USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 THR OG1 : rot 180:sc= 0.0467 USER MOD Set 1.2: A 108 LYS NZ :NH3+ -106:sc= 0.0406 (180deg=-0.149) USER MOD Set 2.1: A 86 ASN : amide:sc= 0.591 K(o=1.7,f=-1) USER MOD Set 2.2: A 104 THR OG1 : rot -115:sc= 1.11 USER MOD Set 3.1: A 72 HIS : no HE2:sc= -5.54! C(o=-14!,f=-17!) USER MOD Set 3.2: A 74 HIS : no HE2:sc= -8.21! C(o=-14!,f=-16!) USER MOD Set 4.1: A 43 LYS NZ :NH3+ 167:sc= 0.151 (180deg=-0.0534) USER MOD Set 4.2: A 55 ASN :FLIP amide:sc= 0.506 F(o=-0.15,f=0.66) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -5.89! C(o=-6.7!,f=-5.9!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0112) USER MOD Single : A 9 HIS : no HD1:sc= -3.01! C(o=-3!,f=-8.6!) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.03! C(o=-3.3!,f=-2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.391 F(o=-0.94,f=-0.39) USER MOD Single : A 28 SER OG : rot 70:sc= 0.896 USER MOD Single : A 29 ASN :FLIP amide:sc= -3.64! C(o=-6.3!,f=-3.6!) USER MOD Single : A 31 THR OG1 : rot 137:sc= -2.2 USER MOD Single : A 32 THR OG1 : rot -129:sc= 0.539 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -140:sc= -0.718 USER MOD Single : A 45 SER OG : rot -170:sc= -0.231 USER MOD Single : A 47 ASN : amide:sc= 0.228 K(o=0.23,f=-0.38) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 173:sc= -0.231 (180deg=-0.307) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 56 LYS NZ :NH3+ 145:sc= -0.294 (180deg=-1.2!) USER MOD Single : A 57 TYR OH : rot -14:sc= 0.265 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00621 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.0499 (180deg=-0.284) USER MOD Single : A 70 THR OG1 : rot 37:sc= 0.409 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0301) USER MOD Single : A 83 HIS : no HE2:sc= -6.54! C(o=-6.5!,f=-11!) USER MOD Single : A 88 THR OG1 : rot 78:sc= 1.55 USER MOD Single : A 89 TYR OH : rot -95:sc= -0.985! USER MOD Single : A 90 MET CE :methyl -169:sc= -4.66! (180deg=-6.16!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0.0595 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -6.077 -9.881 5.525 1.00 0.59 N ATOM 2 CA HIS A 3 -5.041 -9.031 6.075 1.00 0.46 C ATOM 3 C HIS A 3 -5.078 -7.690 5.368 1.00 0.43 C ATOM 4 O HIS A 3 -5.089 -7.634 4.141 1.00 0.47 O ATOM 5 CB HIS A 3 -3.656 -9.663 5.902 1.00 0.45 C ATOM 6 CG HIS A 3 -2.536 -8.678 6.039 1.00 0.42 C ATOM 7 ND1 HIS A 3 -1.644 -8.226 5.124 1.00 0.47 N flip ATOM 8 CD2 HIS A 3 -2.251 -8.009 7.210 1.00 0.45 C flip ATOM 9 CE1 HIS A 3 -0.854 -7.295 5.754 1.00 0.52 C flip ATOM 10 NE2 HIS A 3 -1.242 -7.185 7.010 1.00 0.51 N flip ATOM 0 HA HIS A 3 -5.224 -8.903 7.142 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -3.529 -10.453 6.643 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -3.599 -10.134 4.921 1.00 0.45 H new ATOM 0 HD2 HIS A 3 -2.773 -8.140 8.146 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -0.047 -6.743 5.296 1.00 0.52 H new ATOM 0 HE2 HIS A 3 -0.830 -6.566 7.709 1.00 0.51 H new ATOM 19 N LYS A 4 -5.066 -6.623 6.132 1.00 0.40 N ATOM 20 CA LYS A 4 -5.089 -5.297 5.557 1.00 0.39 C ATOM 21 C LYS A 4 -4.024 -4.426 6.201 1.00 0.35 C ATOM 22 O LYS A 4 -3.720 -4.577 7.386 1.00 0.43 O ATOM 23 CB LYS A 4 -6.472 -4.676 5.738 1.00 0.54 C ATOM 24 CG LYS A 4 -6.847 -4.439 7.196 1.00 0.90 C ATOM 25 CD LYS A 4 -8.105 -3.596 7.335 1.00 1.13 C ATOM 26 CE LYS A 4 -8.419 -3.325 8.800 1.00 1.92 C ATOM 27 NZ LYS A 4 -9.576 -2.404 8.974 1.00 2.36 N ATOM 0 H LYS A 4 -5.040 -6.646 7.151 1.00 0.40 H new ATOM 0 HA LYS A 4 -4.875 -5.368 4.491 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -6.508 -3.727 5.203 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -7.217 -5.328 5.281 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -6.998 -5.398 7.691 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -6.021 -3.943 7.706 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -7.975 -2.652 6.806 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -8.945 -4.110 6.868 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -8.631 -4.268 9.303 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -7.541 -2.896 9.283 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -9.749 -2.252 9.988 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -9.366 -1.493 8.518 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -10.422 -2.823 8.538 1.00 2.36 H new ATOM 41 N VAL A 5 -3.425 -3.547 5.419 1.00 0.31 N ATOM 42 CA VAL A 5 -2.500 -2.577 5.970 1.00 0.33 C ATOM 43 C VAL A 5 -3.057 -1.167 5.864 1.00 0.27 C ATOM 44 O VAL A 5 -3.611 -0.782 4.847 1.00 0.29 O ATOM 45 CB VAL A 5 -1.088 -2.659 5.328 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.390 -1.310 5.344 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.247 -3.680 6.070 1.00 0.49 C ATOM 0 H VAL A 5 -3.561 -3.485 4.410 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.383 -2.828 7.024 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.208 -2.964 4.288 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.595 -1.405 4.887 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -0.982 -0.587 4.783 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.281 -0.969 6.373 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.743 -3.735 5.617 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -0.152 -3.383 7.114 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.727 -4.657 6.013 1.00 0.49 H new ATOM 57 N THR A 6 -2.953 -0.443 6.962 1.00 0.41 N ATOM 58 CA THR A 6 -3.249 0.975 7.005 1.00 0.33 C ATOM 59 C THR A 6 -1.983 1.749 7.379 1.00 0.37 C ATOM 60 O THR A 6 -0.979 1.131 7.734 1.00 0.51 O ATOM 61 CB THR A 6 -4.399 1.297 7.977 1.00 0.36 C ATOM 62 OG1 THR A 6 -4.318 0.473 9.147 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.745 1.096 7.298 1.00 0.36 C ATOM 0 H THR A 6 -2.657 -0.828 7.859 1.00 0.41 H new ATOM 0 HA THR A 6 -3.582 1.284 6.014 1.00 0.33 H new ATOM 0 HB THR A 6 -4.306 2.341 8.275 1.00 0.36 H new ATOM 0 HG1 THR A 6 -5.056 0.693 9.754 1.00 0.51 H new ATOM 0 HG21 THR A 6 -6.545 1.328 8.001 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.818 1.756 6.433 1.00 0.36 H new ATOM 0 HG23 THR A 6 -5.837 0.060 6.973 1.00 0.36 H new ATOM 71 N LYS A 7 -2.041 3.079 7.265 1.00 0.30 N ATOM 72 CA LYS A 7 -0.869 3.968 7.384 1.00 0.28 C ATOM 73 C LYS A 7 0.193 3.511 8.401 1.00 0.27 C ATOM 74 O LYS A 7 1.371 3.482 8.068 1.00 0.32 O ATOM 75 CB LYS A 7 -1.321 5.384 7.749 1.00 0.27 C ATOM 76 CG LYS A 7 -0.175 6.383 7.835 1.00 0.28 C ATOM 77 CD LYS A 7 0.304 6.830 6.459 1.00 0.42 C ATOM 78 CE LYS A 7 1.805 7.104 6.455 1.00 0.35 C ATOM 79 NZ LYS A 7 2.190 8.176 7.415 1.00 0.83 N ATOM 0 H LYS A 7 -2.911 3.580 7.085 1.00 0.30 H new ATOM 0 HA LYS A 7 -0.391 3.937 6.405 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -2.040 5.730 7.006 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -1.841 5.356 8.707 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -0.497 7.254 8.406 1.00 0.28 H new ATOM 0 HG3 LYS A 7 0.656 5.934 8.379 1.00 0.28 H new ATOM 0 HD2 LYS A 7 0.071 6.060 5.723 1.00 0.42 H new ATOM 0 HD3 LYS A 7 -0.233 7.730 6.160 1.00 0.42 H new ATOM 0 HE2 LYS A 7 2.339 6.187 6.705 1.00 0.35 H new ATOM 0 HE3 LYS A 7 2.116 7.391 5.451 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 3.204 8.384 7.315 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 1.639 9.035 7.215 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 1.996 7.858 8.386 1.00 0.83 H new ATOM 93 N ALA A 8 -0.213 3.164 9.625 1.00 0.25 N ATOM 94 CA ALA A 8 0.744 2.840 10.700 1.00 0.26 C ATOM 95 C ALA A 8 1.700 1.711 10.313 1.00 0.23 C ATOM 96 O ALA A 8 2.867 1.681 10.734 1.00 0.24 O ATOM 97 CB ALA A 8 0.006 2.470 11.973 1.00 0.33 C ATOM 0 H ALA A 8 -1.193 3.099 9.901 1.00 0.25 H new ATOM 0 HA ALA A 8 1.343 3.735 10.868 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.727 2.234 12.756 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -0.614 3.308 12.291 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -0.626 1.601 11.788 1.00 0.33 H new ATOM 103 N HIS A 9 1.218 0.797 9.480 1.00 0.23 N ATOM 104 CA HIS A 9 2.031 -0.326 9.025 1.00 0.23 C ATOM 105 C HIS A 9 3.209 0.159 8.190 1.00 0.23 C ATOM 106 O HIS A 9 4.024 -0.650 7.745 1.00 0.25 O ATOM 107 CB HIS A 9 1.220 -1.317 8.206 1.00 0.28 C ATOM 108 CG HIS A 9 0.142 -2.035 8.954 1.00 0.89 C ATOM 109 ND1 HIS A 9 -1.155 -1.591 8.975 1.00 0.97 N ATOM 110 CD2 HIS A 9 0.141 -3.223 9.606 1.00 1.63 C ATOM 111 CE1 HIS A 9 -1.914 -2.477 9.590 1.00 1.69 C ATOM 112 NE2 HIS A 9 -1.153 -3.476 9.988 1.00 2.12 N ATOM 0 H HIS A 9 0.269 0.810 9.106 1.00 0.23 H new ATOM 0 HA HIS A 9 2.397 -0.829 9.920 1.00 0.23 H new ATOM 0 HB2 HIS A 9 0.767 -0.786 7.369 1.00 0.28 H new ATOM 0 HB3 HIS A 9 1.900 -2.056 7.783 1.00 0.28 H new ATOM 0 HD2 HIS A 9 0.998 -3.853 9.791 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -2.980 -2.397 9.742 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -1.472 -4.301 10.496 1.00 2.12 H new ATOM 121 N ASN A 10 3.267 1.481 7.968 1.00 0.22 N ATOM 122 CA ASN A 10 4.422 2.153 7.361 1.00 0.24 C ATOM 123 C ASN A 10 5.726 1.653 7.992 1.00 0.24 C ATOM 124 O ASN A 10 6.803 1.777 7.409 1.00 0.26 O ATOM 125 CB ASN A 10 4.290 3.682 7.540 1.00 0.31 C ATOM 126 CG ASN A 10 5.519 4.457 7.089 1.00 0.56 C ATOM 127 OD1 ASN A 10 5.530 4.879 5.834 1.00 1.41 O flip ATOM 128 ND2 ASN A 10 6.441 4.697 7.871 1.00 0.96 N flip ATOM 0 H ASN A 10 2.507 2.117 8.207 1.00 0.22 H new ATOM 0 HA ASN A 10 4.446 1.921 6.296 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.424 4.032 6.978 1.00 0.31 H new ATOM 0 HB3 ASN A 10 4.098 3.901 8.590 1.00 0.31 H new ATOM 0 HD21 ASN A 10 6.397 4.355 8.831 1.00 0.96 H new ATOM 0 HD22 ASN A 10 7.247 5.237 7.558 1.00 0.96 H new ATOM 135 N GLY A 11 5.601 1.067 9.178 1.00 0.25 N ATOM 136 CA GLY A 11 6.732 0.454 9.840 1.00 0.26 C ATOM 137 C GLY A 11 6.314 -0.801 10.576 1.00 0.25 C ATOM 138 O GLY A 11 6.451 -0.886 11.797 1.00 0.30 O ATOM 0 H GLY A 11 4.724 1.007 9.696 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.500 0.211 9.106 1.00 0.26 H new ATOM 0 HA3 GLY A 11 7.175 1.161 10.542 1.00 0.26 H new ATOM 142 N ALA A 12 5.767 -1.764 9.841 1.00 0.24 N ATOM 143 CA ALA A 12 5.231 -2.980 10.451 1.00 0.27 C ATOM 144 C ALA A 12 5.915 -4.249 9.947 1.00 0.28 C ATOM 145 O ALA A 12 6.347 -4.320 8.802 1.00 0.31 O ATOM 146 CB ALA A 12 3.744 -3.073 10.167 1.00 0.32 C ATOM 0 H ALA A 12 5.682 -1.728 8.825 1.00 0.24 H new ATOM 0 HA ALA A 12 5.421 -2.910 11.522 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.343 -3.979 10.621 1.00 0.32 H new ATOM 0 HB2 ALA A 12 3.238 -2.203 10.586 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.581 -3.104 9.090 1.00 0.32 H new ATOM 152 N THR A 13 5.998 -5.242 10.829 1.00 0.39 N ATOM 153 CA THR A 13 6.395 -6.599 10.465 1.00 0.44 C ATOM 154 C THR A 13 5.444 -7.597 11.132 1.00 0.56 C ATOM 155 O THR A 13 5.339 -7.634 12.359 1.00 0.95 O ATOM 156 CB THR A 13 7.844 -6.911 10.896 1.00 0.71 C ATOM 157 OG1 THR A 13 8.754 -5.981 10.295 1.00 0.89 O ATOM 158 CG2 THR A 13 8.235 -8.329 10.502 1.00 0.74 C ATOM 0 H THR A 13 5.791 -5.127 11.821 1.00 0.39 H new ATOM 0 HA THR A 13 6.343 -6.684 9.380 1.00 0.44 H new ATOM 0 HB THR A 13 7.897 -6.820 11.981 1.00 0.71 H new ATOM 0 HG1 THR A 13 9.669 -6.189 10.578 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.260 -8.524 10.817 1.00 0.74 H new ATOM 0 HG22 THR A 13 7.565 -9.039 10.987 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.160 -8.440 9.420 1.00 0.74 H new ATOM 166 N LEU A 14 4.737 -8.387 10.329 1.00 0.39 N ATOM 167 CA LEU A 14 3.729 -9.306 10.852 1.00 0.70 C ATOM 168 C LEU A 14 3.428 -10.420 9.848 1.00 0.35 C ATOM 169 O LEU A 14 3.799 -10.335 8.680 1.00 0.88 O ATOM 170 CB LEU A 14 2.431 -8.556 11.201 1.00 1.51 C ATOM 171 CG LEU A 14 1.608 -8.033 10.012 1.00 2.04 C ATOM 172 CD1 LEU A 14 0.264 -7.507 10.490 1.00 2.43 C ATOM 173 CD2 LEU A 14 2.353 -6.940 9.268 1.00 3.00 C ATOM 0 H LEU A 14 4.843 -8.410 9.315 1.00 0.39 H new ATOM 0 HA LEU A 14 4.133 -9.753 11.760 1.00 0.70 H new ATOM 0 HB2 LEU A 14 1.799 -9.221 11.789 1.00 1.51 H new ATOM 0 HB3 LEU A 14 2.685 -7.710 11.840 1.00 1.51 H new ATOM 0 HG LEU A 14 1.445 -8.865 