USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1031 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 98 SER OG : rot -100:sc= 0.657 USER MOD Set 1.2: A 153 HIS : no HD1:sc= 0.253 K(o=0.91,f=-1.6) USER MOD Set 2.1: A 38 GLN : amide:sc= 0 K(o=1.6,f=-0.68) USER MOD Set 2.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 89 THR OG1 : rot 114:sc= 0.817 USER MOD Set 2.4: A 155 ASN : amide:sc= 0.741 K(o=1.6,f=0.99) USER MOD Set 3.1: A 47 SER OG : rot 52:sc= 0.602 USER MOD Set 3.2: A 62 TYR OH : rot -138:sc= 0.265 USER MOD Set 3.3: A 71 SER OG : rot -172:sc= 0.618 USER MOD Set 4.1: A 57 CYS SG : rot 177:sc= 0.135 USER MOD Set 4.2: A 109 HIS : no HD1:sc= 0.466 K(o=0.6,f=-2.1) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0907 (180deg=-0.451) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.00501 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 64:sc= 0.116 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= 0.288 K(o=0.29,f=-3.2!) USER MOD Single : A 25 ASN : amide:sc= -0.0618 K(o=-0.062,f=-7.6!) USER MOD Single : A 32 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.69) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 36 THR OG1 : rot -66:sc= 0.228 USER MOD Single : A 37 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.1!) USER MOD Single : A 40 THR OG1 : rot -26:sc= 0.0437 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.587 K(o=0.59,f=-0.63) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.351 K(o=0.35,f=-10!) USER MOD Single : A 52 TYR OH : rot -98:sc= 0.521 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.923! C(o=-0.92!,f=-7.3!) USER MOD Single : A 58 THR OG1 : rot 131:sc= 0.206 USER MOD Single : A 60 TYR OH : rot 0:sc= -0.125 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= 1.24 (180deg=0.903) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 72 THR OG1 : rot -36:sc= 1.02 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 77 ASN : amide:sc= -0.0299 K(o=-0.03,f=-0.57) USER MOD Single : A 78 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.26) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0.943 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.342 F(o=-1.7,f=-0.34) USER MOD Single : A 92 ASN : amide:sc= 0.771 K(o=0.77,f=-0.0098) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.488 K(o=0.49,f=-6!) USER MOD Single : A 102 SER OG : rot 74:sc= 0.307 USER MOD Single : A 103 THR OG1 : rot 56:sc= 0.195 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0.474 K(o=0.47,f=-0.19) USER MOD Single : A 117 ASN :FLIP amide:sc= -1.82 F(o=-2.4!,f=-1.8) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 69:sc= 0.801 USER MOD Single : A 125 SER OG : rot 36:sc= -1.29 USER MOD Single : A 127 MET CE :methyl -117:sc= -0.497 (180deg=-3.45!) USER MOD Single : A 128 ASN : amide:sc= -0.649 K(o=-0.65,f=-4.1!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= -0.0926 K(o=-0.093,f=-6.3!) USER MOD Single : A 135 SER OG : rot -61:sc= -1.67! USER MOD Single : A 137 SER OG : rot -132:sc= 0.342 USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.0622 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 83:sc= 0.205 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 67:sc= 0.456 USER MOD Single : A 150 ASN : amide:sc= -2.76! C(o=-2.8!,f=-2.4!) USER MOD Single : A 151 TYR OH : rot -150:sc= -3.63! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 66.688 -12.100 -4.150 1.00 34.41 N ATOM 2 CA MET A 1 66.851 -10.625 -4.000 1.00 52.45 C ATOM 3 C MET A 1 65.546 -9.969 -3.519 1.00 60.04 C ATOM 4 O MET A 1 64.456 -10.355 -3.942 1.00 11.03 O ATOM 5 CB MET A 1 67.291 -10.006 -5.338 1.00 1.32 C ATOM 6 CG MET A 1 67.521 -8.497 -5.287 1.00 73.50 C ATOM 7 SD MET A 1 68.731 -8.006 -4.035 1.00 31.25 S ATOM 8 CE MET A 1 70.184 -8.903 -4.585 1.00 72.31 C ATOM 0 H1 MET A 1 67.176 -12.584 -3.370 1.00 34.41 H new ATOM 0 H2 MET A 1 65.677 -12.341 -4.128 1.00 34.41 H new ATOM 0 H3 MET A 1 67.097 -12.404 -5.057 1.00 34.41 H new ATOM 0 HA MET A 1 67.619 -10.442 -3.248 1.00 52.45 H new ATOM 0 HB2 MET A 1 68.211 -10.491 -5.664 1.00 1.32 H new ATOM 0 HB3 MET A 1 66.533 -10.221 -6.091 1.00 1.32 H new ATOM 0 HG2 MET A 1 67.859 -8.154 -6.265 1.00 73.50 H new ATOM 0 HG3 MET A 1 66.574 -7.998 -5.084 1.00 73.50 H new ATOM 0 HE1 MET A 1 71.065 -8.517 -4.073 1.00 72.31 H new ATOM 0 HE2 MET A 1 70.066 -9.962 -4.356 1.00 72.31 H new ATOM 0 HE3 MET A 1 70.304 -8.776 -5.661 1.00 72.31 H new ATOM 20 N LYS A 2 65.659 -8.980 -2.630 1.00 21.42 N ATOM 21 CA LYS A 2 64.482 -8.270 -2.110 1.00 51.11 C ATOM 22 C LYS A 2 64.129 -7.057 -2.989 1.00 1.01 C ATOM 23 O LYS A 2 64.789 -6.018 -2.931 1.00 54.23 O ATOM 24 CB LYS A 2 64.731 -7.809 -0.666 1.00 50.02 C ATOM 25 CG LYS A 2 65.075 -8.941 0.298 1.00 34.03 C ATOM 26 CD LYS A 2 65.295 -8.423 1.719 1.00 40.21 C ATOM 27 CE LYS A 2 66.423 -7.396 1.782 1.00 52.31 C ATOM 28 NZ LYS A 2 66.576 -6.812 3.140 1.00 30.22 N ATOM 0 H LYS A 2 66.549 -8.651 -2.255 1.00 21.42 H new ATOM 0 HA LYS A 2 63.641 -8.964 -2.127 1.00 51.11 H new ATOM 0 HB2 LYS A 2 65.544 -7.083 -0.663 1.00 50.02 H new ATOM 0 HB3 LYS A 2 63.842 -7.293 -0.302 1.00 50.02 H new ATOM 0 HG2 LYS A 2 64.270 -9.676 0.299 1.00 34.03 H new ATOM 0 HG3 LYS A 2 65.974 -9.453 -0.047 1.00 34.03 H new ATOM 0 HD2 LYS A 2 64.373 -7.973 2.088 1.00 40.21 H new ATOM 0 HD3 LYS A 2 65.528 -9.259 2.378 1.00 40.21 H new ATOM 0 HE2 LYS A 2 67.359 -7.868 1.484 1.00 52.31 H new ATOM 0 HE3 LYS A 2 66.226 -6.598 1.066 1.00 52.31 H new ATOM 0 HZ1 LYS A 2 67.353 -6.121 3.135 1.00 30.22 H new ATOM 0 HZ2 LYS A 2 65.692 -6.338 3.416 1.00 30.22 H new ATOM 0 HZ3 LYS A 2 66.790 -7.568 3.821 1.00 30.22 H new ATOM 42 N LYS A 3 63.092 -7.199 -3.808 1.00 45.20 N ATOM 43 CA LYS A 3 62.651 -6.119 -4.703 1.00 21.15 C ATOM 44 C LYS A 3 61.282 -5.571 -4.282 1.00 63.11 C ATOM 45 O LYS A 3 60.500 -6.260 -3.626 1.00 42.21 O ATOM 46 CB LYS A 3 62.567 -6.632 -6.148 1.00 63.31 C ATOM 47 CG LYS A 3 63.909 -7.044 -6.747 1.00 25.31 C ATOM 48 CD LYS A 3 63.740 -7.650 -8.139 1.00 11.04 C ATOM 49 CE LYS A 3 63.023 -6.699 -9.092 1.00 72.41 C ATOM 50 NZ LYS A 3 62.757 -7.322 -10.415 1.00 62.35 N ATOM 0 H LYS A 3 62.536 -8.051 -3.875 1.00 45.20 H new ATOM 0 HA LYS A 3 63.383 -5.314 -4.638 1.00 21.15 H new ATOM 0 HB2 LYS A 3 61.891 -7.486 -6.179 1.00 63.31 H new ATOM 0 HB3 LYS A 3 62.127 -5.854 -6.772 1.00 63.31 H new ATOM 0 HG2 LYS A 3 64.565 -6.175 -6.805 1.00 25.31 H new ATOM 0 HG3 LYS A 3 64.395 -7.767 -6.091 1.00 25.31 H new ATOM 0 HD2 LYS A 3 64.719 -7.902 -8.546 1.00 11.04 H new ATOM 0 HD3 LYS A 3 63.177 -8.581 -8.064 1.00 11.04 H new ATOM 0 HE2 LYS A 3 62.080 -6.383 -8.645 1.00 72.41 H new ATOM 0 HE3 LYS A 3 63.627 -5.802 -9.230 1.00 72.41 H new ATOM 0 HZ1 LYS A 3 62.269 -6.639 -11.029 1.00 62.35 H new ATOM 0 HZ2 LYS A 3 63.657 -7.601 -10.855 1.00 62.35 H new ATOM 0 HZ3 LYS A 3 62.159 -8.163 -10.289 1.00 62.35 H new ATOM 64 N LEU A 4 60.995 -4.324 -4.653 1.00 5.13 N ATOM 65 CA LEU A 4 59.665 -3.757 -4.430 1.00 41.04 C ATOM 66 C LEU A 4 58.688 -4.262 -5.502 1.00 13.50 C ATOM 67 O LEU A 4 58.839 -3.953 -6.686 1.00 74.11 O ATOM 68 CB LEU A 4 59.712 -2.220 -4.432 1.00 10.51 C ATOM 69 CG LEU A 4 60.560 -1.581 -3.318 1.00 34.22 C ATOM 70 CD1 LEU A 4 60.483 -0.054 -3.381 1.00 70.32 C ATOM 71 CD2 LEU A 4 60.123 -2.087 -1.944 1.00 65.21 C ATOM 0 H LEU A 4 61.657 -3.693 -5.104 1.00 5.13 H new ATOM 0 HA LEU A 4 59.316 -4.083 -3.450 1.00 41.04 H new ATOM 0 HB2 LEU A 4 60.099 -1.887 -5.395 1.00 10.51 H new ATOM 0 HB3 LEU A 4 58.693 -1.843 -4.350 1.00 10.51 H new ATOM 0 HG LEU A 4 61.598 -1.875 -3.475 1.00 34.22 H new ATOM 0 HD11 LEU A 4 61.090 0.374 -2.584 1.00 70.32 H new ATOM 0 HD12 LEU A 4 60.856 0.290 -4.346 1.00 70.32 H new ATOM 0 HD13 LEU A 4 59.447 0.263 -3.258 1.00 70.32 H new ATOM 0 HD21 LEU A 4 60.737 -1.621 -1.173 1.00 65.21 H new ATOM 0 HD22 LEU A 4 59.076 -1.832 -1.778 1.00 65.21 H new ATOM 0 HD23 LEU A 4 60.244 -3.169 -1.900 1.00 65.21 H new ATOM 83 N VAL A 5 57.706 -5.059 -5.084 1.00 35.13 N ATOM 84 CA VAL A 5 56.714 -5.623 -6.004 1.00 65.53 C ATOM 85 C VAL A 5 55.990 -4.529 -6.812 1.00 50.33 C ATOM 86 O VAL A 5 55.728 -4.698 -8.006 1.00 5.24 O ATOM 87 CB VAL A 5 55.669 -6.480 -5.239 1.00 75.10 C ATOM 88 CG1 VAL A 5 54.941 -5.649 -4.181 1.00 73.53 C ATOM 89 CG2 VAL A 5 54.675 -7.125 -6.204 1.00 20.30 C ATOM 0 H VAL A 5 57.574 -5.331 -4.110 1.00 35.13 H new ATOM 0 HA VAL A 5 57.260 -6.259 -6.701 1.00 65.53 H new ATOM 0 HB VAL A 5 56.207 -7.278 -4.726 1.00 75.10 H new ATOM 0 HG11 VAL A 5 54.216 -6.276 -3.662 1.00 73.53 H new ATOM 0 HG12 VAL A 5 55.663 -5.260 -3.464 1.00 73.53 H new ATOM 0 HG13 VAL A 5 54.424 -4.819 -4.663 1.00 73.53 H new ATOM 0 HG21 VAL A 5 53.955 -7.719 -5.641 1.00 20.30 H new ATOM 0 HG22 VAL A 5 54.150 -6.348 -6.759 1.00 20.30 H new ATOM 0 HG23 VAL A 5 55.211 -7.769 -6.901 1.00 20.30 H new ATOM 99 N THR A 6 55.702 -3.403 -6.154 1.00 40.44 N ATOM 100 CA THR A 6 54.938 -2.299 -6.760 1.00 53.13 C ATOM 101 C THR A 6 53.635 -2.808 -7.391 1.00 2.41 C ATOM 102 O THR A 6 53.566 -3.056 -8.595 1.00 44.43 O ATOM 103 CB THR A 6 55.761 -1.525 -7.827 1.00 52.51 C ATOM 104 OG1 THR A 6 57.011 -1.091 -7.266 1.00 14.14 O ATOM 105 CG2 THR A 6 54.990 -0.312 -8.346 1.00 62.02 C ATOM 0 H THR A 6 55.988 -3.227 -5.191 1.00 40.44 H new ATOM 0 HA THR A 6 54.703 -1.610 -5.949 1.00 53.13 H new ATOM 0 HB THR A 6 55.947 -2.201 -8.661 1.00 52.51 H new ATOM 0 HG1 THR A 6 57.524 -0.606 -7.946 1.00 14.14 H new ATOM 0 HG21 THR A 6 55.591 0.210 -9.091 1.00 62.02 H new ATOM 0 HG22 THR A 6 54.055 -0.642 -8.800 1.00 62.02 H new ATOM 0 HG23 THR A 6 54.773 0.363 -7.518 1.00 62.02 H new ATOM 113 N ALA A 7 52.609 -2.985 -6.563 1.00 23.15 N ATOM 114 CA ALA A 7 51.331 -3.541 -7.019 1.00 74.22 C ATOM 115 C ALA A 7 50.149 -2.984 -6.214 1.00 3.11 C ATOM 116 O ALA A 7 50.321 -2.508 -5.087 1.00 73.14 O ATOM 117 CB ALA A 7 51.372 -5.066 -6.928 1.00 70.10 C ATOM 0 H ALA A 7 52.634 -2.752 -5.570 1.00 23.15 H new ATOM 0 HA ALA A 7 51.182 -3.244 -8.057 1.00 74.22 H new ATOM 0 HB1 ALA A 7 50.421 -5.476 -7.267 1.00 70.10 H new ATOM 0 HB2 ALA A 7 52.177 -5.447 -7.557 1.00 70.10 H new ATOM 0 HB3 ALA A 7 51.548 -5.364 -5.894 1.00 70.10 H new ATOM 123 N THR A 8 48.955 -3.049 -6.797 1.00 51.21 N ATOM 124 CA THR A 8 47.736 -2.551 -6.152 1.00 54.10 C ATOM 125 C THR A 8 47.452 -3.298 -4.839 1.00 14.31 C ATOM 126 O THR A 8 46.882 -4.392 -4.836 1.00 23.31 O ATOM 127 CB THR A 8 46.511 -2.677 -7.094 1.00 63.13 C ATOM 128 OG1 THR A 8 46.760 -1.970 -8.318 1.00 60.34 O ATOM 129 CG2 THR A 8 45.248 -2.127 -6.445 1.00 30.12 C ATOM 0 H THR A 8 48.802 -3.445 -7.724 1.00 51.21 H new ATOM 0 HA THR A 8 47.903 -1.497 -5.928 1.00 54.10 H new ATOM 0 HB THR A 8 46.359 -3.737 -7.299 1.00 63.13 H new ATOM 0 HG1 THR A 8 45.983 -2.055 -8.909 1.00 60.34 H new ATOM 0 HG21 THR A 8 44.410 -2.232 -7.134 1.00 30.12 H new ATOM 0 HG22 THR A 8 45.038 -2.682 -5.531 1.00 30.12 H new ATOM 0 HG23 THR A 8 45.391 -1.073 -6.205 1.00 30.12 H new ATOM 137 N THR A 9 47.883 -2.713 -3.729 1.00 42.13 N ATOM 138 CA THR A 9 47.680 -3.309 -2.404 1.00 1.11 C ATOM 139 C THR A 9 46.697 -2.487 -1.570 1.00 21.45 C ATOM 140 O THR A 9 46.979 -1.338 -1.221 1.00 33.11 O ATOM 141 CB THR A 9 49.013 -3.428 -1.633 1.00 50.30 C ATOM 142 OG1 THR A 9 49.957 -4.190 -2.406 1.00 44.15 O ATOM 143 CG2 THR A 9 48.808 -4.092 -0.273 1.00 12.30 C ATOM 0 H THR A 9 48.379 -1.822 -3.715 1.00 42.13 H new ATOM 0 HA THR A 9 47.268 -4.305 -2.567 1.00 1.11 H new ATOM 0 HB THR A 9 49.399 -2.422 -1.467 1.00 50.30 H new ATOM 0 HG1 THR A 9 50.161 -3.712 -3.237 1.00 44.15 H new ATOM 0 HG21 THR A 9 49.764 -4.162 0.246 1.00 12.30 H new ATOM 0 HG22 THR A 9 48.115 -3.497 0.322 1.00 12.30 H new ATOM 0 HG23 THR A 9 48.398 -5.092 -0.414 1.00 12.30 H new ATOM 151 N LEU A 10 45.540 -3.081 -1.268 1.00 4.51 N ATOM 152 CA LEU A 10 44.505 -2.433 -0.448 1.00 33.34 C ATOM 153 C LEU A 10 43.989 -1.146 -1.126 1.00 32.52 C ATOM 154 O LEU A 10 43.543 -0.206 -0.468 1.00 15.04 O ATOM 155 CB LEU A 10 45.059 -2.134 0.966 1.00 33.21 C ATOM 156 CG LEU A 10 44.116 -2.472 2.139 1.00 73.44 C ATOM 157 CD1 LEU A 10 44.818 -2.251 3.476 1.00 12.10 C ATOM 158 CD2 LEU A 10 42.826 -1.654 2.070 1.00 53.51 C ATOM 0 H LEU A 10 45.292 -4.019 -1.581 1.00 4.51 H new ATOM 0 HA LEU A 10 43.660 -3.115 -0.351 1.00 33.34 H new ATOM 0 HB2 LEU A 10 45.987 -2.691 1.098 1.00 33.21 H new ATOM 0 HB3 LEU A 10 45.312 -1.075 1.021 1.00 33.21 H new ATOM 0 HG LEU A 10 43.849 -3.526 2.056 1.00 73.44 H new ATOM 0 HD11 LEU A 10 44.135 -2.495 4.290 1.00 12.10 H new ATOM 0 HD12 LEU A 10 45.698 -2.892 3.535 1.00 12.10 H new ATOM 0 HD13 LEU A 10 45.123 -1.208 3.559 1.00 12.10 H new ATOM 0 HD21 LEU A 10 42.184 -1.916 2.911 1.00 53.51 H new ATOM 0 HD22 LEU A 10 43.066 -0.592 2.114 1.00 53.51 H new ATOM 0 HD23 LEU A 10 42.308 -1.870 1.136 1.00 53.51 H new ATOM 170 N THR A 11 44.044 -1.120 -2.455 1.00 3.15 N ATOM 171 CA THR A 11 43.572 0.030 -3.237 1.00 20.45 C ATOM 172 C THR A 11 42.452 -0.390 -4.194 1.00 42.13 C ATOM 173 O THR A 11 42.595 -1.356 -4.945 1.00 61.33 O ATOM 174 CB THR A 11 44.722 0.678 -4.053 1.00 72.23 C ATOM 175 OG1 THR A 11 45.787 1.073 -3.172 1.00 63.24 O ATOM 176 CG2 THR A 11 44.232 1.894 -4.842 1.00 63.01 C ATOM 0 H THR A 11 44.412 -1.885 -3.020 1.00 3.15 H new ATOM 0 HA THR A 11 43.192 0.765 -2.527 1.00 20.45 H new ATOM 0 HB THR A 11 45.087 -0.065 -4.763 1.00 72.23 H new ATOM 0 HG1 THR A 11 46.510 1.479 -3.694 1.00 63.24 H new ATOM 0 HG21 THR A 11 45.063 2.323 -5.402 1.00 63.01 H new ATOM 0 HG22 THR A 11 43.448 1.587 -5.534 1.00 63.01 H new ATOM 0 HG23 THR A 11 43.835 2.639 -4.153 1.00 63.01 H new ATOM 184 N ALA A 12 41.336 0.334 -4.159 1.00 73.44 N ATOM 185 CA ALA A 12 40.176 0.013 -4.998 1.00 74.00 C ATOM 186 C ALA A 12 39.551 1.267 -5.630 1.00 55.45 C ATOM 187 O ALA A 12 38.989 1.207 -6.728 1.00 71.43 O ATOM 188 CB ALA A 12 39.136 -0.735 -4.174 1.00 52.54 C ATOM 0 H ALA A 12 41.207 1.149 -3.559 1.00 73.44 H new ATOM 0 HA ALA A 12 40.524 -0.620 -5.815 1.00 74.00 H new ATOM 0 HB1 ALA A 12 38.276 -0.971 -4.801 1.00 52.54 H new ATOM 0 HB2 ALA A 12 39.571 -1.658 -3.791 1.00 52.54 H new ATOM 0 HB3 ALA A 12 38.816 -0.111 -3.339 1.00 52.54 H new ATOM 194 N GLY A 13 39.647 2.400 -4.936 1.00 11.21 N ATOM 195 CA GLY A 13 39.049 3.638 -5.431 1.00 51.32 C ATOM 196 C GLY A 13 37.545 3.705 -5.188 1.00 14.40 C ATOM 197 O GLY A 13 36.748 3.712 -6.130 1.00 1.43 O ATOM 0 H GLY A 13 40.127 2.486 -4.040 1.00 11.21 H new ATOM 0 HA2 GLY A 13 39.529 4.488 -4.946 1.00 51.32 H new ATOM 0 HA3 GLY A 13 39.244 3.729 -6.499 1.00 51.32 H new ATOM 201 N ILE A 14 37.151 3.763 -3.916 1.00 24.05 N ATOM 202 CA ILE A 14 35.732 3.788 -3.542 1.00 31.42 C ATOM 203 C ILE A 14 35.108 5.166 -3.835 1.00 3.42 C ATOM 204 O ILE A 14 35.046 6.045 -2.968 1.00 51.21 O ATOM 205 CB ILE A 14 35.506 3.407 -2.043 1.00 32.50 C ATOM 206 CG1 ILE A 14 35.975 1.963 -1.752 1.00 33.30 C ATOM 207 CG2 ILE A 14 34.032 3.565 -1.659 1.00 73.52 C ATOM 208 CD1 ILE A 14 37.476 1.757 -1.816 1.00 2.02 C ATOM 0 H ILE A 14 37.793 3.794 -3.124 1.00 24.05 H new ATOM 0 HA ILE A 14 35.236 3.034 -4.153 1.00 31.42 H new ATOM 0 HB ILE A 14 36.104 4.089 -1.439 1.00 32.50 H new ATOM 0 HG12 ILE A 14 35.625 1.675 -0.761 1.00 33.30 H new ATOM 0 HG13 ILE A 14 35.499 1.291 -2.466 1.00 33.30 H new ATOM 0 HG21 ILE A 14 33.898 3.294 -0.612 1.00 73.52 H new ATOM 0 HG22 ILE A 14 33.726 4.600 -1.808 1.00 73.52 H new ATOM 0 HG23 ILE A 14 33.421 2.913 -2.283 1.00 73.52 H new ATOM 0 HD11 ILE A 14 37.710 0.715 -1.598 1.00 2.02 H new ATOM 0 HD12 ILE A 14 37.836 2.009 -2.814 1.00 2.02 H new ATOM 0 HD13 ILE A 14 37.963 2.399 -1.082 1.00 2.02 H new ATOM 220 N