USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1082 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 125 THR OG1 : rot 164:sc= 0.719 USER MOD Set 1.2: A 131 HIS : no HE2:sc= -0.2 K(o=0.52,f=-5.2!) USER MOD Set 2.1: A 117 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 118 GLN : amide:sc= -0.038 X(o=-0.038,f=-0.038) USER MOD Set 3.1: A 85 LYS NZ :NH3+ -142:sc= 1.39 (180deg=0.748) USER MOD Set 3.2: A 87 SER OG : rot -140:sc= 0.928 USER MOD Set 4.1: A 18 ASN : amide:sc= 0.457 K(o=0.97,f=-0.041) USER MOD Set 4.2: A 95 TYR OH : rot -78:sc= 0.509 USER MOD Set 5.1: A 17 LYS NZ :NH3+ -150:sc= 0.99 (180deg=0.000811) USER MOD Set 5.2: A 88 TYR OH : rot 180:sc= 0.868 USER MOD Set 6.1: A 3 LYS NZ :NH3+ -112:sc= 0.24 (180deg=0.151) USER MOD Set 6.2: A 77 ASN : amide:sc= 0 X(o=0.24,f=0.12) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0418 (180deg=-0.325) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.393 (180deg=-0.412) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0761 K(o=-0.076,f=-0.6) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.461 K(o=-0.46,f=-3.3!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 163:sc= -1.41! USER MOD Single : A 25 SER OG : rot -77:sc= 0.67 USER MOD Single : A 26 THR OG1 : rot 2:sc= 0.205 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0.248 (180deg=0.243) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0644) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.193 K(o=-0.19,f=-7.7!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= 0.332 K(o=0.33,f=-1.7) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -118:sc= -0.123 (180deg=-4.63!) USER MOD Single : A 89 ASN : amide:sc= 0.38 X(o=0.38,f=0) USER MOD Single : A 92 THR OG1 : rot -97:sc= 0.471 USER MOD Single : A 100 THR OG1 : rot 131:sc= 0.178 USER MOD Single : A 103 SER OG : rot 75:sc= -0.0318 USER MOD Single : A 112 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0262) USER MOD Single : A 120 SER OG : rot 150:sc= 0.715 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot -23:sc= 0.627 USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.396 19.827 -8.378 1.00 0.43 N ATOM 2 CA MET A 1 -1.827 21.117 -7.906 1.00 75.22 C ATOM 3 C MET A 1 -0.792 20.854 -6.784 1.00 43.03 C ATOM 4 O MET A 1 0.420 20.931 -7.027 1.00 40.11 O ATOM 5 CB MET A 1 -2.963 22.070 -7.433 1.00 45.41 C ATOM 6 CG MET A 1 -4.044 22.341 -8.493 1.00 0.33 C ATOM 7 SD MET A 1 -5.345 23.457 -7.917 1.00 31.25 S ATOM 8 CE MET A 1 -4.443 24.989 -7.644 1.00 70.21 C ATOM 0 H1 MET A 1 -2.407 19.812 -9.418 1.00 0.43 H new ATOM 0 H2 MET A 1 -1.812 19.041 -8.027 1.00 0.43 H new ATOM 0 H3 MET A 1 -3.367 19.724 -8.020 1.00 0.43 H new ATOM 0 HA MET A 1 -1.312 21.610 -8.730 1.00 75.22 H new ATOM 0 HB2 MET A 1 -3.436 21.642 -6.550 1.00 45.41 H new ATOM 0 HB3 MET A 1 -2.522 23.020 -7.130 1.00 45.41 H new ATOM 0 HG2 MET A 1 -3.575 22.768 -9.380 1.00 0.33 H new ATOM 0 HG3 MET A 1 -4.493 21.395 -8.794 1.00 0.33 H new ATOM 0 HE1 MET A 1 -5.149 25.812 -7.531 1.00 70.21 H new ATOM 0 HE2 MET A 1 -3.841 24.901 -6.739 1.00 70.21 H new ATOM 0 HE3 MET A 1 -3.791 25.184 -8.496 1.00 70.21 H new ATOM 20 N LYS A 2 -1.279 20.526 -5.566 1.00 2.34 N ATOM 21 CA LYS A 2 -0.437 20.097 -4.415 1.00 21.21 C ATOM 22 C LYS A 2 -1.192 19.003 -3.621 1.00 44.40 C ATOM 23 O LYS A 2 -2.075 19.312 -2.805 1.00 3.24 O ATOM 24 CB LYS A 2 -0.082 21.293 -3.479 1.00 55.03 C ATOM 25 CG LYS A 2 0.838 22.373 -4.104 1.00 53.25 C ATOM 26 CD LYS A 2 1.204 23.505 -3.118 1.00 72.10 C ATOM 27 CE LYS A 2 -0.031 24.243 -2.580 1.00 55.20 C ATOM 28 NZ LYS A 2 0.330 25.333 -1.655 1.00 12.11 N ATOM 0 H LYS A 2 -2.275 20.550 -5.348 1.00 2.34 H new ATOM 0 HA LYS A 2 0.502 19.701 -4.802 1.00 21.21 H new ATOM 0 HB2 LYS A 2 -1.008 21.770 -3.159 1.00 55.03 H new ATOM 0 HB3 LYS A 2 0.401 20.901 -2.584 1.00 55.03 H new ATOM 0 HG2 LYS A 2 1.753 21.900 -4.460 1.00 53.25 H new ATOM 0 HG3 LYS A 2 0.343 22.804 -4.974 1.00 53.25 H new ATOM 0 HD2 LYS A 2 1.765 23.086 -2.282 1.00 72.10 H new ATOM 0 HD3 LYS A 2 1.860 24.218 -3.617 1.00 72.10 H new ATOM 0 HE2 LYS A 2 -0.600 24.651 -3.415 1.00 55.20 H new ATOM 0 HE3 LYS A 2 -0.681 23.534 -2.067 1.00 55.20 H new ATOM 0 HZ1 LYS A 2 -0.534 25.802 -1.317 1.00 12.11 H new ATOM 0 HZ2 LYS A 2 0.851 24.942 -0.844 1.00 12.11 H new ATOM 0 HZ3 LYS A 2 0.929 26.024 -2.150 1.00 12.11 H new ATOM 42 N LYS A 3 -0.874 17.723 -3.897 1.00 63.15 N ATOM 43 CA LYS A 3 -1.595 16.579 -3.304 1.00 53.30 C ATOM 44 C LYS A 3 -1.115 16.288 -1.870 1.00 13.51 C ATOM 45 O LYS A 3 0.072 16.033 -1.639 1.00 11.22 O ATOM 46 CB LYS A 3 -1.464 15.308 -4.186 1.00 23.22 C ATOM 47 CG LYS A 3 -1.711 15.563 -5.696 1.00 33.04 C ATOM 48 CD LYS A 3 -2.103 14.299 -6.493 1.00 1.30 C ATOM 49 CE LYS A 3 -1.993 14.522 -8.018 1.00 12.14 C ATOM 50 NZ LYS A 3 -2.282 13.288 -8.781 1.00 63.14 N ATOM 0 H LYS A 3 -0.120 17.455 -4.529 1.00 63.15 H new ATOM 0 HA LYS A 3 -2.648 16.856 -3.258 1.00 53.30 H new ATOM 0 HB2 LYS A 3 -0.466 14.889 -4.057 1.00 23.22 H new ATOM 0 HB3 LYS A 3 -2.172 14.558 -3.833 1.00 23.22 H new ATOM 0 HG2 LYS A 3 -2.501 16.307 -5.804 1.00 33.04 H new ATOM 0 HG3 LYS A 3 -0.809 15.990 -6.134 1.00 33.04 H new ATOM 0 HD2 LYS A 3 -1.458 13.471 -6.200 1.00 1.30 H new ATOM 0 HD3 LYS A 3 -3.124 14.013 -6.241 1.00 1.30 H new ATOM 0 HE2 LYS A 3 -2.687 15.306 -8.321 1.00 12.14 H new ATOM 0 HE3 LYS A 3 -0.990 14.872 -8.262 1.00 12.14 H new ATOM 0 HZ1 LYS A 3 -1.412 12.954 -9.244 1.00 63.14 H new ATOM 0 HZ2 LYS A 3 -2.633 12.554 -8.134 1.00 63.14 H new ATOM 0 HZ3 LYS A 3 -3.004 13.487 -9.503 1.00 63.14 H new ATOM 64 N GLU A 4 -2.064 16.333 -0.922 1.00 43.53 N ATOM 65 CA GLU A 4 -1.813 16.083 0.507 1.00 30.13 C ATOM 66 C GLU A 4 -1.413 14.610 0.773 1.00 45.43 C ATOM 67 O GLU A 4 -2.093 13.677 0.330 1.00 3.52 O ATOM 68 CB GLU A 4 -3.070 16.448 1.344 1.00 62.11 C ATOM 69 CG GLU A 4 -2.917 16.174 2.853 1.00 14.42 C ATOM 70 CD GLU A 4 -4.163 16.535 3.679 1.00 73.22 C ATOM 71 OE1 GLU A 4 -4.307 17.714 4.072 1.00 54.52 O ATOM 72 OE2 GLU A 4 -4.994 15.640 3.963 1.00 32.51 O ATOM 0 H GLU A 4 -3.040 16.547 -1.128 1.00 43.53 H new ATOM 0 HA GLU A 4 -0.978 16.715 0.808 1.00 30.13 H new ATOM 0 HB2 GLU A 4 -3.298 17.504 1.198 1.00 62.11 H new ATOM 0 HB3 GLU A 4 -3.922 15.883 0.967 1.00 62.11 H new ATOM 0 HG2 GLU A 4 -2.689 15.118 3.000 1.00 14.42 H new ATOM 0 HG3 GLU A 4 -2.066 16.740 3.231 1.00 14.42 H new ATOM 79 N LYS A 5 -0.310 14.427 1.515 1.00 52.33 N ATOM 80 CA LYS A 5 0.141 13.100 1.966 1.00 54.02 C ATOM 81 C LYS A 5 -0.771 12.575 3.110 1.00 21.14 C ATOM 82 O LYS A 5 -1.097 13.313 4.048 1.00 74.32 O ATOM 83 CB LYS A 5 1.605 13.176 2.463 1.00 41.12 C ATOM 84 CG LYS A 5 2.204 11.810 2.880 1.00 24.22 C ATOM 85 CD LYS A 5 3.552 11.936 3.626 1.00 21.35 C ATOM 86 CE LYS A 5 3.418 12.657 4.988 1.00 33.44 C ATOM 87 NZ LYS A 5 4.703 12.712 5.719 1.00 33.32 N ATOM 0 H LYS A 5 0.293 15.191 1.819 1.00 52.33 H new ATOM 0 HA LYS A 5 0.082 12.412 1.123 1.00 54.02 H new ATOM 0 HB2 LYS A 5 2.223 13.606 1.675 1.00 41.12 H new ATOM 0 HB3 LYS A 5 1.654 13.856 3.313 1.00 41.12 H new ATOM 0 HG2 LYS A 5 1.491 11.288 3.518 1.00 24.22 H new ATOM 0 HG3 LYS A 5 2.345 11.196 1.990 1.00 24.22 H new ATOM 0 HD2 LYS A 5 3.968 10.941 3.786 1.00 21.35 H new ATOM 0 HD3 LYS A 5 4.259 12.480 3.000 1.00 21.35 H new ATOM 0 HE2 LYS A 5 3.050 13.670 4.826 1.00 33.44 H new ATOM 0 HE3 LYS A 5 2.676 12.142 5.599 1.00 33.44 H new ATOM 0 HZ1 LYS A 5 4.566 13.203 6.625 1.00 33.32 H new ATOM 0 HZ2 LYS A 5 5.043 11.745 5.897 1.00 33.32 H new ATOM 0 HZ3 LYS A 5 5.405 13.226 5.149 1.00 33.32 H new ATOM 101 N ILE A 6 -1.162 11.295 3.027 1.00 11.41 N ATOM 102 CA ILE A 6 -2.007 10.617 4.040 1.00 74.55 C ATOM 103 C ILE A 6 -1.382 9.231 4.389 1.00 63.03 C ATOM 104 O ILE A 6 -1.014 8.470 3.496 1.00 23.52 O ATOM 105 CB ILE A 6 -3.521 10.446 3.562 1.00 62.14 C ATOM 106 CG1 ILE A 6 -3.647 9.425 2.381 1.00 14.34 C ATOM 107 CG2 ILE A 6 -4.148 11.815 3.168 1.00 33.20 C ATOM 108 CD1 ILE A 6 -5.049 9.209 1.843 1.00 3.31 C ATOM 0 H ILE A 6 -0.901 10.689 2.249 1.00 11.41 H new ATOM 0 HA ILE A 6 -2.033 11.248 4.929 1.00 74.55 H new ATOM 0 HB ILE A 6 -4.077 10.045 4.409 1.00 62.14 H new ATOM 0 HG12 ILE A 6 -3.012 9.765 1.563 1.00 14.34 H new ATOM 0 HG13 ILE A 6 -3.253 8.464 2.712 1.00 14.34 H new ATOM 0 HG21 ILE A 6 -5.179 11.664 2.847 1.00 33.20 H new ATOM 0 HG22 ILE A 6 -4.130 12.484 4.028 1.00 33.20 H new ATOM 0 HG23 ILE A 6 -3.575 12.256 2.352 1.00 33.20 H new ATOM 0 HD11 ILE A 6 -5.019 8.484 1.030 1.00 3.31 H new ATOM 0 HD12 ILE A 6 -5.691 8.834 2.640 1.00 3.31 H new ATOM 0 HD13 ILE A 6 -5.446 10.154 1.472 1.00 3.31 H new ATOM 120 N HIS A 7 -1.170 8.947 5.686 1.00 53.53 N ATOM 121 CA HIS A 7 -0.848 7.575 6.154 1.00 11.23 C ATOM 122 C HIS A 7 -2.074 6.955 6.865 1.00 12.04 C ATOM 123 O HIS A 7 -2.578 7.503 7.852 1.00 13.11 O ATOM 124 CB HIS A 7 0.424 7.551 7.053 1.00 14.11 C ATOM 125 CG HIS A 7 0.417 8.530 8.196 1.00 54.13 C ATOM 126 ND1 HIS A 7 -0.279 8.321 9.364 1.00 11.31 N ATOM 127 CD2 HIS A 7 1.020 9.735 8.342 1.00 22.33 C ATOM 128 CE1 HIS A 7 -0.110 9.347 10.169 1.00 42.21 C ATOM 129 NE2 HIS A 7 0.670 10.217 9.573 1.00 64.14 N ATOM 0 H HIS A 7 -1.214 9.642 6.431 1.00 53.53 H new ATOM 0 HA HIS A 7 -0.615 6.962 5.283 1.00 11.23 H new ATOM 0 HB2 HIS A 7 0.546 6.546 7.457 1.00 14.11 H new ATOM 0 HB3 HIS A 7 1.295 7.751 6.429 1.00 14.11 H new ATOM 0 HD2 HIS A 7 1.658 10.224 7.621 1.00 22.33 H new ATOM 0 HE1 HIS A 7 -0.540 9.455 11.154 1.00 42.21 H new ATOM 0 HE2 HIS A 7 0.968 11.110 9.965 1.00 64.14 H new ATOM 138 N LEU A 8 -2.568 5.819 6.336 1.00 2.31 N ATOM 139 CA LEU A 8 -3.736 5.112 6.900 1.00 0.14 C ATOM 140 C LEU A 8 -3.228 3.938 7.774 1.00 4.11 C ATOM 141 O LEU A 8 -2.619 3.000 7.253 1.00 33.33 O ATOM 142 CB LEU A 8 -4.680 4.571 5.773 1.00 34.10 C ATOM 143 CG LEU A 8 -5.216 5.594 4.705 1.00 33.53 C ATOM 144 CD1 LEU A 8 -5.710 6.905 5.349 1.00 72.11 C ATOM 145 CD2 LEU A 8 -4.182 5.858 3.586 1.00 2.53 C ATOM 0 H LEU A 8 -2.172 5.367 5.511 1.00 2.31 H new ATOM 0 HA LEU A 8 -4.315 5.812 7.502 1.00 0.14 H new ATOM 0 HB2 LEU A 8 -4.148 3.782 5.242 1.00 34.10 H new ATOM 0 HB3 LEU A 8 -5.542 4.107 6.253 1.00 34.10 H new ATOM 0 HG LEU A 8 -6.083 5.128 4.236 1.00 33.53 H new ATOM 0 HD11 LEU A 8 -6.070 7.579 4.572 1.00 72.11 H new ATOM 0 HD12 LEU A 8 -6.521 6.686 6.044 1.00 72.11 H new ATOM 0 HD13 LEU A 8 -4.889 7.378 5.887 1.00 72.11 H new ATOM 0 HD21 LEU A 8 -4.594 6.570 2.871 1.00 2.53 H new ATOM 0 HD22 LEU A 8 -3.271 6.268 4.022 1.00 2.53 H new ATOM 0 HD23 LEU A 8 -3.952 4.923 3.076 1.00 2.53 H new ATOM 157 N GLU A 9 -3.497 3.999 9.097 1.00 51.15 N ATOM 158 CA GLU A 9 -2.910 3.072 10.098 1.00 64.45 C ATOM 159 C GLU A 9 -3.903 1.961 10.530 1.00 15.51 C ATOM 160 O GLU A 9 -4.967 2.238 11.087 1.00 65.04 O ATOM 161 CB GLU A 9 -2.443 3.873 11.341 1.00 5.14 C ATOM 162 CG GLU A 9 -1.802 3.020 12.456 1.00 52.33 C ATOM 163 CD GLU A 9 -1.460 3.833 13.718 1.00 0.40 C ATOM 164 OE1 GLU A 9 -0.353 4.405 13.789 1.00 45.41 O ATOM 165 OE2 GLU A 9 -2.309 3.924 14.635 1.00 73.02 O ATOM 0 H GLU A 9 -4.126 4.691 9.504 1.00 51.15 H new ATOM 0 HA GLU A 9 -2.059 2.580 9.627 1.00 64.45 H new ATOM 0 HB2 GLU A 9 -1.724 4.627 11.021 1.00 5.14 H new ATOM 0 HB3 GLU A 9 -3.299 4.405 11.756 1.00 5.14 H new ATOM 0 HG2 GLU A 9 -2.483 2.213 12.725 1.00 52.33 H new ATOM 0 HG3 GLU A 9 -0.893 2.556 12.073 1.00 52.33 H new ATOM 172 N TYR A 10 -3.514 0.696 10.308 1.00 33.13 N ATOM 173 CA TYR A 10 -4.334 -0.490 10.641 1.00 52.44 C ATOM 174 C TYR A 10 -3.550 -1.434 11.578 1.00 73.12 C ATOM 175 O TYR A 10 -2.386 -1.734 11.317 1.00 70.11 O ATOM 176 CB TYR A 10 -4.732 -1.240 9.341 1.00 3.02 C ATOM 177 CG TYR A 10 -5.383 -0.340 8.277 1.00 12.04 C ATOM 178 CD1 TYR A 10 -6.686 0.148 8.442 1.00 51.14 C ATOM 179 CD2 TYR A 10 -4.690 0.037 7.118 1.00 14.31 C ATOM 180 CE1 TYR A 10 -7.270 0.965 7.490 1.00 3.13 C ATOM 181 CE2 TYR A 10 -5.273 0.853 6.166 1.00 53.14 C ATOM 182 CZ TYR A 10 -6.564 1.319 6.358 1.00 15.21 C ATOM 183 OH TYR A 10 -7.149 2.135 5.410 1.00 21.10 O ATOM 0 H TYR A 10 -2.614 0.460 9.889 1.00 33.13 H new ATOM 0 HA TYR A 10 -5.239 -0.161 11.152 1.00 52.44 H new ATOM 0 HB2 TYR A 10 -3.843 -1.705 8.915 1.00 3.02 H new ATOM 0 HB3 TYR A 10 -5.422 -2.045 9.594 1.00 3.02 H new ATOM 0 HD1 TYR A 10 -7.244 -0.118 9.327 1.00 51.14 H new ATOM 0 HD2 TYR A 10 -3.681 -0.317 6.966 1.00 14.31 H new ATOM 0 HE1 TYR A 10 -8.278 1.326 7.633 1.00 3.13 H new ATOM 0 HE2 TYR A 10 -4.725 1.126 5.277 1.00 53.14 H new ATOM 0 HH TYR A 10 -6.518 2.289 4.676 1.00 21.10 H new ATOM 193 N LEU A 11 -4.187 -1.910 12.658 1.00 75.01 N ATOM 194 CA LEU A 11 -3.562 -2.865 13.603 1.00 33.43 C ATOM 195 C LEU A 11 -4.151 -4.282 13.396 1.00 31.43 C ATOM 196 O LEU A 11 -5.319 -4.539 13.695 1.00 32.20 O ATOM 197 CB LEU A 11 -3.675 -2.391 15.097 1.00 12.31 C ATOM 198 CG LEU A 11 -5.098 -1.976 15.636 1.00 41.45 C ATOM 199 CD1 LEU A 11 -5.183 -2.118 17.173 1.00 15.24 C ATOM 200 CD2 LEU A 11 -5.472 -0.530 15.211 1.00 23.42 C ATOM 0 H LEU A 11 -5.142 -1.650 12.905 1.00 75.01 H new ATOM 0 HA LEU A 11 -2.495 -2.903 13.384 1.00 33.43 H new ATOM 0 HB2 LEU A 11 -3.299 -3.193 15.731 1.00 12.31 H new ATOM 0 HB3 LEU A 11 -3.007 -1.540 15.229 1.00 12.31 H new ATOM 0 HG LEU A 11 -5.818 -2.660 15.186 1.00 41.45 H new ATOM 0 HD11 LEU A 11 -6.177 -1.824 17.511 1.00 15.24 H new ATOM 0 HD12 LEU A 11 -4.996 -3.155 17.454 1.00 15.24 H new ATOM 0 HD13 LEU A 11 -4.436 -1.476 17.640 1.00 15.24 H new ATOM 0 HD21 LEU A 11 -6.459 -0.280 15.601 1.00 23.42 H new ATOM 0 HD22 LEU A 11 -4.736 0.168 15.610 1.00 23.42 H new ATOM 0 HD23 LEU A 11 -5.484 -0.462 14.123 1.00 23.42 H new ATOM 212 N LEU A 12 -3.335 -5.182 12.807 1.00 54.22 N ATOM 213 CA LEU A 12 -3.700 -6.611 12.583 1.00 53.12 C ATOM 214 C LEU A 12 -2.835 -7.535 13.464 1.00 41.52 C ATOM 215 O LEU A 12 -1.617 -7.348 13.564 1.00 15.34 O ATOM 216 CB LEU A 12 -3.555 -7.020 11.079 1.00 30.30 C ATOM 217 CG LEU A 12 -4.685 -6.551 10.103 1.00 72.24 C ATOM 218 CD1 LEU A 12 -6.072 -7.030 10.587 1.00 32.13 C ATOM 219 CD2 LEU A 12 -4.649 -5.024 9.871 1.00 20.54 C ATOM 0 H LEU A 12 -2.402 -4.945 12.470 1.00 54.22 H new ATOM 0 HA LEU A 12 -4.748 -6.725 12.862 1.00 53.12 H new ATOM 0 HB2 LEU A 12 -2.606 -6.629 10.712 1.00 30.30 H new ATOM 0 HB3 LEU A 12 -3.493 -8.107 11.028 1.00 30.30 H new ATOM 0 HG LEU A 12 -4.498 -7.017 9.135 1.00 72.24 H new ATOM 0 HD11 LEU A 12 -6.838 -6.690 9.890 1.00 32.13 H new ATOM 0 HD12 LEU A 12 -6.084 -8.119 10.636 1.00 32.13 H new ATOM 0 HD13 LEU A 12 -6.274 -6.620 11.576 1.00 32.13 H new ATOM 0 HD21 LEU A 12 -5.450 -4.741 9.188 1.00 20.54 H new ATOM 0 HD22 LEU A 12 -4.784 -4.508 10.822 1.00 20.54 H new ATOM 0 HD23 LEU A 12 -3.688 -4.744 9.440 1.00 20.54 H new ATOM 231 N ASN A 13 -3.486 -8.535 14.087 1.00 74.52 N ATOM 232 CA ASN A 13 -2.820 -9.484 15.002 1.00 24.32 C ATOM 233 C ASN A 13 -3.579 -10.844 15.071 1.00 32.20 C ATOM 234 O ASN A 13 -4.639 -10.942 15.699 1.00 52.32 O ATOM 235 CB ASN A 13 -2.667 -8.853 16.418 1.00 50.23 C ATOM 236 CG ASN A 13 -3.989 -8.375 17.052 1.00 62.22 C ATOM 237 OD1 