9.327 1.00 2.04 H new ATOM 0 HD11 LEU A 14 -0.307 -7.140 9.637 1.00 2.43 H new ATOM 0 HD12 LEU A 14 -0.288 -8.310 10.978 1.00 2.43 H new ATOM 0 HD13 LEU A 14 0.423 -6.693 11.198 1.00 2.43 H new ATOM 0 HD21 LEU A 14 1.746 -6.590 8.433 1.00 3.00 H new ATOM 0 HD22 LEU A 14 2.552 -6.109 9.945 1.00 3.00 H new ATOM 0 HD23 LEU A 14 3.296 -7.335 8.891 1.00 3.00 H new ATOM 185 N THR A 15 2.750 -11.460 10.312 1.00 0.70 N ATOM 186 CA THR A 15 2.366 -12.574 9.462 1.00 0.74 C ATOM 187 C THR A 15 0.889 -12.485 9.104 1.00 0.82 C ATOM 188 O THR A 15 0.080 -11.980 9.888 1.00 1.21 O ATOM 189 CB THR A 15 2.631 -13.923 10.154 1.00 1.40 C ATOM 190 OG1 THR A 15 4.031 -14.065 10.419 1.00 1.55 O ATOM 191 CG2 THR A 15 2.139 -15.079 9.291 1.00 1.73 C ATOM 0 H THR A 15 2.453 -11.554 11.283 1.00 0.70 H new ATOM 0 HA THR A 15 2.970 -12.516 8.557 1.00 0.74 H new ATOM 0 HB THR A 15 2.083 -13.944 11.096 1.00 1.40 H new ATOM 0 HG1 THR A 15 4.195 -14.924 10.861 1.00 1.55 H new ATOM 0 HG21 THR A 15 2.337 -16.023 9.800 1.00 1.73 H new ATOM 0 HG22 THR A 15 1.067 -14.976 9.121 1.00 1.73 H new ATOM 0 HG23 THR A 15 2.661 -15.066 8.334 1.00 1.73 H new ATOM 199 N VAL A 16 0.539 -12.959 7.915 1.00 0.57 N ATOM 200 CA VAL A 16 -0.832 -12.874 7.446 1.00 0.64 C ATOM 201 C VAL A 16 -1.360 -14.237 7.020 1.00 0.59 C ATOM 202 O VAL A 16 -0.592 -15.141 6.692 1.00 0.59 O ATOM 203 CB VAL A 16 -0.945 -11.890 6.266 1.00 0.64 C ATOM 204 CG1 VAL A 16 -0.092 -10.669 6.542 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.540 -12.527 4.951 1.00 0.63 C ATOM 0 H VAL A 16 1.185 -13.404 7.263 1.00 0.57 H new ATOM 0 HA VAL A 16 -1.436 -12.511 8.278 1.00 0.64 H new ATOM 0 HB VAL A 16 -1.991 -11.597 6.172 1.00 0.64 H new ATOM 0 HG11 VAL A 16 -0.172 -9.973 5.707 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.437 -10.183 7.454 1.00 0.78 H new ATOM 0 HG13 VAL A 16 0.948 -10.972 6.664 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.636 -11.796 4.148 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.495 -12.864 5.013 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -1.187 -13.379 4.745 1.00 0.63 H new ATOM 215 N ALA A 17 -2.671 -14.384 7.063 1.00 0.63 N ATOM 216 CA ALA A 17 -3.330 -15.548 6.511 1.00 0.60 C ATOM 217 C ALA A 17 -4.130 -15.129 5.290 1.00 0.55 C ATOM 218 O ALA A 17 -5.118 -14.404 5.405 1.00 0.76 O ATOM 219 CB ALA A 17 -4.234 -16.171 7.555 1.00 0.75 C ATOM 0 H ALA A 17 -3.305 -13.702 7.480 1.00 0.63 H new ATOM 0 HA ALA A 17 -2.589 -16.290 6.215 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -4.727 -17.047 7.133 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -3.640 -16.470 8.419 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -4.986 -15.445 7.865 1.00 0.75 H new ATOM 225 N VAL A 18 -3.694 -15.569 4.125 1.00 0.54 N ATOM 226 CA VAL A 18 -4.293 -15.125 2.878 1.00 0.50 C ATOM 227 C VAL A 18 -5.448 -16.034 2.470 1.00 0.49 C ATOM 228 O VAL A 18 -5.919 -16.855 3.261 1.00 0.59 O ATOM 229 CB VAL A 18 -3.253 -15.080 1.742 1.00 0.58 C ATOM 230 CG1 VAL A 18 -2.041 -14.259 2.146 1.00 1.23 C ATOM 231 CG2 VAL A 18 -2.835 -16.480 1.335 1.00 1.12 C ATOM 0 H VAL A 18 -2.928 -16.233 4.015 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.674 -14.118 3.047 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.719 -14.599 0.882 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -1.323 -14.243 1.326 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -2.352 -13.240 2.375 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -1.577 -14.704 3.027 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -2.101 -16.421 0.532 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -2.396 -16.992 2.191 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -3.708 -17.034 0.989 1.00 1.12 H new ATOM 241 N GLY A 19 -5.903 -15.878 1.237 1.00 0.52 N ATOM 242 CA GLY A 19 -6.972 -16.707 0.724 1.00 0.55 C ATOM 243 C GLY A 19 -8.124 -15.869 0.230 1.00 0.59 C ATOM 244 O GLY A 19 -8.557 -16.003 -0.915 1.00 0.71 O ATOM 0 H GLY A 19 -5.547 -15.186 0.578 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -6.596 -17.328 -0.089 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -7.319 -17.382 1.506 1.00 0.55 H new ATOM 248 N GLU A 20 -8.622 -15.003 1.100 1.00 0.57 N ATOM 249 CA GLU A 20 -9.612 -14.019 0.707 1.00 0.64 C ATOM 250 C GLU A 20 -8.915 -12.898 -0.036 1.00 0.50 C ATOM 251 O GLU A 20 -9.149 -12.666 -1.224 1.00 0.50 O ATOM 252 CB GLU A 20 -10.313 -13.433 1.932 1.00 0.76 C ATOM 253 CG GLU A 20 -10.885 -14.471 2.877 1.00 0.96 C ATOM 254 CD GLU A 20 -11.536 -13.841 4.088 1.00 1.55 C ATOM 255 OE1 GLU A 20 -10.802 -13.353 4.973 1.00 2.35 O ATOM 256 OE2 GLU A 20 -12.784 -13.836 4.166 1.00 1.75 O ATOM 0 H GLU A 20 -8.354 -14.964 2.084 1.00 0.57 H new ATOM 0 HA GLU A 20 -10.356 -14.503 0.074 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -9.604 -12.811 2.479 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -11.119 -12.779 1.598 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -11.618 -15.078 2.347 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -10.090 -15.142 3.202 1.00 0.96 H new ATOM 263 N LEU A 21 -8.036 -12.223 0.688 1.00 0.45 N ATOM 264 CA LEU A 21 -7.308 -11.092 0.164 1.00 0.32 C ATOM 265 C LEU A 21 -6.144 -10.758 1.077 1.00 0.38 C ATOM 266 O LEU A 21 -6.064 -11.244 2.195 1.00 0.64 O ATOM 267 CB LEU A 21 -8.249 -9.883 0.039 1.00 0.39 C ATOM 268 CG LEU A 21 -7.611 -8.581 -0.452 1.00 0.44 C ATOM 269 CD1 LEU A 21 -7.178 -8.708 -1.901 1.00 0.56 C ATOM 270 CD2 LEU A 21 -8.574 -7.417 -0.278 1.00 0.71 C ATOM 0 H LEU A 21 -7.811 -12.449 1.657 1.00 0.45 H new ATOM 0 HA LEU A 21 -6.918 -11.341 -0.823 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -9.058 -10.147 -0.642 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -8.701 -9.698 1.014 1.00 0.39 H new ATOM 0 HG LEU A 21 -6.724 -8.385 0.151 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -6.727 -7.771 -2.229 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -6.450 -9.513 -1.994 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -8.046 -8.930 -2.522 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -8.104 -6.500 -0.632 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -9.480 -7.606 -0.853 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -8.829 -7.310 0.776 1.00 0.71 H new ATOM 282 N VAL A 22 -5.213 -9.986 0.572 1.00 0.27 N ATOM 283 CA VAL A 22 -4.235 -9.336 1.412 1.00 0.28 C ATOM 284 C VAL A 22 -3.999 -7.928 0.877 1.00 0.30 C ATOM 285 O VAL A 22 -3.416 -7.738 -0.187 1.00 0.37 O ATOM 286 CB VAL A 22 -2.923 -10.171 1.529 1.00 0.28 C ATOM 287 CG1 VAL A 22 -1.681 -9.291 1.559 1.00 0.40 C ATOM 288 CG2 VAL A 22 -2.980 -11.014 2.787 1.00 0.38 C ATOM 0 H VAL A 22 -5.111 -9.791 -0.424 1.00 0.27 H new ATOM 0 HA VAL A 22 -4.614 -9.262 2.431 1.00 0.28 H new ATOM 0 HB VAL A 22 -2.851 -10.806 0.646 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -0.793 -9.918 1.641 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -1.628 -8.705 0.641 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -1.732 -8.619 2.416 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -2.065 -11.600 2.874 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -3.079 -10.364 3.656 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -3.837 -11.685 2.737 1.00 0.38 H new ATOM 298 N GLU A 23 -4.510 -6.929 1.573 1.00 0.29 N ATOM 299 CA GLU A 23 -4.460 -5.586 1.030 1.00 0.36 C ATOM 300 C GLU A 23 -3.544 -4.680 1.811 1.00 0.27 C ATOM 301 O GLU A 23 -3.232 -4.911 2.981 1.00 0.37 O ATOM 302 CB GLU A 23 -5.843 -4.944 0.926 1.00 0.58 C ATOM 303 CG GLU A 23 -6.362 -4.291 2.202 1.00 0.96 C ATOM 304 CD GLU A 23 -7.582 -3.425 1.938 1.00 0.99 C ATOM 305 OE1 GLU A 23 -7.419 -2.261 1.491 1.00 1.06 O ATOM 306 OE2 GLU A 23 -8.711 -3.914 2.121 1.00 1.09 O ATOM 0 H GLU A 23 -4.952 -7.017 2.488 1.00 0.29 H new ATOM 0 HA GLU A 23 -4.056 -5.702 0.024 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -5.816 -4.191 0.138 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -6.556 -5.707 0.613 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -6.615 -5.063 2.928 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -5.574 -3.683 2.645 1.00 0.96 H new ATOM 313 N ILE A 24 -3.128 -3.640 1.125 1.00 0.25 N ATOM 314 CA ILE A 24 -2.277 -2.614 1.671 1.00 0.24 C ATOM 315 C ILE A 24 -2.854 -1.263 1.300 1.00 0.29 C ATOM 316 O ILE A 24 -2.730 -0.826 0.164 1.00 0.54 O ATOM 317 CB ILE A 24 -0.853 -2.708 1.090 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.260 -4.102 1.305 1.00 0.26 C ATOM 319 CG2 ILE A 24 0.040 -1.646 1.704 1.00 0.32 C ATOM 320 CD1 ILE A 24 -0.135 -4.484 2.757 1.00 0.27 C ATOM 0 H ILE A 24 -3.379 -3.483 0.149 1.00 0.25 H new ATOM 0 HA ILE A 24 -2.226 -2.742 2.752 1.00 0.24 H new ATOM 0 HB ILE A 24 -0.913 -2.533 0.016 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -0.885 -4.836 0.797 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.725 -4.145 0.840 1.00 0.26 H new ATOM 0 HG21 ILE A 24 1.042 -1.726 1.283 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.367 -0.658 1.487 1.00 0.32 H new ATOM 0 HG23 ILE A 24 0.087 -1.790 2.783 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.292 -5.484 2.835 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.514 -3.771 3.266 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -1.121 -4.474 3.222 1.00 0.27 H new ATOM 332 N GLN A 25 -3.493 -0.601 2.231 1.00 0.21 N ATOM 333 CA GLN A 25 -4.124 0.659 1.924 1.00 0.22 C ATOM 334 C GLN A 25 -3.446 1.811 2.642 1.00 0.20 C ATOM 335 O GLN A 25 -3.169 1.756 3.839 1.00 0.23 O ATOM 336 CB GLN A 25 -5.614 0.620 2.258 1.00 0.27 C ATOM 337 CG GLN A 25 -6.270 1.978 2.157 1.00 0.29 C ATOM 338 CD GLN A 25 -6.758 2.501 3.495 1.00 0.36 C ATOM 339 OE1 GLN A 25 -5.890 3.179 4.229 1.00 0.64 O flip ATOM 340 NE2 GLN A 25 -7.907 2.278 3.873 1.00 0.30 N flip ATOM 0 H GLN A 25 -3.590 -0.909 3.199 1.00 0.21 H new ATOM 0 HA GLN A 25 -4.016 0.825 0.852 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -6.116 -0.072 1.582 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.746 0.232 3.268 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.560 2.688 1.733 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.112 1.918 1.467 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -8.546 1.751 3.278 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -8.220 2.620 4.782 1.00 0.30 H new ATOM 349 N LEU A 26 -3.194 2.859 1.896 1.00 0.19 N ATOM 350 CA LEU A 26 -2.645 4.070 2.446 1.00 0.18 C ATOM 351 C LEU A 26 -3.715 5.143 2.442 1.00 0.22 C ATOM 352 O LEU A 26 -4.541 5.193 1.543 1.00 0.31 O ATOM 353 CB LEU A 26 -1.419 4.535 1.655 1.00 0.22 C ATOM 354 CG LEU A 26 -0.079 3.942 2.104 1.00 0.28 C ATOM 355 CD1 LEU A 26 0.177 4.239 3.575 1.00 0.77 C ATOM 356 CD2 LEU A 26 -0.029 2.445 1.844 1.00 0.85 C ATOM 0 H LEU A 26 -3.364 2.894 0.891 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.319 3.877 3.468 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -1.572 4.288 0.604 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.356 5.621 1.722 1.00 0.22 H new ATOM 0 HG LEU A 26 0.709 4.413 1.516 1.00 0.28 H new ATOM 0 HD11 LEU A 26 1.133 3.809 3.872 1.00 0.77 H new ATOM 0 HD12 LEU A 26 0.201 5.318 3.730 1.00 0.77 H new ATOM 0 HD13 LEU A 26 -0.620 3.803 4.178 1.00 0.77 H new ATOM 0 HD21 LEU A 26 0.933 2.051 2.172 1.00 0.85 H new ATOM 0 HD22 LEU A 26 -0.830 1.953 2.395 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.154 2.257 0.778 1.00 0.85 H new ATOM 368 N PRO A 27 -3.731 6.002 3.456 1.00 0.21 N ATOM 369 CA PRO A 27 -4.700 7.093 3.546 1.00 0.25 C ATOM 370 C PRO A 27 -4.277 8.276 2.696 1.00 0.26 C ATOM 371 O PRO A 27 -4.838 9.362 2.806 1.00 0.35 O ATOM 372 CB PRO A 27 -4.641 7.465 5.013 1.00 0.27 C ATOM 373 CG PRO A 27 -3.217 7.225 5.368 1.00 0.25 C ATOM 374 CD PRO A 27 -2.812 5.995 4.605 1.00 0.22 C ATOM 0 HA PRO A 27 -5.693 6.810 3.195 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -4.927 8.504 5.177 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.314 6.851 5.611 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -2.596 8.078 5.095 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -3.100 7.077 6.442 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -1.770 