GLY A 15 34.686 5.354 -5.083 1.00 61.01 N ATOM 221 CA GLY A 15 34.048 6.601 -5.490 1.00 42.31 C ATOM 222 C GLY A 15 33.623 6.592 -6.957 1.00 60.21 C ATOM 223 O GLY A 15 34.352 6.093 -7.815 1.00 61.53 O ATOM 0 H GLY A 15 34.774 4.661 -5.826 1.00 61.01 H new ATOM 0 HA2 GLY A 15 33.174 6.779 -4.863 1.00 42.31 H new ATOM 0 HA3 GLY A 15 34.736 7.429 -5.320 1.00 42.31 H new ATOM 227 N ALA A 16 32.442 7.141 -7.244 1.00 13.14 N ATOM 228 CA ALA A 16 31.914 7.173 -8.613 1.00 0.30 C ATOM 229 C ALA A 16 30.782 8.205 -8.755 1.00 4.45 C ATOM 230 O ALA A 16 29.667 7.996 -8.265 1.00 23.40 O ATOM 231 CB ALA A 16 31.423 5.784 -9.016 1.00 32.43 C ATOM 0 H ALA A 16 31.831 7.570 -6.549 1.00 13.14 H new ATOM 0 HA ALA A 16 32.721 7.474 -9.280 1.00 0.30 H new ATOM 0 HB1 ALA A 16 31.033 5.817 -10.033 1.00 32.43 H new ATOM 0 HB2 ALA A 16 32.251 5.077 -8.968 1.00 32.43 H new ATOM 0 HB3 ALA A 16 30.634 5.465 -8.335 1.00 32.43 H new ATOM 237 N ALA A 17 31.072 9.320 -9.419 1.00 42.42 N ATOM 238 CA ALA A 17 30.081 10.382 -9.628 1.00 10.13 C ATOM 239 C ALA A 17 29.099 10.033 -10.761 1.00 41.24 C ATOM 240 O ALA A 17 29.115 10.639 -11.836 1.00 24.22 O ATOM 241 CB ALA A 17 30.782 11.707 -9.908 1.00 52.40 C ATOM 0 H ALA A 17 31.987 9.516 -9.825 1.00 42.42 H new ATOM 0 HA ALA A 17 29.496 10.478 -8.713 1.00 10.13 H new ATOM 0 HB1 ALA A 17 30.037 12.488 -10.061 1.00 52.40 H new ATOM 0 HB2 ALA A 17 31.414 11.970 -9.060 1.00 52.40 H new ATOM 0 HB3 ALA A 17 31.397 11.611 -10.803 1.00 52.40 H new ATOM 247 N ILE A 18 28.250 9.038 -10.512 1.00 3.23 N ATOM 248 CA ILE A 18 27.260 8.592 -11.499 1.00 54.22 C ATOM 249 C ILE A 18 25.994 9.468 -11.463 1.00 3.25 C ATOM 250 O ILE A 18 25.232 9.522 -12.428 1.00 31.24 O ATOM 251 CB ILE A 18 26.878 7.102 -11.267 1.00 50.45 C ATOM 252 CG1 ILE A 18 25.909 6.603 -12.359 1.00 62.50 C ATOM 253 CG2 ILE A 18 26.276 6.907 -9.873 1.00 22.24 C ATOM 254 CD1 ILE A 18 25.532 5.141 -12.222 1.00 34.32 C ATOM 0 H ILE A 18 28.225 8.522 -9.633 1.00 3.23 H new ATOM 0 HA ILE A 18 27.718 8.691 -12.483 1.00 54.22 H new ATOM 0 HB ILE A 18 27.789 6.507 -11.330 1.00 50.45 H new ATOM 0 HG12 ILE A 18 25.002 7.207 -12.330 1.00 62.50 H new ATOM 0 HG13 ILE A 18 26.366 6.761 -13.336 1.00 62.50 H new ATOM 0 HG21 ILE A 18 26.016 5.858 -9.732 1.00 22.24 H new ATOM 0 HG22 ILE A 18 27.003 7.205 -9.118 1.00 22.24 H new ATOM 0 HG23 ILE A 18 25.379 7.519 -9.775 1.00 22.24 H new ATOM 0 HD11 ILE A 18 24.849 4.865 -13.025 1.00 34.32 H new ATOM 0 HD12 ILE A 18 26.430 4.526 -12.282 1.00 34.32 H new ATOM 0 HD13 ILE A 18 25.045 4.979 -11.260 1.00 34.32 H new ATOM 266 N VAL A 19 25.782 10.166 -10.348 1.00 30.45 N ATOM 267 CA VAL A 19 24.609 11.035 -10.188 1.00 52.53 C ATOM 268 C VAL A 19 24.792 12.397 -10.896 1.00 70.23 C ATOM 269 O VAL A 19 25.494 13.290 -10.408 1.00 24.13 O ATOM 270 CB VAL A 19 24.267 11.250 -8.685 1.00 2.31 C ATOM 271 CG1 VAL A 19 25.482 11.760 -7.907 1.00 63.32 C ATOM 272 CG2 VAL A 19 23.077 12.198 -8.520 1.00 15.54 C ATOM 0 H VAL A 19 26.405 10.149 -9.540 1.00 30.45 H new ATOM 0 HA VAL A 19 23.774 10.523 -10.666 1.00 52.53 H new ATOM 0 HB VAL A 19 23.986 10.282 -8.270 1.00 2.31 H new ATOM 0 HG11 VAL A 19 25.211 11.900 -6.861 1.00 63.32 H new ATOM 0 HG12 VAL A 19 26.291 11.033 -7.978 1.00 63.32 H new ATOM 0 HG13 VAL A 19 25.810 12.711 -8.327 1.00 63.32 H new ATOM 0 HG21 VAL A 19 22.861 12.329 -7.460 1.00 15.54 H new ATOM 0 HG22 VAL A 19 23.317 13.164 -8.964 1.00 15.54 H new ATOM 0 HG23 VAL A 19 22.204 11.777 -9.019 1.00 15.54 H new ATOM 282 N GLY A 20 24.162 12.535 -12.062 1.00 22.53 N ATOM 283 CA GLY A 20 24.211 13.792 -12.808 1.00 55.42 C ATOM 284 C GLY A 20 22.952 14.030 -13.639 1.00 14.04 C ATOM 285 O GLY A 20 23.026 14.323 -14.835 1.00 73.34 O ATOM 0 H GLY A 20 23.616 11.798 -12.508 1.00 22.53 H new ATOM 0 HA2 GLY A 20 24.344 14.619 -12.111 1.00 55.42 H new ATOM 0 HA3 GLY A 20 25.080 13.787 -13.465 1.00 55.42 H new ATOM 289 N LEU A 21 21.790 13.913 -12.999 1.00 41.04 N ATOM 290 CA LEU A 21 20.500 14.066 -13.685 1.00 52.41 C ATOM 291 C LEU A 21 19.439 14.697 -12.769 1.00 4.25 C ATOM 292 O LEU A 21 19.644 14.829 -11.561 1.00 32.02 O ATOM 293 CB LEU A 21 20.025 12.700 -14.225 1.00 3.12 C ATOM 294 CG LEU A 21 20.161 11.502 -13.257 1.00 62.44 C ATOM 295 CD1 LEU A 21 19.140 11.567 -12.121 1.00 40.42 C ATOM 296 CD2 LEU A 21 20.035 10.183 -14.014 1.00 52.34 C ATOM 0 H LEU A 21 21.711 13.712 -12.002 1.00 41.04 H new ATOM 0 HA LEU A 21 20.641 14.747 -14.524 1.00 52.41 H new ATOM 0 HB2 LEU A 21 18.978 12.791 -14.514 1.00 3.12 H new ATOM 0 HB3 LEU A 21 20.587 12.475 -15.131 1.00 3.12 H new ATOM 0 HG LEU A 21 21.153 11.558 -12.809 1.00 62.44 H new ATOM 0 HD11 LEU A 21 19.271 10.707 -11.465 1.00 40.42 H new ATOM 0 HD12 LEU A 21 19.288 12.484 -11.551 1.00 40.42 H new ATOM 0 HD13 LEU A 21 18.132 11.557 -12.536 1.00 40.42 H new ATOM 0 HD21 LEU A 21 20.133 9.352 -13.316 1.00 52.34 H new ATOM 0 HD22 LEU A 21 19.061 10.135 -14.501 1.00 52.34 H new ATOM 0 HD23 LEU A 21 20.821 10.119 -14.767 1.00 52.34 H new ATOM 308 N ASP A 22 18.311 15.091 -13.357 1.00 42.23 N ATOM 309 CA ASP A 22 17.219 15.717 -12.598 1.00 43.20 C ATOM 310 C ASP A 22 16.062 14.734 -12.308 1.00 30.10 C ATOM 311 O ASP A 22 15.932 14.234 -11.191 1.00 61.24 O ATOM 312 CB ASP A 22 16.716 16.969 -13.335 1.00 64.03 C ATOM 313 CG ASP A 22 16.466 16.726 -14.816 1.00 33.34 C ATOM 314 OD1 ASP A 22 17.443 16.714 -15.597 1.00 63.42 O ATOM 315 OD2 ASP A 22 15.294 16.532 -15.205 1.00 33.23 O ATOM 0 H ASP A 22 18.125 14.990 -14.355 1.00 42.23 H new ATOM 0 HA ASP A 22 17.618 16.014 -11.628 1.00 43.20 H new ATOM 0 HB2 ASP A 22 15.793 17.313 -12.868 1.00 64.03 H new ATOM 0 HB3 ASP A 22 17.448 17.769 -13.222 1.00 64.03 H new ATOM 320 N HIS A 23 15.221 14.467 -13.316 1.00 11.12 N ATOM 321 CA HIS A 23 14.046 13.594 -13.158 1.00 71.41 C ATOM 322 C HIS A 23 13.263 13.455 -14.476 1.00 34.02 C ATOM 323 O HIS A 23 12.679 12.408 -14.752 1.00 64.20 O ATOM 324 CB HIS A 23 13.112 14.106 -12.045 1.00 23.44 C ATOM 325 CG HIS A 23 12.772 15.565 -12.145 1.00 41.11 C ATOM 326 ND1 HIS A 23 11.776 16.060 -12.961 1.00 31.52 N ATOM 327 CD2 HIS A 23 13.299 16.642 -11.514 1.00 23.44 C ATOM 328 CE1 HIS A 23 11.711 17.370 -12.829 1.00 61.11 C ATOM 329 NE2 HIS A 23 12.622 17.748 -11.957 1.00 52.21 N ATOM 0 H HIS A 23 15.332 14.845 -14.257 1.00 11.12 H new ATOM 0 HA HIS A 23 14.419 12.610 -12.874 1.00 71.41 H new ATOM 0 HB2 HIS A 23 12.188 13.528 -12.067 1.00 23.44 H new ATOM 0 HB3 HIS A 23 13.581 13.920 -11.079 1.00 23.44 H new ATOM 0 HD1 HIS A 23 11.182 15.499 -13.572 1.00 31.52 H new ATOM 0 HD2 HIS A 23 14.104 16.631 -10.794 1.00 23.44 H new ATOM 0 HE1 HIS A 23 11.026 18.023 -13.349 1.00 61.11 H new ATOM 338 N GLY A 24 13.244 14.516 -15.284 1.00 74.11 N ATOM 339 CA GLY A 24 12.540 14.477 -16.565 1.00 1.11 C ATOM 340 C GLY A 24 11.047 14.778 -16.445 1.00 54.31 C ATOM 341 O GLY A 24 10.571 15.799 -16.938 1.00 21.41 O ATOM 0 H GLY A 24 13.703 15.403 -15.077 1.00 74.11 H new ATOM 0 HA2 GLY A 24 12.995 15.198 -17.244 1.00 1.11 H new ATOM 0 HA3 GLY A 24 12.670 13.492 -17.013 1.00 1.11 H new ATOM 345 N ASN A 25 10.309 13.883 -15.790 1.00 51.25 N ATOM 346 CA ASN A 25 8.857 14.046 -15.608 1.00 31.33 C ATOM 347 C ASN A 25 8.509 15.255 -14.717 1.00 51.23 C ATOM 348 O ASN A 25 9.383 15.856 -14.089 1.00 13.24 O ATOM 349 CB ASN A 25 8.260 12.776 -14.999 1.00 45.45 C ATOM 350 CG ASN A 25 8.881 12.447 -13.657 1.00 42.13 C ATOM 351 OD1 ASN A 25 8.422 12.900 -12.616 1.00 62.40 O ATOM 352 ND2 ASN A 25 9.929 11.653 -13.671 1.00 0.22 N ATOM 0 H ASN A 25 10.689 13.033 -15.373 1.00 51.25 H new ATOM 0 HA ASN A 25 8.429 14.227 -16.594 1.00 31.33 H new ATOM 0 HB2 ASN A 25 7.184 12.902 -14.880 1.00 45.45 H new ATOM 0 HB3 ASN A 25 8.410 11.940 -15.683 1.00 45.45 H new ATOM 0 HD21 ASN A 25 10.386 11.396 -12.796 1.00 0.22 H new ATOM 0 HD22 ASN A 25 10.285 11.294 -14.557 1.00 0.22 H new ATOM 359 N GLU A 26 7.220 15.582 -14.651 1.00 41.52 N ATOM 360 CA GLU A 26 6.737 16.731 -13.871 1.00 62.51 C ATOM 361 C GLU A 26 5.444 16.400 -13.100 1.00 32.42 C ATOM 362 O GLU A 26 4.595 15.643 -13.577 1.00 64.44 O ATOM 363 CB GLU A 26 6.491 17.921 -14.813 1.00 42.11 C ATOM 364 CG GLU A 26 5.773 19.102 -14.163 1.00 21.50 C ATOM 365 CD GLU A 26 5.453 20.218 -15.146 1.00 13.45 C ATOM 366 OE1 GLU A 26 4.909 19.921 -16.233 1.00 22.13 O ATOM 367 OE2 GLU A 26 5.745 21.394 -14.836 1.00 50.33 O ATOM 0 H GLU A 26 6.482 15.066 -15.131 1.00 41.52 H new ATOM 0 HA GLU A 26 7.502 16.985 -13.137 1.00 62.51 H new ATOM 0 HB2 GLU A 26 7.449 18.264 -15.203 1.00 42.11 H new ATOM 0 HB3 GLU A 26 5.904 17.579 -15.665 1.00 42.11 H new ATOM 0 HG2 GLU A 26 4.847 18.751 -13.707 1.00 21.50 H new ATOM 0 HG3 GLU A 26 6.393 19.500 -13.360 1.00 21.50 H new ATOM 374 N ALA A 27 5.311 16.964 -11.898 1.00 21.04 N ATOM 375 CA ALA A 27 4.066 16.869 -11.124 1.00 63.33 C ATOM 376 C ALA A 27 3.148 18.055 -11.456 1.00 40.02 C ATOM 377 O ALA A 27 3.258 19.130 -10.859 1.00 22.43 O ATOM 378 CB ALA A 27 4.369 16.819 -9.629 1.00 74.02 C ATOM 0 H ALA A 27 6.051 17.493 -11.436 1.00 21.04 H new ATOM 0 HA ALA A 27 3.552 15.947 -11.395 1.00 63.33 H new ATOM 0 HB1 ALA A 27 3.435 16.749 -9.071 1.00 74.02 H new ATOM 0 HB2 ALA A 27 4.988 15.948 -9.412 1.00 74.02 H new ATOM 0 HB3 ALA A 27 4.900 17.724 -9.335 1.00 74.02 H new ATOM 384 N ASP A 28 2.258 17.852 -12.424 1.00 0.30 N ATOM 385 CA ASP A 28 1.437 18.932 -12.983 1.00 11.03 C ATOM 386 C ASP A 28 0.214 19.288 -12.095 1.00 23.13 C ATOM 387 O ASP A 28 0.277 19.196 -10.864 1.00 61.32 O ATOM 388 CB ASP A 28 1.006 18.539 -14.401 1.00 1.04 C ATOM 389 CG ASP A 28 0.209 17.245 -14.435 1.00 32.10 C ATOM 390 OD1 ASP A 28 0.825 16.159 -14.361 1.00 30.52 O ATOM 391 OD2 ASP A 28 -1.033 17.314 -14.543 1.00 52.13 O ATOM 0 H ASP A 28 2.083 16.939 -12.844 1.00 0.30 H new ATOM 0 HA ASP A 28 2.042 19.838 -13.016 1.00 11.03 H new ATOM 0 HB2 ASP A 28 0.406 19.342 -14.829 1.00 1.04 H new ATOM 0 HB3 ASP A 28 1.891 18.433 -15.029 1.00 1.04 H new ATOM 396 N ALA A 29 -0.885 19.722 -12.726 1.00 13.11 N ATOM 397 CA ALA A 29 -2.054 20.251 -12.008 1.00 73.20 C ATOM 398 C ALA A 29 -2.824 19.171 -11.226 1.00 32.22 C ATOM 399 O ALA A 29 -3.707 18.503 -11.765 1.00 1.24 O ATOM 400 CB ALA A 29 -2.987 20.964 -12.984 1.00 71.42 C ATOM 0 H ALA A 29 -0.990 19.717 -13.741 1.00 13.11 H new ATOM 0 HA ALA A 29 -1.677 20.959 -11.270 1.00 73.20 H new ATOM 0 HB1 ALA A 29 -3.850 21.353 -12.444 1.00 71.42 H new ATOM 0 HB2 ALA A 29 -2.455 21.788 -13.460 1.00 71.42 H new ATOM 0 HB3 ALA A 29 -3.322 20.261 -13.746 1.00 71.42 H new ATOM 406 N ALA A 30 -2.470 19.006 -9.955 1.00 20.20 N ATOM 407 CA ALA A 30 -3.200 18.123 -9.034 1.00 64.23 C ATOM 408 C ALA A 30 -3.668 18.911 -7.801 1.00 51.41 C ATOM 409 O ALA A 30 -2.899 19.682 -7.228 1.00 32.22 O ATOM 410 CB ALA A 30 -2.320 16.947 -8.616 1.00 53.12 C ATOM 0 H ALA A 30 -1.672 19.477 -9.529 1.00 20.20 H new ATOM 0 HA ALA A 30 -4.078 17.731 -9.548 1.00 64.23 H new ATOM 0 HB1 ALA A 30 -2.874 16.302 -7.934 1.00 53.12 H new ATOM 0 HB2 ALA A 30 -2.030 16.378 -9.499 1.00 53.12 H new ATOM 0 HB3 ALA A 30 -1.426 17.321 -8.116 1.00 53.12 H new ATOM 416 N GLU A 31 -4.926 18.724 -7.400 1.00 64.01 N ATOM 417 CA GLU A 31 -5.491 19.476 -6.268 1.00 21.33 C ATOM 418 C GLU A 31 -5.071 18.866 -4.921 1.00 30.52 C ATOM 419 O GLU A 31 -4.865 19.580 -3.937 1.00 33.43 O ATOM 420 CB GLU A 31 -7.029 19.551 -6.358 1.00 30.13 C ATOM 421 CG GLU A 31 -7.763 18.233 -6.099 1.00 62.03 C ATOM 422 CD GLU A 31 -7.599 17.208 -7.214 1.00 40.20 C ATOM 423 OE1 GLU A 31 -6.578 16.488 -7.222 1.00 65.23 O ATOM 424 OE2 GLU A 31 -8.497 17.110 -8.077 1.00 33.05 O ATOM 0 H GLU A 31 -5.572 18.065 -7.835 1.00 64.01 H new ATOM 0 HA GLU A 31 -5.090 20.488 -6.325 1.00 21.33 H new ATOM 0 HB2 GLU A 31 -7.383 20.292 -5.641 1.00 30.13 H new ATOM 0 HB3 GLU A 31 -7.302 19.911 -7.350 1.00 30.13 H new ATOM 0 HG2 GLU A 31 -7.399 17.803 -5.166 1.00 62.03 H new ATOM 0 HG3 GLU A 31 -8.824 18.440 -5.962 1.00 62.03 H new ATOM 431 N GLN A 32 -4.946 17.546 -4.887 1.00 42.10 N ATOM 432 CA GLN A 32 -4.528 16.843 -3.670 1.00 11.21 C ATOM 433 C GLN A 32 -3.014 17.019 -3.451 1.00 42.22 C ATOM 434 O GLN A 32 -2.208 16.202 -3.901 1.00 62.42 O ATOM 435 CB GLN A 32 -4.905 15.350 -3.760 1.00 25.44 C ATOM 436 CG GLN A 32 -5.033 14.635 -2.407 1.00 74.03 C ATOM 437 CD GLN A 32 -3.728 14.531 -1.631 1.00 62.15 C ATOM 438 OE1 GLN A 32 -3.390 15.396 -0.833 1.00 42.35 O ATOM 439 NE2 GLN A 32 -2.991 13.464 -1.854 1.00 65.35 N ATOM 0 H GLN A 32 -5.127 16.936 -5.685 1.00 42.10 H new ATOM 0 HA GLN A 32 -5.049 17.272 -2.814 1.00 11.21 H new ATOM 0 HB2 GLN A 32 -5.851 15.260 -4.293 1.00 25.44 H new ATOM 0 HB3 GLN A 32 -4.152 14.835 -4.357 1.00 25.44 H new ATOM 0 HG2 GLN A 32 -5.765 15.165 -1.797 1.00 74.03 H new ATOM 0 HG3 GLN A 32 -5.424 13.631 -2.575 1.00 74.03 H new ATOM 0 HE21 GLN A 32 -3.301 12.761 -2.525 1.00 65.35 H new ATOM 0 HE22 GLN A 32 -2.110 13.339 -1.355 1.00 65.35 H new ATOM 448 N THR A 33 -2.637 18.112 -2.789 1.00 34.35 N ATOM 449 CA THR A 33 -1.220 18.421 -2.546 1.00 43.12 C ATOM 450 C THR A 33 -1.021 19.267 -1.277 1.00 51.52 C ATOM 451 O THR A 33 -1.484 20.407 -1.186 1.00 42.01 O ATOM 452 CB THR A 33 -0.583 19.152 -3.760 1.00 23.12 C ATOM 453 OG1 THR A 33 0.765 19.556 -3.455 1.00 10.40 O ATOM 454 CG2 THR A 33 -1.405 20.370 -4.174 1.00 61.14 C ATOM 0 H THR A 33 -3.288 18.800 -2.410 1.00 34.35 H new ATOM 0 HA THR A 33 -0.719 17.464 -2.402 1.00 43.12 H new ATOM 0 HB THR A 33 -0.569 18.450 -4.594 1.00 23.12 H new ATOM 0 HG1 THR A 33 1.153 20.014 -4.230 1.00 10.40 H new ATOM 0 HG21 THR A 33 -0.930 20.857 -5.026 1.00 61.14 H new ATOM 0 HG22 THR A 33 -2.410 20.053 -4.451 1.00 61.14 H new ATOM 0 HG23 THR A 33 -1.462 21.071 -3.341 1.00 61.14 H new ATOM 462 N GLN A 34 -0.341 18.692 -0.290 1.00 14.41 N ATOM 463 CA GLN A 34 -0.013 19.401 0.952 1.00 41.21 C ATOM 464 C GLN A 34 1.505 19.602 1.067 1.00 72.40 C ATOM 465 O GLN A 34 2.258 18.628 1.036 1.00 1.45 O ATOM 466 CB GLN A 34 -0.527 18.613 2.170 1.00 23.22 C ATOM 467 CG GLN A 34 -2.044 18.436 2.205 1.00 61.33 C ATOM 468 CD GLN A 34 -2.519 17.648 3.418 1.00 21.41 C ATOM 469 OE1 GLN A 34 -1.817 16.781 3.931 1.00 10.40 O ATOM 470 NE2 GLN A 34 -3.714 17.942 3.886 1.00 24.41 N ATOM 0 H GLN A 34 -0.002 17.730 -0.323 1.00 14.41 H new ATOM 0 HA GLN A 34 -0.499 20.376 0.930 1.00 41.21 H new ATOM 0 HB2 GLN A 34 -0.057 17.629 2.177 1.00 23.22 H new ATOM 0 HB3 GLN A 34 -0.211 19.124 3.079 1.00 23.22 H new ATOM 0 HG2 GLN A 34 -2.520 19.417 2.206 1.00 61.33 H new ATOM 0 HG3 GLN A 34 -2.367 17.926 1.297 1.00 61.33 H new ATOM 0 HE21 GLN A 34 -4.273 18.668 3.437 1.00 24.41 H new ATOM 0 HE22 GLN A 34 -4.081 17.444 4.697 1.00 24.41 H new ATOM 479 N PRO A 35 1.977 20.863 1.205 1.00 11.14 N ATOM 480 CA PRO A 35 3.418 21.165 1.297 1.00 0.22 C ATOM 481 C PRO A 35 4.122 20.376 2.415 1.00 74.52 C ATOM 482 O PRO A 35 4.160 20.795 3.578 1.00 30.14 O ATOM 483 CB PRO A 35 3.462 22.685 1.567 1.00 34.23 C ATOM 484 CG PRO A 35 2.074 23.052 1.984 1.00 1.11 C ATOM 485 CD PRO A 35 1.160 22.084 1.283 1.00 61.42 C ATOM 0 HA PRO A 35 3.949 20.877 0.390 1.00 0.22 H new ATOM 0 HB2 PRO A 35 4.184 22.925 2.348 1.00 34.23 H new ATOM 0 HB3 PRO A 35 3.763 23.234 0.675 1.00 34.23 H new ATOM 0 HG2 PRO A 35 1.960 22.982 3.066 1.00 1.11 H new ATOM 0 HG3 PRO A 35 1.842 24.080 1.705 1.00 1.11 H new ATOM 0 HD2 PRO A 35 0.239 21.920 1.843 1.00 61.42 H new ATOM 0 HD3 PRO A 35 0.873 22.442 0.294 1.00 61.42 H new ATOM 493 N THR A 36 4.644 19.209 2.055 1.00 71.41 N ATOM 494 CA THR A 36 5.346 18.326 3.002 1.00 53.20 C ATOM 495 C THR A 36 6.673 17.818 2.422 1.00 12.14 C ATOM 496 O THR A 36 7.558 17.399 3.168 1.00 14.25 O ATOM 