ASN A 13 -4.917 -7.932 16.376 1.00 11.23 O ATOM 238 ND2 ASN A 13 -4.089 -8.477 18.357 1.00 51.34 N ATOM 0 H ASN A 13 -4.485 -8.708 13.972 1.00 74.52 H new ATOM 0 HA ASN A 13 -1.826 -9.692 14.607 1.00 24.32 H new ATOM 0 HB2 ASN A 13 -2.205 -9.585 17.080 1.00 50.23 H new ATOM 0 HB3 ASN A 13 -1.983 -8.007 16.353 1.00 50.23 H new ATOM 0 HD21 ASN A 13 -4.946 -8.187 18.827 1.00 51.34 H new ATOM 0 HD22 ASN A 13 -3.309 -8.847 18.901 1.00 51.34 H new ATOM 245 N ALA A 14 -3.034 -11.857 14.356 1.00 2.24 N ATOM 246 CA ALA A 14 -3.469 -13.281 14.416 1.00 1.12 C ATOM 247 C ALA A 14 -2.641 -14.128 13.419 1.00 0.22 C ATOM 248 O ALA A 14 -1.592 -14.674 13.773 1.00 73.44 O ATOM 249 CB ALA A 14 -4.984 -13.456 14.146 1.00 73.12 C ATOM 0 H ALA A 14 -2.262 -11.708 13.706 1.00 2.24 H new ATOM 0 HA ALA A 14 -3.290 -13.631 15.433 1.00 1.12 H new ATOM 0 HB1 ALA A 14 -5.244 -14.513 14.202 1.00 73.12 H new ATOM 0 HB2 ALA A 14 -5.553 -12.902 14.893 1.00 73.12 H new ATOM 0 HB3 ALA A 14 -5.223 -13.076 13.153 1.00 73.12 H new ATOM 255 N THR A 15 -3.116 -14.198 12.161 1.00 22.02 N ATOM 256 CA THR A 15 -2.426 -14.881 11.041 1.00 44.50 C ATOM 257 C THR A 15 -2.113 -13.869 9.918 1.00 32.14 C ATOM 258 O THR A 15 -1.251 -14.113 9.070 1.00 64.21 O ATOM 259 CB THR A 15 -3.309 -16.038 10.467 1.00 52.33 C ATOM 260 OG1 THR A 15 -4.568 -15.503 10.020 1.00 52.41 O ATOM 261 CG2 THR A 15 -3.569 -17.150 11.506 1.00 33.51 C ATOM 0 H THR A 15 -4.003 -13.776 11.886 1.00 22.02 H new ATOM 0 HA THR A 15 -1.497 -15.304 11.422 1.00 44.50 H new ATOM 0 HB THR A 15 -2.763 -16.484 9.636 1.00 52.33 H new ATOM 0 HG1 THR A 15 -5.121 -16.227 9.659 1.00 52.41 H new ATOM 0 HG21 THR A 15 -4.186 -17.929 11.058 1.00 33.51 H new ATOM 0 HG22 THR A 15 -2.619 -17.578 11.826 1.00 33.51 H new ATOM 0 HG23 THR A 15 -4.086 -16.729 12.368 1.00 33.51 H new ATOM 269 N SER A 16 -2.851 -12.741 9.912 1.00 25.42 N ATOM 270 CA SER A 16 -2.616 -11.610 8.993 1.00 71.41 C ATOM 271 C SER A 16 -1.344 -10.829 9.409 1.00 3.43 C ATOM 272 O SER A 16 -1.408 -9.876 10.194 1.00 54.30 O ATOM 273 CB SER A 16 -3.863 -10.680 8.971 1.00 40.33 C ATOM 274 OG SER A 16 -5.035 -11.388 8.590 1.00 71.34 O ATOM 0 H SER A 16 -3.632 -12.588 10.550 1.00 25.42 H new ATOM 0 HA SER A 16 -2.455 -11.995 7.986 1.00 71.41 H new ATOM 0 HB2 SER A 16 -4.007 -10.240 9.958 1.00 40.33 H new ATOM 0 HB3 SER A 16 -3.692 -9.857 8.277 1.00 40.33 H new ATOM 0 HG SER A 16 -5.801 -10.776 8.588 1.00 71.34 H new ATOM 280 N LYS A 17 -0.177 -11.282 8.902 1.00 4.30 N ATOM 281 CA LYS A 17 1.149 -10.720 9.261 1.00 2.25 C ATOM 282 C LYS A 17 1.774 -9.928 8.078 1.00 54.12 C ATOM 283 O LYS A 17 1.057 -9.502 7.185 1.00 64.22 O ATOM 284 CB LYS A 17 2.080 -11.868 9.751 1.00 52.10 C ATOM 285 CG LYS A 17 1.531 -12.636 10.979 1.00 34.52 C ATOM 286 CD LYS A 17 2.586 -13.544 11.648 1.00 70.14 C ATOM 287 CE LYS A 17 3.730 -12.740 12.309 1.00 22.53 C ATOM 288 NZ LYS A 17 4.719 -13.613 12.994 1.00 45.44 N ATOM 0 H LYS A 17 -0.125 -12.049 8.231 1.00 4.30 H new ATOM 0 HA LYS A 17 1.023 -10.004 10.073 1.00 2.25 H new ATOM 0 HB2 LYS A 17 2.235 -12.572 8.933 1.00 52.10 H new ATOM 0 HB3 LYS A 17 3.055 -11.451 10.001 1.00 52.10 H new ATOM 0 HG2 LYS A 17 1.160 -11.919 11.712 1.00 34.52 H new ATOM 0 HG3 LYS A 17 0.681 -13.244 10.669 1.00 34.52 H new ATOM 0 HD2 LYS A 17 2.101 -14.164 12.401 1.00 70.14 H new ATOM 0 HD3 LYS A 17 3.005 -14.219 10.901 1.00 70.14 H new ATOM 0 HE2 LYS A 17 4.239 -12.147 11.549 1.00 22.53 H new ATOM 0 HE3 LYS A 17 3.308 -12.040 13.030 1.00 22.53 H new ATOM 0 HZ1 LYS A 17 5.135 -13.102 13.799 1.00 45.44 H new ATOM 0 HZ2 LYS A 17 4.244 -14.472 13.338 1.00 45.44 H new ATOM 0 HZ3 LYS A 17 5.471 -13.877 12.326 1.00 45.44 H new ATOM 302 N ASN A 18 3.115 -9.726 8.092 1.00 4.21 N ATOM 303 CA ASN A 18 3.863 -8.973 7.028 1.00 33.02 C ATOM 304 C ASN A 18 3.535 -9.445 5.574 1.00 53.22 C ATOM 305 O ASN A 18 3.614 -8.659 4.618 1.00 2.40 O ATOM 306 CB ASN A 18 5.392 -9.057 7.297 1.00 3.24 C ATOM 307 CG ASN A 18 5.921 -10.494 7.278 1.00 15.32 C ATOM 308 OD1 ASN A 18 6.329 -11.008 6.244 1.00 14.20 O ATOM 309 ND2 ASN A 18 5.906 -11.161 8.415 1.00 11.31 N ATOM 0 H ASN A 18 3.717 -10.076 8.837 1.00 4.21 H new ATOM 0 HA ASN A 18 3.529 -7.937 7.087 1.00 33.02 H new ATOM 0 HB2 ASN A 18 5.921 -8.470 6.546 1.00 3.24 H new ATOM 0 HB3 ASN A 18 5.611 -8.607 8.265 1.00 3.24 H new ATOM 0 HD21 ASN A 18 6.239 -12.125 8.445 1.00 11.31 H new ATOM 0 HD22 ASN A 18 5.562 -10.713 9.264 1.00 11.31 H new ATOM 316 N ILE A 19 3.158 -10.736 5.449 1.00 75.30 N ATOM 317 CA ILE A 19 2.852 -11.407 4.159 1.00 12.44 C ATOM 318 C ILE A 19 1.707 -10.687 3.367 1.00 44.32 C ATOM 319 O ILE A 19 1.690 -10.747 2.126 1.00 74.43 O ATOM 320 CB ILE A 19 2.514 -12.952 4.364 1.00 43.54 C ATOM 321 CG1 ILE A 19 3.724 -13.751 4.990 1.00 23.54 C ATOM 322 CG2 ILE A 19 2.065 -13.635 3.045 1.00 5.03 C ATOM 323 CD1 ILE A 19 3.918 -13.595 6.486 1.00 31.13 C ATOM 0 H ILE A 19 3.055 -11.355 6.253 1.00 75.30 H new ATOM 0 HA ILE A 19 3.757 -11.336 3.555 1.00 12.44 H new ATOM 0 HB ILE A 19 1.682 -12.979 5.067 1.00 43.54 H new ATOM 0 HG12 ILE A 19 3.588 -14.810 4.769 1.00 23.54 H new ATOM 0 HG13 ILE A 19 4.640 -13.436 4.490 1.00 23.54 H new ATOM 0 HG21 ILE A 19 1.846 -14.686 3.236 1.00 5.03 H new ATOM 0 HG22 ILE A 19 1.171 -13.141 2.666 1.00 5.03 H new ATOM 0 HG23 ILE A 19 2.863 -13.559 2.306 1.00 5.03 H new ATOM 0 HD11 ILE A 19 4.776 -14.187 6.805 1.00 31.13 H new ATOM 0 HD12 ILE A 19 4.093 -12.545 6.723 1.00 31.13 H new ATOM 0 HD13 ILE A 19 3.025 -13.940 7.007 1.00 31.13 H new ATOM 335 N LEU A 20 0.811 -9.962 4.101 1.00 45.14 N ATOM 336 CA LEU A 20 -0.343 -9.196 3.524 1.00 12.35 C ATOM 337 C LEU A 20 0.049 -8.413 2.244 1.00 54.23 C ATOM 338 O LEU A 20 -0.468 -8.671 1.149 1.00 13.53 O ATOM 339 CB LEU A 20 -0.891 -8.182 4.588 1.00 21.10 C ATOM 340 CG LEU A 20 -1.606 -8.784 5.838 1.00 20.52 C ATOM 341 CD1 LEU A 20 -1.802 -7.710 6.946 1.00 61.40 C ATOM 342 CD2 LEU A 20 -2.947 -9.451 5.447 1.00 51.45 C ATOM 0 H LEU A 20 0.868 -9.891 5.117 1.00 45.14 H new ATOM 0 HA LEU A 20 -1.108 -9.924 3.254 1.00 12.35 H new ATOM 0 HB2 LEU A 20 -0.057 -7.572 4.936 1.00 21.10 H new ATOM 0 HB3 LEU A 20 -1.590 -7.511 4.088 1.00 21.10 H new ATOM 0 HG LEU A 20 -0.962 -9.562 6.249 1.00 20.52 H new ATOM 0 HD11 LEU A 20 -2.303 -8.159 7.804 1.00 61.40 H new ATOM 0 HD12 LEU A 20 -0.830 -7.324 7.254 1.00 61.40 H new ATOM 0 HD13 LEU A 20 -2.411 -6.893 6.558 1.00 61.40 H new ATOM 0 HD21 LEU A 20 -3.423 -9.861 6.338 1.00 51.45 H new ATOM 0 HD22 LEU A 20 -3.604 -8.709 4.994 1.00 51.45 H new ATOM 0 HD23 LEU A 20 -2.760 -10.253 4.733 1.00 51.45 H new ATOM 354 N TRP A 21 0.980 -7.468 2.410 1.00 35.21 N ATOM 355 CA TRP A 21 1.480 -6.614 1.322 1.00 55.32 C ATOM 356 C TRP A 21 2.836 -7.083 0.767 1.00 20.33 C ATOM 357 O TRP A 21 3.242 -6.607 -0.278 1.00 63.11 O ATOM 358 CB TRP A 21 1.563 -5.155 1.794 1.00 34.21 C ATOM 359 CG TRP A 21 0.215 -4.542 2.128 1.00 64.14 C ATOM 360 CD1 TRP A 21 -0.429 -4.552 3.338 1.00 25.04 C ATOM 361 CD2 TRP A 21 -0.635 -3.804 1.234 1.00 74.34 C ATOM 362 NE1 TRP A 21 -1.612 -3.864 3.248 1.00 11.11 N ATOM 363 CE2 TRP A 21 -1.766 -3.404 1.968 1.00 75.42 C ATOM 364 CE3 TRP A 21 -0.545 -3.449 -0.119 1.00 64.22 C ATOM 365 CZ2 TRP A 21 -2.796 -2.658 1.400 1.00 50.41 C ATOM 366 CZ3 TRP A 21 -1.570 -2.711 -0.684 1.00 42.00 C ATOM 367 CH2 TRP A 21 -2.686 -2.324 0.075 1.00 50.51 C ATOM 0 H TRP A 21 1.414 -7.271 3.312 1.00 35.21 H new ATOM 0 HA TRP A 21 0.767 -6.691 0.501 1.00 55.32 H new ATOM 0 HB2 TRP A 21 2.203 -5.104 2.675 1.00 34.21 H new ATOM 0 HB3 TRP A 21 2.041 -4.558 1.017 1.00 34.21 H new ATOM 0 HD1 TRP A 21 -0.059 -5.032 4.232 1.00 25.04 H new ATOM 0 HE1 TRP A 21 -2.271 -3.718 4.012 1.00 11.11 H new ATOM 0 HE3 TRP A 21 0.309 -3.746 -0.710 1.00 64.22 H new ATOM 0 HZ2 TRP A 21 -3.652 -2.353 1.984 1.00 50.41 H new ATOM 0 HZ3 TRP A 21 -1.511 -2.428 -1.725 1.00 42.00 H new ATOM 0 HH2 TRP A 21 -3.473 -1.752 -0.394 1.00 50.51 H new ATOM 378 N SER A 22 3.545 -8.007 1.464 1.00 73.55 N ATOM 379 CA SER A 22 4.907 -8.490 1.027 1.00 33.53 C ATOM 380 C SER A 22 4.903 -9.032 -0.428 1.00 70.23 C ATOM 381 O SER A 22 5.920 -8.998 -1.128 1.00 44.41 O ATOM 382 CB SER A 22 5.425 -9.610 1.967 1.00 33.13 C ATOM 383 OG SER A 22 4.785 -10.859 1.715 1.00 52.13 O ATOM 0 H SER A 22 3.211 -8.438 2.326 1.00 73.55 H new ATOM 0 HA SER A 22 5.566 -7.623 1.075 1.00 33.53 H new ATOM 0 HB2 SER A 22 6.502 -9.722 1.838 1.00 33.13 H new ATOM 0 HB3 SER A 22 5.257 -9.319 3.004 1.00 33.13 H new ATOM 0 HG SER A 22 5.310 -11.582 2.117 1.00 52.13 H new ATOM 389 N ALA A 23 3.722 -9.514 -0.849 1.00 33.31 N ATOM 390 CA ALA A 23 3.468 -10.083 -2.187 1.00 60.33 C ATOM 391 C ALA A 23 3.728 -9.076 -3.352 1.00 11.14 C ATOM 392 O ALA A 23 4.175 -9.477 -4.429 1.00 0.52 O ATOM 393 CB ALA A 23 2.017 -10.583 -2.223 1.00 71.41 C ATOM 0 H ALA A 23 2.894 -9.520 -0.253 1.00 33.31 H new ATOM 0 HA ALA A 23 4.172 -10.900 -2.346 1.00 60.33 H new ATOM 0 HB1 ALA A 23 1.803 -11.009 -3.203 1.00 71.41 H new ATOM 0 HB2 ALA A 23 1.876 -11.346 -1.457 1.00 71.41 H new ATOM 0 HB3 ALA A 23 1.340 -9.750 -2.034 1.00 71.41 H new ATOM 399 N ILE A 24 3.483 -7.768 -3.099 1.00 71.31 N ATOM 400 CA ILE A 24 3.532 -6.702 -4.148 1.00 24.31 C ATOM 401 C ILE A 24 4.947 -6.505 -4.752 1.00 34.11 C ATOM 402 O ILE A 24 5.083 -6.065 -5.900 1.00 40.21 O ATOM 403 CB ILE A 24 2.992 -5.319 -3.597 1.00 21.53 C ATOM 404 CG1 ILE A 24 3.955 -4.715 -2.514 1.00 43.44 C ATOM 405 CG2 ILE A 24 1.548 -5.477 -3.053 1.00 50.33 C ATOM 406 CD1 ILE A 24 3.398 -3.558 -1.698 1.00 31.31 C ATOM 0 H ILE A 24 3.247 -7.416 -2.171 1.00 71.31 H new ATOM 0 HA ILE A 24 2.879 -7.051 -4.948 1.00 24.31 H new ATOM 0 HB ILE A 24 2.964 -4.612 -4.426 1.00 21.53 H new ATOM 0 HG12 ILE A 24 4.244 -5.512 -1.828 1.00 43.44 H new ATOM 0 HG13 ILE A 24 4.864 -4.378 -3.012 1.00 43.44 H new ATOM 0 HG21 ILE A 24 1.193 -4.517 -2.679 1.00 50.33 H new ATOM 0 HG22 ILE A 24 0.893 -5.819 -3.854 1.00 50.33 H new ATOM 0 HG23 ILE A 24 1.542 -6.207 -2.243 1.00 50.33 H new ATOM 0 HD11 ILE A 24 4.149 -3.222 -0.983 1.00 31.31 H new ATOM 0 HD12 ILE A 24 3.138 -2.735 -2.364 1.00 31.31 H new ATOM 0 HD13 ILE A 24 2.508 -3.886 -1.162 1.00 31.31 H new ATOM 418 N SER A 25 5.984 -6.848 -3.966 1.00 60.45 N ATOM 419 CA SER A 25 7.403 -6.680 -4.366 1.00 3.50 C ATOM 420 C SER A 25 7.814 -7.691 -5.463 1.00 62.14 C ATOM 421 O SER A 25 8.623 -7.377 -6.342 1.00 3.21 O ATOM 422 CB SER A 25 8.311 -6.843 -3.125 1.00 70.52 C ATOM 423 OG SER A 25 8.276 -8.173 -2.628 1.00 0.22 O ATOM 0 H SER A 25 5.867 -7.249 -3.036 1.00 60.45 H new ATOM 0 HA SER A 25 7.522 -5.680 -4.783 1.00 3.50 H new ATOM 0 HB2 SER A 25 9.336 -6.577 -3.385 1.00 70.52 H new ATOM 0 HB3 SER A 25 7.990 -6.153 -2.345 1.00 70.52 H new ATOM 0 HG SER A 25 7.443 -8.315 -2.131 1.00 0.22 H new ATOM 429 N THR A 26 7.263 -8.919 -5.379 1.00 70.41 N ATOM 430 CA THR A 26 7.487 -9.977 -6.390 1.00 71.12 C ATOM 431 C THR A 26 6.411 -9.939 -7.497 1.00 23.51 C ATOM 432 O THR A 26 5.256 -9.603 -7.213 1.00 42.20 O ATOM 433 CB THR A 26 7.480 -11.411 -5.755 1.00 65.33 C ATOM 434 OG1 THR A 26 6.265 -11.634 -5.007 1.00 71.41 O ATOM 435 CG2 THR A 26 8.701 -11.635 -4.852 1.00 2.45 C ATOM 0 H THR A 26 6.653 -9.206 -4.613 1.00 70.41 H new ATOM 0 HA THR A 26 8.469 -9.775 -6.817 1.00 71.12 H new ATOM 0 HB THR A 26 7.528 -12.128 -6.574 1.00 65.33 H new ATOM 0 HG1 THR A 26 5.684 -10.849 -5.086 1.00 71.41 H new ATOM 0 HG21 THR A 26 8.662 -12.639 -4.430 1.00 2.45 H new ATOM 0 HG22 THR A 26 9.613 -11.523 -5.439 1.00 2.45 H new ATOM 0 HG23 THR A 26 8.696 -10.902 -4.045 1.00 2.45 H new ATOM 443 N PRO A 27 6.778 -10.286 -8.777 1.00 22.35 N ATOM 444 CA PRO A 27 5.803 -10.446 -9.886 1.00 44.31 C ATOM 445 C PRO A 27 4.654 -11.440 -9.546 1.00 71.33 C ATOM 446 O PRO A 27 3.499 -11.036 -9.452 1.00 34.23 O ATOM 447 CB PRO A 27 6.677 -10.948 -11.082 1.00 0.03 C ATOM 448 CG PRO A 27 7.972 -11.387 -10.457 1.00 14.20 C ATOM 449 CD PRO A 27 8.168 -10.494 -9.263 1.00 25.22 C ATOM 0 HA PRO A 27 5.281 -9.515 -10.105 1.00 44.31 H new ATOM 0 HB2 PRO A 27 6.193 -11.771 -11.607 1.00 0.03 H new ATOM 0 HB3 PRO A 27 6.839 -10.156 -11.813 1.00 0.03 H new ATOM 0 HG2 PRO A 27 7.928 -12.435 -10.160 1.00 14.20 H new ATOM 0 HG3 PRO A 27 8.799 -11.289 -11.160 1.00 14.20 H new ATOM 0 HD2 PRO A 27 8.796 -10.963 -8.505 1.00 25.22 H new ATOM 0 HD3 PRO A 27 8.647 -9.553 -9.535 1.00 25.22 H new ATOM 457 N THR A 28 4.994 -12.730 -9.315 1.00 53.43 N ATOM 458 CA THR A 28 3.990 -13.808 -9.057 1.00 35.43 C ATOM 459 C THR A 28 3.136 -13.556 -7.787 1.00 61.13 C ATOM 460 O THR A 28 1.963 -13.957 -7.724 1.00 54.01 O ATOM 461 CB THR A 28 4.678 -15.204 -8.935 1.00 52.20 C ATOM 462 OG1 THR A 28 5.582 -15.209 -7.813 1.00 44.30 O ATOM 463 CG2 THR A 28 5.448 -15.575 -10.220 1.00 34.54 C ATOM 0 H THR A 28 5.960 -13.058 -9.301 1.00 53.43 H new ATOM 0 HA THR A 28 3.322 -13.795 -9.918 1.00 35.43 H new ATOM 0 HB THR A 28 3.895 -15.947 -8.784 1.00 52.20 H new ATOM 0 HG1 THR A 28 6.009 -16.088 -7.741 1.00 44.30 H new ATOM 0 HG21 THR A 28 5.913 -16.553 -10.096 1.00 34.54 H new ATOM 0 HG22 THR A 28 4.757 -15.606 -11.062 1.00 34.54 H new ATOM 0 HG23 THR A 28 6.219 -14.828 -10.411 1.00 34.54 H new ATOM 471 N GLY A 29 3.740 -12.890 -6.787 1.00 53.31 N ATOM 472 CA GLY A 29 3.028 -12.480 -5.568 1.00 64.14 C ATOM 473 C GLY A 29 1.999 -11.371 -5.810 1.00 55.14 C ATOM 474 O GLY A 29 0.920 -11.375 -5.222 1.00 31.45 O ATOM 0 H GLY A 29 4.725 -12.624 -6.802 1.00 53.31 H new ATOM 0 HA2 GLY A 29 2.524 -13.347 -5.141 1.00 64.14 H new ATOM 0 HA3 GLY A 29 3.753 -12.138 -4.830 1.00 64.14 H new ATOM 478 N LEU A 30 2.350 -10.407 -6.672 1.00 33.35 N ATOM 479 CA LEU A 30 1.439 -9.312 -7.070 1.00 10.25 C ATOM 480 C LEU A 30 0.278 -9.860 -7.943 1.00 60.12 C ATOM 481 O LEU A 30 -0.871 -9.468 -7.772 1.00 32.33 O ATOM 482 CB LEU A 30 2.237 -8.223 -7.830 1.00 34.42 C ATOM 483 CG LEU A 30 1.514 -6.868 -8.084 1.00 33.41 C ATOM 484 CD1 LEU A 30 1.029 -6.217 -6.773 1.00 72.52 C ATOM 485 CD2 LEU A 30 2.424 -5.907 -8.876 1.00 1.04 C ATOM 0 H LEU A 30 3.268 -10.359 -7.114 1.00 33.35 H new ATOM 0 HA LEU A 30 1.002 -8.867 -6.176 1.00 10.25 H new ATOM 0 HB2 LEU A 30 3.151 -8.020 -7.271 1.00 34.42 H new ATOM 0 HB3 LEU A 30 2.537 -8.633 -8.794 1.00 34.42 H new ATOM 0 HG LEU A 30 0.628 -7.077 -8.683 1.00 33.41 H new ATOM 0 HD11 LEU A 30 0.531 -5.274 -6.998 1.00 72.52 H new ATOM 0 HD12 LEU A 30 0.330 -6.886 -6.271 1.00 72.52 H new ATOM 0 HD13 LEU A 30 1.883 -6.030 -6.122 1.00 72.52 H new ATOM 0 HD21 LEU A 30 1.901 -4.966 -9.043 1.00 1.04 H new ATOM 0 HD22 LEU A 30 3.336 -5.719 -8.309 1.00 1.04 H new ATOM 0 HD23 LEU A 30 2.679 -6.356 -9.836 1.00 1.04 H new ATOM 497 N GLU A 31 0.606 -10.819 -8.840 1.00 31.13 N ATOM 498 CA GLU A 31 -0.377 -11.513 -9.726 1.00 73.43 C ATOM 499 C GLU A 31 -1.458 -12.292 -8.929 1.00 13.15 C ATOM 500 O GLU A 31 -2.517 -12.620 -9.468 1.00 54.12 O ATOM 501 CB GLU A 31 0.366 -12.482 -10.691 1.00 21.04 C ATOM 502 CG GLU A 31 1.298 -11.779 -11.687 1.00 53.11 C ATOM 503 CD GLU A 31 2.109 -12.739 -12.578 1.00 12.34 C ATOM 504 OE1 GLU A 31 1.532 -13.302 -13.526 1.00 63.45 O ATOM 505 OE2 GLU A 31 3.331 -12.912 -12.357 1.00 65.34 O ATOM 0 H GLU A 31 1.565 -11.140 -8.975 1.00 31.13 H new ATOM 0 HA GLU A 31 -0.892 -10.739 -10.296 1.00 73.43 H new ATOM 0 HB2 GLU A 31 0.949 -13.189 -10.101 1.00 21.04 H new ATOM 0 HB3 GLU A 31 -0.372 -13.061 -11.246 1.00 21.04 H new ATOM 0 HG2 GLU A 31 0.703 -11.125 -12.324 1.00 53.11 H new ATOM 0 HG3 GLU A 31 1.989 -11.143 -11.134 1.00 53.11 H new ATOM 512 N ASP A 32 -1.173 -12.577 -7.650 1.00 63.42 N ATOM 513 CA ASP A 32 -2.106 -13.262 -6.730 1.00 20.33 C ATOM 514 C ASP A 32 -3.423 -12.449 -6.514 1.00 72.32 C ATOM 515 O ASP A 32 -4.493 -13.034 -6.296 1.00 34.23 O ATOM 516 CB ASP A 32 -1.374 -13.494 -5.380 1.00 43.22 C ATOM 517 CG ASP A 32 -2.151 -14.384 -4.398 1.00 71.10 C ATOM 518 OD1 ASP A 32 -1.974 -15.618 -4.450 1.00 33.43 O ATOM 519 OD2 ASP A 32 -2.930 -13.857 -3.570 1.00 11.23 O ATOM 0 H ASP A 32 -0.281 -12.338 -7.217 1.00 63.42 H new ATOM 0 HA ASP A 32 -2.402 -14.214 -7.170 1.00 20.33 H new ATOM 0 HB2 ASP A 32 -0.403 -13.948 -5.577 1.00 43.22 H new ATOM 0 HB3 ASP A 32 -1.185 -12.529 -4.910 1.00 43.22 H new ATOM 524 N TRP A 33 -3.333 -11.100 -6.603 1.00 45.51 N ATOM 525 CA TRP A 33 -4.462 -10.191 -6.264 1.00 62.42 C ATOM 526 C TRP A 33 -4.387 -8.810 -6.978 1.00 2.43 C ATOM 527 O TRP A 33 -5.129 -7.887 -6.620 1.00 63.44 O ATOM 528 CB TRP A 33 -4.532 -10.018 -4.719 1.00 12.21 C ATOM 529 CG TRP A 33 -3.290 -9.426 -4.067 1.00 44.13 C ATOM 530 CD1 TRP A 33 -2.008 -9.919 -4.105 1.00 4.41 C ATOM 531 CD2 TRP A 33 -3.234 -8.261 -3.233 1.00 11.25 C ATOM 532 NE1 TRP A 33 -1.173 -9.127 -3.367 1.00 71.43 N ATOM 533 CE2 TRP A 33 -1.899 -8.106 -2.815 1.00 20.02 C ATOM 534 CE3 TRP A 33 -4.189 -7.334 -2.806 1.00 44.02 C ATOM 535 CZ2 TRP A 33 -1.498 -7.061 -1.990 1.00 61.52 C ATOM 536 CZ3 TRP A 33 -3.789 -6.300 -1.985 1.00 64.23 C ATOM 537 CH2 TRP A 33 -2.454 -6.171 -1.582 1.00 10.53 C ATOM 0 H TRP A 33 -2.490 -10.614 -6.907 1.00 45.51 H new ATOM 0 HA TRP A 33 -5.376 -10.657 -6.632 1.00 62.42 H new ATOM 0 HB2 TRP A 33 -5.384 -9.381 -4.481 1.00 12.21 H new ATOM 0 HB3 TRP A 33 -4.727 -10.992 -4.271 1.00 12.21 H new ATOM 0 HD1 TRP A 33 -1.703 -10.806 -4.641 1.00 4.41 H new ATOM 0 HE1 TRP A 33 -0.171 -9.273 -3.247 1.00 71.43 H new ATOM 0 HE3 TRP A 33 -5.220 -7.425 -3.113 1.00 44.02 H new ATOM 0 HZ2 TRP A 33 -0.468 -6.955 -1.682 1.00 61.52 H new ATOM 0 HZ3 TRP A 33 -4.518 -5.578 -1.647 1.00 64.23 H new ATOM 0 HH2 TRP A 33 -2.173 -5.352 -0.936 1.00 10.53 H new ATOM 548 N PHE A 34 -3.526 -8.684 -8.009 1.00 13.01 N ATOM 549 CA PHE A 34 -3.369 -7.426 -8.794 1.00 34.54 C ATOM 550 C PHE A 34 -3.033 -7.751 -10.267 1.00 14.13 C ATOM 551 O PHE A 34 -2.087 -8.504 -10.530 1.00 1.45 O ATOM 552 CB PHE A 34 -2.247 -6.544 -8.185 1.00 14.04 C ATOM 553 CG PHE A 34 -2.178 -5.111 -8.741 1.00 63.13 C ATOM 554 CD1 PHE A 34 -3.039 -4.118 -8.266 1.00 31.12 C ATOM 555 CD2 PHE A 34 -1.252 -4.752 -9.732 1.00 60.05 C ATOM 556 CE1 PHE A 34 -2.980 -2.826 -8.764 1.00 71.12 C ATOM 557 CE2 PHE A 34 -1.199 -3.460 -10.225 1.00 20.43 C ATOM 558 CZ PHE A 34 -2.059 -2.497 -9.741 1.00 34.12 C ATOM 0 H PHE A 34 -2.920 -9.442 -8.325 1.00 13.01 H new ATOM 0 HA PHE A 34 -4.311 -6.879 -8.755 1.00 34.54 H new ATOM 0 HB2 PHE A 34 -2.390 -6.493 -7.106 1.00 14.04 H new ATOM 0 HB3 PHE A 34 -1.287 -7.032 -8.357 1.00 14.04 H new ATOM 0 HD1 PHE A 34 -3.761 -4.361 -7.500 1.00 31.12 H new ATOM 0 HD2 PHE A 34 -0.570 -5.496 -10.116 1.00 60.05 H new ATOM 0 HE1 PHE A 34 -3.656 -2.073 -8.387 1.00 71.12 H new ATOM 0 HE2 PHE A 34 -0.482 -3.205 -10.991 1.00 20.43 H new ATOM 0 HZ PHE A 34 -2.013 -1.488 -10.124 1.00 34.12 H new ATOM 568 N ALA A 35 -3.819 -7.176 -11.211 1.00 53.05 N ATOM 569 CA ALA A 35 -3.650 -7.354 -12.684 1.00 20.20 C ATOM 570 C ALA A 35 -3.812 -8.832 -13.145 1.00 4.33 C ATOM 571 O ALA A 35 -3.946 -9.753 -12.328 1.00 34.30 O ATOM 572 CB ALA A 35 -2.321 -6.734 -13.176 1.00 34.11 C ATOM 0 H ALA A 35 -4.601 -6.566 -10.972 1.00 53.05 H new ATOM 0 HA ALA A 35 -4.466 -6.808 -13.157 1.00 20.20 H new ATOM 0 HB1 ALA A 35 -2.228 -6.880 -14.252 1.00 34.11 H new ATOM 0 HB2 ALA A 35 -2.313 -5.667 -12.953 1.00 34.11 H new ATOM 0 HB3 ALA A 35 -1.485 -7.217 -12.670 1.00 34.11 H new ATOM 578 N ASP A 36 -3.843 -9.040 -14.471 1.00 74.04 N ATOM 579 CA ASP A 36 -3.982 -10.391 -15.071 1.00 21.21 C ATOM 580 C ASP A 36 -2.616 -11.108 -15.145 1.00 4.41 C ATOM 581 O ASP A 36 -2.523 -12.317 -14.906 1.00 4.41 O ATOM 582 CB ASP A 36 -4.625 -10.280 -16.469 1.00 55.24 C ATOM 583 CG ASP A 36 -6.028 -9.652 -16.400 1.00 22.51 C ATOM 584 OD1 ASP A 36 -6.996 -10.362 -16.060 1.00 4.12 O ATOM 585 OD2 ASP A 36 -6.164 -8.440 -16.645 1.00 65.40 O ATOM 0 H ASP A 36 -3.774 -8.289 -15.158 1.00 74.04 H new ATOM 0 HA ASP A 36 -4.632 -10.991 -14.434 1.00 21.21 H new ATOM 0 HB2 ASP A 36 -3.988 -9.677 -17.116 1.00 55.24 H new ATOM 0 HB3 ASP A 36 -4.691 -11.270 -16.919 1.00 55.24 H new ATOM 590 N LYS A 37 -1.564 -10.340 -15.465 1.00 64.14 N ATOM 591 CA LYS A 37 -0.175 -10.832 -15.490 1.00 75.00 C ATOM 592 C LYS A 37 0.773 -9.630 -15.342 1.00 13.12 C ATOM 593 O LYS A 37 0.650 -8.670 -16.079 1.00 70.43 O ATOM 594 CB LYS A 37 0.097 -11.616 -16.823 1.00 60.04 C ATOM 595 CG LYS A 37 1.342 -12.542 -16.818 1.00 52.33 C ATOM 596 CD LYS A 37 2.690 -11.797 -17.007 1.00 63.44 C ATOM 597 CE LYS A 37 3.909 -12.680 -16.688 1.00 65.51 C ATOM 598 NZ LYS A 37 3.950 -13.056 -15.252 1.00 32.15 N ATOM 0 H LYS A 37 -1.651 -9.355 -15.715 1.00 64.14 H new ATOM 0 HA LYS A 37 -0.004 -11.523 -14.665 1.00 75.00 H new ATOM 0 HB2 LYS A 37 -0.781 -12.220 -17.053 1.00 60.04 H new ATOM 0 HB3 LYS A 37 0.208 -10.893 -17.632 1.00 60.04 H new ATOM 0 HG2 LYS A 37 1.371 -13.088 -15.875 1.00 52.33 H new ATOM 0 HG3 LYS A 37 1.234 -13.281 -17.612 1.00 52.33 H new ATOM 0 HD2 LYS A 37 2.763 -11.443 -18.035 1.00 63.44 H new ATOM 0 HD3 LYS A 37 2.707 -10.917 -16.364 1.00 63.44 H new ATOM 0 HE2 LYS A 37 3.876 -13.581 -17.300 1.00 65.51 H new ATOM 0 HE3 LYS A 37 4.823 -12.148 -16.952 1.00 65.51 H new ATOM 0 HZ1 LYS A 37 4.765 -13.678 -15.079 1.00 32.15 H new ATOM 0 HZ2 LYS A 37 4.040 -12.198 -14.671 1.00 32.15 H new ATOM 0 HZ3 LYS A 37 3.073 -13.555 -14.999 1.00 32.15 H new ATOM 612 N VAL A 38 1.720 -9.685 -14.390 1.00 4.43 N ATOM 613 CA VAL A 38 2.737 -8.618 -14.214 1.00 73.33 C ATOM 614 C VAL A 38 4.161 -9.196 -14.432 1.00 43.15 C ATOM 615 O VAL A 38 4.495 -10.287 -13.952 1.00 23.33 O ATOM 616 CB VAL A 38 2.624 -7.872 -12.812 1.00 40.35 C ATOM 617 CG1 VAL A 38 1.167 -7.463 -12.496 1.00 12.22 C ATOM 618 CG2 VAL A 38 3.223 -8.675 -11.643 1.00 60.44 C ATOM 0 H VAL A 38 1.808 -10.455 -13.727 1.00 4.43 H new ATOM 0 HA VAL A 38 2.540 -7.859 -14.971 1.00 73.33 H new ATOM 0 HB VAL A 38 3.225 -6.968 -12.916 1.00 40.35 H new ATOM 0 HG11 VAL A 38 1.132 -6.957 -11.531 1.00 12.22 H new ATOM 0 HG12 VAL A 38 0.801 -6.790 -13.272 1.00 12.22 H new ATOM 0 HG13 VAL A 38 0.539 -8.353 -12.462 1.00 12.22 H new ATOM 0 HG21 VAL A 38 3.112 -8.109 -10.718 1.00 60.44 H new ATOM 0 HG22 VAL A 38 2.701 -9.627 -11.550 1.00 60.44 H new ATOM 0 HG23 VAL A 38 4.281 -8.858 -11.832 1.00 60.44 H new ATOM 628 N VAL A 39 4.956 -8.498 -15.250 1.00 70.14 N ATOM 629 CA VAL A 39 6.381 -8.819 -15.487 1.00 50.54 C ATOM 630 C VAL A 39 7.284 -7.861 -14.669 1.00 31.41 C ATOM 631 O VAL A 39 7.019 -6.666 -14.618 1.00 73.40 O ATOM 632 CB VAL A 39 6.722 -8.697 -17.024 1.00 52.21 C ATOM 633 CG1 VAL A 39 8.180 -9.143 -17.330 1.00 1.20 C ATOM 634 CG2 VAL A 39 5.705 -9.487 -17.887 1.00 61.03 C ATOM 0 H VAL A 39 4.632 -7.685 -15.774 1.00 70.14 H new ATOM 0 HA VAL A 39 6.566 -9.844 -15.166 1.00 50.54 H new ATOM 0 HB VAL A 39 6.643 -7.643 -17.289 1.00 52.21 H new ATOM 0 HG11 VAL A 39 8.374 -9.044 -18.398 1.00 1.20 H new ATOM 0 HG12 VAL A 39 8.877 -8.515 -16.775 1.00 1.20 H new ATOM 0 HG13 VAL A 39 8.312 -10.183 -17.032 1.00 1.20 H new ATOM 0 HG21 VAL A 39 5.965 -9.385 -18.941 1.00 61.03 H new ATOM 0 HG22 VAL A 39 5.731 -10.540 -17.607 1.00 61.03 H new ATOM 0 HG23 VAL A 39 4.703 -9.092 -17.721 1.00 61.03 H new ATOM 644 N SER A 40 8.343 -8.390 -14.032 1.00 62.24 N ATOM 645 CA SER A 40 9.311 -7.572 -13.251 1.00 51.44 C ATOM 646 C SER A 40 10.767 -7.890 -13.657 1.00 24.42 C ATOM 647 O SER A 40 11.136 -9.058 -13.817 1.00 61.41 O ATOM 648 CB SER A 40 9.117 -7.812 -11.740 1.00 33.12 C ATOM 649 OG SER A 40 10.060 -7.085 -10.960 1.00 52.13 O ATOM 0 H SER A 40 8.558 -9.387 -14.038 1.00 62.24 H new ATOM 0 HA SER A 40 9.119 -6.522 -13.473 1.00 51.44 H new ATOM 0 HB2 SER A 40 8.107 -7.520 -11.453 1.00 33.12 H new ATOM 0 HB3 SER A 40 9.214 -8.877 -11.526 1.00 33.12 H new ATOM 0 HG SER A 40 9.903 -7.262 -10.009 1.00 52.13 H new ATOM 655 N ASP A 41 11.585 -6.834 -13.823 1.00 13.14 N ATOM 656 CA ASP A 41 13.005 -6.955 -14.238 1.00 74.53 C ATOM 657 C ASP A 41 13.954 -6.861 -13.017 1.00 11.51 C ATOM 658 O ASP A 41 14.717 -7.792 -12.733 1.00 71.52 O ATOM 659 CB ASP A 41 13.341 -5.843 -15.257 1.00 13.54 C ATOM 660 CG ASP A 41 12.346 -5.802 -16.424 1.00 22.23 C ATOM 661 OD1 ASP A 41 12.545 -6.535 -17.415 1.00 42.02 O ATOM 662 OD2 ASP A 41 11.357 -5.041 -16.343 1.00 2.35 O ATOM 0 H ASP A 41 11.285 -5.870 -13.674 1.00 13.14 H new ATOM 0 HA ASP A 41 13.149 -7.931 -14.701 1.00 74.53 H new ATOM 0 HB2 ASP A 41 13.343 -4.878 -14.750 1.00 13.54 H new ATOM 0 HB3 ASP A 41 14.347 -6.001 -15.646 1.00 13.54 H new ATOM 667 N ASP A 42 13.890 -5.719 -12.307 1.00 3.50 N ATOM 668 CA ASP A 42 14.744 -5.430 -11.131 1.00 63.13 C ATOM 669 C ASP A 42 14.062 -4.363 -10.235 1.00 14.12 C ATOM 670 O ASP A 42 13.598 -4.657 -9.128 1.00 2.23 O ATOM 671 CB ASP A 42 16.147 -4.947 -11.619 1.00 22.13 C ATOM 672 CG ASP A 42 17.128 -4.597 -10.485 1.00 50.20 C ATOM 673 OD1 ASP A 42 17.823 -5.501 -9.979 1.00 63.14 O ATOM 674 OD2 ASP A 42 17.208 -3.409 -10.095 1.00 50.45 O ATOM 0 H ASP A 42 13.242 -4.964 -12.531 1.00 3.50 H new ATOM 0 HA ASP A 42 14.877 -6.333 -10.536 1.00 63.13 H new ATOM 0 HB2 ASP A 42 16.591 -5.726 -12.239 1.00 22.13 H new ATOM 0 HB3 ASP A 42 16.016 -4.070 -12.253 1.00 22.13 H new ATOM 679 N LYS A 43 14.008 -3.120 -10.747 1.00 15.32 N ATOM 680 CA LYS A 43 13.397 -1.956 -10.061 1.00 34.51 C ATOM 681 C LYS A 43 12.236 -1.364 -10.900 1.00 51.32 C ATOM 682 O LYS A 43 11.913 -0.183 -10.784 1.00 35.14 O ATOM 683 CB LYS A 43 14.491 -0.885 -9.764 1.00 20.21 C ATOM 684 CG LYS A 43 15.382 -0.511 -10.974 1.00 34.22 C ATOM 685 CD LYS A 43 16.361 0.647 -10.662 1.00 5.41 C ATOM 686 CE LYS A 43 17.392 0.877 -11.788 1.00 54.12 C ATOM 687 NZ LYS A 43 18.361 -0.249 -11.898 1.00 32.34 N ATOM 0 H LYS A 43 14.392 -2.888 -11.663 1.00 15.32 H new ATOM 0 HA LYS A 43 12.972 -2.287 -9.113 1.00 34.51 H new ATOM 0 HB2 LYS A 43 14.004 0.018 -9.397 1.00 20.21 H new ATOM 0 HB3 LYS A 43 15.130 -1.252 -8.961 1.00 20.21 H new ATOM 0 HG2 LYS A 43 15.950 -1.387 -11.286 1.00 34.22 H new ATOM 0 HG3 LYS A 43 14.747 -0.228 -11.813 1.00 34.22 H new ATOM 0 HD2 LYS A 43 15.793 1.564 -10.502 1.00 5.41 H new ATOM 0 HD3 LYS A 43 16.887 0.432 -9.732 1.00 5.41 H new ATOM 0 HE2 LYS A 43 16.870 1.000 -12.737 1.00 54.12 H new ATOM 0 HE3 LYS A 43 17.934 1.804 -11.599 1.00 54.12 H new ATOM 0 HZ1 LYS A 43 19.122 0.011 -12.557 1.00 32.34 H new ATOM 0 HZ2 LYS A 43 18.767 -0.450 -10.962 1.00 32.34 H new ATOM 0 HZ3 LYS A 43 17.871 -1.095 -12.252 1.00 32.34 H new ATOM 701 N THR A 44 11.602 -2.213 -11.733 1.00 62.32 N ATOM 702 CA THR A 44 10.370 -1.857 -12.492 1.00 64.44 C ATOM 703 C THR A 44 9.459 -3.095 -12.660 1.00 1.13 C ATOM 704 O THR A 44 9.929 -4.169 -13.049 1.00 44.14 O ATOM 705 CB THR A 44 10.688 -1.264 -13.915 1.00 52.41 C ATOM 706 OG1 THR A 44 11.533 -0.104 -13.795 1.00 75.02 O ATOM 707 CG2 THR A 44 9.414 -0.873 -14.705 1.00 62.43 C ATOM 0 H THR A 44 11.923 -3.166 -11.904 1.00 62.32 H new ATOM 0 HA THR A 44 9.861 -1.089 -11.909 1.00 64.44 H new ATOM 0 HB THR A 44 11.196 -2.054 -14.469 1.00 52.41 H new ATOM 0 HG1 THR A 44 11.725 0.255 -14.687 1.00 75.02 H new ATOM 0 HG21 THR A 44 9.698 -0.471 -15.677 1.00 62.43 H new ATOM 0 HG22 THR A 44 8.788 -1.754 -14.846 1.00 62.43 H new ATOM 0 HG23 THR A 44 8.858 -0.118 -14.148 1.00 62.43 H new ATOM 715 N VAL A 45 8.160 -2.930 -12.336 1.00 5.22 N ATOM 716 CA VAL A 45 7.113 -3.951 -12.574 1.00 51.33 C ATOM 717 C VAL A 45 6.070 -3.408 -13.596 1.00 32.25 C ATOM 718 O VAL A 45 5.369 -2.429 -13.319 1.00 61.52 O ATOM 719 CB VAL A 45 6.374 -4.377 -11.239 1.00 44.04 C ATOM 720 CG1 VAL A 45 5.415 -5.569 -11.492 1.00 2.23 C ATOM 721 CG2 VAL A 45 7.379 -4.711 -10.105 1.00 24.04 C ATOM 0 H VAL A 45 7.804 -2.080 -11.899 1.00 5.22 H new ATOM 0 HA VAL A 45 7.607 -4.836 -12.974 1.00 51.33 H new ATOM 0 HB VAL A 45 5.782 -3.523 -10.911 1.00 44.04 H new ATOM 0 HG11 VAL A 45 4.920 -5.842 -10.560 1.00 2.23 H new ATOM 0 HG12 VAL A 45 4.666 -5.283 -12.230 1.00 2.23 H new ATOM 0 HG13 VAL A 45 5.984 -6.421 -11.864 1.00 2.23 H new ATOM 0 HG21 VAL A 45 6.832 -4.998 -9.207 1.00 24.04 H new ATOM 0 HG22 VAL A 45 8.021 -5.535 -10.418 1.00 24.04 H new ATOM 0 HG23 VAL A 45 7.991 -3.835 -9.892 1.00 24.04 H new ATOM 731 N THR A 46 6.005 -4.035 -14.783 1.00 44.32 N ATOM 732 CA THR A 46 5.023 -3.695 -15.839 1.00 60.34 C ATOM 733 C THR A 46 3.749 -4.569 -15.701 1.00 43.33 C ATOM 734 O THR A 46 3.804 -5.793 -15.890 1.00 61.22 O ATOM 735 CB THR A 46 5.643 -3.893 -17.265 1.00 30.23 C ATOM 736 OG1 THR A 46 6.875 -3.157 -17.363 1.00 62.51 O ATOM 737 CG2 THR A 46 4.692 -3.432 -18.389 1.00 71.30 C ATOM 0 H THR A 46 6.633 -4.796 -15.043 1.00 44.32 H new ATOM 0 HA THR A 46 4.753 -2.646 -15.716 1.00 60.34 H new ATOM 0 HB THR A 46 5.820 -4.961 -17.394 1.00 30.23 H new ATOM 0 HG1 THR A 46 7.262 -3.284 -18.255 1.00 62.51 H new ATOM 0 HG21 THR A 46 5.168 -3.590 -19.356 1.00 71.30 H new ATOM 0 HG22 THR A 46 3.767 -4.007 -18.342 1.00 71.30 H new ATOM 0 HG23 THR A 46 4.468 -2.373 -18.264 1.00 71.30 H new ATOM 745 N PHE A 47 2.611 -3.934 -15.374 1.00 60.43 N ATOM 746 CA PHE A 47 1.329 -4.641 -15.139 1.00 43.13 C ATOM 747 C PHE A 47 0.520 -4.762 -16.444 1.00 44.24 C ATOM 748 O PHE A 47 0.068 -3.752 -16.976 1.00 74.12 O ATOM 749 CB PHE A 47 0.462 -3.887 -14.091 1.00 42.05 C ATOM 750 CG PHE A 47 1.242 -3.149 -13.019 1.00 60.30 C ATOM 751 CD1 PHE A 47 1.950 -3.842 -12.050 1.00 60.42 C ATOM 752 CD2 PHE A 47 1.244 -1.757 -12.971 1.00 22.32 C ATOM 753 CE1 PHE A 47 2.640 -3.166 -11.061 1.00 44.22 C ATOM 754 CE2 PHE A 47 1.933 -1.081 -11.988 1.00 42.41 C ATOM 755 CZ PHE A 47 2.631 -1.790 -11.026 1.00 35.33 C ATOM 0 H PHE A 47 2.548 -2.922 -15.264 1.00 60.43 H new ATOM 0 HA PHE A 47 1.575 -5.635 -14.765 1.00 43.13 H new ATOM 0 HB2 PHE A 47 -0.172 -3.171 -14.615 1.00 42.05 H new ATOM 0 HB3 PHE A 47 -0.200 -4.605 -13.607 1.00 42.05 H new ATOM 0 HD1 PHE A 47 1.963 -4.922 -12.068 1.00 60.42 H new ATOM 0 HD2 PHE A 47 0.697 -1.199 -13.716 1.00 22.32 H new ATOM 0 HE1 PHE A 47 3.188 -3.720 -10.313 1.00 44.22 H new ATOM 0 HE2 PHE A 47 1.928 -0.001 -11.968 1.00 42.41 H new ATOM 0 HZ PHE A 47 3.167 -1.265 -10.250 1.00 35.33 H new ATOM 765 N CYS A 48 0.334 -5.985 -16.938 1.00 63.03 N ATOM 766 CA CYS A 48 -0.500 -6.253 -18.136 1.00 53.41 C ATOM 