 0.00 C ATOM 223 C VAL A 18 -7.819 -11.372 -1.804 1.00 0.00 C ATOM 224 O VAL A 18 -6.655 -11.769 -1.757 1.00 0.00 O ATOM 225 CB VAL A 18 -8.523 -9.399 -0.449 1.00 0.00 C ATOM 226 CG1 VAL A 18 -7.467 -9.853 0.561 1.00 0.00 C ATOM 227 CG2 VAL A 18 -8.610 -7.871 -0.442 1.00 0.00 C ATOM 0 H VAL A 18 -10.072 -9.253 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.244 -9.349 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.490 -9.821 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.745 -9.510 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.404 -10.941 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.499 -9.432 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.887 -7.527 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.642 -7.450 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.363 -7.546 -1.161 1.00 0.00 H new ATOM 237 N GLU A 19 -8.863 -12.197 -1.808 1.00 0.00 N ATOM 238 CA GLU A 19 -8.675 -13.644 -1.757 1.00 0.00 C ATOM 239 C GLU A 19 -7.906 -14.136 -2.979 1.00 0.00 C ATOM 240 O GLU A 19 -6.958 -14.913 -2.854 1.00 0.00 O ATOM 241 CB GLU A 19 -10.033 -14.344 -1.692 1.00 0.00 C ATOM 242 CG GLU A 19 -9.824 -15.847 -1.499 1.00 0.00 C ATOM 243 CD GLU A 19 -11.167 -16.570 -1.532 1.00 0.00 C ATOM 244 OE1 GLU A 19 -12.171 -15.903 -1.721 1.00 0.00 O ATOM 245 OE2 GLU A 19 -11.171 -17.779 -1.367 1.00 0.00 O ATOM 0 H GLU A 19 -9.836 -11.893 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.098 -13.881 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.623 -13.940 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.594 -14.159 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.173 -16.235 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.325 -16.034 -0.548 1.00 0.00 H new ATOM 252 N LYS A 20 -8.315 -13.683 -4.160 1.00 0.00 N ATOM 253 CA LYS A 20 -7.647 -14.091 -5.390 1.00 0.00 C ATOM 254 C LYS A 20 -6.205 -13.595 -5.408 1.00 0.00 C ATOM 255 O LYS A 20 -5.292 -14.326 -5.791 1.00 0.00 O ATOM 256 CB LYS A 20 -8.397 -13.540 -6.603 1.00 0.00 C ATOM 257 CG LYS A 20 -9.765 -14.219 -6.704 1.00 0.00 C ATOM 258 CD LYS A 20 -10.529 -13.656 -7.905 1.00 0.00 C ATOM 259 CE LYS A 20 -9.805 -14.039 -9.199 1.00 0.00 C ATOM 260 NZ LYS A 20 -10.803 -14.465 -10.222 1.00 0.00 N ATOM 0 H LYS A 20 -9.097 -13.041 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.643 -15.180 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.520 -12.461 -6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.822 -13.718 -7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.641 -15.297 -6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.333 -14.054 -5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.547 -14.046 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.604 -12.571 -7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.228 -13.192 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.098 -14.846 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.600 -15.440 -10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.759 -14.419 -9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.747 -13.833 -11.046 1.00 0.00 H new ATOM 274 N PHE A 21 -6.007 -12.349 -4.988 1.00 0.00 N ATOM 275 CA PHE A 21 -4.669 -11.769 -4.958 1.00 0.00 C ATOM 276 C PHE A 21 -3.784 -12.524 -3.974 1.00 0.00 C ATOM 277 O PHE A 21 -2.630 -12.831 -4.270 1.00 0.00 O ATOM 278 CB PHE A 21 -4.744 -10.296 -4.551 1.00 0.00 C ATOM 279 CG PHE A 21 -3.363 -9.688 -4.617 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.885 -9.164 -5.823 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.561 -9.650 -3.470 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.604 -8.602 -5.883 1.00 0.00 C ATOM 283 CE2 PHE A 21 -1.281 -9.087 -3.530 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.803 -8.563 -4.736 1.00 0.00 C ATOM 0 H PHE A 21 -6.749 -11.727 -4.667 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.237 -11.847 -5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.422 -9.758 -5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.146 -10.206 -3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.504 -9.193 -6.708 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.930 -10.055 -2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.234 -8.199 -6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.662 -9.057 -2.645 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.185 -8.128 -4.782 1.00 0.00 H new ATOM 294 N TYR A 22 -4.334 -12.815 -2.799 1.00 0.00 N ATOM 295 CA TYR A 22 -3.587 -13.530 -1.773 1.00 0.00 C ATOM 296 C TYR A 22 -3.122 -14.888 -2.286 1.00 0.00 C ATOM 297 O TYR A 22 -1.984 -15.294 -2.050 1.00 0.00 O ATOM 298 CB TYR A 22 -4.459 -13.725 -0.533 1.00 0.00 C ATOM 299 CG TYR A 22 -3.652 -14.410 0.541 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.837 -13.657 1.393 1.00 0.00 C ATOM 301 CD2 TYR A 22 -3.716 -15.802 0.682 1.00 0.00 C ATOM 302 CE1 TYR A 22 -2.085 -14.295 2.387 1.00 0.00 C ATOM 303 CE2 TYR A 22 -2.965 -16.440 1.677 1.00 0.00 C ATOM 304 CZ TYR A 22 -2.149 -15.686 2.529 1.00 0.00 C ATOM 305 OH TYR A 22 -1.409 -16.314 3.506 1.00 0.00 O ATOM 0 H TYR A 22 -5.288 -12.568 -2.536 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.711 -12.936 -1.514 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.821 -12.762 -0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.336 -14.322 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.788 -12.584 1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.344 -16.383 0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.455 -13.714 3.044 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.015 -17.513 1.787 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.570 -17.280 3.468 1.00 0.00 H new ATOM 315 N GLY A 23 -4.007 -15.590 -2.986 1.00 0.00 N ATOM 316 CA GLY A 23 -3.667 -16.903 -3.520 1.00 0.00 C ATOM 317 C GLY A 23 -2.461 -16.814 -4.447 1.00 0.00 C ATOM 318 O GLY A 23 -1.550 -17.640 -4.379 1.00 0.00 O ATOM 0 H GLY A 23 -4.955 -15.276 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.452 -17.589 -2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.519 -17.312 -4.063 1.00 0.00 H new ATOM 322 N LYS A 24 -2.459 -15.805 -5.311 1.00 0.00 N ATOM 323 CA LYS A 24 -1.358 -15.615 -6.247 1.00 0.00 C ATOM 324 C LYS A 24 -0.055 -15.360 -5.492 1.00 0.00 C ATOM 325 O LYS A 24 1.001 -15.870 -5.866 1.00 0.00 O ATOM 326 CB LYS A 24 -1.662 -14.433 -7.175 1.00 0.00 C ATOM 327 CG LYS A 24 -0.581 -14.311 -8.257 1.00 0.00 C ATOM 328 CD LYS A 24 -0.825 -15.344 -9.361 1.00 0.00 C ATOM 329 CE LYS A 24 0.086 -15.041 -10.549 1.00 0.00 C ATOM 330 NZ LYS A 24 1.216 -14.178 -10.103 1.00 0.00 N ATOM 0 H LYS A 24 -3.202 -15.110 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.245 -16.521 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.638 -14.570 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.712 -13.511 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.590 -13.306 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.404 -14.463 -7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.629 -16.348 -8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.869 -15.319 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.469 -15.969 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.479 -14.541 -11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.975 -14.206 -10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.882 -13.199 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.580 -14.526 -9.193 1.00 0.00 H new ATOM 344 N VAL A 25 -0.139 -14.564 -4.430 1.00 0.00 N ATOM 345 CA VAL A 25 1.038 -14.245 -3.630 1.00 0.00 C ATOM 346 C VAL A 25 1.607 -15.503 -2.981 1.00 0.00 C ATOM 347 O VAL A 25 2.823 -15.692 -2.932 1.00 0.00 O ATOM 348 CB VAL A 25 0.672 -13.232 -2.544 1.00 0.00 C ATOM 349 CG1 VAL A 25 1.867 -13.029 -1.611 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.302 -11.899 -3.198 1.00 0.00 C ATOM 0 H VAL A 25 -1.004 -14.131 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 25 1.794 -13.817 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.176 -13.604 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.606 -12.307 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.132 -13.979 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.716 -12.656 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.041 -11.175 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.151 -11.527 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.550 -12.044 -3.863 1.00 0.00 H new ATOM 360 N LEU A 26 0.722 -16.358 -2.483 1.00 0.00 N ATOM 361 CA LEU A 26 1.147 -17.594 -1.837 1.00 0.00 C ATOM 362 C LEU A 26 1.974 -18.442 -2.798 1.00 0.00 C ATOM 363 O LEU A 26 2.939 -19.090 -2.395 1.00 0.00 O ATOM 364 CB LEU A 26 -0.078 -18.387 -1.373 1.00 0.00 C ATOM 365 CG LEU A 26 0.373 -19.620 -0.583 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.006 -19.186 0.741 1.00 0.00 C ATOM 367 CD2 LEU A 26 -0.839 -20.511 -0.298 1.00 0.00 C ATOM 0 H LEU A 26 -0.288 -16.220 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 26 1.763 -17.341 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.716 -17.758 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.673 -18.692 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 26 1.108 -20.173 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.325 -20.067 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.869 -18.551 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.275 -18.630 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.521 -21.389 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.572 -19.953 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.288 -20.826 -1.240 1.00 0.00 H new ATOM 379 N ALA A 27 1.586 -18.432 -4.069 1.00 0.00 N ATOM 380 CA ALA A 27 2.297 -19.207 -5.079 1.00 0.00 C ATOM 381 C ALA A 27 3.740 -18.729 -5.213 1.00 0.00 C ATOM 382 O ALA A 27 4.647 -19.528 -5.449 1.00 0.00 O ATOM 383 CB ALA A 27 1.588 -19.078 -6.428 1.00 0.00 C ATOM 0 H ALA A 27 0.790 -17.901 -4.422 1.00 0.00 H new ATOM 0 HA ALA A 27 2.303 -20.251 -4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.124 -19.659 -7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.568 -19.452 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.566 -18.031 -6.729 1.00 0.00 H new ATOM 389 N ASP A 28 3.948 -17.424 -5.061 1.00 0.00 N ATOM 390 CA ASP A 28 5.290 -16.861 -5.171 1.00 0.00 C ATOM 391 C ASP A 28 6.041 -16.991 -3.849 1.00 0.00 C ATOM 392 O ASP A 28 5.846 -16.196 -2.929 1.00 0.00 O ATOM 393 CB ASP A 28 5.202 -15.387 -5.571 1.00 0.00 C ATOM 394 CG ASP A 28 6.601 -14.820 -5.780 1.00 0.00 C ATOM 395 OD1 ASP A 28 7.545 -15.590 -5.727 1.00 0.00 O ATOM 396 OD2 ASP A 28 6.709 -13.622 -5.990 1.00 0.00 O ATOM 0 H ASP A 28 3.214 -16.744 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 28 5.835 -17.415 -5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.618 -15.284 -6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.683 -14.822 -4.797 1.00 0.00 H new ATOM 401 N GLU A 29 6.903 -17.997 -3.764 1.00 0.00 N ATOM 402 CA GLU A 29 7.686 -18.228 -2.556 1.00 0.00 C ATOM 403 C GLU A 29 8.791 -17.183 -2.410 1.00 0.00 C ATOM 404 O GLU A 29 9.239 -16.892 -1.301 1.00 0.00 O ATOM 405 CB GLU A 29 8.307 -19.625 -2.596 1.00 0.00 C ATOM 406 CG GLU A 29 7.196 -20.678 -2.578 1.00 0.00 C ATOM 407 CD GLU A 29 7.802 -22.076 -2.544 1.00 0.00 C ATOM 408 OE1 GLU A 29 9.009 -22.180 -2.689 1.00 0.00 O ATOM 409 OE2 GLU A 29 7.051 -23.022 -2.373 1.00 0.00 O ATOM 0 H GLU A 29 7.077 -18.665 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 29 7.017 -18.148 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.916 -19.738 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.969 -19.765 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.557 -20.529 -1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.565 -20.568 -3.460 1.00 0.00 H new ATOM 416 N ARG A 30 9.242 -16.642 -3.537 1.00 0.00 N ATOM 417 CA ARG A 30 10.315 -15.652 -3.524 1.00 0.00 C ATOM 418 C ARG A 30 9.980 -14.473 -2.613 1.00 0.00 C ATOM 419 O ARG A 30 10.841 -13.986 -1.880 1.00 0.00 O ATOM 420 CB ARG A 30 10.564 -15.140 -4.944 1.00 0.00 C ATOM 421 CG ARG A 30 11.055 -16.291 -5.825 1.00 0.00 C ATOM 422 CD ARG A 30 11.415 -15.756 -7.211 1.00 0.00 C ATOM 423 NE ARG A 30 10.268 -15.075 -7.803 1.00 0.00 N ATOM 424 CZ ARG A 30 10.139 -14.967 -9.121 1.00 0.00 C ATOM 425 NH1 ARG A 30 11.045 -15.476 -9.909 1.00 0.00 N ATOM 426 NH2 ARG A 30 9.105 -14.352 -9.627 1.00 0.00 N ATOM 0 H ARG A 30 8.885 -16.870 -4.465 1.00 0.00 H new ATOM 0 HA ARG A 30 11.211 -16.137 -3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.647 -14.719 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.303 -14.339 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.924 -16.766 -5.370 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.282 -17.055 -5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.257 -15.067 -7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.732 -16.577 -7.855 1.00 0.00 H new ATOM 0 HE ARG A 30 9.553 -14.675 -7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.853 -15.957 -9.514 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.946 -15.393 -10.921 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.396 -13.954 -9.011 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.006 -14.269 -10.639 1.00 0.00 H new ATOM 440 N VAL A 31 8.734 -14.013 -2.658 1.00 0.00 N ATOM 441 CA VAL A 31 8.324 -12.887 -1.823 1.00 0.00 C ATOM 442 C VAL A 31 8.061 -13.340 -0.390 1.00 0.00 C ATOM 443 O VAL A 31 8.251 -12.577 0.557 1.00 0.00 O ATOM 444 CB VAL A 31 7.067 -12.232 -2.399 