6.041 4.289 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -2.923 5.092 5.206 1.00 0.22 H new ATOM 382 N SER A 28 -3.254 8.044 1.880 1.00 0.22 N ATOM 383 CA SER A 28 -2.676 9.052 1.004 1.00 0.25 C ATOM 384 C SER A 28 -1.939 10.122 1.805 1.00 0.25 C ATOM 385 O SER A 28 -0.720 10.251 1.701 1.00 0.31 O ATOM 386 CB SER A 28 -3.752 9.676 0.098 1.00 0.35 C ATOM 387 OG SER A 28 -3.175 10.507 -0.891 1.00 0.91 O ATOM 0 H SER A 28 -2.797 7.135 1.809 1.00 0.22 H new ATOM 0 HA SER A 28 -1.945 8.559 0.363 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.330 8.885 -0.381 1.00 0.35 H new ATOM 0 HB3 SER A 28 -4.447 10.257 0.704 1.00 0.35 H new ATOM 0 HG SER A 28 -2.691 9.955 -1.540 1.00 0.91 H new ATOM 393 N ASN A 29 -2.670 10.823 2.648 1.00 0.29 N ATOM 394 CA ASN A 29 -2.138 11.964 3.391 1.00 0.36 C ATOM 395 C ASN A 29 -1.578 12.980 2.403 1.00 0.42 C ATOM 396 O ASN A 29 -0.386 13.281 2.437 1.00 0.48 O ATOM 397 CB ASN A 29 -1.014 11.557 4.357 1.00 0.42 C ATOM 398 CG ASN A 29 -1.201 10.203 5.015 1.00 0.60 C ATOM 399 OD1 ASN A 29 -0.485 9.202 4.511 1.00 1.39 O flip ATOM 400 ND2 ASN A 29 -1.941 10.064 5.989 1.00 0.39 N flip ATOM 0 H ASN A 29 -3.651 10.623 2.842 1.00 0.29 H new ATOM 0 HA ASN A 29 -2.955 12.385 3.978 1.00 0.36 H new ATOM 0 HB2 ASN A 29 -0.070 11.554 3.813 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -0.931 12.315 5.135 1.00 0.42 H new ATOM 0 HD21 ASN A 29 -2.473 10.859 6.343 1.00 0.39 H new ATOM 0 HD22 ASN A 29 -2.022 9.154 6.442 1.00 0.39 H new ATOM 407 N PRO A 30 -2.439 13.529 1.527 1.00 0.55 N ATOM 408 CA PRO A 30 -2.014 14.333 0.370 1.00 0.66 C ATOM 409 C PRO A 30 -1.068 15.460 0.743 1.00 0.72 C ATOM 410 O PRO A 30 -1.481 16.488 1.285 1.00 0.82 O ATOM 411 CB PRO A 30 -3.331 14.877 -0.181 1.00 0.83 C ATOM 412 CG PRO A 30 -4.323 13.850 0.223 1.00 0.82 C ATOM 413 CD PRO A 30 -3.904 13.429 1.596 1.00 0.75 C ATOM 0 HA PRO A 30 -1.448 13.741 -0.350 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -3.570 15.854 0.240 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -3.295 14.997 -1.264 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -5.334 14.257 0.226 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -4.321 13.006 -0.467 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -4.319 14.081 2.365 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.231 12.415 1.827 1.00 0.75 H new ATOM 421 N THR A 31 0.205 15.247 0.460 1.00 0.73 N ATOM 422 CA THR A 31 1.238 16.207 0.790 1.00 0.84 C ATOM 423 C THR A 31 1.316 17.283 -0.290 1.00 1.10 C ATOM 424 O THR A 31 1.515 18.465 -0.001 1.00 1.83 O ATOM 425 CB THR A 31 2.615 15.510 0.939 1.00 0.96 C ATOM 426 OG1 THR A 31 3.196 15.257 -0.348 1.00 1.60 O ATOM 427 CG2 THR A 31 2.474 14.180 1.674 1.00 0.81 C ATOM 0 H THR A 31 0.549 14.406 -0.004 1.00 0.73 H new ATOM 0 HA THR A 31 0.981 16.670 1.743 1.00 0.84 H new ATOM 0 HB THR A 31 3.258 16.179 1.511 1.00 0.96 H new ATOM 0 HG1 THR A 31 4.149 15.484 -0.327 1.00 1.60 H new ATOM 0 HG21 THR A 31 3.453 13.710 1.766 1.00 0.81 H new ATOM 0 HG22 THR A 31 2.060 14.355 2.667 1.00 0.81 H new ATOM 0 HG23 THR A 31 1.808 13.524 1.114 1.00 0.81 H new ATOM 435 N THR A 32 1.124 16.851 -1.533 1.00 1.19 N ATOM 436 CA THR A 32 1.217 17.713 -2.700 1.00 1.43 C ATOM 437 C THR A 32 0.957 16.862 -3.954 1.00 1.47 C ATOM 438 O THR A 32 0.141 15.941 -3.902 1.00 2.05 O ATOM 439 CB THR A 32 2.602 18.426 -2.755 1.00 1.62 C ATOM 440 OG1 THR A 32 2.707 19.261 -3.914 1.00 2.36 O ATOM 441 CG2 THR A 32 3.750 17.428 -2.739 1.00 1.32 C ATOM 0 H THR A 32 0.897 15.882 -1.757 1.00 1.19 H new ATOM 0 HA THR A 32 0.467 18.502 -2.645 1.00 1.43 H new ATOM 0 HB THR A 32 2.673 19.047 -1.862 1.00 1.62 H new ATOM 0 HG1 THR A 32 3.538 19.056 -4.391 1.00 2.36 H new ATOM 0 HG21 THR A 32 4.698 17.964 -2.779 1.00 1.32 H new ATOM 0 HG22 THR A 32 3.705 16.837 -1.825 1.00 1.32 H new ATOM 0 HG23 THR A 32 3.670 16.768 -3.602 1.00 1.32 H new ATOM 449 N GLY A 33 1.636 17.154 -5.062 1.00 1.30 N ATOM 450 CA GLY A 33 1.470 16.373 -6.288 1.00 1.26 C ATOM 451 C GLY A 33 1.867 14.912 -6.128 1.00 1.01 C ATOM 452 O GLY A 33 1.615 14.091 -7.007 1.00 1.27 O ATOM 0 H GLY A 33 2.303 17.922 -5.137 1.00 1.30 H new ATOM 0 HA2 GLY A 33 0.429 16.427 -6.607 1.00 1.26 H new ATOM 0 HA3 GLY A 33 2.070 16.821 -7.080 1.00 1.26 H new ATOM 456 N PHE A 34 2.510 14.610 -5.015 1.00 0.86 N ATOM 457 CA PHE A 34 2.937 13.257 -4.688 1.00 0.88 C ATOM 458 C PHE A 34 1.747 12.367 -4.323 1.00 0.79 C ATOM 459 O PHE A 34 0.730 12.849 -3.822 1.00 1.11 O ATOM 460 CB PHE A 34 3.917 13.308 -3.517 1.00 1.25 C ATOM 461 CG PHE A 34 5.232 13.958 -3.833 1.00 1.50 C ATOM 462 CD1 PHE A 34 5.287 15.144 -4.539 1.00 1.69 C ATOM 463 CD2 PHE A 34 6.415 13.371 -3.426 1.00 1.95 C ATOM 464 CE1 PHE A 34 6.488 15.734 -4.835 1.00 1.94 C ATOM 465 CE2 PHE A 34 7.624 13.956 -3.722 1.00 2.22 C ATOM 466 CZ PHE A 34 7.660 15.139 -4.426 1.00 2.08 C ATOM 0 H PHE A 34 2.754 15.301 -4.305 1.00 0.86 H new ATOM 0 HA PHE A 34 3.420 12.828 -5.566 1.00 0.88 H new ATOM 0 HB2 PHE A 34 3.450 13.845 -2.692 1.00 1.25 H new ATOM 0 HB3 PHE A 34 4.103 12.291 -3.171 1.00 1.25 H new ATOM 0 HD1 PHE A 34 4.370 15.613 -4.863 1.00 1.69 H new ATOM 0 HD2 PHE A 34 6.390 12.445 -2.871 1.00 1.95 H new ATOM 0 HE1 PHE A 34 6.515 16.662 -5.387 1.00 1.94 H new ATOM 0 HE2 PHE A 34 8.544 13.488 -3.403 1.00 2.22 H new ATOM 0 HZ PHE A 34 8.609 15.600 -4.657 1.00 2.08 H new ATOM 476 N ALA A 35 1.896 11.070 -4.574 1.00 0.44 N ATOM 477 CA ALA A 35 0.878 10.080 -4.232 1.00 0.37 C ATOM 478 C ALA A 35 1.541 8.725 -3.984 1.00 0.30 C ATOM 479 O ALA A 35 2.689 8.515 -4.400 1.00 0.30 O ATOM 480 CB ALA A 35 -0.141 9.968 -5.355 1.00 0.44 C ATOM 0 H ALA A 35 2.724 10.675 -5.020 1.00 0.44 H new ATOM 0 HA ALA A 35 0.363 10.396 -3.325 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -0.895 9.227 -5.089 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.620 10.935 -5.509 1.00 0.44 H new ATOM 0 HB3 ALA A 35 0.361 9.662 -6.273 1.00 0.44 H new ATOM 486 N TRP A 36 0.838 7.811 -3.308 1.00 0.26 N ATOM 487 CA TRP A 36 1.421 6.513 -2.971 1.00 0.21 C ATOM 488 C TRP A 36 1.389 5.564 -4.159 1.00 0.27 C ATOM 489 O TRP A 36 0.325 5.200 -4.661 1.00 0.43 O ATOM 490 CB TRP A 36 0.719 5.821 -1.791 1.00 0.20 C ATOM 491 CG TRP A 36 0.813 6.527 -0.478 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.109 7.357 0.083 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.885 6.428 0.459 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.328 7.779 1.312 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.550 7.225 1.566 1.00 0.17 C ATOM 496 CE3 TRP A 36 3.098 5.745 0.464 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.379 7.354 2.672 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.926 5.874 1.558 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.563 6.670 2.652 1.00 0.14 C ATOM 0 H TRP A 36 -0.121 7.944 -2.988 1.00 0.26 H new ATOM 0 HA TRP A 36 2.450 6.732 -2.684 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.335 5.696 -2.041 1.00 0.20 H new ATOM 0 HB3 TRP A 36 1.140 4.822 -1.677 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.046 7.641 -0.373 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.179 8.406 1.937 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.385 5.126 -0.373 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 2.100 7.970 3.514 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.871 5.352 1.572 1.00 0.13 H new ATOM 0 HH2 TRP A 36 4.232 6.745 3.497 1.00 0.14 H new ATOM 510 N TYR A 37 2.566 5.175 -4.603 1.00 0.27 N ATOM 511 CA TYR A 37 2.716 4.098 -5.564 1.00 0.34 C ATOM 512 C TYR A 37 3.659 3.078 -4.980 1.00 0.39 C ATOM 513 O TYR A 37 4.092 3.242 -3.859 1.00 0.78 O ATOM 514 CB TYR A 37 3.268 4.614 -6.888 1.00 0.53 C ATOM 515 CG TYR A 37 2.261 5.382 -7.695 1.00 0.61 C ATOM 516 CD1 TYR A 37 1.385 4.733 -8.552 1.00 1.42 C ATOM 517 CD2 TYR A 37 2.197 6.761 -7.599 1.00 0.90 C ATOM 518 CE1 TYR A 37 0.465 5.443 -9.297 1.00 2.10 C ATOM 519 CE2 TYR A 37 1.279 7.482 -8.341 1.00 1.47 C ATOM 520 CZ TYR A 37 0.385 6.781 -9.182 1.00 2.04 C ATOM 521 OH TYR A 37 -0.502 7.524 -9.931 1.00 2.78 O ATOM 0 H TYR A 37 3.447 5.596 -4.309 1.00 0.27 H new ATOM 0 HA TYR A 37 1.741 3.653 -5.764 1.00 0.34 H new ATOM 0 HB2 TYR A 37 4.128 5.254 -6.690 1.00 0.53 H new ATOM 0 HB3 TYR A 37 3.627 3.770 -7.477 1.00 0.53 H new ATOM 0 HD1 TYR A 37 1.423 3.657 -8.638 1.00 1.42 H new ATOM 0 HD2 TYR A 37 2.873 7.281 -6.936 1.00 0.90 H new ATOM 0 HE1 TYR A 37 -0.194 4.922 -9.976 1.00 2.10 H new ATOM 0 HE2 TYR A 37 1.246 8.560 -8.279 1.00 1.47 H new ATOM 0 HH TYR A 37 -0.408 8.472 -9.703 1.00 2.78 H new ATOM 531 N PHE A 38 3.964 2.022 -5.705 1.00 0.26 N ATOM 532 CA PHE A 38 5.041 1.140 -5.288 1.00 0.25 C ATOM 533 C PHE A 38 6.379 1.835 -5.498 1.00 0.32 C ATOM 534 O PHE A 38 6.948 2.394 -4.569 1.00 0.38 O ATOM 535 CB PHE A 38 5.021 -0.161 -6.066 1.00 0.27 C ATOM 536 CG PHE A 38 4.522 -1.350 -5.289 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.319 -1.949 -4.327 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.257 -1.872 -5.524 1.00 0.33 C ATOM 539 CE1 PHE A 38 4.867 -3.045 -3.614 1.00 0.41 C ATOM 540 CE2 PHE A 38 2.802 -2.968 -4.813 1.00 0.41 C ATOM 541 CZ PHE A 38 3.607 -3.558 -3.858 1.00 0.43 C ATOM 0 H PHE A 38 3.494 1.754 -6.570 1.00 0.26 H new ATOM 0 HA PHE A 38 4.901 0.909 -4.232 1.00 0.25 H new ATOM 0 HB2 PHE A 38 4.394 -0.031 -6.948 1.00 0.27 H new ATOM 0 HB3 PHE A 38 6.030 -0.373 -6.420 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.305 -1.555 -4.131 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.622 -1.418 -6.270 1.00 0.33 H new ATOM 0 HE1 PHE A 38 5.499 -3.500 -2.866 1.00 0.41 H new ATOM 0 HE2 PHE A 38 1.815 -3.363 -5.005 1.00 0.41 H new ATOM 0 HZ PHE A 38 3.254 -4.416 -3.305 1.00 0.43 H new ATOM 551 N GLU A 39 6.862 1.824 -6.734 1.00 0.40 N ATOM 552 CA GLU A 39 8.099 2.515 -7.075 1.00 0.51 C ATOM 553 C GLU A 39 7.791 3.805 -7.819 1.00 0.51 C ATOM 554 O GLU A 39 8.691 4.555 -8.196 1.00 0.61 O ATOM 555 CB GLU A 39 8.994 1.622 -7.935 1.00 0.61 C ATOM 556 CG GLU A 39 9.396 0.325 -7.253 1.00 1.11 C ATOM 557 CD GLU A 39 10.130 0.562 -5.950 1.00 1.75 C ATOM 558 OE1 GLU A 39 11.347 0.833 -5.992 1.00 2.39 O ATOM 559 OE2 GLU A 39 9.491 0.487 -4.879 1.00 2.19 O ATOM 0 H GLU A 39 6.416 1.345 -7.516 1.00 0.40 H new ATOM 0 HA GLU A 39 8.626 2.752 -6.151 1.00 0.51 H new ATOM 0 HB2 GLU A 39 8.474 1.388 -8.864 1.00 0.61 H new ATOM 0 HB3 GLU A 39 9.894 2.175 -8.204 1.00 0.61 H new ATOM 0 HG2 GLU A 39 8.505 -0.273 -7.062 1.00 1.11 H new ATOM 0 HG3 GLU A 39 10.030 -0.254 -7.924 1.00 1.11 H new ATOM 566 N GLY A 40 6.504 4.055 -8.021 1.00 0.51 N ATOM 567 CA GLY A 40 6.083 5.232 -8.751 1.00 0.55 C ATOM 568 C GLY A 40 5.682 4.900 -10.168 1.00 0.56 C ATOM 569 O GLY A 40 6.535 4.639 -11.014 1.00 0.73 O ATOM 0 H GLY A 40 5.743 3.461 -7.691 1.00 0.51 H new ATOM 0 HA2 GLY A 40 5.243 5.698 -8.236 1.00 0.55 H new ATOM 0 HA3 GLY A 40 6.893 5.961 -8.764 1.00 0.55 H new ATOM 573 N GLY A 41 4.380 4.890 -10.423 1.00 0.55 N ATOM 574 CA GLY A 41 3.883 4.512 -11.735 1.00 0.70 C ATOM 575 C GLY A 41 3.897 3.010 -11.935 1.00 0.61 C ATOM 576 O GLY A 41 3.503 2.509 -12.986 1.00 0.70 O ATOM 0 H GLY A 41 3.658 5.137 -9.746 1.00 0.55 H new ATOM 0 HA2 GLY A 41 2.866 4.885 -11.859 1.00 0.70 H new ATOM 0 HA3 GLY A 41 4.493 4.986 -12.504 1.00 0.70 H new ATOM 580 N THR A 42 4.359 2.297 -10.921 1.00 0.53 N ATOM 581 CA THR A 42 4.418 0.848 -10.956 1.00 0.51 C ATOM 582 C THR A 42 3.794 0.240 -9.726 1.00 0.43 C ATOM 583 O THR A 42 3.887 0.795 -8.631 1.00 0.44 O ATOM 584 CB THR A 42 5.854 0.333 -11.023 1.00 0.67 C ATOM 585 OG1 THR A 42 6.728 1.238 -10.330 1.00 1.13 O ATOM 586 CG2 THR A 42 6.312 0.149 -12.458 1.00 0.92 C ATOM 0 H THR A 42 4.703 2.707 -10.053 1.00 0.53 H new ATOM 0 HA THR A 42 3.871 0.557 -11.853 1.00 0.51 H new ATOM 0 HB THR A 42 5.889 -0.643 -10.539 1.00 0.67 H new ATOM 0 HG1 THR A 42 7.565 1.332 -10.831 1.00 1.13 H new ATOM 0 HG21 THR A 42 7.338 -0.218 -12.468 1.00 0.92 H new ATOM 0 HG22 THR A 42 5.664 -0.571 -12.957 1.00 0.92 H new ATOM 0 HG23 THR A 42 6.264 1.104 -12.981 1.00 0.92 H new ATOM 594 N LYS A 43 3.097 -0.859 -9.931 1.00 0.49 N ATOM 595 CA LYS A 43 2.670 -1.709 -8.842 1.00 0.46 C ATOM 596 C LYS A 43 2.692 -3.173 -9.272 1.00 0.55 C ATOM 597 O LYS A 43 2.166 -3.518 -10.329 1.00 0.75 O ATOM 598 CB LYS A 43 1.288 -1.297 -8.343 1.00 0.58 C ATOM 599 CG LYS A 43 0.423 -0.596 -9.381 1.00 1.15 C ATOM 600 CD LYS A 43 -0.111 -1.553 -10.434 1.00 1.41 C ATOM 601 CE LYS A 43 -0.425 -0.829 -11.734 1.00 1.96 C ATOM 602 NZ LYS A 43 -1.397 0.276 -11.540 1.00 2.52 N ATOM 0 H LYS A 43 2.812 -1.186 -10.854 1.00 0.49 H new ATOM 0 HA LYS A 43 3.368 -1.590 -8.013 1.00 0.46 H new ATOM 0 HB2 LYS A 43 0.763 -2.185 -7.992 1.00 0.58 H new ATOM 0 HB3 LYS A 43 1.408 -0.637 -7.484 1.00 0.58 H new ATOM 0 HG2 LYS A 43 -0.413 -0.106 -8.882 1.00 1.15 H new ATOM 0 HG3 LYS A 43 1.006 0.186 -9.867 1.00 1.15 H new ATOM 0 HD2 LYS A 43 0.623 -2.337 -10.621 1.00 1.41 H new ATOM 0 HD3 LYS A 43 -1.011 -2.041 -10.061 1.00 1.41 H new ATOM 0 HE2 LYS A 43 0.497 -0.430 -12.157 1.00 1.96 H new ATOM 0 HE3 LYS A 43 -0.826 -1.540 -12.456 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -1.416 0.875 -12.390 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 -2.344 -0.120 -11.375 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -1.113 0.848 -10.719 1.00 2.52 H new ATOM 616 N GLU A 44 3.320 -4.021 -8.479 1.00 0.48 N ATOM 617 CA GLU A 44 3.341 -5.448 -8.764 1.00 0.60 C ATOM 618 C GLU A 44 3.085 -6.269 -7.501 1.00 0.49 C ATOM 619 O GLU A 44 3.348 -5.818 -6.385 1.00 0.54 O ATOM 620 CB GLU A 44 4.678 -5.867 -9.393 1.00 0.83 C ATOM 621 CG GLU A 44 5.895 -5.666 -8.494 1.00 0.92 C ATOM 622 CD GLU A 44 6.311 -4.216 -8.363 1.00 1.48 C ATOM 623 OE1 GLU A 44 7.056 -3.727 -9.241 1.00 1.80 O ATOM 624 OE2 GLU A 44 5.906 -3.561 -7.379 1.00 2.30 O ATOM 0 H GLU A 44 3.822 -3.750 -7.634 1.00 0.48 H new ATOM 0 HA GLU A 44 2.540 -5.646 -9.477 1.00 0.60 H new ATOM 0 HB2 GLU A 44 4.619 -6.919 -9.672 1.00 0.83 H new ATOM 0 HB3 GLU A 44 4.825 -5.301 -10.313 1.00 0.83 H new ATOM 0 HG2 GLU A 44 5.676 -6.065 -7.503 1.00 0.92 H new ATOM 0 HG3 GLU A 44 6.731 -6.242 -8.892 1.00 0.92 H new ATOM 631 N SER A 45 2.557 -7.470 -7.687 1.00 0.61 N ATOM 632 CA SER A 45 2.376 -8.405 -6.588 1.00 0.55 C ATOM 633 C SER A 45 3.445 -9.488 -6.686 1.00 0.80 C ATOM 634 O SER A 45 3.640 -10.093 -7.742 1.00 1.15 O ATOM 635 CB SER A 45 0.975 -9.029 -6.641 1.00 0.83 C ATOM 636 OG SER A 45 0.698 -9.781 -5.470 1.00 1.61 O ATOM 0 H SER A 45 2.245 -7.820 -8.593 1.00 0.61 H new ATOM 0 HA SER A 45 2.473 -7.878 -5.639 1.00 0.55 H new ATOM 0 HB2 SER A 45 0.229 -8.243 -6.755 1.00 0.83 H new ATOM 0 HB3 SER A 45 0.895 -9.673 -7.516 1.00 0.83 H new ATOM 0 HG SER A 45 -0.128 -10.292 -5.597 1.00 1.61 H new ATOM 642 N PRO A 46 4.152 -9.737 -5.584 1.00 0.85 N ATOM 643 CA PRO A 46 5.300 -10.619 -5.535 1.00 1.17 C ATOM 644 C PRO A 46 4.938 -12.026 -5.070 1.00 1.12 C ATOM 645 O PRO A 46 3.880 -12.241 -4.471 1.00 1.88 O ATOM 646 CB PRO A 46 6.194 -9.924 -4.494 1.00 1.50 C ATOM 647 CG PRO A 46 5.317 -8.911 -3.802 1.00 1.39 C ATOM 648 CD PRO A 46 3.912 -9.173 -4.272 1.00 0.92 C ATOM 0 HA PRO A 46 5.762 -10.762 -6.512 1.00 1.17 H new ATOM 0 HB2 PRO A 46 6.595 -10.644 -3.781 1.00 1.50 H new ATOM 0 HB3 PRO A 46 7.046 -9.441 -4.972 1.00 1.50 H new ATOM 0 HG2 PRO A 46 5.389 -9.011 -2.719 1.00 1.39 H new ATOM 0 HG3 PRO A 46 5.626 -7.896 -4.050 1.00 1.39 H new ATOM 0 HD2 PRO A 46 3.382 -9.865 -3.618 1.00 0.92 H new ATOM 0 HD3 PRO A 46 3.318 -8.261 -4.319 1.00 0.92 H new ATOM 656 N ASN A 47 5.832 -12.968 -5.361 1.00 1.01 N ATOM 657 CA ASN A 47 5.696 -14.370 -4.949 1.00 1.08 C ATOM 658 C ASN A 47 4.585 -15.067 -5.726 1.00 0.97 C ATOM 659 O ASN A 47 4.235 -16.209 -5.421 1.00 1.25 O ATOM 660 CB ASN A 47 5.404 -14.517 -3.442 1.00 1.23 C ATOM 661 CG ASN A 47 6.336 -13.726 -2.542 1.00 1.53 C ATOM 662 OD1 ASN A 47 7.459 -13.379 -2.916 1.00 2.43 O ATOM 663 ND2 ASN A 47 5.882 -13.464 -1.325 1.00 1.23 N ATOM 0 H ASN A 47 6.681 -12.781 -5.895 1.00 1.01 H new ATOM 0 HA ASN A 47 6.656 -14.838 -5.166 1.00 1.08 H new ATOM 0 HB2 ASN A 47 4.379 -14.200 -3.251 1.00 1.23 H new ATOM 0 HB3 ASN A 47 5.468 -15.571 -3.173 1.00 1.23 H new ATOM 0 HD21 ASN A 47 6.467 -12.959 -0.660 1.00 1.23 H new ATOM 0 HD22 ASN A 47 4.947 -13.768 -1.053 1.00 1.23 H new ATOM 670 N GLU A 48 4.046 -14.397 -6.741 1.00 0.86 N ATOM 671 CA GLU A 48 2.861 -14.893 -7.421 1.00 0.93 C ATOM 672 C GLU A 48 2.720 -14.315 -8.816 1.00 0.93 C ATOM 673 O GLU A 48 2.886 -13.116 -9.035 1.00 1.53 O ATOM 674 CB GLU A 48 1.635 -14.567 -6.585 1.00 1.24 C ATOM 675 CG GLU A 48 0.428 -15.412 -6.933 1.00 1.89 C ATOM 676 CD GLU A 48 0.664 -16.890 -6.712 1.00 2.65 C ATOM 677 OE1 GLU A 48 1.337 -17.520 -7.558 1.00 2.99 O ATOM 678 OE2 GLU A 48 0.161 -17.430 -5.713 1.00 3.26 O ATOM 0 H GLU A 48 4.410 -13.517 -7.106 1.00 0.86 H new ATOM 0 HA GLU A 48 2.959 -15.973 -7.534 1.00 0.93 H new ATOM 0 HB2 GLU A 48 1.875 -14.707 -5.531 1.00 1.24 H new ATOM 0 HB3 GLU A 48 1.383 -13.515 -6.718 1.00 1.24 H new ATOM 0 HG2 GLU A 48 -0.421 -15.090 -6.330 1.00 1.89 H new ATOM 0 HG3 GLU A 48 0.161 -15.243 -7.976 1.00 1.89 H new ATOM 685 N SER A 49 2.424 -15.198 -9.755 1.00 0.94 N ATOM 686 CA SER A 49 2.168 -14.818 -11.127 1.00 1.13 C ATOM 687 C SER A 49 0.868 -15.459 -11.599 1.00 1.05 C ATOM 688 O SER A 49 0.673 -15.712 -12.786 1.00 1.48 O ATOM 689 CB SER A 49 3.338 -15.247 -12.013 1.00 1.39 C ATOM 690 OG SER A 49 3.648 -16.618 -11.821 1.00 2.06 O ATOM 0 H SER A 49 2.355 -16.201 -9.583 1.00 0.94 H new ATOM 0 HA SER A 49 2.068 -13.735 -11.194 1.00 1.13 H new ATOM 0 HB2 SER A 49 3.090 -15.070 -13.060 1.00 1.39 H new ATOM 0 HB3 SER A 49 4.213 -14.638 -11.786 1.00 1.39 H new ATOM 0 HG SER A 49 4.398 -16.868 -12.400 1.00 2.06 H new ATOM 696 N MET A 50 -0.032 -15.696 -10.651 1.00 0.77 N ATOM 697 CA MET A 50 -1.310 -16.330 -10.948 1.00 0.69 C ATOM 698 C MET A 50 -2.391 -15.614 -10.174 1.00 0.60 C ATOM 699 O MET A 50 -3.487 -15.352 -10.672 1.00 0.66 O ATOM 700 CB MET A 50 -1.322 -17.828 -10.629 1.00 0.68 C ATOM 701 CG MET A 50 -1.211 -18.176 -9.152 1.00 0.66 C ATOM 702 SD MET A 50 -1.530 -19.916 -8.817 1.00 1.25 S ATOM 703 CE MET A 50 -1.509 -19.897 -7.027 1.00 1.10 C ATOM 0 H MET A 50 0.101 -15.458 -9.668 1.00 0.77 H new ATOM 0 HA MET A 50 -1.488 -16.250 -12.020 1.00 0.69 H new ATOM 0 HB2 MET A 50 -2.244 -18.259 -11.019 1.00 0.68 H new ATOM 0 HB3 MET A 50 -0.498 -18.303 -11.161 1.00 0.68 H new ATOM 0 HG2 MET A 50 -0.213 -17.920 -8.798 1.00 0.66 H new ATOM 0 HG3 MET A 50 -1.916 -17.567 -8.586 1.00 0.66 H new ATOM 0 HE1 MET A 50 -1.813 -20.873 -6.649 1.00 1.10 H new ATOM 0 HE2 MET A 50 -0.502 -19.671 -6.677 1.00 1.10 H new ATOM 0 HE3 MET A 50 -2.199 -19.136 -6.663 1.00 1.10 H new ATOM 713 N PHE A 51 -2.044 -15.296 -8.945 1.00 0.52 N ATOM 714 CA PHE A 51 -2.787 -14.366 -8.142 1.00 0.44 C ATOM 715 C PHE A 51 -2.011 -13.067 -8.150 1.00 0.51 C ATOM 716 O PHE A 51 -0.789 -13.076 -8.280 1.00 0.74 O ATOM 717 CB PHE A 51 -2.956 -14.883 -6.726 1.00 0.37 C ATOM 718 CG PHE A 51 -4.155 -15.769 -6.528 1.00 0.38 C ATOM 719 CD1 PHE A 51 -4.280 -16.949 -7.245 1.00 0.60 C ATOM 720 CD2 PHE A 51 -5.151 -15.427 -5.627 1.00 0.40 C ATOM 721 CE1 PHE A 51 -5.375 -17.772 -7.065 1.00 0.73 C ATOM 722 CE2 PHE A 51 -6.249 -16.246 -5.444 1.00 0.49 C ATOM 723 CZ PHE A 51 -6.384 -17.389 -6.158 1.00 0.61 C ATOM 0 H PHE A 51 -1.226 -15.685 -8.475 1.00 0.52 H new ATOM 0 HA PHE A 51 -3.790 -14.224 -8.545 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -2.060 -15.436 -6.445 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -3.032 -14.033 -6.048 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -3.513 -17.228 -7.952 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -5.068 -14.510 -5.062 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -5.457 -18.699 -7.613 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -7.007 -15.972 -4.725 1.00 0.49 H new ATOM 0 HZ PHE A 51 -7.262 -18.005 -6.033 1.00 0.61 H new ATOM 733 N THR A 52 -2.693 -11.953 -8.040 1.00 0.47 N ATOM 734 CA THR A 52 -2.091 -10.700 -8.433 1.00 0.61 C ATOM 735 C THR A 52 -2.813 -9.504 -7.797 1.00 0.49 C ATOM 736 O THR A 52 -3.863 -9.661 -7.170 1.00 0.75 O ATOM 737 CB THR A 52 -2.074 -10.573 -9.969 1.00 1.10 C ATOM 738 OG1 THR A 52 -2.216 -11.856 -10.602 1.00 1.41 O ATOM 739 CG2 THR A 52 -0.770 -9.941 -10.425 1.00 1.46 C ATOM 0 H THR A 52 -3.648 -11.886 -7.688 1.00 0.47 H new ATOM 0 HA THR A 52 -1.064 -10.693 -8.069 1.00 0.61 H new ATOM 0 HB THR A 52 -2.916 -9.944 -10.257 1.00 1.10 H new ATOM 0 HG1 THR A 52 -2.203 -11.744 -11.575 1.00 1.41 H new ATOM 0 HG21 THR A 52 -0.768 -9.856 -11.512 1.00 1.46 H new ATOM 0 HG22 THR A 52 -0.672 -8.950 -9.983 1.00 1.46 H new ATOM 0 HG23 THR A 52 0.067 -10.564 -10.108 1.00 1.46 H new ATOM 747 N VAL A 53 -2.235 -8.315 -7.954 1.00 0.46 N ATOM 748 CA VAL A 53 -2.662 -7.133 -7.212 1.00 0.44 C ATOM 749 C VAL A 53 -3.562 -6.217 -8.048 1.00 0.49 C ATOM 750 O VAL A 53 -3.353 -6.033 -9.247 1.00 0.76 O ATOM 751 CB VAL A 53 -1.425 -6.323 -6.741 1.00 0.67 C ATOM 752 CG1 VAL A 53 -0.530 -5.976 -7.922 1.00 1.00 C ATOM 753 CG2 VAL A 53 -1.833 -5.055 -6.004 1.00 1.31 C ATOM 0 H VAL A 53 -1.461 -8.145 -8.596 1.00 0.46 H new ATOM 0 HA VAL A 53 -3.236 -7.487 -6.355 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.868 -6.952 -6.046 1.00 0.67 H new ATOM 0 HG11 VAL A 53 0.332 -5.408 -7.571 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -0.189 -6.893 -8.402 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -1.091 -5.378 -8.640 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.941 -4.514 -5.689 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -2.425 -4.424 -6.666 1.00 1.31 H new ATOM 0 HG23 VAL A 53 -2.426 -5.318 -5.128 1.00 1.31 H new ATOM 763 N GLU A 54 -4.587 -5.680 -7.398 1.00 0.45 N ATOM 764 CA GLU A 54 -5.436 -4.644 -7.966 1.00 0.52 C ATOM 765 C GLU A 54 -5.153 -3.335 -7.243 1.00 0.46 C ATOM 766 O GLU A 54 -4.748 -3.333 -6.075 1.00 0.59 O ATOM 767 CB GLU A 54 -6.916 -5.008 -7.823 1.00 0.71 C ATOM 768 CG GLU A 54 -7.374 -5.064 -6.377 1.00 1.35 C ATOM 769 CD GLU A 54 -8.873 -5.190 -6.221 1.00 1.86 C ATOM 770 OE1 GLU A 54 -9.585 -4.194 -6.467 1.00 2.45 O ATOM 771 OE2 GLU A 54 -9.339 -6.267 -5.812 1.00 2.18 O ATOM 0 H GLU A 54 -4.854 -5.955 -6.453 1.00 0.45 H new ATOM 0 HA GLU A 54 -5.217 -4.544 -9.029 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -7.518 -4.276 -8.361 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -7.094 -5.975 -8.293 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -6.894 -5.910 -5.885 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -7.038 -4.163 -5.863 1.00 1.35 H new ATOM 778 N ASN A 55 -5.359 -2.230 -7.920 1.00 0.49 N ATOM 779 CA ASN A 55 -5.038 -0.933 -7.343 1.00 0.46 C ATOM 780 C ASN A 55 -6.221 0.021 -7.435 1.00 0.46 C ATOM 781 O ASN A 55 -6.939 0.043 -8.436 1.00 0.65 O ATOM 782 CB ASN A 55 -3.818 -0.333 -8.054 1.00 0.62 C ATOM 783 CG ASN A 55 -4.114 0.109 -9.479 1.00 1.21 C ATOM 784 OD1 ASN A 55 -4.032 -0.816 -10.425 1.00 1.84 O flip ATOM 785 ND2 ASN A 55 -4.424 1.272 -9.726 1.00 1.93 N flip ATOM 0 H ASN A 55 -5.744 -2.196 -8.864 1.00 0.49 H new ATOM 0 HA ASN A 55 -4.806 -1.078 -6.288 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -3.456 0.522 -7.483 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -3.015 -1.070 -8.068 1.00 0.62 H new ATOM 0 HD21 ASN A 55 -4.477 1.957 -8.972 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -4.628 1.553 -10.685 1.00 1.93 H new ATOM 792 N LYS A 56 -6.436 0.799 -6.381 1.00 0.42 N ATOM 793 CA LYS A 56 -7.446 1.844 -6.415 1.00 0.43 C ATOM 794 C LYS A 56 -7.058 2.985 -5.479 1.00 0.46 C ATOM 795 O LYS A 56 -6.960 2.811 -4.262 1.00 0.53 O ATOM 796 CB LYS A 56 -8.857 1.294 -6.106 1.00 0.55 C ATOM 797 CG LYS A 56 -9.195 1.036 -4.638 1.00 1.03 C ATOM 798 CD LYS A 56 -8.773 -0.343 -4.181 1.00 0.62 C ATOM 799 CE LYS A 56 -9.814 -0.952 -3.271 1.00 1.26 C ATOM 800 NZ LYS A 56 -11.155 -1.020 -3.905 1.00 1.42 N ATOM 0 H LYS A 56 -5.928 0.726 -5.500 1.00 0.42 H new ATOM 0 HA LYS A 56 -7.490 2.240 -7.429 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -9.589 1.997 -6.504 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -8.983 0.359 -6.652 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -8.705 1.787 -4.018 