767 C CYS A 48 -1.949 -6.600 -17.741 1.00 14.11 C ATOM 768 O CYS A 48 -2.206 -7.633 -17.103 1.00 73.02 O ATOM 769 CB CYS A 48 0.096 -7.402 -18.977 1.00 41.43 C ATOM 770 SG CYS A 48 -0.861 -7.827 -20.453 1.00 55.44 S ATOM 0 H CYS A 48 0.750 -6.822 -16.530 1.00 63.03 H new ATOM 0 HA CYS A 48 -0.509 -5.342 -18.735 1.00 53.41 H new ATOM 0 HB2 CYS A 48 1.106 -7.127 -19.281 1.00 41.43 H new ATOM 0 HB3 CYS A 48 0.183 -8.288 -18.348 1.00 41.43 H new ATOM 0 HG CYS A 48 -0.274 -8.799 -21.086 1.00 55.44 H new ATOM 776 N TRP A 49 -2.882 -5.706 -18.092 1.00 25.22 N ATOM 777 CA TRP A 49 -4.331 -5.954 -17.996 1.00 55.21 C ATOM 778 C TRP A 49 -4.883 -6.398 -19.376 1.00 32.12 C ATOM 779 O TRP A 49 -4.936 -5.599 -20.322 1.00 22.50 O ATOM 780 CB TRP A 49 -5.064 -4.684 -17.502 1.00 23.34 C ATOM 781 CG TRP A 49 -4.770 -4.295 -16.070 1.00 5.52 C ATOM 782 CD1 TRP A 49 -5.365 -4.801 -14.950 1.00 54.22 C ATOM 783 CD2 TRP A 49 -3.830 -3.306 -15.609 1.00 50.42 C ATOM 784 NE1 TRP A 49 -4.865 -4.189 -13.830 1.00 1.52 N ATOM 785 CE2 TRP A 49 -3.918 -3.271 -14.207 1.00 75.34 C ATOM 786 CE3 TRP A 49 -2.929 -2.449 -16.247 1.00 3.45 C ATOM 787 CZ2 TRP A 49 -3.144 -2.412 -13.432 1.00 65.10 C ATOM 788 CZ3 TRP A 49 -2.156 -1.596 -15.481 1.00 2.24 C ATOM 789 CH2 TRP A 49 -2.269 -1.583 -14.083 1.00 24.14 C ATOM 0 H TRP A 49 -2.653 -4.781 -18.454 1.00 25.22 H new ATOM 0 HA TRP A 49 -4.506 -6.752 -17.274 1.00 55.21 H new ATOM 0 HB2 TRP A 49 -4.795 -3.851 -18.152 1.00 23.34 H new ATOM 0 HB3 TRP A 49 -6.138 -4.838 -17.608 1.00 23.34 H new ATOM 0 HD1 TRP A 49 -6.121 -5.572 -14.947 1.00 54.22 H new ATOM 0 HE1 TRP A 49 -5.151 -4.385 -12.871 1.00 1.52 H new ATOM 0 HE3 TRP A 49 -2.838 -2.453 -17.323 1.00 3.45 H new ATOM 0 HZ2 TRP A 49 -3.230 -2.400 -12.356 1.00 65.10 H new ATOM 0 HZ3 TRP A 49 -1.456 -0.931 -15.965 1.00 2.24 H new ATOM 0 HH2 TRP A 49 -1.654 -0.906 -13.508 1.00 24.14 H new ATOM 800 N GLY A 50 -5.287 -7.681 -19.474 1.00 54.13 N ATOM 801 CA GLY A 50 -5.784 -8.265 -20.735 1.00 4.53 C ATOM 802 C GLY A 50 -4.670 -8.508 -21.765 1.00 45.21 C ATOM 803 O GLY A 50 -3.818 -9.383 -21.565 1.00 34.42 O ATOM 0 H GLY A 50 -5.278 -8.334 -18.691 1.00 54.13 H new ATOM 0 HA2 GLY A 50 -6.284 -9.209 -20.519 1.00 4.53 H new ATOM 0 HA3 GLY A 50 -6.532 -7.600 -21.167 1.00 4.53 H new ATOM 807 N LYS A 51 -4.673 -7.726 -22.866 1.00 35.42 N ATOM 808 CA LYS A 51 -3.637 -7.793 -23.927 1.00 1.30 C ATOM 809 C LYS A 51 -2.904 -6.433 -24.060 1.00 11.10 C ATOM 810 O LYS A 51 -1.787 -6.269 -23.553 1.00 34.21 O ATOM 811 CB LYS A 51 -4.265 -8.223 -25.294 1.00 3.22 C ATOM 812 CG LYS A 51 -4.717 -9.698 -25.381 1.00 1.34 C ATOM 813 CD LYS A 51 -3.526 -10.681 -25.294 1.00 54.14 C ATOM 814 CE LYS A 51 -3.948 -12.147 -25.482 1.00 44.10 C ATOM 815 NZ LYS A 51 -2.783 -13.057 -25.476 1.00 13.31 N ATOM 0 H LYS A 51 -5.394 -7.028 -23.047 1.00 35.42 H new ATOM 0 HA LYS A 51 -2.905 -8.549 -23.641 1.00 1.30 H new ATOM 0 HB2 LYS A 51 -5.125 -7.585 -25.496 1.00 3.22 H new ATOM 0 HB3 LYS A 51 -3.537 -8.037 -26.084 1.00 3.22 H new ATOM 0 HG2 LYS A 51 -5.419 -9.909 -24.575 1.00 1.34 H new ATOM 0 HG3 LYS A 51 -5.250 -9.858 -26.318 1.00 1.34 H new ATOM 0 HD2 LYS A 51 -2.789 -10.420 -26.053 1.00 54.14 H new ATOM 0 HD3 LYS A 51 -3.039 -10.569 -24.325 1.00 54.14 H new ATOM 0 HE2 LYS A 51 -4.637 -12.432 -24.687 1.00 44.10 H new ATOM 0 HE3 LYS A 51 -4.487 -12.253 -26.423 1.00 44.10 H new ATOM 0 HZ1 LYS A 51 -3.107 -14.037 -25.605 1.00 13.31 H new ATOM 0 HZ2 LYS A 51 -2.138 -12.801 -26.251 1.00 13.31 H new ATOM 0 HZ3 LYS A 51 -2.283 -12.975 -24.568 1.00 13.31 H new ATOM 829 N THR A 52 -3.559 -5.448 -24.719 1.00 71.14 N ATOM 830 CA THR A 52 -2.934 -4.138 -25.047 1.00 20.43 C ATOM 831 C THR A 52 -3.326 -3.063 -24.005 1.00 11.10 C ATOM 832 O THR A 52 -4.125 -2.163 -24.280 1.00 33.33 O ATOM 833 CB THR A 52 -3.323 -3.677 -26.503 1.00 0.10 C ATOM 834 OG1 THR A 52 -3.141 -4.774 -27.416 1.00 33.34 O ATOM 835 CG2 THR A 52 -2.479 -2.480 -26.997 1.00 42.00 C ATOM 0 H THR A 52 -4.525 -5.534 -25.036 1.00 71.14 H new ATOM 0 HA THR A 52 -1.852 -4.264 -25.012 1.00 20.43 H new ATOM 0 HB THR A 52 -4.365 -3.359 -26.469 1.00 0.10 H new ATOM 0 HG1 THR A 52 -3.384 -4.490 -28.322 1.00 33.34 H new ATOM 0 HG21 THR A 52 -2.791 -2.206 -28.005 1.00 42.00 H new ATOM 0 HG22 THR A 52 -2.625 -1.631 -26.329 1.00 42.00 H new ATOM 0 HG23 THR A 52 -1.425 -2.757 -27.006 1.00 42.00 H new ATOM 843 N GLU A 53 -2.792 -3.223 -22.783 1.00 0.01 N ATOM 844 CA GLU A 53 -2.978 -2.263 -21.662 1.00 71.24 C ATOM 845 C GLU A 53 -1.978 -2.625 -20.535 1.00 41.11 C ATOM 846 O GLU A 53 -2.356 -3.036 -19.435 1.00 3.02 O ATOM 847 CB GLU A 53 -4.477 -2.243 -21.165 1.00 1.03 C ATOM 848 CG GLU A 53 -4.966 -0.916 -20.513 1.00 24.45 C ATOM 849 CD GLU A 53 -4.554 -0.719 -19.039 1.00 71.13 C ATOM 850 OE1 GLU A 53 -5.257 -1.247 -18.153 1.00 4.43 O ATOM 851 OE2 GLU A 53 -3.551 -0.011 -18.759 1.00 15.31 O ATOM 0 H GLU A 53 -2.213 -4.025 -22.535 1.00 0.01 H new ATOM 0 HA GLU A 53 -2.769 -1.248 -22.000 1.00 71.24 H new ATOM 0 HB2 GLU A 53 -5.123 -2.466 -22.014 1.00 1.03 H new ATOM 0 HB3 GLU A 53 -4.610 -3.049 -20.443 1.00 1.03 H new ATOM 0 HG2 GLU A 53 -4.581 -0.080 -21.096 1.00 24.45 H new ATOM 0 HG3 GLU A 53 -6.053 -0.877 -20.578 1.00 24.45 H new ATOM 858 N GLN A 54 -0.678 -2.529 -20.868 1.00 63.55 N ATOM 859 CA GLN A 54 0.430 -2.827 -19.935 1.00 75.12 C ATOM 860 C GLN A 54 1.182 -1.531 -19.556 1.00 64.31 C ATOM 861 O GLN A 54 1.647 -0.795 -20.432 1.00 14.02 O ATOM 862 CB GLN A 54 1.405 -3.907 -20.525 1.00 63.13 C ATOM 863 CG GLN A 54 2.086 -3.585 -21.891 1.00 63.04 C ATOM 864 CD GLN A 54 1.258 -3.924 -23.146 1.00 50.14 C ATOM 865 OE1 GLN A 54 0.035 -3.891 -23.150 1.00 60.20 O ATOM 866 NE2 GLN A 54 1.928 -4.250 -24.235 1.00 14.33 N ATOM 0 H GLN A 54 -0.363 -2.242 -21.795 1.00 63.55 H new ATOM 0 HA GLN A 54 0.002 -3.248 -19.025 1.00 75.12 H new ATOM 0 HB2 GLN A 54 2.190 -4.090 -19.791 1.00 63.13 H new ATOM 0 HB3 GLN A 54 0.850 -4.838 -20.636 1.00 63.13 H new ATOM 0 HG2 GLN A 54 2.328 -2.523 -21.914 1.00 63.04 H new ATOM 0 HG3 GLN A 54 3.030 -4.128 -21.943 1.00 63.04 H new ATOM 0 HE21 GLN A 54 2.948 -4.274 -24.219 1.00 14.33 H new ATOM 0 HE22 GLN A 54 1.426 -4.478 -25.093 1.00 14.33 H new ATOM 875 N ARG A 55 1.295 -1.238 -18.239 1.00 64.22 N ATOM 876 CA ARG A 55 1.899 0.030 -17.751 1.00 55.03 C ATOM 877 C ARG A 55 3.038 -0.247 -16.764 1.00 32.44 C ATOM 878 O ARG A 55 2.873 -0.995 -15.803 1.00 63.02 O ATOM 879 CB ARG A 55 0.831 0.949 -17.111 1.00 12.12 C ATOM 880 CG ARG A 55 -0.359 1.250 -18.060 1.00 62.00 C ATOM 881 CD ARG A 55 -0.902 2.683 -17.946 1.00 43.44 C ATOM 882 NE ARG A 55 -1.194 3.105 -16.571 1.00 71.51 N ATOM 883 CZ ARG A 55 -2.220 2.727 -15.842 1.00 70.43 C ATOM 884 NH1 ARG A 55 -3.046 1.810 -16.245 1.00 30.25 N ATOM 885 NH2 ARG A 55 -2.392 3.272 -14.684 1.00 20.22 N ATOM 0 H ARG A 55 0.977 -1.859 -17.495 1.00 64.22 H new ATOM 0 HA ARG A 55 2.316 0.550 -18.613 1.00 55.03 H new ATOM 0 HB2 ARG A 55 0.454 0.480 -16.202 1.00 12.12 H new ATOM 0 HB3 ARG A 55 1.298 1.888 -16.815 1.00 12.12 H new ATOM 0 HG2 ARG A 55 -0.044 1.072 -19.088 1.00 62.00 H new ATOM 0 HG3 ARG A 55 -1.166 0.549 -17.848 1.00 62.00 H new ATOM 0 HD2 ARG A 55 -0.176 3.371 -18.379 1.00 43.44 H new ATOM 0 HD3 ARG A 55 -1.812 2.764 -18.541 1.00 43.44 H new ATOM 0 HE ARG A 55 -0.537 3.755 -16.139 1.00 71.51 H new ATOM 0 HH11 ARG A 55 -2.908 1.361 -17.151 1.00 30.25 H new ATOM 0 HH12 ARG A 55 -3.833 1.538 -15.656 1.00 30.25 H new ATOM 0 HH21 ARG A 55 -1.738 3.981 -14.352 1.00 20.22 H new ATOM 0 HH22 ARG A 55 -3.182 2.994 -14.102 1.00 20.22 H new ATOM 899 N GLN A 56 4.181 0.389 -17.020 1.00 44.21 N ATOM 900 CA GLN A 56 5.421 0.185 -16.245 1.00 41.15 C ATOM 901 C GLN A 56 5.409 1.055 -14.971 1.00 31.32 C ATOM 902 O GLN A 56 4.966 2.209 -15.019 1.00 63.35 O ATOM 903 CB GLN A 56 6.647 0.546 -17.135 1.00 24.41 C ATOM 904 CG GLN A 56 6.603 -0.071 -18.551 1.00 10.41 C ATOM 905 CD GLN A 56 7.840 0.243 -19.397 1.00 61.24 C ATOM 906 OE1 GLN A 56 7.892 1.245 -20.097 1.00 12.03 O ATOM 907 NE2 GLN A 56 8.832 -0.619 -19.352 1.00 42.23 N ATOM 0 H GLN A 56 4.281 1.067 -17.775 1.00 44.21 H new ATOM 0 HA GLN A 56 5.489 -0.860 -15.942 1.00 41.15 H new ATOM 0 HB2 GLN A 56 6.710 1.630 -17.225 1.00 24.41 H new ATOM 0 HB3 GLN A 56 7.556 0.214 -16.634 1.00 24.41 H new ATOM 0 HG2 GLN A 56 6.498 -1.152 -18.464 1.00 10.41 H new ATOM 0 HG3 GLN A 56 5.717 0.294 -19.070 1.00 10.41 H new ATOM 0 HE21 GLN A 56 8.762 -1.446 -18.760 1.00 42.23 H new ATOM 0 HE22 GLN A 56 9.671 -0.460 -19.910 1.00 42.23 H new ATOM 916 N ALA A 57 5.879 0.505 -13.835 1.00 52.30 N ATOM 917 CA ALA A 57 6.023 1.265 -12.570 1.00 73.20 C ATOM 918 C ALA A 57 7.407 1.021 -11.943 1.00 13.15 C ATOM 919 O ALA A 57 7.740 -0.105 -11.566 1.00 63.10 O ATOM 920 CB ALA A 57 4.910 0.892 -11.577 1.00 62.14 C ATOM 0 H ALA A 57 6.169 -0.470 -13.764 1.00 52.30 H new ATOM 0 HA ALA A 57 5.932 2.326 -12.802 1.00 73.20 H new ATOM 0 HB1 ALA A 57 5.037 1.462 -10.657 1.00 62.14 H new ATOM 0 HB2 ALA A 57 3.939 1.122 -12.015 1.00 62.14 H new ATOM 0 HB3 ALA A 57 4.964 -0.174 -11.354 1.00 62.14 H new ATOM 926 N GLY A 58 8.194 2.101 -11.823 1.00 54.21 N ATOM 927 CA GLY A 58 9.529 2.049 -11.236 1.00 34.44 C ATOM 928 C GLY A 58 9.505 2.142 -9.710 1.00 34.12 C ATOM 929 O GLY A 58 8.986 3.119 -9.155 1.00 12.10 O ATOM 0 H GLY A 58 7.917 3.033 -12.132 1.00 54.21 H new ATOM 0 HA2 GLY A 58 10.016 1.120 -11.532 1.00 34.44 H new ATOM 0 HA3 GLY A 58 10.130 2.865 -11.637 1.00 34.44 H new ATOM 933 N ILE A 59 10.048 1.110 -9.032 1.00 23.14 N ATOM 934 CA ILE A 59 10.214 1.109 -7.563 1.00 25.42 C ATOM 935 C ILE A 59 11.264 2.172 -7.178 1.00 13.42 C ATOM 936 O ILE A 59 12.414 2.101 -7.632 1.00 4.14 O ATOM 937 CB ILE A 59 10.659 -0.300 -6.969 1.00 72.42 C ATOM 938 CG1 ILE A 59 9.567 -1.409 -7.196 1.00 21.43 C ATOM 939 CG2 ILE A 59 11.007 -0.184 -5.451 1.00 64.03 C ATOM 940 CD1 ILE A 59 9.381 -1.884 -8.627 1.00 70.10 C ATOM 0 H ILE A 59 10.382 0.259 -9.484 1.00 23.14 H new ATOM 0 HA ILE A 59 9.237 1.334 -7.135 1.00 25.42 H new ATOM 0 HB ILE A 59 11.555 -0.603 -7.511 1.00 72.42 H new ATOM 0 HG12 ILE A 59 9.821 -2.271 -6.579 1.00 21.43 H new ATOM 0 HG13 ILE A 59 8.612 -1.028 -6.834 1.00 21.43 H new ATOM 0 HG21 ILE A 59 11.308 -1.160 -5.071 1.00 64.03 H new ATOM 0 HG22 ILE A 59 11.825 0.524 -5.318 1.00 64.03 H new ATOM 0 HG23 ILE A 59 10.132 0.165 -4.903 1.00 64.03 H new ATOM 0 HD11 ILE A 59 8.603 -2.647 -8.659 1.00 70.10 H new ATOM 0 HD12 ILE A 59 9.089 -1.042 -9.255 1.00 70.10 H new ATOM 0 HD13 ILE A 59 10.317 -2.304 -8.995 1.00 70.10 H new ATOM 952 N VAL A 60 10.862 3.149 -6.352 1.00 65.10 N ATOM 953 CA VAL A 60 11.749 4.245 -5.930 1.00 31.31 C ATOM 954 C VAL A 60 12.703 3.753 -4.815 1.00 14.30 C ATOM 955 O VAL A 60 13.923 3.951 -4.895 1.00 34.01 O ATOM 956 CB VAL A 60 10.929 5.495 -5.431 1.00 52.50 C ATOM 957 CG1 VAL A 60 11.849 6.729 -5.215 1.00 52.11 C ATOM 958 CG2 VAL A 60 9.762 5.827 -6.402 1.00 5.42 C ATOM 0 H VAL A 60 9.922 3.203 -5.960 1.00 65.10 H new ATOM 0 HA VAL A 60 12.334 4.556 -6.796 1.00 31.31 H new ATOM 0 HB VAL A 60 10.494 5.237 -4.465 1.00 52.50 H new ATOM 0 HG11 VAL A 60 11.251 7.573 -4.871 1.00 52.11 H new ATOM 0 HG12 VAL A 60 12.606 6.492 -4.467 1.00 52.11 H new ATOM 0 HG13 VAL A 60 12.336 6.989 -6.155 1.00 52.11 H new ATOM 0 HG21 VAL A 60 9.215 6.694 -6.031 1.00 5.42 H new ATOM 0 HG22 VAL A 60 10.163 6.048 -7.391 1.00 5.42 H new ATOM 0 HG23 VAL A 60 9.088 4.973 -6.466 1.00 5.42 H new ATOM 968 N ALA A 61 12.128 3.079 -3.792 1.00 11.13 N ATOM 969 CA ALA A 61 12.897 2.531 -2.652 1.00 1.34 C ATOM 970 C ALA A 61 12.110 1.424 -1.908 1.00 51.01 C ATOM 971 O ALA A 61 10.874 1.410 -1.917 1.00 14.30 O ATOM 972 CB ALA A 61 13.292 3.659 -1.681 1.00 10.44 C ATOM 0 H ALA A 61 11.125 2.901 -3.734 1.00 11.13 H new ATOM 0 HA ALA A 61 13.803 2.075 -3.052 1.00 1.34 H new ATOM 0 HB1 ALA A 61 13.857 3.241 -0.848 1.00 10.44 H new ATOM 0 HB2 ALA A 61 13.906 4.391 -2.205 1.00 10.44 H new ATOM 0 HB3 ALA A 61 12.393 4.145 -1.302 1.00 10.44 H new ATOM 978 N ILE A 62 12.862 0.512 -1.264 1.00 32.12 N ATOM 979 CA ILE A 62 12.317 -0.607 -0.452 1.00 32.34 C ATOM 980 C ILE A 62 13.392 -1.100 0.556 1.00 73.32 C ATOM 981 O ILE A 62 14.595 -1.071 0.256 1.00 34.21 O ATOM 982 CB ILE A 62 11.800 -1.818 -1.349 1.00 60.31 C ATOM 983 CG1 ILE A 62 11.311 -3.024 -0.459 1.00 64.14 C ATOM 984 CG2 ILE A 62 12.862 -2.264 -2.384 1.00 51.25 C ATOM 985 CD1 ILE A 62 10.861 -4.267 -1.214 1.00 74.35 C ATOM 0 H ILE A 62 13.882 0.527 -1.290 1.00 32.12 H new ATOM 0 HA ILE A 62 11.452 -0.225 0.091 1.00 32.34 H new ATOM 0 HB ILE A 62 10.940 -1.458 -1.913 1.00 60.31 H new ATOM 0 HG12 ILE A 62 12.120 -3.305 0.215 1.00 64.14 H new ATOM 0 HG13 ILE A 62 10.484 -2.680 0.162 1.00 64.14 H new ATOM 0 HG21 ILE A 62 12.469 -3.092 -2.975 1.00 51.25 H new ATOM 0 HG22 ILE A 62 13.101 -1.429 -3.043 1.00 51.25 H new ATOM 0 HG23 ILE A 62 13.764 -2.586 -1.864 1.00 51.25 H new ATOM 0 HD11 ILE A 62 10.547 -5.031 -0.503 1.00 74.35 H new ATOM 0 HD12 ILE A 62 10.026 -4.014 -1.867 1.00 74.35 H new ATOM 0 HD13 ILE A 62 11.688 -4.648 -1.813 1.00 74.35 H new ATOM 997 N ARG A 63 12.945 -1.551 1.751 1.00 24.14 N ATOM 998 CA ARG A 63 13.841 -2.100 2.796 1.00 42.03 C ATOM 999 C ARG A 63 13.054 -3.038 3.741 1.00 14.51 C ATOM 1000 O ARG A 63 12.286 -2.571 4.601 1.00 41.22 O ATOM 1001 CB ARG A 63 14.518 -0.956 3.597 1.00 1.04 C ATOM 1002 CG ARG A 63 15.602 -1.404 4.603 1.00 73.11 C ATOM 1003 CD ARG A 63 16.219 -0.217 5.364 1.00 74.30 C ATOM 1004 NE ARG A 63 17.319 -0.634 6.255 1.00 1.44 N ATOM 1005 CZ ARG A 63 17.350 -0.494 7.564 1.00 24.42 C ATOM 1006 NH1 ARG A 63 16.336 -0.018 8.220 1.00 15.12 N ATOM 1007 NH2 ARG A 63 18.409 -0.843 8.216 1.00 75.04 N ATOM 0 H ARG A 63 11.960 -1.545 2.017 1.00 24.14 H new ATOM 0 HA ARG A 63 14.624 -2.680 2.308 1.00 42.03 H new ATOM 0 HB2 ARG A 63 14.968 -0.258 2.891 1.00 1.04 H new ATOM 0 HB3 ARG A 63 13.747 -0.409 4.139 1.00 1.04 H new ATOM 0 HG2 ARG A 63 15.166 -2.103 5.317 1.00 73.11 H new ATOM 0 HG3 ARG A 63 16.388 -1.940 4.072 1.00 73.11 H new ATOM 0 HD2 ARG A 63 16.592 0.516 4.649 1.00 74.30 H new ATOM 0 HD3 ARG A 63 15.445 0.276 5.952 1.00 74.30 H new ATOM 0 HE ARG A 63 18.130 -1.071 5.817 1.00 1.44 H new ATOM 0 HH11 ARG A 63 15.490 0.258 7.721 1.00 15.12 H new ATOM 0 HH12 ARG A 63 16.385 0.080 9.234 1.00 15.12 H new ATOM 0 HH21 ARG A 63 19.213 -1.224 7.717 1.00 75.04 H new ATOM 0 HH22 ARG A 63 18.441 -0.738 9.230 1.00 75.04 H new ATOM 1021 N ALA A 64 13.260 -4.359 3.548 1.00 64.32 N ATOM 1022 CA ALA A 64 12.624 -5.446 4.326 1.00 21.41 C ATOM 1023 C ALA A 64 11.070 -5.400 4.266 1.00 22.42 C ATOM 1024 O ALA A 64 10.453 -6.064 3.422 1.00 13.23 O ATOM 1025 CB ALA A 64 13.149 -5.479 5.780 1.00 24.21 C ATOM 0 H ALA A 64 13.891 -4.709 2.827 1.00 64.32 H new ATOM 0 HA ALA A 64 12.914 -6.383 3.851 1.00 21.41 H new ATOM 0 HB1 ALA A 64 12.662 -6.288 6.324 1.00 24.21 H new ATOM 0 HB2 ALA A 64 14.227 -5.642 5.774 1.00 24.21 H new ATOM 0 HB3 ALA A 64 12.929 -4.530 6.268 1.00 24.21 H new ATOM 1031 N TYR A 65 10.456 -4.579 5.135 1.00 61.00 