497 CB THR A 36 4.471 17.104 3.385 1.00 12.41 C ATOM 498 OG1 THR A 36 4.057 16.404 2.202 1.00 44.23 O ATOM 499 CG2 THR A 36 3.238 17.532 4.179 1.00 64.24 C ATOM 0 H THR A 36 4.597 18.842 1.104 1.00 71.41 H new ATOM 0 HA THR A 36 5.548 18.923 3.891 1.00 53.20 H new ATOM 0 HB THR A 36 5.074 16.446 4.010 1.00 12.41 H new ATOM 0 HG1 THR A 36 3.453 16.973 1.680 1.00 44.23 H new ATOM 0 HG21 THR A 36 2.645 16.653 4.432 1.00 64.24 H new ATOM 0 HG22 THR A 36 3.551 18.035 5.094 1.00 64.24 H new ATOM 0 HG23 THR A 36 2.637 18.214 3.578 1.00 64.24 H new ATOM 507 N ASN A 37 6.792 17.886 1.088 1.00 21.33 N ATOM 508 CA ASN A 37 7.968 17.413 0.320 1.00 63.13 C ATOM 509 C ASN A 37 8.432 15.990 0.698 1.00 72.34 C ATOM 510 O ASN A 37 8.282 15.065 -0.101 1.00 71.04 O ATOM 511 CB ASN A 37 9.141 18.422 0.342 1.00 14.12 C ATOM 512 CG ASN A 37 9.551 18.880 1.732 1.00 22.14 C ATOM 513 OD1 ASN A 37 10.390 18.264 2.384 1.00 2.31 O ATOM 514 ND2 ASN A 37 8.975 19.973 2.192 1.00 0.13 N ATOM 0 H ASN A 37 6.061 18.279 0.494 1.00 21.33 H new ATOM 0 HA ASN A 37 7.617 17.348 -0.710 1.00 63.13 H new ATOM 0 HB2 ASN A 37 10.003 17.968 -0.147 1.00 14.12 H new ATOM 0 HB3 ASN A 37 8.864 19.296 -0.248 1.00 14.12 H new ATOM 0 HD21 ASN A 37 9.223 20.330 3.115 1.00 0.13 H new ATOM 0 HD22 ASN A 37 8.282 20.461 1.625 1.00 0.13 H new ATOM 521 N GLN A 38 9.008 15.823 1.891 1.00 63.44 N ATOM 522 CA GLN A 38 9.477 14.511 2.376 1.00 31.12 C ATOM 523 C GLN A 38 10.752 14.052 1.643 1.00 33.15 C ATOM 524 O GLN A 38 11.816 13.932 2.253 1.00 4.40 O ATOM 525 CB GLN A 38 8.368 13.445 2.250 1.00 11.34 C ATOM 526 CG GLN A 38 8.774 12.053 2.732 1.00 34.04 C ATOM 527 CD GLN A 38 7.659 11.033 2.569 1.00 4.54 C ATOM 528 OE1 GLN A 38 7.544 10.377 1.537 1.00 24.44 O ATOM 529 NE2 GLN A 38 6.822 10.891 3.578 1.00 45.25 N ATOM 0 H GLN A 38 9.165 16.586 2.550 1.00 63.44 H new ATOM 0 HA GLN A 38 9.726 14.629 3.431 1.00 31.12 H new ATOM 0 HB2 GLN A 38 7.498 13.774 2.819 1.00 11.34 H new ATOM 0 HB3 GLN A 38 8.060 13.380 1.206 1.00 11.34 H new ATOM 0 HG2 GLN A 38 9.650 11.721 2.176 1.00 34.04 H new ATOM 0 HG3 GLN A 38 9.064 12.105 3.782 1.00 34.04 H new ATOM 0 HE21 GLN A 38 6.942 11.450 4.423 1.00 45.25 H new ATOM 0 HE22 GLN A 38 6.054 10.223 3.514 1.00 45.25 H new ATOM 538 N SER A 39 10.644 13.801 0.342 1.00 25.31 N ATOM 539 CA SER A 39 11.798 13.382 -0.467 1.00 31.13 C ATOM 540 C SER A 39 12.577 14.595 -0.996 1.00 25.24 C ATOM 541 O SER A 39 12.133 15.739 -0.871 1.00 72.42 O ATOM 542 CB SER A 39 11.340 12.513 -1.644 1.00 25.44 C ATOM 543 OG SER A 39 10.505 13.238 -2.530 1.00 24.53 O ATOM 0 H SER A 39 9.771 13.879 -0.181 1.00 25.31 H new ATOM 0 HA SER A 39 12.458 12.800 0.177 1.00 31.13 H new ATOM 0 HB2 SER A 39 12.211 12.142 -2.184 1.00 25.44 H new ATOM 0 HB3 SER A 39 10.804 11.642 -1.268 1.00 25.44 H new ATOM 0 HG SER A 39 10.231 12.657 -3.270 1.00 24.53 H new ATOM 549 N THR A 40 13.749 14.343 -1.581 1.00 50.21 N ATOM 550 CA THR A 40 14.575 15.417 -2.164 1.00 1.34 C ATOM 551 C THR A 40 14.549 15.382 -3.699 1.00 74.32 C ATOM 552 O THR A 40 14.911 16.354 -4.363 1.00 75.23 O ATOM 553 CB THR A 40 16.045 15.336 -1.684 1.00 73.41 C ATOM 554 OG1 THR A 40 16.803 16.430 -2.226 1.00 64.22 O ATOM 555 CG2 THR A 40 16.688 14.013 -2.092 1.00 41.33 C ATOM 0 H THR A 40 14.152 13.410 -1.667 1.00 50.21 H new ATOM 0 HA THR A 40 14.140 16.355 -1.820 1.00 1.34 H new ATOM 0 HB THR A 40 16.046 15.397 -0.596 1.00 73.41 H new ATOM 0 HG1 THR A 40 16.386 16.736 -3.059 1.00 64.22 H new ATOM 0 HG21 THR A 40 17.720 13.986 -1.741 1.00 41.33 H new ATOM 0 HG22 THR A 40 16.132 13.187 -1.649 1.00 41.33 H new ATOM 0 HG23 THR A 40 16.672 13.920 -3.178 1.00 41.33 H new ATOM 563 N THR A 41 14.131 14.249 -4.259 1.00 11.23 N ATOM 564 CA THR A 41 14.003 14.096 -5.713 1.00 74.54 C ATOM 565 C THR A 41 12.575 13.679 -6.084 1.00 11.33 C ATOM 566 O THR A 41 12.169 12.541 -5.841 1.00 55.22 O ATOM 567 CB THR A 41 15.000 13.048 -6.267 1.00 44.33 C ATOM 568 OG1 THR A 41 16.342 13.387 -5.879 1.00 1.24 O ATOM 569 CG2 THR A 41 14.923 12.952 -7.790 1.00 2.13 C ATOM 0 H THR A 41 13.873 13.417 -3.728 1.00 11.23 H new ATOM 0 HA THR A 41 14.233 15.063 -6.161 1.00 74.54 H new ATOM 0 HB THR A 41 14.727 12.080 -5.846 1.00 44.33 H new ATOM 0 HG1 THR A 41 16.964 12.717 -6.233 1.00 1.24 H new ATOM 0 HG21 THR A 41 15.636 12.207 -8.144 1.00 2.13 H new ATOM 0 HG22 THR A 41 13.916 12.659 -8.086 1.00 2.13 H new ATOM 0 HG23 THR A 41 15.163 13.921 -8.228 1.00 2.13 H new ATOM 577 N GLN A 42 11.815 14.603 -6.662 1.00 11.33 N ATOM 578 CA GLN A 42 10.403 14.355 -6.976 1.00 41.22 C ATOM 579 C GLN A 42 10.210 13.785 -8.391 1.00 0.50 C ATOM 580 O GLN A 42 10.351 14.496 -9.389 1.00 11.42 O ATOM 581 CB GLN A 42 9.592 15.649 -6.828 1.00 73.41 C ATOM 582 CG GLN A 42 8.101 15.479 -7.119 1.00 45.53 C ATOM 583 CD GLN A 42 7.329 16.784 -7.037 1.00 10.12 C ATOM 584 OE1 GLN A 42 7.865 17.856 -7.300 1.00 42.23 O ATOM 585 NE2 GLN A 42 6.065 16.707 -6.679 1.00 70.54 N ATOM 0 H GLN A 42 12.148 15.531 -6.924 1.00 11.33 H new ATOM 0 HA GLN A 42 10.045 13.609 -6.267 1.00 41.22 H new ATOM 0 HB2 GLN A 42 9.714 16.029 -5.814 1.00 73.41 H new ATOM 0 HB3 GLN A 42 10.001 16.402 -7.502 1.00 73.41 H new ATOM 0 HG2 GLN A 42 7.977 15.052 -8.114 1.00 45.53 H new ATOM 0 HG3 GLN A 42 7.677 14.767 -6.411 1.00 45.53 H new ATOM 0 HE21 GLN A 42 5.649 15.800 -6.467 1.00 70.54 H new ATOM 0 HE22 GLN A 42 5.501 17.554 -6.614 1.00 70.54 H new ATOM 594 N SER A 43 9.891 12.496 -8.463 1.00 43.43 N ATOM 595 CA SER A 43 9.527 11.846 -9.730 1.00 3.10 C ATOM 596 C SER A 43 8.143 11.199 -9.611 1.00 75.33 C ATOM 597 O SER A 43 7.941 10.293 -8.802 1.00 23.02 O ATOM 598 CB SER A 43 10.568 10.789 -10.120 1.00 2.35 C ATOM 599 OG SER A 43 11.833 11.380 -10.383 1.00 31.04 O ATOM 0 H SER A 43 9.876 11.872 -7.656 1.00 43.43 H new ATOM 0 HA SER A 43 9.501 12.607 -10.510 1.00 3.10 H new ATOM 0 HB2 SER A 43 10.666 10.059 -9.317 1.00 2.35 H new ATOM 0 HB3 SER A 43 10.227 10.248 -11.003 1.00 2.35 H new ATOM 0 HG SER A 43 12.476 10.682 -10.627 1.00 31.04 H new ATOM 605 N THR A 44 7.186 11.669 -10.408 1.00 31.25 N ATOM 606 CA THR A 44 5.794 11.207 -10.298 1.00 34.34 C ATOM 607 C THR A 44 5.142 11.005 -11.674 1.00 50.23 C ATOM 608 O THR A 44 5.408 11.747 -12.619 1.00 21.13 O ATOM 609 CB THR A 44 4.939 12.209 -9.475 1.00 54.42 C ATOM 610 OG1 THR A 44 5.524 12.413 -8.179 1.00 72.00 O ATOM 611 CG2 THR A 44 3.502 11.716 -9.303 1.00 71.33 C ATOM 0 H THR A 44 7.342 12.366 -11.136 1.00 31.25 H new ATOM 0 HA THR A 44 5.827 10.245 -9.786 1.00 34.34 H new ATOM 0 HB THR A 44 4.919 13.149 -10.027 1.00 54.42 H new ATOM 0 HG1 THR A 44 4.978 13.047 -7.670 1.00 72.00 H new ATOM 0 HG21 THR A 44 2.935 12.443 -8.722 1.00 71.33 H new ATOM 0 HG22 THR A 44 3.040 11.594 -10.282 1.00 71.33 H new ATOM 0 HG23 THR A 44 3.506 10.759 -8.782 1.00 71.33 H new ATOM 619 N SER A 45 4.284 9.991 -11.769 1.00 43.22 N ATOM 620 CA SER A 45 3.512 9.714 -12.987 1.00 51.41 C ATOM 621 C SER A 45 2.085 9.276 -12.626 1.00 53.11 C ATOM 622 O SER A 45 1.832 8.099 -12.368 1.00 52.43 O ATOM 623 CB SER A 45 4.191 8.621 -13.828 1.00 31.22 C ATOM 624 OG SER A 45 3.444 8.327 -15.004 1.00 13.24 O ATOM 0 H SER A 45 4.102 9.337 -11.008 1.00 43.22 H new ATOM 0 HA SER A 45 3.469 10.631 -13.575 1.00 51.41 H new ATOM 0 HB2 SER A 45 5.195 8.944 -14.105 1.00 31.22 H new ATOM 0 HB3 SER A 45 4.301 7.716 -13.230 1.00 31.22 H new ATOM 0 HG SER A 45 3.903 7.630 -15.517 1.00 13.24 H new ATOM 630 N GLY A 46 1.166 10.237 -12.580 1.00 75.34 N ATOM 631 CA GLY A 46 -0.218 9.942 -12.218 1.00 75.42 C ATOM 632 C GLY A 46 -1.087 9.594 -13.422 1.00 35.50 C ATOM 633 O GLY A 46 -1.480 10.473 -14.192 1.00 24.21 O ATOM 0 H GLY A 46 1.352 11.218 -12.787 1.00 75.34 H new ATOM 0 HA2 GLY A 46 -0.234 9.111 -11.513 1.00 75.42 H new ATOM 0 HA3 GLY A 46 -0.645 10.804 -11.705 1.00 75.42 H new ATOM 637 N SER A 47 -1.380 8.308 -13.596 1.00 73.35 N ATOM 638 CA SER A 47 -2.242 7.851 -14.694 1.00 13.14 C ATOM 639 C SER A 47 -3.708 7.756 -14.250 1.00 64.31 C ATOM 640 O SER A 47 -4.012 7.137 -13.236 1.00 50.15 O ATOM 641 CB SER A 47 -1.768 6.489 -15.225 1.00 72.41 C ATOM 642 OG SER A 47 -1.713 5.505 -14.194 1.00 5.02 O ATOM 0 H SER A 47 -1.036 7.560 -12.994 1.00 73.35 H new ATOM 0 HA SER A 47 -2.173 8.588 -15.494 1.00 13.14 H new ATOM 0 HB2 SER A 47 -2.442 6.152 -16.013 1.00 72.41 H new ATOM 0 HB3 SER A 47 -0.781 6.598 -15.675 1.00 72.41 H new ATOM 0 HG SER A 47 -2.572 5.477 -13.723 1.00 5.02 H new ATOM 648 N SER A 48 -4.614 8.363 -15.016 1.00 41.42 N ATOM 649 CA SER A 48 -6.051 8.338 -14.689 1.00 3.24 C ATOM 650 C SER A 48 -6.739 7.088 -15.256 1.00 34.41 C ATOM 651 O SER A 48 -7.853 6.743 -14.859 1.00 51.54 O ATOM 652 CB SER A 48 -6.748 9.601 -15.218 1.00 1.40 C ATOM 653 OG SER A 48 -6.570 9.743 -16.621 1.00 62.21 O ATOM 0 H SER A 48 -4.386 8.878 -15.866 1.00 41.42 H new ATOM 0 HA SER A 48 -6.136 8.309 -13.603 1.00 3.24 H new ATOM 0 HB2 SER A 48 -7.812 9.554 -14.988 1.00 1.40 H new ATOM 0 HB3 SER A 48 -6.350 10.479 -14.709 1.00 1.40 H new ATOM 0 HG SER A 48 -7.026 10.554 -16.928 1.00 62.21 H new ATOM 659 N ALA A 49 -6.076 6.420 -16.197 1.00 31.25 N ATOM 660 CA ALA A 49 -6.597 5.182 -16.784 1.00 4.33 C ATOM 661 C ALA A 49 -6.256 3.954 -15.921 1.00 12.13 C ATOM 662 O ALA A 49 -5.114 3.486 -15.910 1.00 52.10 O ATOM 663 CB ALA A 49 -6.054 5.006 -18.200 1.00 43.42 C ATOM 0 H ALA A 49 -5.174 6.714 -16.572 1.00 31.25 H new ATOM 0 HA ALA A 49 -7.683 5.262 -16.823 1.00 4.33 H new ATOM 0 HB1 ALA A 49 -6.446 4.084 -18.628 1.00 43.42 H new ATOM 0 HB2 ALA A 49 -6.362 5.851 -18.815 1.00 43.42 H new ATOM 0 HB3 ALA A 49 -4.966 4.957 -18.169 1.00 43.42 H new ATOM 669 N ASN A 50 -7.250 3.445 -15.194 1.00 25.32 N ATOM 670 CA ASN A 50 -7.068 2.261 -14.344 1.00 31.32 C ATOM 671 C ASN A 50 -6.939 0.988 -15.202 1.00 35.31 C ATOM 672 O ASN A 50 -7.906 0.546 -15.825 1.00 44.33 O ATOM 673 CB ASN A 50 -8.249 2.134 -13.368 1.00 1.13 C ATOM 674 CG ASN A 50 -8.033 1.074 -12.299 1.00 50.52 C ATOM 675 OD1 ASN A 50 -7.343 0.083 -12.506 1.00 33.55 O ATOM 676 ND2 ASN A 50 -8.622 1.281 -11.139 1.00 35.30 N ATOM 0 H ASN A 50 -8.193 3.833 -15.174 1.00 25.32 H new ATOM 0 HA ASN A 50 -6.147 2.378 -13.773 1.00 31.32 H new ATOM 0 HB2 ASN A 50 -8.419 3.097 -12.886 1.00 1.13 H new ATOM 0 HB3 ASN A 50 -9.152 1.895 -13.930 1.00 1.13 H new ATOM 0 HD21 ASN A 50 -8.510 0.606 -10.382 1.00 35.30 H new ATOM 0 HD22 ASN A 50 -9.190 2.116 -10.997 1.00 35.30 H new ATOM 683 N LEU A 51 -5.742 0.404 -15.224 1.00 43.13 N ATOM 684 CA LEU A 51 -5.464 -0.776 -16.055 1.00 11.31 C ATOM 685 C LEU A 51 -5.662 -2.092 -15.281 1.00 34.24 C ATOM 686 O LEU A 51 -5.178 -3.147 -15.700 1.00 31.44 O ATOM 687 CB LEU A 51 -4.032 -0.703 -16.605 1.00 52.30 C ATOM 688 CG LEU A 51 -3.731 0.511 -17.505 1.00 43.54 C ATOM 689 CD1 LEU A 51 -2.277 0.486 -17.980 1.00 13.34 C ATOM 690 CD2 LEU A 51 -4.690 0.557 -18.694 1.00 72.13 C ATOM 0 H LEU A 51 -4.945 0.727 -14.676 1.00 43.13 H new ATOM 0 HA LEU A 51 -6.177 -0.771 -16.879 1.00 11.31 H new ATOM 0 HB2 LEU A 51 -3.338 -0.692 -15.764 1.00 52.30 H new ATOM 0 HB3 LEU A 51 -3.832 -1.612 -17.171 1.00 52.30 H new ATOM 0 HG LEU A 51 -3.880 1.416 -16.915 1.00 43.54 H new ATOM 0 HD11 LEU A 51 -2.086 1.352 -18.614 1.00 13.34 H new ATOM 0 HD12 LEU A 51 -1.612 0.515 -17.117 1.00 13.34 H new ATOM 0 HD13 LEU A 51 -2.095 -0.426 -18.548 1.00 13.34 H new ATOM 0 HD21 LEU A 51 -4.458 1.422 -19.315 1.00 72.13 H new ATOM 0 HD22 LEU A 51 -4.582 -0.353 -19.284 1.00 72.13 H new ATOM 0 HD23 LEU A 51 -5.715 0.634 -18.332 1.00 72.13 H new ATOM 702 N TYR A 52 -6.369 -2.031 -14.156 1.00 3.24 N ATOM 703 CA TYR A 52 -6.686 -3.228 -13.367 1.00 72.03 C ATOM 704 C TYR A 52 -8.154 -3.642 -13.552 1.00 34.21 C ATOM 705 O TYR A 52 -8.923 -2.969 -14.241 1.00 34.52 O ATOM 706 CB TYR A 52 -6.385 -2.990 -11.882 1.00 34.15 C ATOM 707 CG TYR A 52 -4.929 -2.662 -11.613 1.00 42.31 C ATOM 708 CD1 TYR A 52 -3.961 -3.658 -11.619 1.00 74.21 C ATOM 709 CD2 TYR A 52 -4.524 -1.357 -11.363 1.00 65.51 C ATOM 710 CE1 TYR A 52 -2.631 -3.362 -11.388 1.00 14.34 C ATOM 711 CE2 TYR A 52 -3.197 -1.052 -11.129 1.00 61.31 C ATOM 712 CZ TYR A 52 -2.255 -2.058 -11.142 1.00 74.34 C ATOM 713 OH TYR A 52 -0.929 -1.759 -10.915 1.00 62.44 O ATOM 0 H TYR A 52 -6.737 -1.164 -13.765 1.00 3.24 H new ATOM 0 HA TYR A 52 -6.056 -4.041 -13.727 1.00 72.03 H new ATOM 0 HB2 TYR A 52 -7.008 -2.173 -11.518 1.00 34.15 H new ATOM 0 HB3 TYR A 52 -6.661 -3.879 -11.315 1.00 34.15 H new ATOM 0 HD1 TYR A 52 -4.252 -4.681 -11.807 1.00 74.21 H new ATOM 0 HD2 TYR A 52 -5.260 -0.566 -11.351 1.00 65.51 H new ATOM 0 HE1 TYR A 52 -1.890 -4.148 -11.400 1.00 14.34 H new ATOM 0 HE2 TYR A 52 -2.900 -0.032 -10.937 1.00 61.31 H new ATOM 0 HH TYR A 52 -0.768 -1.697 -9.950 1.00 62.44 H new ATOM 723 N THR A 53 -8.540 -4.746 -12.923 1.00 21.03 N ATOM 724 CA THR A 53 -9.895 -5.301 -13.086 1.00 75.12 C ATOM 725 C THR A 53 -10.614 -5.464 -11.741 1.00 51.53 C ATOM 726 O THR A 53 -9.980 -5.705 -10.711 1.00 74.51 O ATOM 727 CB THR A 53 -9.865 -6.672 -13.813 1.00 11.32 C ATOM 728 OG1 THR A 53 -11.200 -7.156 -14.015 1.00 24.01 O ATOM 729 CG2 THR A 53 -9.066 -7.708 -13.027 1.00 32.31 C ATOM 0 H THR A 53 -7.940 -5.280 -12.294 1.00 21.03 H new ATOM 0 HA THR A 53 -10.446 -4.583 -13.694 1.00 75.12 H new ATOM 0 HB THR A 53 -9.377 -6.520 -14.776 1.00 11.32 H new ATOM 0 HG1 THR A 53 -11.168 -8.020 -14.476 1.00 24.01 H new ATOM 0 HG21 THR A 53 -9.067 -8.655 -13.567 1.00 32.31 H new ATOM 0 HG22 THR A 53 -8.040 -7.361 -12.906 1.00 32.31 H new ATOM 0 HG23 THR A 53 -9.519 -7.849 -12.046 1.00 32.31 H new ATOM 737 N ALA A 54 -11.941 -5.329 -11.760 1.00 31.44 N ATOM 738 CA ALA A 54 -12.752 -5.476 -10.549 1.00 55.13 C ATOM 739 C ALA A 54 -12.600 -6.882 -9.948 1.00 34.24 C ATOM 740 O ALA A 54 -13.049 -7.872 -10.526 1.00 3.43 O ATOM 741 CB ALA A 54 -14.216 -5.174 -10.855 1.00 13.33 C ATOM 0 H ALA A 54 -12.478 -5.118 -12.601 1.00 31.44 H new ATOM 0 HA ALA A 54 -12.395 -4.759 -9.810 1.00 55.13 H new ATOM 0 HB1 ALA A 54 -14.808 -5.287 -9.947 1.00 13.33 H new ATOM 0 HB2 ALA A 54 -14.307 -4.152 -11.223 1.00 13.33 H new ATOM 0 HB3 ALA A 54 -14.580 -5.867 -11.614 1.00 13.33 H new ATOM 747 N GLY A 55 -11.956 -6.960 -8.787 1.00 4.32 N ATOM 748 CA GLY A 55 -11.681 -8.250 -8.156 1.00 11.15 C ATOM 749 C GLY A 55 -10.273 -8.325 -7.577 1.00 12.20 C ATOM 750 O GLY A 55 -10.002 -9.112 -6.669 1.00 53.23 O ATOM 0 H GLY A 55 -11.616 -6.152 -8.266 1.00 4.32 H new ATOM 0 HA2 GLY A 55 -12.407 -8.425 -7.362 1.00 11.15 H new ATOM 0 HA3 GLY A 55 -11.812 -9.046 -8.889 1.00 11.15 H new ATOM 754 N GLN A 56 -9.369 -7.507 -8.116 1.00 2.24 N ATOM 755 CA GLN A 56 -8.001 -7.406 -7.595 1.00 62.11 C ATOM 756 C GLN A 56 -7.943 -6.446 -6.399 1.00 3.41 C ATOM 757 O GLN A 56 -8.572 -5.384 -6.417 1.00 22.42 O ATOM 758 CB GLN A 56 -7.043 -6.898 -8.685 1.00 32.44 C ATOM 759 CG GLN A 56 -6.977 -7.772 -9.931 1.00 24.45 C ATOM 760 CD GLN A 56 -6.025 -7.214 -10.978 1.00 40.43 C ATOM 761 OE1 GLN A 56 -6.418 -6.433 -11.838 1.00 14.32 O ATOM 762 NE2 GLN A 56 -4.766 -7.600 -10.912 1.00 51.52 N ATOM 0 H GLN A 56 -9.558 -6.902 -8.915 1.00 2.24 H new ATOM 0 HA GLN A 56 -7.696 -8.402 -7.275 1.00 62.11 H new ATOM 0 HB2 GLN A 56 -7.348 -5.893 -8.978 1.00 32.44 H new ATOM 0 HB3 GLN A 56 -6.042 -6.817 -8.261 1.00 32.44 H new ATOM 0 HG2 GLN A 56 -6.658 -8.776 -9.651 1.00 24.45 H new ATOM 0 HG3 GLN A 56 -7.974 -7.863 -10.362 1.00 24.45 H new ATOM 0 HE21 GLN A 56 -4.470 -8.251 -10.185 1.00 51.52 H new ATOM 0 HE22 GLN A 56 -4.088 -7.248 -11.588 1.00 51.52 H new ATOM 771 N CYS A 57 -7.181 -6.806 -5.365 1.00 14.44 N ATOM 772 CA CYS A 57 -6.966 -5.896 -4.231 1.00 72.02 C ATOM 773 C CYS A 57 -6.270 -4.617 -4.710 1.00 54.54 C ATOM 774 O CYS A 57 -6.552 -3.521 -4.230 1.00 65.11 O ATOM 775 CB CYS A 57 -6.129 -6.571 -3.136 1.00 1.14 C ATOM 776 SG CYS A 57 -4.464 -7.051 -3.658 1.00 34.25 S ATOM 0 H CYS A 57 -6.708 -7.706 -5.286 1.00 14.44 H new ATOM 0 HA CYS A 57 -7.938 -5.640 -3.809 1.00 72.02 H new ATOM 0 HB2 CYS A 57 -6.049 -5.893 -2.287 1.00 1.14 H new ATOM 0 HB3 CYS A 57 -6.657 -7.458 -2.787 1.00 1.14 H new ATOM 0 HG CYS A 57 -3.822 -7.559 -2.648 1.00 34.25 H new ATOM 782 N THR A 58 -5.379 -4.780 -5.689 1.00 74.53 N ATOM 783 CA THR A 58 -4.698 -3.653 -6.342 1.00 54.11 C ATOM 784 C THR A 58 -5.704 -2.636 -6.900 1.00 3.21 C ATOM 785 O THR A 58 -5.543 -1.427 -6.734 1.00 52.11 O ATOM 786 CB THR A 58 -3.809 -4.149 -7.508 1.00 1.34 C ATOM 787 OG1 THR A 58 -4.617 -4.824 -8.484 1.00 11.34 O ATOM 788 CG2 THR A 58 -2.718 -5.092 -7.011 1.00 11.53 C ATOM 0 H THR A 58 -5.107 -5.693 -6.053 1.00 74.53 H new ATOM 0 HA THR A 58 -4.083 -3.172 -5.581 1.00 54.11 H new ATOM 0 HB THR A 58 -3.331 -3.280 -7.960 1.00 1.34 H new ATOM 0 HG1 THR A 58 -4.414 -4.473 -9.376 1.00 11.34 H new ATOM 0 HG21 THR A 58 -2.111 -5.423 -7.854 1.00 11.53 H new ATOM 0 HG22 THR A 58 -2.087 -4.571 -6.291 1.00 11.53 H new ATOM 0 HG23 THR A 58 -3.176 -5.958 -6.532 1.00 11.53 H new ATOM 796 N TRP A 59 -6.741 -3.147 -7.565 1.00 52.21 N ATOM 797 CA TRP A 59 -7.815 -2.315 -8.118 1.00 15.33 C ATOM 798 C TRP A 59 -8.470 -1.435 -7.037 1.00 15.34 C ATOM 799 O TRP A 59 -8.619 -0.223 -7.211 1.00 65.55 O ATOM 800 CB TRP A 59 -8.866 -3.222 -8.781 1.00 72.33 C ATOM 801 CG TRP A 59 -10.077 -2.495 -9.286 1.00 65.21 C ATOM 802 CD1 TRP A 59 -10.185 -1.787 -10.448 1.00 21.52 C ATOM 803 CD2 TRP A 59 -11.360 -2.415 -8.647 1.00 1.41 C ATOM 804 NE1 TRP A 59 -11.448 -1.262 -10.566 1.00 54.10 N ATOM 805 CE2 TRP A 59 -12.190 -1.634 -9.474 1.00 43.14 C ATOM 806 CE3 TRP A 59 -11.886 -2.924 -7.453 1.00 2.53 C ATOM 807 CZ2 TRP A 59 -13.517 -1.355 -9.146 1.00 12.34 C ATOM 808 CZ3 TRP A 59 -13.201 -2.645 -7.129 1.00 42.33 C ATOM 809 CH2 TRP A 59 -14.003 -1.866 -7.972 1.00 32.04 C ATOM 0 H TRP A 59 -6.862 -4.145 -7.736 1.00 52.21 H new ATOM 0 HA TRP A 59 -7.384 -1.644 -8.861 1.00 15.33 H new ATOM 0 HB2 TRP A 59 -8.400 -3.750 -9.613 1.00 72.33 H new ATOM 0 HB3 TRP A 59 -9.183 -3.977 -8.062 1.00 72.33 H new ATOM 0 HD1 TRP A 59 -9.392 -1.658 -11.170 1.00 21.52 H new ATOM 0 HE1 TRP A 59 -11.781 -0.688 -11.341 1.00 54.10 H new ATOM 0 HE3 TRP A 59 -11.274 -3.525 -6.796 1.00 2.53 H new ATOM 0 HZ2 TRP A 59 -14.139 -0.757 -9.795 1.00 12.34 H new ATOM 0 HZ3 TRP A 59 -13.616 -3.034 -6.211 1.00 42.33 H new ATOM 0 HH2 TRP A 59 -15.026 -1.664 -7.691 1.00 32.04 H new ATOM 820 N TYR A 60 -8.855 -2.049 -5.919 1.00 40.30 N ATOM 821 CA TYR A 60 -9.496 -1.315 -4.820 1.00 13.51 C ATOM 822 C TYR A 60 -8.554 -0.256 -4.218 1.00 54.50 C ATOM 823 O TYR A 60 -8.957 0.886 -3.980 1.00 45.31 O ATOM 824 CB TYR A 60 -9.963 -2.285 -3.726 1.00 23.22 C ATOM 825 CG TYR A 60 -10.592 -1.585 -2.535 1.00 4.41 C ATOM 826 CD1 TYR A 60 -11.785 -0.885 -2.671 1.00 64.04 C ATOM 827 CD2 TYR A 60 -9.982 -1.602 -1.283 1.00 62.45 C ATOM 828 CE1 TYR A 60 -12.353 -0.228 -1.600 1.00 60.13 C ATOM 829 CE2 TYR A 60 -10.544 -0.942 -0.208 1.00 24.04 C ATOM 830 CZ TYR A 60 -11.729 -0.257 -0.371 1.00 73.15 C ATOM 831 OH TYR A 60 -12.290 0.410 0.695 1.00 0.02 O ATOM 0 H TYR A 60 -8.737 -3.047 -5.747 1.00 40.30 H new ATOM 0 HA TYR A 60 -10.362 -0.798 -5.234 1.00 13.51 H new ATOM 0 HB2 TYR A 60 -10.684 -2.983 -4.152 1.00 23.22 H new ATOM 0 HB3 TYR A 60 -9.112 -2.875 -3.385 1.00 23.22 H new ATOM 0 HD1 TYR A 60 -12.276 -0.855 -3.633 1.00 64.04 H new ATOM 0 HD2 TYR A 60 -9.055 -2.140 -1.151 1.00 62.45 H new ATOM 0 HE1 TYR A 60 -13.283 0.307 -1.723 1.00 60.13 H new ATOM 0 HE2 TYR A 60 -10.057 -0.962 0.756 1.00 24.04 H new ATOM 0 HH TYR A 60 -13.119 0.847 0.408 1.00 0.02 H new ATOM 841 N VAL A 61 -7.302 -0.640 -3.976 1.00 42.32 N ATOM 842 CA VAL A 61 -6.299 0.287 -3.438 1.00 31.25 C ATOM 843 C VAL A 61 -6.071 1.470 -4.394 1.00 22.42 C ATOM 844 O VAL A 61 -5.864 2.605 -3.960 1.00 2.11 O ATOM 845 CB VAL A 61 -4.953 -0.432 -3.178 1.00 42.02 C ATOM 846 CG1 VAL A 61 -3.914 0.535 -2.614 1.00 22.42 C ATOM 847 CG2 VAL A 61 -5.156 -1.619 -2.239 1.00 41.42 C ATOM 0 H VAL A 61 -6.955 -1.585 -4.143 1.00 42.32 H new ATOM 0 HA VAL A 61 -6.685 0.664 -2.491 1.00 31.25 H new ATOM 0 HB VAL A 61 -4.577 -0.806 -4.130 1.00 42.02 H new ATOM 0 HG11 VAL A 61 -2.978 0.003 -2.441 1.00 22.42 H new ATOM 0 HG12 VAL A 61 -3.746 1.344 -3.325 1.00 22.42 H new ATOM 0 HG13 VAL A 61 -4.276 0.949 -1.673 1.00 22.42 H new ATOM 0 HG21 VAL A 61 -4.200 -2.114 -2.066 1.00 41.42 H new ATOM 0 HG22 VAL A 61 -5.559 -1.267 -1.289 1.00 41.42 H new ATOM 0 HG23 VAL A 61 -5.854 -2.325 -2.690 1.00 41.42 H new ATOM 857 N TYR A 62 -6.126 1.189 -5.694 1.00 34.23 N ATOM 858 CA TYR A 62 -5.961 2.216 -6.727 1.00 51.33 C ATOM 859 C TYR A 62 -6.983 3.354 -6.536 1.00 44.34 C ATOM 860 O TYR A 62 -6.646 4.538 -6.643 1.00 14.34 O ATOM 861 CB TYR A 62 -6.120 1.582 -8.117 1.00 44.02 C ATOM 862 CG TYR A 62 -5.556 2.420 -9.248 1.00 60.05 C ATOM 863 CD1 TYR A 62 -4.227 2.285 -9.631 1.00 63.02 C ATOM 864 CD2 TYR A 62 -6.345 3.336 -9.936 1.00 40.32 C ATOM 865 CE1 TYR A 62 -3.700 3.039 -10.660 1.00 53.14 C ATOM 866 CE2 TYR A 62 -5.824 4.093 -10.968 1.00 13.50 C ATOM 867 CZ TYR A 62 -4.502 3.939 -11.326 1.00 3.41 C ATOM 868 OH TYR A 62 -3.979 4.686 -12.353 1.00 51.15 O ATOM 0 H TYR A 62 -6.285 0.251 -6.062 1.00 34.23 H new ATOM 0 HA TYR A 62 -4.962 2.642 -6.640 1.00 51.33 H new ATOM 0 HB2 TYR A 62 -5.628 0.609 -8.119 1.00 44.02 H new ATOM 0 HB3 TYR A 62 -7.179 1.404 -8.304 1.00 44.02 H new ATOM 0 HD1 TYR A 62 -3.595 1.578 -9.114 1.00 63.02 H new ATOM 0 HD2 TYR A 62 -7.382 3.458 -9.659 1.00 40.32 H new ATOM 0 HE1 TYR A 62 -2.664 2.924 -10.942 1.00 53.14 H new ATOM 0 HE2 TYR A 62 -6.449 4.801 -11.491 1.00 13.50 H new ATOM 0 HH TYR A 62 -4.298 5.610 -12.281 1.00 51.15 H new ATOM 878 N ASP A 63 -8.228 2.982 -6.244 1.00 21.31 N ATOM 879 CA ASP A 63 -9.285 3.960 -5.961 1.00 24.42 C ATOM 880 C ASP A 63 -9.008 4.705 -4.642 1.00 31.22 C ATOM 881 O ASP A 63 -9.085 5.934 -4.580 1.00 60.31 O ATOM 882 CB ASP A 63 -10.646 3.256 -5.891 1.00 34.21 C ATOM 883 CG ASP A 63 -11.797 4.227 -5.669 1.00 11.04 C ATOM 884 OD1 ASP A 63 -12.350 4.739 -6.666 1.00 63.12 O ATOM 885 OD2 ASP A 63 -12.155 4.487 -4.499 1.00 51.12 O ATOM 0 H ASP A 63 -8.533 2.010 -6.196 1.00 21.31 H new ATOM 0 HA ASP A 63 -9.300 4.691 -6.769 1.00 24.42 H new ATOM 0 HB2 ASP A 63 -10.814 2.705 -6.816 1.00 34.21 H new ATOM 0 HB3 ASP A 63 -10.631 2.525 -5.083 1.00 34.21 H new ATOM 890 N LYS A 64 -8.675 3.949 -3.596 1.00 45.34 N ATOM 891 CA LYS A 64 -8.397 4.518 -2.265 1.00 53.42 C ATOM 892 C LYS A 64 -7.274 5.570 -2.299 1.00 42.41 C ATOM 893 O LYS A 64 -7.333 6.578 -1.595 1.00 52.20 O ATOM 894 CB LYS A 64 -8.028 3.396 -1.284 1.00 12.04 C ATOM 895 CG LYS A 64 -9.176 2.437 -0.976 1.00 32.44 C ATOM 896 CD LYS A 64 -10.268 3.096 -0.128 1.00 1.53 C ATOM 897 CE LYS A 64 -9.769 3.440 1.272 1.00 4.42 C ATOM 898 NZ LYS A 64 -10.843 4.016 2.127 1.00 65.20 N ATOM 0 H LYS A 64 -8.589 2.934 -3.640 1.00 45.34 H new ATOM 0 HA LYS A 64 -9.305 5.021 -1.933 1.00 53.42 H new ATOM 0 HB2 LYS A 64 -7.194 2.828 -1.695 1.00 12.04 H new ATOM 0 HB3 LYS A 64 -7.681 3.842 -0.352 1.00 12.04 H new ATOM 0 HG2 LYS A 64 -9.610 2.080 -1.910 1.00 32.44 H new ATOM 0 HG3 LYS A 64 -8.787 1.564 -0.451 1.00 32.44 H new ATOM 0 HD2 LYS A 64 -10.615 4.003 -0.623 1.00 1.53 H new ATOM 0 HD3 LYS A 64 -11.125 2.426 -0.054 1.00 1.53 H new ATOM 0 HE2 LYS A 64 -9.373 2.542 1.745 1.00 4.42 H new ATOM 0 HE3 LYS A 64 -8.946 4.151 1.198 1.00 4.42 H new ATOM 0 HZ1 LYS A 64 -10.535 4.014 3.120 1.00 65.20 H new ATOM 0 HZ2 LYS A 64 -11.039 4.992 1.827 1.00 65.20 H new ATOM 0 HZ3 LYS A 64 -11.707 3.445 2.031 1.00 65.20 H new ATOM 912 N VAL A 65 -6.251 5.329 -3.116 1.00 44.11 N ATOM 913 CA VAL A 65 -5.120 6.260 -3.234 1.00 72.24 C ATOM 914 C VAL A 65 -5.436 7.414 -4.215 1.00 14.41 C ATOM 915 O VAL A 65 -4.636 8.334 -4.395 1.00 32.03 O ATOM 916 CB VAL A 65 -3.830 5.518 -3.680 1.00 65.31 C ATOM 917 CG1 VAL A 65 -3.913 5.091 -5.144 1.00 4.41 C ATOM 918 CG2 VAL A 65 -2.587 6.368 -3.421 1.00 24.22 C ATOM 0 H VAL A 65 -6.178 4.501 -3.707 1.00 44.11 H new ATOM 0 HA VAL A 65 -4.951 6.689 -2.246 1.00 72.24 H new ATOM 0 HB VAL A 65 -3.745 4.613 -3.078 1.00 65.31 H new ATOM 0 HG11 VAL A 65 -2.995 4.575 -5.425 1.00 4.41 H new ATOM 0 HG12 VAL A 65 -4.762 4.421 -5.280 1.00 4.41 H new ATOM 0 HG13 VAL A 65 -4.041 5.972 -5.773 1.00 4.41 H new ATOM 0 HG21 VAL A 65 -1.700 5.823 -3.743 1.00 24.22 H new ATOM 0 HG22 VAL A 65 -2.662 7.301 -3.979 1.00 24.22 H new ATOM 0 HG23 VAL A 65 -2.511 6.587 -2.356 1.00 24.22 H new ATOM 928 N GLY A 66 -6.612 7.356 -4.844 1.00 13.31 N ATOM 929 CA GLY A 66 -7.038 8.411 -5.766 1.00 23.32 C ATOM 930 C GLY A 66 -6.494 8.245 -7.182 1.00 15.12 C ATOM 931 O GLY A 66 -6.654 9.132 -8.022 1.00 1.33 O ATOM 0 H GLY A 66 -7.282 6.595 -4.733 1.00 13.31 H new ATOM 0 HA2 GLY A 66 -8.127 8.429 -5.805 1.00 23.32 H new ATOM 0 HA3 GLY A 66 -6.717 9.376 -5.374 1.00 23.32 H new ATOM 935 N GLY A 67 -5.863 7.106 -7.454 1.00 14.32 N ATOM 936 CA GLY A 67 -5.266 6.869 -8.765 1.00 10.51 C ATOM 937 C GLY A 67 -3.954 7.620 -8.983 1.00 21.31 C ATOM 938 O GLY A 67 -3.436 7.662 -10.098 1.00 41.22 O ATOM 0 H GLY A 67 -5.752 6.339 -6.791 1.00 14.32 H new ATOM 0 HA2 GLY A 67 -5.088 5.800 -8.886 1.00 10.51 H new ATOM 0 HA3 GLY A 67 -5.976 7.164 -9.537 1.00 10.51 H new ATOM 942 N ASN A 68 -3.399 8.187 -7.913 1.00 32.54 N ATOM 943 CA ASN A 68 -2.164 8.986 -7.999 1.00 33.24 C ATOM 944 C ASN A 68 -0.903 8.101 -8.095 1.00 51.32 C ATOM 945 O ASN A 68 0.155 8.447 -7.566 1.00 22.11 O ATOM 946 CB ASN A 68 -2.071 9.910 -6.775 1.00 50.14 C ATOM 947 CG ASN A 68 -3.227 10.894 -6.696 1.00 72.33 C ATOM 948 OD1 ASN A 68 -3.755 11.335 -7.707 1.00 43.45 O ATOM 949 ND2 ASN A 68 -3.634 11.243 -5.492 1.00 73.15 N ATOM 0 H ASN A 68 -3.782 8.111 -6.971 1.00 32.54 H new ATOM 0 HA ASN A 68 -2.209 9.579 -8.913 1.00 33.24 H new ATOM 0 HB2 ASN A 68 -2.051 9.305 -5.868 1.00 50.14 H new ATOM 0 HB3 ASN A 68 -1.131 10.461 -6.811 1.00 50.14 H new ATOM 0 HD21 ASN A 68 -4.409 11.898 -5.385 1.00 73.15 H new ATOM 0 HD22 ASN A 68 -3.174 10.859 -4.667 1.00 73.15 H new ATOM 956 N ILE A 69 -1.016 6.975 -8.797 1.00 73.12 N ATOM 957 CA ILE A 69 0.097 6.034 -8.966 1.00 35.31 C ATOM 958 C ILE A 69 0.134 5.476 -10.399 1.00 23.52 C ATOM 959 O ILE A 69 -0.683 5.848 -11.243 1.00 71.14 O ATOM 960 CB ILE A 69 0.002 4.848 -7.962 1.00 64.21 C ATOM 961 CG1 ILE A 69 -1.348 4.120 -8.108 1.00 1.34 C ATOM 962 CG2 ILE A 69 0.210 5.325 -6.523 1.00 42.13 C ATOM 963 CD1 ILE A 69 -1.492 2.912 -7.207 1.00 41.55 C ATOM 0 H ILE A 69 -1.876 6.687 -9.264 1.00 73.12 H new ATOM 0 HA ILE A 69 1.013 6.591 -8.769 1.00 35.31 H new ATOM 0 HB ILE A 69 0.799 4.143 -8.198 1.00 64.21 H new ATOM 0 HG12 ILE A 69 -2.154 4.821 -7.891 1.00 1.34 H new ATOM 0 HG13 ILE A 69 -1.470 3.805 -9.144 1.00 1.34 H new ATOM 0 HG21 ILE A 69 0.138 4.475 -5.844 1.00 42.13 H new ATOM 0 HG22 ILE A 69 1.195 5.782 -6.430 1.00 42.13 H new ATOM 0 HG23 ILE A 69 -0.555 6.058 -6.269 1.00 42.13 H new ATOM 0 HD11 ILE A 69 -2.468 2.453 -7.367 1.00 41.55 H new ATOM 0 HD12 ILE A 69 -0.709 2.190 -7.439 1.00 41.55 H new ATOM 0 HD13 ILE A 69 -1.403 3.222 -6.166 1.00 41.55 H new ATOM 975 N GLY A 70 1.083 4.581 -10.666 1.00 45.41 N ATOM 976 CA GLY A 70 1.200 3.983 -11.991 1.00 23.31 C ATOM 977 C GLY A 70 0.339 2.732 -12.158 1.00 53.13 C ATOM 978 O GLY A 70 0.639 1.683 -11.589 1.00 33.23 O ATOM 0 H GLY A 70 1.774 4.258 -9.989 1.00 45.41 H new ATOM 0 HA2 GLY A 70 0.913 4.718 -12.742 1.00 23.31 H new ATOM 0 HA3 GLY A 70 2.243 3.727 -12.178 1.00 23.31 H new ATOM 982 N SER A 71 -0.727 2.836 -12.945 1.00 15.12 N ATOM 983 CA SER A 71 -1.620 1.693 -13.211 1.00 20.04 C ATOM 984 C SER A 71 -0.897 0.548 -13.942 1.00 32.12 C ATOM 985 O SER A 71 -1.400 -0.575 -14.003 1.00 53.11 O ATOM 986 CB SER A 71 -2.827 2.144 -14.042 1.00 34.31 C ATOM 987 OG SER A 71 -2.425 2.687 -15.290 1.00 52.23 O ATOM 0 H SER A 71 -1.001 3.699 -13.415 1.00 15.12 H new ATOM 0 HA SER A 71 -1.953 1.317 -12.244 1.00 20.04 H new ATOM 0 HB2 SER A 71 -3.492 1.297 -14.210 1.00 34.31 H new ATOM 0 HB3 SER A 71 -3.395 2.889 -13.486 1.00 34.31 H new ATOM 0 HG SER A 71 -3.200 3.085 -15.738 1.00 52.23 H new ATOM 993 N THR A 72 0.282 0.836 -14.491 1.00 34.45 N ATOM 994 CA THR A 72 1.066 -0.166 -15.232 1.00 13.55 C ATOM 995 C THR A 72 1.961 -1.019 -14.312 1.00 53.11 C ATOM 996 O THR A 72 2.754 -1.835 -14.791 1.00 72.35 O ATOM 997 CB THR A 72 1.957 0.504 -16.312 1.00 4.23 C ATOM 998 OG1 THR A 72 2.649 -0.493 -17.086 1.00 34.41 O ATOM 999 CG2 THR A 72 2.970 1.459 -15.680 1.00 42.54 C ATOM 0 H THR A 72 0.721 1.755 -14.440 1.00 34.45 H new ATOM 0 HA THR A 72 0.336 -0.822 -15.707 1.00 13.55 H new ATOM 0 HB THR A 72 1.303 1.078 -16.968 1.00 4.23 H new ATOM 0 HG1 THR A 72 2.901 -1.241 -16.505 1.00 34.41 H new ATOM 0 HG21 THR A 72 3.579 1.913 -16.462 1.00 42.54 H new ATOM 0 HG22 THR A 72 2.442 2.240 -15.133 1.00 42.54 H new ATOM 0 HG23 THR A 72 3.612 0.906 -14.994 1.00 42.54 H new ATOM 1007 N TRP A 73 1.841 -0.836 -12.997 1.00 1.34 N ATOM 1008 CA TRP A 73 2.657 -1.598 -12.036 1.00 33.13 C ATOM 1009 C TRP A 73 2.295 -3.093 -12.035 1.00 75.34 C ATOM 1010 O TRP A 73 3.162 -3.949 -11.844 1.00 53.21 O ATOM 1011 CB TRP A 73 2.520 -1.009 -10.621 1.00 4.31 C ATOM 1012 CG TRP A 73 3.150 0.349 -10.470 1.00 10.12 C ATOM 1013 CD1 TRP A 73 3.829 1.052 -11.424 1.00 13.32 C ATOM 1014 CD2 TRP A 73 3.164 1.164 -9.291 1.00 32.32 C ATOM 1015 NE1 TRP A 73 4.262 2.247 -10.911 1.00 13.01 N ATOM 1016 CE2 TRP A 73 3.865 2.341 -9.605 1.00 23.25 C ATOM 1017 CE3 TRP A 73 2.650 1.012 -8.000 1.00 4.23 C ATOM 1018 CZ2 TRP A 73 4.064 3.360 -8.678 1.00 51.12 C ATOM 1019 CZ3 TRP A 73 2.848 2.023 -7.079 1.00 11.44 C ATOM 1020 CH2 TRP A 73 3.550 3.185 -7.423 1.00 4.01 C ATOM 0 H TRP A 73 1.194 -0.174 -12.570 1.00 1.34 H new ATOM 0 HA TRP A 73 3.696 -1.513 -12.353 1.00 33.13 H new ATOM 0 HB2 TRP A 73 1.462 -0.940 -10.366 1.00 4.31 H new ATOM 0 HB3 TRP A 73 2.976 -1.693 -9.906 1.00 4.31 H new ATOM 0 HD1 TRP A 73 4.000 0.715 -12.436 1.00 13.32 H new ATOM 0 HE1 TRP A 73 4.794 2.952 -11.421 1.00 13.01 H new ATOM 0 HE3 TRP A 73 2.107 0.119 -7.727 1.00 4.23 H new ATOM 0 HZ2 TRP A 73 4.605 4.257 -8.941 1.00 51.12 H new ATOM 0 HZ3 TRP A 73 2.455 1.915 -6.079 1.00 11.44 H new ATOM 0 HH2 TRP A 73 3.688 3.959 -6.682 1.00 4.01 H new ATOM 1031 N GLY A 74 1.017 -3.399 -12.239 1.00 25.05 N ATOM 1032 CA GLY A 74 0.589 -4.784 -12.409 1.00 1.41 C ATOM 1033 C GLY A 74 0.555 -5.590 -11.109 1.00 71.44 C ATOM 1034 O GLY A 74 -0.189 -5.258 -10.184 1.00 63.32 O ATOM 0 H GLY A 74 0.265 -2.712 -12.290 1.00 25.05 H new ATOM 0 HA2 GLY A 74 -0.405 -4.794 -12.856 1.00 1.41 H new ATOM 0 HA3 GLY A 74 1.260 -5.277 -13.112 1.00 1.41 H new ATOM 1038 N ASN A 75 1.363 -6.653 -11.043 1.00 0.22 N ATOM 1039 CA ASN A 75 1.383 -7.552 -9.879 1.00 55.52 C ATOM 1040 C ASN A 75 1.717 -6.806 -8.579 1.00 40.13 C ATOM 1041 O ASN A 75 2.657 -6.019 -8.528 1.00 14.24 O ATOM 1042 CB ASN A 75 2.394 -8.683 -10.094 1.00 15.42 C ATOM 1043 CG ASN A 75 2.035 -9.560 -11.276 1.00 33.15 C ATOM 1044 OD1 ASN A 75 2.461 -9.316 -12.398 1.00 32.32 O ATOM 1045 ND2 ASN A 75 1.245 -10.585 -11.037 1.00 32.31 N ATOM 0 H ASN A 75 2.014 -6.914 -11.783 1.00 0.22 H new ATOM 0 HA ASN A 75 0.381 -7.968 -9.780 1.00 55.52 H new ATOM 0 HB2 ASN A 75 3.385 -8.256 -10.249 1.00 15.42 H new ATOM 0 HB3 ASN A 75 2.448 -9.295 -9.194 1.00 15.42 H new ATOM 0 HD21 ASN A 75 0.970 -11.205 -11.799 1.00 32.31 H new ATOM 0 