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.377 -11.671 -3.789 1.00 0.00 C ATOM 446 CG2 VAL A 31 5.953 -13.272 -2.513 1.00 0.00 C ATOM 0 H VAL A 31 7.999 -14.395 -3.254 1.00 0.00 H new ATOM 0 HA VAL A 31 9.135 -12.159 -1.813 1.00 0.00 H new ATOM 0 HB VAL A 31 6.746 -11.425 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.482 -11.204 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.172 -10.929 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.698 -12.480 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.058 -12.804 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.275 -14.079 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.730 -13.676 -1.526 1.00 0.00 H new ATOM 456 N ASN A 32 7.623 -14.585 -0.241 1.00 0.00 N ATOM 457 CA ASN A 32 7.332 -15.136 1.078 1.00 0.00 C ATOM 458 C ASN A 32 8.560 -15.072 1.983 1.00 0.00 C ATOM 459 O ASN A 32 8.437 -14.928 3.200 1.00 0.00 O ATOM 460 CB ASN A 32 6.875 -16.590 0.946 1.00 0.00 C ATOM 461 CG ASN A 32 5.553 -16.653 0.187 1.00 0.00 C ATOM 462 OD1 ASN A 32 4.862 -15.643 0.055 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.160 -17.789 -0.323 1.00 0.00 N ATOM 0 H ASN A 32 7.462 -15.230 -1.014 1.00 0.00 H new ATOM 0 HA ASN A 32 6.538 -14.538 1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.633 -17.172 0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.758 -17.035 1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.278 -17.841 -0.833 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.735 -18.624 -0.212 1.00 0.00 H new ATOM 470 N ARG A 33 9.741 -15.195 1.387 1.00 0.00 N ATOM 471 CA ARG A 33 10.982 -15.166 2.156 1.00 0.00 C ATOM 472 C ARG A 33 11.070 -13.906 3.015 1.00 0.00 C ATOM 473 O ARG A 33 11.528 -13.955 4.157 1.00 0.00 O ATOM 474 CB ARG A 33 12.180 -15.219 1.207 1.00 0.00 C ATOM 475 CG ARG A 33 12.176 -16.550 0.454 1.00 0.00 C ATOM 476 CD ARG A 33 13.406 -16.631 -0.451 1.00 0.00 C ATOM 477 NE ARG A 33 14.615 -16.769 0.353 1.00 0.00 N ATOM 478 CZ ARG A 33 14.997 -17.953 0.820 1.00 0.00 C ATOM 479 NH1 ARG A 33 14.282 -19.015 0.565 1.00 0.00 N ATOM 480 NH2 ARG A 33 16.084 -18.053 1.535 1.00 0.00 N ATOM 0 H ARG A 33 9.866 -15.315 0.382 1.00 0.00 H new ATOM 0 HA ARG A 33 10.992 -16.034 2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.135 -14.390 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.108 -15.110 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.177 -17.379 1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.267 -16.640 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.313 -17.480 -1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.472 -15.735 -1.069 1.00 0.00 H new ATOM 0 HE ARG A 33 15.177 -15.943 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.431 -18.935 0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.574 -19.924 0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.641 -17.222 1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.377 -18.962 1.893 1.00 0.00 H new ATOM 494 N PHE A 34 10.635 -12.780 2.461 1.00 0.00 N ATOM 495 CA PHE A 34 10.676 -11.515 3.190 1.00 0.00 C ATOM 496 C PHE A 34 9.703 -11.521 4.365 1.00 0.00 C ATOM 497 O PHE A 34 9.945 -10.875 5.386 1.00 0.00 O ATOM 498 CB PHE A 34 10.339 -10.358 2.249 1.00 0.00 C ATOM 499 CG PHE A 34 11.468 -10.169 1.265 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.552 -9.347 1.596 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.432 -10.817 0.026 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.600 -9.173 0.684 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.481 -10.643 -0.885 1.00 0.00 C ATOM 504 CZ PHE A 34 13.565 -9.820 -0.556 1.00 0.00 C ATOM 0 H PHE A 34 10.253 -12.715 1.518 1.00 0.00 H new ATOM 0 HA PHE A 34 11.685 -11.386 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.410 -10.565 1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.183 -9.443 2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.580 -8.848 2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.596 -11.451 -0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.436 -8.539 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.454 -11.144 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.374 -9.685 -1.259 1.00 0.00 H new ATOM 514 N PHE A 35 8.597 -12.242 4.215 1.00 0.00 N ATOM 515 CA PHE A 35 7.591 -12.307 5.271 1.00 0.00 C ATOM 516 C PHE A 35 7.948 -13.368 6.309 1.00 0.00 C ATOM 517 O PHE A 35 7.155 -13.660 7.205 1.00 0.00 O ATOM 518 CB PHE A 35 6.220 -12.615 4.667 1.00 0.00 C ATOM 519 CG PHE A 35 5.774 -11.450 3.818 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.151 -10.347 4.416 1.00 0.00 C ATOM 521 CD2 PHE A 35 5.983 -11.469 2.434 1.00 0.00 C ATOM 522 CE1 PHE A 35 4.737 -9.265 3.630 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.570 -10.386 1.648 1.00 0.00 C ATOM 524 CZ PHE A 35 4.947 -9.284 2.246 1.00 0.00 C ATOM 0 H PHE A 35 8.375 -12.785 3.381 1.00 0.00 H new ATOM 0 HA PHE A 35 7.561 -11.338 5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.272 -13.521 4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.495 -12.801 5.459 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.990 -10.331 5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.463 -12.319 1.972 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.256 -8.415 4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.732 -10.401 0.580 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.629 -8.449 1.640 1.00 0.00 H new ATOM 534 N VAL A 36 9.142 -13.939 6.189 1.00 0.00 N ATOM 535 CA VAL A 36 9.582 -14.961 7.134 1.00 0.00 C ATOM 536 C VAL A 36 9.581 -14.409 8.556 1.00 0.00 C ATOM 537 O VAL A 36 9.202 -15.102 9.501 1.00 0.00 O ATOM 538 CB VAL A 36 10.989 -15.438 6.775 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.528 -16.324 7.900 1.00 0.00 C ATOM 540 CG2 VAL A 36 10.935 -16.244 5.476 1.00 0.00 C ATOM 0 H VAL A 36 9.816 -13.716 5.456 1.00 0.00 H new ATOM 0 HA VAL A 36 8.889 -15.801 7.078 1.00 0.00 H new ATOM 0 HB VAL A 36 11.644 -14.577 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.531 -16.665 7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.563 -15.753 8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.874 -17.186 8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.937 -16.585 5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.281 -17.106 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.548 -15.616 4.674 1.00 0.00 H new ATOM 550 N ASN A 37 10.007 -13.158 8.701 1.00 0.00 N ATOM 551 CA ASN A 37 10.049 -12.524 10.013 1.00 0.00 C ATOM 552 C ASN A 37 8.689 -11.930 10.366 1.00 0.00 C ATOM 553 O ASN A 37 8.533 -11.277 11.397 1.00 0.00 O ATOM 554 CB ASN A 37 11.110 -11.420 10.025 1.00 0.00 C ATOM 555 CG ASN A 37 12.488 -12.019 9.764 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.678 -13.226 9.907 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.466 -11.241 9.388 1.00 0.00 N ATOM 0 H ASN A 37 10.326 -12.568 7.933 1.00 0.00 H new ATOM 0 HA ASN A 37 10.304 -13.282 10.754 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.879 -10.674 9.265 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.103 -10.908 10.987 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.391 -11.633 9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.305 -10.241 9.270 1.00 0.00 H new ATOM 564 N THR A 38 7.707 -12.166 9.502 1.00 0.00 N ATOM 565 CA THR A 38 6.359 -11.655 9.729 1.00 0.00 C ATOM 566 C THR A 38 5.359 -12.804 9.790 1.00 0.00 C ATOM 567 O THR A 38 5.472 -13.777 9.047 1.00 0.00 O ATOM 568 CB THR A 38 5.968 -10.692 8.605 1.00 0.00 C ATOM 569 OG1 THR A 38 6.940 -9.661 8.508 1.00 0.00 O ATOM 570 CG2 THR A 38 4.600 -10.080 8.909 1.00 0.00 C ATOM 0 H THR A 38 7.818 -12.705 8.643 1.00 0.00 H new ATOM 0 HA THR A 38 6.345 -11.123 10.680 1.00 0.00 H new ATOM 0 HB THR A 38 5.919 -11.235 7.661 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.692 -9.044 7.788 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.322 -9.394 8.108 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.855 -10.872 8.983 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.646 -9.536 9.853 1.00 0.00 H new ATOM 578 N ASP A 39 4.382 -12.687 10.684 1.00 0.00 N ATOM 579 CA ASP A 39 3.372 -13.729 10.833 1.00 0.00 C ATOM 580 C ASP A 39 2.341 -13.657 9.709 1.00 0.00 C ATOM 581 O ASP A 39 2.235 -12.650 9.009 1.00 0.00 O ATOM 582 CB ASP A 39 2.671 -13.591 12.186 1.00 0.00 C ATOM 583 CG ASP A 39 2.052 -12.207 12.314 1.00 0.00 C ATOM 584 OD1 ASP A 39 2.596 -11.282 11.735 1.00 0.00 O ATOM 585 OD2 ASP A 39 1.046 -12.090 12.994 1.00 0.00 O ATOM 0 H ASP A 39 4.268 -11.890 11.310 1.00 0.00 H new ATOM 0 HA ASP A 39 3.873 -14.696 10.781 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.899 -14.354 12.284 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.385 -13.755 12.993 1.00 0.00 H new ATOM 590 N MET A 40 1.593 -14.742 9.544 1.00 0.00 N ATOM 591 CA MET A 40 0.572 -14.819 8.502 1.00 0.00 C ATOM 592 C MET A 40 -0.506 -13.755 8.701 1.00 0.00 C ATOM 593 O MET A 40 -1.056 -13.228 7.734 1.00 0.00 O ATOM 594 CB MET A 40 -0.074 -16.206 8.526 1.00 0.00 C ATOM 595 CG MET A 40 0.990 -17.272 8.250 1.00 0.00 C ATOM 596 SD MET A 40 1.684 -17.031 6.596 1.00 0.00 S ATOM 597 CE MET A 40 0.214 -17.513 5.658 1.00 0.00 C ATOM 0 H MET A 40 1.673 -15.581 10.118 1.00 0.00 H new ATOM 0 HA MET A 40 1.052 -14.643 7.540 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.540 -16.385 9.495 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.864 -16.264 7.777 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.780 -17.212 8.998 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.551 -18.266 8.329 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.479 -17.644 4.609 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.178 -18.450 6.053 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.545 -16.736 5.747 1.00 0.00 H new ATOM 607 N ALA A 41 -0.819 -13.456 9.959 1.00 0.00 N ATOM 608 CA ALA A 41 -1.851 -12.468 10.266 1.00 0.00 C ATOM 609 C ALA A 41 -1.464 -11.080 9.760 1.00 0.00 C ATOM 610 O ALA A 41 -2.202 -10.463 8.993 1.00 0.00 O ATOM 611 CB ALA A 41 -2.081 -12.411 11.776 1.00 0.00 C ATOM 0 H ALA A 41 -0.378 -13.879 10.776 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.767 -12.774 9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.851 -11.673 11.999 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.402 -13.390 12.132 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.154 -12.130 12.275 1.00 0.00 H new ATOM 617 N LYS A 42 -0.309 -10.590 10.199 1.00 0.00 N ATOM 618 CA LYS A 42 0.155 -9.269 9.782 1.00 0.00 C ATOM 619 C LYS A 42 0.357 -9.213 8.273 1.00 0.00 C ATOM 620 O LYS A 42 0.131 -8.176 7.647 1.00 0.00 O ATOM 621 CB LYS A 42 1.471 -8.925 10.485 1.00 0.00 C ATOM 622 CG LYS A 42 1.287 -8.977 12.007 1.00 0.00 C ATOM 623 CD LYS A 42 0.382 -7.829 12.465 1.00 0.00 C ATOM 624 CE LYS A 42 0.552 -7.619 13.970 1.00 0.00 C ATOM 625 NZ LYS A 42 -0.571 -6.784 14.485 1.00 0.00 N ATOM 0 H LYS A 42 0.318 -11.081 10.837 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.608 -8.542 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.248 -9.626 10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.803 -7.931 10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.850 -9.933 12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.256 -8.907 12.501 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.635 -6.915 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.659 -8.057 12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.569 -8.581 14.483 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.505 -7.132 14.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.456 -6.641 15.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.567 -5.862 14.