N ATOM 1032 CA TYR A 65 8.980 -4.470 5.260 1.00 74.14 C ATOM 1033 C TYR A 65 8.561 -3.072 5.809 1.00 22.11 C ATOM 1034 O TYR A 65 7.380 -2.724 5.824 1.00 43.22 O ATOM 1035 CB TYR A 65 8.445 -5.621 6.174 1.00 64.14 C ATOM 1036 CG TYR A 65 8.723 -5.473 7.689 1.00 3.52 C ATOM 1037 CD1 TYR A 65 9.958 -5.033 8.185 1.00 54.43 C ATOM 1038 CD2 TYR A 65 7.723 -5.748 8.626 1.00 31.33 C ATOM 1039 CE1 TYR A 65 10.173 -4.877 9.542 1.00 32.50 C ATOM 1040 CE2 TYR A 65 7.933 -5.587 9.975 1.00 33.34 C ATOM 1041 CZ TYR A 65 9.159 -5.153 10.434 1.00 72.45 C ATOM 1042 OH TYR A 65 9.372 -4.983 11.792 1.00 43.12 O ATOM 0 H TYR A 65 10.964 -3.968 5.775 1.00 61.00 H new ATOM 0 HA TYR A 65 8.535 -4.571 4.270 1.00 74.14 H new ATOM 0 HB2 TYR A 65 7.368 -5.701 6.029 1.00 64.14 H new ATOM 0 HB3 TYR A 65 8.883 -6.560 5.835 1.00 64.14 H new ATOM 0 HD1 TYR A 65 10.757 -4.811 7.494 1.00 54.43 H new ATOM 0 HD2 TYR A 65 6.760 -6.096 8.281 1.00 31.33 H new ATOM 0 HE1 TYR A 65 11.134 -4.540 9.902 1.00 32.50 H new ATOM 0 HE2 TYR A 65 7.139 -5.800 10.675 1.00 33.34 H new ATOM 0 HH TYR A 65 10.025 -4.266 11.933 1.00 43.12 H new ATOM 1052 N SER A 66 9.563 -2.269 6.233 1.00 40.04 N ATOM 1053 CA SER A 66 9.345 -0.957 6.893 1.00 11.23 C ATOM 1054 C SER A 66 9.051 0.185 5.885 1.00 32.41 C ATOM 1055 O SER A 66 8.800 1.315 6.304 1.00 71.01 O ATOM 1056 CB SER A 66 10.570 -0.597 7.773 1.00 13.23 C ATOM 1057 OG SER A 66 10.797 -1.585 8.774 1.00 40.45 O ATOM 0 H SER A 66 10.548 -2.511 6.128 1.00 40.04 H new ATOM 0 HA SER A 66 8.458 -1.057 7.518 1.00 11.23 H new ATOM 0 HB2 SER A 66 11.456 -0.502 7.145 1.00 13.23 H new ATOM 0 HB3 SER A 66 10.409 0.372 8.245 1.00 13.23 H new ATOM 0 HG SER A 66 11.576 -1.332 9.312 1.00 40.45 H new ATOM 1063 N PHE A 67 9.083 -0.135 4.567 1.00 42.21 N ATOM 1064 CA PHE A 67 8.678 0.775 3.457 1.00 63.31 C ATOM 1065 C PHE A 67 8.914 0.113 2.081 1.00 74.44 C ATOM 1066 O PHE A 67 9.893 -0.623 1.886 1.00 44.41 O ATOM 1067 CB PHE A 67 9.353 2.188 3.488 1.00 11.41 C ATOM 1068 CG PHE A 67 10.880 2.230 3.375 1.00 32.34 C ATOM 1069 CD1 PHE A 67 11.517 2.287 2.131 1.00 31.41 C ATOM 1070 CD2 PHE A 67 11.680 2.267 4.516 1.00 3.24 C ATOM 1071 CE1 PHE A 67 12.889 2.379 2.037 1.00 22.03 C ATOM 1072 CE2 PHE A 67 13.053 2.350 4.420 1.00 45.32 C ATOM 1073 CZ PHE A 67 13.656 2.411 3.178 1.00 12.41 C ATOM 0 H PHE A 67 9.396 -1.048 4.236 1.00 42.21 H new ATOM 0 HA PHE A 67 7.613 0.945 3.615 1.00 63.31 H new ATOM 0 HB2 PHE A 67 8.936 2.781 2.674 1.00 11.41 H new ATOM 0 HB3 PHE A 67 9.068 2.680 4.418 1.00 11.41 H new ATOM 0 HD1 PHE A 67 10.924 2.258 1.229 1.00 31.41 H new ATOM 0 HD2 PHE A 67 11.217 2.230 5.491 1.00 3.24 H new ATOM 0 HE1 PHE A 67 13.362 2.426 1.067 1.00 22.03 H new ATOM 0 HE2 PHE A 67 13.657 2.367 5.315 1.00 45.32 H new ATOM 0 HZ PHE A 67 14.731 2.484 3.103 1.00 12.41 H new ATOM 1083 N ILE A 68 7.989 0.372 1.147 1.00 55.33 N ATOM 1084 CA ILE A 68 8.119 -0.013 -0.272 1.00 21.02 C ATOM 1085 C ILE A 68 7.319 0.987 -1.143 1.00 42.32 C ATOM 1086 O ILE A 68 6.159 1.268 -0.857 1.00 70.32 O ATOM 1087 CB ILE A 68 7.640 -1.496 -0.515 1.00 44.24 C ATOM 1088 CG1 ILE A 68 7.853 -1.926 -2.005 1.00 42.51 C ATOM 1089 CG2 ILE A 68 6.171 -1.690 -0.065 1.00 51.35 C ATOM 1090 CD1 ILE A 68 7.449 -3.357 -2.308 1.00 55.54 C ATOM 0 H ILE A 68 7.118 0.860 1.354 1.00 55.33 H new ATOM 0 HA ILE A 68 9.171 0.026 -0.556 1.00 21.02 H new ATOM 0 HB ILE A 68 8.257 -2.151 0.100 1.00 44.24 H new ATOM 0 HG12 ILE A 68 7.283 -1.256 -2.649 1.00 42.51 H new ATOM 0 HG13 ILE A 68 8.904 -1.796 -2.261 1.00 42.51 H new ATOM 0 HG21 ILE A 68 5.869 -2.722 -0.245 1.00 51.35 H new ATOM 0 HG22 ILE A 68 6.084 -1.466 0.998 1.00 51.35 H new ATOM 0 HG23 ILE A 68 5.525 -1.019 -0.631 1.00 51.35 H new ATOM 0 HD11 ILE A 68 7.630 -3.571 -3.361 1.00 55.54 H new ATOM 0 HD12 ILE A 68 8.037 -4.039 -1.693 1.00 55.54 H new ATOM 0 HD13 ILE A 68 6.390 -3.491 -2.087 1.00 55.54 H new ATOM 1102 N ARG A 69 7.948 1.541 -2.196 1.00 24.14 N ATOM 1103 CA ARG A 69 7.369 2.661 -2.986 1.00 73.20 C ATOM 1104 C ARG A 69 7.356 2.343 -4.499 1.00 31.34 C ATOM 1105 O ARG A 69 8.409 2.128 -5.090 1.00 51.01 O ATOM 1106 CB ARG A 69 8.172 3.980 -2.728 1.00 44.41 C ATOM 1107 CG ARG A 69 8.062 4.549 -1.286 1.00 14.14 C ATOM 1108 CD ARG A 69 9.142 4.039 -0.301 1.00 22.32 C ATOM 1109 NE ARG A 69 10.376 4.851 -0.360 1.00 24.34 N ATOM 1110 CZ ARG A 69 10.965 5.438 0.675 1.00 22.42 C ATOM 1111 NH1 ARG A 69 10.456 5.382 1.870 1.00 62.23 N ATOM 1112 NH2 ARG A 69 12.060 6.105 0.489 1.00 3.32 N ATOM 0 H ARG A 69 8.863 1.234 -2.527 1.00 24.14 H new ATOM 0 HA ARG A 69 6.338 2.795 -2.660 1.00 73.20 H new ATOM 0 HB2 ARG A 69 9.223 3.796 -2.950 1.00 44.41 H new ATOM 0 HB3 ARG A 69 7.827 4.740 -3.429 1.00 44.41 H new ATOM 0 HG2 ARG A 69 8.119 5.636 -1.335 1.00 14.14 H new ATOM 0 HG3 ARG A 69 7.079 4.299 -0.886 1.00 14.14 H new ATOM 0 HD2 ARG A 69 8.744 4.058 0.714 1.00 22.32 H new ATOM 0 HD3 ARG A 69 9.380 3.001 -0.531 1.00 22.32 H new ATOM 0 HE ARG A 69 10.812 4.971 -1.274 1.00 24.34 H new ATOM 0 HH11 ARG A 69 9.584 4.878 2.030 1.00 62.23 H new ATOM 0 HH12 ARG A 69 10.929 5.842 2.648 1.00 62.23 H new ATOM 0 HH21 ARG A 69 12.462 6.175 -0.446 1.00 3.32 H new ATOM 0 HH22 ARG A 69 12.520 6.560 1.277 1.00 3.32 H new ATOM 1126 N PHE A 70 6.153 2.322 -5.116 1.00 73.31 N ATOM 1127 CA PHE A 70 5.995 2.182 -6.592 1.00 14.24 C ATOM 1128 C PHE A 70 5.519 3.515 -7.210 1.00 72.10 C ATOM 1129 O PHE A 70 4.432 3.987 -6.876 1.00 0.12 O ATOM 1130 CB PHE A 70 4.942 1.097 -6.946 1.00 45.33 C ATOM 1131 CG PHE A 70 5.266 -0.323 -6.502 1.00 11.12 C ATOM 1132 CD1 PHE A 70 5.072 -0.719 -5.182 1.00 52.40 C ATOM 1133 CD2 PHE A 70 5.750 -1.269 -7.412 1.00 32.12 C ATOM 1134 CE1 PHE A 70 5.351 -2.008 -4.786 1.00 60.21 C ATOM 1135 CE2 PHE A 70 6.024 -2.561 -7.010 1.00 62.51 C ATOM 1136 CZ PHE A 70 5.828 -2.929 -5.698 1.00 44.01 C ATOM 0 H PHE A 70 5.268 2.400 -4.615 1.00 73.31 H new ATOM 0 HA PHE A 70 6.968 1.897 -6.992 1.00 14.24 H new ATOM 0 HB2 PHE A 70 3.989 1.386 -6.502 1.00 45.33 H new ATOM 0 HB3 PHE A 70 4.802 1.095 -8.027 1.00 45.33 H new ATOM 0 HD1 PHE A 70 4.699 -0.008 -4.460 1.00 52.40 H new ATOM 0 HD2 PHE A 70 5.911 -0.985 -8.441 1.00 32.12 H new ATOM 0 HE1 PHE A 70 5.196 -2.300 -3.758 1.00 60.21 H new ATOM 0 HE2 PHE A 70 6.392 -3.283 -7.724 1.00 62.51 H new ATOM 0 HZ PHE A 70 6.047 -3.938 -5.382 1.00 44.01 H new ATOM 1146 N HIS A 71 6.314 4.084 -8.133 1.00 22.14 N ATOM 1147 CA HIS A 71 5.908 5.244 -8.963 1.00 35.40 C ATOM 1148 C HIS A 71 5.672 4.779 -10.407 1.00 22.14 C ATOM 1149 O HIS A 71 6.562 4.179 -11.012 1.00 32.50 O ATOM 1150 CB HIS A 71 6.993 6.363 -8.923 1.00 62.32 C ATOM 1151 CG HIS A 71 6.751 7.505 -9.892 1.00 10.30 C ATOM 1152 ND1 HIS A 71 5.770 8.456 -9.706 1.00 0.01 N ATOM 1153 CD2 HIS A 71 7.332 7.808 -11.084 1.00 72.50 C ATOM 1154 CE1 HIS A 71 5.753 9.280 -10.736 1.00 3.41 C ATOM 1155 NE2 HIS A 71 6.686 8.910 -11.582 1.00 23.12 N ATOM 0 H HIS A 71 7.260 3.755 -8.329 1.00 22.14 H new ATOM 0 HA HIS A 71 4.984 5.660 -8.561 1.00 35.40 H new ATOM 0 HB2 HIS A 71 7.045 6.766 -7.911 1.00 62.32 H new ATOM 0 HB3 HIS A 71 7.964 5.918 -9.140 1.00 62.32 H new ATOM 0 HD1 HIS A 71 5.152 8.514 -8.896 1.00 0.01 H new ATOM 0 HD2 HIS A 71 8.150 7.279 -11.551 1.00 72.50 H new ATOM 0 HE1 HIS A 71 5.084 10.118 -10.862 1.00 3.41 H new ATOM 1164 N TRP A 72 4.492 5.087 -10.967 1.00 35.44 N ATOM 1165 CA TRP A 72 4.174 4.735 -12.363 1.00 14.54 C ATOM 1166 C TRP A 72 5.013 5.586 -13.342 1.00 73.14 C ATOM 1167 O TRP A 72 5.033 6.819 -13.249 1.00 33.42 O ATOM 1168 CB TRP A 72 2.677 4.929 -12.670 1.00 75.31 C ATOM 1169 CG TRP A 72 1.735 4.121 -11.807 1.00 2.21 C ATOM 1170 CD1 TRP A 72 1.336 2.824 -11.997 1.00 42.50 C ATOM 1171 CD2 TRP A 72 1.045 4.583 -10.636 1.00 64.23 C ATOM 1172 NE1 TRP A 72 0.444 2.461 -11.021 1.00 3.40 N ATOM 1173 CE2 TRP A 72 0.250 3.523 -10.175 1.00 33.01 C ATOM 1174 CE3 TRP A 72 1.029 5.797 -9.939 1.00 63.14 C ATOM 1175 CZ2 TRP A 72 -0.558 3.636 -9.047 1.00 74.54 C ATOM 1176 CZ3 TRP A 72 0.231 5.910 -8.818 1.00 60.54 C ATOM 1177 CH2 TRP A 72 -0.557 4.837 -8.382 1.00 51.11 C ATOM 0 H TRP A 72 3.743 5.577 -10.478 1.00 35.44 H new ATOM 0 HA TRP A 72 4.419 3.681 -12.494 1.00 14.54 H new ATOM 0 HB2 TRP A 72 2.433 5.985 -12.557 1.00 75.31 H new ATOM 0 HB3 TRP A 72 2.500 4.671 -13.714 1.00 75.31 H new ATOM 0 HD1 TRP A 72 1.674 2.182 -12.797 1.00 42.50 H new ATOM 0 HE1 TRP A 72 -0.003 1.548 -10.938 1.00 3.40 H new ATOM 0 HE3 TRP A 72 1.630 6.630 -10.272 1.00 63.14 H new ATOM 0 HZ2 TRP A 72 -1.164 2.809 -8.707 1.00 74.54 H new ATOM 0 HZ3 TRP A 72 0.214 6.840 -8.269 1.00 60.54 H new ATOM 0 HH2 TRP A 72 -1.176 4.957 -7.505 1.00 51.11 H new ATOM 1188 N LEU A 73 5.718 4.911 -14.263 1.00 14.12 N ATOM 1189 CA LEU A 73 6.503 5.578 -15.322 1.00 73.11 C ATOM 1190 C LEU A 73 5.575 6.241 -16.369 1.00 54.33 C ATOM 1191 O LEU A 73 5.968 7.192 -17.044 1.00 2.51 O ATOM 1192 CB LEU A 73 7.463 4.558 -15.994 1.00 53.13 C ATOM 1193 CG LEU A 73 8.446 3.810 -15.030 1.00 61.30 C ATOM 1194 CD1 LEU A 73 9.420 2.896 -15.805 1.00 72.11 C ATOM 1195 CD2 LEU A 73 9.209 4.800 -14.120 1.00 10.13 C ATOM 0 H LEU A 73 5.762 3.893 -14.298 1.00 14.12 H new ATOM 0 HA LEU A 73 7.099 6.368 -14.866 1.00 73.11 H new ATOM 0 HB2 LEU A 73 6.863 3.815 -16.519 1.00 53.13 H new ATOM 0 HB3 LEU A 73 8.051 5.083 -16.747 1.00 53.13 H new ATOM 0 HG LEU A 73 7.842 3.170 -14.387 1.00 61.30 H new ATOM 0 HD11 LEU A 73 10.086 2.395 -15.102 1.00 72.11 H new ATOM 0 HD12 LEU A 73 8.853 2.151 -16.363 1.00 72.11 H new ATOM 0 HD13 LEU A 73 10.010 3.497 -16.497 1.00 72.11 H new ATOM 0 HD21 LEU A 73 9.882 4.247 -13.464 1.00 10.13 H new ATOM 0 HD22 LEU A 73 9.787 5.489 -14.736 1.00 10.13 H new ATOM 0 HD23 LEU A 73 8.497 5.363 -13.517 1.00 10.13 H new ATOM 1207 N ASP A 74 4.337 5.715 -16.487 1.00 40.34 N ATOM 1208 CA ASP A 74 3.295 6.284 -17.364 1.00 44.41 C ATOM 1209 C ASP A 74 2.545 7.437 -16.637 1.00 13.52 C ATOM 1210 O ASP A 74 2.500 8.570 -17.124 1.00 42.45 O ATOM 1211 CB ASP A 74 2.318 5.157 -17.800 1.00 71.23 C ATOM 1212 CG ASP A 74 1.323 5.610 -18.884 1.00 0.11 C ATOM 1213 OD1 ASP A 74 1.719 5.686 -20.065 1.00 72.34 O ATOM 1214 OD2 ASP A 74 0.146 5.888 -18.570 1.00 14.25 O ATOM 0 H ASP A 74 4.034 4.885 -15.977 1.00 40.34 H new ATOM 0 HA ASP A 74 3.758 6.706 -18.256 1.00 44.41 H new ATOM 0 HB2 ASP A 74 2.893 4.310 -18.174 1.00 71.23 H new ATOM 0 HB3 ASP A 74 1.764 4.807 -16.929 1.00 71.23 H new ATOM 1219 N ASP A 75 1.960 7.132 -15.461 1.00 34.01 N ATOM 1220 CA ASP A 75 1.222 8.121 -14.634 1.00 13.33 C ATOM 1221 C ASP A 75 2.227 8.976 -13.807 1.00 33.44 C ATOM 1222 O ASP A 75 2.627 8.603 -12.696 1.00 60.42 O ATOM 1223 CB ASP A 75 0.209 7.393 -13.707 1.00 1.30 C ATOM 1224 CG ASP A 75 -0.627 6.330 -14.448 1.00 31.00 C ATOM 1225 OD1 ASP A 75 -0.120 5.202 -14.658 1.00 24.11 O ATOM 1226 OD2 ASP A 75 -1.781 6.612 -14.825 1.00 65.51 O ATOM 0 H ASP A 75 1.983 6.197 -15.055 1.00 34.01 H new ATOM 0 HA ASP A 75 0.661 8.790 -15.287 1.00 13.33 H new ATOM 0 HB2 ASP A 75 0.750 6.917 -12.889 1.00 1.30 H new ATOM 0 HB3 ASP A 75 -0.461 8.128 -13.261 1.00 1.30 H new ATOM 1231 N GLU A 76 2.647 10.115 -14.384 1.00 13.01 N ATOM 1232 CA GLU A 76 3.745 10.961 -13.850 1.00 15.44 C ATOM 1233 C GLU A 76 3.291 12.433 -13.636 1.00 44.33 C ATOM 1234 O GLU A 76 4.132 13.341 -13.613 1.00 52.01 O ATOM 1235 CB GLU A 76 4.943 10.905 -14.846 1.00 22.13 C ATOM 1236 CG GLU A 76 4.614 11.413 -16.269 1.00 53.34 C ATOM 1237 CD GLU A 76 5.824 11.403 -17.217 1.00 25.15 C ATOM 1238 OE1 GLU A 76 6.102 10.350 -17.823 1.00 41.05 O ATOM 1239 OE2 GLU A 76 6.509 12.443 -17.350 1.00 63.32 O ATOM 0 H GLU A 76 2.235 10.483 -15.241 1.00 13.01 H new ATOM 0 HA GLU A 76 4.042 10.575 -12.875 1.00 15.44 H new ATOM 0 HB2 GLU A 76 5.764 11.498 -14.442 1.00 22.13 H new ATOM 0 HB3 GLU A 76 5.296 9.876 -14.913 1.00 22.13 H new ATOM 0 HG2 GLU A 76 3.824 10.794 -16.694 1.00 53.34 H new ATOM 0 HG3 GLU A 76 4.222 12.428 -16.203 1.00 53.34 H new ATOM 1246 N ASN A 77 1.970 12.632 -13.436 1.00 34.15 N ATOM 1247 CA ASN A 77 1.309 13.973 -13.376 1.00 61.11 C ATOM 1248 C ASN A 77 2.045 14.999 -12.479 1.00 32.12 C ATOM 1249 O ASN A 77 2.266 16.149 -12.889 1.00 23.53 O ATOM 1250 CB ASN A 77 -0.159 13.801 -12.884 1.00 0.45 C ATOM 1251 CG ASN A 77 -0.952 15.115 -12.777 1.00 5.41 C ATOM 1252 OD1 ASN A 77 -0.785 16.033 -13.573 1.00 43.52 O ATOM 1253 ND2 ASN A 77 -1.814 15.217 -11.782 1.00 62.24 N ATOM 0 H ASN A 77 1.315 11.860 -13.309 1.00 34.15 H new ATOM 0 HA ASN A 77 1.339 14.380 -14.387 1.00 61.11 H new ATOM 0 HB2 ASN A 77 -0.682 13.130 -13.566 1.00 0.45 H new ATOM 0 HB3 ASN A 77 -0.148 13.317 -11.907 1.00 0.45 H new ATOM 0 HD21 ASN A 77 -2.357 16.072 -11.664 1.00 62.24 H new ATOM 0 HD22 ASN A 77 -1.937 14.441 -11.132 1.00 62.24 H new ATOM 1260 N GLU A 78 2.434 14.571 -11.279 1.00 62.12 N ATOM 1261 CA GLU A 78 2.950 15.486 -10.248 1.00 41.21 C ATOM 1262 C GLU A 78 3.957 14.766 -9.324 1.00 42.33 C ATOM 1263 O GLU A 78 5.145 15.114 -9.276 1.00 10.23 O ATOM 1264 CB GLU A 78 1.740 16.021 -9.437 1.00 32.45 C ATOM 1265 CG GLU A 78 2.044 17.220 -8.538 1.00 34.41 C ATOM 1266 CD GLU A 78 0.844 17.618 -7.670 1.00 31.41 C ATOM 1267 OE1 GLU A 78 -0.221 17.950 -8.241 1.00 44.42 O ATOM 1268 OE2 GLU A 78 0.947 17.574 -6.429 1.00 1.50 O ATOM 0 H GLU A 78 2.403 13.593 -10.991 1.00 62.12 H new ATOM 0 HA GLU A 78 3.483 16.314 -10.716 1.00 41.21 H new ATOM 0 HB2 GLU A 78 0.949 16.300 -10.134 1.00 32.45 H new ATOM 0 HB3 GLU A 78 1.350 15.212 -8.819 1.00 32.45 H new ATOM 0 HG2 GLU A 78 2.892 16.983 -7.895 1.00 34.41 H new ATOM 0 HG3 GLU A 78 2.340 18.068 -9.156 1.00 34.41 H new ATOM 1275 N ARG A 79 3.455 13.756 -8.597 1.00 41.24 N ATOM 1276 CA ARG A 79 4.251 12.940 -7.660 1.00 54.42 C ATOM 1277 C ARG A 79 3.841 11.464 -7.811 1.00 73.51 C ATOM 1278 O ARG A 79 4.685 10.596 -8.051 1.00 25.30 O ATOM 1279 CB ARG A 79 4.046 13.421 -6.194 1.00 52.41 C ATOM 1280 CG ARG A 79 5.007 12.775 -5.156 1.00 44.03 C ATOM 1281 CD ARG A 79 6.449 13.361 -5.193 1.00 31.22 C ATOM 1282 NE ARG A 79 7.125 13.178 -6.497 1.00 21.35 N ATOM 1283 CZ ARG A 79 7.665 14.139 -7.231 1.00 33.14 C ATOM 1284 NH1 ARG A 79 7.668 15.377 -6.835 1.00 11.51 N ATOM 1285 NH2 ARG A 79 8.190 13.844 -8.372 1.00 74.22 N ATOM 0 H ARG A 79 2.475 13.478 -8.642 1.00 41.24 H new ATOM 0 HA ARG A 79 5.310 13.049 -7.896 1.00 54.42 H new ATOM 0 HB2 ARG A 79 4.172 14.503 -6.160 1.00 52.41 H new ATOM 0 HB3 ARG A 79 3.019 13.210 -5.897 1.00 52.41 H new ATOM 0 HG2 ARG A 79 4.594 12.911 -4.157 1.00 44.03 H new ATOM 0 HG3 ARG A 79 5.055 11.701 -5.337 1.00 44.03 H new ATOM 0 HD2 ARG A 79 6.407 14.425 -4.960 1.00 31.22 H new ATOM 0 HD3 ARG A 79 7.046 12.888 -4.413 1.00 31.22 H new ATOM 0 HE ARG A 79 7.180 12.227 -6.863 1.00 21.35 H new ATOM 0 HH11 ARG A 79 7.248 15.627 -5.940 1.00 11.51 H new ATOM 0 HH12 ARG A 79 8.091 16.098 -7.419 1.00 11.51 H new ATOM 0 HH21 ARG A 79 8.186 12.878 -8.701 1.00 74.22 H new ATOM 0 HH22 ARG A 79 8.609 14.576 -8.945 1.00 74.22 H new ATOM 1299 N ASP A 80 2.526 11.225 -7.605 1.00 2.40 N ATOM 1300 CA ASP A 80 1.798 9.998 -8.009 1.00 4.14 C