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -10.269 1.152 -4.490 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -8.620 -0.987 -5.047 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -7.819 -0.281 -3.658 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -9.500 -1.956 -2.985 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.878 -0.365 -2.355 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -11.645 -1.881 -3.590 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -11.711 -0.185 -3.631 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -11.049 -1.041 -4.939 1.00 1.42 H new ATOM 814 N TYR A 57 -6.794 4.144 -6.062 1.00 0.48 N ATOM 815 CA TYR A 57 -6.369 5.305 -5.295 1.00 0.56 C ATOM 816 C TYR A 57 -7.477 6.351 -5.273 1.00 0.57 C ATOM 817 O TYR A 57 -7.726 7.031 -6.271 1.00 0.71 O ATOM 818 CB TYR A 57 -5.096 5.901 -5.884 1.00 0.69 C ATOM 819 CG TYR A 57 -4.097 4.875 -6.381 1.00 0.54 C ATOM 820 CD1 TYR A 57 -3.402 4.057 -5.497 1.00 0.61 C ATOM 821 CD2 TYR A 57 -3.851 4.721 -7.742 1.00 0.91 C ATOM 822 CE1 TYR A 57 -2.496 3.122 -5.954 1.00 0.98 C ATOM 823 CE2 TYR A 57 -2.945 3.785 -8.204 1.00 1.19 C ATOM 824 CZ TYR A 57 -2.271 2.989 -7.305 1.00 1.19 C ATOM 825 OH TYR A 57 -1.364 2.053 -7.757 1.00 1.66 O ATOM 0 H TYR A 57 -6.867 4.306 -7.066 1.00 0.48 H new ATOM 0 HA TYR A 57 -6.160 4.987 -4.273 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -5.366 6.558 -6.711 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -4.616 6.521 -5.127 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -3.574 4.155 -4.435 1.00 0.61 H new ATOM 0 HD2 TYR A 57 -4.377 5.344 -8.450 1.00 0.91 H new ATOM 0 HE1 TYR A 57 -1.965 2.496 -5.253 1.00 0.98 H new ATOM 0 HE2 TYR A 57 -2.767 3.679 -9.264 1.00 1.19 H new ATOM 0 HH TYR A 57 -0.818 1.737 -7.007 1.00 1.66 H new ATOM 835 N PHE A 58 -8.148 6.461 -4.138 1.00 0.52 N ATOM 836 CA PHE A 58 -9.266 7.380 -3.995 1.00 0.60 C ATOM 837 C PHE A 58 -8.952 8.481 -2.991 1.00 0.73 C ATOM 838 O PHE A 58 -8.939 8.249 -1.780 1.00 0.80 O ATOM 839 CB PHE A 58 -10.522 6.625 -3.561 1.00 0.67 C ATOM 840 CG PHE A 58 -11.116 5.785 -4.653 1.00 0.96 C ATOM 841 CD1 PHE A 58 -11.984 6.345 -5.576 1.00 1.19 C ATOM 842 CD2 PHE A 58 -10.806 4.441 -4.760 1.00 1.56 C ATOM 843 CE1 PHE A 58 -12.535 5.577 -6.585 1.00 1.65 C ATOM 844 CE2 PHE A 58 -11.353 3.669 -5.766 1.00 2.14 C ATOM 845 CZ PHE A 58 -12.218 4.238 -6.680 1.00 2.08 C ATOM 0 H PHE A 58 -7.937 5.922 -3.298 1.00 0.52 H new ATOM 0 HA PHE A 58 -9.442 7.843 -4.966 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -10.278 5.986 -2.712 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -11.268 7.342 -3.217 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -12.233 7.394 -5.507 1.00 1.19 H new ATOM 0 HD2 PHE A 58 -10.129 3.991 -4.049 1.00 1.56 H new ATOM 0 HE1 PHE A 58 -13.212 6.025 -7.297 1.00 1.65 H new ATOM 0 HE2 PHE A 58 -11.104 2.620 -5.838 1.00 2.14 H new ATOM 0 HZ PHE A 58 -12.645 3.636 -7.468 1.00 2.08 H new ATOM 855 N PRO A 59 -8.670 9.692 -3.493 1.00 0.90 N ATOM 856 CA PRO A 59 -8.473 10.886 -2.658 1.00 1.17 C ATOM 857 C PRO A 59 -9.731 11.247 -1.856 1.00 1.32 C ATOM 858 O PRO A 59 -10.788 10.643 -2.051 1.00 1.92 O ATOM 859 CB PRO A 59 -8.130 11.977 -3.684 1.00 1.46 C ATOM 860 CG PRO A 59 -7.623 11.223 -4.860 1.00 1.30 C ATOM 861 CD PRO A 59 -8.475 9.994 -4.919 1.00 1.01 C ATOM 0 HA PRO A 59 -7.700 10.745 -1.903 1.00 1.17 H new ATOM 0 HB2 PRO A 59 -9.006 12.573 -3.940 1.00 1.46 H new ATOM 0 HB3 PRO A 59 -7.378 12.665 -3.298 1.00 1.46 H new ATOM 0 HG2 PRO A 59 -7.710 11.810 -5.774 1.00 1.30 H new ATOM 0 HG3 PRO A 59 -6.569 10.969 -4.744 1.00 1.30 H new ATOM 0 HD2 PRO A 59 -9.420 10.176 -5.431 1.00 1.01 H new ATOM 0 HD3 PRO A 59 -7.979 9.178 -5.445 1.00 1.01 H new ATOM 869 N PRO A 60 -9.639 12.226 -0.938 1.00 1.14 N ATOM 870 CA PRO A 60 -10.737 12.574 -0.028 1.00 1.27 C ATOM 871 C PRO A 60 -12.004 13.089 -0.706 1.00 1.97 C ATOM 872 O PRO A 60 -12.208 12.961 -1.916 1.00 2.64 O ATOM 873 CB PRO A 60 -10.157 13.686 0.847 1.00 1.41 C ATOM 874 CG PRO A 60 -8.687 13.562 0.700 1.00 1.85 C ATOM 875 CD PRO A 60 -8.453 13.057 -0.690 1.00 1.56 C ATOM 0 HA PRO A 60 -11.059 11.679 0.504 1.00 1.27 H new ATOM 0 HB2 PRO A 60 -10.505 14.666 0.522 1.00 1.41 H new ATOM 0 HB3 PRO A 60 -10.461 13.569 1.887 1.00 1.41 H new ATOM 0 HG2 PRO A 60 -8.197 14.523 0.854 1.00 1.85 H new ATOM 0 HG3 PRO A 60 -8.277 12.874 1.439 1.00 1.85 H new ATOM 0 HD2 PRO A 60 -8.373 13.873 -1.409 1.00 1.56 H new ATOM 0 HD3 PRO A 60 -7.532 12.479 -0.761 1.00 1.56 H new ATOM 883 N ASP A 61 -12.825 13.704 0.128 1.00 2.53 N ATOM 884 CA ASP A 61 -14.172 14.132 -0.208 1.00 3.55 C ATOM 885 C ASP A 61 -14.804 14.565 1.105 1.00 4.33 C ATOM 886 O ASP A 61 -14.137 15.187 1.933 1.00 4.81 O ATOM 887 CB ASP A 61 -14.962 12.969 -0.834 1.00 4.18 C ATOM 888 CG ASP A 61 -16.278 13.386 -1.471 1.00 5.17 C ATOM 889 OD1 ASP A 61 -16.261 13.895 -2.611 1.00 5.80 O ATOM 890 OD2 ASP A 61 -17.335 13.168 -0.842 1.00 5.51 O ATOM 0 H ASP A 61 -12.564 13.926 1.089 1.00 2.53 H new ATOM 0 HA ASP A 61 -14.170 14.943 -0.937 1.00 3.55 H new ATOM 0 HB2 ASP A 61 -14.341 12.487 -1.589 1.00 4.18 H new ATOM 0 HB3 ASP A 61 -15.163 12.224 -0.064 1.00 4.18 H new ATOM 895 N SER A 62 -16.049 14.214 1.321 1.00 4.84 N ATOM 896 CA SER A 62 -16.668 14.394 2.617 1.00 5.85 C ATOM 897 C SER A 62 -16.820 13.045 3.312 1.00 6.45 C ATOM 898 O SER A 62 -16.234 12.807 4.368 1.00 6.95 O ATOM 899 CB SER A 62 -18.019 15.089 2.463 1.00 6.81 C ATOM 900 OG SER A 62 -18.722 14.573 1.348 1.00 7.43 O ATOM 0 H SER A 62 -16.657 13.800 0.615 1.00 4.84 H new ATOM 0 HA SER A 62 -16.031 15.027 3.235 1.00 5.85 H new ATOM 0 HB2 SER A 62 -18.610 14.950 3.368 1.00 6.81 H new ATOM 0 HB3 SER A 62 -17.870 16.162 2.341 1.00 6.81 H new ATOM 0 HG SER A 62 -19.586 15.029 1.266 1.00 7.43 H new ATOM 906 N LYS A 63 -17.579 12.150 2.690 1.00 6.69 N ATOM 907 CA LYS A 63 -17.823 10.829 3.261 1.00 7.56 C ATOM 908 C LYS A 63 -16.808 9.803 2.761 1.00 7.34 C ATOM 909 O LYS A 63 -16.651 8.738 3.357 1.00 8.03 O ATOM 910 CB LYS A 63 -19.258 10.370 2.949 1.00 8.44 C ATOM 911 CG LYS A 63 -19.641 10.415 1.469 1.00 8.39 C ATOM 912 CD LYS A 63 -18.973 9.310 0.657 1.00 7.90 C ATOM 913 CE LYS A 63 -19.428 7.925 1.097 1.00 8.47 C ATOM 914 NZ LYS A 63 -20.905 7.774 1.045 1.00 8.71 N ATOM 0 H LYS A 63 -18.035 12.314 1.793 1.00 6.69 H new ATOM 0 HA LYS A 63 -17.705 10.905 4.342 1.00 7.56 H new ATOM 0 HB2 LYS A 63 -19.384 9.350 3.311 1.00 8.44 H new ATOM 0 HB3 LYS A 63 -19.954 10.995 3.509 1.00 8.44 H new ATOM 0 HG2 LYS A 63 -20.723 10.327 1.375 1.00 8.39 H new ATOM 0 HG3 LYS A 63 -19.363 11.384 1.055 1.00 8.39 H new ATOM 0 HD2 LYS A 63 -19.201 9.448 -0.400 1.00 7.90 H new ATOM 0 HD3 LYS A 63 -17.891 9.387 0.762 1.00 7.90 H new ATOM 0 HE2 LYS A 63 -18.965 7.173 0.458 1.00 8.47 H new ATOM 0 HE3 LYS A 63 -19.081 7.737 2.113 1.00 8.47 H new ATOM 0 HZ1 LYS A 63 -21.154 6.767 1.120 1.00 8.71 H new ATOM 0 HZ2 LYS A 63 -21.335 8.296 1.835 1.00 8.71 H new ATOM 0 HZ3 LYS A 63 -21.261 8.153 0.144 1.00 8.71 H new ATOM 928 N LEU A 64 -16.136 10.122 1.654 1.00 6.59 N ATOM 929 CA LEU A 64 -15.167 9.205 1.057 1.00 6.64 C ATOM 930 C LEU A 64 -14.050 8.949 2.055 1.00 5.83 C ATOM 931 O LEU A 64 -13.714 7.804 2.357 1.00 6.33 O ATOM 932 CB LEU A 64 -14.606 9.801 -0.242 1.00 6.54 C ATOM 933 CG LEU A 64 -14.010 8.809 -1.257 1.00 7.43 C ATOM 934 CD1 LEU A 64 -12.725 8.181 -0.741 1.00 7.88 C ATOM 935 CD2 LEU A 64 -15.025 7.731 -1.607 1.00 8.10 C ATOM 0 H LEU A 64 -16.245 11.005 1.155 1.00 6.59 H new ATOM 0 HA LEU A 64 -15.654 8.261 0.813 1.00 6.64 H new ATOM 0 HB2 LEU A 64 -15.405 10.354 -0.736 1.00 6.54 H new ATOM 0 HB3 LEU A 64 -13.834 10.524 0.021 1.00 6.54 H new ATOM 0 HG LEU A 64 -13.764 9.369 -2.159 1.00 7.43 H new ATOM 0 HD11 LEU A 64 -12.335 7.487 -1.485 1.00 7.88 H new ATOM 0 HD12 LEU A 64 -11.989 8.962 -0.552 1.00 7.88 H new ATOM 0 HD13 LEU A 64 -12.929 7.643 0.185 1.00 7.88 H new ATOM 0 HD21 LEU A 64 -14.587 7.038 -2.326 1.00 8.10 H new ATOM 0 HD22 LEU A 64 -15.305 7.188 -0.704 1.00 8.10 H new ATOM 0 HD23 LEU A 64 -15.911 8.193 -2.042 1.00 8.10 H new ATOM 947 N LEU A 65 -13.491 10.029 2.568 1.00 4.74 N ATOM 948 CA LEU A 65 -12.505 9.942 3.624 1.00 4.07 C ATOM 949 C LEU A 65 -12.408 11.286 4.317 1.00 3.22 C ATOM 950 O LEU A 65 -12.622 11.406 5.523 1.00 3.56 O ATOM 951 CB LEU A 65 -11.138 9.514 3.061 1.00 4.05 C ATOM 952 CG LEU A 65 -10.174 8.814 4.037 1.00 4.01 C ATOM 953 CD1 LEU A 65 -9.785 9.721 5.196 1.00 4.35 C ATOM 954 CD2 LEU A 65 -10.779 7.518 4.558 1.00 4.56 C ATOM 0 H LEU A 65 -13.705 10.980 2.268 1.00 4.74 H new ATOM 0 HA LEU A 65 -12.812 9.185 4.346 1.00 4.07 H new ATOM 0 HB2 LEU A 65 -11.312 8.846 2.217 1.00 4.05 H new ATOM 0 HB3 LEU A 65 -10.640 10.400 2.668 1.00 4.05 H new ATOM 0 HG LEU A 65 -9.266 8.579 3.481 1.00 4.01 H new ATOM 0 HD11 LEU A 65 -9.104 9.190 5.861 1.00 4.35 H new ATOM 0 HD12 LEU A 65 -9.292 10.613 4.810 1.00 4.35 H new ATOM 0 HD13 LEU A 65 -10.679 10.010 5.748 1.00 4.35 H new ATOM 0 HD21 LEU A 65 -10.080 7.041 5.245 1.00 4.56 H new ATOM 0 HD22 LEU A 65 -11.711 7.736 5.080 1.00 4.56 H new ATOM 0 HD23 LEU A 65 -10.980 6.848 3.722 1.00 4.56 H new ATOM 966 N GLY A 66 -12.086 12.291 3.529 1.00 2.53 N ATOM 967 CA GLY A 66 -12.068 13.656 4.015 1.00 2.28 C ATOM 968 C GLY A 66 -10.751 14.031 4.659 1.00 2.48 C ATOM 969 O GLY A 66 -10.066 14.939 4.193 1.00 3.02 O ATOM 0 H GLY A 66 -11.832 12.188 2.546 1.00 2.53 H new ATOM 0 HA2 GLY A 66 -12.268 14.335 3.186 1.00 2.28 H new ATOM 0 HA3 GLY A 66 -12.872 13.790 4.738 1.00 2.28 H new ATOM 973 N ALA A 67 -10.403 13.325 5.726 1.00 2.66 N ATOM 974 CA ALA A 67 -9.192 13.602 6.492 1.00 3.24 C ATOM 975 C ALA A 67 -7.938 13.511 5.629 1.00 3.13 C ATOM 976 O ALA A 67 -7.153 14.458 5.551 1.00 3.73 O ATOM 977 CB ALA A 67 -9.088 12.633 7.660 1.00 4.02 C ATOM 0 H ALA A 67 -10.951 12.544 6.086 1.00 2.66 H new ATOM 0 HA ALA A 67 -9.262 14.624 6.864 1.00 3.24 H new ATOM 0 HB1 ALA A 67 -8.182 12.844 8.228 1.00 4.02 H new ATOM 0 HB2 ALA A 67 -9.958 12.748 8.307 1.00 4.02 H new ATOM 0 HB3 ALA A 67 -9.050 11.611 7.283 1.00 4.02 H new ATOM 983 N GLY A 68 -7.752 12.366 4.987 1.00 2.74 N ATOM 984 CA GLY A 68 -6.562 12.153 4.192 1.00 2.84 C ATOM 985 C GLY A 68 -6.863 11.555 2.834 1.00 2.21 C ATOM 986 O GLY A 68 -6.451 12.090 1.817 1.00 2.79 O ATOM 0 H GLY A 68 -8.404 11.582 5.003 1.00 2.74 H new ATOM 0 HA2 GLY A 68 -6.045 13.103 4.059 1.00 2.84 H new ATOM 0 HA3 GLY A 68 -5.883 11.493 4.732 1.00 2.84 H new ATOM 990 N GLY A 69 -7.569 10.446 2.810 1.00 1.49 N ATOM 991 CA GLY A 69 -7.875 9.801 1.551 1.00 1.05 C ATOM 992 C GLY A 69 -7.662 8.307 1.640 1.00 0.84 C ATOM 993 O GLY A 69 -7.522 7.774 2.739 1.00 1.12 O ATOM 0 H GLY A 69 -7.938 9.976 3.637 1.00 1.49 H new ATOM 0 HA2 GLY A 69 -8.909 10.008 1.274 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -7.245 10.215 0.764 1.00 1.05 H new ATOM 997 N THR A 70 -7.621 7.627 0.503 1.00 0.52 N ATOM 998 CA THR A 70 -7.532 6.176 0.494 1.00 0.46 C ATOM 999 C THR A 70 -6.946 5.630 -0.804 1.00 0.39 C ATOM 1000 O THR A 70 -7.668 5.351 -1.758 1.00 0.44 O ATOM 1001 CB THR A 70 -8.912 5.540 0.727 1.00 0.58 C ATOM 1002 OG1 THR A 70 -9.951 6.439 0.312 1.00 0.97 O ATOM 1003 CG2 THR A 70 -9.086 5.160 2.189 1.00 0.59 C ATOM 0 H THR A 70 -7.648 8.056 -0.422 1.00 0.52 H new ATOM 0 HA THR A 70 -6.857 5.910 1.308 1.00 0.46 H new ATOM 0 HB THR A 70 -8.980 4.632 0.128 1.00 0.58 H new ATOM 0 HG1 THR A 70 -9.661 6.928 -0.486 1.00 0.97 H new ATOM 0 HG21 THR A 70 -10.069 4.711 2.334 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.315 4.444 2.473 1.00 0.59 H new ATOM 0 HG23 THR A 70 -8.999 6.052 2.810 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.644 5.441 -0.812 1.00 0.34 N ATOM 1012 CA GLU A 71 -4.954 4.833 -1.939 1.00 0.34 C ATOM 1013 C GLU A 71 -4.598 3.398 -1.573 1.00 0.31 C ATOM 1014 O GLU A 71 -3.748 3.161 -0.721 1.00 0.31 O ATOM 1015 CB GLU A 71 -3.693 5.627 -2.290 1.00 0.36 C ATOM 1016 CG GLU A 71 -3.968 7.088 -2.603 1.00 0.47 C ATOM 1017 CD GLU A 71 -2.744 7.820 -3.114 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -1.990 8.381 -2.290 1.00 0.53 O ATOM 1019 OE2 GLU A 71 -2.541 7.843 -4.344 1.00 0.81 O ATOM 0 H GLU A 71 -5.031 