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.474 -7.266 14.302 1.00 0.00 H new ATOM 639 N GLN A 43 0.792 -10.326 7.691 1.00 0.00 N ATOM 640 CA GLN A 43 1.027 -10.374 6.253 1.00 0.00 C ATOM 641 C GLN A 43 -0.225 -9.963 5.486 1.00 0.00 C ATOM 642 O GLN A 43 -0.152 -9.193 4.530 1.00 0.00 O ATOM 643 CB GLN A 43 1.438 -11.788 5.838 1.00 0.00 C ATOM 644 CG GLN A 43 1.863 -11.784 4.369 1.00 0.00 C ATOM 645 CD GLN A 43 2.164 -13.206 3.910 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.142 -14.179 4.779 1.00 0.00 O flip ATOM 647 NE2 GLN A 43 2.426 -13.437 2.730 1.00 0.00 N flip ATOM 0 H GLN A 43 0.987 -11.196 8.186 1.00 0.00 H new ATOM 0 HA GLN A 43 1.829 -9.675 6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.258 -12.138 6.464 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.607 -12.478 5.986 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.072 -11.354 3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.745 -11.157 4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.443 -12.675 2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.627 -14.391 2.429 1.00 0.00 H new ATOM 656 N LYS A 44 -1.374 -10.476 5.914 1.00 0.00 N ATOM 657 CA LYS A 44 -2.632 -10.145 5.256 1.00 0.00 C ATOM 658 C LYS A 44 -2.911 -8.649 5.352 1.00 0.00 C ATOM 659 O LYS A 44 -3.436 -8.044 4.418 1.00 0.00 O ATOM 660 CB LYS A 44 -3.780 -10.926 5.898 1.00 0.00 C ATOM 661 CG LYS A 44 -3.589 -12.422 5.638 1.00 0.00 C ATOM 662 CD LYS A 44 -4.800 -13.192 6.171 1.00 0.00 C ATOM 663 CE LYS A 44 -4.561 -14.694 6.009 1.00 0.00 C ATOM 664 NZ LYS A 44 -5.762 -15.323 5.390 1.00 0.00 N ATOM 0 H LYS A 44 -1.460 -11.115 6.704 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.553 -10.419 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.810 -10.734 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.734 -10.594 5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.470 -12.604 4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.679 -12.773 6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.965 -12.950 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.699 -12.896 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.684 -14.869 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.359 -15.148 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.601 -16.344 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.589 -15.167 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.935 -14.897 4.457 1.00 0.00 H new ATOM 678 N GLN A 45 -2.557 -8.059 6.490 1.00 0.00 N ATOM 679 CA GLN A 45 -2.775 -6.632 6.700 1.00 0.00 C ATOM 680 C GLN A 45 -2.016 -5.807 5.667 1.00 0.00 C ATOM 681 O GLN A 45 -2.526 -4.806 5.164 1.00 0.00 O ATOM 682 CB GLN A 45 -2.318 -6.237 8.105 1.00 0.00 C ATOM 683 CG GLN A 45 -2.719 -4.788 8.386 1.00 0.00 C ATOM 684 CD GLN A 45 -2.288 -4.391 9.793 1.00 0.00 C ATOM 685 OE1 GLN A 45 -1.836 -5.235 10.567 1.00 0.00 O ATOM 686 NE2 GLN A 45 -2.400 -3.148 10.174 1.00 0.00 N ATOM 0 H GLN A 45 -2.121 -8.543 7.275 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.841 -6.431 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.768 -6.899 8.844 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.237 -6.349 8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.256 -4.126 7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.798 -4.674 8.282 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.775 -2.450 9.532 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.113 -2.875 11.114 1.00 0.00 H new ATOM 695 N HIS A 46 -0.793 -6.227 5.359 1.00 0.00 N ATOM 696 CA HIS A 46 0.026 -5.510 4.388 1.00 0.00 C ATOM 697 C HIS A 46 -0.669 -5.461 3.031 1.00 0.00 C ATOM 698 O HIS A 46 -0.707 -4.417 2.381 1.00 0.00 O ATOM 699 CB HIS A 46 1.389 -6.188 4.242 1.00 0.00 C ATOM 700 CG HIS A 46 2.263 -5.362 3.338 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.431 -5.665 1.995 1.00 0.00 N ATOM 702 CD2 HIS A 46 3.017 -4.238 3.564 1.00 0.00 C ATOM 703 CE1 HIS A 46 3.257 -4.740 1.471 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.644 -3.846 2.384 1.00 0.00 N ATOM 0 H HIS A 46 -0.350 -7.052 5.763 1.00 0.00 H new ATOM 0 HA HIS A 46 0.168 -4.491 4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.859 -6.299 5.219 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.267 -7.190 3.832 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.006 -6.446 1.495 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.110 -3.733 4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.569 -4.723 0.437 1.00 0.00 H new ATOM 712 N GLN A 47 -1.220 -6.595 2.609 1.00 0.00 N ATOM 713 CA GLN A 47 -1.912 -6.660 1.327 1.00 0.00 C ATOM 714 C GLN A 47 -3.093 -5.697 1.302 1.00 0.00 C ATOM 715 O GLN A 47 -3.383 -5.085 0.274 1.00 0.00 O ATOM 716 CB GLN A 47 -2.405 -8.086 1.064 1.00 0.00 C ATOM 717 CG GLN A 47 -1.230 -8.977 0.651 1.00 0.00 C ATOM 718 CD GLN A 47 0.009 -8.646 1.480 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.551 -7.546 1.383 1.00 0.00 O ATOM 720 NE2 GLN A 47 0.494 -9.544 2.292 1.00 0.00 N ATOM 0 H GLN A 47 -1.202 -7.472 3.129 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.208 -6.372 0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.879 -8.487 1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.161 -8.080 0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.496 -10.025 0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.014 -8.837 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.044 -10.456 2.372 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.323 -9.334 2.847 1.00 0.00 H new ATOM 729 N LYS A 48 -3.770 -5.562 2.438 1.00 0.00 N ATOM 730 CA LYS A 48 -4.917 -4.665 2.524 1.00 0.00 C ATOM 731 C LYS A 48 -4.494 -3.236 2.194 1.00 0.00 C ATOM 732 O LYS A 48 -5.130 -2.560 1.383 1.00 0.00 O ATOM 733 CB LYS A 48 -5.509 -4.718 3.936 1.00 0.00 C ATOM 734 CG LYS A 48 -6.802 -3.893 4.006 1.00 0.00 C ATOM 735 CD LYS A 48 -7.968 -4.697 3.422 1.00 0.00 C ATOM 736 CE LYS A 48 -9.283 -3.978 3.725 1.00 0.00 C ATOM 737 NZ LYS A 48 -9.995 -3.686 2.448 1.00 0.00 N ATOM 0 H LYS A 48 -3.548 -6.056 3.302 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.671 -4.984 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.715 -5.752 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.786 -4.334 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.016 -3.625 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.679 -2.961 3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.843 -4.811 2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.982 -5.700 3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.908 -4.596 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.087 -3.052 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.664 -2.904 2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.304 -3.418 1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.514 -4.532 2.139 1.00 0.00 H new ATOM 751 N ASP A 49 -3.411 -2.787 2.820 1.00 0.00 N ATOM 752 CA ASP A 49 -2.904 -1.440 2.577 1.00 0.00 C ATOM 753 C ASP A 49 -2.381 -1.317 1.150 1.00 0.00 C ATOM 754 O ASP A 49 -2.573 -0.296 0.491 1.00 0.00 O ATOM 755 CB ASP A 49 -1.779 -1.121 3.563 1.00 0.00 C ATOM 756 CG ASP A 49 -2.332 -1.063 4.983 1.00 0.00 C ATOM 757 OD1 ASP A 49 -3.542 -1.000 5.125 1.00 0.00 O ATOM 758 OD2 ASP A 49 -1.537 -1.082 5.909 1.00 0.00 O ATOM 0 H ASP A 49 -2.871 -3.330 3.494 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.721 -0.732 2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.000 -1.881 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.317 -0.168 3.305 1.00 0.00 H new ATOM 763 N PHE A 50 -1.714 -2.368 0.686 1.00 0.00 N ATOM 764 CA PHE A 50 -1.156 -2.381 -0.662 1.00 0.00 C ATOM 765 C PHE A 50 -2.254 -2.207 -1.707 1.00 0.00 C ATOM 766 O PHE A 50 -2.115 -1.421 -2.643 1.00 0.00 O ATOM 767 CB PHE A 50 -0.428 -3.706 -0.903 1.00 0.00 C ATOM 768 CG PHE A 50 0.249 -3.678 -2.253 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.538 -3.148 -2.378 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.413 -4.185 -3.378 1.00 0.00 C ATOM 771 CE1 PHE A 50 2.166 -3.123 -3.629 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.215 -4.159 -4.629 1.00 0.00 C ATOM 773 CZ PHE A 50 1.504 -3.630 -4.754 1.00 0.00 C ATOM 0 H PHE A 50 -1.547 -3.220 1.221 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.456 -1.551 -0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.310 -3.874 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.135 -4.534 -0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.048 -2.758 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.407 -4.596 -3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.160 -2.713 -3.726 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.296 -4.547 -5.498 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.989 -3.613 -5.719 1.00 0.00 H new ATOM 783 N MET A 51 -3.344 -2.948 -1.540 1.00 0.00 N ATOM 784 CA MET A 51 -4.459 -2.872 -2.478 1.00 0.00 C ATOM 785 C MET A 51 -5.052 -1.466 -2.501 1.00 0.00 C ATOM 786 O MET A 51 -5.415 -0.954 -3.560 1.00 0.00 O ATOM 787 CB MET A 51 -5.540 -3.881 -2.081 1.00 0.00 C ATOM 788 CG MET A 51 -6.617 -3.934 -3.166 1.00 0.00 C ATOM 789 SD MET A 51 -5.972 -4.804 -4.617 1.00 0.00 S ATOM 790 CE MET A 51 -7.259 -6.073 -4.711 1.00 0.00 C ATOM 0 H MET A 51 -3.479 -3.603 -0.770 1.00 0.00 H new ATOM 0 HA MET A 51 -4.088 -3.108 -3.475 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.098 -4.868 -1.945 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.984 -3.597 -1.127 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.504 -4.443 -2.788 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.922 -2.924 -3.440 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.057 -6.735 -5.553 1.00 0.00 H new ATOM 0 HE2 MET A 51 -7.267 -6.652 -3.788 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.230 -5.597 -4.849 1.00 0.00 H new ATOM 800 N THR A 52 -5.149 -0.848 -1.328 1.00 0.00 N ATOM 801 CA THR A 52 -5.704 0.498 -1.230 1.00 0.00 C ATOM 802 C THR A 52 -4.881 1.484 -2.053 1.00 0.00 C ATOM 803 O THR A 52 -5.429 2.369 -2.709 1.00 0.00 O ATOM 804 CB THR A 52 -5.730 0.948 0.233 1.00 0.00 C ATOM 805 OG1 THR A 52 -6.435 -0.011 1.008 1.00 0.00 O ATOM 806 CG2 THR A 52 -6.425 2.305 0.339 1.00 0.00 C ATOM 0 H THR A 52 -4.854 -1.253 -0.440 1.00 0.00 H new ATOM 0 HA THR A 52 -6.721 0.478 -1.623 1.00 0.00 H new ATOM 0 HB THR A 52 -4.709 1.037 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.862 -0.790 1.164 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.443 2.624 1.381 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.882 3.039 -0.256 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.446 2.221 -0.032 1.00 0.00 H new ATOM 814 N TYR A 53 -3.563 1.325 -2.010 1.00 0.00 N ATOM 815 CA TYR A 53 -2.670 2.208 -2.752 1.00 0.00 C ATOM 816 C TYR A 53 -2.965 2.141 -4.248 1.00 0.00 C ATOM 817 O TYR A 53 -2.901 3.151 -4.949 1.00 0.00 O ATOM 818 CB TYR A 53 -1.214 1.814 -2.498 1.00 0.00 C ATOM 819 CG TYR A 53 -0.298 2.830 -3.138 1.00 0.00 C ATOM 820 CD1 TYR A 53 0.023 4.009 -2.453 1.00 0.00 C ATOM 821 CD2 TYR A 53 0.228 2.595 -4.414 1.00 0.00 C ATOM 822 CE1 TYR A 53 0.870 4.952 -3.045 1.00 0.00 C ATOM 823 CE2 TYR A 53 1.077 3.540 -5.004 1.00 0.00 C ATOM 824 CZ TYR A 53 1.398 4.718 -4.319 1.00 0.00 C ATOM 825 OH TYR A 53 2.233 5.649 -4.902 1.00 0.00 O ATOM 0 H TYR A 53 -3.091 0.598 -1.473 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.835 3.229 -2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.022 1.760 -1.426 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.018 0.823 -2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.383 4.190 -1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.020 1.687 -4.943 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.117 5.862 -2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.484 3.360 -5.988 1.00 0.00 H new ATOM 0 HH TYR A 53 2.727 6.128 -4.204 1.00 0.00 H new ATOM 835 N ALA A 54 -3.283 0.944 -4.731 1.00 0.00 N ATOM 836 CA ALA A 54 -3.580 0.754 -6.147 1.00 0.00 C ATOM 837 C ALA A 54 -4.773 1.605 -6.574 1.00 0.00 C ATOM 838 O ALA A 54 -4.851 2.044 -7.721 1.00 0.00 O ATOM 839 CB ALA A 54 -3.879 -0.721 -6.424 1.00 0.00 C ATOM 0 H ALA A 54 -3.342 0.096 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.708 1.065 -6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.100 -0.855 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.012 -1.325 -6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.738 -1.036 -5.832 1.00 0.00 H new ATOM 845 N PHE A 55 -5.699 1.833 -5.648 1.00 0.00 N ATOM 846 CA PHE A 55 -6.883 2.633 -5.949 1.00 0.00 C ATOM 847 C PHE A 55 -6.650 4.101 -5.602 1.00 0.00 C ATOM 848 O PHE A 55 -7.593 4.892 -5.555 1.00 0.00 O ATOM 849 CB PHE A 55 -8.091 2.103 -5.175 1.00 0.00 C ATOM 850 CG PHE A 55 -8.525 0.782 -5.766 1.00 0.00 C ATOM 851 CD1 PHE A 55 -9.319 0.762 -6.919 1.00 0.00 C ATOM 852 CD2 PHE A 55 -8.135 -0.420 -5.164 1.00 0.00 C ATOM 853 CE1 PHE A 55 -9.722 -0.459 -7.472 1.00 0.00 C ATOM 854 CE2 PHE A 55 -8.539 -1.643 -5.717 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.333 -1.662 -6.870 1.00 0.00 C ATOM 0 H PHE A 55 -5.655 1.480 -4.692 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.081 2.556 -7.018 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.836 1.977 -4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.910 2.821 -5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.621 1.690 -7.382 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.523 -0.405 -4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.333 -0.473 -8.363 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.238 -2.571 -5.254 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.645 -2.604 -7.295 1.00 0.00 H new ATOM 865 N GLY A 56 -5.393 4.461 -5.365 1.00 0.00 N ATOM 866 CA GLY A 56 -5.056 5.839 -5.029 1.00 0.00 C ATOM 867 C GLY A 56 -5.234 6.103 -3.538 1.00 0.00 C ATOM 868 O GLY A 56 -5.662 7.186 -3.138 1.00 0.00 O ATOM 0 H GLY A 56 -4.597 3.824 -5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.025 6.044 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.688 6.520 -5.599 1.00 0.00 H new ATOM 872 N GLY A 57 -4.901 5.110 -2.722 1.00 0.00 N ATOM 873 CA GLY A 57 -5.025 5.248 -1.275 1.00 0.00 C ATOM 874 C GLY A 57 -4.013 6.255 -0.736 1.00 0.00 C ATOM 875 O GLY A 57 -3.753 6.305 0.465 1.00 0.00 O ATOM 0 H GLY A 57 -4.545 4.206 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.035 5.570 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.870 4.280 -0.799 1.00 0.00 H new ATOM 879 N THR A 58 -3.446 7.055 -1.636 1.00 0.00 N ATOM 880 CA THR A 58 -2.460 8.059 -1.247 1.00 0.00 C ATOM 881 C THR A 58 -3.089 9.107 -0.334 1.00 0.00 C ATOM 882 O THR A 58 -2.417 10.036 0.115 1.00 0.00 O ATOM 883 CB THR A 58 -1.896 8.745 -2.494 1.00 0.00 C ATOM 884 OG1 THR A 58 -2.926 9.496 -3.123 1.00 0.00 O ATOM 885 CG2 THR A 58 -1.367 7.688 -3.464 1.00 0.00 C ATOM 0 H THR A 58 -3.651 7.028 -2.635 1.00 0.00 H new ATOM 0 HA THR A 58 -1.656 7.559 -0.707 1.00 0.00 H new ATOM 0 HB THR A 58 -1.082 9.411 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.568 9.938 -3.921 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.966 8.177 -4.352 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.579 7.112 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.179 7.021 -3.753 1.00 0.00 H new ATOM 893 N ASP A 59 -4.382 8.956 -0.072 1.00 0.00 N ATOM 894 CA ASP A 59 -5.096 9.901 0.779 1.00 0.00 C ATOM 895 C ASP A 59 -4.348 10.130 2.090 1.00 0.00 C ATOM 896 O ASP A 59 -4.317 11.246 2.607 1.00 0.00 O ATOM 897 CB ASP A 59 -6.498 9.371 1.080 1.00 0.00 C ATOM 898 CG ASP A 59 -7.309 10.431 1.817 1.00 0.00 C ATOM 899 OD1 ASP A 59 -7.873 11.284 1.152 1.00 0.00 O ATOM 900 OD2 ASP A 59 -7.354 10.373 3.034 1.00 0.00 O ATOM 0 H ASP A 59 -4.955 8.193 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.166 10.850 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.000 9.098 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.432 8.466 1.685 1.00 0.00 H new ATOM 905 N ARG A 60 -3.747 9.071 2.627 1.00 0.00 N ATOM 906 CA ARG A 60 -3.008 9.185 3.880 1.00 0.00 C ATOM 907 C ARG A 60 -1.609 8.593 3.740 1.00 0.00 C ATOM 908 O ARG A 60 -1.301 7.558 4.328 1.00 0.00 O ATOM 909 CB ARG A 60 -3.762 8.459 4.996 1.00 0.00 C ATOM 910 CG ARG A 60 -3.091 8.751 6.341 1.00 0.00 C ATOM 911 CD ARG A 60 -3.849 8.029 7.456 1.00 0.00 C ATOM 912 NE ARG A 60 -3.681 6.586 7.327 1.00 0.00 N ATOM 913 CZ ARG A 60 -3.931 5.772 8.348 1.00 0.00 C ATOM 914 NH1 ARG A 60 -4.332 6.261 9.490 1.00 0.00 N ATOM 915 NH2 ARG A 60 -3.777 4.484 8.208 1.00 0.00 N ATOM 0 H ARG A 60 -3.757 8.136 2.220 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.916 10.242 4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.802 8.785 5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.768 7.386 4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.052 8.422 6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.081 9.825 6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.483 8.360 8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.908 8.285 7.411 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.367 6.195 6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.454 7.268 9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.524 5.636 10.273 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.465 4.102 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.969 3.859 8.991 1.00 0.00 H new ATOM 929 N PHE A 61 -0.763 9.258 2.957 1.00 0.00 N ATOM 930 CA PHE A 61 0.601 8.788 2.753 1.00 0.00 C ATOM 931 C PHE A 61 1.580 9.959 2.734 1.00 0.00 C ATOM 932 O PHE A 61 2.267 10.189 1.738 1.00 0.00 O ATOM 933 CB PHE A 61 0.693 8.021 1.434 1.00 0.00 C ATOM 934 CG PHE A 61 0.258 6.593 1.659 1.00 0.00 C ATOM 935 CD1 PHE A 61 -1.104 6.269 1.656 1.00 0.00 C ATOM 936 CD2 PHE A 61 1.215 5.594 1.872 1.00 0.00 C ATOM 937 CE1 PHE A 61 -1.509 4.946 1.866 1.00 0.00 C ATOM 938 CE2 PHE A 61 0.809 4.271 2.082 1.00 0.00 C ATOM 939 CZ PHE A 61 -0.552 3.946 2.079 1.00 0.00 C ATOM 0 H PHE A 61 -0.997 10.116 2.458 1.00 0.00 H new ATOM 0 HA PHE A 61 0.865 8.128 3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.061 8.492 0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.715 8.047 1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.842 7.040 1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.266 5.844 1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.560 4.696 1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.547 3.500 2.247 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.864 2.925 2.241 1.00 0.00 H new ATOM 949 N PRO A 62 1.656 10.697 3.811 1.00 0.00 N ATOM 950 CA PRO A 62 2.574 11.868 3.919 1.00 0.00 C ATOM 951 C PRO A 62 4.042 11.462 3.826 1.00 0.00 C ATOM 952 O PRO A 62 4.908 12.290 3.544 1.00 0.00 O ATOM 953 CB PRO A 62 2.258 12.474 5.291 1.00 0.00 C ATOM 954 CG PRO A 62 1.556 11.405 6.062 1.00 0.00 C ATOM 955 CD PRO A 62 0.876 10.495 5.041 1.00 0.00 C ATOM 0 HA PRO A 62 2.423 12.572 3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.170 12.786 5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.630 13.359 5.191 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.262 10.841 6.671 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.823 11.838 6.742 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.895 9.453 5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.170 10.766 4.899 1.00 0.00 H new ATOM 963 N GLY A 63 4.316 10.184 4.067 1.00 0.00 N ATOM 964 CA GLY A 63 5.685 9.684 4.009 1.00 0.00 C ATOM 965 C GLY A 63 6.447 10.047 5.279 1.00 0.00 C ATOM 966 O GLY A 63 7.620 10.416 5.228 1.00 0.00 O ATOM 0 H GLY A 63 3.615 9.481 4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.677 8.602 3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.194 10.104 3.141 1.00 0.00 H new ATOM 970 N ARG A 64 5.768 9.942 6.417 1.00 0.00 N ATOM 971 CA ARG A 64 6.387 10.266 7.698 1.00 0.00 C ATOM 972 C ARG A 64 7.681 9.479 7.887 1.00 0.00 C ATOM 973 O ARG A 64 8.669 10.008 8.395 1.00 0.00 O ATOM 974 CB ARG A 64 5.419 9.939 8.837 1.00 0.00 C ATOM 975 CG ARG A 64 6.016 10.399 10.168 1.00 0.00 C ATOM 976 CD ARG A 64 5.109 9.951 11.314 1.00 0.00 C ATOM 977 NE ARG A 64 3.778 10.527 11.160 1.00 0.00 N ATOM 978 CZ ARG A 64 2.699 9.904 11.626 1.00 0.00 C ATOM 979 NH1 ARG A 64 2.820 8.758 12.239 1.00 0.00 N ATOM 980 NH2 ARG A 64 1.519 10.440 11.472 1.00 0.00 N ATOM 0 H ARG A 64 4.796 9.638 6.479 1.00 0.00 H new ATOM 0 HA ARG A 64 6.621 11.331 7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.462 10.432 8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.225 8.867 8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.014 9.981 10.295 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.122 11.484 10.176 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.042 8.863 11.330 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.538 10.258 12.268 1.00 0.00 H new ATOM 0 HE ARG A 64 3.673 11.424 10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.742 8.340 12.361 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.992 8.281 12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.424 11.336 10.994 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.691 9.963 11.829 1.00 0.00 H new ATOM 994 N SER A 65 7.667 8.215 7.477 1.00 0.00 N ATOM 995 CA SER A 65 8.848 7.369 7.608 1.00 0.00 C ATOM 996 C SER A 65 8.630 6.027 6.916 1.00 0.00 C ATOM 997 O SER A 65 9.097 4.991 7.389 1.00 0.00 O ATOM 998 CB SER A 65 9.164 7.138 9.088 1.00 0.00 C ATOM 999 OG SER A 65 8.420 8.057 9.876 1.00 0.00 O ATOM 0 H SER A 65 6.859 7.757 7.055 1.00 0.00 H new ATOM 0 HA SER A 65 9.687 7.876 7.132 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.915 6.115 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.231 7.267 9.268 1.00 0.00 H new ATOM 0 HG SER A 65 8.838 8.942 9.828 1.00 0.00 H new ATOM 1005 N MET A 66 7.918 6.051 5.795 1.00 0.00 N ATOM 1006 CA MET A 66 7.647 4.826 5.052 1.00 0.00 C ATOM 1007 C MET A 66 8.950 4.146 4.648 1.00 0.00 C ATOM 1008 O MET A 66 9.054 2.920 4.669 1.00 0.00 O ATOM 1009 CB MET A 66 6.826 5.143 3.801 1.00 0.00 C ATOM 1010 CG MET A 66 5.451 5.674 4.211 1.00 0.00 C ATOM 1011 SD MET A 66 4.537 4.379 5.083 1.00 0.00 S ATOM 1012 CE MET A 66 4.036 5.374 6.509 1.00 0.00 C ATOM 0 H MET A 66 7.521 6.896 5.384 1.00 0.00 H new ATOM 0 HA MET A 66 7.082 4.152 5.695 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.345 5.882 3.190 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.714 4.247 3.190 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.564 6.548 4.852 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.896 5.995 3.329 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.448 4.761 7.192 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.923 5.743 7.024 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.435 6.218 6.171 1.00 0.00 H new ATOM 1022 N ARG A 67 9.945 4.950 4.284 1.00 0.00 N ATOM 1023 CA ARG A 67 11.238 4.410 3.881 1.00 0.00 C ATOM 1024 C ARG A 67 11.871 3.628 5.028 1.00 0.00 C ATOM 1025 O ARG A 67 12.517 2.601 4.811 1.00 0.00 O ATOM 1026 CB ARG A 67 12.173 5.548 3.462 1.00 0.00 C ATOM 1027 CG ARG A 67 11.603 6.250 2.227 1.00 0.00 C ATOM 1028 CD ARG A 67 12.584 7.324 1.752 1.00 0.00 C ATOM 1029 NE ARG A 67 11.974 8.137 0.707 1.00 0.00 N ATOM 1030 CZ ARG A 67 12.651 9.115 0.113 1.00 0.00 C ATOM 1031 NH1 ARG A 67 13.885 9.360 0.460 1.00 0.00 N ATOM 1032 NH2 ARG A 67 12.082 9.830 -0.819 1.00 0.00 N ATOM 0 H ARG A 67 9.882 5.968 4.260 1.00 0.00 H new ATOM 0 HA ARG A 67 11.083 3.738 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.284 6.261 4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.166 5.155 3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.428 5.525 1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.640 6.702 2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.876 7.956 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.493 6.855 1.374 1.00 0.00 H new ATOM 0 HE ARG A 67 11.011 7.952 0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.331 8.801 1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.404 10.110 0.004 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.118 9.638 -1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.601 10.580 -1.275 1.00 0.00 H new ATOM 1046 N ALA A 68 11.683 4.121 6.248 1.00 0.00 N ATOM 1047 CA ALA A 68 12.242 3.464 7.425 1.00 0.00 C ATOM 1048 C ALA A 68 11.621 2.085 7.623 1.00 0.00 C ATOM 1049 O ALA A 68 12.288 1.153 8.074 1.00 0.00 O ATOM 1050 CB ALA A 68 11.990 4.320 8.668 1.00 0.00 C ATOM 0 H ALA A 68 11.151 4.968 6.447 1.00 0.00 H new ATOM 0 HA ALA A 68 13.315 3.345 7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.410 3.824 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.463 5.294 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.917 4.453 8.807 1.00 0.00 H new ATOM 1056 N ALA A 69 10.340 1.962 7.291 1.00 0.00 N ATOM 1057 CA ALA A 69 9.642 0.689 7.444 1.00 0.00 C ATOM 1058 C ALA A 69 10.269 -0.383 6.560 1.00 0.00 C ATOM 1059 O ALA A 69 10.372 -1.545 6.956 1.00 0.00 O ATOM 1060 CB ALA A 69 8.167 0.858 7.077 1.00 0.00 C ATOM 0 H ALA A 69 9.768 2.720 6.918 1.00 0.00 H new ATOM 0 HA ALA A 69 9.726 0.375 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.652 -0.095 7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.711 1.599 7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.085 1.191 6.042 1.00 0.00 H new ATOM 1066 N HIS A 70 10.686 0.010 5.361 1.00 0.00 N ATOM 1067 CA HIS A 70 11.300 -0.931 4.431 1.00 0.00 C ATOM 1068 C HIS A 70 12.820 -0.915 4.570 1.00 0.00 C ATOM 1069 O HIS A 70 13.506 -1.820 4.098 1.00 0.00 O ATOM 1070 CB HIS A 70 10.911 -0.575 2.995 1.00 0.00 C ATOM 1071 CG HIS A 70 9.421 -0.708 2.830 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.563 0.372 2.959 1.00 0.00 N ATOM 1073 CD2 HIS A 70 8.623 -1.789 2.545 1.00 0.00 C ATOM 1074 CE1 HIS A 70 7.311 -0.077 2.755 1.00 0.00 C ATOM 1075 NE2 HIS A 70 7.290 -1.388 2.498 1.00 0.00 N ATOM 0 H HIS A 70 10.611 0.966 5.012 1.00 0.00 H new ATOM 0 HA HIS A 70 10.939 -1.932 4.668 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.223 0.443 2.764 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.425 -1.233 2.294 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.832 1.333 3.170 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.976 -2.797 2.382 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.430 0.547 2.794 1.00 0.00 H new ATOM 1083 N GLN A 71 13.339 0.123 5.221 1.00 0.00 N ATOM 1084 CA GLN A 71 14.780 0.247 5.414 1.00 0.00 C ATOM 1085 C GLN A 71 15.330 -0.959 6.170 1.00 0.00 C ATOM 1086 O GLN A 71 16.419 -1.448 5.868 1.00 0.00 O ATOM 1087 CB GLN A 71 15.092 1.526 6.195 1.00 0.00 C ATOM 1088 CG GLN A 71 16.607 1.743 6.242 1.00 0.00 C ATOM 1089 CD GLN A 71 17.119 2.146 4.864 1.00 0.00 C ATOM 1090 OE1 GLN A 71 16.581 3.063 4.245 1.00 0.00 O ATOM 1091 NE2 GLN A 71 18.134 1.512 4.343 1.00 0.00 N ATOM 0 H GLN A 71 12.789 0.883 5.620 1.00 0.00 H new ATOM 0 HA GLN A 71 15.255 0.292 4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.607 2.380 5.723 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.693 1.453 7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.849 2.517 6.970 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.103 0.830 6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.579 0.752 4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.482 1.777 3.421 1.00 0.00 H new ATOM 1100 N ASP A 72 14.574 -1.431 7.154 1.00 0.00 N ATOM 1101 CA ASP A 72 15.002 -2.578 7.947 1.00 0.00 C ATOM 1102 C ASP A 72 15.235 -3.793 7.057 1.00 0.00 C ATOM 1103 O ASP A 72 16.184 -4.549 7.259 1.00 0.00 O ATOM 1104 CB ASP A 72 13.940 -2.910 8.997 1.00 0.00 C ATOM 1105 CG ASP A 72 13.848 -1.785 10.021 1.00 0.00 C ATOM 1106 OD1 ASP A 72 14.731 -0.941 10.027 1.00 0.00 O ATOM 1107 OD2 ASP A 72 12.897 -1.781 10.785 1.00 0.00 O ATOM 0 H ASP A 72 13.670 -1.042 7.421 1.00 0.00 H new ATOM 0 HA ASP A 72 15.939 -2.322 8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.973 -3.054 8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.190 -3.847 9.495 1.00 0.00 H new ATOM 1112 N LEU A 73 14.362 -3.977 6.072 1.00 0.00 N ATOM 1113 CA LEU A 73 14.483 -5.109 5.160 1.00 0.00 C ATOM 1114 C LEU A 73 15.786 -5.030 4.371 1.00 0.00 C ATOM 1115 O LEU A 73 16.434 -6.046 4.124 1.00 0.00 O ATOM 1116 CB LEU A 73 13.299 -5.127 4.190 1.00 0.00 C ATOM 1117 CG LEU A 73 11.987 -5.177 4.978 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.810 -5.258 4.004 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.980 -6.413 5.882 1.00 0.00 C ATOM 0 H LEU A 73 13.569 -3.363 5.885 1.00 0.00 H new ATOM 0 HA LEU A 73 14.485 -6.025 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.321 -4.239 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.371 -5.991 3.529 1.00 0.00 H new ATOM 0 HG LEU A 73 11.897 -4.278 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.876 -5.294 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.812 -4.381 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.903 -6.158 