ATOM 1301 C ASP A 80 2.546 8.662 -7.720 1.00 41.14 C ATOM 1302 O ASP A 80 3.129 8.044 -8.625 1.00 1.34 O ATOM 1303 CB ASP A 80 1.383 10.115 -9.505 1.00 50.41 C ATOM 1304 CG ASP A 80 0.436 11.308 -9.764 1.00 72.53 C ATOM 1305 OD1 ASP A 80 0.916 12.464 -9.807 1.00 40.41 O ATOM 1306 OD2 ASP A 80 -0.788 11.103 -9.895 1.00 73.41 O ATOM 0 H ASP A 80 1.922 11.902 -7.138 1.00 2.40 H new ATOM 0 HA ASP A 80 0.912 9.941 -7.376 1.00 4.14 H new ATOM 0 HB2 ASP A 80 2.277 10.225 -10.119 1.00 50.41 H new ATOM 0 HB3 ASP A 80 0.893 9.192 -9.816 1.00 50.41 H new ATOM 1311 N TYR A 81 2.549 8.255 -6.439 1.00 70.44 N ATOM 1312 CA TYR A 81 3.076 6.945 -6.008 1.00 53.31 C ATOM 1313 C TYR A 81 2.428 6.511 -4.681 1.00 60.52 C ATOM 1314 O TYR A 81 1.892 7.344 -3.938 1.00 70.40 O ATOM 1315 CB TYR A 81 4.641 6.942 -5.909 1.00 72.15 C ATOM 1316 CG TYR A 81 5.289 7.683 -4.726 1.00 73.03 C ATOM 1317 CD1 TYR A 81 5.496 7.045 -3.491 1.00 72.11 C ATOM 1318 CD2 TYR A 81 5.724 9.005 -4.848 1.00 63.30 C ATOM 1319 CE1 TYR A 81 6.099 7.696 -2.436 1.00 31.44 C ATOM 1320 CE2 TYR A 81 6.328 9.657 -3.789 1.00 54.23 C ATOM 1321 CZ TYR A 81 6.514 8.999 -2.588 1.00 24.14 C ATOM 1322 OH TYR A 81 7.112 9.651 -1.535 1.00 75.24 O ATOM 0 H TYR A 81 2.187 8.823 -5.673 1.00 70.44 H new ATOM 0 HA TYR A 81 2.810 6.216 -6.773 1.00 53.31 H new ATOM 0 HB2 TYR A 81 4.972 5.904 -5.875 1.00 72.15 H new ATOM 0 HB3 TYR A 81 5.035 7.372 -6.830 1.00 72.15 H new ATOM 0 HD1 TYR A 81 5.175 6.021 -3.366 1.00 72.11 H new ATOM 0 HD2 TYR A 81 5.586 9.526 -5.784 1.00 63.30 H new ATOM 0 HE1 TYR A 81 6.245 7.186 -1.495 1.00 31.44 H new ATOM 0 HE2 TYR A 81 6.654 10.680 -3.900 1.00 54.23 H new ATOM 0 HH TYR A 81 7.347 10.563 -1.806 1.00 75.24 H new ATOM 1332 N PHE A 82 2.497 5.200 -4.389 1.00 42.24 N ATOM 1333 CA PHE A 82 1.955 4.615 -3.144 1.00 64.54 C ATOM 1334 C PHE A 82 3.057 3.850 -2.369 1.00 54.33 C ATOM 1335 O PHE A 82 3.798 3.039 -2.941 1.00 43.43 O ATOM 1336 CB PHE A 82 0.727 3.701 -3.451 1.00 71.51 C ATOM 1337 CG PHE A 82 0.976 2.524 -4.410 1.00 71.23 C ATOM 1338 CD1 PHE A 82 1.046 2.720 -5.792 1.00 53.24 C ATOM 1339 CD2 PHE A 82 1.123 1.220 -3.931 1.00 61.50 C ATOM 1340 CE1 PHE A 82 1.252 1.654 -6.654 1.00 72.10 C ATOM 1341 CE2 PHE A 82 1.327 0.156 -4.795 1.00 75.31 C ATOM 1342 CZ PHE A 82 1.393 0.374 -6.156 1.00 24.44 C ATOM 0 H PHE A 82 2.930 4.514 -5.008 1.00 42.24 H new ATOM 0 HA PHE A 82 1.609 5.427 -2.504 1.00 64.54 H new ATOM 0 HB2 PHE A 82 0.354 3.301 -2.508 1.00 71.51 H new ATOM 0 HB3 PHE A 82 -0.065 4.322 -3.870 1.00 71.51 H new ATOM 0 HD1 PHE A 82 0.938 3.716 -6.194 1.00 53.24 H new ATOM 0 HD2 PHE A 82 1.077 1.038 -2.867 1.00 61.50 H new ATOM 0 HE1 PHE A 82 1.302 1.825 -7.719 1.00 72.10 H new ATOM 0 HE2 PHE A 82 1.434 -0.845 -4.403 1.00 75.31 H new ATOM 0 HZ PHE A 82 1.555 -0.454 -6.830 1.00 24.44 H new ATOM 1352 N GLU A 83 3.182 4.162 -1.067 1.00 65.11 N ATOM 1353 CA GLU A 83 4.072 3.449 -0.132 1.00 10.13 C ATOM 1354 C GLU A 83 3.253 2.582 0.839 1.00 42.31 C ATOM 1355 O GLU A 83 2.157 2.964 1.259 1.00 44.34 O ATOM 1356 CB GLU A 83 4.939 4.442 0.694 1.00 61.24 C ATOM 1357 CG GLU A 83 5.887 3.764 1.719 1.00 54.22 C ATOM 1358 CD GLU A 83 6.490 4.735 2.744 1.00 30.35 C ATOM 1359 OE1 GLU A 83 5.841 4.994 3.782 1.00 51.35 O ATOM 1360 OE2 GLU A 83 7.614 5.237 2.529 1.00 35.24 O ATOM 0 H GLU A 83 2.663 4.923 -0.629 1.00 65.11 H new ATOM 0 HA GLU A 83 4.728 2.817 -0.731 1.00 10.13 H new ATOM 0 HB2 GLU A 83 5.536 5.043 0.007 1.00 61.24 H new ATOM 0 HB3 GLU A 83 4.279 5.127 1.226 1.00 61.24 H new ATOM 0 HG2 GLU A 83 5.337 2.987 2.249 1.00 54.22 H new ATOM 0 HG3 GLU A 83 6.696 3.271 1.180 1.00 54.22 H new ATOM 1367 N ILE A 84 3.797 1.403 1.180 1.00 20.11 N ATOM 1368 CA ILE A 84 3.260 0.542 2.243 1.00 43.02 C ATOM 1369 C ILE A 84 4.368 0.268 3.287 1.00 12.10 C ATOM 1370 O ILE A 84 5.445 -0.229 2.955 1.00 22.43 O ATOM 1371 CB ILE A 84 2.691 -0.828 1.709 1.00 0.45 C ATOM 1372 CG1 ILE A 84 1.515 -0.628 0.680 1.00 11.55 C ATOM 1373 CG2 ILE A 84 2.230 -1.710 2.896 1.00 43.21 C ATOM 1374 CD1 ILE A 84 1.925 -0.247 -0.730 1.00 12.32 C ATOM 0 H ILE A 84 4.625 1.020 0.724 1.00 20.11 H new ATOM 0 HA ILE A 84 2.423 1.076 2.692 1.00 43.02 H new ATOM 0 HB ILE A 84 3.497 -1.331 1.176 1.00 0.45 H new ATOM 0 HG12 ILE A 84 0.939 -1.552 0.633 1.00 11.55 H new ATOM 0 HG13 ILE A 84 0.849 0.144 1.065 1.00 11.55 H new ATOM 0 HG21 ILE A 84 1.839 -2.654 2.517 1.00 43.21 H new ATOM 0 HG22 ILE A 84 3.077 -1.906 3.554 1.00 43.21 H new ATOM 0 HG23 ILE A 84 1.450 -1.191 3.453 1.00 43.21 H new ATOM 0 HD11 ILE A 84 1.035 -0.136 -1.350 1.00 12.32 H new ATOM 0 HD12 ILE A 84 2.472 0.696 -0.708 1.00 12.32 H new ATOM 0 HD13 ILE A 84 2.563 -1.027 -1.147 1.00 12.32 H new ATOM 1386 N LYS A 85 4.096 0.656 4.529 1.00 42.23 N ATOM 1387 CA LYS A 85 4.938 0.367 5.703 1.00 74.23 C ATOM 1388 C LYS A 85 4.194 -0.590 6.672 1.00 13.53 C ATOM 1389 O LYS A 85 2.975 -0.512 6.800 1.00 54.23 O ATOM 1390 CB LYS A 85 5.261 1.724 6.394 1.00 33.05 C ATOM 1391 CG LYS A 85 5.948 1.644 7.777 1.00 53.22 C ATOM 1392 CD LYS A 85 6.299 3.045 8.334 1.00 32.13 C ATOM 1393 CE LYS A 85 6.919 2.989 9.737 1.00 63.44 C ATOM 1394 NZ LYS A 85 5.979 2.422 10.739 1.00 13.45 N ATOM 0 H LYS A 85 3.262 1.196 4.762 1.00 42.23 H new ATOM 0 HA LYS A 85 5.863 -0.128 5.405 1.00 74.23 H new ATOM 0 HB2 LYS A 85 5.900 2.303 5.728 1.00 33.05 H new ATOM 0 HB3 LYS A 85 4.330 2.280 6.506 1.00 33.05 H new ATOM 0 HG2 LYS A 85 5.291 1.129 8.478 1.00 53.22 H new ATOM 0 HG3 LYS A 85 6.857 1.048 7.696 1.00 53.22 H new ATOM 0 HD2 LYS A 85 6.994 3.538 7.654 1.00 32.13 H new ATOM 0 HD3 LYS A 85 5.396 3.655 8.365 1.00 32.13 H new ATOM 0 HE2 LYS A 85 7.826 2.385 9.709 1.00 63.44 H new ATOM 0 HE3 LYS A 85 7.214 3.993 10.044 1.00 63.44 H new ATOM 0 HZ1 LYS A 85 6.082 2.932 11.639 1.00 13.45 H new ATOM 0 HZ2 LYS A 85 5.003 2.522 10.395 1.00 13.45 H new ATOM 0 HZ3 LYS A 85 6.193 1.415 10.885 1.00 13.45 H new ATOM 1408 N MET A 86 4.934 -1.500 7.333 1.00 0.00 N ATOM 1409 CA MET A 86 4.422 -2.287 8.477 1.00 55.44 C ATOM 1410 C MET A 86 5.504 -2.368 9.567 1.00 30.02 C ATOM 1411 O MET A 86 6.693 -2.554 9.276 1.00 75.32 O ATOM 1412 CB MET A 86 3.935 -3.717 8.072 1.00 2.44 C ATOM 1413 CG MET A 86 4.870 -4.508 7.133 1.00 71.24 C ATOM 1414 SD MET A 86 4.412 -4.373 5.391 1.00 62.24 S ATOM 1415 CE MET A 86 2.872 -5.284 5.383 1.00 35.21 C ATOM 0 H MET A 86 5.902 -1.712 7.092 1.00 0.00 H new ATOM 0 HA MET A 86 3.543 -1.769 8.862 1.00 55.44 H new ATOM 0 HB2 MET A 86 3.787 -4.300 8.981 1.00 2.44 H new ATOM 0 HB3 MET A 86 2.962 -3.625 7.590 1.00 2.44 H new ATOM 0 HG2 MET A 86 5.891 -4.150 7.262 1.00 71.24 H new ATOM 0 HG3 MET A 86 4.862 -5.559 7.424 1.00 71.24 H new ATOM 0 HE1 MET A 86 2.966 -6.152 4.730 1.00 35.21 H new ATOM 0 HE2 MET A 86 2.640 -5.615 6.395 1.00 35.21 H new ATOM 0 HE3 MET A 86 2.071 -4.641 5.019 1.00 35.21 H new ATOM 1425 N SER A 87 5.078 -2.201 10.823 1.00 14.52 N ATOM 1426 CA SER A 87 5.972 -2.269 12.008 1.00 51.35 C ATOM 1427 C SER A 87 5.551 -3.435 12.910 1.00 64.24 C ATOM 1428 O SER A 87 4.392 -3.518 13.324 1.00 53.12 O ATOM 1429 CB SER A 87 5.946 -0.940 12.798 1.00 42.12 C ATOM 1430 OG SER A 87 6.447 0.123 12.011 1.00 21.51 O ATOM 0 H SER A 87 4.103 -2.014 11.059 1.00 14.52 H new ATOM 0 HA SER A 87 6.993 -2.434 11.663 1.00 51.35 H new ATOM 0 HB2 SER A 87 4.926 -0.717 13.110 1.00 42.12 H new ATOM 0 HB3 SER A 87 6.542 -1.039 13.705 1.00 42.12 H new ATOM 0 HG SER A 87 7.001 0.709 12.568 1.00 21.51 H new ATOM 1436 N TYR A 88 6.507 -4.316 13.242 1.00 60.30 N ATOM 1437 CA TYR A 88 6.223 -5.575 13.955 1.00 64.42 C ATOM 1438 C TYR A 88 6.580 -5.456 15.451 1.00 31.52 C ATOM 1439 O TYR A 88 7.761 -5.361 15.814 1.00 75.01 O ATOM 1440 CB TYR A 88 7.011 -6.744 13.304 1.00 62.25 C ATOM 1441 CG TYR A 88 6.683 -8.147 13.842 1.00 50.14 C ATOM 1442 CD1 TYR A 88 5.383 -8.494 14.227 1.00 1.54 C ATOM 1443 CD2 TYR A 88 7.662 -9.144 13.910 1.00 34.31 C ATOM 1444 CE1 TYR A 88 5.079 -9.764 14.658 1.00 54.02 C ATOM 1445 CE2 TYR A 88 7.357 -10.416 14.352 1.00 13.22 C ATOM 1446 CZ TYR A 88 6.064 -10.720 14.719 1.00 52.54 C ATOM 1447 OH TYR A 88 5.754 -11.991 15.138 1.00 40.44 O ATOM 0 H TYR A 88 7.494 -4.179 13.026 1.00 60.30 H new ATOM 0 HA TYR A 88 5.155 -5.779 13.878 1.00 64.42 H new ATOM 0 HB2 TYR A 88 6.822 -6.733 12.231 1.00 62.25 H new ATOM 0 HB3 TYR A 88 8.077 -6.561 13.442 1.00 62.25 H new ATOM 0 HD1 TYR A 88 4.602 -7.749 14.185 1.00 1.54 H new ATOM 0 HD2 TYR A 88 8.674 -8.915 13.611 1.00 34.31 H new ATOM 0 HE1 TYR A 88 4.068 -10.009 14.948 1.00 54.02 H new ATOM 0 HE2 TYR A 88 8.129 -11.170 14.410 1.00 13.22 H new ATOM 0 HH TYR A 88 6.561 -12.546 15.123 1.00 40.44 H new ATOM 1457 N ASN A 89 5.550 -5.437 16.313 1.00 43.44 N ATOM 1458 CA ASN A 89 5.733 -5.620 17.760 1.00 0.42 C ATOM 1459 C ASN A 89 5.992 -7.127 18.025 1.00 61.13 C ATOM 1460 O ASN A 89 5.050 -7.902 18.214 1.00 12.53 O ATOM 1461 CB ASN A 89 4.496 -5.118 18.544 1.00 14.22 C ATOM 1462 CG ASN A 89 4.110 -3.666 18.243 1.00 24.22 C ATOM 1463 OD1 ASN A 89 4.637 -2.729 18.835 1.00 34.12 O ATOM 1464 ND2 ASN A 89 3.183 -3.465 17.323 1.00 13.41 N ATOM 0 H ASN A 89 4.580 -5.296 16.031 1.00 43.44 H new ATOM 0 HA ASN A 89 6.584 -5.033 18.105 1.00 0.42 H new ATOM 0 HB2 ASN A 89 3.648 -5.763 18.315 1.00 14.22 H new ATOM 0 HB3 ASN A 89 4.692 -5.217 19.612 1.00 14.22 H new ATOM 0 HD21 ASN A 89 2.891 -2.515 17.092 1.00 13.41 H new ATOM 0 HD22 ASN A 89 2.759 -4.260 16.844 1.00 13.41 H new ATOM 1471 N GLU A 90 7.283 -7.527 17.979 1.00 70.43 N ATOM 1472 CA GLU A 90 7.729 -8.950 18.002 1.00 42.22 C ATOM 1473 C GLU A 90 7.197 -9.756 19.226 1.00 63.44 C ATOM 1474 O GLU A 90 6.980 -10.969 19.137 1.00 65.14 O ATOM 1475 CB GLU A 90 9.285 -8.996 17.970 1.00 31.14 C ATOM 1476 CG GLU A 90 9.897 -10.410 17.870 1.00 62.53 C ATOM 1477 CD GLU A 90 11.437 -10.412 17.904 1.00 61.44 C ATOM 1478 OE1 GLU A 90 12.017 -10.312 19.007 1.00 72.33 O ATOM 1479 OE2 GLU A 90 12.072 -10.494 16.830 1.00 2.11 O ATOM 0 H GLU A 90 8.059 -6.867 17.924 1.00 70.43 H new ATOM 0 HA GLU A 90 7.306 -9.430 17.120 1.00 42.22 H new ATOM 0 HB2 GLU A 90 9.633 -8.406 17.122 1.00 31.14 H new ATOM 0 HB3 GLU A 90 9.666 -8.515 18.871 1.00 31.14 H new ATOM 0 HG2 GLU A 90 9.522 -11.020 18.692 1.00 62.53 H new ATOM 0 HG3 GLU A 90 9.560 -10.879 16.946 1.00 62.53 H new ATOM 1486 N LEU A 91 6.961 -9.066 20.349 1.00 52.03 N ATOM 1487 CA LEU A 91 6.580 -9.702 21.629 1.00 20.42 C ATOM 1488 C LEU A 91 5.055 -9.953 21.763 1.00 32.51 C ATOM 1489 O LEU A 91 4.626 -10.636 22.697 1.00 71.15 O ATOM 1490 CB LEU A 91 7.094 -8.815 22.793 1.00 72.53 C ATOM 1491 CG LEU A 91 8.649 -8.707 22.917 1.00 11.33 C ATOM 1492 CD1 LEU A 91 9.064 -7.705 24.021 1.00 12.53 C ATOM 1493 CD2 LEU A 91 9.277 -10.100 23.153 1.00 31.52 C ATOM 0 H LEU A 91 7.027 -8.050 20.402 1.00 52.03 H new ATOM 0 HA LEU A 91 7.043 -10.688 21.662 1.00 20.42 H new ATOM 0 HB2 LEU A 91 6.686 -7.812 22.671 1.00 72.53 H new ATOM 0 HB3 LEU A 91 6.698 -9.208 23.729 1.00 72.53 H new ATOM 0 HG LEU A 91 9.033 -8.320 21.973 1.00 11.33 H new ATOM 0 HD11 LEU A 91 10.151 -7.656 24.078 1.00 12.53 H new ATOM 0 HD12 LEU A 91 8.669 -6.717 23.783 1.00 12.53 H new ATOM 0 HD13 LEU A 91 8.665 -8.034 24.980 1.00 12.53 H new ATOM 0 HD21 LEU A 91 10.359 -10.002 23.236 1.00 31.52 H new ATOM 0 HD22 LEU A 91 8.879 -10.527 24.074 1.00 31.52 H new ATOM 0 HD23 LEU A 91 9.036 -10.755 22.316 1.00 31.52 H new ATOM 1505 N THR A 92 4.243 -9.414 20.827 1.00 75.44 N ATOM 1506 CA THR A 92 2.753 -9.547 20.893 1.00 31.23 C ATOM 1507 C THR A 92 2.101 -9.909 19.526 1.00 10.52 C ATOM 1508 O THR A 92 0.942 -10.334 19.482 1.00 71.33 O ATOM 1509 CB THR A 92 2.092 -8.250 21.481 1.00 34.34 C ATOM 1510 OG1 THR A 92 0.669 -8.423 21.603 1.00 61.44 O ATOM 1511 CG2 THR A 92 2.391 -7.003 20.624 1.00 10.01 C ATOM 0 H THR A 92 4.580 -8.887 20.022 1.00 75.44 H new ATOM 0 HA THR A 92 2.562 -10.384 21.565 1.00 31.23 H new ATOM 0 HB THR A 92 2.528 -8.089 22.467 1.00 34.34 H new ATOM 0 HG1 THR A 92 0.223 -8.023 20.828 1.00 61.44 H new ATOM 0 HG21 THR A 92 1.913 -6.131 21.071 1.00 10.01 H new ATOM 0 HG22 THR A 92 3.468 -6.843 20.578 1.00 10.01 H new ATOM 0 HG23 THR A 92 2.004 -7.153 19.616 1.00 10.01 H new ATOM 1519 N GLY A 93 2.841 -9.743 18.417 1.00 74.41 N ATOM 1520 CA GLY A 93 2.346 -10.120 17.070 1.00 20.22 C ATOM 1521 C GLY A 93 1.584 -9.019 16.315 1.00 52.44 C ATOM 1522 O GLY A 93 1.236 -9.207 15.143 1.00 62.24 O ATOM 0 H GLY A 93 3.783 -9.352 18.420 1.00 74.41 H new ATOM 0 HA2 GLY A 93 3.196 -10.431 16.463 1.00 20.22 H new ATOM 0 HA3 GLY A 93 1.692 -10.986 17.171 1.00 20.22 H new ATOM 1526 N ASP A 94 1.317 -7.884 16.979 1.00 2.53 N ATOM 1527 CA ASP A 94 0.593 -6.743 16.369 1.00 44.21 C ATOM 1528 C ASP A 94 1.444 -6.005 15.303 1.00 53.43 C ATOM 1529 O ASP A 94 2.653 -5.801 15.485 1.00 22.01 O ATOM 1530 CB ASP A 94 0.151 -5.748 17.472 1.00 33.23 C ATOM 1531 CG ASP A 94 -0.946 -6.317 18.391 1.00 3.40 C ATOM 1532 OD1 ASP A 94 -0.656 -7.233 19.188 1.00 22.51 O ATOM 1533 OD2 ASP A 94 -2.108 -5.860 18.314 1.00 62.34 O ATOM 0 H ASP A 94 1.592 -7.725 17.948 1.00 2.53 H new ATOM 0 HA ASP A 94 -0.282 -7.148 15.862 1.00 44.21 H new ATOM 0 HB2 ASP A 94 1.017 -5.475 18.075 1.00 33.23 H new ATOM 0 HB3 ASP A 94 -0.213 -4.833 17.004 1.00 33.23 H new ATOM 1538 N TYR A 95 0.786 -5.605 14.198 1.00 60.22 N ATOM 1539 CA TYR A 95 1.395 -4.797 13.115 1.00 65.43 C ATOM 1540 C TYR A 95 0.784 -3.386 13.070 1.00 23.52 C ATOM 1541 O TYR A 95 -0.435 -3.234 13.040 1.00 61.31 O ATOM 1542 CB TYR A 95 1.192 -5.498 11.736 1.00 32.50 C ATOM 1543 CG TYR A 95 2.175 -6.642 11.487 1.00 63.44 C ATOM 1544 CD1 TYR A 95 1.948 -7.917 12.000 1.00 43.14 C ATOM 1545 CD2 TYR A 95 3.351 -6.429 10.760 1.00 73.24 C ATOM 1546 CE1 TYR A 95 2.852 -8.936 11.793 1.00 55.24 C ATOM 1547 CE2 TYR A 95 4.253 -7.445 10.545 1.00 70.14 C ATOM 1548 CZ TYR A 95 4.001 -8.699 11.068 1.00 64.42 C ATOM 1549 OH TYR A 95 4.896 -9.728 10.861 1.00 24.32 O ATOM 0 H TYR A 95 -0.193 -5.834 14.027 1.00 60.22 H new ATOM 0 HA TYR A 95 2.461 -4.709 13.322 1.00 65.43 H new ATOM 0 HB2 TYR A 95 0.174 -5.884 11.679 1.00 32.50 H new ATOM 0 HB3 TYR A 95 1.297 -4.759 10.942 1.00 32.50 H new ATOM 0 HD1 TYR A 95 1.050 -8.110 12.568 1.00 43.14 H new ATOM 0 HD2 TYR A 95 3.555 -5.447 10.359 1.00 73.24 H new ATOM 0 HE1 TYR A 95 2.661 -9.919 12.198 1.00 55.24 H new ATOM 0 HE2 TYR A 95 5.151 -7.264 9.972 1.00 70.14 H new ATOM 0 HH TYR A 95 5.433 -9.862 11.670 1.00 24.32 H new ATOM 1559 N VAL A 96 1.650 -2.358 13.060 1.00 0.01 N ATOM 1560 CA VAL A 96 1.254 -0.975 12.749 1.00 12.31 C ATOM 1561 C VAL A 96 1.418 -0.770 11.225 1.00 32.20 C ATOM 1562 O VAL A 96 2.529 -0.548 10.724 1.00 24.44 O ATOM 1563 CB VAL A 96 2.119 0.060 13.563 1.00 10.31 C ATOM 1564 CG1 VAL A 96 1.704 1.525 13.258 1.00 14.40 C ATOM 1565 CG2 VAL A 96 2.038 -0.240 15.084 1.00 22.41 C ATOM 0 H VAL A 96 2.643 -2.463 13.267 1.00 0.01 H new ATOM 0 HA VAL A 96 0.217 -0.806 13.038 1.00 12.31 H new ATOM 0 HB VAL A 96 3.156 -0.051 13.245 1.00 10.31 H new ATOM 0 HG11 VAL A 96 2.324 2.207 13.839 1.00 14.40 H new ATOM 0 HG12 VAL A 96 