HD22 ASN A 75 0.908 -10.759 -10.090 1.00 32.31 H new ATOM 1052 N ALA A 76 0.954 -7.092 -7.525 1.00 51.42 N ATOM 1053 CA ALA A 76 1.120 -6.421 -6.230 1.00 72.03 C ATOM 1054 C ALA A 76 2.537 -6.592 -5.654 1.00 22.14 C ATOM 1055 O ALA A 76 2.993 -5.768 -4.869 1.00 51.55 O ATOM 1056 CB ALA A 76 0.079 -6.939 -5.247 1.00 52.24 C ATOM 0 H ALA A 76 0.209 -7.788 -7.540 1.00 51.42 H new ATOM 0 HA ALA A 76 0.974 -5.353 -6.392 1.00 72.03 H new ATOM 0 HB1 ALA A 76 0.205 -6.439 -4.287 1.00 52.24 H new ATOM 0 HB2 ALA A 76 -0.920 -6.736 -5.634 1.00 52.24 H new ATOM 0 HB3 ALA A 76 0.205 -8.014 -5.116 1.00 52.24 H new ATOM 1062 N ASN A 77 3.231 -7.661 -6.047 1.00 13.21 N ATOM 1063 CA ASN A 77 4.603 -7.907 -5.572 1.00 65.43 C ATOM 1064 C ASN A 77 5.632 -7.014 -6.298 1.00 70.31 C ATOM 1065 O ASN A 77 6.797 -6.947 -5.905 1.00 31.55 O ATOM 1066 CB ASN A 77 4.985 -9.383 -5.751 1.00 12.55 C ATOM 1067 CG ASN A 77 5.058 -9.795 -7.209 1.00 2.34 C ATOM 1068 OD1 ASN A 77 6.084 -9.643 -7.861 1.00 44.14 O ATOM 1069 ND2 ASN A 77 3.978 -10.331 -7.734 1.00 73.13 N ATOM 0 H ASN A 77 2.873 -8.369 -6.688 1.00 13.21 H new ATOM 0 HA ASN A 77 4.622 -7.655 -4.512 1.00 65.43 H new ATOM 0 HB2 ASN A 77 5.950 -9.565 -5.277 1.00 12.55 H new ATOM 0 HB3 ASN A 77 4.255 -10.008 -5.237 1.00 12.55 H new ATOM 0 HD21 ASN A 77 3.980 -10.633 -8.708 1.00 73.13 H new ATOM 0 HD22 ASN A 77 3.138 -10.445 -7.167 1.00 73.13 H new ATOM 1076 N ASN A 78 5.194 -6.330 -7.351 1.00 23.10 N ATOM 1077 CA ASN A 78 6.084 -5.502 -8.178 1.00 22.33 C ATOM 1078 C ASN A 78 5.933 -3.999 -7.860 1.00 1.32 C ATOM 1079 O ASN A 78 6.698 -3.171 -8.360 1.00 30.10 O ATOM 1080 CB ASN A 78 5.789 -5.785 -9.661 1.00 13.32 C ATOM 1081 CG ASN A 78 6.615 -4.940 -10.615 1.00 31.31 C ATOM 1082 OD1 ASN A 78 7.755 -5.267 -10.929 1.00 40.23 O ATOM 1083 ND2 ASN A 78 6.038 -3.864 -11.106 1.00 54.02 N ATOM 0 H ASN A 78 4.221 -6.330 -7.658 1.00 23.10 H new ATOM 0 HA ASN A 78 7.118 -5.764 -7.952 1.00 22.33 H new ATOM 0 HB2 ASN A 78 5.977 -6.839 -9.866 1.00 13.32 H new ATOM 0 HB3 ASN A 78 4.731 -5.607 -9.853 1.00 13.32 H new ATOM 0 HD21 ASN A 78 6.540 -3.273 -11.769 1.00 54.02 H new ATOM 0 HD22 ASN A 78 5.089 -3.621 -10.824 1.00 54.02 H new ATOM 1090 N TRP A 79 4.982 -3.658 -6.991 1.00 53.45 N ATOM 1091 CA TRP A 79 4.653 -2.248 -6.708 1.00 52.44 C ATOM 1092 C TRP A 79 5.817 -1.490 -6.042 1.00 34.41 C ATOM 1093 O TRP A 79 6.123 -0.357 -6.419 1.00 65.45 O ATOM 1094 CB TRP A 79 3.383 -2.159 -5.843 1.00 11.41 C ATOM 1095 CG TRP A 79 2.114 -2.346 -6.633 1.00 73.34 C ATOM 1096 CD1 TRP A 79 1.922 -3.180 -7.698 1.00 40.33 C ATOM 1097 CD2 TRP A 79 0.864 -1.679 -6.420 1.00 55.25 C ATOM 1098 NE1 TRP A 79 0.637 -3.063 -8.165 1.00 12.42 N ATOM 1099 CE2 TRP A 79 -0.033 -2.148 -7.397 1.00 1.11 C ATOM 1100 CE3 TRP A 79 0.419 -0.723 -5.500 1.00 50.12 C ATOM 1101 CZ2 TRP A 79 -1.349 -1.698 -7.477 1.00 53.01 C ATOM 1102 CZ3 TRP A 79 -0.886 -0.280 -5.579 1.00 62.02 C ATOM 1103 CH2 TRP A 79 -1.758 -0.766 -6.563 1.00 15.20 C ATOM 0 H TRP A 79 4.423 -4.332 -6.468 1.00 53.45 H new ATOM 0 HA TRP A 79 4.470 -1.763 -7.667 1.00 52.44 H new ATOM 0 HB2 TRP A 79 3.431 -2.915 -5.060 1.00 11.41 H new ATOM 0 HB3 TRP A 79 3.356 -1.188 -5.348 1.00 11.41 H new ATOM 0 HD1 TRP A 79 2.673 -3.836 -8.112 1.00 40.33 H new ATOM 0 HE1 TRP A 79 0.245 -3.574 -8.956 1.00 12.42 H new ATOM 0 HE3 TRP A 79 1.085 -0.339 -4.742 1.00 50.12 H new ATOM 0 HZ2 TRP A 79 -2.023 -2.072 -8.234 1.00 53.01 H new ATOM 0 HZ3 TRP A 79 -1.241 0.454 -4.870 1.00 62.02 H new ATOM 0 HH2 TRP A 79 -2.772 -0.397 -6.600 1.00 15.20 H new ATOM 1114 N ALA A 80 6.466 -2.120 -5.068 1.00 12.51 N ATOM 1115 CA ALA A 80 7.596 -1.505 -4.361 1.00 22.21 C ATOM 1116 C ALA A 80 8.771 -1.235 -5.313 1.00 33.43 C ATOM 1117 O ALA A 80 9.374 -0.160 -5.291 1.00 13.11 O ATOM 1118 CB ALA A 80 8.046 -2.393 -3.205 1.00 44.11 C ATOM 0 H ALA A 80 6.232 -3.059 -4.746 1.00 12.51 H new ATOM 0 HA ALA A 80 7.260 -0.548 -3.963 1.00 22.21 H new ATOM 0 HB1 ALA A 80 8.884 -1.924 -2.691 1.00 44.11 H new ATOM 0 HB2 ALA A 80 7.220 -2.527 -2.506 1.00 44.11 H new ATOM 0 HB3 ALA A 80 8.355 -3.364 -3.591 1.00 44.11 H new ATOM 1124 N SER A 81 9.079 -2.220 -6.155 1.00 33.01 N ATOM 1125 CA SER A 81 10.161 -2.091 -7.141 1.00 64.33 C ATOM 1126 C SER A 81 9.837 -1.017 -8.187 1.00 22.34 C ATOM 1127 O SER A 81 10.663 -0.154 -8.480 1.00 14.52 O ATOM 1128 CB SER A 81 10.415 -3.431 -7.843 1.00 52.32 C ATOM 1129 OG SER A 81 11.457 -3.321 -8.805 1.00 14.42 O ATOM 0 H SER A 81 8.597 -3.118 -6.177 1.00 33.01 H new ATOM 0 HA SER A 81 11.060 -1.791 -6.602 1.00 64.33 H new ATOM 0 HB2 SER A 81 10.678 -4.187 -7.103 1.00 52.32 H new ATOM 0 HB3 SER A 81 9.500 -3.767 -8.331 1.00 52.32 H new ATOM 0 HG SER A 81 11.598 -4.190 -9.235 1.00 14.42 H new ATOM 1135 N ALA A 82 8.625 -1.072 -8.740 1.00 3.24 N ATOM 1136 CA ALA A 82 8.177 -0.094 -9.738 1.00 35.43 C ATOM 1137 C ALA A 82 8.192 1.333 -9.169 1.00 61.12 C ATOM 1138 O ALA A 82 8.637 2.271 -9.829 1.00 4.53 O ATOM 1139 CB ALA A 82 6.782 -0.459 -10.239 1.00 11.42 C ATOM 0 H ALA A 82 7.932 -1.785 -8.514 1.00 3.24 H new ATOM 0 HA ALA A 82 8.872 -0.121 -10.577 1.00 35.43 H new ATOM 0 HB1 ALA A 82 6.458 0.273 -10.979 1.00 11.42 H new ATOM 0 HB2 ALA A 82 6.806 -1.449 -10.694 1.00 11.42 H new ATOM 0 HB3 ALA A 82 6.084 -0.461 -9.402 1.00 11.42 H new ATOM 1145 N ALA A 83 7.711 1.481 -7.936 1.00 62.14 N ATOM 1146 CA ALA A 83 7.743 2.766 -7.231 1.00 50.33 C ATOM 1147 C ALA A 83 9.176 3.310 -7.122 1.00 72.24 C ATOM 1148 O ALA A 83 9.462 4.417 -7.581 1.00 72.43 O ATOM 1149 CB ALA A 83 7.123 2.610 -5.850 1.00 13.50 C ATOM 0 H ALA A 83 7.291 0.722 -7.399 1.00 62.14 H new ATOM 0 HA ALA A 83 7.162 3.488 -7.805 1.00 50.33 H new ATOM 0 HB1 ALA A 83 7.149 3.567 -5.329 1.00 13.50 H new ATOM 0 HB2 ALA A 83 6.089 2.279 -5.951 1.00 13.50 H new ATOM 0 HB3 ALA A 83 7.686 1.871 -5.280 1.00 13.50 H new ATOM 1155 N SER A 84 10.079 2.517 -6.542 1.00 64.22 N ATOM 1156 CA SER A 84 11.483 2.939 -6.376 1.00 41.02 C ATOM 1157 C SER A 84 12.180 3.138 -7.733 1.00 54.53 C ATOM 1158 O SER A 84 13.096 3.949 -7.856 1.00 63.53 O ATOM 1159 CB SER A 84 12.265 1.914 -5.543 1.00 23.31 C ATOM 1160 OG SER A 84 13.616 2.318 -5.352 1.00 60.03 O ATOM 0 H SER A 84 9.872 1.586 -6.180 1.00 64.22 H new ATOM 0 HA SER A 84 11.470 3.895 -5.852 1.00 41.02 H new ATOM 0 HB2 SER A 84 11.782 1.787 -4.574 1.00 23.31 H new ATOM 0 HB3 SER A 84 12.241 0.945 -6.041 1.00 23.31 H new ATOM 0 HG SER A 84 14.086 1.645 -4.817 1.00 60.03 H new ATOM 1166 N SER A 85 11.748 2.385 -8.744 1.00 11.22 N ATOM 1167 CA SER A 85 12.309 2.495 -10.102 1.00 75.11 C ATOM 1168 C SER A 85 11.800 3.750 -10.825 1.00 74.43 C ATOM 1169 O SER A 85 12.514 4.351 -11.630 1.00 33.45 O ATOM 1170 CB SER A 85 11.955 1.248 -10.925 1.00 35.20 C ATOM 1171 OG SER A 85 12.393 1.366 -12.271 1.00 44.22 O ATOM 0 H SER A 85 11.009 1.688 -8.654 1.00 11.22 H new ATOM 0 HA SER A 85 13.392 2.575 -10.004 1.00 75.11 H new ATOM 0 HB2 SER A 85 12.412 0.369 -10.469 1.00 35.20 H new ATOM 0 HB3 SER A 85 10.876 1.093 -10.905 1.00 35.20 H new ATOM 0 HG SER A 85 12.153 0.555 -12.765 1.00 44.22 H new ATOM 1177 N ALA A 86 10.557 4.134 -10.541 1.00 4.10 N ATOM 1178 CA ALA A 86 9.955 5.327 -11.143 1.00 35.33 C ATOM 1179 C ALA A 86 10.388 6.607 -10.415 1.00 65.42 C ATOM 1180 O ALA A 86 10.384 7.693 -10.991 1.00 44.45 O ATOM 1181 CB ALA A 86 8.434 5.203 -11.147 1.00 40.32 C ATOM 0 H ALA A 86 9.944 3.636 -9.896 1.00 4.10 H new ATOM 0 HA ALA A 86 10.309 5.398 -12.171 1.00 35.33 H new ATOM 0 HB1 ALA A 86 7.997 6.095 -11.596 1.00 40.32 H new ATOM 0 HB2 ALA A 86 8.142 4.326 -11.724 1.00 40.32 H new ATOM 0 HB3 ALA A 86 8.075 5.100 -10.123 1.00 40.32 H new ATOM 1187 N GLY A 87 10.760 6.474 -9.141 1.00 55.02 N ATOM 1188 CA GLY A 87 11.202 7.628 -8.360 1.00 41.42 C ATOM 1189 C GLY A 87 10.307 7.923 -7.157 1.00 2.34 C ATOM 1190 O GLY A 87 10.482 8.939 -6.482 1.00 43.20 O ATOM 0 H GLY A 87 10.764 5.589 -8.634 1.00 55.02 H new ATOM 0 HA2 GLY A 87 12.220 7.454 -8.012 1.00 41.42 H new ATOM 0 HA3 GLY A 87 11.231 8.505 -9.006 1.00 41.42 H new ATOM 1194 N TYR A 88 9.346 7.037 -6.892 1.00 21.45 N ATOM 1195 CA TYR A 88 8.471 7.168 -5.721 1.00 63.21 C ATOM 1196 C TYR A 88 9.214 6.801 -4.427 1.00 21.12 C ATOM 1197 O TYR A 88 10.201 6.065 -4.442 1.00 25.22 O ATOM 1198 CB TYR A 88 7.222 6.289 -5.875 1.00 31.34 C ATOM 1199 CG TYR A 88 6.288 6.732 -6.990 1.00 14.21 C ATOM 1200 CD1 TYR A 88 5.298 7.680 -6.751 1.00 12.54 C ATOM 1201 CD2 TYR A 88 6.388 6.200 -8.272 1.00 72.31 C ATOM 1202 CE1 TYR A 88 4.437 8.082 -7.754 1.00 73.43 C ATOM 1203 CE2 TYR A 88 5.530 6.603 -9.281 1.00 32.34 C ATOM 1204 CZ TYR A 88 4.558 7.541 -9.016 1.00 71.43 C ATOM 1205 OH TYR A 88 3.697 7.940 -10.015 1.00 61.20 O ATOM 0 H TYR A 88 9.152 6.220 -7.471 1.00 21.45 H new ATOM 0 HA TYR A 88 8.163 8.211 -5.656 1.00 63.21 H new ATOM 0 HB2 TYR A 88 7.534 5.262 -6.063 1.00 31.34 H new ATOM 0 HB3 TYR A 88 6.673 6.288 -4.934 1.00 31.34 H new ATOM 0 HD1 TYR A 88 5.201 8.109 -5.765 1.00 12.54 H new ATOM 0 HD2 TYR A 88 7.147 5.461 -8.483 1.00 72.31 H new ATOM 0 HE1 TYR A 88 3.672 8.817 -7.550 1.00 73.43 H new ATOM 0 HE2 TYR A 88 5.623 6.183 -10.272 1.00 32.34 H new ATOM 0 HH TYR A 88 3.916 7.466 -10.844 1.00 61.20 H new ATOM 1215 N THR A 89 8.706 7.292 -3.306 1.00 31.11 N ATOM 1216 CA THR A 89 9.402 7.165 -2.016 1.00 43.01 C ATOM 1217 C THR A 89 8.909 5.951 -1.213 1.00 5.04 C ATOM 1218 O THR A 89 7.928 6.031 -0.468 1.00 43.24 O ATOM 1219 CB THR A 89 9.255 8.463 -1.174 1.00 44.34 C ATOM 1220 OG1 THR A 89 9.866 9.563 -1.864 1.00 4.32 O ATOM 1221 CG2 THR A 89 9.898 8.327 0.200 1.00 45.24 C ATOM 0 H THR A 89 7.814 7.784 -3.255 1.00 31.11 H new ATOM 0 HA THR A 89 10.457 7.009 -2.239 1.00 43.01 H new ATOM 0 HB THR A 89 8.188 8.642 -1.038 1.00 44.34 H new ATOM 0 HG1 THR A 89 9.177 10.209 -2.125 1.00 4.32 H new ATOM 0 HG21 THR A 89 9.772 9.257 0.754 1.00 45.24 H new ATOM 0 HG22 THR A 89 9.422 7.512 0.745 1.00 45.24 H new ATOM 0 HG23 THR A 89 10.961 8.115 0.085 1.00 45.24 H new ATOM 1229 N VAL A 90 9.598 4.823 -1.384 1.00 21.32 N ATOM 1230 CA VAL A 90 9.257 3.576 -0.685 1.00 60.45 C ATOM 1231 C VAL A 90 10.091 3.405 0.593 1.00 61.32 C ATOM 1232 O VAL A 90 11.322 3.421 0.548 1.00 74.00 O ATOM 1233 CB VAL A 90 9.486 2.345 -1.594 1.00 42.12 C ATOM 1234 CG1 VAL A 90 9.054 1.055 -0.894 1.00 51.23 C ATOM 1235 CG2 VAL A 90 8.753 2.514 -2.919 1.00 54.43 C ATOM 0 H VAL A 90 10.403 4.744 -2.005 1.00 21.32 H new ATOM 0 HA VAL A 90 8.202 3.643 -0.421 1.00 60.45 H new ATOM 0 HB VAL A 90 10.554 2.271 -1.799 1.00 42.12 H new ATOM 0 HG11 VAL A 90 9.226 0.206 -1.556 1.00 51.23 H new ATOM 0 HG12 VAL A 90 9.633 0.925 0.020 1.00 51.23 H new ATOM 0 HG13 VAL A 90 7.994 1.113 -0.647 1.00 51.23 H new ATOM 0 HG21 VAL A 90 8.926 1.638 -3.545 1.00 54.43 H new ATOM 0 HG22 VAL A 90 7.684 2.621 -2.733 1.00 54.43 H new ATOM 0 HG23 VAL A 90 9.123 3.403 -3.429 1.00 54.43 H new ATOM 1245 N ASN A 91 9.416 3.232 1.727 1.00 10.42 N ATOM 1246 CA ASN A 91 10.092 3.051 3.022 1.00 64.51 C ATOM 1247 C ASN A 91 9.299 2.111 3.934 1.00 1.55 C ATOM 1248 O ASN A 91 8.139 1.806 3.667 1.00 71.53 O ATOM 1249 CB ASN A 91 10.286 4.399 3.729 1.00 3.12 C ATOM 1250 CG ASN A 91 11.286 5.290 3.018 1.00 45.51 C ATOM 1251 OD1 ASN A 91 10.812 6.074 2.078 1.00 10.04 O flip ATOM 1252 ND2 ASN A 91 12.477 5.265 3.300 1.00 21.22 N flip ATOM 0 H ASN A 91 8.398 3.212 1.782 1.00 10.42 H new ATOM 0 HA ASN A 91 11.067 2.607 2.820 1.00 64.51 H new ATOM 0 HB2 ASN A 91 9.327 4.913 3.793 1.00 3.12 H new ATOM 0 HB3 ASN A 91 10.622 4.224 4.751 1.00 3.12 H new ATOM 0 HD21 ASN A 91 12.814 4.644 4.036 1.00 21.22 H new ATOM 0 HD22 ASN A 91 13.132 5.865 2.799 1.00 21.22 H new ATOM 1259 N ASN A 92 9.936 1.662 5.015 1.00 23.54 N ATOM 1260 CA ASN A 92 9.267 0.821 6.017 1.00 12.43 C ATOM 1261 C ASN A 92 8.459 1.670 7.017 1.00 74.54 C ATOM 1262 O ASN A 92 7.757 1.135 7.873 1.00 72.05 O ATOM 1263 CB ASN A 92 10.296 -0.045 6.756 1.00 22.54 C ATOM 1264 CG ASN A 92 11.041 -0.978 5.817 1.00 30.33 C ATOM 1265 OD1 ASN A 92 12.093 -0.637 5.284 1.00 64.13 O ATOM 1266 ND2 ASN A 92 10.502 -2.161 5.601 1.00 1.30 N ATOM 0 H ASN A 92 10.914 1.864 5.223 1.00 23.54 H new ATOM 0 HA ASN A 92 8.566 0.170 5.494 1.00 12.43 H new ATOM 0 HB2 ASN A 92 11.011 0.600 7.267 1.00 22.54 H new ATOM 0 HB3 ASN A 92 9.791 -0.632 7.523 1.00 22.54 H new ATOM 0 HD21 ASN A 92 10.960 -2.824 4.975 1.00 1.30 H new ATOM 0 HD22 ASN A 92 9.627 -2.414 6.059 1.00 1.30 H new ATOM 1273 N SER A 93 8.575 2.998 6.906 1.00 42.43 N ATOM 1274 CA SER A 93 7.785 3.928 7.728 1.00 1.13 C ATOM 1275 C SER A 93 6.280 3.738 7.469 1.00 23.02 C ATOM 1276 O SER A 93 5.784 4.052 6.381 1.00 51.22 O ATOM 1277 CB SER A 93 8.183 5.383 7.430 1.00 32.34 C ATOM 1278 OG SER A 93 9.567 5.593 7.664 1.00 60.54 O ATOM 0 H SER A 93 9.210 3.456 6.253 1.00 42.43 H new ATOM 0 HA SER A 93 7.992 3.711 8.776 1.00 1.13 H new ATOM 0 HB2 SER A 93 7.946 5.623 6.394 1.00 32.34 H new ATOM 0 HB3 SER A 93 7.599 6.058 8.055 1.00 32.34 H new ATOM 0 HG SER A 93 9.795 6.525 7.465 1.00 60.54 H new ATOM 1284 N PRO A 94 5.528 3.250 8.477 1.00 40.43 N ATOM 1285 CA PRO A 94 4.123 2.831 8.305 1.00 11.14 C ATOM 1286 C PRO A 94 3.100 3.981 8.353 1.00 1.01 C ATOM 1287 O PRO A 94 1.919 3.747 8.579 1.00 1.43 O ATOM 1288 CB PRO A 94 3.925 1.889 9.496 1.00 72.14 C ATOM 1289 CG PRO A 94 4.793 2.454 10.570 1.00 53.43 C ATOM 1290 CD PRO A 94 5.984 3.069 9.875 1.00 24.05 C ATOM 0 HA PRO A 94 3.955 2.390 7.322 1.00 11.14 H new ATOM 0 HB2 PRO A 94 2.881 1.856 9.806 1.00 72.14 H new ATOM 0 HB3 PRO A 94 4.216 0.868 9.247 1.00 72.14 H new ATOM 0 HG2 PRO A 94 4.254 3.202 11.152 1.00 53.43 H new ATOM 0 HG3 PRO A 94 5.108 1.675 11.265 1.00 53.43 H new ATOM 0 HD2 PRO A 94 6.265 4.019 10.330 1.00 24.05 H new ATOM 0 HD3 PRO A 94 6.857 2.419 9.929 1.00 24.05 H new ATOM 1298 N GLU A 95 3.557 5.206 8.113 1.00 12.03 N ATOM 1299 CA GLU A 95 2.695 6.397 8.178 1.00 42.23 C ATOM 1300 C GLU A 95 1.476 6.311 7.245 1.00 51.55 C ATOM 1301 O GLU A 95 1.537 5.731 6.157 1.00 3.51 O ATOM 1302 CB GLU A 95 3.505 7.654 7.846 1.00 44.30 C ATOM 1303 CG GLU A 95 4.559 7.987 8.890 1.00 1.53 C ATOM 1304 CD GLU A 95 5.378 9.215 8.528 1.00 43.53 C ATOM 1305 OE1 GLU A 95 6.356 9.078 7.763 1.00 13.33 O ATOM 1306 OE2 GLU A 95 5.049 10.323 9.009 1.00 73.34 O ATOM 0 H GLU A 95 4.527 5.408 7.869 1.00 12.03 H new ATOM 0 HA GLU A 95 2.317 6.449 9.199 1.00 42.23 H new ATOM 0 HB2 GLU A 95 3.991 7.519 6.880 1.00 44.30 H new ATOM 0 HB3 GLU A 95 2.825 8.499 7.745 1.00 44.30 H new ATOM 0 HG2 GLU A 95 4.073 8.151 9.852 1.00 1.53 H new ATOM 0 HG3 GLU A 95 5.226 7.134 9.011 1.00 1.53 H new ATOM 1313 N ALA A 96 0.378 6.924 7.683 1.00 64.52 N ATOM 1314 CA ALA A 96 -0.882 6.918 6.937 1.00 54.34 C ATOM 1315 C ALA A 96 -0.769 7.656 5.595 1.00 50.43 C ATOM 1316 O ALA A 96 0.129 8.477 5.392 1.00 55.02 O ATOM 1317 CB ALA A 96 -1.980 7.533 7.796 1.00 1.54 C ATOM 0 H ALA A 96 0.335 7.438 8.563 1.00 64.52 H new ATOM 0 HA ALA A 96 -1.131 5.883 6.705 1.00 54.34 H new ATOM 0 HB1 ALA A 96 -2.919 7.530 7.243 1.00 1.54 H new ATOM 0 HB2 ALA A 96 -2.095 6.951 8.711 1.00 1.54 H new ATOM 0 HB3 ALA A 96 -1.712 8.559 8.050 1.00 1.54 H new ATOM 1323 N GLY A 97 -1.692 7.362 4.679 1.00 41.01 N ATOM 1324 CA GLY A 97 -1.650 7.966 3.352 1.00 72.22 C ATOM 1325 C GLY A 97 -0.608 7.316 2.451 1.00 1.30 C ATOM 1326 O GLY A 97 0.152 7.999 1.763 1.00 51.45 O ATOM 0 H GLY A 97 -2.468 6.717 4.831 1.00 41.01 H new ATOM 0 HA2 GLY A 97 -2.632 7.882 2.886 1.00 72.22 H new ATOM 0 HA3 GLY A 97 -1.432 9.030 3.447 1.00 72.22 H new ATOM 1330 N SER A 98 -0.569 5.988 2.465 1.00 23.53 N ATOM 1331 CA SER A 98 0.392 5.228 1.656 1.00 31.31 C ATOM 1332 C SER A 98 -0.111 3.805 1.389 1.00 52.12 C ATOM 1333 O SER A 98 -1.195 3.423 1.830 1.00 53.23 O ATOM 1334 CB SER A 98 1.761 5.170 2.353 1.00 63.42 C ATOM 1335 OG SER A 98 1.702 4.440 3.570 1.00 71.02 O ATOM 0 H SER A 98 -1.192 5.409 3.028 1.00 23.53 H new ATOM 0 HA SER A 98 0.498 5.744 0.702 1.00 31.31 H new ATOM 0 HB2 SER A 98 2.489 4.708 1.687 1.00 63.42 H new ATOM 0 HB3 SER A 98 2.110 6.183 2.553 1.00 63.42 H new ATOM 0 HG SER A 98 1.652 5.064 4.324 1.00 71.02 H new ATOM 1341 N ILE A 99 0.682 3.030 0.657 1.00 53.12 N ATOM 1342 CA ILE A 99 0.316 1.656 0.292 1.00 13.03 C ATOM 1343 C ILE A 99 1.390 0.666 0.759 1.00 24.43 C ATOM 1344 O ILE A 99 2.556 0.798 0.391 1.00 63.34 O ATOM 1345 CB ILE A 99 0.154 1.537 -1.245 1.00 51.22 C ATOM 1346 CG1 ILE A 99 -0.825 2.608 -1.762 1.00 42.23 C ATOM 1347 CG2 ILE A 99 -0.322 0.136 -1.633 1.00 64.00 C ATOM 1348 CD1 ILE A 99 -0.822 2.769 -3.263 1.00 73.04 C ATOM 0 H ILE A 99 1.590 3.328 0.300 1.00 53.12 H new ATOM 0 HA ILE A 99 -0.628 1.417 0.782 1.00 13.03 H new ATOM 0 HB ILE A 99 1.126 1.703 -1.709 1.00 51.22 H new ATOM 0 HG12 ILE A 99 -1.833 2.352 -1.436 1.00 42.23 H new ATOM 0 HG13 ILE A 99 -0.576 3.565 -1.304 1.00 42.23 H new ATOM 0 HG21 ILE A 99 -0.429 0.075 -2.716 1.00 64.00 H new ATOM 0 HG22 ILE A 99 0.407 -0.602 -1.298 1.00 64.00 H new ATOM 0 HG23 ILE A 99 -1.284 -0.065 -1.162 1.00 64.00 H new ATOM 0 HD11 ILE A 99 -1.537 3.541 -3.548 1.00 73.04 H new ATOM 0 HD12 ILE A 99 0.175 3.057 -3.596 1.00 73.04 H new ATOM 0 HD13 ILE A 99 -1.102 1.825 -3.731 1.00 73.04 H new ATOM 1360 N LEU A 100 1.010 -0.321 1.568 1.00 33.25 N ATOM 1361 CA LEU A 100 1.980 -1.318 2.046 1.00 53.32 C ATOM 1362 C LEU A 100 1.920 -2.597 1.199 1.00 24.22 C ATOM 1363 O LEU A 100 0.841 -3.104 0.886 1.00 32.40 O ATOM 1364 CB LEU A 100 1.774 -1.645 3.540 1.00 33.05 C ATOM 1365 CG LEU A 100 0.651 -2.641 3.896 1.00 52.30 C ATOM 1366 CD1 LEU A 100 0.612 -2.888 5.403 1.00 23.33 C ATOM 1367 CD2 LEU A 100 -0.707 -2.150 3.402 1.00 54.01 C ATOM 0 H LEU A 100 0.056 -0.456 1.904 1.00 33.25 H new ATOM 0 HA LEU A 100 2.972 -0.880 1.937 1.00 53.32 H new ATOM 0 HB2 LEU A 100 2.712 -2.039 3.932 1.00 33.05 H new ATOM 0 HB3 LEU A 100 1.576 -0.711 4.066 1.00 33.05 H new ATOM 0 HG LEU A 100 0.870 -3.582 3.391 1.00 52.30 H new ATOM 0 HD11 LEU A 100 -0.186 -3.593 5.636 1.00 23.33 H new ATOM 0 HD12 LEU A 100 1.567 -3.300 5.729 1.00 23.33 H new ATOM 0 HD13 LEU A 100 0.427 -1.947 5.921 1.00 23.33 H new ATOM 0 HD21 LEU A 100 -1.475 -2.875 3.669 1.00 54.01 H new ATOM 0 HD22 LEU A 100 -0.937 -1.190 3.865 1.00 54.01 H new ATOM 0 HD23 LEU A 100 -0.680 -2.033 2.319 1.00 54.01 H new ATOM 1379 N GLN A 101 3.086 -3.103 0.813 1.00 50.43 N ATOM 1380 CA GLN A 101 3.174 -4.316 -0.001 1.00 63.54 C ATOM 1381 C GLN A 101 3.542 -5.547 0.837 1.00 51.23 C ATOM 1382 O GLN A 101 4.626 -5.618 1.419 1.00 42.32 O ATOM 1383 CB GLN A 101 4.198 -4.129 -1.127 1.00 60.31 C ATOM 1384 CG GLN A 101 4.493 -5.410 -1.904 1.00 41.24 C ATOM 1385 CD GLN A 101 5.413 -5.179 -3.087 1.00 30.24 C ATOM 1386 OE1 GLN A 101 5.387 -4.134 -3.709 1.00 61.12 O ATOM 1387 NE2 GLN A 101 6.238 -6.151 -3.398 1.00 73.32 N ATOM 0 H GLN A 101 3.989 -2.692 1.051 1.00 50.43 H new ATOM 0 HA GLN A 101 2.187 -4.489 -0.430 1.00 63.54 H new ATOM 0 HB2 GLN A 101 3.831 -3.371 -1.819 1.00 60.31 H new ATOM 0 HB3 GLN A 101 5.127 -3.749 -0.702 1.00 60.31 H new ATOM 0 HG2 GLN A 101 4.946 -6.140 -1.234 1.00 41.24 H new ATOM 0 HG3 GLN A 101 3.556 -5.840 -2.257 1.00 41.24 H new ATOM 0 HE21 GLN A 101 6.235 -7.015 -2.856 1.00 73.32 H new ATOM 0 HE22 GLN A 101 6.882 -6.042 -4.181 1.00 73.32 H new ATOM 1396 N SER A 102 2.626 -6.509 0.886 1.00 70.22 N ATOM 1397 CA SER A 102 2.868 -7.807 1.527 1.00 43.31 C ATOM 1398 C SER A 102 3.153 -8.874 0.465 1.00 60.34 C ATOM 1399 O SER A 102 2.294 -9.179 -0.365 1.00 32.43 O ATOM 1400 CB SER A 102 1.645 -8.221 2.364 1.00 54.11 C ATOM 1401 OG SER A 102 1.849 -9.468 3.009 1.00 51.03 O ATOM 0 H SER A 102 1.693 -6.416 0.484 1.00 70.22 H new ATOM 0 HA SER A 102 3.734 -7.716 2.183 1.00 43.31 H new ATOM 0 HB2 SER A 102 1.439 -7.454 3.111 1.00 54.11 H new ATOM 0 HB3 SER A 102 0.768 -8.283 1.720 1.00 54.11 H new ATOM 0 HG SER A 102 2.465 -9.350 3.762 1.00 51.03 H new ATOM 1407 N THR A 103 4.362 -9.425 0.471 1.00 44.21 N ATOM 1408 CA THR A 103 4.745 -10.457 -0.506 1.00 3.22 C ATOM 1409 C THR A 103 4.132 -11.821 -0.162 1.00 44.05 C ATOM 1410 O THR A 103 4.836 -12.772 0.191 1.00 44.33 O ATOM 1411 CB THR A 103 6.284 -10.597 -0.625 1.00 22.42 C ATOM 1412 OG1 THR A 103 6.868 -10.847 0.668 1.00 21.13 O ATOM 1413 CG2 THR A 103 6.902 -9.339 -1.226 1.00 62.42 C ATOM 0 H THR A 103 5.096 -9.181 1.136 1.00 44.21 H new ATOM 0 HA THR A 103 4.350 -10.128 -1.467 1.00 3.22 H new ATOM 0 HB THR A 103 6.491 -11.440 -1.284 1.00 22.42 H new ATOM 0 HG1 THR A 103 6.451 -11.638 1.068 1.00 21.13 H new ATOM 0 HG21 THR A 103 7.982 -9.463 -1.299 1.00 62.42 H new ATOM 0 HG22 THR A 103 6.489 -9.170 -2.220 1.00 62.42 H new ATOM 0 HG23 THR A 103 6.677 -8.483 -0.589 1.00 62.42 H new ATOM 1421 N ALA A 104 2.807 -11.901 -0.262 1.00 1.41 N ATOM 1422 CA ALA A 104 2.068 -13.133 0.029 1.00 33.30 C ATOM 1423 C ALA A 104 2.088 -14.111 -1.156 1.00 11.23 C ATOM 1424 O ALA A 104 2.476 -13.752 -2.274 1.00 42.52 O ATOM 1425 CB ALA A 104 0.630 -12.794 0.410 1.00 35.02 C ATOM 0 H ALA A 104 2.216 -11.120 -0.545 1.00 1.41 H new ATOM 0 HA ALA A 104 2.562 -13.628 0.865 1.00 33.30 H new ATOM 0 HB1 ALA A 104 0.084 -13.713 0.625 1.00 35.02 H new ATOM 0 HB2 ALA A 104 0.629 -12.155 1.293 1.00 35.02 H new ATOM 0 HB3 ALA A 104 0.148 -12.271 -0.416 1.00 35.02 H new ATOM 1431 N GLY A 105 1.644 -15.342 -0.905 1.00 54.10 N ATOM 1432 CA GLY A 105 1.645 -16.380 -1.932 1.00 21.30 C ATOM 1433 C GLY A 105 0.764 -16.060 -3.141 1.00 52.12 C ATOM 1434 O GLY A 105 1.019 -16.548 -4.243 1.00 60.54 O ATOM 0 H GLY A 105 1.280 -15.643 -0.001 1.00 54.10 H new ATOM 0 HA2 GLY A 105 2.668 -16.539 -2.273 1.00 21.30 H new ATOM 0 HA3 GLY A 105 1.308 -17.317 -1.488 1.00 21.30 H new ATOM 1438 N GLY A 106 -0.274 -15.245 -2.944 1.00 72.13 N ATOM 1439 CA GLY A 106 -1.177 -14.891 -4.042 1.00 51.15 C ATOM 1440 C GLY A 106 -0.612 -13.829 -4.987 1.00 74.11 C ATOM 1441 O GLY A 106 -1.291 -12.850 -5.305 1.00 0.11 O ATOM 0 H GLY A 106 -0.509 -14.822 -2.046 1.00 72.13 H new ATOM 0 HA2 GLY A 106 -1.407 -15.789 -4.615 1.00 51.15 H new ATOM 0 HA3 GLY A 106 -2.117 -14.530 -3.625 1.00 51.15 H new ATOM 1445 N TYR A 107 0.629 -14.030 -5.443 1.00 21.14 N ATOM 1446 CA TYR A 107 1.300 -13.097 -6.365 1.00 51.33 C ATOM 1447 C TYR A 107 1.418 -11.682 -5.768 1.00 55.11 C ATOM 1448 O TYR A 107 1.489 -10.686 -6.498 1.00 22.34 O ATOM 1449 CB TYR A 107 0.560 -13.053 -7.712 1.00 73.24 C ATOM 1450 CG TYR A 107 0.410 -14.414 -8.365 1.00 12.14 C ATOM 1451 CD1 TYR A 107 1.510 -15.071 -8.903 1.00 42.13 C ATOM 1452 CD2 TYR A 107 -0.828 -15.045 -8.433 1.00 43.03 C ATOM 1453 CE1 TYR A 107 1.382 -16.314 -9.491 1.00 13.45 C ATOM 1454 CE2 TYR A 107 -0.963 -16.289 -9.018 1.00 52.11 C ATOM 1455 CZ TYR A 107 0.145 -16.918 -9.549 1.00 52.54 C ATOM 1456 OH TYR A 107 0.016 -18.160 -10.129 1.00 54.54 O ATOM 0 H TYR A 107 1.197 -14.838 -5.187 1.00 21.14 H new ATOM 0 HA TYR A 107 2.313 -13.467 -6.527 1.00 51.33 H new ATOM 0 HB2 TYR A 107 -0.429 -12.621 -7.560 1.00 73.24 H new ATOM 0 HB3 TYR A 107 1.097 -12.390 -8.391 1.00 73.24 H new ATOM 0 HD1 TYR A 107 2.482 -14.601 -8.861 1.00 42.13 H new ATOM 0 HD2 TYR A 107 -1.698 -14.554 -8.022 1.00 43.03 H new ATOM 0 HE1 TYR A 107 2.248 -16.810 -9.904 1.00 13.45 H new ATOM 0 HE2 TYR A 107 -1.931 -16.767 -9.060 1.00 52.11 H new ATOM 0 HH TYR A 107 -0.921 -18.445 -10.088 1.00 54.54 H new ATOM 1466 N GLY A 108 1.470 -11.608 -4.440 1.00 11.14 N ATOM 1467 CA GLY A 108 1.590 -10.325 -3.754 1.00 23.21 C ATOM 1468 C GLY A 108 0.248 -9.738 -3.322 1.00 11.34 C ATOM 1469 O GLY A 108 -0.783 -9.992 -3.947 1.00 33.34 O ATOM 0 H GLY A 108 1.431 -12.417 -3.821 1.00 11.14 H new ATOM 0 HA2 GLY A 108 2.223 -10.449 -2.875 1.00 23.21 H new ATOM 0 HA3 GLY A 108 2.093 -9.616 -4.411 1.00 23.21 H new ATOM 1473 N HIS A 109 0.266 -8.939 -2.260 1.00 53.22 N ATOM 1474 CA HIS A 109 -0.945 -8.304 -1.734 1.00 24.34 C ATOM 1475 C HIS A 109 -0.656 -6.868 -1.269 1.00 33.31 C ATOM 1476 O HIS A 109 0.300 -6.628 -0.539 1.00 41.32 O ATOM 1477 CB HIS A 109 -1.508 -9.134 -0.570 1.00 23.12 C ATOM 1478 CG HIS A 109 -2.633 -8.467 0.160 1.00 23.14 C ATOM 1479 ND1 HIS A 109 -3.811 -8.152 -0.473 1.00 54.24 N ATOM 1480 CD2 HIS A 109 -2.706 -8.071 1.455 1.00 32.11 C ATOM 1481 CE1 HIS A 109 -4.569 -7.575 0.443 1.00 32.34 C ATOM 1482 NE2 HIS A 109 -3.942 -7.505 1.626 1.00 3.32 N ATOM 0 H HIS A 109 1.114 -8.712 -1.740 1.00 53.22 H new ATOM 0 HA HIS A 109 -1.684 -8.259 -2.534 1.00 24.34 H new ATOM 0 HB2 HIS A 109 -1.855 -10.093 -0.955 1.00 23.12 H new ATOM 0 HB3 HIS A 109 -0.704 -9.345 0.135 1.00 23.12 H new ATOM 0 HD2 HIS A 109 -1.938 -8.181 2.206 1.00 32.11 H new ATOM 0 HE1 HIS A 109 -5.568 -7.206 0.261 1.00 32.34 H new ATOM 0 HE2 HIS A 109 -4.314 -7.107 2.488 1.00 3.32 H new ATOM 1490 N VAL A 110 -1.483 -5.918 -1.698 1.00 20.54 N ATOM 1491 CA VAL A 110 -1.333 -4.518 -1.286 1.00 41.30 C ATOM 1492 C VAL A 110 -2.643 -3.957 -0.719 1.00 31.23 C ATOM 1493 O VAL A 110 -3.734 -4.335 -1.149 1.00 34.11 O ATOM 1494 CB VAL A 110 -0.863 -3.620 -2.462 1.00 74.42 C ATOM 1495 CG1 VAL A 110 0.553 -3.988 -2.902 1.00 60.20 C ATOM 1496 CG2 VAL A 110 -1.840 -3.705 -3.637 1.00 33.15 C ATOM 0 H VAL A 110 -2.265 -6.088 -2.331 1.00 20.54 H new ATOM 0 HA VAL A 110 -0.571 -4.506 -0.507 1.00 41.30 H new ATOM 0 HB VAL A 110 -0.846 -2.588 -2.110 1.00 74.42 H new ATOM 0 HG11 VAL A 110 0.857 -3.343 -3.727 1.00 60.20 H new ATOM 0 HG12 VAL A 110 1.240 -3.855 -2.066 1.00 60.20 H new ATOM 0 HG13 VAL A 110 0.574 -5.028 -3.227 1.00 60.20 H new ATOM 0 HG21 VAL A 110 -1.489 -3.067 -4.449 1.00 33.15 H new ATOM 0 HG22 VAL A 110 -1.901 -4.736 -3.986 1.00 33.15 H new ATOM 0 HG23 VAL A 110 -2.827 -3.372 -3.315 1.00 33.15 H new ATOM 1506 N ALA A 111 -2.522 -3.056 0.250 1.00 14.25 N ATOM 1507 CA ALA A 111 -3.685 -2.395 0.856 1.00 21.20 C ATOM 1508 C ALA A 111 -3.381 -0.922 1.173 1.00 21.03 C ATOM 1509 O ALA A 111 -2.220 -0.536 1.323 1.00 43.41 O ATOM 1510 CB ALA A 111 -4.129 -3.143 2.112 1.00 2.20 C ATOM 0 H ALA A 111 -1.626 -2.761 0.639 1.00 14.25 H new ATOM 0 HA ALA A 111 -4.503 -2.417 0.136 1.00 21.20 H new ATOM 0 HB1 ALA A 111 -4.992 -2.640 2.549 1.00 2.20 H new ATOM 0 HB2 ALA A 111 -4.399 -4.166 1.850 1.00 2.20 H new ATOM 0 HB3 ALA A 111 -3.313 -3.157 2.835 1.00 2.20 H new ATOM 1516 N TYR A 112 -4.423 -0.099 1.261 1.00 14.22 N ATOM 1517 CA TYR A 112 -4.244 1.329 1.548 1.00 34.12 C ATOM 1518 C TYR A 112 -4.199 1.602 3.060 1.00 43.40 C ATOM 1519 O TYR A 112 -5.099 1.206 3.800 1.00 52.45 O ATOM 1520 CB TYR A 112 -5.365 2.157 0.903 1.00 0.53 C ATOM 1521 CG TYR A 112 -5.312 3.633 1.265 1.00 10.04 C ATOM 1522 CD1 TYR A 112 -4.348 4.471 0.713 1.00 25.54 C ATOM 1523 CD2 TYR A 112 -6.215 4.181 2.172 1.00 2.44 C ATOM 1524 CE1 TYR A 112 -4.284 5.808 1.056 1.00 44.03 C ATOM 1525 CE2 TYR A 112 -6.160 5.518 2.516 1.00 21.12 C ATOM 1526 CZ TYR A 112 -5.193 6.325 1.957 1.00 31.20 C ATOM 1527 OH TYR A 112 -5.127 7.656 2.306 1.00 32.52 O ATOM 0 H TYR A 112 -5.393 -0.389 1.140 1.00 14.22 H new ATOM 0 HA TYR A 112 -3.287 1.627 1.120 1.00 34.12 H new ATOM 0 HB2 TYR A 112 -5.305 2.054 -0.180 1.00 0.53 H new ATOM 0 HB3 TYR A 112 -6.329 1.750 1.209 1.00 0.53 H new ATOM 0 HD1 TYR A 112 -3.638 4.070 0.005 1.00 25.54 H new ATOM 0 HD2 TYR A 112 -6.972 3.550 2.614 1.00 2.44 H new ATOM 0 HE1 TYR A 112 -3.527 6.445 0.622 1.00 44.03 H new ATOM 0 HE2 TYR A 112 -6.870 5.928 3.219 1.00 21.12 H new ATOM 0 HH TYR A 112 -5.838 7.861 2.949 1.00 32.52 H new ATOM 1537 N VAL A 113 -3.153 2.292 3.503 1.00 5.41 N ATOM 1538 CA VAL A 113 -3.011 2.676 4.909 1.00 15.45 C ATOM 1539 C VAL A 113 -3.901 3.885 5.247 1.00 30.23 C ATOM 1540 O VAL A 113 -3.599 5.022 4.866 1.00 41.41 O ATOM 1541 CB VAL A 113 -1.537 3.013 5.247 1.00 53.05 C ATOM 1542 CG1 VAL A 113 -1.394 3.386 6.720 1.00 12.12 C ATOM 1543 CG2 VAL A 113 -0.618 1.845 4.881 1.00 40.13 C ATOM 0 H VAL A 113 -2.385 2.600 2.907 1.00 5.41 H new ATOM 0 HA VAL A 113 -3.329 1.824 5.510 1.00 15.45 H new ATOM 0 HB VAL A 113 -1.236 3.875 4.652 1.00 53.05 H new ATOM 0 HG11 VAL A 113 -0.352 3.619 6.937 1.00 12.12 H new ATOM 0 HG12 VAL A 113 -2.013 4.257 6.937 1.00 12.12 H new ATOM 0 HG13 VAL A 113 -1.715 2.549 7.340 1.00 12.12 H new ATOM 0 HG21 VAL A 113 0.412 2.102 5.126 1.00 40.13 H new ATOM 0 HG22 VAL A 113 -0.914 0.959 5.442 1.00 40.13 H new ATOM 0 HG23 VAL A 113 -0.697 1.641 3.813 1.00 40.13 H new ATOM 1553 N GLU A 114 -5.003 3.632 5.954 1.00 63.33 N ATOM 1554 CA GLU A 114 -5.955 4.692 6.308 1.00 12.13 C ATOM 1555 C GLU A 114 -5.510 5.456 7.563 1.00 12.21 C ATOM 1556 O GLU A 114 -5.490 6.690 7.582 1.00 22.32 O ATOM 1557 CB GLU A 114 -7.352 4.101 6.533 1.00 51.23 C ATOM 1558 CG GLU A 114 -7.886 3.309 5.345 1.00 64.43 C ATOM 1559 CD GLU A 114 -9.350 2.927 5.506 1.00 14.32 C ATOM 1560 OE1 GLU A 114 -9.678 2.171 6.447 1.00 2.01 O ATOM 1561 OE2 GLU A 114 -10.182 3.376 4.690 1.00 2.52 O ATOM 0 H GLU A 114 -5.260 2.705 6.293 1.00 63.33 H new ATOM 0 HA GLU A 114 -5.986 5.394 5.475 1.00 12.13 H new ATOM 0 HB2 GLU A 114 -7.324 3.451 7.408 1.00 51.23 H new ATOM 0 HB3 GLU A 114 -8.046 4.910 6.759 1.00 51.23 H new ATOM 0 HG2 GLU A 114 -7.766 3.899 4.436 1.00 64.43 H new ATOM 0 HG3 GLU A 114 -7.290 2.405 5.219 1.00 64.43 H new ATOM 1568 N ASN A 115 -5.147 4.717 8.610 1.00 31.13 N ATOM 1569 CA ASN A 115 -4.743 5.323 9.885 1.00 35.54 C ATOM 1570 C ASN A 115 -3.736 4.438 10.638 1.00 34.10 C ATOM 1571 O ASN A 115 -3.727 3.216 10.484 1.00 74.34 O ATOM 1572 CB ASN A 115 -5.984 5.590 10.753 1.00 22.35 C ATOM 1573 CG ASN A 115 -5.646 6.264 12.070 1.00 34.22 C ATOM 1574 OD1 ASN A 115 -5.534 7.482 12.146 1.00 70.01 O ATOM 1575 ND2 ASN A 115 -5.507 5.484 13.119 1.00 11.22 N ATOM 0 H ASN A 115 -5.123 3.697 8.604 1.00 31.13 H new ATOM 0 HA ASN A 115 -4.247 6.269 9.669 1.00 35.54 H new ATOM 0 HB2 ASN A 115 -6.682 6.217 10.198 1.00 22.35 H new ATOM 0 HB3 ASN A 115 -6.492 4.647 10.953 1.00 22.35 H new ATOM 0 HD21 ASN A 115 -5.299 5.889 14.032 1.00 11.22 H new ATOM 0 HD22 ASN A 115 -5.607 4.474 13.020 1.00 11.22 H new ATOM 1582 N VAL A 116 -2.885 5.066 11.449 1.00 74.45 N ATOM 1583 CA VAL A 116 -1.848 4.353 12.206 1.00 60.03 C ATOM 1584 C VAL A 116 -1.918 4.698 13.702 1.00 62.22 C ATOM 1585 O VAL A 116 -2.099 5.861 14.069 1.00 12.52 O ATOM 1586 CB VAL A 116 -0.432 4.712 11.680 1.00 63.23 C ATOM 1587 CG1 VAL A 116 0.639 3.859 12.358 1.00 0.44 C ATOM 1588 CG2 VAL A 116 -0.366 4.571 10.161 1.00 3.35 C ATOM 0 H VAL A 116 -2.891 6.075 11.601 1.00 74.45 H new ATOM 0 HA VAL A 116 -2.030 3.287 12.071 1.00 60.03 H new ATOM 0 HB VAL A 116 -0.234 5.754 11.931 1.00 63.23 H new ATOM 0 HG11 VAL A 116 1.621 4.132 11.970 1.00 0.44 H new ATOM 0 HG12 VAL A 116 0.613 4.030 13.434 1.00 0.44 H new ATOM 0 HG13 VAL A 116 0.448 2.805 12.154 1.00 0.44 H new ATOM 0 HG21 VAL A 116 0.635 4.828 9.815 1.00 3.35 H new ATOM 0 HG22 VAL A 116 -0.594 3.543 9.881 1.00 3.35 H new ATOM 0 HG23 VAL A 116 -1.092 5.242 9.701 1.00 3.35 H new ATOM 1598 N ASN A 117 -1.768 3.692 14.559 1.00 44.20 N ATOM 1599 CA ASN A 117 -1.750 3.910 16.012 1.00 1.11 C ATOM 1600 C ASN A 117 -0.396 4.464 16.479 1.00 13.15 C ATOM 1601 O ASN A 117 0.598 4.400 15.754 1.00 44.53 O ATOM 1602 CB ASN A 117 -2.066 2.611 16.762 1.00 54.23 C ATOM 1603 CG ASN A 117 -3.466 2.107 16.484 1.00 11.35 C ATOM 1604 OD1 ASN A 117 -3.686 0.830 16.693 1.00 41.15 O flip ATOM 1605 ND2 ASN A 117 -4.353 2.870 16.118 1.00 21.14 N flip ATOM 0 H ASN