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.046 -6.448 6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.071 -7.311 5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.818 -6.361 6.577 1.00 0.00 H new ATOM 1131 N VAL A 74 16.163 -3.818 3.976 1.00 0.00 N ATOM 1132 CA VAL A 74 17.391 -3.622 3.212 1.00 0.00 C ATOM 1133 C VAL A 74 18.610 -4.006 4.044 1.00 0.00 C ATOM 1134 O VAL A 74 19.539 -4.641 3.545 1.00 0.00 O ATOM 1135 CB VAL A 74 17.510 -2.160 2.779 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.850 -1.943 2.075 1.00 0.00 C ATOM 1137 CG2 VAL A 74 16.368 -1.813 1.818 1.00 0.00 C ATOM 0 H VAL A 74 15.641 -2.963 4.170 1.00 0.00 H new ATOM 0 HA VAL A 74 17.351 -4.261 2.330 1.00 0.00 H new ATOM 0 HB VAL A 74 17.452 -1.518 3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.934 -0.901 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.664 -2.186 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.908 -2.587 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.455 -0.771 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.424 -2.456 0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 74 15.412 -1.965 2.319 1.00 0.00 H new ATOM 1147 N GLU A 75 18.602 -3.612 5.313 1.00 0.00 N ATOM 1148 CA GLU A 75 19.717 -3.917 6.202 1.00 0.00 C ATOM 1149 C GLU A 75 19.852 -5.424 6.406 1.00 0.00 C ATOM 1150 O GLU A 75 20.961 -5.946 6.516 1.00 0.00 O ATOM 1151 CB GLU A 75 19.505 -3.236 7.557 1.00 0.00 C ATOM 1152 CG GLU A 75 19.541 -1.717 7.379 1.00 0.00 C ATOM 1153 CD GLU A 75 20.916 -1.278 6.884 1.00 0.00 C ATOM 1154 OE1 GLU A 75 21.848 -2.056 7.018 1.00 0.00 O ATOM 1155 OE2 GLU A 75 21.018 -0.172 6.382 1.00 0.00 O ATOM 0 H GLU A 75 17.843 -3.086 5.746 1.00 0.00 H new ATOM 0 HA GLU A 75 20.632 -3.543 5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.549 -3.540 7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 75 20.279 -3.549 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.775 -1.408 6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.313 -1.227 8.326 1.00 0.00 H new ATOM 1162 N ASN A 76 18.719 -6.116 6.459 1.00 0.00 N ATOM 1163 CA ASN A 76 18.731 -7.561 6.655 1.00 0.00 C ATOM 1164 C ASN A 76 18.804 -8.290 5.317 1.00 0.00 C ATOM 1165 O ASN A 76 19.754 -9.027 5.052 1.00 0.00 O ATOM 1166 CB ASN A 76 17.471 -7.997 7.406 1.00 0.00 C ATOM 1167 CG ASN A 76 17.454 -7.377 8.800 1.00 0.00 C ATOM 1168 OD1 ASN A 76 18.489 -6.926 9.292 1.00 0.00 O ATOM 1169 ND2 ASN A 76 16.335 -7.327 9.468 1.00 0.00 N ATOM 0 H ASN A 76 17.790 -5.705 6.370 1.00 0.00 H new ATOM 0 HA ASN A 76 19.613 -7.818 7.241 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.583 -7.691 6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.441 -9.084 7.482 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.316 -6.914 10.400 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.479 -7.701 9.058 1.00 0.00 H new ATOM 1176 N ALA A 77 17.792 -8.084 4.480 1.00 0.00 N ATOM 1177 CA ALA A 77 17.751 -8.730 3.173 1.00 0.00 C ATOM 1178 C ALA A 77 17.957 -7.713 2.056 1.00 0.00 C ATOM 1179 O ALA A 77 17.572 -6.550 2.184 1.00 0.00 O ATOM 1180 CB ALA A 77 16.405 -9.432 2.983 1.00 0.00 C ATOM 0 H ALA A 77 16.995 -7.480 4.681 1.00 0.00 H new ATOM 0 HA ALA A 77 18.557 -9.462 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.380 -9.913 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.274 -10.185 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.600 -8.700 3.048 1.00 0.00 H new ATOM 1186 N GLY A 78 18.559 -8.159 0.959 1.00 0.00 N ATOM 1187 CA GLY A 78 18.803 -7.277 -0.177 1.00 0.00 C ATOM 1188 C GLY A 78 17.588 -7.240 -1.097 1.00 0.00 C ATOM 1189 O GLY A 78 17.360 -8.163 -1.878 1.00 0.00 O ATOM 0 H GLY A 78 18.885 -9.117 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.028 -6.271 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.676 -7.622 -0.732 1.00 0.00 H new ATOM 1193 N LEU A 79 16.808 -6.169 -0.995 1.00 0.00 N ATOM 1194 CA LEU A 79 15.614 -6.025 -1.820 1.00 0.00 C ATOM 1195 C LEU A 79 15.869 -5.042 -2.960 1.00 0.00 C ATOM 1196 O LEU A 79 16.413 -3.958 -2.747 1.00 0.00 O ATOM 1197 CB LEU A 79 14.445 -5.527 -0.965 1.00 0.00 C ATOM 1198 CG LEU A 79 13.146 -5.577 -1.776 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.564 -6.994 -1.739 1.00 0.00 C ATOM 1200 CD2 LEU A 79 12.135 -4.600 -1.173 1.00 0.00 C ATOM 0 H LEU A 79 16.979 -5.394 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 79 15.365 -6.999 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.349 -6.143 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.636 -4.507 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 79 13.356 -5.301 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.641 -7.023 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.282 -7.694 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.355 -7.275 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.210 -4.633 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.930 -4.880 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.544 -3.590 -1.201 1.00 0.00 H new ATOM 1212 N THR A 80 15.475 -5.430 -4.168 1.00 0.00 N ATOM 1213 CA THR A 80 15.667 -4.573 -5.333 1.00 0.00 C ATOM 1214 C THR A 80 14.332 -4.280 -6.012 1.00 0.00 C ATOM 1215 O THR A 80 13.315 -4.905 -5.706 1.00 0.00 O ATOM 1216 CB THR A 80 16.621 -5.244 -6.326 1.00 0.00 C ATOM 1217 OG1 THR A 80 15.970 -6.347 -6.936 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.870 -5.730 -5.590 1.00 0.00 C ATOM 0 H THR A 80 15.025 -6.324 -4.366 1.00 0.00 H new ATOM 0 HA THR A 80 16.101 -3.630 -5.000 1.00 0.00 H new ATOM 0 HB THR A 80 16.911 -4.525 -7.092 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.973 -6.232 -7.909 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.547 -6.207 -6.298 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.371 -4.881 -5.124 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.583 -6.448 -4.822 1.00 0.00 H new ATOM 1226 N ASP A 81 14.342 -3.315 -6.924 1.00 0.00 N ATOM 1227 CA ASP A 81 13.130 -2.926 -7.638 1.00 0.00 C ATOM 1228 C ASP A 81 12.459 -4.127 -8.299 1.00 0.00 C ATOM 1229 O ASP A 81 11.233 -4.183 -8.395 1.00 0.00 O ATOM 1230 CB ASP A 81 13.469 -1.884 -8.706 1.00 0.00 C ATOM 1231 CG ASP A 81 13.877 -0.572 -8.045 1.00 0.00 C ATOM 1232 OD1 ASP A 81 13.634 -0.430 -6.858 1.00 0.00 O ATOM 1233 OD2 ASP A 81 14.423 0.273 -8.735 1.00 0.00 O ATOM 0 H ASP A 81 15.174 -2.788 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 81 12.436 -2.504 -6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.279 -2.249 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.607 -1.722 -9.354 1.00 0.00 H new ATOM 1238 N VAL A 82 13.259 -5.079 -8.765 1.00 0.00 N ATOM 1239 CA VAL A 82 12.710 -6.259 -9.426 1.00 0.00 C ATOM 1240 C VAL A 82 11.590 -6.873 -8.590 1.00 0.00 C ATOM 1241 O VAL A 82 10.585 -7.336 -9.130 1.00 0.00 O ATOM 1242 CB VAL A 82 13.811 -7.298 -9.652 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.082 -8.057 -8.351 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.362 -8.288 -10.730 1.00 0.00 C ATOM 0 H VAL A 82 14.277 -5.060 -8.699 1.00 0.00 H new ATOM 0 HA VAL A 82 12.302 -5.951 -10.389 1.00 0.00 H new ATOM 0 HB VAL A 82 14.722 -6.792 -9.972 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.866 -8.795 -8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.401 -7.356 -7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.171 -8.561 -8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.145 -9.029 -10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.450 -8.789 -10.407 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.171 -7.752 -11.660 1.00 0.00 H new ATOM 1254 N HIS A 83 11.763 -6.870 -7.273 1.00 0.00 N ATOM 1255 CA HIS A 83 10.751 -7.425 -6.382 1.00 0.00 C ATOM 1256 C HIS A 83 9.420 -6.712 -6.585 1.00 0.00 C ATOM 1257 O HIS A 83 8.367 -7.347 -6.656 1.00 0.00 O ATOM 1258 CB HIS A 83 11.198 -7.277 -4.926 1.00 0.00 C ATOM 1259 CG HIS A 83 12.424 -8.115 -4.691 1.00 0.00 C ATOM 1260 ND1 HIS A 83 13.706 -7.609 -4.840 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.581 -9.427 -4.316 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.570 -8.601 -4.558 1.00 0.00 C ATOM 1263 NE2 HIS A 83 13.936 -9.732 -4.233 1.00 0.00 N ATOM 0 H HIS A 83 12.586 -6.493 -6.802 1.00 0.00 H new ATOM 0 HA HIS A 83 10.625 -8.483 -6.614 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.411 -6.231 -4.704 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.397 -7.588 -4.255 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.775 -10.117 -4.116 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.644 -8.496 -4.590 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.355 -10.626 -3.979 1.00 0.00 H new ATOM 1271 N PHE A 84 9.476 -5.388 -6.685 1.00 0.00 N ATOM 1272 CA PHE A 84 8.271 -4.593 -6.888 1.00 0.00 C ATOM 1273 C PHE A 84 7.582 -4.995 -8.188 1.00 0.00 C ATOM 1274 O PHE A 84 6.363 -5.157 -8.234 1.00 0.00 O ATOM 1275 CB PHE A 84 8.633 -3.107 -6.938 1.00 0.00 C ATOM 1276 CG PHE A 84 7.373 -2.279 -7.023 1.00 0.00 C ATOM 1277 CD1 PHE A 84 6.682 -1.935 -5.856 1.00 0.00 C ATOM 1278 CD2 PHE A 84 6.899 -1.854 -8.269 1.00 0.00 C ATOM 1279 CE1 PHE A 84 5.516 -1.165 -5.935 1.00 0.00 C ATOM 1280 CE2 PHE A 84 5.732 -1.085 -8.349 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.040 -0.740 -7.182 1.00 0.00 C ATOM 0 H PHE A 84 10.338 -4.846 -6.629 1.00 0.00 H new ATOM 0 HA PHE A 84 7.590 -4.774 -6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.202 -2.831 -6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.270 -2.907 -7.799 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.048 -2.264 -4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.434 -2.119 -9.169 1.00 0.00 H new ATOM 0 HE1 PHE A 84 4.983 -0.898 -5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.366 -0.758 -9.311 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.140 -0.147 -7.243 1.00 0.00 H new ATOM 1291 N ASP A 85 8.374 -5.156 -9.242 1.00 0.00 N ATOM 1292 CA ASP A 85 7.837 -5.541 -10.541 1.00 0.00 C ATOM 1293 C ASP A 85 7.137 -6.895 -10.458 1.00 0.00 C ATOM 1294 O ASP A 85 6.122 -7.119 -11.116 1.00 0.00 O ATOM 1295 CB ASP A 85 8.965 -5.610 -11.571 1.00 0.00 C ATOM 1296 CG ASP A 85 8.385 -5.825 -12.965 1.00 0.00 C ATOM 1297 OD1 ASP A 85 8.005 -4.845 -13.585 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.330 -6.967 -13.393 1.00 0.00 O ATOM 0 H ASP A 85 9.386 -5.027 -9.223 1.00 0.00 H new ATOM 0 HA ASP A 85 7.109 -4.790 -10.847 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.547 -4.688 -11.548 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.647 -6.423 -11.322 1.00 0.00 H new ATOM 1303 N ALA A 86 7.693 -7.796 -9.654 1.00 0.00 N ATOM 1304 CA ALA A 86 7.118 -9.128 -9.506 1.00 0.00 C ATOM 1305 C ALA A 86 5.749 -9.063 -8.834 1.00 0.00 C ATOM 1306 O ALA A 86 4.748 -9.493 -9.407 1.00 0.00 O ATOM 1307 CB ALA A 86 8.052 -10.009 -8.674 1.00 0.00 C ATOM 0 H ALA A 86 8.533 -7.630 -9.100 1.00 0.00 H new ATOM 0 HA ALA A 86 6.996 -9.556 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.616 -11.002 -8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.018 -10.088 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.188 -9.565 -7.688 1.00 0.00 H new ATOM 1313 N ILE A 87 5.708 -8.527 -7.618 1.00 0.00 N ATOM 1314 CA ILE A 87 4.449 -8.421 -6.890 1.00 0.00 C ATOM 1315 C ILE A 87 3.475 -7.511 -7.633 1.00 0.00 C ATOM 1316 O ILE A 87 2.262 -7.718 -7.590 1.00 0.00 O ATOM 1317 CB ILE A 87 4.698 -7.877 -5.480 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.447 -8.086 -4.621 1.00 0.00 C ATOM 1319 CG2 ILE A 87 5.022 -6.384 -5.552 1.00 0.00 C ATOM 1320 CD1 ILE A 87 3.797 -7.862 -3.149 1.00 0.00 C ATOM 0 H ILE A 87 6.521 -8.164 -7.121 1.00 0.00 H new ATOM 0 HA ILE A 87 4.010 -9.416 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 87 5.539 -8.408 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.662 -7.395 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.059 -9.094 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.198 -6.001 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.915 -6.234 -6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.184 -5.851 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.907 -8.010 -2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.568 -8.571 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.165 -6.845 -3.013 1.00 0.00 H new ATOM 1332 N ALA A 88 4.015 -6.508 -8.317 1.00 0.00 N ATOM 1333 CA ALA A 88 3.181 -5.579 -9.070 1.00 0.00 C ATOM 1334 C ALA A 88 2.514 -6.292 -10.242 1.00 0.00 C ATOM 1335 O ALA A 88 1.335 -6.075 -10.526 1.00 0.00 O ATOM 1336 CB ALA A 88 4.032 -4.419 -9.591 1.00 0.00 C ATOM 0 H ALA A 88 5.016 -6.319 -8.366 1.00 0.00 H new ATOM 0 HA ALA A 88 2.408 -5.191 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.402 -3.729 -10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.485 -3.894 -8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.816 -4.806 -10.242 1.00 0.00 H new ATOM 1342 N GLU A 89 3.277 -7.145 -10.917 1.00 0.00 N ATOM 1343 CA GLU A 89 2.752 -7.888 -12.055 1.00 0.00 C ATOM 1344 C GLU A 89 1.608 -8.795 -11.617 1.00 0.00 C ATOM 1345 O GLU A 89 0.635 -8.980 -12.347 1.00 0.00 O ATOM 1346 CB GLU A 89 3.862 -8.731 -12.686 1.00 0.00 C ATOM 1347 CG GLU A 89 3.338 -9.396 -13.960 1.00 0.00 C ATOM 1348 CD GLU A 89 4.401 -10.321 -14.542 1.00 0.00 C ATOM 1349 OE1 GLU A 89 5.458 -10.428 -13.942 1.00 0.00 O ATOM 1350 OE2 GLU A 89 4.144 -10.909 -15.580 1.00 0.00 O ATOM 0 H GLU A 89 4.254 -7.338 -10.697 1.00 0.00 H new ATOM 0 HA GLU A 89 2.377 -7.176 -12.790 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.722 -8.103 -12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.202 -9.489 -11.981 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.433 -9.962 -13.738 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.066 -8.635 -14.692 1.00 0.00 H new ATOM 1357 N ASN A 90 1.733 -9.360 -10.420 1.00 0.00 N ATOM 1358 CA ASN A 90 0.703 -10.248 -9.895 1.00 0.00 C ATOM 1359 C ASN A 90 -0.642 -9.533 -9.841 1.00 0.00 C ATOM 1360 O ASN A 90 -1.682 -10.126 -10.122 1.00 0.00 O ATOM 1361 CB ASN A 90 1.090 -10.722 -8.494 1.00 0.00 C ATOM 1362 CG ASN A 90 2.349 -11.580 -8.563 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.712 -12.064 -9.634 1.00 0.00 O ATOM 1364 ND2 ASN A 90 3.039 -11.799 -7.477 1.00 0.00 N ATOM 0 H ASN A 90 2.531 -9.220 -9.800 1.00 0.00 H new ATOM 0 HA ASN A 90 0.616 -11.109 -10.558 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.260 -9.863 -7.845 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.273 -11.295 -8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.882 -12.373 -7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.736 -11.396 -6.590 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.614 -8.255 -9.478 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.841 -7.471 -9.395 1.00 0.00 C ATOM 1373 C LEU A 91 -2.519 -7.395 -10.758 1.00 0.00 C ATOM 1374 O LEU A 91 -3.744 -7.479 -10.858 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.525 -6.058 -8.899 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.829 -5.284 -8.686 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.614 -5.899 -7.524 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.507 -3.823 -8.363 1.00 0.00 C ATOM 0 H LEU A 91 0.236 -7.744 -9.239 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.517 -7.959 -8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.963 -6.106 -7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.897 -5.540 -9.623 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.429 -5.336 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.541 -5.344 -7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.846 -6.939 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.015 -5.852 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.435 -3.271 -8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.904 -3.775 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.953 -3.381 -9.191 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.717 -7.236 -11.805 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.253 -7.151 -13.160 1.00 0.00 C ATOM 1392 C VAL A 92 -2.907 -8.468 -13.566 1.00 0.00 C ATOM 1393 O VAL A 92 -3.994 -8.479 -14.143 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.132 -6.812 -14.143 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -1.666 -6.889 -15.574 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.621 -5.397 -13.866 1.00 0.00 C ATOM 0 H VAL A 92 -0.701 -7.164 -11.744 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.008 -6.365 -13.182 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.316 -7.524 -14.021 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.866 -6.647 -16.274 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.030 -7.897 -15.773 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.483 -6.178 -15.696 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.178 -5.155 -14.567 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.437 -4.685 -13.987 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.239 -5.341 -12.847 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.236 -9.575 -13.262 1.00 0.00 N ATOM 1407 CA LEU A 93 -2.761 -10.893 -13.603 1.00 0.00 C ATOM 1408 C LEU A 93 -4.068 -11.161 -12.864 1.00 0.00 C ATOM 1409 O LEU A 93 -4.969 -11.812 -13.393 1.00 0.00 O ATOM 1410 CB LEU A 93 -1.738 -11.974 -13.241 1.00 0.00 C ATOM 1411 CG LEU A 93 -0.420 -11.704 -13.974 1.00 0.00 C ATOM 1412 CD1 LEU A 93 0.580 -12.815 -13.649 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -0.669 -11.675 -15.483 1.00 0.00 C ATOM 0 H LEU A 93 -1.335 -9.587 -12.784 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.953 -10.918 -14.676 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.571 -11.984 -12.164 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.122 -12.957 -13.513 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.018 -10.743 -13.653 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.518 -12.624 -14.170 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.760 -12.839 -12.574 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.175 -13.774 -13.971 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.269 -11.483 -16.003 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.071 -12.636 -15.804 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.383 -10.886 -15.719 1.00 0.00 H new ATOM 1425 N THR A 94 -4.165 -10.659 -11.637 1.00 0.00 N ATOM 1426 CA THR A 94 -5.366 -10.858 -10.835 1.00 0.00 C ATOM 1427 C THR A 94 -6.595 -10.322 -11.563 1.00 0.00 C ATOM 1428 O THR A 94 -7.655 -10.949 -11.556 1.00 0.00 O ATOM 1429 CB THR A 94 -5.218 -10.146 -9.489 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.029 -10.588 -8.849 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.425 -10.466 -8.605 1.00 0.00 C ATOM 0 H THR A 94 -3.433 -10.116 -11.180 1.00 0.00 H new ATOM 0 HA THR A 94 -5.495 -11.928 -10.669 1.00 0.00 H new ATOM 0 HB THR A 94 -5.165 -9.069 -9.651 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.250 -10.228 -9.322 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.319 -9.958 -7.646 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.336 -10.126 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.481 -11.542 -8.441 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.448 -9.160 -12.191 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.556 -8.552 -12.918 1.00 0.00 C ATOM 1441 C LEU A 95 -7.990 -9.444 -14.077 1.00 0.00 C ATOM 1442 O LEU A 95 -9.178 -9.542 -14.385 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.140 -7.180 -13.455 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.664 -6.295 -12.299 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -6.319 -4.903 -12.830 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.776 -6.175 -11.254 1.00 0.00 C ATOM 0 H LEU A 95 -5.580 -8.624 -12.211 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.394 -8.434 -12.231 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.344 -7.293 -14.191 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.980 -6.708 -13.965 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.781 -6.742 -11.843 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.980 -4.273 -12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.527 -4.984 -13.575 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.203 -4.458 -13.287 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.436 -5.545 -10.432 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.659 -5.729 -11.712 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.026 -7.165 -10.873 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.021 -10.094 -14.716 1.00 0.00 N ATOM 1459 CA GLN A 96 -7.320 -10.976 -15.840 1.00 0.00 C ATOM 1460 C GLN A 96 -8.240 -12.109 -15.398 1.00 0.00 C ATOM 1461 O GLN A 96 -9.124 -12.531 -16.145 1.00 0.00 O ATOM 1462 CB GLN A 96 -6.025 -11.555 -16.410 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.175 -10.426 -16.995 1.00 0.00 C ATOM 1464 CD GLN A 96 -3.857 -10.982 -17.522 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -3.480 -12.107 -17.193 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -3.130 -10.258 -18.328 1.00 0.00 N ATOM 0 H GLN A 96 -6.031 -10.028 -14.478 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.824 -10.395 -16.612 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.471 -12.074 -15.628 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.252 -12.291 -17.181 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.718 -9.931 -17.800 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.982 -9.673 -16.231 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.444 -9.326 -18.600 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.248 -10.624 -18.687 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.028 -12.594 -14.179 1.00 0.00 N ATOM 1476 CA GLU A 97 -8.848 -13.675 -13.644 1.00 0.00 C ATOM 1477 C GLU A 97 -10.300 -13.226 -13.521 1.00 0.00 C ATOM 1478 O GLU A 97 -11.225 -14.023 -13.678 1.00 0.00 O ATOM 1479 CB GLU A 97 -8.321 -14.096 -12.272 1.00 0.00 C ATOM 1480 CG GLU A 97 -6.918 -14.689 -12.422 1.00 0.00 C ATOM 1481 CD GLU A 97 -6.406 -15.166 -11.067 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -7.051 -14.872 -10.074 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -5.375 -15.818 -11.042 1.00 0.00 O ATOM 0 H GLU A 97 -7.301 -12.259 -13.547 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.797 -14.524 -14.326 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.294 -13.237 -11.602 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.991 -14.829 -11.823 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.939 -15.521 -13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.240 -13.941 -12.833 1.00 0.00 H new ATOM 1490 N LEU A 98 -10.490 -11.940 -13.242 1.00 0.00 N ATOM 1491 CA LEU A 98 -11.830 -11.381 -13.101 1.00 0.00 C ATOM 1492 C LEU A 98 -12.446 -11.116 -14.471 1.00 0.00 C ATOM 1493 O LEU A 98 -13.593 -10.680 -14.571 1.00 0.00 O ATOM 1494 CB LEU A 98 -11.770 -10.073 -12.307 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.156 -10.337 -10.932 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -11.083 -9.029 -10.141 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -12.029 -11.335 -10.174 1.00 0.00 C ATOM 0 H LEU A 98 -9.735 -11.267 -13.109 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.450 -12.102 -12.568 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.176 -9.335 -12.846 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.771 -9.657 -12.196 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.152 -10.743 -11.055 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.645 -9.220 -9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.465 -8.311 -10.681 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.087 -8.623 -10.017 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.595 -11.526 -9.193 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.031 -10.924 -10.053 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.085 -12.268 -10.734 1.00 0.00 H new ATOM 1509 N ASN A 99 -11.676 -11.374 -15.522 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.159 -11.149 -16.879 1.00 0.00 C ATOM 1511 C ASN A 99 -12.497 -9.676 -17.079 1.00 0.00 C ATOM 1512 O ASN A 99 -13.578 -9.333 -17.557 1.00 0.00 O ATOM 1513 CB ASN A 99 -13.401 -12.003 -17.144 1.00 0.00 C ATOM 1514 CG ASN A 99 -13.644 -12.114 -18.646 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -12.821 -12.675 -19.368 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -14.731 -11.608 -19.161 1.00 0.00 N ATOM 0 H ASN A 99 -10.724 -11.736 -15.462 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.374 -11.433 -17.580 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.269 -12.996 -16.714 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.269 -11.558 -16.658 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.900 -11.677 -20.165 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -15.412 -11.143 -18.560 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.562 -8.809 -16.703 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.761 -7.372 -16.835 1.00 0.00 C ATOM 1525 C VAL A 100 -11.038 -6.845 -18.070 1.00 0.00 C ATOM 1526 O VAL A 100 -9.922 -7.264 -18.374 1.00 0.00 O ATOM 1527 CB VAL A 100 -11.238 -6.657 -15.587 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -11.520 -5.157 -15.699 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.942 -7.213 -14.347 1.00 0.00 C ATOM 0 H VAL A 100 -10.662 -9.077 -16.306 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.828 -7.177 -16.943 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.164 -6.820 -15.502 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.147 -4.649 -14.810 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.020 -4.758 -16.581 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.594 -4.994 -15.786 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.570 -6.704 -13.458 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.016 -7.050 -14.435 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.742 -8.281 -14.264 1.00 0.00 H new ATOM 1539 N SER A 101 -11.685 -5.927 -18.784 1.00 0.00 N ATOM 1540 CA SER A 101 -11.095 -5.357 -19.989 1.00 0.00 C ATOM 1541 C SER A 101 -9.691 -4.832 -19.703 1.00 0.00 C ATOM 1542 O SER A 101 -9.439 -4.240 -18.655 1.00 0.00 O ATOM 1543 CB SER A 101 -11.972 -4.219 -20.511 1.00 0.00 C ATOM 1544 OG SER A 101 -11.427 -3.725 -21.727 1.00 0.00 O ATOM 0 H SER A 101 -12.610 -5.565 -18.551 1.00 0.00 H new ATOM 0 HA SER A 101 -11.029 -6.140 -20.744 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.990 -4.574 -20.673 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.027 -3.419 -19.773 1.00 0.00 H new ATOM 0 HG SER A 101 -11.988 -2.996 -22.065 1.00 0.00 H new ATOM 1550 N GLN A 102 -8.783 -5.062 -20.645 1.00 0.00 N ATOM 1551 CA GLN A 102 -7.401 -4.620 -20.494 1.00 0.00 C ATOM 1552 C GLN A 102 -7.325 -3.106 -20.314 1.00 0.00 C ATOM 1553 O GLN A 102 -6.476 -2.604 -19.576 1.00 0.00 O ATOM 1554 CB GLN A 102 -6.588 -5.028 -21.724 1.00 0.00 C ATOM 1555 CG GLN A 102 -5.105 -4.751 -21.472 1.00 0.00 C ATOM 1556 CD GLN