1.839 1.728 12.196 1.00 14.40 H new ATOM 0 HG13 VAL A 96 0.657 1.670 13.525 1.00 14.40 H new ATOM 0 HG21 VAL A 96 2.641 0.485 15.630 1.00 22.41 H new ATOM 0 HG22 VAL A 96 1.001 -0.171 15.414 1.00 22.41 H new ATOM 0 HG23 VAL A 96 2.414 -1.245 15.277 1.00 22.41 H new ATOM 1575 N LEU A 97 0.302 -0.910 10.502 1.00 60.32 N ATOM 1576 CA LEU A 97 0.277 -0.935 9.027 1.00 24.11 C ATOM 1577 C LEU A 97 -0.110 0.457 8.480 1.00 72.21 C ATOM 1578 O LEU A 97 -1.262 0.852 8.552 1.00 13.31 O ATOM 1579 CB LEU A 97 -0.730 -2.027 8.559 1.00 3.22 C ATOM 1580 CG LEU A 97 -0.844 -2.257 7.025 1.00 61.10 C ATOM 1581 CD1 LEU A 97 0.506 -2.691 6.422 1.00 44.43 C ATOM 1582 CD2 LEU A 97 -1.967 -3.272 6.696 1.00 55.03 C ATOM 0 H LEU A 97 -0.621 -1.011 10.924 1.00 60.32 H new ATOM 0 HA LEU A 97 1.266 -1.179 8.639 1.00 24.11 H new ATOM 0 HB2 LEU A 97 -0.450 -2.971 9.025 1.00 3.22 H new ATOM 0 HB3 LEU A 97 -1.718 -1.765 8.939 1.00 3.22 H new ATOM 0 HG LEU A 97 -1.114 -1.307 6.564 1.00 61.10 H new ATOM 0 HD11 LEU A 97 0.393 -2.844 5.349 1.00 44.43 H new ATOM 0 HD12 LEU A 97 1.251 -1.916 6.602 1.00 44.43 H new ATOM 0 HD13 LEU A 97 0.831 -3.621 6.889 1.00 44.43 H new ATOM 0 HD21 LEU A 97 -2.025 -3.414 5.617 1.00 55.03 H new ATOM 0 HD22 LEU A 97 -1.748 -4.226 7.176 1.00 55.03 H new ATOM 0 HD23 LEU A 97 -2.920 -2.892 7.063 1.00 55.03 H new ATOM 1594 N GLU A 98 0.864 1.163 7.893 1.00 41.24 N ATOM 1595 CA GLU A 98 0.718 2.579 7.484 1.00 62.12 C ATOM 1596 C GLU A 98 0.912 2.731 5.961 1.00 62.35 C ATOM 1597 O GLU A 98 2.027 2.598 5.449 1.00 54.44 O ATOM 1598 CB GLU A 98 1.739 3.464 8.246 1.00 61.15 C ATOM 1599 CG GLU A 98 1.542 3.507 9.777 1.00 50.14 C ATOM 1600 CD GLU A 98 2.584 4.392 10.479 1.00 30.24 C ATOM 1601 OE1 GLU A 98 2.517 5.632 10.322 1.00 61.13 O ATOM 1602 OE2 GLU A 98 3.476 3.858 11.173 1.00 62.14 O ATOM 0 H GLU A 98 1.783 0.773 7.684 1.00 41.24 H new ATOM 0 HA GLU A 98 -0.291 2.907 7.735 1.00 62.12 H new ATOM 0 HB2 GLU A 98 2.744 3.100 8.033 1.00 61.15 H new ATOM 0 HB3 GLU A 98 1.679 4.481 7.857 1.00 61.15 H new ATOM 0 HG2 GLU A 98 0.543 3.880 10.001 1.00 50.14 H new ATOM 0 HG3 GLU A 98 1.601 2.495 10.176 1.00 50.14 H new ATOM 1609 N ILE A 99 -0.183 3.011 5.246 1.00 50.20 N ATOM 1610 CA ILE A 99 -0.163 3.193 3.781 1.00 11.11 C ATOM 1611 C ILE A 99 -0.015 4.707 3.463 1.00 21.31 C ATOM 1612 O ILE A 99 -0.911 5.496 3.762 1.00 70.02 O ATOM 1613 CB ILE A 99 -1.495 2.606 3.123 1.00 31.43 C ATOM 1614 CG1 ILE A 99 -1.525 1.028 3.132 1.00 64.05 C ATOM 1615 CG2 ILE A 99 -1.698 3.129 1.669 1.00 4.42 C ATOM 1616 CD1 ILE A 99 -1.586 0.362 4.495 1.00 72.21 C ATOM 0 H ILE A 99 -1.109 3.119 5.661 1.00 50.20 H new ATOM 0 HA ILE A 99 0.682 2.650 3.359 1.00 11.11 H new ATOM 0 HB ILE A 99 -2.318 2.963 3.742 1.00 31.43 H new ATOM 0 HG12 ILE A 99 -2.388 0.699 2.552 1.00 64.05 H new ATOM 0 HG13 ILE A 99 -0.636 0.666 2.614 1.00 64.05 H new ATOM 0 HG21 ILE A 99 -2.614 2.708 1.255 1.00 4.42 H new ATOM 0 HG22 ILE A 99 -1.772 4.216 1.680 1.00 4.42 H new ATOM 0 HG23 ILE A 99 -0.850 2.829 1.053 1.00 4.42 H new ATOM 0 HD11 ILE A 99 -1.602 -0.721 4.371 1.00 72.21 H new ATOM 0 HD12 ILE A 99 -0.711 0.647 5.079 1.00 72.21 H new ATOM 0 HD13 ILE A 99 -2.489 0.681 5.016 1.00 72.21 H new ATOM 1628 N THR A 100 1.131 5.099 2.869 1.00 52.13 N ATOM 1629 CA THR A 100 1.400 6.504 2.483 1.00 40.23 C ATOM 1630 C THR A 100 0.966 6.763 1.021 1.00 51.01 C ATOM 1631 O THR A 100 1.659 6.399 0.071 1.00 14.44 O ATOM 1632 CB THR A 100 2.913 6.868 2.686 1.00 42.25 C ATOM 1633 OG1 THR A 100 3.259 6.742 4.073 1.00 61.20 O ATOM 1634 CG2 THR A 100 3.265 8.291 2.211 1.00 22.51 C ATOM 0 H THR A 100 1.892 4.458 2.644 1.00 52.13 H new ATOM 0 HA THR A 100 0.811 7.149 3.135 1.00 40.23 H new ATOM 0 HB THR A 100 3.485 6.170 2.074 1.00 42.25 H new ATOM 0 HG1 THR A 100 4.081 6.216 4.159 1.00 61.20 H new ATOM 0 HG21 THR A 100 4.325 8.479 2.380 1.00 22.51 H new ATOM 0 HG22 THR A 100 3.044 8.385 1.148 1.00 22.51 H new ATOM 0 HG23 THR A 100 2.675 9.017 2.769 1.00 22.51 H new ATOM 1642 N ASP A 101 -0.211 7.375 0.873 1.00 51.14 N ATOM 1643 CA ASP A 101 -0.800 7.751 -0.424 1.00 33.14 C ATOM 1644 C ASP A 101 -0.831 9.296 -0.562 1.00 23.41 C ATOM 1645 O ASP A 101 -0.809 10.018 0.436 1.00 11.35 O ATOM 1646 CB ASP A 101 -2.218 7.126 -0.505 1.00 5.15 C ATOM 1647 CG ASP A 101 -3.040 7.610 -1.707 1.00 20.00 C ATOM 1648 OD1 ASP A 101 -2.634 7.350 -2.865 1.00 73.34 O ATOM 1649 OD2 ASP A 101 -4.088 8.265 -1.504 1.00 33.40 O ATOM 0 H ASP A 101 -0.798 7.631 1.667 1.00 51.14 H new ATOM 0 HA ASP A 101 -0.201 7.372 -1.253 1.00 33.14 H new ATOM 0 HB2 ASP A 101 -2.125 6.041 -0.554 1.00 5.15 H new ATOM 0 HB3 ASP A 101 -2.760 7.358 0.412 1.00 5.15 H new ATOM 1654 N PHE A 102 -0.857 9.797 -1.813 1.00 44.44 N ATOM 1655 CA PHE A 102 -0.940 11.248 -2.108 1.00 30.14 C ATOM 1656 C PHE A 102 -2.262 11.561 -2.837 1.00 3.24 C ATOM 1657 O PHE A 102 -2.494 11.078 -3.949 1.00 55.21 O ATOM 1658 CB PHE A 102 0.274 11.704 -2.972 1.00 62.00 C ATOM 1659 CG PHE A 102 1.616 11.658 -2.235 1.00 62.43 C ATOM 1660 CD1 PHE A 102 2.314 10.460 -2.087 1.00 11.51 C ATOM 1661 CD2 PHE A 102 2.169 12.816 -1.670 1.00 13.31 C ATOM 1662 CE1 PHE A 102 3.513 10.416 -1.401 1.00 70.25 C ATOM 1663 CE2 PHE A 102 3.369 12.766 -0.982 1.00 35.12 C ATOM 1664 CZ PHE A 102 4.042 11.568 -0.848 1.00 70.44 C ATOM 0 H PHE A 102 -0.821 9.212 -2.648 1.00 44.44 H new ATOM 0 HA PHE A 102 -0.915 11.797 -1.167 1.00 30.14 H new ATOM 0 HB2 PHE A 102 0.335 11.070 -3.857 1.00 62.00 H new ATOM 0 HB3 PHE A 102 0.097 12.722 -3.320 1.00 62.00 H new ATOM 0 HD1 PHE A 102 1.912 9.553 -2.515 1.00 11.51 H new ATOM 0 HD2 PHE A 102 1.652 13.759 -1.773 1.00 13.31 H new ATOM 0 HE1 PHE A 102 4.039 9.478 -1.296 1.00 70.25 H new ATOM 0 HE2 PHE A 102 3.780 13.666 -0.549 1.00 35.12 H new ATOM 0 HZ PHE A 102 4.979 11.531 -0.313 1.00 70.44 H new ATOM 1674 N SER A 103 -3.092 12.413 -2.220 1.00 3.34 N ATOM 1675 CA SER A 103 -4.411 12.808 -2.758 1.00 70.14 C ATOM 1676 C SER A 103 -4.594 14.327 -2.647 1.00 35.22 C ATOM 1677 O SER A 103 -4.355 14.896 -1.577 1.00 52.30 O ATOM 1678 CB SER A 103 -5.554 12.100 -1.989 1.00 55.11 C ATOM 1679 OG SER A 103 -5.546 10.702 -2.216 1.00 70.04 O ATOM 0 H SER A 103 -2.870 12.853 -1.327 1.00 3.34 H new ATOM 0 HA SER A 103 -4.450 12.509 -3.806 1.00 70.14 H new ATOM 0 HB2 SER A 103 -5.452 12.297 -0.922 1.00 55.11 H new ATOM 0 HB3 SER A 103 -6.513 12.514 -2.299 1.00 55.11 H new ATOM 0 HG SER A 103 -4.816 10.292 -1.706 1.00 70.04 H new ATOM 1685 N GLU A 104 -5.007 14.961 -3.765 1.00 11.24 N ATOM 1686 CA GLU A 104 -5.358 16.411 -3.844 1.00 14.23 C ATOM 1687 C GLU A 104 -6.210 16.891 -2.634 1.00 45.21 C ATOM 1688 O GLU A 104 -7.056 16.147 -2.142 1.00 63.33 O ATOM 1689 CB GLU A 104 -6.109 16.662 -5.191 1.00 40.35 C ATOM 1690 CG GLU A 104 -5.210 16.925 -6.420 1.00 21.53 C ATOM 1691 CD GLU A 104 -4.572 18.326 -6.426 1.00 61.24 C ATOM 1692 OE1 GLU A 104 -3.475 18.502 -5.871 1.00 41.30 O ATOM 1693 OE2 GLU A 104 -5.169 19.264 -6.995 1.00 22.34 O ATOM 0 H GLU A 104 -5.110 14.479 -4.658 1.00 11.24 H new ATOM 0 HA GLU A 104 -4.437 16.993 -3.807 1.00 14.23 H new ATOM 0 HB2 GLU A 104 -6.738 15.797 -5.402 1.00 40.35 H new ATOM 0 HB3 GLU A 104 -6.774 17.515 -5.061 1.00 40.35 H new ATOM 0 HG2 GLU A 104 -4.420 16.175 -6.449 1.00 21.53 H new ATOM 0 HG3 GLU A 104 -5.802 16.800 -7.327 1.00 21.53 H new ATOM 1700 N ALA A 105 -5.942 18.127 -2.155 1.00 43.31 N ATOM 1701 CA ALA A 105 -6.601 18.716 -0.950 1.00 31.13 C ATOM 1702 C ALA A 105 -8.156 18.585 -0.943 1.00 60.21 C ATOM 1703 O ALA A 105 -8.754 18.237 0.087 1.00 24.35 O ATOM 1704 CB ALA A 105 -6.192 20.190 -0.805 1.00 13.33 C ATOM 0 H ALA A 105 -5.262 18.751 -2.589 1.00 43.31 H new ATOM 0 HA ALA A 105 -6.252 18.135 -0.096 1.00 31.13 H new ATOM 0 HB1 ALA A 105 -6.674 20.617 0.075 1.00 13.33 H new ATOM 0 HB2 ALA A 105 -5.110 20.258 -0.694 1.00 13.33 H new ATOM 0 HB3 ALA A 105 -6.501 20.742 -1.692 1.00 13.33 H new ATOM 1710 N ASP A 106 -8.790 18.865 -2.099 1.00 51.40 N ATOM 1711 CA ASP A 106 -10.267 18.738 -2.276 1.00 62.22 C ATOM 1712 C ASP A 106 -10.754 17.260 -2.207 1.00 63.51 C ATOM 1713 O ASP A 106 -11.898 16.981 -1.837 1.00 24.20 O ATOM 1714 CB ASP A 106 -10.687 19.390 -3.616 1.00 63.23 C ATOM 1715 CG ASP A 106 -12.207 19.620 -3.721 1.00 31.42 C ATOM 1716 OD1 ASP A 106 -12.710 20.559 -3.068 1.00 23.33 O ATOM 1717 OD2 ASP A 106 -12.902 18.878 -4.446 1.00 13.25 O ATOM 0 H ASP A 106 -8.304 19.184 -2.937 1.00 51.40 H new ATOM 0 HA ASP A 106 -10.745 19.260 -1.447 1.00 62.22 H new ATOM 0 HB2 ASP A 106 -10.172 20.344 -3.727 1.00 63.23 H new ATOM 0 HB3 ASP A 106 -10.363 18.755 -4.440 1.00 63.23 H new ATOM 1722 N GLU A 107 -9.847 16.322 -2.514 1.00 51.22 N ATOM 1723 CA GLU A 107 -10.146 14.865 -2.557 1.00 54.15 C ATOM 1724 C GLU A 107 -9.757 14.175 -1.228 1.00 61.54 C ATOM 1725 O GLU A 107 -10.188 13.053 -0.957 1.00 13.51 O ATOM 1726 CB GLU A 107 -9.380 14.211 -3.744 1.00 22.11 C ATOM 1727 CG GLU A 107 -9.607 14.898 -5.110 1.00 40.15 C ATOM 1728 CD GLU A 107 -11.087 14.937 -5.549 1.00 15.02 C ATOM 1729 OE1 GLU A 107 -11.590 13.910 -6.054 1.00 62.42 O ATOM 1730 OE2 GLU A 107 -11.752 15.988 -5.397 1.00 62.35 O ATOM 0 H GLU A 107 -8.878 16.543 -2.742 1.00 51.22 H new ATOM 0 HA GLU A 107 -11.219 14.737 -2.699 1.00 54.15 H new ATOM 0 HB2 GLU A 107 -8.313 14.219 -3.520 1.00 22.11 H new ATOM 0 HB3 GLU A 107 -9.681 13.166 -3.823 1.00 22.11 H new ATOM 0 HG2 GLU A 107 -9.225 15.918 -5.061 1.00 40.15 H new ATOM 0 HG3 GLU A 107 -9.026 14.376 -5.870 1.00 40.15 H new ATOM 1737 N ALA A 108 -8.968 14.884 -0.394 1.00 31.23 N ATOM 1738 CA ALA A 108 -8.370 14.327 0.844 1.00 55.12 C ATOM 1739 C ALA A 108 -9.442 13.952 1.896 1.00 44.13 C ATOM 1740 O ALA A 108 -9.295 12.954 2.603 1.00 21.12 O ATOM 1741 CB ALA A 108 -7.357 15.318 1.427 1.00 43.24 C ATOM 0 H ALA A 108 -8.725 15.861 -0.558 1.00 31.23 H new ATOM 0 HA ALA A 108 -7.856 13.404 0.577 1.00 55.12 H new ATOM 0 HB1 ALA A 108 -6.922 14.902 2.336 1.00 43.24 H new ATOM 0 HB2 ALA A 108 -6.567 15.502 0.698 1.00 43.24 H new ATOM 0 HB3 ALA A 108 -7.860 16.256 1.662 1.00 43.24 H new ATOM 1747 N ASP A 109 -10.525 14.759 1.977 1.00 62.23 N ATOM 1748 CA ASP A 109 -11.681 14.482 2.869 1.00 72.34 C ATOM 1749 C ASP A 109 -12.398 13.158 2.491 1.00 61.42 C ATOM 1750 O ASP A 109 -12.840 12.418 3.375 1.00 21.42 O ATOM 1751 CB ASP A 109 -12.676 15.671 2.837 1.00 41.13 C ATOM 1752 CG ASP A 109 -13.960 15.420 3.658 1.00 30.42 C ATOM 1753 OD1 ASP A 109 -13.894 15.438 4.907 1.00 13.34 O ATOM 1754 OD2 ASP A 109 -15.037 15.192 3.058 1.00 10.34 O ATOM 0 H ASP A 109 -10.625 15.615 1.431 1.00 62.23 H new ATOM 0 HA ASP A 109 -11.299 14.364 3.883 1.00 72.34 H new ATOM 0 HB2 ASP A 109 -12.178 16.562 3.219 1.00 41.13 H new ATOM 0 HB3 ASP A 109 -12.950 15.878 1.802 1.00 41.13 H new ATOM 1759 N ASP A 110 -12.507 12.879 1.178 1.00 3.21 N ATOM 1760 CA ASP A 110 -13.117 11.626 0.669 1.00 32.20 C ATOM 1761 C ASP A 110 -12.260 10.397 1.072 1.00 24.53 C ATOM 1762 O ASP A 110 -12.787 9.341 1.423 1.00 71.44 O ATOM 1763 CB ASP A 110 -13.288 11.702 -0.872 1.00 61.34 C ATOM 1764 CG ASP A 110 -14.120 10.536 -1.436 1.00 13.33 C ATOM 1765 OD1 ASP A 110 -13.546 9.482 -1.782 1.00 75.30 O ATOM 1766 OD2 ASP A 110 -15.360 10.659 -1.504 1.00 60.01 O ATOM 0 H ASP A 110 -12.180 13.506 0.443 1.00 3.21 H new ATOM 0 HA ASP A 110 -14.103 11.509 1.119 1.00 32.20 H new ATOM 0 HB2 ASP A 110 -13.768 12.645 -1.134 1.00 61.34 H new ATOM 0 HB3 ASP A 110 -12.305 11.703 -1.343 1.00 61.34 H new ATOM 1771 N LEU A 111 -10.932 10.563 1.020 1.00 34.30 N ATOM 1772 CA LEU A 111 -9.967 9.539 1.480 1.00 55.03 C ATOM 1773 C LEU A 111 -10.031 9.329 3.015 1.00 33.32 C ATOM 1774 O LEU A 111 -9.834 8.218 3.505 1.00 32.41 O ATOM 1775 CB LEU A 111 -8.528 9.926 1.031 1.00 2.50 C ATOM 1776 CG LEU A 111 -8.090 9.459 -0.400 1.00 34.05 C ATOM 1777 CD1 LEU A 111 -8.029 7.919 -0.494 1.00 41.35 C ATOM 1778 CD2 LEU A 111 -8.995 10.052 -1.505 1.00 23.15 C ATOM 0 H LEU A 111 -10.490 11.408 0.659 1.00 34.30 H new ATOM 0 HA LEU A 111 -10.240 8.590 1.019 1.00 55.03 H new ATOM 0 HB2 LEU A 111 -8.437 11.011 1.078 1.00 2.50 H new ATOM 0 HB3 LEU A 111 -7.823 9.515 1.754 1.00 2.50 H new ATOM 0 HG LEU A 111 -7.084 9.844 -0.568 1.00 34.05 H new ATOM 0 HD11 LEU A 111 -7.722 7.628 -1.499 1.00 41.35 H new ATOM 0 HD12 LEU A 111 -7.308 7.539 0.230 1.00 41.35 H new ATOM 0 HD13 LEU A 111 -9.013 7.502 -0.280 1.00 41.35 H new ATOM 0 HD21 LEU A 111 -8.655 9.702 -2.480 1.00 23.15 H new ATOM 0 HD22 LEU A 111 -10.024 9.732 -1.343 1.00 23.15 H new ATOM 0 HD23 LEU A 111 -8.944 11.140 -1.472 1.00 23.15 H new ATOM 1790 N LYS A 112 -10.285 10.419 3.757 1.00 50.02 N ATOM 1791 CA LYS A 112 -10.502 10.377 5.228 1.00 51.04 C ATOM 1792 C LYS A 112 -11.879 9.764 5.588 1.00 43.21 C ATOM 1793 O LYS A 112 -12.047 9.207 6.671 1.00 52.13 O ATOM 1794 CB LYS A 112 -10.329 11.783 5.863 1.00 21.10 C ATOM 1795 CG LYS A 112 -8.902 12.369 5.727 1.00 24.31 C ATOM 1796 CD LYS A 112 -7.810 11.478 6.377 1.00 75.42 C ATOM 1797 CE LYS A 112 -6.392 12.061 6.209 1.00 1.22 C ATOM 1798 NZ LYS A 112 -6.230 13.372 6.896 1.00 51.43 N ATOM 0 H LYS A 112 -10.347 11.358 3.363 1.00 50.02 H new ATOM 0 HA LYS A 112 -9.737 9.725 5.649 1.00 51.04 H new ATOM 0 HB2 LYS A 112 -11.037 12.469 5.398 1.00 21.10 H new ATOM 0 HB3 LYS A 112 -10.587 11.726 6.920 1.00 21.10 H new ATOM 0 HG2 LYS A 112 -8.671 12.503 4.670 1.00 24.31 H new ATOM 0 HG3 LYS A 112 -8.877 13.357 6.187 1.00 24.31 H new ATOM 0 HD2 LYS A 112 -8.027 11.360 7.439 1.00 75.42 H new ATOM 0 HD3 LYS A 112 -7.845 10.484 5.932 1.00 75.42 H new ATOM 0 HE2 LYS A 112 -5.663 11.354 6.605 1.00 1.22 H new ATOM 0 HE3 LYS A 112 -6.175 12.181 5.148 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 -5.243 13.689 6.811 1.00 51.43 H new ATOM 0 HZ2 LYS A 112 -6.858 14.074 6.456 1.00 51.43 H new ATOM 0 HZ3 LYS A 112 -6.475 13.270 7.901 1.00 51.43 H new ATOM 1812 N GLU A 113 -12.861 9.920 4.683 1.00 23.12 N ATOM 1813 CA GLU A 113 -14.185 9.250 4.774 1.00 33.11 C ATOM 1814 C GLU A 113 -14.020 7.713 4.668 1.00 2.34 C ATOM 1815 O GLU A 113 -14.605 6.951 5.449 1.00 64.52 O ATOM 1816 CB GLU A 113 -15.114 9.786 3.643 1.00 42.33 C ATOM 1817 CG GLU A 113 -16.491 9.099 3.509 1.00 11.22 C ATOM 1818 CD GLU A 113 -17.398 9.288 4.736 1.00 32.41 C ATOM 1819 OE1 GLU A 113 -17.979 10.381 4.890 1.00 73.41 O ATOM 1820 OE2 GLU A 113 -17.528 8.347 5.555 1.00 72.14 O ATOM 0 H GLU A 113 -12.765 10.516 3.861 1.00 23.12 H new ATOM 0 HA GLU A 113 -14.638 9.473 5.740 1.00 33.11 H new ATOM 0 HB2 GLU A 113 -15.277 10.851 3.809 1.00 42.33 H new ATOM 0 HB3 GLU A 113 -14.589 9.689 2.693 1.00 42.33 H new ATOM 0 HG2 GLU A 113 -16.999 9.492 2.629 1.00 11.22 H new ATOM 0 HG3 GLU A 113 -16.340 8.033 3.340 1.00 11.22 H new ATOM 1827 N LEU A 114 -13.200 7.286 3.682 1.00 54.21 N ATOM 1828 CA LEU A 114 -12.799 5.869 3.512 1.00 3.14 C ATOM 1829 C LEU A 114 -12.052 5.364 4.772 1.00 12.42 C ATOM 1830 O LEU A 114 -12.378 4.312 5.315 1.00 32.13 O ATOM 1831 CB LEU A 114 -11.896 5.720 2.256 1.00 63.33 C ATOM 1832 CG LEU A 114 -11.336 4.287 1.969 1.00 13.30 C ATOM 1833 CD1 LEU A 