A 117 -1.657 2.718 14.278 1.00 44.20 H new ATOM 0 HA ASN A 117 -2.520 4.647 16.239 1.00 1.11 H new ATOM 0 HB2 ASN A 117 -1.344 1.846 16.476 1.00 54.23 H new ATOM 0 HB3 ASN A 117 -1.949 2.776 17.833 1.00 54.23 H new ATOM 0 HD21 ASN A 117 -4.146 3.857 15.965 1.00 21.14 H new ATOM 0 HD22 ASN A 117 -5.298 2.518 15.966 1.00 21.14 H new ATOM 1612 N SER A 118 -0.362 5.002 17.699 1.00 72.32 N ATOM 1613 CA SER A 118 0.870 5.575 18.271 1.00 14.34 C ATOM 1614 C SER A 118 1.969 4.513 18.445 1.00 45.12 C ATOM 1615 O SER A 118 3.160 4.819 18.351 1.00 42.30 O ATOM 1616 CB SER A 118 0.573 6.235 19.626 1.00 21.22 C ATOM 1617 OG SER A 118 -0.451 7.212 19.511 1.00 31.22 O ATOM 0 H SER A 118 -1.173 5.056 18.316 1.00 72.32 H new ATOM 0 HA SER A 118 1.234 6.326 17.569 1.00 14.34 H new ATOM 0 HB2 SER A 118 0.273 5.473 20.346 1.00 21.22 H new ATOM 0 HB3 SER A 118 1.480 6.700 20.013 1.00 21.22 H new ATOM 0 HG SER A 118 -0.620 7.614 20.389 1.00 31.22 H new ATOM 1623 N ASP A 119 1.566 3.267 18.702 1.00 53.44 N ATOM 1624 CA ASP A 119 2.524 2.164 18.856 1.00 34.02 C ATOM 1625 C ASP A 119 3.126 1.736 17.506 1.00 32.23 C ATOM 1626 O ASP A 119 4.317 1.440 17.419 1.00 41.23 O ATOM 1627 CB ASP A 119 1.863 0.965 19.552 1.00 50.14 C ATOM 1628 CG ASP A 119 0.620 0.473 18.833 1.00 4.42 C ATOM 1629 OD1 ASP A 119 0.751 -0.304 17.869 1.00 61.52 O ATOM 1630 OD2 ASP A 119 -0.496 0.866 19.232 1.00 35.15 O ATOM 0 H ASP A 119 0.589 2.995 18.808 1.00 53.44 H new ATOM 0 HA ASP A 119 3.340 2.528 19.480 1.00 34.02 H new ATOM 0 HB2 ASP A 119 2.583 0.150 19.621 1.00 50.14 H new ATOM 0 HB3 ASP A 119 1.599 1.244 20.572 1.00 50.14 H new ATOM 1635 N GLY A 120 2.304 1.714 16.459 1.00 25.10 N ATOM 1636 CA GLY A 120 2.783 1.301 15.141 1.00 11.54 C ATOM 1637 C GLY A 120 1.771 0.478 14.346 1.00 51.24 C ATOM 1638 O GLY A 120 1.965 0.243 13.155 1.00 50.44 O ATOM 0 H GLY A 120 1.318 1.973 16.495 1.00 25.10 H new ATOM 0 HA2 GLY A 120 3.047 2.189 14.566 1.00 11.54 H new ATOM 0 HA3 GLY A 120 3.696 0.718 15.263 1.00 11.54 H new ATOM 1642 N SER A 121 0.703 0.020 15.007 1.00 3.12 N ATOM 1643 CA SER A 121 -0.362 -0.742 14.330 1.00 54.35 C ATOM 1644 C SER A 121 -0.942 0.025 13.140 1.00 55.02 C ATOM 1645 O SER A 121 -1.348 1.182 13.262 1.00 21.22 O ATOM 1646 CB SER A 121 -1.492 -1.095 15.300 1.00 33.31 C ATOM 1647 OG SER A 121 -1.038 -1.955 16.334 1.00 45.41 O ATOM 0 H SER A 121 0.549 0.161 16.006 1.00 3.12 H new ATOM 0 HA SER A 121 0.098 -1.659 13.963 1.00 54.35 H new ATOM 0 HB2 SER A 121 -1.898 -0.182 15.736 1.00 33.31 H new ATOM 0 HB3 SER A 121 -2.304 -1.576 14.755 1.00 33.31 H new ATOM 0 HG SER A 121 -0.426 -1.465 16.922 1.00 45.41 H new ATOM 1653 N VAL A 122 -0.988 -0.643 12.000 1.00 43.25 N ATOM 1654 CA VAL A 122 -1.435 -0.035 10.747 1.00 10.11 C ATOM 1655 C VAL A 122 -2.831 -0.530 10.340 1.00 34.32 C ATOM 1656 O VAL A 122 -3.042 -1.724 10.128 1.00 61.33 O ATOM 1657 CB VAL A 122 -0.433 -0.346 9.607 1.00 72.13 C ATOM 1658 CG1 VAL A 122 -0.850 0.337 8.310 1.00 70.34 C ATOM 1659 CG2 VAL A 122 0.981 0.068 10.007 1.00 61.03 C ATOM 0 H VAL A 122 -0.718 -1.623 11.911 1.00 43.25 H new ATOM 0 HA VAL A 122 -1.485 1.041 10.912 1.00 10.11 H new ATOM 0 HB VAL A 122 -0.440 -1.422 9.435 1.00 72.13 H new ATOM 0 HG11 VAL A 122 -0.129 0.102 7.527 1.00 70.34 H new ATOM 0 HG12 VAL A 122 -1.837 -0.018 8.013 1.00 70.34 H new ATOM 0 HG13 VAL A 122 -0.882 1.416 8.461 1.00 70.34 H new ATOM 0 HG21 VAL A 122 1.670 -0.158 9.194 1.00 61.03 H new ATOM 0 HG22 VAL A 122 1.002 1.138 10.213 1.00 61.03 H new ATOM 0 HG23 VAL A 122 1.282 -0.480 10.900 1.00 61.03 H new ATOM 1669 N GLU A 123 -3.780 0.395 10.239 1.00 21.31 N ATOM 1670 CA GLU A 123 -5.144 0.072 9.806 1.00 44.13 C ATOM 1671 C GLU A 123 -5.281 0.237 8.283 1.00 72.51 C ATOM 1672 O GLU A 123 -5.291 1.361 7.763 1.00 41.13 O ATOM 1673 CB GLU A 123 -6.152 0.964 10.543 1.00 34.32 C ATOM 1674 CG GLU A 123 -6.070 0.837 12.063 1.00 71.51 C ATOM 1675 CD GLU A 123 -7.060 1.734 12.785 1.00 0.00 C ATOM 1676 OE1 GLU A 123 -6.829 2.961 12.842 1.00 35.03 O ATOM 1677 OE2 GLU A 123 -8.074 1.222 13.303 1.00 25.13 O ATOM 0 H GLU A 123 -3.633 1.382 10.452 1.00 21.31 H new ATOM 0 HA GLU A 123 -5.355 -0.969 10.052 1.00 44.13 H new ATOM 0 HB2 GLU A 123 -5.981 2.003 10.262 1.00 34.32 H new ATOM 0 HB3 GLU A 123 -7.160 0.708 10.217 1.00 34.32 H new ATOM 0 HG2 GLU A 123 -6.253 -0.200 12.346 1.00 71.51 H new ATOM 0 HG3 GLU A 123 -5.059 1.083 12.389 1.00 71.51 H new ATOM 1684 N VAL A 124 -5.375 -0.887 7.573 1.00 25.42 N ATOM 1685 CA VAL A 124 -5.398 -0.884 6.104 1.00 65.04 C ATOM 1686 C VAL A 124 -6.757 -1.322 5.530 1.00 14.34 C ATOM 1687 O VAL A 124 -7.467 -2.142 6.120 1.00 41.44 O ATOM 1688 CB VAL A 124 -4.290 -1.804 5.533 1.00 62.24 C ATOM 1689 CG1 VAL A 124 -2.913 -1.336 5.991 1.00 64.11 C ATOM 1690 CG2 VAL A 124 -4.527 -3.264 5.931 1.00 13.23 C ATOM 0 H VAL A 124 -5.437 -1.816 7.990 1.00 25.42 H new ATOM 0 HA VAL A 124 -5.220 0.148 5.801 1.00 65.04 H new ATOM 0 HB VAL A 124 -4.329 -1.743 4.445 1.00 62.24 H new ATOM 0 HG11 VAL A 124 -2.149 -1.995 5.579 1.00 64.11 H new ATOM 0 HG12 VAL A 124 -2.740 -0.318 5.642 1.00 64.11 H new ATOM 0 HG13 VAL A 124 -2.864 -1.360 7.080 1.00 64.11 H new ATOM 0 HG21 VAL A 124 -3.735 -3.887 5.517 1.00 13.23 H new ATOM 0 HG22 VAL A 124 -4.526 -3.350 7.018 1.00 13.23 H new ATOM 0 HG23 VAL A 124 -5.490 -3.595 5.542 1.00 13.23 H new ATOM 1700 N SER A 125 -7.102 -0.767 4.367 1.00 63.50 N ATOM 1701 CA SER A 125 -8.343 -1.121 3.666 1.00 62.41 C ATOM 1702 C SER A 125 -8.081 -2.133 2.540 1.00 14.31 C ATOM 1703 O SER A 125 -7.433 -1.816 1.537 1.00 23.03 O ATOM 1704 CB SER A 125 -9.009 0.134 3.080 1.00 74.12 C ATOM 1705 OG SER A 125 -8.183 0.754 2.104 1.00 2.32 O ATOM 0 H SER A 125 -6.538 -0.066 3.886 1.00 63.50 H new ATOM 0 HA SER A 125 -9.011 -1.578 4.396 1.00 62.41 H new ATOM 0 HB2 SER A 125 -9.965 -0.136 2.631 1.00 74.12 H new ATOM 0 HB3 SER A 125 -9.222 0.842 3.881 1.00 74.12 H new ATOM 0 HG SER A 125 -7.703 0.066 1.597 1.00 2.32 H new ATOM 1711 N GLU A 126 -8.589 -3.348 2.718 1.00 70.11 N ATOM 1712 CA GLU A 126 -8.462 -4.420 1.720 1.00 2.11 C ATOM 1713 C GLU A 126 -9.847 -4.962 1.304 1.00 31.14 C ATOM 1714 O GLU A 126 -10.877 -4.403 1.676 1.00 72.25 O ATOM 1715 CB GLU A 126 -7.575 -5.550 2.280 1.00 43.12 C ATOM 1716 CG GLU A 126 -7.851 -5.880 3.747 1.00 3.43 C ATOM 1717 CD GLU A 126 -7.073 -7.086 4.261 1.00 21.02 C ATOM 1718 OE1 GLU A 126 -5.840 -7.155 4.032 1.00 52.12 O ATOM 1719 OE2 GLU A 126 -7.693 -7.969 4.893 1.00 51.45 O ATOM 0 H GLU A 126 -9.101 -3.624 3.556 1.00 70.11 H new ATOM 0 HA GLU A 126 -7.990 -4.010 0.827 1.00 2.11 H new ATOM 0 HB2 GLU A 126 -7.725 -6.448 1.681 1.00 43.12 H new ATOM 0 HB3 GLU A 126 -6.528 -5.265 2.172 1.00 43.12 H new ATOM 0 HG2 GLU A 126 -7.604 -5.012 4.358 1.00 3.43 H new ATOM 0 HG3 GLU A 126 -8.918 -6.066 3.874 1.00 3.43 H new ATOM 1726 N MET A 127 -9.865 -6.044 0.522 1.00 2.23 N ATOM 1727 CA MET A 127 -11.123 -6.651 0.048 1.00 53.51 C ATOM 1728 C MET A 127 -11.051 -8.189 0.117 1.00 73.02 C ATOM 1729 O MET A 127 -10.006 -8.776 -0.166 1.00 61.44 O ATOM 1730 CB MET A 127 -11.419 -6.187 -1.393 1.00 11.22 C ATOM 1731 CG MET A 127 -12.699 -6.768 -1.991 1.00 50.51 C ATOM 1732 SD MET A 127 -13.004 -6.200 -3.684 1.00 25.31 S ATOM 1733 CE MET A 127 -13.373 -4.467 -3.420 1.00 53.22 C ATOM 0 H MET A 127 -9.024 -6.523 0.200 1.00 2.23 H new ATOM 0 HA MET A 127 -11.934 -6.324 0.699 1.00 53.51 H new ATOM 0 HB2 MET A 127 -11.488 -5.099 -1.405 1.00 11.22 H new ATOM 0 HB3 MET A 127 -10.578 -6.460 -2.030 1.00 11.22 H new ATOM 0 HG2 MET A 127 -12.637 -7.856 -1.983 1.00 50.51 H new ATOM 0 HG3 MET A 127 -13.546 -6.493 -1.362 1.00 50.51 H new ATOM 0 HE1 MET A 127 -14.396 -4.261 -3.733 1.00 53.22 H new ATOM 0 HE2 MET A 127 -13.263 -4.229 -2.362 1.00 53.22 H new ATOM 0 HE3 MET A 127 -12.685 -3.855 -4.004 1.00 53.22 H new ATOM 1743 N ASN A 128 -12.157 -8.836 0.497 1.00 11.11 N ATOM 1744 CA ASN A 128 -12.170 -10.298 0.675 1.00 54.43 C ATOM 1745 C ASN A 128 -13.343 -10.966 -0.070 1.00 30.41 C ATOM 1746 O ASN A 128 -13.145 -11.638 -1.085 1.00 42.22 O ATOM 1747 CB ASN A 128 -12.230 -10.633 2.176 1.00 65.01 C ATOM 1748 CG ASN A 128 -12.084 -12.120 2.480 1.00 34.35 C ATOM 1749 OD1 ASN A 128 -12.470 -12.982 1.697 1.00 64.03 O ATOM 1750 ND2 ASN A 128 -11.527 -12.433 3.629 1.00 1.55 N ATOM 0 H ASN A 128 -13.049 -8.379 0.687 1.00 11.11 H new ATOM 0 HA ASN A 128 -11.251 -10.695 0.244 1.00 54.43 H new ATOM 0 HB2 ASN A 128 -11.441 -10.087 2.693 1.00 65.01 H new ATOM 0 HB3 ASN A 128 -13.179 -10.280 2.580 1.00 65.01 H new ATOM 0 HD21 ASN A 128 -11.407 -13.412 3.888 1.00 1.55 H new ATOM 0 HD22 ASN A 128 -11.215 -11.696 4.262 1.00 1.55 H new ATOM 1757 N TYR A 129 -14.561 -10.771 0.431 1.00 63.03 N ATOM 1758 CA TYR A 129 -15.736 -11.498 -0.072 1.00 43.31 C ATOM 1759 C TYR A 129 -16.178 -11.017 -1.465 1.00 51.51 C ATOM 1760 O TYR A 129 -16.894 -10.020 -1.605 1.00 65.15 O ATOM 1761 CB TYR A 129 -16.900 -11.380 0.930 1.00 33.21 C ATOM 1762 CG TYR A 129 -18.212 -11.980 0.448 1.00 5.55 C ATOM 1763 CD1 TYR A 129 -18.300 -13.318 0.080 1.00 74.44 C ATOM 1764 CD2 TYR A 129 -19.367 -11.204 0.371 1.00 41.53 C ATOM 1765 CE1 TYR A 129 -19.495 -13.862 -0.352 1.00 2.21 C ATOM 1766 CE2 TYR A 129 -20.565 -11.745 -0.060 1.00 62.11 C ATOM 1767 CZ TYR A 129 -20.624 -13.074 -0.419 1.00 65.14 C ATOM 1768 OH TYR A 129 -21.818 -13.616 -0.845 1.00 50.34 O ATOM 0 H TYR A 129 -14.765 -10.116 1.186 1.00 63.03 H new ATOM 0 HA TYR A 129 -15.447 -12.544 -0.175 1.00 43.31 H new ATOM 0 HB2 TYR A 129 -16.612 -11.869 1.861 1.00 33.21 H new ATOM 0 HB3 TYR A 129 -17.060 -10.326 1.159 1.00 33.21 H new ATOM 0 HD1 TYR A 129 -17.420 -13.942 0.133 1.00 74.44 H new ATOM 0 HD2 TYR A 129 -19.326 -10.162 0.653 1.00 41.53 H new ATOM 0 HE1 TYR A 129 -19.544 -14.903 -0.637 1.00 2.21 H new ATOM 0 HE2 TYR A 129 -21.450 -11.128 -0.115 1.00 62.11 H new ATOM 0 HH TYR A 129 -22.514 -12.926 -0.832 1.00 50.34 H new ATOM 1778 N ASN A 130 -15.752 -11.742 -2.495 1.00 73.22 N ATOM 1779 CA ASN A 130 -16.207 -11.480 -3.860 1.00 30.13 C ATOM 1780 C ASN A 130 -17.693 -11.848 -4.017 1.00 44.30 C ATOM 1781 O ASN A 130 -18.044 -12.980 -4.351 1.00 22.20 O ATOM 1782 CB ASN A 130 -15.341 -12.230 -4.885 1.00 53.41 C ATOM 1783 CG ASN A 130 -15.221 -13.721 -4.598 1.00 50.32 C ATOM 1784 OD1 ASN A 130 -15.215 -14.154 -3.449 1.00 5.21 O ATOM 1785 ND2 ASN A 130 -15.120 -14.516 -5.639 1.00 74.24 N ATOM 0 H ASN A 130 -15.093 -12.516 -2.412 1.00 73.22 H new ATOM 0 HA ASN A 130 -16.100 -10.413 -4.054 1.00 30.13 H new ATOM 0 HB2 ASN A 130 -15.766 -12.092 -5.879 1.00 53.41 H new ATOM 0 HB3 ASN A 130 -14.344 -11.789 -4.900 1.00 53.41 H new ATOM 0 HD21 ASN A 130 -15.034 -15.523 -5.505 1.00 74.24 H new ATOM 0 HD22 ASN A 130 -15.128 -14.126 -6.581 1.00 74.24 H new ATOM 1792 N GLY A 131 -18.555 -10.884 -3.725 1.00 30.00 N ATOM 1793 CA GLY A 131 -19.994 -11.103 -3.790 1.00 63.44 C ATOM 1794 C GLY A 131 -20.774 -9.847 -3.432 1.00 44.32 C ATOM 1795 O GLY A 131 -21.772 -9.515 -4.074 1.00 42.52 O ATOM 0 H GLY A 131 -18.283 -9.943 -3.441 1.00 30.00 H new ATOM 0 HA2 GLY A 131 -20.267 -11.426 -4.794 1.00 63.44 H new ATOM 0 HA3 GLY A 131 -20.270 -11.908 -3.110 1.00 63.44 H new ATOM 1799 N GLY A 132 -20.315 -9.149 -2.393 1.00 34.00 N ATOM 1800 CA GLY A 132 -20.888 -7.857 -2.047 1.00 20.21 C ATOM 1801 C GLY A 132 -20.371 -6.742 -2.954 1.00 0.32 C ATOM 1802 O GLY A 132 -19.320 -6.893 -3.579 1.00 22.41 O ATOM 0 H GLY A 132 -19.556 -9.456 -1.785 1.00 34.00 H new ATOM 0 HA2 GLY A 132 -21.974 -7.910 -2.121 1.00 20.21 H new ATOM 0 HA3 GLY A 132 -20.650 -7.621 -1.010 1.00 20.21 H new ATOM 1806 N PRO A 133 -21.078 -5.599 -3.037 1.00 44.02 N ATOM 1807 CA PRO A 133 -20.696 -4.486 -3.931 1.00 71.54 C ATOM 1808 C PRO A 133 -19.274 -3.954 -3.677 1.00 35.44 C ATOM 1809 O PRO A 133 -18.612 -3.460 -4.592 1.00 61.40 O ATOM 1810 CB PRO A 133 -21.750 -3.402 -3.631 1.00 20.33 C ATOM 1811 CG PRO A 133 -22.350 -3.794 -2.319 1.00 1.03 C ATOM 1812 CD PRO A 133 -22.304 -5.294 -2.279 1.00 5.25 C ATOM 0 HA PRO A 133 -20.676 -4.805 -4.973 1.00 71.54 H new ATOM 0 HB2 PRO A 133 -21.294 -2.413 -3.576 1.00 20.33 H new ATOM 0 HB3 PRO A 133 -22.507 -3.361 -4.414 1.00 20.33 H new ATOM 0 HG2 PRO A 133 -21.790 -3.364 -1.489 1.00 1.03 H new ATOM 0 HG3 PRO A 133 -23.375 -3.432 -2.234 1.00 1.03 H new ATOM 0 HD2 PRO A 133 -22.253 -5.671 -1.257 1.00 5.25 H new ATOM 0 HD3 PRO A 133 -23.186 -5.739 -2.739 1.00 5.25 H new ATOM 1820 N PHE A 134 -18.804 -4.067 -2.438 1.00 32.14 N ATOM 1821 CA PHE A 134 -17.453 -3.616 -2.082 1.00 24.01 C ATOM 1822 C PHE A 134 -16.723 -4.638 -1.195 1.00 2.22 C ATOM 1823 O PHE A 134 -15.568 -4.964 -1.444 1.00 51.12 O ATOM 1824 CB PHE A 134 -17.507 -2.237 -1.398 1.00 70.25 C ATOM 1825 CG PHE A 134 -18.496 -2.143 -0.256 1.00 33.52 C ATOM 1826 CD1 PHE A 134 -19.815 -1.775 -0.492 1.00 44.25 C ATOM 1827 CD2 PHE A 134 -18.111 -2.418 1.049 1.00 51.54 C ATOM 1828 CE1 PHE A 134 -20.720 -1.685 0.546 1.00 43.32 C ATOM 1829 CE2 PHE A 134 -19.014 -2.327 2.090 1.00 13.01 C ATOM 1830 CZ PHE A 134 -20.320 -1.961 1.838 1.00 33.40 C ATOM 0 H PHE A 134 -19.333 -4.465 -1.662 1.00 32.14 H new ATOM 0 HA PHE A 134 -16.882 -3.525 -3.006 1.00 24.01 H new ATOM 0 HB2 PHE A 134 -16.513 -1.992 -1.023 1.00 70.25 H new ATOM 0 HB3 PHE A 134 -17.760 -1.484 -2.145 1.00 70.25 H new ATOM 0 HD1 PHE A 134 -20.136 -1.557 -1.500 1.00 44.25 H new ATOM 0 HD2 PHE A 134 -17.091 -2.707 1.253 1.00 51.54 H new ATOM 0 HE1 PHE A 134 -21.742 -1.398 0.347 1.00 43.32 H new ATOM 0 HE2 PHE A 134 -18.698 -2.542 3.100 1.00 13.01 H new ATOM 0 HZ PHE A 134 -21.028 -1.891 2.650 1.00 33.40 H new ATOM 1840 N SER A 135 -17.405 -5.135 -0.162 1.00 43.02 N ATOM 1841 CA SER A 135 -16.815 -6.100 0.788 1.00 52.23 C ATOM 1842 C SER A 135 -15.416 -5.666 1.254 1.00 72.41 C ATOM 1843 O SER A 135 -14.415 -6.339 0.991 1.00 45.32 O ATOM 1844 CB SER A 135 -16.742 -7.507 0.180 1.00 11.43 C ATOM 1845 OG SER A 135 -16.195 -8.433 1.109 1.00 32.11 O ATOM 0 H SER A 135 -18.373 -4.888 0.045 1.00 43.02 H new ATOM 0 HA SER A 135 -17.473 -6.122 1.656 1.00 52.23 H new ATOM 0 HB2 SER A 135 -17.739 -7.831 -0.118 1.00 11.43 H new ATOM 0 HB3 SER A 135 -16.131 -7.486 -0.722 1.00 11.43 H new ATOM 0 HG SER A 135 -15.283 -8.161 1.344 1.00 32.11 H new ATOM 1851 N VAL A 136 -15.354 -4.535 1.943 1.00 34.14 N ATOM 1852 CA VAL A 136 -14.082 -3.975 2.395 1.00 31.22 C ATOM 1853 C VAL A 136 -13.684 -4.513 3.774 1.00 30.03 C ATOM 1854 O VAL A 136 -14.471 -4.477 4.717 1.00 63.43 O ATOM 1855 CB VAL A 136 -14.142 -2.429 2.448 1.00 70.01 C ATOM 1856 CG1 VAL A 136 -12.804 -1.847 2.903 1.00 11.43 C ATOM 1857 CG2 VAL A 136 -14.549 -1.867 1.086 1.00 35.23 C ATOM 0 H VAL A 136 -16.171 -3.983 2.203 1.00 34.14 H new ATOM 0 HA VAL A 136 -13.328 -4.282 1.670 1.00 31.22 H new ATOM 0 HB VAL A 136 -14.896 -2.138 3.179 1.00 70.01 H new ATOM 0 HG11 VAL A 136 -12.871 -0.759 2.932 1.00 11.43 H new ATOM 0 HG12 VAL A 136 -12.563 -2.223 3.898 1.00 11.43 H new ATOM 0 HG13 VAL A 136 -12.022 -2.143 2.204 1.00 11.43 H new ATOM 0 HG21 VAL A 136 -14.587 -0.779 1.138 1.00 35.23 H new ATOM 0 HG22 VAL A 136 -13.819 -2.169 0.335 1.00 35.23 H new ATOM 0 HG23 VAL A 136 -15.531 -2.252 0.812 1.00 35.23 H new ATOM 1867 N SER A 137 -12.461 -5.017 3.874 1.00 41.13 N ATOM 1868 CA SER A 137 -11.907 -5.497 5.146 1.00 52.55 C ATOM 1869 C SER A 137 -10.947 -4.466 5.749 1.00 4.00 C ATOM 1870 O SER A 137 -10.020 -4.000 5.086 1.00 11.15 O ATOM 1871 CB SER A 137 -11.174 -6.828 4.936 1.00 43.15 C ATOM 1872 OG SER A 137 -10.402 -7.194 6.071 1.00 64.31 O ATOM 0 H SER A 137 -11.823 -5.107 3.083 1.00 41.13 H new ATOM 0 HA SER A 137 -12.734 -5.647 5.840 1.00 52.55 H new ATOM 0 HB2 