A 102 -4.555 -5.747 -20.456 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -4.799 -6.948 -20.567 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -3.824 -5.316 -19.464 1.00 0.00 N ATOM 0 H GLN A 102 -8.978 -5.550 -21.519 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.988 -5.096 -19.604 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.740 -6.086 -21.938 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.929 -4.473 -22.598 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.548 -4.827 -22.406 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.974 -3.733 -21.104 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.623 -4.320 -19.374 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.454 -5.975 -18.779 1.00 0.00 H new ATOM 1567 N ASP A 103 -8.204 -2.383 -20.999 1.00 0.00 N ATOM 1568 CA ASP A 103 -8.208 -0.926 -20.909 1.00 0.00 C ATOM 1569 C ASP A 103 -8.325 -0.474 -19.456 1.00 0.00 C ATOM 1570 O ASP A 103 -7.633 0.450 -19.028 1.00 0.00 O ATOM 1571 CB ASP A 103 -9.376 -0.357 -21.715 1.00 0.00 C ATOM 1572 CG ASP A 103 -9.156 -0.614 -23.203 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -8.053 -0.993 -23.562 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -10.094 -0.428 -23.960 1.00 0.00 O ATOM 0 H ASP A 103 -8.915 -2.775 -21.616 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.267 -0.556 -21.317 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.310 -0.817 -21.392 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.468 0.714 -21.532 1.00 0.00 H new ATOM 1579 N LEU A 104 -9.197 -1.131 -18.701 1.00 0.00 N ATOM 1580 CA LEU A 104 -9.382 -0.784 -17.298 1.00 0.00 C ATOM 1581 C LEU A 104 -8.123 -1.112 -16.503 1.00 0.00 C ATOM 1582 O LEU A 104 -7.741 -0.376 -15.592 1.00 0.00 O ATOM 1583 CB LEU A 104 -10.570 -1.553 -16.717 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.836 -1.227 -17.513 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -13.024 -1.978 -16.910 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -12.107 0.279 -17.453 1.00 0.00 C ATOM 0 H LEU A 104 -9.781 -1.899 -19.032 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.579 0.286 -17.229 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.373 -2.625 -16.751 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.710 -1.288 -15.669 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.698 -1.531 -18.551 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.926 -1.746 -17.476 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.835 -3.051 -16.951 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.159 -1.673 -15.872 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -13.009 0.509 -18.020 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.244 0.583 -16.415 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.262 0.818 -17.881 1.00 0.00 H new ATOM 1598 N ILE A 105 -7.482 -2.221 -16.858 1.00 0.00 N ATOM 1599 CA ILE A 105 -6.264 -2.641 -16.176 1.00 0.00 C ATOM 1600 C ILE A 105 -5.164 -1.600 -16.352 1.00 0.00 C ATOM 1601 O ILE A 105 -4.395 -1.333 -15.428 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.791 -3.985 -16.734 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.885 -5.035 -16.526 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.521 -4.423 -16.003 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -6.469 -6.346 -17.199 1.00 0.00 C ATOM 0 H ILE A 105 -7.784 -2.841 -17.609 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.483 -2.745 -15.113 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.580 -3.883 -17.799 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.050 -5.197 -15.461 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.827 -4.682 -16.945 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.184 -5.380 -16.401 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.741 -3.675 -16.148 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.731 -4.526 -14.938 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.248 -7.094 -17.051 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.326 -6.178 -18.266 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.537 -6.701 -16.759 1.00 0.00 H new ATOM 1617 N ASP A 106 -5.093 -1.019 -17.545 1.00 0.00 N ATOM 1618 CA ASP A 106 -4.080 -0.011 -17.833 1.00 0.00 C ATOM 1619 C ASP A 106 -4.193 1.157 -16.857 1.00 0.00 C ATOM 1620 O ASP A 106 -3.184 1.691 -16.397 1.00 0.00 O ATOM 1621 CB ASP A 106 -4.244 0.500 -19.265 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.909 -0.610 -20.255 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -3.365 -1.614 -19.825 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -4.201 -0.439 -21.426 1.00 0.00 O ATOM 0 H ASP A 106 -5.720 -1.227 -18.322 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.097 -0.469 -17.722 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.266 0.843 -19.423 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.591 1.357 -19.431 1.00 0.00 H new ATOM 1629 N GLU A 107 -5.424 1.545 -16.544 1.00 0.00 N ATOM 1630 CA GLU A 107 -5.648 2.650 -15.617 1.00 0.00 C ATOM 1631 C GLU A 107 -5.069 2.316 -14.247 1.00 0.00 C ATOM 1632 O GLU A 107 -4.512 3.181 -13.570 1.00 0.00 O ATOM 1633 CB GLU A 107 -7.148 2.926 -15.488 1.00 0.00 C ATOM 1634 CG GLU A 107 -7.367 4.179 -14.636 1.00 0.00 C ATOM 1635 CD GLU A 107 -6.881 5.413 -15.390 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -6.846 5.363 -16.608 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -6.552 6.389 -14.738 1.00 0.00 O ATOM 0 H GLU A 107 -6.273 1.117 -16.913 1.00 0.00 H new ATOM 0 HA GLU A 107 -5.149 3.538 -16.005 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.589 3.063 -16.475 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.648 2.071 -15.032 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.424 4.284 -14.393 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.831 4.085 -13.692 1.00 0.00 H new ATOM 1644 N VAL A 108 -5.200 1.056 -13.849 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.683 0.612 -12.559 1.00 0.00 C ATOM 1646 C VAL A 108 -3.161 0.712 -12.529 1.00 0.00 C ATOM 1647 O VAL A 108 -2.573 1.086 -11.514 1.00 0.00 O ATOM 1648 CB VAL A 108 -5.106 -0.834 -12.298 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -4.432 -1.342 -11.022 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.626 -0.898 -12.130 1.00 0.00 C ATOM 0 H VAL A 108 -5.657 0.327 -14.397 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.094 1.257 -11.782 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.805 -1.457 -13.140 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.734 -2.373 -10.837 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.349 -1.297 -11.140 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.732 -0.719 -10.179 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.928 -1.929 -11.944 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.926 -0.274 -11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.108 -0.537 -13.038 1.00 0.00 H new ATOM 1660 N VAL A 109 -2.531 0.370 -13.648 1.00 0.00 N ATOM 1661 CA VAL A 109 -1.076 0.418 -13.742 1.00 0.00 C ATOM 1662 C VAL A 109 -0.563 1.834 -13.498 1.00 0.00 C ATOM 1663 O VAL A 109 0.453 2.030 -12.831 1.00 0.00 O ATOM 1664 CB VAL A 109 -0.630 -0.055 -15.126 1.00 0.00 C ATOM 1665 CG1 VAL A 109 0.872 0.183 -15.289 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.926 -1.549 -15.272 1.00 0.00 C ATOM 0 H VAL A 109 -3.001 0.058 -14.498 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.661 -0.240 -12.978 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.171 0.502 -15.891 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.189 -0.155 -16.276 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.085 1.247 -15.183 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.414 -0.373 -14.524 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.609 -1.888 -16.258 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.384 -2.104 -14.506 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.996 -1.721 -15.156 1.00 0.00 H new ATOM 1676 N THR A 110 -1.267 2.817 -14.048 1.00 0.00 N ATOM 1677 CA THR A 110 -0.867 4.212 -13.889 1.00 0.00 C ATOM 1678 C THR A 110 -0.843 4.611 -12.416 1.00 0.00 C ATOM 1679 O THR A 110 0.062 5.318 -11.972 1.00 0.00 O ATOM 1680 CB THR A 110 -1.835 5.121 -14.649 1.00 0.00 C ATOM 1681 OG1 THR A 110 -1.905 4.707 -16.007 1.00 0.00 O ATOM 1682 CG2 THR A 110 -1.342 6.567 -14.579 1.00 0.00 C ATOM 0 H THR A 110 -2.111 2.677 -14.604 1.00 0.00 H new ATOM 0 HA THR A 110 0.138 4.325 -14.295 1.00 0.00 H new ATOM 0 HB THR A 110 -2.825 5.055 -14.198 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.526 5.288 -16.494 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.032 7.213 -15.121 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.290 6.884 -13.537 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.352 6.636 -15.029 1.00 0.00 H new ATOM 1690 N ILE A 111 -1.844 4.162 -11.663 1.00 0.00 N ATOM 1691 CA ILE A 111 -1.921 4.490 -10.243 1.00 0.00 C ATOM 1692 C ILE A 111 -0.662 4.033 -9.513 1.00 0.00 C ATOM 1693 O ILE A 111 -0.052 4.802 -8.768 1.00 0.00 O ATOM 1694 CB ILE A 111 -3.150 3.827 -9.621 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -4.413 4.353 -10.310 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -3.207 4.159 -8.128 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -5.630 3.563 -9.825 1.00 0.00 C ATOM 0 H ILE A 111 -2.605 3.577 -12.008 1.00 0.00 H new ATOM 0 HA ILE A 111 -2.005 5.572 -10.144 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.087 2.747 -9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.544 5.413 -10.091 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.315 4.261 -11.392 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.083 3.687 -7.683 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.307 3.788 -7.638 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.272 5.239 -7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.527 3.939 -10.316 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.499 2.508 -10.066 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.732 3.678 -8.746 1.00 0.00 H new ATOM 1709 N VAL A 112 -0.274 2.782 -9.734 1.00 0.00 N ATOM 1710 CA VAL A 112 0.921 2.240 -9.095 1.00 0.00 C ATOM 1711 C VAL A 112 2.171 2.677 -9.849 1.00 0.00 C ATOM 1712 O VAL A 112 3.283 2.613 -9.324 1.00 0.00 O ATOM 1713 CB VAL A 112 0.848 0.712 -9.054 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.408 0.282 -8.293 1.00 0.00 C ATOM 1715 CG2 VAL A 112 0.786 0.169 -10.482 1.00 0.00 C ATOM 0 H VAL A 112 -0.764 2.129 -10.345 1.00 0.00 H new ATOM 0 HA VAL A 112 0.973 2.623 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 112 1.731 0.319 -8.551 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.461 -0.806 -8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.368 0.671 -7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.291 0.674 -8.797 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.734 -0.919 -10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.099 0.562 -10.983 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.678 0.476 -11.027 1.00 0.00 H new ATOM 1725 N GLY A 113 1.977 3.119 -11.088 1.00 0.00 N ATOM 1726 CA GLY A 113 3.089 3.565 -11.919 1.00 0.00 C ATOM 1727 C GLY A 113 3.910 4.641 -11.214 1.00 0.00 C ATOM 1728 O GLY A 113 5.092 4.820 -11.503 1.00 0.00 O ATOM 0 H GLY A 113 1.063 3.178 -11.537 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.729 2.716 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.707 3.955 -12.862 1.00 0.00 H new ATOM 1732 N SER A 114 3.274 5.361 -10.296 1.00 0.00 N ATOM 1733 CA SER A 114 3.959 6.422 -9.566 1.00 0.00 C ATOM 1734 C SER A 114 5.390 6.009 -9.234 1.00 0.00 C ATOM 1735 O SER A 114 5.617 5.096 -8.439 1.00 0.00 O ATOM 1736 CB SER A 114 3.205 6.739 -8.275 1.00 0.00 C ATOM 1737 OG SER A 114 1.922 7.260 -8.596 1.00 0.00 O ATOM 0 H SER A 114 2.295 5.232 -10.041 1.00 0.00 H new ATOM 0 HA SER A 114 3.987 7.310 -10.197 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.103 5.839 -7.669 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.765 7.461 -7.681 1.00 0.00 H new ATOM 0 HG SER A 114 1.277 6.525 -8.661 1.00 0.00 H new ATOM 1743 N VAL A 115 6.351 6.689 -9.851 1.00 0.00 N ATOM 1744 CA VAL A 115 7.762 6.393 -9.623 1.00 0.00 C ATOM 1745 C VAL A 115 8.165 6.717 -8.187 1.00 0.00 C ATOM 1746 O VAL A 115 8.995 6.028 -7.595 1.00 0.00 O ATOM 1747 CB VAL A 115 8.629 7.203 -10.587 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.103 7.011 -10.230 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.387 6.721 -12.020 1.00 0.00 C ATOM 0 H VAL A 115 6.180 7.447 -10.511 1.00 0.00 H new ATOM 0 HA VAL A 115 7.915 5.328 -9.797 1.00 0.00 H new ATOM 0 HB VAL A 115 8.369 8.259 -10.509 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.722 7.588 -10.917 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.278 7.353 -9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.362 5.955 -10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.005 7.299 -12.707 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.647 5.665 -12.098 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.336 6.856 -12.277 1.00 0.00 H new ATOM 1759 N GLN A 116 7.584 7.780 -7.639 1.00 0.00 N ATOM 1760 CA GLN A 116 7.905 8.197 -6.279 1.00 0.00 C ATOM 1761 C GLN A 116 7.796 7.024 -5.308 1.00 0.00 C ATOM 1762 O GLN A 116 8.641 6.860 -4.427 1.00 0.00 O ATOM 1763 CB GLN A 116 6.954 9.311 -5.839 1.00 0.00 C ATOM 1764 CG GLN A 116 7.409 9.869 -4.490 1.00 0.00 C ATOM 1765 CD GLN A 116 6.419 10.922 -4.001 1.00 0.00 C ATOM 1766 OE1 