5.703 -0.040 1.00 0.34 H new ATOM 0 HA GLU A 71 -5.603 4.839 -2.814 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -2.991 5.567 -1.458 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -3.208 5.164 -3.149 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -4.761 7.152 -3.348 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.334 7.585 -1.704 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.275 2.442 -2.190 1.00 0.31 N ATOM 1027 CA HIS A 72 -5.153 1.051 -1.775 1.00 0.32 C ATOM 1028 C HIS A 72 -4.376 0.223 -2.780 1.00 0.29 C ATOM 1029 O HIS A 72 -4.483 0.414 -3.994 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.505 0.367 -1.634 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.546 1.057 -0.814 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.330 0.379 0.088 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -8.027 2.320 -0.851 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -9.254 1.186 0.553 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -9.098 2.376 0.004 1.00 0.53 N ATOM 0 H HIS A 72 -5.909 2.600 -2.973 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.637 1.097 -0.816 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -6.911 0.215 -2.634 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -6.339 -0.621 -1.204 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -8.212 -0.599 0.354 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.639 3.135 -1.445 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -10.018 0.920 1.269 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.647 -0.728 -2.241 1.00 0.25 N ATOM 1045 CA PHE A 73 -2.976 -1.757 -3.007 1.00 0.25 C ATOM 1046 C PHE A 73 -3.483 -3.115 -2.544 1.00 0.25 C ATOM 1047 O PHE A 73 -3.125 -3.587 -1.475 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.470 -1.651 -2.785 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.851 -0.472 -3.476 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -1.083 0.815 -3.014 1.00 0.75 C ATOM 1051 CD2 PHE A 73 -0.042 -0.648 -4.583 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.516 1.903 -3.645 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.530 0.436 -5.220 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.296 1.714 -4.748 1.00 1.13 C ATOM 0 H PHE A 73 -3.500 -0.810 -1.235 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.183 -1.635 -4.070 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.271 -1.582 -1.715 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -0.992 -2.564 -3.140 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -1.714 0.967 -2.151 1.00 0.75 H new ATOM 0 HD2 PHE A 73 0.145 -1.645 -4.954 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.706 2.901 -3.278 1.00 1.10 H new ATOM 0 HE2 PHE A 73 1.159 0.285 -6.085 1.00 0.88 H new ATOM 0 HZ PHE A 73 0.747 2.563 -5.240 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.329 -3.736 -3.337 1.00 0.25 N ATOM 1065 CA HIS A 74 -4.947 -4.991 -2.937 1.00 0.30 C ATOM 1066 C HIS A 74 -4.302 -6.146 -3.662 1.00 0.31 C ATOM 1067 O HIS A 74 -4.540 -6.344 -4.847 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.442 -4.991 -3.265 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.306 -4.169 -2.361 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.656 -4.387 -2.239 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -7.020 -3.136 -1.533 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -9.162 -3.529 -1.380 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -8.191 -2.760 -0.924 1.00 0.45 N ATOM 0 H HIS A 74 -4.607 -3.398 -4.259 1.00 0.25 H new ATOM 0 HA HIS A 74 -4.809 -5.099 -1.861 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.571 -4.631 -4.286 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.800 -6.020 -3.242 1.00 0.38 H new ATOM 0 HD1 HIS A 74 -9.185 -5.103 -2.737 1.00 0.42 H new ATOM 0 HD2 HIS A 74 -6.048 -2.690 -1.380 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -10.202 -3.464 -1.095 1.00 0.47 H new ATOM 1082 N VAL A 75 -3.522 -6.938 -2.958 1.00 0.25 N ATOM 1083 CA VAL A 75 -2.897 -8.071 -3.588 1.00 0.26 C ATOM 1084 C VAL A 75 -3.681 -9.320 -3.211 1.00 0.25 C ATOM 1085 O VAL A 75 -3.863 -9.655 -2.041 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.384 -8.217 -3.227 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -0.663 -6.884 -3.359 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -1.183 -8.784 -1.837 1.00 0.87 C ATOM 0 H VAL A 75 -3.311 -6.819 -1.967 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.919 -7.922 -4.667 1.00 0.26 H new ATOM 0 HB VAL A 75 -0.955 -8.923 -3.938 1.00 0.33 H new ATOM 0 HG11 VAL A 75 0.389 -7.012 -3.102 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -0.745 -6.526 -4.385 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -1.115 -6.157 -2.684 1.00 0.71 H new ATOM 0 HG21 VAL A 75 -0.116 -8.868 -1.629 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -1.645 -8.122 -1.104 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -1.643 -9.770 -1.776 1.00 0.87 H new ATOM 1098 N THR A 76 -4.214 -9.968 -4.208 1.00 0.28 N ATOM 1099 CA THR A 76 -4.943 -11.186 -3.989 1.00 0.32 C ATOM 1100 C THR A 76 -4.023 -12.314 -4.366 1.00 0.34 C ATOM 1101 O THR A 76 -3.775 -12.528 -5.543 1.00 0.39 O ATOM 1102 CB THR A 76 -6.220 -11.241 -4.850 1.00 0.40 C ATOM 1103 OG1 THR A 76 -6.888 -9.971 -4.810 1.00 0.46 O ATOM 1104 CG2 THR A 76 -7.164 -12.328 -4.355 1.00 0.45 C ATOM 0 H THR A 76 -4.157 -9.673 -5.183 1.00 0.28 H new ATOM 0 HA THR A 76 -5.258 -11.253 -2.948 1.00 0.32 H new ATOM 0 HB THR A 76 -5.931 -11.473 -5.875 1.00 0.40 H new ATOM 0 HG1 THR A 76 -7.698 -10.010 -5.360 1.00 0.46 H new ATOM 0 HG21 THR A 76 -8.057 -12.346 -4.979 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.665 -13.295 -4.408 1.00 0.45 H new ATOM 0 HG23 THR A 76 -7.447 -12.122 -3.323 1.00 0.45 H new ATOM 1112 N VAL A 77 -3.479 -12.980 -3.359 1.00 0.36 N ATOM 1113 CA VAL A 77 -2.425 -13.963 -3.558 1.00 0.41 C ATOM 1114 C VAL A 77 -2.467 -15.029 -2.475 1.00 0.45 C ATOM 1115 O VAL A 77 -2.862 -14.755 -1.342 1.00 0.60 O ATOM 1116 CB VAL A 77 -1.036 -13.266 -3.546 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -0.878 -12.395 -2.306 1.00 0.90 C ATOM 1118 CG2 VAL A 77 0.097 -14.278 -3.616 1.00 1.04 C ATOM 0 H VAL A 77 -3.754 -12.855 -2.385 1.00 0.36 H new ATOM 0 HA VAL A 77 -2.585 -14.440 -4.525 1.00 0.41 H new ATOM 0 HB VAL A 77 -0.983 -12.634 -4.432 1.00 0.53 H new ATOM 0 HG11 VAL A 77 0.102 -11.917 -2.319 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -1.655 -11.630 -2.297 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -0.968 -13.014 -1.413 1.00 0.90 H new ATOM 0 HG21 VAL A 77 1.053 -13.755 -3.606 1.00 1.04 H new ATOM 0 HG22 VAL A 77 0.040 -14.948 -2.758 1.00 1.04 H new ATOM 0 HG23 VAL A 77 0.011 -14.858 -4.535 1.00 1.04 H new ATOM 1128 N LYS A 78 -2.091 -16.249 -2.838 1.00 0.39 N ATOM 1129 CA LYS A 78 -1.889 -17.306 -1.865 1.00 0.41 C ATOM 1130 C LYS A 78 -0.630 -18.093 -2.205 1.00 0.40 C ATOM 1131 O LYS A 78 -0.630 -18.943 -3.095 1.00 0.42 O ATOM 1132 CB LYS A 78 -3.120 -18.227 -1.763 1.00 0.48 C ATOM 1133 CG LYS A 78 -4.060 -18.208 -2.968 1.00 0.77 C ATOM 1134 CD LYS A 78 -3.518 -18.989 -4.160 1.00 0.61 C ATOM 1135 CE LYS A 78 -3.205 -20.436 -3.798 1.00 1.29 C ATOM 1136 NZ LYS A 78 -4.413 -21.183 -3.351 1.00 1.54 N ATOM 0 H LYS A 78 -1.920 -16.528 -3.804 1.00 0.39 H new ATOM 0 HA LYS A 78 -1.757 -16.849 -0.884 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -2.775 -19.250 -1.610 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -3.689 -17.947 -0.876 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -5.024 -18.624 -2.676 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -4.237 -17.175 -3.268 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -4.247 -18.967 -4.970 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -2.615 -18.504 -4.531 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -2.770 -20.938 -4.662 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -2.455 -20.456 -3.007 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -4.159 -22.174 -3.165 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -4.786 -20.752 -2.481 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -5.139 -21.145 -4.094 1.00 1.54 H new ATOM 1150 N ALA A 79 0.439 -17.810 -1.477 1.00 0.39 N ATOM 1151 CA ALA A 79 1.728 -18.426 -1.732 1.00 0.40 C ATOM 1152 C ALA A 79 2.637 -18.248 -0.534 1.00 0.43 C ATOM 1153 O ALA A 79 2.688 -17.168 0.046 1.00 0.67 O ATOM 1154 CB ALA A 79 2.374 -17.828 -2.973 1.00 0.46 C ATOM 0 H ALA A 79 0.436 -17.151 -0.698 1.00 0.39 H new ATOM 0 HA ALA A 79 1.572 -19.491 -1.904 1.00 0.40 H new ATOM 0 HB1 ALA A 79 3.339 -18.304 -3.146 1.00 0.46 H new ATOM 0 HB2 ALA A 79 1.728 -17.994 -3.835 1.00 0.46 H new ATOM 0 HB3 ALA A 79 2.518 -16.757 -2.828 1.00 0.46 H new ATOM 1160 N ALA A 80 3.352 -19.309 -0.174 1.00 0.34 N ATOM 1161 CA ALA A 80 4.212 -19.302 1.003 1.00 0.33 C ATOM 1162 C ALA A 80 5.452 -18.435 0.790 1.00 0.34 C ATOM 1163 O ALA A 80 6.551 -18.939 0.540 1.00 0.44 O ATOM 1164 CB ALA A 80 4.607 -20.722 1.369 1.00 0.37 C ATOM 0 H ALA A 80 3.352 -20.191 -0.686 1.00 0.34 H new ATOM 0 HA ALA A 80 3.649 -18.867 1.828 1.00 0.33 H new ATOM 0 HB1 ALA A 80 5.249 -20.706 2.249 1.00 0.37 H new ATOM 0 HB2 ALA A 80 3.711 -21.305 1.584 1.00 0.37 H new ATOM 0 HB3 ALA A 80 5.144 -21.176 0.536 1.00 0.37 H new ATOM 1170 N GLY A 81 5.260 -17.133 0.896 1.00 0.28 N ATOM 1171 CA GLY A 81 6.344 -16.192 0.734 1.00 0.29 C ATOM 1172 C GLY A 81 6.115 -14.964 1.572 1.00 0.25 C ATOM 1173 O GLY A 81 5.016 -14.736 2.059 1.00 0.26 O ATOM 0 H GLY A 81 4.356 -16.705 1.095 1.00 0.28 H new ATOM 0 HA2 GLY A 81 7.285 -16.662 1.019 1.00 0.29 H new ATOM 0 HA3 GLY A 81 6.433 -15.910 -0.315 1.00 0.29 H new ATOM 1177 N THR A 82 7.122 -14.150 1.736 1.00 0.26 N ATOM 1178 CA THR A 82 6.959 -12.975 2.553 1.00 0.25 C ATOM 1179 C THR A 82 6.731 -11.772 1.652 1.00 0.25 C ATOM 1180 O THR A 82 7.416 -11.594 0.644 1.00 0.30 O ATOM 1181 CB THR A 82 8.179 -12.741 3.458 1.00 0.32 C ATOM 1182 OG1 THR A 82 8.708 -14.002 3.896 1.00 0.40 O ATOM 1183 CG2 THR A 82 7.781 -11.920 4.674 1.00 0.36 C ATOM 0 H THR A 82 8.047 -14.273 1.325 1.00 0.26 H new ATOM 0 HA THR A 82 6.097 -13.121 3.204 1.00 0.25 H new ATOM 0 HB THR A 82 8.936 -12.201 2.889 1.00 0.32 H new ATOM 0 HG1 THR A 82 9.486 -13.848 4.471 1.00 0.40 H new ATOM 0 HG21 THR A 82 8.654 -11.761 5.307 1.00 0.36 H new ATOM 0 HG22 THR A 82 7.388 -10.957 4.350 1.00 0.36 H new ATOM 0 HG23 THR A 82 7.016 -12.453 5.238 1.00 0.36 H new ATOM 1191 N HIS A 83 5.734 -10.980 1.996 1.00 0.24 N ATOM 1192 CA HIS A 83 5.326 -9.856 1.182 1.00 0.25 C ATOM 1193 C HIS A 83 5.839 -8.569 1.813 1.00 0.24 C ATOM 1194 O HIS A 83 5.271 -8.073 2.785 1.00 0.24 O ATOM 1195 CB HIS A 83 3.791 -9.804 1.080 1.00 0.27 C ATOM 1196 CG HIS A 83 3.280 -8.980 -0.067 1.00 0.31 C ATOM 1197 ND1 HIS A 83 3.672 -7.678 -0.291 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.379 -9.270 -1.036 1.00 0.37 C ATOM 1199 CE1 HIS A 83 3.034 -7.197 -1.344 1.00 0.40 C ATOM 1200 NE2 HIS A 83 2.243 -8.143 -1.816 1.00 0.39 N ATOM 0 H HIS A 83 5.185 -11.099 2.848 1.00 0.24 H new ATOM 0 HA HIS A 83 5.742 -9.968 0.181 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.410 -10.820 0.982 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.389 -9.401 2.010 1.00 0.27 H new ATOM 0 HD1 HIS A 83 4.351 -7.164 0.270 1.00 0.40 H new ATOM 0 HD2 HIS A 83 1.864 -10.209 -1.172 1.00 0.37 H new ATOM 0 HE1 HIS A 83 3.141 -6.201 -1.749 1.00 0.40 H new ATOM 1209 N ALA A 84 6.890 -8.016 1.241 1.00 0.25 N ATOM 1210 CA ALA A 84 7.468 -6.789 1.753 1.00 0.25 C ATOM 1211 C ALA A 84 7.031 -5.639 0.875 1.00 0.25 C ATOM 1212 O ALA A 84 7.448 -5.534 -0.274 1.00 0.35 O ATOM 1213 CB ALA A 84 8.986 -6.888 1.796 1.00 0.31 C ATOM 0 H ALA A 84 7.362 -8.397 0.421 1.00 0.25 H new ATOM 0 HA ALA A 84 7.120 -6.620 2.772 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.401 -5.957 2.183 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.279 -7.713 2.445 1.00 0.31 H new ATOM 0 HB3 ALA A 84 9.368 -7.065 0.790 1.00 0.31 H new ATOM 1219 N VAL A 85 6.165 -4.797 1.407 1.00 0.22 N ATOM 1220 CA VAL A 85 5.520 -3.783 0.596 