SER A 137 -11.900 -7.612 4.723 1.00 43.15 H new ATOM 0 HB3 SER A 137 -10.524 -6.750 4.065 1.00 43.15 H new ATOM 0 HG SER A 137 -9.504 -7.462 5.783 1.00 64.31 H new ATOM 1878 N GLU A 138 -11.179 -4.104 7.004 1.00 44.03 N ATOM 1879 CA GLU A 138 -10.306 -3.159 7.710 1.00 41.51 C ATOM 1880 C GLU A 138 -9.377 -3.918 8.663 1.00 62.15 C ATOM 1881 O GLU A 138 -9.739 -4.209 9.807 1.00 61.11 O ATOM 1882 CB GLU A 138 -11.127 -2.115 8.494 1.00 45.13 C ATOM 1883 CG GLU A 138 -12.385 -1.618 7.774 1.00 51.13 C ATOM 1884 CD GLU A 138 -13.634 -2.399 8.171 1.00 5.50 C ATOM 1885 OE1 GLU A 138 -13.723 -3.602 7.847 1.00 54.54 O ATOM 1886 OE2 GLU A 138 -14.520 -1.820 8.838 1.00 13.13 O ATOM 0 H GLU A 138 -11.963 -4.447 7.559 1.00 44.03 H new ATOM 0 HA GLU A 138 -9.710 -2.630 6.967 1.00 41.51 H new ATOM 0 HB2 GLU A 138 -11.419 -2.547 9.451 1.00 45.13 H new ATOM 0 HB3 GLU A 138 -10.488 -1.259 8.712 1.00 45.13 H new ATOM 0 HG2 GLU A 138 -12.535 -0.562 7.998 1.00 51.13 H new ATOM 0 HG3 GLU A 138 -12.238 -1.697 6.697 1.00 51.13 H new ATOM 1893 N ARG A 139 -8.192 -4.263 8.179 1.00 1.55 N ATOM 1894 CA ARG A 139 -7.256 -5.081 8.954 1.00 62.22 C ATOM 1895 C ARG A 139 -6.211 -4.222 9.680 1.00 12.24 C ATOM 1896 O ARG A 139 -5.484 -3.448 9.059 1.00 22.24 O ATOM 1897 CB ARG A 139 -6.559 -6.097 8.040 1.00 12.04 C ATOM 1898 CG ARG A 139 -5.535 -6.966 8.765 1.00 71.10 C ATOM 1899 CD ARG A 139 -4.872 -7.978 7.837 1.00 64.54 C ATOM 1900 NE ARG A 139 -3.821 -8.731 8.520 1.00 10.35 N ATOM 1901 CZ ARG A 139 -3.192 -9.754 8.007 1.00 1.24 C ATOM 1902 NH1 ARG A 139 -3.493 -10.195 6.824 1.00 22.24 N ATOM 1903 NH2 ARG A 139 -2.261 -10.340 8.685 1.00 40.12 N ATOM 0 H ARG A 139 -7.852 -3.992 7.256 1.00 1.55 H new ATOM 0 HA ARG A 139 -7.833 -5.611 9.712 1.00 62.22 H new ATOM 0 HB2 ARG A 139 -7.312 -6.740 7.584 1.00 12.04 H new ATOM 0 HB3 ARG A 139 -6.062 -5.564 7.229 1.00 12.04 H new ATOM 0 HG2 ARG A 139 -4.770 -6.328 9.209 1.00 71.10 H new ATOM 0 HG3 ARG A 139 -6.025 -7.494 9.584 1.00 71.10 H new ATOM 0 HD2 ARG A 139 -5.624 -8.668 7.454 1.00 64.54 H new ATOM 0 HD3 ARG A 139 -4.448 -7.460 6.977 1.00 64.54 H new ATOM 0 HE ARG A 139 -3.561 -8.437 9.462 1.00 10.35 H new ATOM 0 HH11 ARG A 139 -4.229 -9.742 6.283 1.00 22.24 H new ATOM 0 HH12 ARG A 139 -2.993 -10.995 6.436 1.00 22.24 H new ATOM 0 HH21 ARG A 139 -2.020 -10.003 9.617 1.00 40.12 H new ATOM 0 HH22 ARG A 139 -1.767 -11.139 8.288 1.00 40.12 H new ATOM 1917 N THR A 140 -6.147 -4.368 11.000 1.00 0.03 N ATOM 1918 CA THR A 140 -5.134 -3.685 11.811 1.00 31.35 C ATOM 1919 C THR A 140 -3.919 -4.598 12.015 1.00 44.33 C ATOM 1920 O THR A 140 -4.021 -5.646 12.655 1.00 71.52 O ATOM 1921 CB THR A 140 -5.702 -3.269 13.191 1.00 71.32 C ATOM 1922 OG1 THR A 140 -6.904 -2.507 13.012 1.00 65.45 O ATOM 1923 CG2 THR A 140 -4.693 -2.440 13.980 1.00 32.03 C ATOM 0 H THR A 140 -6.786 -4.955 11.536 1.00 0.03 H new ATOM 0 HA THR A 140 -4.833 -2.784 11.276 1.00 31.35 H new ATOM 0 HB THR A 140 -5.916 -4.178 13.753 1.00 71.32 H new ATOM 0 HG1 THR A 140 -7.260 -2.248 13.887 1.00 65.45 H new ATOM 0 HG21 THR A 140 -5.122 -2.164 14.943 1.00 32.03 H new ATOM 0 HG22 THR A 140 -3.788 -3.025 14.141 1.00 32.03 H new ATOM 0 HG23 THR A 140 -4.447 -1.537 13.421 1.00 32.03 H new ATOM 1931 N ILE A 141 -2.782 -4.213 11.443 1.00 1.22 N ATOM 1932 CA ILE A 141 -1.561 -5.026 11.507 1.00 14.45 C ATOM 1933 C ILE A 141 -0.549 -4.459 12.520 1.00 71.14 C ATOM 1934 O ILE A 141 -0.171 -3.292 12.441 1.00 52.05 O ATOM 1935 CB ILE A 141 -0.889 -5.118 10.112 1.00 43.50 C ATOM 1936 CG1 ILE A 141 -1.902 -5.611 9.061 1.00 54.10 C ATOM 1937 CG2 ILE A 141 0.327 -6.041 10.162 1.00 45.13 C ATOM 1938 CD1 ILE A 141 -1.339 -5.705 7.656 1.00 65.15 C ATOM 0 H ILE A 141 -2.676 -3.340 10.927 1.00 1.22 H new ATOM 0 HA ILE A 141 -1.860 -6.021 11.836 1.00 14.45 H new ATOM 0 HB ILE A 141 -0.550 -4.123 9.824 1.00 43.50 H new ATOM 0 HG12 ILE A 141 -2.271 -6.592 9.360 1.00 54.10 H new ATOM 0 HG13 ILE A 141 -2.759 -4.937 9.053 1.00 54.10 H new ATOM 0 HG21 ILE A 141 0.785 -6.093 9.174 1.00 45.13 H new ATOM 0 HG22 ILE A 141 1.051 -5.651 10.878 1.00 45.13 H new ATOM 0 HG23 ILE A 141 0.014 -7.039 10.470 1.00 45.13 H new ATOM 0 HD11 ILE A 141 -2.114 -6.059 6.976 1.00 65.15 H new ATOM 0 HD12 ILE A 141 -0.996 -4.721 7.335 1.00 65.15 H new ATOM 0 HD13 ILE A 141 -0.501 -6.402 7.646 1.00 65.15 H new ATOM 1950 N SER A 142 -0.114 -5.290 13.472 1.00 11.23 N ATOM 1951 CA SER A 142 0.879 -4.873 14.479 1.00 71.33 C ATOM 1952 C SER A 142 2.218 -4.491 13.828 1.00 25.41 C ATOM 1953 O SER A 142 2.635 -5.102 12.841 1.00 73.32 O ATOM 1954 CB SER A 142 1.110 -5.991 15.505 1.00 3.35 C ATOM 1955 OG SER A 142 -0.098 -6.348 16.163 1.00 22.02 O ATOM 0 H SER A 142 -0.430 -6.255 13.570 1.00 11.23 H new ATOM 0 HA SER A 142 0.478 -3.994 14.984 1.00 71.33 H new ATOM 0 HB2 SER A 142 1.526 -6.866 15.005 1.00 3.35 H new ATOM 0 HB3 SER A 142 1.845 -5.665 16.241 1.00 3.35 H new ATOM 0 HG SER A 142 0.080 -7.063 16.809 1.00 22.02 H new ATOM 1961 N ALA A 143 2.896 -3.495 14.402 1.00 75.12 N ATOM 1962 CA ALA A 143 4.159 -2.973 13.852 1.00 5.40 C ATOM 1963 C ALA A 143 5.190 -4.082 13.570 1.00 63.53 C ATOM 1964 O ALA A 143 5.841 -4.080 12.525 1.00 71.32 O ATOM 1965 CB ALA A 143 4.753 -1.935 14.800 1.00 41.51 C ATOM 0 H ALA A 143 2.592 -3.027 15.256 1.00 75.12 H new ATOM 0 HA ALA A 143 3.922 -2.508 12.895 1.00 5.40 H new ATOM 0 HB1 ALA A 143 5.686 -1.555 14.385 1.00 41.51 H new ATOM 0 HB2 ALA A 143 4.050 -1.112 14.925 1.00 41.51 H new ATOM 0 HB3 ALA A 143 4.948 -2.396 15.768 1.00 41.51 H new ATOM 1971 N GLY A 144 5.323 -5.032 14.498 1.00 15.22 N ATOM 1972 CA GLY A 144 6.273 -6.136 14.326 1.00 64.22 C ATOM 1973 C GLY A 144 6.077 -6.920 13.025 1.00 74.34 C ATOM 1974 O GLY A 144 6.987 -7.598 12.552 1.00 13.42 O ATOM 0 H GLY A 144 4.792 -5.061 15.368 1.00 15.22 H new ATOM 0 HA2 GLY A 144 7.287 -5.738 14.351 1.00 64.22 H new ATOM 0 HA3 GLY A 144 6.178 -6.820 15.170 1.00 64.22 H new ATOM 1978 N GLU A 145 4.874 -6.841 12.466 1.00 33.13 N ATOM 1979 CA GLU A 145 4.559 -7.471 11.178 1.00 15.43 C ATOM 1980 C GLU A 145 4.558 -6.427 10.048 1.00 40.33 C ATOM 1981 O GLU A 145 5.165 -6.619 8.993 1.00 52.34 O ATOM 1982 CB GLU A 145 3.182 -8.149 11.264 1.00 2.10 C ATOM 1983 CG GLU A 145 2.746 -8.872 9.991 1.00 70.14 C ATOM 1984 CD GLU A 145 3.587 -10.102 9.687 1.00 71.02 C ATOM 1985 OE1 GLU A 145 3.493 -11.089 10.450 1.00 20.53 O ATOM 1986 OE2 GLU A 145 4.339 -10.094 8.692 1.00 42.43 O ATOM 0 H GLU A 145 4.090 -6.342 12.886 1.00 33.13 H new ATOM 0 HA GLU A 145 5.322 -8.217 10.956 1.00 15.43 H new ATOM 0 HB2 GLU A 145 3.195 -8.865 12.086 1.00 2.10 H new ATOM 0 HB3 GLU A 145 2.435 -7.394 11.511 1.00 2.10 H new ATOM 0 HG2 GLU A 145 1.701 -9.168 10.088 1.00 70.14 H new ATOM 0 HG3 GLU A 145 2.805 -8.182 9.150 1.00 70.14 H new ATOM 1993 N ALA A 146 3.884 -5.311 10.304 1.00 13.02 N ATOM 1994 CA ALA A 146 3.693 -4.247 9.314 1.00 73.44 C ATOM 1995 C ALA A 146 5.016 -3.630 8.824 1.00 13.21 C ATOM 1996 O ALA A 146 5.179 -3.362 7.636 1.00 44.12 O ATOM 1997 CB ALA A 146 2.795 -3.164 9.903 1.00 45.35 C ATOM 0 H ALA A 146 3.451 -5.114 11.207 1.00 13.02 H new ATOM 0 HA ALA A 146 3.222 -4.699 8.441 1.00 73.44 H new ATOM 0 HB1 ALA A 146 2.651 -2.371 9.169 1.00 45.35 H new ATOM 0 HB2 ALA A 146 1.829 -3.595 10.165 1.00 45.35 H new ATOM 0 HB3 ALA A 146 3.262 -2.750 10.797 1.00 45.35 H new ATOM 2003 N SER A 147 5.960 -3.420 9.745 1.00 71.22 N ATOM 2004 CA SER A 147 7.239 -2.752 9.425 1.00 14.43 C ATOM 2005 C SER A 147 8.060 -3.506 8.366 1.00 75.31 C ATOM 2006 O SER A 147 8.986 -2.945 7.784 1.00 4.33 O ATOM 2007 CB SER A 147 8.089 -2.564 10.695 1.00 14.12 C ATOM 2008 OG SER A 147 7.456 -1.688 11.621 1.00 24.14 O ATOM 0 H SER A 147 5.869 -3.701 10.721 1.00 71.22 H new ATOM 0 HA SER A 147 6.977 -1.780 9.007 1.00 14.43 H new ATOM 0 HB2 SER A 147 8.260 -3.532 11.166 1.00 14.12 H new ATOM 0 HB3 SER A 147 9.066 -2.164 10.424 1.00 14.12 H new ATOM 0 HG SER A 147 6.804 -2.190 12.153 1.00 24.14 H new ATOM 2014 N SER A 148 7.735 -4.776 8.121 1.00 63.44 N ATOM 2015 CA SER A 148 8.440 -5.563 7.092 1.00 2.30 C ATOM 2016 C SER A 148 7.934 -5.228 5.680 1.00 23.30 C ATOM 2017 O SER A 148 8.657 -5.383 4.694 1.00 30.22 O ATOM 2018 CB SER A 148 8.276 -7.067 7.347 1.00 62.15 C ATOM 2019 OG SER A 148 8.988 -7.836 6.384 1.00 31.51 O ATOM 0 H SER A 148 6.998 -5.283 8.611 1.00 63.44 H new ATOM 0 HA SER A 148 9.496 -5.299 7.155 1.00 2.30 H new ATOM 0 HB2 SER A 148 8.635 -7.310 8.347 1.00 62.15 H new ATOM 0 HB3 SER A 148 7.219 -7.330 7.316 1.00 62.15 H new ATOM 0 HG SER A 148 8.866 -8.790 6.572 1.00 31.51 H new ATOM 2025 N TYR A 149 6.694 -4.755 5.595 1.00 52.43 N ATOM 2026 CA TYR A 149 6.057 -4.460 4.304 1.00 1.34 C ATOM 2027 C TYR A 149 6.558 -3.130 3.716 1.00 21.05 C ATOM 2028 O TYR A 149 6.898 -2.201 4.447 1.00 72.31 O ATOM 2029 CB TYR A 149 4.531 -4.427 4.467 1.00 41.04 C ATOM 2030 CG TYR A 149 3.962 -5.695 5.083 1.00 14.35 C ATOM 2031 CD1 TYR A 149 4.455 -6.947 4.725 1.00 51.21 C ATOM 2032 CD2 TYR A 149 2.934 -5.642 6.020 1.00 72.34 C ATOM 2033 CE1 TYR A 149 3.942 -8.102 5.281 1.00 4.21 C ATOM 2034 CE2 TYR A 149 2.418 -6.794 6.579 1.00 52.13 C ATOM 2035 CZ TYR A 149 2.925 -8.021 6.206 1.00 13.22 C ATOM 2036 OH TYR A 149 2.411 -9.171 6.760 1.00 52.31 O ATOM 0 H TYR A 149 6.104 -4.565 6.405 1.00 52.43 H new ATOM 0 HA TYR A 149 6.329 -5.253 3.607 1.00 1.34 H new ATOM 0 HB2 TYR A 149 4.258 -3.575 5.090 1.00 41.04 H new ATOM 0 HB3 TYR A 149 4.072 -4.268 3.491 1.00 41.04 H new ATOM 0 HD1 TYR A 149 5.252 -7.016 4.000 1.00 51.21 H new ATOM 0 HD2 TYR A 149 2.533 -4.683 6.315 1.00 72.34 H new ATOM 0 HE1 TYR A 149 4.337 -9.065 4.992 1.00 4.21 H new ATOM 0 HE2 TYR A 149 1.621 -6.735 7.305 1.00 52.13 H new ATOM 0 HH TYR A 149 3.094 -9.599 7.317 1.00 52.31 H new ATOM 2046 N ASN A 150 6.606 -3.043 2.386 1.00 51.40 N ATOM 2047 CA ASN A 150 7.088 -1.828 1.710 1.00 22.40 C ATOM 2048 C ASN A 150 5.970 -0.780 1.577 1.00 51.21 C ATOM 2049 O ASN A 150 4.974 -1.014 0.894 1.00 43.44 O ATOM 2050 CB ASN A 150 7.641 -2.174 0.319 1.00 23.14 C ATOM 2051 CG ASN A 150 8.928 -2.985 0.357 1.00 44.14 C ATOM 2052 OD1 ASN A 150 9.774 -2.863 -0.518 1.00 31.30 O ATOM 2053 ND2 ASN A 150 9.085 -3.830 1.356 1.00 51.00 N ATOM 0 H ASN A 150 6.320 -3.792 1.755 1.00 51.40 H new ATOM 0 HA ASN A 150 7.885 -1.404 2.321 1.00 22.40 H new ATOM 0 HB2 ASN A 150 6.886 -2.733 -0.234 1.00 23.14 H new ATOM 0 HB3 ASN A 150 7.820 -1.250 -0.231 1.00 23.14 H new ATOM 0 HD21 ASN A 150 9.928 -4.402 1.413 1.00 51.00 H new ATOM 0 HD22 ASN A 150 8.364 -3.912 2.073 1.00 51.00 H new ATOM 2060 N TYR A 151 6.137 0.370 2.234 1.00 43.51 N ATOM 2061 CA TYR A 151 5.155 1.461 2.155 1.00 41.04 C ATOM 2062 C TYR A 151 5.522 2.483 1.068 1.00 11.25 C ATOM 2063 O TYR A 151 6.503 3.223 1.198 1.00 33.22 O ATOM 2064 CB TYR A 151 5.026 2.177 3.509 1.00 65.02 C ATOM 2065 CG TYR A 151 4.463 1.304 4.613 1.00 64.14 C ATOM 2066 CD1 TYR A 151 5.262 0.381 5.279 1.00 23.34 C ATOM 2067 CD2 TYR A 151 3.127 1.402 4.985 1.00 4.50 C ATOM 2068 CE1 TYR A 151 4.746 -0.418 6.281 1.00 22.33 C ATOM 2069 CE2 TYR A 151 2.604 0.606 5.987 1.00 33.14 C ATOM 2070 CZ TYR A 151 3.417 -0.301 6.630 1.00 4.12 C ATOM 2071 OH TYR A 151 2.901 -1.093 7.625 1.00 1.54 O ATOM 0 H TYR A 151 6.942 0.573 2.827 1.00 43.51 H new ATOM 0 HA TYR A 151 4.199 1.009 1.891 1.00 41.04 H new ATOM 0 HB2 TYR A 151 6.008 2.541 3.812 1.00 65.02 H new ATOM 0 HB3 TYR A 151 4.386 3.051 3.388 1.00 65.02 H new ATOM 0 HD1 TYR A 151 6.303 0.287 5.008 1.00 23.34 H new ATOM 0 HD2 TYR A 151 2.487 2.112 4.483 1.00 4.50 H new ATOM 0 HE1 TYR A 151 5.380 -1.130 6.788 1.00 22.33 H new ATOM 0 HE2 TYR A 151 1.564 0.695 6.264 1.00 33.14 H new ATOM 0 HH TYR A 151 1.951 -1.260 7.451 1.00 1.54 H new ATOM 2081 N ILE A 152 4.729 2.518 0.000 1.00 71.35 N ATOM 2082 CA ILE A 152 4.913 3.498 -1.072 1.00 72.42 C ATOM 2083 C ILE A 152 4.280 4.849 -0.689 1.00 75.51 C ATOM 2084 O ILE A 152 3.060 4.958 -0.548 1.00 61.31 O ATOM 2085 CB ILE A 152 4.301 3.016 -2.423 1.00 74.34 C ATOM 2086 CG1 ILE A 152 4.949 1.692 -2.895 1.00 34.52 C ATOM 2087 CG2 ILE A 152 4.451 4.102 -3.495 1.00 0.34 C ATOM 2088 CD1 ILE A 152 4.468 0.458 -2.156 1.00 61.40 C ATOM 0 H ILE A 152 3.949 1.877 -0.148 1.00 71.35 H new ATOM 0 HA ILE A 152 5.989 3.615 -1.205 1.00 72.42 H new ATOM 0 HB ILE A 152 3.240 2.827 -2.262 1.00 74.34 H new ATOM 0 HG12 ILE A 152 4.750 1.564 -3.959 1.00 34.52 H new ATOM 0 HG13 ILE A 152 6.030 1.770 -2.780 1.00 34.52 H new ATOM 0 HG21 ILE A 152 4.019 3.750 -4.432 1.00 0.34 H new ATOM 0 HG22 ILE A 152 3.933 5.005 -3.173 1.00 0.34 H new ATOM 0 HG23 ILE A 152 5.508 4.323 -3.643 1.00 0.34 H new ATOM 0 HD11 ILE A 152 4.974 -0.423 -2.551 1.00 61.40 H new ATOM 0 HD12 ILE A 152 4.692 0.559 -1.094 1.00 61.40 H new ATOM 0 HD13 ILE A 152 3.392 0.350 -2.291 1.00 61.40 H new ATOM 2100 N HIS A 153 5.117 5.872 -0.504 1.00 5.44 N ATOM 2101 CA HIS A 153 4.638 7.220 -0.162 1.00 11.44 C ATOM 2102 C HIS A 153 4.712 8.149 -1.385 1.00 50.32 C ATOM 2103 O HIS A 153 5.704 8.147 -2.118 1.00 4.05 O ATOM 2104 CB HIS A 153 5.456 7.800 1.001 1.00 14.12 C ATOM 2105 CG HIS A 153 5.372 6.981 2.259 1.00 62.21 C ATOM 2106 ND1 HIS A 153 4.400 7.171 3.223 1.00 64.21 N ATOM 2107 CD2 HIS A 153 6.149 5.966 2.711 1.00 52.01 C ATOM 2108 CE1 HIS A 153 4.582 6.309 4.206 1.00 43.41 C ATOM 2109 NE2 HIS A 153 5.633 5.568 3.922 1.00 15.33 N ATOM 0 H HIS A 153 6.131 5.796 -0.585 1.00 5.44 H new ATOM 0 HA HIS A 153 3.596 7.145 0.149 1.00 11.44 H new ATOM 0 HB2 HIS A 153 6.500 7.879 0.697 1.00 14.12 H new ATOM 0 HB3 HIS A 153 5.108 8.811 1.211 1.00 14.12 H new ATOM 0 HD2 HIS A 153 7.012 5.548 2.213 1.00 52.01 H new ATOM 0 HE1 HIS A 153 3.972 6.226 5.093 1.00 43.41 H new ATOM 0 HE2 HIS A 153 6.005 4.819 4.506 1.00 15.33 H new ATOM 2118 N LEU A 154 3.657 8.934 -1.602 1.00 1.11 N ATOM 2119 CA LEU A 154 3.562 9.801 -2.785 1.00 71.10 C ATOM 2120 C LEU A 154 3.934 11.257 -2.460 1.00 41.23 C ATOM 2121 O LEU A 154 3.334 11.882 -1.585 1.00 5.21 O ATOM 2122 CB LEU A 154 2.137 9.754 -3.354 1.00 0.12 C ATOM 2123 CG LEU A 154 1.578 8.347 -3.632 1.00 74.14 C ATOM 2124 CD1 LEU A 154 0.168 8.436 -4.208 1.00 0.44 C ATOM 2125 CD2 LEU A 154 2.500 7.568 -4.571 1.00 10.51 C ATOM 0 H LEU A 154 2.854 8.990 -0.976 1.00 1.11 H new ATOM 0 HA LEU A 154 4.272 9.428 -3.523 1.00 71.10 H new ATOM 0 HB2 LEU A 154 1.469 10.259 -2.656 1.00 0.12 H new ATOM 0 HB3 LEU A 154 2.117 10.324 -4.283 1.00 0.12 H new ATOM 0 HG LEU A 154 1.529 7.807 -2.686 1.00 74.14 H new ATOM 0 HD11 LEU A 154 -0.211 7.432 -4.398 1.00 0.44 H new ATOM 0 HD12 LEU A 154 -0.485 8.942 -3.496 1.00 0.44 H new ATOM 0 HD13 LEU A 154 0.191 8.998 -5.142 1.00 0.44 H new ATOM 0 HD21 LEU A 154 2.083 6.577 -4.752 1.00 10.51 H new ATOM 0 HD22 LEU A 154 2.591 8.102 -5.517 1.00 10.51 H new ATOM 0 HD23 LEU A 154 3.485 7.469 -4.114 1.00 10.51 H new ATOM 2137 N ASN A 155 4.920 11.798 -3.175 1.00 74.44 N ATOM 2138 CA ASN A 155 5.321 13.199 -3.004 1.00 40.24 C ATOM 2139 C ASN A 155 4.642 14.088 -4.059 1.00 64.23 C ATOM 2140 O ASN A 155 5.252 14.475 -5.058 1.00 21.41 O ATOM 2141 CB ASN A 155 6.844 13.327 -3.100 1.00 5.33 C ATOM 2142 CG ASN A 155 7.554 12.261 -2.288 1.00 73.35 C ATOM 2143 OD1 ASN A 155 7.873 11.192 -2.795 1.00 25.23 O ATOM 2144 ND2 ASN A 155 7.796 12.530 -1.022 1.00 54.44 N ATOM 0 H ASN A 155 5.457 11.290 -3.878 1.00 74.44 H new ATOM 0 HA ASN A 155 5.002 13.533 -2.017 1.00 40.24 H new ATOM 0 HB2 ASN A 155 7.149 13.252 -4.144 1.00 5.33 H new ATOM 0 HB3 ASN A 155 7.148 14.313 -2.749 1.00 5.33 H new ATOM 0 HD21 ASN A 155 8.262 11.839 -0.434 1.00 54.44 H new ATOM 0 HD22 ASN A 155 7.518 13.429 -0.630 1.00 54.44 H new TER 2151 ASN A 155