GLN A 116 6.066 11.836 -4.745 1.00 0.00 O ATOM 1767 NE2 GLN A 116 5.947 10.846 -2.787 1.00 0.00 N ATOM 0 H GLN A 116 6.894 8.364 -8.112 1.00 0.00 H new ATOM 0 HA GLN A 116 8.932 8.563 -6.269 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.937 10.105 -6.586 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.937 8.926 -5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.485 9.063 -3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.402 10.308 -4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.241 10.087 -2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.284 11.545 -2.453 1.00 0.00 H new ATOM 1776 N HIS A 117 6.759 6.210 -5.472 1.00 0.00 N ATOM 1777 CA HIS A 117 6.571 5.059 -4.595 1.00 0.00 C ATOM 1778 C HIS A 117 7.739 4.090 -4.740 1.00 0.00 C ATOM 1779 O HIS A 117 8.257 3.572 -3.752 1.00 0.00 O ATOM 1780 CB HIS A 117 5.261 4.345 -4.931 1.00 0.00 C ATOM 1781 CG HIS A 117 4.984 3.293 -3.891 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.319 3.468 -2.558 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.389 2.059 -3.969 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.927 2.366 -1.891 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.351 1.473 -2.705 1.00 0.00 N ATOM 0 H HIS A 117 6.045 6.322 -6.192 1.00 0.00 H new ATOM 0 HA HIS A 117 6.528 5.412 -3.565 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.441 5.063 -4.965 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.326 3.888 -5.918 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.779 4.284 -2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.007 1.609 -4.874 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.061 2.220 -0.829 1.00 0.00 H new ATOM 1793 N ARG A 118 8.149 3.852 -5.981 1.00 0.00 N ATOM 1794 CA ARG A 118 9.261 2.947 -6.246 1.00 0.00 C ATOM 1795 C ARG A 118 10.525 3.433 -5.542 1.00 0.00 C ATOM 1796 O ARG A 118 11.287 2.637 -4.993 1.00 0.00 O ATOM 1797 CB ARG A 118 9.513 2.861 -7.752 1.00 0.00 C ATOM 1798 CG ARG A 118 10.619 1.842 -8.029 1.00 0.00 C ATOM 1799 CD ARG A 118 10.912 1.804 -9.530 1.00 0.00 C ATOM 1800 NE ARG A 118 11.889 0.764 -9.828 1.00 0.00 N ATOM 1801 CZ ARG A 118 12.527 0.734 -10.994 1.00 0.00 C ATOM 1802 NH1 ARG A 118 12.282 1.646 -11.895 1.00 0.00 N ATOM 1803 NH2 ARG A 118 13.399 -0.206 -11.237 1.00 0.00 N ATOM 0 H ARG A 118 7.732 4.269 -6.813 1.00 0.00 H new ATOM 0 HA ARG A 118 9.003 1.959 -5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.598 2.569 -8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.800 3.839 -8.139 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.521 2.109 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.314 0.855 -7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.991 1.617 -10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.290 2.772 -9.858 1.00 0.00 H new ATOM 0 HE ARG A 118 12.087 0.047 -9.130 1.00 0.00 H new ATOM 0 HH11 ARG A 118 11.601 2.381 -11.704 1.00 0.00 H new ATOM 0 HH12 ARG A 118 12.771 1.623 -12.790 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.591 -0.918 -10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.888 -0.229 -12.132 1.00 0.00 H new ATOM 1817 N ASN A 119 10.740 4.745 -5.566 1.00 0.00 N ATOM 1818 CA ASN A 119 11.915 5.331 -4.931 1.00 0.00 C ATOM 1819 C ASN A 119 11.944 5.008 -3.440 1.00 0.00 C ATOM 1820 O ASN A 119 13.010 4.785 -2.864 1.00 0.00 O ATOM 1821 CB ASN A 119 11.909 6.848 -5.126 1.00 0.00 C ATOM 1822 CG ASN A 119 12.031 7.182 -6.609 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.446 6.339 -7.405 1.00 0.00 O ATOM 1824 ND2 ASN A 119 11.693 8.370 -7.032 1.00 0.00 N ATOM 0 H ASN A 119 10.120 5.419 -6.015 1.00 0.00 H new ATOM 0 HA ASN A 119 12.804 4.906 -5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 119 10.989 7.271 -4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.735 7.297 -4.574 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.773 8.600 -8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.349 9.068 -6.372 1.00 0.00 H new ATOM 1831 N ASP A 120 10.768 4.990 -2.819 1.00 0.00 N ATOM 1832 CA ASP A 120 10.675 4.697 -1.393 1.00 0.00 C ATOM 1833 C ASP A 120 11.248 3.317 -1.088 1.00 0.00 C ATOM 1834 O ASP A 120 11.909 3.124 -0.069 1.00 0.00 O ATOM 1835 CB ASP A 120 9.216 4.760 -0.935 1.00 0.00 C ATOM 1836 CG ASP A 120 8.700 6.191 -1.039 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.514 7.082 -1.216 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.498 6.375 -0.941 1.00 0.00 O ATOM 0 H ASP A 120 9.875 5.173 -3.276 1.00 0.00 H new ATOM 0 HA ASP A 120 11.255 5.445 -0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.604 4.098 -1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 120 9.133 4.408 0.093 1.00 0.00 H new ATOM 1843 N VAL A 121 10.994 2.361 -1.974 1.00 0.00 N ATOM 1844 CA VAL A 121 11.495 1.006 -1.779 1.00 0.00 C ATOM 1845 C VAL A 121 13.022 0.998 -1.768 1.00 0.00 C ATOM 1846 O VAL A 121 13.643 0.347 -0.929 1.00 0.00 O ATOM 1847 CB VAL A 121 10.984 0.092 -2.894 1.00 0.00 C ATOM 1848 CG1 VAL A 121 11.670 -1.271 -2.793 1.00 0.00 C ATOM 1849 CG2 VAL A 121 9.471 -0.088 -2.751 1.00 0.00 C ATOM 0 H VAL A 121 10.450 2.497 -2.826 1.00 0.00 H new ATOM 0 HA VAL A 121 11.133 0.639 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 121 11.208 0.540 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.305 -1.922 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.748 -1.144 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.446 -1.720 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.105 -0.739 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.248 -0.536 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.981 0.883 -2.823 1.00 0.00 H new ATOM 1859 N LEU A 122 13.616 1.728 -2.705 1.00 0.00 N ATOM 1860 CA LEU A 122 15.070 1.804 -2.798 1.00 0.00 C ATOM 1861 C LEU A 122 15.657 2.511 -1.579 1.00 0.00 C ATOM 1862 O LEU A 122 16.780 2.223 -1.167 1.00 0.00 O ATOM 1863 CB LEU A 122 15.476 2.549 -4.071 1.00 0.00 C ATOM 1864 CG LEU A 122 14.967 1.786 -5.297 1.00 0.00 C ATOM 1865 CD1 LEU A 122 15.330 2.560 -6.567 1.00 0.00 C ATOM 1866 CD2 LEU A 122 15.622 0.404 -5.346 1.00 0.00 C ATOM 0 H LEU A 122 13.117 2.273 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 122 15.462 0.788 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.064 3.558 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.561 2.648 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 122 13.885 1.677 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 122 14.968 2.017 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 122 14.868 3.547 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 122 16.413 2.668 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 122 15.260 -0.140 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.704 0.516 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 122 15.369 -0.151 -4.442 1.00 0.00 H new ATOM 1878 N ASN A 123 14.895 3.444 -1.015 1.00 0.00 N ATOM 1879 CA ASN A 123 15.353 4.195 0.151 1.00 0.00 C ATOM 1880 C ASN A 123 16.628 4.967 -0.174 1.00 0.00 C ATOM 1881 O ASN A 123 17.575 4.977 0.613 1.00 0.00 O ATOM 1882 CB ASN A 123 15.617 3.252 1.328 1.00 0.00 C ATOM 1883 CG ASN A 123 14.345 2.499 1.698 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.271 3.094 1.775 1.00 0.00 O ATOM 1885 ND2 ASN A 123 14.403 1.217 1.938 1.00 0.00 N ATOM 0 H ASN A 123 13.963 3.697 -1.344 1.00 0.00 H new ATOM 0 HA ASN A 123 14.568 4.900 0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.404 2.544 1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 123 15.973 3.822 2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.557 0.707 2.190 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.295 0.726 1.873 1.00 0.00 H new ATOM 1892 N ARG A 124 16.648 5.614 -1.336 1.00 0.00 N ATOM 1893 CA ARG A 124 17.817 6.385 -1.745 1.00 0.00 C ATOM 1894 C ARG A 124 17.933 7.660 -0.917 1.00 0.00 C ATOM 1895 O ARG A 124 16.937 8.057 -0.334 1.00 0.00 O ATOM 1896 CB ARG A 124 17.718 6.747 -3.228 1.00 0.00 C ATOM 1897 CG ARG A 124 17.760 5.471 -4.071 1.00 0.00 C ATOM 1898 CD ARG A 124 17.758 5.839 -5.556 1.00 0.00 C ATOM 1899 NE ARG A 124 19.024 6.465 -5.922 1.00 0.00 N ATOM 1900 CZ ARG A 124 19.290 6.790 -7.183 1.00 0.00 C ATOM 1901 NH1 ARG A 124 18.411 6.552 -8.118 1.00 0.00 N ATOM 1902 NH2 ARG A 124 20.430 7.348 -7.487 1.00 0.00 N ATOM 1903 OXT ARG A 124 19.016 8.220 -0.877 1.00 0.00 O ATOM 0 H ARG A 124 15.877 5.620 -2.004 1.00 0.00 H new ATOM 0 HA ARG A 124 18.704 5.774 -1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.793 7.291 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 124 18.539 7.407 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 124 18.652 4.893 -3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 124 16.900 4.842 -3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 124 17.598 4.945 -6.159 1.00 0.00 H new ATOM 0 HD3 ARG A 124 16.933 6.519 -5.768 1.00 0.00 H new ATOM 0 HE ARG A 124 19.717 6.656 -5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 124 17.520 6.116 -7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 124 18.615 6.802 -9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 124 21.117 7.535 -6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 124 20.634 7.597 -8.455 1.00 0.00 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 5.149 -2.152 2.627 1.00 0.00 FE HETATM 1919 CHA HEB A 125 4.905 -2.228 6.002 1.00 0.00 C HETATM 1920 CHB HEB A 125 3.108 0.546 2.540 1.00 0.00 C HETATM 1921 CHC HEB A 125 5.394 -2.087 -0.753 1.00 0.00 C HETATM 1922 CHD HEB A 125 7.162 -4.874 2.710 1.00 0.00 C HETATM 1923 NA HEB A 125 4.214 -1.077 3.973 1.00 0.00 N HETATM 1924 C1A HEB A 125 4.222 -1.238 5.344 1.00 0.00 C HETATM 1925 C2A HEB A 125 3.410 -0.241 5.999 1.00 0.00 C HETATM 1926 C3A HEB A 125 2.892 0.537 5.019 1.00 0.00 C HETATM 1927 C4A HEB A 125 3.399 0.015 3.772 1.00 0.00 C HETATM 1928 CMA HEB A 125 1.962 1.693 5.192 1.00 0.00 C HETATM 1929 CAA HEB A 125 3.200 -0.085 7.469 1.00 0.00 C HETATM 1930 CBA HEB A 125 2.099 -1.005 8.003 1.00 0.00 C HETATM 1931 CGA HEB A 125 1.655 -0.538 9.385 1.00 0.00 C HETATM 1932 O1A HEB A 125 2.299 -0.914 10.350 1.00 0.00 O HETATM 1933 O2A HEB A 125 0.677 0.188 9.458 1.00 0.00 O HETATM 1934 NB HEB A 125 4.414 -1.015 1.206 1.00 0.00 N HETATM 1935 C1B HEB A 125 3.577 0.071 1.342 1.00 0.00 C HETATM 1936 C2B HEB A 125 3.247 0.653 0.070 1.00 0.00 C HETATM 1937 C3B HEB A 125 3.880 -0.077 -0.875 1.00 0.00 C HETATM 1938 C4B HEB A 125 4.610 -1.117 -0.161 1.00 0.00 C HETATM 1939 CMB HEB A 125 2.384 1.845 -0.163 1.00 0.00 C HETATM 1940 CAB HEB A 125 3.785 0.143 -2.356 1.00 0.00 C HETATM 1941 CBB HEB A 125 2.339 0.096 -2.854 1.00 0.00 C HETATM 1942 NC HEB A 125 6.073 -3.233 1.284 1.00 0.00 N HETATM 1943 C1C HEB A 125 6.073 -3.071 -0.084 1.00 0.00 C HETATM 1944 C2C HEB A 125 6.878 -4.072 -0.735 1.00 0.00 C HETATM 1945 C3C HEB A 125 7.376 -4.860 0.242 1.00 0.00 C HETATM 1946 C4C HEB A 125 6.875 -4.336 1.485 1.00 0.00 C HETATM 1947 CMC HEB A 125 7.110 -4.214 -2.200 1.00 0.00 C HETATM 1948 CAC HEB A 125 8.204 -5.952 0.081 1.00 0.00 C HETATM 1949 CBC HEB A 125 7.790 -7.058 -0.633 1.00 0.00 C HETATM 1950 ND HEB A 125 5.872 -3.300 4.045 1.00 0.00 N HETATM 1951 C1D HEB A 125 6.697 -4.401 3.916 1.00 0.00 C HETATM 1952 C2D HEB A 125 7.011 -4.983 5.208 1.00 0.00 C HETATM 1953 C3D HEB A 125 6.373 -4.219 6.132 1.00 0.00 C HETATM 1954 C4D HEB A 125 5.675 -3.190 5.405 1.00 0.00 C HETATM 1955 CMD HEB A 125 7.862 -6.187 5.477 1.00 0.00 C HETATM 1956 CAD HEB A 125 6.393 -4.383 7.618 1.00 0.00 C HETATM 1957 CBD HEB A 125 7.287 -3.348 8.303 1.00 0.00 C HETATM 1958 CGD HEB A 125 6.968 -3.289 9.793 1.00 0.00 C HETATM 1959 O1D HEB A 125 5.998 -2.639 10.145 1.00 0.00 O HETATM 1960 O2D HEB A 125 7.699 -3.894 10.559 1.00 0.00 O HETATM 0 HMD3 HEB A 125 7.432 -7.055 4.978 1.00 0.00 H new HETATM 0 HMD2 HEB A 125 8.869 -6.013 5.098 1.00 0.00 H new HETATM 0 HMD1 HEB A 125 7.905 -6.370 6.551 1.00 0.00 H new HETATM 0 HMC3 HEB A 125 6.157 -4.372 -2.706 1.00 0.00 H new HETATM 0 HMC2 HEB A 125 7.579 -3.308 -2.584 1.00 0.00 H new HETATM 0 HMC1 HEB A 125 7.764 -5.067 -2.384 1.00 0.00 H new HETATM 0 HMB3 HEB A 125 1.386 1.654 0.230 1.00 0.00 H new HETATM 0 HMB2 HEB A 125 2.814 2.710 0.343 1.00 0.00 H new HETATM 0 HMB1 HEB A 125 2.321 2.045 -1.233 1.00 0.00 H new HETATM 0 HMA3 HEB A 125 1.045 1.354 5.674 1.00 0.00 H new HETATM 0 HMA2 HEB A 125 2.438 2.453 5.811 1.00 0.00 H new HETATM 0 HMA1 HEB A 125 1.723 2.117 4.217 1.00 0.00 H new HETATM 0 HBD2 HEB A 125 8.336 -3.607 8.157 1.00 0.00 H new HETATM 0 HBD1 HEB A 125 7.135 -2.368 7.851 1.00 0.00 H new HETATM 0 HBC2 HEB A 125 8.457 -7.912 -0.750 1.00 0.00 H new HETATM 0 HBC1 HEB A 125 6.796 -7.078 -1.080 1.00 0.00 H new HETATM 0 HBB3 HEB A 125 1.908 -0.879 -2.628 1.00 0.00 H new HETATM 0 HBB2 HEB A 125 1.758 0.873 -2.358 1.00 0.00 H new HETATM 0 HBB1 HEB A 125 2.320 0.260 -3.931 1.00 0.00 H new HETATM 0 HBA2 HEB A 125 1.250 -1.005 7.320 1.00 0.00 H new HETATM 0 HBA1 HEB A 125 2.465 -2.030 8.056 1.00 0.00 H new HETATM 0 HAD2 HEB A 125 5.378 -4.296 8.005 1.00 0.00 H new HETATM 0 HAD1 HEB A 125 6.744 -5.385 7.866 1.00 0.00 H new HETATM 0 HAA2 HEB A 125 4.133 -0.298 7.991 1.00 0.00 H new HETATM 0 HAA1 HEB A 125 2.942 0.951 7.688 1.00 0.00 H new HETATM 0 HHD HEB A 125 7.812 -5.749 2.733 1.00 0.00 H new HETATM 0 HHC HEB A 125 5.480 -2.068 -1.839 1.00 0.00 H new HETATM 0 HHB HEB A 125 2.451 1.415 2.512 1.00 0.00 H new HETATM 0 HHA HEB A 125 4.829 -2.251 7.089 1.00 0.00 H new HETATM 0 HAC HEB A 125 9.200 -5.941 0.524 1.00 0.00 H new HETATM 0 HAB HEB A 125 4.371 -0.617 -2.873 1.00 0.00 H new