1.00 0.23 C ATOM 1221 C VAL A 85 6.119 -2.418 0.851 1.00 0.22 C ATOM 1222 O VAL A 85 5.884 -1.813 1.896 1.00 0.25 O ATOM 1223 CB VAL A 85 4.014 -3.702 0.873 1.00 0.26 C ATOM 1224 CG1 VAL A 85 3.294 -3.146 -0.339 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.461 -5.056 1.283 1.00 0.59 C ATOM 0 H VAL A 85 5.894 -4.795 2.390 1.00 0.22 H new ATOM 0 HA VAL A 85 5.681 -4.075 -0.442 1.00 0.23 H new ATOM 0 HB VAL A 85 3.846 -3.023 1.709 1.00 0.26 H new ATOM 0 HG11 VAL A 85 2.225 -3.092 -0.134 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.672 -2.148 -0.561 1.00 0.50 H new ATOM 0 HG13 VAL A 85 3.467 -3.798 -1.195 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.391 -4.970 1.473 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.630 -5.776 0.482 1.00 0.59 H new ATOM 0 HG23 VAL A 85 3.964 -5.396 2.188 1.00 0.59 H new ATOM 1235 N ASN A 86 6.887 -1.946 -0.112 1.00 0.22 N ATOM 1236 CA ASN A 86 7.478 -0.623 -0.052 1.00 0.22 C ATOM 1237 C ASN A 86 6.802 0.271 -1.067 1.00 0.20 C ATOM 1238 O ASN A 86 7.052 0.174 -2.268 1.00 0.24 O ATOM 1239 CB ASN A 86 8.979 -0.697 -0.330 1.00 0.28 C ATOM 1240 CG ASN A 86 9.741 -1.420 0.761 1.00 0.85 C ATOM 1241 OD1 ASN A 86 10.472 -0.807 1.538 1.00 1.53 O ATOM 1242 ND2 ASN A 86 9.528 -2.720 0.865 1.00 0.94 N ATOM 0 H ASN A 86 7.119 -2.468 -0.957 1.00 0.22 H new ATOM 0 HA ASN A 86 7.336 -0.210 0.947 1.00 0.22 H new ATOM 0 HB2 ASN A 86 9.144 -1.205 -1.280 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.375 0.313 -0.436 1.00 0.28 H new ATOM 0 HD21 ASN A 86 9.977 -3.252 1.610 1.00 0.94 H new ATOM 0 HD22 ASN A 86 8.914 -3.191 0.200 1.00 0.94 H new ATOM 1249 N LEU A 87 5.939 1.131 -0.576 1.00 0.18 N ATOM 1250 CA LEU A 87 5.176 2.016 -1.426 1.00 0.19 C ATOM 1251 C LEU A 87 5.736 3.427 -1.333 1.00 0.18 C ATOM 1252 O LEU A 87 5.810 4.001 -0.255 1.00 0.18 O ATOM 1253 CB LEU A 87 3.701 1.982 -1.024 1.00 0.20 C ATOM 1254 CG LEU A 87 3.012 0.624 -1.201 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.638 0.636 -0.559 1.00 0.24 C ATOM 1256 CD2 LEU A 87 2.895 0.281 -2.667 1.00 0.22 C ATOM 0 H LEU A 87 5.747 1.237 0.420 1.00 0.18 H new ATOM 0 HA LEU A 87 5.254 1.684 -2.461 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.618 2.281 0.021 1.00 0.20 H new ATOM 0 HB3 LEU A 87 3.162 2.725 -1.612 1.00 0.20 H new ATOM 0 HG LEU A 87 3.620 -0.135 -0.709 1.00 0.21 H new ATOM 0 HD11 LEU A 87 1.164 -0.336 -0.695 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.736 0.846 0.506 1.00 0.24 H new ATOM 0 HD13 LEU A 87 1.025 1.407 -1.026 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.404 -0.686 -2.776 1.00 0.22 H new ATOM 0 HD22 LEU A 87 2.307 1.046 -3.174 1.00 0.22 H new ATOM 0 HD23 LEU A 87 3.890 0.235 -3.110 1.00 0.22 H new ATOM 1268 N THR A 88 6.107 3.983 -2.467 1.00 0.21 N ATOM 1269 CA THR A 88 6.800 5.250 -2.512 1.00 0.21 C ATOM 1270 C THR A 88 5.849 6.379 -2.911 1.00 0.21 C ATOM 1271 O THR A 88 5.247 6.362 -3.987 1.00 0.29 O ATOM 1272 CB THR A 88 7.969 5.174 -3.511 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.652 3.924 -3.354 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.954 6.313 -3.291 1.00 0.29 C ATOM 0 H THR A 88 5.936 3.568 -3.383 1.00 0.21 H new ATOM 0 HA THR A 88 7.188 5.463 -1.516 1.00 0.21 H new ATOM 0 HB THR A 88 7.562 5.257 -4.519 1.00 0.25 H new ATOM 0 HG1 THR A 88 8.134 3.212 -3.784 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.769 6.234 -4.011 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.443 7.267 -3.425 1.00 0.29 H new ATOM 0 HG23 THR A 88 9.356 6.256 -2.280 1.00 0.29 H new ATOM 1282 N TYR A 89 5.723 7.347 -2.020 1.00 0.24 N ATOM 1283 CA TYR A 89 4.848 8.490 -2.210 1.00 0.27 C ATOM 1284 C TYR A 89 5.600 9.599 -2.946 1.00 0.27 C ATOM 1285 O TYR A 89 6.366 10.349 -2.338 1.00 0.30 O ATOM 1286 CB TYR A 89 4.359 8.976 -0.835 1.00 0.37 C ATOM 1287 CG TYR A 89 3.268 10.019 -0.878 1.00 0.45 C ATOM 1288 CD1 TYR A 89 1.934 9.650 -0.902 1.00 0.68 C ATOM 1289 CD2 TYR A 89 3.569 11.367 -0.891 1.00 1.00 C ATOM 1290 CE1 TYR A 89 0.929 10.593 -0.944 1.00 0.69 C ATOM 1291 CE2 TYR A 89 2.570 12.316 -0.929 1.00 1.11 C ATOM 1292 CZ TYR A 89 1.253 11.926 -0.958 1.00 0.68 C ATOM 1293 OH TYR A 89 0.260 12.874 -1.025 1.00 0.80 O ATOM 0 H TYR A 89 6.231 7.361 -1.135 1.00 0.24 H new ATOM 0 HA TYR A 89 3.985 8.208 -2.814 1.00 0.27 H new ATOM 0 HB2 TYR A 89 3.997 8.117 -0.270 1.00 0.37 H new ATOM 0 HB3 TYR A 89 5.209 9.383 -0.287 1.00 0.37 H new ATOM 0 HD1 TYR A 89 1.675 8.602 -0.888 1.00 0.68 H new ATOM 0 HD2 TYR A 89 4.602 11.682 -0.871 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -0.106 10.285 -0.966 1.00 0.69 H new ATOM 0 HE2 TYR A 89 2.823 13.366 -0.936 1.00 1.11 H new ATOM 0 HH TYR A 89 0.126 13.142 -1.958 1.00 0.80 H new ATOM 1303 N MET A 90 5.400 9.687 -4.258 1.00 0.29 N ATOM 1304 CA MET A 90 6.113 10.671 -5.078 1.00 0.34 C ATOM 1305 C MET A 90 5.164 11.327 -6.051 1.00 0.38 C ATOM 1306 O MET A 90 4.063 10.831 -6.276 1.00 0.47 O ATOM 1307 CB MET A 90 7.205 10.025 -5.922 1.00 0.37 C ATOM 1308 CG MET A 90 8.021 8.967 -5.226 1.00 0.36 C ATOM 1309 SD MET A 90 9.074 8.089 -6.394 1.00 0.65 S ATOM 1310 CE MET A 90 7.879 7.715 -7.680 1.00 0.54 C ATOM 0 H MET A 90 4.754 9.093 -4.778 1.00 0.29 H new ATOM 0 HA MET A 90 6.547 11.390 -4.383 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.744 9.582 -6.804 1.00 0.37 H new ATOM 0 HB3 MET A 90 7.879 10.806 -6.273 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.635 9.427 -4.452 1.00 0.36 H new ATOM 0 HG3 MET A 90 7.357 8.261 -4.728 1.00 0.36 H new ATOM 0 HE1 MET A 90 8.314 7.008 -8.386 1.00 0.54 H new ATOM 0 HE2 MET A 90 6.987 7.278 -7.232 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.609 8.632 -8.204 1.00 0.54 H new ATOM 1320 N ARG A 91 5.589 12.452 -6.618 1.00 0.40 N ATOM 1321 CA ARG A 91 4.881 13.024 -7.749 1.00 0.49 C ATOM 1322 C ARG A 91 5.010 12.052 -8.915 1.00 0.58 C ATOM 1323 O ARG A 91 6.091 11.881 -9.457 1.00 0.65 O ATOM 1324 CB ARG A 91 5.465 14.386 -8.143 1.00 0.55 C ATOM 1325 CG ARG A 91 4.400 15.421 -8.455 1.00 0.67 C ATOM 1326 CD ARG A 91 5.001 16.791 -8.714 1.00 0.79 C ATOM 1327 NE ARG A 91 3.969 17.777 -9.015 1.00 1.37 N ATOM 1328 CZ ARG A 91 4.215 18.987 -9.499 1.00 1.71 C ATOM 1329 NH1 ARG A 91 5.462 19.386 -9.707 1.00 1.74 N ATOM 1330 NH2 ARG A 91 3.205 19.798 -9.771 1.00 2.59 N ATOM 0 H ARG A 91 6.409 12.977 -6.315 1.00 0.40 H new ATOM 0 HA ARG A 91 3.836 13.182 -7.482 1.00 0.49 H new ATOM 0 HB2 ARG A 91 6.094 14.753 -7.332 1.00 0.55 H new ATOM 0 HB3 ARG A 91 6.108 14.261 -9.014 1.00 0.55 H new ATOM 0 HG2 ARG A 91 3.830 15.104 -9.328 1.00 0.67 H new ATOM 0 HG3 ARG A 91 3.699 15.483 -7.622 1.00 0.67 H new ATOM 0 HD2 ARG A 91 5.569 17.112 -7.841 1.00 0.79 H new ATOM 0 HD3 ARG A 91 5.703 16.731 -9.546 1.00 0.79 H new ATOM 0 HE ARG A 91 2.997 17.520 -8.842 1.00 1.37 H new ATOM 0 HH11 ARG A 91 6.240 18.761 -9.495 1.00 1.74 H new ATOM 0 HH12 ARG A 91 5.644 20.318 -10.079 1.00 1.74 H new ATOM 0 HH21 ARG A 91 2.246 19.491 -9.608 1.00 2.59 H new ATOM 0 HH22 ARG A 91 3.386 20.730 -10.143 1.00 2.59 H new ATOM 1344 N PRO A 92 3.901 11.403 -9.302 1.00 0.67 N ATOM 1345 CA PRO A 92 3.889 10.275 -10.249 1.00 0.81 C ATOM 1346 C PRO A 92 4.770 10.450 -11.493 1.00 0.91 C ATOM 1347 O PRO A 92 5.329 9.474 -11.993 1.00 1.04 O ATOM 1348 CB PRO A 92 2.412 10.166 -10.669 1.00 0.92 C ATOM 1349 CG PRO A 92 1.713 11.318 -10.022 1.00 0.88 C ATOM 1350 CD PRO A 92 2.541 11.701 -8.841 1.00 0.72 C ATOM 0 HA PRO A 92 4.302 9.389 -9.767 1.00 0.81 H new ATOM 0 HB2 PRO A 92 2.311 10.208 -11.753 1.00 0.92 H new ATOM 0 HB3 PRO A 92 1.983 9.218 -10.345 1.00 0.92 H new ATOM 0 HG2 PRO A 92 1.616 12.153 -10.716 1.00 0.88 H new ATOM 0 HG3 PRO A 92 0.705 11.039 -9.716 1.00 0.88 H new ATOM 0 HD2 PRO A 92 2.420 12.753 -8.584 1.00 0.72 H new ATOM 0 HD3 PRO A 92 2.277 11.124 -7.955 1.00 0.72 H new ATOM 1358 N TRP A 93 4.896 11.673 -11.996 1.00 0.90 N ATOM 1359 CA TRP A 93 5.627 11.901 -13.243 1.00 1.03 C ATOM 1360 C TRP A 93 7.034 12.461 -13.014 1.00 1.03 C ATOM 1361 O TRP A 93 7.712 12.839 -13.970 1.00 1.17 O ATOM 1362 CB TRP A 93 4.836 12.843 -14.155 1.00 1.08 C ATOM 1363 CG TRP A 93 4.517 14.161 -13.522 1.00 0.98 C ATOM 1364 CD1 TRP A 93 5.274 15.296 -13.564 1.00 1.01 C ATOM 1365 CD2 TRP A 93 3.357 14.480 -12.748 1.00 0.93 C ATOM 1366 NE1 TRP A 93 4.656 16.298 -12.859 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.476 15.824 -12.352 1.00 0.94 C ATOM 1368 CE3 TRP A 93 2.231 13.759 -12.353 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 2.511 16.459 -11.580 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 1.272 14.391 -11.588 1.00 0.96 C ATOM 1371 CH2 TRP A 93 1.417 15.730 -11.209 1.00 0.99 C ATOM 0 H TRP A 93 4.508 12.514 -11.568 1.00 0.90 H new ATOM 0 HA TRP A 93 5.742 10.929 -13.722 1.00 1.03 H new ATOM 0 HB2 TRP A 93 5.407 13.016 -15.067 1.00 1.08 H new ATOM 0 HB3 TRP A 93 3.906 12.356 -14.448 1.00 1.08 H new ATOM 0 HD1 TRP A 93 6.220 15.391 -14.077 1.00 1.01 H new ATOM 0 HE1 TRP A 93 5.017 17.243 -12.733 1.00 0.98 H new ATOM 0 HE3 TRP A 93 2.111 12.725 -12.640 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 2.622 17.492 -11.284 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 0.395 13.843 -11.277 1.00 0.96 H new ATOM 0 HH2 TRP A 93 0.648 16.197 -10.611 1.00 0.99 H new ATOM 1382 N THR A 94 7.482 12.517 -11.763 1.00 0.91 N ATOM 1383 CA THR A 94 8.824 13.014 -11.471 1.00 0.95 C ATOM 1384 C THR A 94 9.236 12.712 -10.023 1.00 0.86 C ATOM 1385 O THR A 94 10.265 12.078 -9.794 1.00 1.07 O ATOM 1386 CB THR A 94 8.953 14.532 -11.782 1.00 0.98 C ATOM 1387 OG1 THR A 94 10.310 14.961 -11.618 1.00 1.09 O ATOM 1388 CG2 THR A 94 8.033 15.380 -10.914 1.00 0.85 C ATOM 0 H THR A 94 6.945 12.229 -10.945 1.00 0.91 H new ATOM 0 HA THR A 94 9.511 12.482 -12.129 1.00 0.95 H new ATOM 0 HB THR A 94 8.648 14.673 -12.819 1.00 0.98 H new ATOM 0 HG1 THR A 94 10.377 15.918 -11.819 1.00 1.09 H new ATOM 0 HG21 THR A 94 8.160 16.432 -11.169 1.00 0.85 H new ATOM 0 HG22 THR A 94 6.997 15.087 -11.087 1.00 0.85 H new ATOM 0 HG23 THR A 94 8.282 15.229 -9.864 1.00 0.85 H new ATOM 1396 N GLY A 95 8.426 13.148 -9.060 1.00 0.64 N ATOM 1397 CA GLY A 95 8.694 12.875 -7.659 1.00 0.60 C ATOM 1398 C GLY A 95 10.037 13.392 -7.193 1.00 0.70 C ATOM 1399 O GLY A 95 10.992 12.620 -7.109 1.00 1.16 O ATOM 0 H GLY A 95 7.580 13.692 -9.230 1.00 0.64 H new ATOM 0 HA2 GLY A 95 7.909 13.326 -7.052 1.00 0.60 H new ATOM 0 HA3 GLY A 95 8.649 11.799 -7.491 1.00 0.60 H new ATOM 1403 N PRO A 96 10.135 14.709 -6.922 1.00 0.64 N ATOM 1404 CA PRO A 96 11.286 15.331 -6.271 1.00 0.90 C ATOM 1405 C PRO A 96 12.024 14.395 -5.320 1.00 0.98 C ATOM 1406 O PRO A 96 11.471 13.951 -4.308 1.00 1.17 O ATOM 1407 CB PRO A 96 10.602 16.451 -5.512 1.00 1.02 C ATOM 1408 CG PRO A 96 9.576 16.942 -6.472 1.00 1.20 C ATOM 1409 CD PRO A 96 9.124 15.730 -7.256 1.00 0.97 C ATOM 0 HA PRO A 96 12.063 15.641 -6.970 1.00 0.90 H new ATOM 0 HB2 PRO A 96 10.149 16.092 -4.588 1.00 1.02 H new ATOM 0 HB3 PRO A 96 11.305 17.238 -5.237 1.00 1.02 H new ATOM 0 HG2 PRO A 96 8.739 17.401 -5.947 1.00 1.20 H new ATOM 0 HG3 PRO A 96 9.993 17.701 -7.134 1.00 1.20 H new ATOM 0 HD2 PRO A 96 8.122 15.414 -6.965 1.00 0.97 H new ATOM 0 HD3 PRO A 96 9.096 15.932 -8.327 1.00 0.97 H new ATOM 1417 N SER A 97 13.271 14.103 -5.666 1.00 1.20 N ATOM 1418 CA SER A 97 14.087 13.139 -4.936 1.00 1.48 C ATOM 1419 C SER A 97 14.547 13.706 -3.595 1.00 1.31 C ATOM 1420 O SER A 97 15.737 13.935 -3.374 1.00 1.86 O ATOM 1421 CB SER A 97 15.293 12.739 -5.789 1.00 2.04 C ATOM 1422 OG SER A 97 14.874 12.217 -7.042 1.00 2.64 O ATOM 0 H SER A 97 13.747 14.528 -6.462 1.00 1.20 H new ATOM 0 HA SER A 97 13.481 12.257 -4.731 1.00 1.48 H new ATOM 0 HB2 SER A 97 15.935 13.605 -5.947 1.00 2.04 H new ATOM 0 HB3 SER A 97 15.887 11.994 -5.260 1.00 2.04 H new ATOM 0 HG SER A 97 15.660 11.969 -7.572 1.00 2.64 H new ATOM 1428 N HIS A 98 13.584 13.909 -2.709 1.00 1.20 N ATOM 1429 CA HIS A 98 13.824 14.468 -1.385 1.00 1.22 C ATOM 1430 C HIS A 98 12.493 14.646 -0.672 1.00 0.98 C ATOM 1431 O HIS A 98 12.411 14.552 0.552 1.00 1.07 O ATOM 1432 CB HIS A 98 14.546 15.818 -1.483 1.00 1.58 C ATOM 1433 CG HIS A 98 14.906 16.421 -0.161 1.00 2.34 C ATOM 1434 ND1 HIS A 98 16.040 16.079 0.540 1.00 3.02 N ATOM 1435 CD2 HIS A 98 14.284 17.366 0.580 1.00 3.23 C ATOM 1436 CE1 HIS A 98 16.100 16.785 1.651 1.00 3.95 C ATOM 1437 NE2 HIS A 98 15.046 17.576 1.698 1.00 4.09 N ATOM 0 H HIS A 98 12.605 13.689 -2.889 1.00 1.20 H new ATOM 0 HA HIS A 98 14.459 13.784 -0.823 1.00 1.22 H new ATOM 0 HB2 HIS A 98 15.455 15.689 -2.070 1.00 1.58 H new ATOM 0 HB3 HIS A 98 13.912 16.517 -2.028 1.00 1.58 H new ATOM 0 HD2 HIS A 98 13.357 17.863 0.335 1.00 3.23 H new ATOM 0 HE1 HIS A 98 16.880 16.726 2.396 1.00 3.95 H new ATOM 0 HE2 HIS A 98 14.833 18.237 2.445 1.00 4.09 H new ATOM 1446 N ASP A 99 11.447 14.893 -1.455 1.00 0.79 N ATOM 1447 CA ASP A 99 10.123 15.106 -0.919 1.00 0.79 C ATOM 1448 C ASP A 99 9.367 13.787 -0.859 1.00 0.77 C ATOM 1449 O ASP A 99 8.262 13.703 -0.319 1.00 1.35 O ATOM 1450 CB ASP A 99 9.383 16.089 -1.819 1.00 0.96 C ATOM 1451 CG ASP A 99 9.017 17.370 -1.103 1.00 1.18 C ATOM 1452 OD1 ASP A 99 9.852 18.303 -1.087 1.00 1.35 O ATOM 1453 OD2 ASP A 99 7.896 17.457 -0.561 1.00 1.67 O ATOM 0 H ASP A 99 11.501 14.949 -2.472 1.00 0.79 H new ATOM 0 HA ASP A 99 10.195 15.511 0.091 1.00 0.79 H new ATOM 0 HB2 ASP A 99 10.005 16.325 -2.682 1.00 0.96 H new ATOM 0 HB3 ASP A 99 8.477 15.617 -2.198 1.00 0.96 H new ATOM 1458 N SER A 100 9.983 12.762 -1.429 1.00 0.51 N ATOM 1459 CA SER A 100 9.380 11.450 -1.543 1.00 0.45 C ATOM 1460 C SER A 100 9.222 10.762 -0.188 1.00 0.46 C ATOM 1461 O SER A 100 10.189 10.569 0.555 1.00 0.69 O ATOM 1462 CB SER A 100 10.229 10.596 -2.484 1.00 0.55 C ATOM 1463 OG SER A 100 11.612 10.844 -2.278 1.00 1.39 O ATOM 0 H SER A 100 10.920 12.821 -1.827 1.00 0.51 H new ATOM 0 HA SER A 100 8.375 11.570 -1.948 1.00 0.45 H new ATOM 0 HB2 SER A 100 10.015 9.540 -2.317 1.00 0.55 H new ATOM 0 HB3 SER A 100 9.966 10.815 -3.519 1.00 0.55 H new ATOM 0 HG SER A 100 12.139 10.287 -2.888 1.00 1.39 H new ATOM 1469 N GLU A 101 7.984 10.416 0.120 1.00 0.35 N ATOM 1470 CA GLU A 101 7.655 9.607 1.282 1.00 0.40 C ATOM 1471 C GLU A 101 7.660 8.138 0.853 1.00 0.40 C ATOM 1472 O GLU A 101 7.671 7.856 -0.342 1.00 0.68 O ATOM 1473 CB GLU A 101 6.272 10.032 1.807 1.00 0.46 C ATOM 1474 CG GLU A 101 5.739 9.204 2.965 1.00 0.62 C ATOM 1475 CD GLU A 101 6.532 9.382 4.239 1.00 1.06 C ATOM 1476 OE1 GLU A 101 7.674 8.887 4.302 1.00 1.91 O ATOM 1477 OE2 GLU A 101 6.010 10.005 5.188 1.00 1.19 O ATOM 0 H GLU A 101 7.172 10.690 -0.433 1.00 0.35 H new ATOM 0 HA GLU A 101 8.381 9.745 2.083 1.00 0.40 H new ATOM 0 HB2 GLU A 101 6.324 11.075 2.120 1.00 0.46 H new ATOM 0 HB3 GLU A 101 5.558 9.981 0.985 1.00 0.46 H new ATOM 0 HG2 GLU A 101 4.700 9.477 3.150 1.00 0.62 H new ATOM 0 HG3 GLU A 101 5.747 8.151 2.684 1.00 0.62 H new ATOM 1484 N ARG A 102 7.679 7.205 1.793 1.00 0.22 N ATOM 1485 CA ARG A 102 7.601 5.795 1.435 1.00 0.18 C ATOM 1486 C ARG A 102 7.133 4.956 2.614 1.00 0.17 C ATOM 1487 O ARG A 102 7.569 5.137 3.750 1.00 0.20 O ATOM 1488 CB ARG A 102 8.954 5.287 0.919 1.00 0.23 C ATOM 1489 CG ARG A 102 8.879 3.971 0.148 1.00 0.26 C ATOM 1490 CD ARG A 102 10.239 3.571 -0.404 1.00 0.36 C ATOM 1491 NE ARG A 102 10.153 2.554 -1.461 1.00 0.37 N ATOM 1492 CZ ARG A 102 11.114 1.661 -1.711 1.00 0.44 C ATOM 1493 NH1 ARG A 102 12.187 1.589 -0.929 1.00 0.62 N ATOM 1494 NH2 ARG A 102 11.002 0.835 -2.744 1.00 0.52 N ATOM 0 H ARG A 102 7.747 7.392 2.793 1.00 0.22 H new ATOM 0 HA ARG A 102 6.868 5.695 0.635 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.392 6.048 0.274 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.628 5.160 1.766 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.506 3.185 0.804 1.00 0.26 H new ATOM 0 HG3 ARG A 102 8.167 4.068 -0.671 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.739 4.455 -0.798 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.857 3.191 0.409 1.00 0.36 H new ATOM 0 HE ARG A 102 9.311 2.529 -2.037 1.00 0.37 H new ATOM 0 HH11 ARG A 102 12.280 2.218 -0.132 1.00 0.62 H new ATOM 0 HH12 ARG A 102 12.917 0.904 -1.126 1.00 0.62 H new ATOM 0 HH21 ARG A 102 10.181 0.882 -3.348 1.00 0.52 H new ATOM 0 HH22 ARG A 102 11.737 0.153 -2.934 1.00 0.52 H new ATOM 1508 N PHE A 103 6.245 4.038 2.309 1.00 0.15 N ATOM 1509 CA PHE A 103 5.654 3.147 3.281 1.00 0.17 C ATOM 1510 C PHE A 103 6.280 1.773 3.142 1.00 0.18 C ATOM 1511 O PHE A 103 6.745 1.420 2.061 1.00 0.21 O ATOM 1512 CB PHE A 103 4.139 3.089 3.039 1.00 0.18 C ATOM 1513 CG PHE A 103 3.513 1.770 3.352 1.00 0.35 C ATOM 1514 CD1 PHE A 103 3.499 0.760 2.408 1.00 0.51 C ATOM 1515 CD2 PHE A 103 2.950 1.539 4.588 1.00 0.55 C ATOM 1516 CE1 PHE A 103 2.940 -0.458 2.693 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.388 0.321 4.880 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.383 -0.679 3.931 1.00 0.86 C ATOM 0 H PHE A 103 5.906 3.887 1.359 1.00 0.15 H new ATOM 0 HA PHE A 103 5.835 3.507 4.294 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.657 3.858 3.643 1.00 0.18 H new ATOM 0 HB3 PHE A 103 3.941 3.333 1.995 1.00 0.18 H new ATOM 0 HD1 PHE A 103 3.934 0.933 1.435 1.00 0.51 H new ATOM 0 HD2 PHE A 103 2.951 2.322 5.332 1.00 0.55 H new ATOM 0 HE1 PHE A 103 2.937 -1.241 1.949 1.00 0.75 H new ATOM 0 HE2 PHE A 103 1.950 0.146 5.852 1.00 0.78 H new ATOM 0 HZ PHE A 103 1.941 -1.637 4.160 1.00 0.86 H new ATOM 1528 N THR A 104 6.278 0.994 4.212 1.00 0.17 N ATOM 1529 CA THR A 104 6.864 -0.326 4.169 1.00 0.19 C ATOM 1530 C THR A 104 6.237 -1.229 5.219 1.00 0.17 C ATOM 1531 O THR A 104 6.540 -1.113 6.406 1.00 0.18 O ATOM 1532 CB THR A 104 8.390 -0.274 4.411 1.00 0.24 C ATOM 1533 OG1 THR A 104 9.035 0.555 3.429 1.00 0.31 O ATOM 1534 CG2 THR A 104 8.987 -1.671 4.383 1.00 0.26 C ATOM 0 H THR A 104 5.878 1.255 5.113 1.00 0.17 H new ATOM 0 HA THR A 104 6.672 -0.727 3.174 1.00 0.19 H new ATOM 0 HB THR A 104 8.557 0.159 5.397 1.00 0.24 H new ATOM 0 HG1 THR A 104 9.626 0.005 2.874 1.00 0.31 H new ATOM 0 HG21 THR A 104 10.062 -1.611 4.555 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.528 -2.279 5.163 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.800 -2.127 3.411 1.00 0.26 H new ATOM 1542 N VAL A 105 5.352 -2.119 4.800 1.00 0.17 N ATOM 1543 CA VAL A 105 4.905 -3.161 5.697 1.00 0.17 C ATOM 1544 C VAL A 105 5.555 -4.481 5.313 1.00 0.21 C ATOM 1545 O VAL A 105 5.659 -4.824 4.131 1.00 0.25 O ATOM 1546 CB VAL A 105 3.368 -3.329 5.726 1.00 0.20 C ATOM 1547 CG1 VAL A 105 2.843 -3.857 4.404 1.00 0.79 C ATOM 1548 CG2 VAL A 105 2.960 -4.247 6.866 1.00 0.88 C ATOM 0 H VAL A 105 4.940 -2.139 3.867 1.00 0.17 H new ATOM 0 HA VAL A 105 5.207 -2.860 6.700 1.00 0.17 H new ATOM 0 HB VAL A 105 2.926 -2.346 5.889 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.760 -3.963 4.459 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.099 -3.160 3.606 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.293 -4.828 4.196 1.00 0.79 H new ATOM 0 HG21 VAL A 105 1.876 -4.356 6.875 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.422 -5.225 6.729 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.289 -3.819 7.813 1.00 0.88 H new ATOM 1558 N TYR A 106 6.013 -5.195 6.312 1.00 0.24 N ATOM 1559 CA TYR A 106 6.544 -6.522 6.115 1.00 0.28 C ATOM 1560 C TYR A 106 5.515 -7.524 6.585 1.00 0.27 C ATOM 1561 O TYR A 106 5.322 -7.715 7.782 1.00 0.36 O ATOM 1562 CB TYR A 106 7.826 -6.729 6.908 1.00 0.38 C ATOM 1563 CG TYR A 106 8.989 -5.846 6.510 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.631 -6.010 5.292 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.465 -4.871 7.377 1.00 0.49 C ATOM 1566 CE1 TYR A 106 10.715 -5.227 4.947 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.544 -4.079 7.038 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.166 -4.262 5.822 1.00 0.58 C ATOM 1569 OH TYR A 106 12.257 -3.488 5.488 1.00 0.70 O ATOM 0 H TYR A 106 6.028 -4.875 7.280 1.00 0.24 H new ATOM 0 HA TYR A 106 6.769 -6.654 5.057 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.611 -6.562 7.963 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.132 -7.770 6.806 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.278 -6.762 4.602 1.00 0.48 H new ATOM 0 HD2 TYR A 106 8.983 -4.730 8.333 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.207 -5.370 3.996 1.00 0.56 H new ATOM 0 HE2 TYR A 106 10.898 -3.321 7.721 1.00 0.57 H new ATOM 0 HH TYR A 106 12.444 -2.856 6.213 1.00 0.70 H new ATOM 1579 N LEU A 107 4.847 -8.147 5.650 1.00 0.26 N ATOM 1580 CA LEU A 107 3.812 -9.099 5.979 1.00 0.29 C ATOM 1581 C LEU A 107 4.144 -10.439 5.346 1.00 0.31 C ATOM 1582 O LEU A 107 4.725 -10.486 4.275 1.00 0.45 O ATOM 1583 CB LEU A 107 2.461 -8.564 5.489 1.00 0.39 C ATOM 1584 CG LEU A 107 2.246 -8.609 3.972 1.00 1.33 C ATOM 1585 CD1 LEU A 107 1.459 -9.846 3.563 1.00 2.12 C ATOM 1586 CD2 LEU A 107 1.547 -7.352 3.491 1.00 2.02 C ATOM 0 H LEU A 107 5.000 -8.014 4.650 1.00 0.26 H new ATOM 0 HA LEU A 107 3.751 -9.240 7.058 1.00 0.29 H new ATOM 0 HB2 LEU A 107 1.667 -9.137 5.968 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.355 -7.532 5.823 1.00 0.39 H new ATOM 0 HG LEU A 107 3.227 -8.662 3.499 1.00 1.33 H new ATOM 0 HD11 LEU A 107 1.323 -9.849 2.482 1.00 2.12 H new ATOM 0 HD12 LEU A 107 2.005 -10.740 3.863 1.00 2.12 H new ATOM 0 HD13 LEU A 107 0.485 -9.835 4.051 1.00 2.12 H new ATOM 0 HD21 LEU A 107 1.405 -7.405 2.412 1.00 2.02 H new ATOM 0 HD22 LEU A 107 0.577 -7.265 3.981 1.00 2.02 H new ATOM 0 HD23 LEU A 107 2.156 -6.481 3.734 1.00 2.02 H new ATOM 1598 N LYS A 108 3.796 -11.524 5.999 1.00 0.25 N ATOM 1599 CA LYS A 108 4.069 -12.841 5.444 1.00 0.26 C ATOM 1600 C LYS A 108 2.813 -13.459 4.872 1.00 0.24 C ATOM 1601 O LYS A 108 1.895 -13.782 5.613 1.00 0.29 O ATOM 1602 CB LYS A 108 4.645 -13.766 6.505 1.00 0.32 C ATOM 1603 CG LYS A 108 4.716 -15.211 6.047 1.00 0.45 C ATOM 1604 CD LYS A 108 5.775 -15.999 6.805 1.00 0.76 C ATOM 1605 CE LYS A 108 7.149 -15.865 6.166 1.00 1.34 C ATOM 1606 NZ LYS A 108 7.234 -16.619 4.887 1.00 1.89 N ATOM 0 H LYS A 108 3.328 -11.528 6.905 1.00 0.25 H new ATOM 0 HA LYS A 108 4.799 -12.714 4.644 1.00 0.26 H new ATOM 0 HB2 LYS A 108 5.645 -13.425 6.774 1.00 0.32 H new ATOM 0 HB3 LYS A 108 4.034 -13.704 7.405 1.00 0.32 H new ATOM 0 HG2 LYS A 108 3.744 -15.684 6.187 1.00 0.45 H new ATOM 0 HG3 LYS A 108 4.936 -15.243 4.980 1.00 0.45 H new ATOM 0 HD2 LYS A 108 5.819 -15.649 7.836 1.00 0.76 H new ATOM 0 HD3 LYS A 108 5.491 -17.051 6.837 1.00 0.76 H new ATOM 0 HE2 LYS A 108 7.365 -14.812 5.983 1.00 1.34 H new ATOM 0 HE3 LYS A 108 7.909 -16.231 6.856 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 7.803 -17.478 5.028 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 6.278 -16.884 4.576 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 7.681 -16.023 4.162 1.00 1.89 H new ATOM 1620 N ALA A 109 2.817 -13.691 3.569 1.00 0.24 N ATOM 1621 CA ALA A 109 1.653 -14.211 2.874 1.00 0.28 C ATOM 1622 C ALA A 109 1.841 -15.699 2.646 1.00 0.34 C ATOM 1623 O ALA A 109 2.970 -16.172 2.569 1.00 0.53 O ATOM 1624 CB ALA A 109 1.464 -13.483 1.548 1.00 0.37 C ATOM 0 H ALA A 109 3.623 -13.525 2.967 1.00 0.24 H new ATOM 0 HA ALA A 109 0.760 -14.049 3.477 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.588 -13.881 1.036 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.322 -12.418 1.734 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.346 -13.628 0.924 1.00 0.37 H new ATOM 1630 N ASN A 110 0.755 -16.450 2.581 1.00 0.41 N ATOM 1631 CA ASN A 110 0.866 -17.895 2.406 1.00 0.54 C ATOM 1632 C ASN A 110 -0.496 -18.542 2.208 1.00 0.95 C ATOM 1633 O ASN A 110 -1.357 -18.414 3.100 1.00 1.35 O ATOM 1634 CB ASN A 110 1.609 -18.547 3.587 1.00 0.56 C ATOM 1635 CG ASN A 110 0.939 -18.340 4.932 1.00 0.80 C ATOM 1636 OD1 ASN A 110 0.140 -19.168 5.379 1.00 1.58 O ATOM 1637 ND2 ASN A 110 1.277 -17.246 5.600 1.00 0.56 N ATOM 1638 OXT ASN A 110 -0.692 -19.195 1.160 1.00 1.78 O ATOM 0 H ASN A 110 -0.199 -16.095 2.645 1.00 0.41 H new ATOM 0 HA ASN A 110 1.451 -18.064 1.502 1.00 0.54 H new ATOM 0 HB2 ASN A 110 1.699 -19.617 3.399 1.00 0.56 H new ATOM 0 HB3 ASN A 110 2.621 -18.145 3.632 1.00 0.56 H new ATOM 0 HD21 ASN A 110 0.873 -17.064 6.519 1.00 0.56 H new ATOM 0 HD22 ASN A 110 1.941 -16.586 5.195 1.00 0.56 H new TER 1645 ASN A 110