114 -12.470 3.269 1.700 1.00 20.44 C ATOM 1834 CD2 LEU A 114 -10.309 4.305 0.812 1.00 32.11 C ATOM 0 H LEU A 114 -12.798 7.911 2.983 1.00 54.21 H new ATOM 0 HA LEU A 114 -13.696 5.265 3.377 1.00 3.14 H new ATOM 0 HB2 LEU A 114 -12.465 6.045 1.385 1.00 63.33 H new ATOM 0 HB3 LEU A 114 -11.052 6.403 2.359 1.00 63.33 H new ATOM 0 HG LEU A 114 -10.816 3.959 2.869 1.00 13.30 H new ATOM 0 HD11 LEU A 114 -12.039 2.287 1.505 1.00 20.44 H new ATOM 0 HD12 LEU A 114 -13.123 3.213 2.571 1.00 20.44 H new ATOM 0 HD13 LEU A 114 -13.049 3.589 0.834 1.00 20.44 H new ATOM 0 HD21 LEU A 114 -9.939 3.295 0.638 1.00 32.11 H new ATOM 0 HD22 LEU A 114 -10.788 4.677 -0.094 1.00 32.11 H new ATOM 0 HD23 LEU A 114 -9.475 4.956 1.076 1.00 32.11 H new ATOM 1846 N TRP A 115 -11.077 6.171 5.228 1.00 44.44 N ATOM 1847 CA TRP A 115 -10.269 5.907 6.445 1.00 35.43 C ATOM 1848 C TRP A 115 -11.164 5.674 7.693 1.00 13.41 C ATOM 1849 O TRP A 115 -10.981 4.691 8.414 1.00 73.34 O ATOM 1850 CB TRP A 115 -9.268 7.091 6.667 1.00 54.40 C ATOM 1851 CG TRP A 115 -8.702 7.240 8.071 1.00 21.12 C ATOM 1852 CD1 TRP A 115 -8.828 8.331 8.895 1.00 70.40 C ATOM 1853 CD2 TRP A 115 -7.945 6.270 8.817 1.00 51.54 C ATOM 1854 NE1 TRP A 115 -8.205 8.098 10.089 1.00 72.11 N ATOM 1855 CE2 TRP A 115 -7.659 6.844 10.071 1.00 71.20 C ATOM 1856 CE3 TRP A 115 -7.492 4.972 8.551 1.00 52.42 C ATOM 1857 CZ2 TRP A 115 -6.938 6.172 11.049 1.00 10.15 C ATOM 1858 CZ3 TRP A 115 -6.778 4.308 9.523 1.00 61.32 C ATOM 1859 CH2 TRP A 115 -6.511 4.909 10.760 1.00 11.55 C ATOM 0 H TRP A 115 -10.820 7.039 4.758 1.00 44.44 H new ATOM 0 HA TRP A 115 -9.704 4.987 6.298 1.00 35.43 H new ATOM 0 HB2 TRP A 115 -8.436 6.970 5.974 1.00 54.40 H new ATOM 0 HB3 TRP A 115 -9.772 8.020 6.401 1.00 54.40 H new ATOM 0 HD1 TRP A 115 -9.345 9.243 8.637 1.00 70.40 H new ATOM 0 HE1 TRP A 115 -8.155 8.754 10.868 1.00 72.11 H new ATOM 0 HE3 TRP A 115 -7.699 4.501 7.601 1.00 52.42 H new ATOM 0 HZ2 TRP A 115 -6.723 6.632 12.002 1.00 10.15 H new ATOM 0 HZ3 TRP A 115 -6.418 3.308 9.329 1.00 61.32 H new ATOM 0 HH2 TRP A 115 -5.953 4.359 11.503 1.00 11.55 H new ATOM 1870 N ASP A 116 -12.129 6.580 7.910 1.00 45.32 N ATOM 1871 CA ASP A 116 -13.067 6.535 9.054 1.00 44.23 C ATOM 1872 C ASP A 116 -13.941 5.259 9.008 1.00 4.11 C ATOM 1873 O ASP A 116 -14.186 4.615 10.037 1.00 34.14 O ATOM 1874 CB ASP A 116 -13.936 7.818 9.041 1.00 73.32 C ATOM 1875 CG ASP A 116 -14.952 7.883 10.189 1.00 41.43 C ATOM 1876 OD1 ASP A 116 -14.533 8.041 11.353 1.00 51.02 O ATOM 1877 OD2 ASP A 116 -16.172 7.768 9.938 1.00 64.31 O ATOM 0 H ASP A 116 -12.286 7.376 7.292 1.00 45.32 H new ATOM 0 HA ASP A 116 -12.502 6.496 9.985 1.00 44.23 H new ATOM 0 HB2 ASP A 116 -13.283 8.689 9.095 1.00 73.32 H new ATOM 0 HB3 ASP A 116 -14.469 7.877 8.092 1.00 73.32 H new ATOM 1882 N SER A 117 -14.376 4.902 7.788 1.00 0.31 N ATOM 1883 CA SER A 117 -15.143 3.663 7.516 1.00 12.23 C ATOM 1884 C SER A 117 -14.323 2.398 7.871 1.00 30.24 C ATOM 1885 O SER A 117 -14.838 1.481 8.507 1.00 10.03 O ATOM 1886 CB SER A 117 -15.569 3.616 6.025 1.00 73.41 C ATOM 1887 OG SER A 117 -16.247 2.406 5.697 1.00 45.42 O ATOM 0 H SER A 117 -14.207 5.465 6.954 1.00 0.31 H new ATOM 0 HA SER A 117 -16.032 3.676 8.147 1.00 12.23 H new ATOM 0 HB2 SER A 117 -16.218 4.465 5.807 1.00 73.41 H new ATOM 0 HB3 SER A 117 -14.687 3.719 5.393 1.00 73.41 H new ATOM 0 HG SER A 117 -16.499 2.418 4.750 1.00 45.42 H new ATOM 1893 N GLN A 118 -13.032 2.381 7.477 1.00 53.24 N ATOM 1894 CA GLN A 118 -12.155 1.193 7.631 1.00 0.13 C ATOM 1895 C GLN A 118 -11.648 1.005 9.079 1.00 60.24 C ATOM 1896 O GLN A 118 -11.521 -0.127 9.537 1.00 30.13 O ATOM 1897 CB GLN A 118 -10.956 1.268 6.646 1.00 72.22 C ATOM 1898 CG GLN A 118 -11.342 1.335 5.151 1.00 22.41 C ATOM 1899 CD GLN A 118 -12.300 0.226 4.701 1.00 41.24 C ATOM 1900 OE1 GLN A 118 -11.884 -0.849 4.290 1.00 43.25 O ATOM 1901 NE2 GLN A 118 -13.595 0.490 4.764 1.00 31.21 N ATOM 0 H GLN A 118 -12.568 3.181 7.047 1.00 53.24 H new ATOM 0 HA GLN A 118 -12.765 0.322 7.392 1.00 0.13 H new ATOM 0 HB2 GLN A 118 -10.358 2.146 6.891 1.00 72.22 H new ATOM 0 HB3 GLN A 118 -10.321 0.396 6.803 1.00 72.22 H new ATOM 0 HG2 GLN A 118 -11.802 2.302 4.949 1.00 22.41 H new ATOM 0 HG3 GLN A 118 -10.434 1.282 4.550 1.00 22.41 H new ATOM 0 HE21 GLN A 118 -13.915 1.394 5.111 1.00 31.21 H new ATOM 0 HE22 GLN A 118 -14.273 -0.211 4.466 1.00 31.21 H new ATOM 1910 N VAL A 119 -11.347 2.112 9.786 1.00 72.41 N ATOM 1911 CA VAL A 119 -10.852 2.055 11.186 1.00 2.04 C ATOM 1912 C VAL A 119 -12.003 1.722 12.179 1.00 14.33 C ATOM 1913 O VAL A 119 -11.792 1.019 13.177 1.00 72.31 O ATOM 1914 CB VAL A 119 -10.095 3.379 11.598 1.00 11.42 C ATOM 1915 CG1 VAL A 119 -11.038 4.604 11.668 1.00 34.43 C ATOM 1916 CG2 VAL A 119 -9.306 3.197 12.927 1.00 32.01 C ATOM 0 H VAL A 119 -11.436 3.058 9.416 1.00 72.41 H new ATOM 0 HA VAL A 119 -10.125 1.244 11.239 1.00 2.04 H new ATOM 0 HB VAL A 119 -9.374 3.582 10.806 1.00 11.42 H new ATOM 0 HG11 VAL A 119 -10.467 5.487 11.955 1.00 34.43 H new ATOM 0 HG12 VAL A 119 -11.494 4.769 10.692 1.00 34.43 H new ATOM 0 HG13 VAL A 119 -11.818 4.421 12.406 1.00 34.43 H new ATOM 0 HG21 VAL A 119 -8.798 4.128 13.179 1.00 32.01 H new ATOM 0 HG22 VAL A 119 -9.997 2.933 13.727 1.00 32.01 H new ATOM 0 HG23 VAL A 119 -8.569 2.403 12.807 1.00 32.01 H new ATOM 1926 N SER A 120 -13.231 2.212 11.880 1.00 12.44 N ATOM 1927 CA SER A 120 -14.450 1.834 12.644 1.00 64.44 C ATOM 1928 C SER A 120 -14.797 0.350 12.401 1.00 23.32 C ATOM 1929 O SER A 120 -15.150 -0.381 13.331 1.00 52.10 O ATOM 1930 CB SER A 120 -15.655 2.720 12.249 1.00 2.34 C ATOM 1931 OG SER A 120 -16.821 2.389 13.002 1.00 44.24 O ATOM 0 H SER A 120 -13.405 2.868 11.118 1.00 12.44 H new ATOM 0 HA SER A 120 -14.239 1.988 13.702 1.00 64.44 H new ATOM 0 HB2 SER A 120 -15.404 3.769 12.409 1.00 2.34 H new ATOM 0 HB3 SER A 120 -15.862 2.600 11.186 1.00 2.34 H new ATOM 0 HG SER A 120 -17.378 3.188 13.111 1.00 44.24 H new ATOM 1937 N LYS A 121 -14.672 -0.075 11.128 1.00 41.24 N ATOM 1938 CA LYS A 121 -14.855 -1.483 10.706 1.00 63.14 C ATOM 1939 C LYS A 121 -13.774 -2.404 11.318 1.00 74.22 C ATOM 1940 O LYS A 121 -14.048 -3.560 11.617 1.00 61.51 O ATOM 1941 CB LYS A 121 -14.826 -1.575 9.156 1.00 23.24 C ATOM 1942 CG LYS A 121 -14.972 -2.999 8.571 1.00 54.42 C ATOM 1943 CD LYS A 121 -15.005 -3.011 7.022 1.00 61.33 C ATOM 1944 CE LYS A 121 -15.179 -4.431 6.445 1.00 61.43 C ATOM 1945 NZ LYS A 121 -15.274 -4.423 4.962 1.00 3.43 N ATOM 0 H LYS A 121 -14.440 0.551 10.357 1.00 41.24 H new ATOM 0 HA LYS A 121 -15.824 -1.824 11.072 1.00 63.14 H new ATOM 0 HB2 LYS A 121 -15.628 -0.953 8.757 1.00 23.24 H new ATOM 0 HB3 LYS A 121 -13.887 -1.150 8.802 1.00 23.24 H new ATOM 0 HG2 LYS A 121 -14.143 -3.616 8.917 1.00 54.42 H new ATOM 0 HG3 LYS A 121 -15.887 -3.452 8.953 1.00 54.42 H new ATOM 0 HD2 LYS A 121 -15.822 -2.379 6.674 1.00 61.33 H new ATOM 0 HD3 LYS A 121 -14.081 -2.577 6.639 1.00 61.33 H new ATOM 0 HE2 LYS A 121 -14.337 -5.052 6.751 1.00 61.43 H new ATOM 0 HE3 LYS A 121 -16.078 -4.884 6.863 1.00 61.43 H new ATOM 0 HZ1 LYS A 121 -15.390 -5.397 4.616 1.00 3.43 H new ATOM 0 HZ2 LYS A 121 -16.093 -3.852 4.670 1.00 3.43 H new ATOM 0 HZ3 LYS A 121 -14.406 -4.014 4.561 1.00 3.43 H new ATOM 1959 N LEU A 122 -12.554 -1.865 11.506 1.00 4.53 N ATOM 1960 CA LEU A 122 -11.402 -2.606 12.081 1.00 25.14 C ATOM 1961 C LEU A 122 -11.684 -3.060 13.538 1.00 75.43 C ATOM 1962 O LEU A 122 -11.239 -4.133 13.957 1.00 10.34 O ATOM 1963 CB LEU A 122 -10.127 -1.729 12.001 1.00 4.12 C ATOM 1964 CG LEU A 122 -8.777 -2.394 12.425 1.00 22.44 C ATOM 1965 CD1 LEU A 122 -8.484 -3.677 11.609 1.00 31.22 C ATOM 1966 CD2 LEU A 122 -7.619 -1.378 12.305 1.00 54.35 C ATOM 0 H LEU A 122 -12.333 -0.899 11.264 1.00 4.53 H new ATOM 0 HA LEU A 122 -11.244 -3.511 11.495 1.00 25.14 H new ATOM 0 HB2 LEU A 122 -10.023 -1.377 10.975 1.00 4.12 H new ATOM 0 HB3 LEU A 122 -10.282 -0.849 12.626 1.00 4.12 H new ATOM 0 HG LEU A 122 -8.867 -2.697 13.468 1.00 22.44 H new ATOM 0 HD11 LEU A 122 -7.537 -4.107 11.935 1.00 31.22 H new ATOM 0 HD12 LEU A 122 -9.285 -4.400 11.767 1.00 31.22 H new ATOM 0 HD13 LEU A 122 -8.424 -3.428 10.549 1.00 31.22 H new ATOM 0 HD21 LEU A 122 -6.685 -1.854 12.603 1.00 54.35 H new ATOM 0 HD22 LEU A 122 -7.539 -1.037 11.273 1.00 54.35 H new ATOM 0 HD23 LEU A 122 -7.815 -0.525 12.954 1.00 54.35 H new ATOM 1978 N ARG A 123 -12.452 -2.242 14.290 1.00 55.51 N ATOM 1979 CA ARG A 123 -12.970 -2.625 15.630 1.00 42.05 C ATOM 1980 C ARG A 123 -13.932 -3.837 15.531 1.00 50.35 C ATOM 1981 O ARG A 123 -13.874 -4.766 16.345 1.00 55.14 O ATOM 1982 CB ARG A 123 -13.729 -1.439 16.286 1.00 23.31 C ATOM 1983 CG ARG A 123 -12.889 -0.166 16.526 1.00 10.15 C ATOM 1984 CD ARG A 123 -13.716 0.949 17.200 1.00 73.51 C ATOM 1985 NE ARG A 123 -12.925 2.161 17.485 1.00 54.22 N ATOM 1986 CZ ARG A 123 -13.373 3.233 18.105 1.00 24.33 C ATOM 1987 NH1 ARG A 123 -14.602 3.308 18.530 1.00 33.33 N ATOM 1988 NH2 ARG A 123 -12.583 4.243 18.276 1.00 11.24 N ATOM 0 H ARG A 123 -12.730 -1.307 13.993 1.00 55.51 H new ATOM 0 HA ARG A 123 -12.111 -2.896 16.243 1.00 42.05 H new ATOM 0 HB2 ARG A 123 -14.578 -1.179 15.654 1.00 23.31 H new ATOM 0 HB3 ARG A 123 -14.133 -1.773 17.242 1.00 23.31 H new ATOM 0 HG2 ARG A 123 -12.030 -0.410 17.151 1.00 10.15 H new ATOM 0 HG3 ARG A 123 -12.498 0.196 15.575 1.00 10.15 H new ATOM 0 HD2 ARG A 123 -14.554 1.212 16.555 1.00 73.51 H new ATOM 0 HD3 ARG A 123 -14.137 0.569 18.131 1.00 73.51 H new ATOM 0 HE ARG A 123 -11.953 2.169 17.177 1.00 54.22 H new ATOM 0 HH11 ARG A 123 -15.240 2.526 18.385 1.00 33.33 H new ATOM 0 HH12 ARG A 123 -14.926 4.149 19.008 1.00 33.33 H new ATOM 0 HH21 ARG A 123 -11.624 4.204 17.932 1.00 11.24 H new ATOM 0 HH22 ARG A 123 -12.920 5.078 18.755 1.00 11.24 H new ATOM 2002 N ARG A 124 -14.800 -3.803 14.502 1.00 62.51 N ATOM 2003 CA ARG A 124 -15.902 -4.783 14.314 1.00 52.24 C ATOM 2004 C ARG A 124 -15.367 -6.150 13.811 1.00 62.21 C ATOM 2005 O ARG A 124 -15.842 -7.203 14.236 1.00 31.41 O ATOM 2006 CB ARG A 124 -16.953 -4.220 13.309 1.00 31.03 C ATOM 2007 CG ARG A 124 -17.349 -2.745 13.558 1.00 71.22 C ATOM 2008 CD ARG A 124 -18.376 -2.201 12.540 1.00 44.10 C ATOM 2009 NE ARG A 124 -18.461 -0.724 12.569 1.00 54.14 N ATOM 2010 CZ ARG A 124 -19.456 -0.001 12.090 1.00 64.22 C ATOM 2011 NH1 ARG A 124 -20.536 -0.552 11.622 1.00 30.51 N ATOM 2012 NH2 ARG A 124 -19.366 1.289 12.099 1.00 54.24 N ATOM 0 H ARG A 124 -14.761 -3.093 13.770 1.00 62.51 H new ATOM 0 HA ARG A 124 -16.376 -4.943 15.282 1.00 52.24 H new ATOM 0 HB2 ARG A 124 -16.556 -4.311 12.298 1.00 31.03 H new ATOM 0 HB3 ARG A 124 -17.850 -4.837 13.356 1.00 31.03 H new ATOM 0 HG2 ARG A 124 -17.762 -2.653 14.563 1.00 71.22 H new ATOM 0 HG3 ARG A 124 -16.453 -2.126 13.524 1.00 71.22 H new ATOM 0 HD2 ARG A 124 -18.100 -2.528 11.538 1.00 44.10 H new ATOM 0 HD3 ARG A 124 -19.357 -2.624 12.754 1.00 44.10 H new ATOM 0 HE ARG A 124 -17.683 -0.221 12.996 1.00 54.14 H new ATOM 0 HH11 ARG A 124 -20.630 -1.568 11.619 1.00 30.51 H new ATOM 0 HH12 ARG A 124 -21.289 0.031 11.258 1.00 30.51 H new ATOM 0 HH21 ARG A 124 -18.531 1.739 12.474 1.00 54.24 H new ATOM 0 HH22 ARG A 124 -20.130 1.856 11.731 1.00 54.24 H new ATOM 2026 N THR A 125 -14.375 -6.109 12.894 1.00 73.33 N ATOM 2027 CA THR A 125 -13.799 -7.323 12.255 1.00 13.53 C ATOM 2028 C THR A 125 -12.626 -7.916 13.071 1.00 51.13 C ATOM 2029 O THR A 125 -12.336 -9.109 12.946 1.00 41.14 O ATOM 2030 CB THR A 125 -13.317 -7.036 10.784 1.00 65.23 C ATOM 2031 OG1 THR A 125 -12.944 -8.270 10.137 1.00 21.24 O ATOM 2032 CG2 THR A 125 -12.126 -6.060 10.716 1.00 23.25 C ATOM 0 H THR A 125 -13.949 -5.239 12.574 1.00 73.33 H new ATOM 0 HA THR A 125 -14.606 -8.055 12.228 1.00 13.53 H new ATOM 0 HB THR A 125 -14.157 -6.567 10.272 1.00 65.23 H new ATOM 0 HG1 THR A 125 -12.897 -8.130 9.168 1.00 21.24 H new ATOM 0 HG21 THR A 125 -11.842 -5.904 9.675 1.00 23.25 H new ATOM 0 HG22 THR A 125 -12.411 -5.107 11.161 1.00 23.25 H new ATOM 0 HG23 THR A 125 -11.281 -6.478 11.264 1.00 23.25 H new ATOM 2040 N CYS A 126 -11.950 -7.047 13.865 1.00 54.13 N ATOM 2041 CA CYS A 126 -10.766 -7.378 14.718 1.00 32.44 C ATOM 2042 C CYS A 126 -9.568 -8.006 13.932 1.00 73.24 C ATOM 2043 O CYS A 126 -9.578 -8.060 12.695 1.00 55.01 O ATOM 2044 CB CYS A 126 -11.174 -8.248 15.945 1.00 54.23 C ATOM 2045 SG CYS A 126 -11.718 -9.935 15.572 1.00 71.14 S ATOM 0 H CYS A 126 -12.217 -6.065 13.936 1.00 54.13 H new ATOM 0 HA CYS A 126 -10.394 -6.422 15.087 1.00 32.44 H new ATOM 0 HB2 CYS A 126 -10.324 -8.303 16.626 1.00 54.23 H new ATOM 0 HB3 CYS A 126 -11.976 -7.737 16.477 1.00 54.23 H new ATOM 0 HG CYS A 126 -12.144 -9.992 14.345 1.00 71.14 H new ATOM 2051 N GLY A 127 -8.511 -8.421 14.670 1.00 23.21 N ATOM 2052 CA GLY A 127 -7.306 -9.035 14.077 1.00 10.33 C ATOM 2053 C GLY A 127 -7.559 -10.407 13.428 1.00 62.25 C ATOM 2054 O GLY A 127 -7.163 -10.643 12.280 1.00 11.32 O ATOM 0 H GLY A 127 -8.472 -8.339 15.686 1.00 23.21 H new ATOM 0 HA2 GLY A 127 -6.898 -8.359 13.326 1.00 10.33 H new ATOM 0 HA3 GLY A 127 -6.548 -9.145 14.852 1.00 10.33 H new ATOM 2058 N PHE A 128 -8.194 -11.329 14.184 1.00 50.24 N ATOM 2059 CA PHE A 128 -8.598 -12.661 13.667 1.00 3.31 C ATOM 2060 C PHE A 128 -9.969 -12.565 12.963 1.00 33.44 C ATOM 2061 O PHE A 128 -10.966 -12.174 13.579 1.00 44.04 O ATOM 2062 CB PHE A 128 -8.645 -13.700 14.820 1.00 13.13 C ATOM 2063 CG PHE A 128 -8.824 -15.152 14.354 1.00 1.22 C ATOM 2064 CD1 PHE A 128 -7.820 -15.795 13.622 1.00 54.20 C ATOM 2065 CD2 PHE A 128 -9.992 -15.867 14.631 1.00 43.22 C ATOM 2066 CE1 PHE A 128 -7.977 -17.098 13.189 1.00 22.32 C ATOM 2067 CE2 PHE A 128 -10.147 -17.172 14.196 1.00 5.13 C ATOM 2068 CZ PHE A 128 -9.140 -17.788 13.475 1.00 12.40 C ATOM 0 H PHE A 128 -8.441 -11.176 15.162 1.00 50.24 H new ATOM 0 HA PHE A 128 -7.858 -12.994 12.939 1.00 3.31 H new ATOM 0 HB2 PHE A 128 -7.723 -13.627 15.397 1.00 13.13 H new ATOM 0 HB3 PHE A 128 -9.464 -13.443 15.492 1.00 13.13 H new ATOM 0 HD1 PHE A 128 -6.908 -15.265 13.392 1.00 54.20 H new ATOM 0 HD2 PHE A 128 -10.785 -15.395 15.192 1.00 43.22 H new ATOM 0 HE1 PHE A 128 -7.190 -17.578 12.626 1.00 22.32 H new ATOM 0 HE2 PHE A 128 -11.056 -17.710 14.420 1.00 5.13 H new ATOM 0 HZ PHE A 128 -9.262 -18.806 13.136 1.00 12.40 H new ATOM 2078 N LEU A 129 -10.008 -12.932 11.672 1.00 53.24 N ATOM 2079 CA LEU A 129 -11.206 -12.761 10.817 1.00 4.41 C ATOM 2080 C LEU A 129 -11.314 -13.865 9.732 1.00 14.41 C ATOM 2081 O LEU A 129 -10.399 -14.679 9.568 1.00 43.51 O ATOM 2082 CB LEU A 129 -11.189 -11.317 10.213 1.00 2.53 C ATOM 2083 CG LEU A 129 -9.831 -10.824 9.576 1.00 51.52 C ATOM 2084 CD1 LEU A 129 -9.559 -11.464 8.199 1.00 54.40 C ATOM 2085 CD2 LEU A 129 -9.761 -9.278 9.501 1.00 3.31 C ATOM 0 H LEU A 129 -9.216 -13.355 11.188 1.00 53.24 H new ATOM 0 HA LEU A 129 -12.103 -12.875 11.425 1.00 4.41 H new ATOM 0 HB2 LEU A 129 -11.963 -11.261 9.447 1.00 2.53 H new ATOM 0 HB3 LEU A 129 -11.468 -10.617 11.000 1.00 2.53 H new ATOM 0 HG LEU A 129 -9.038 -11.160 10.244 1.00 51.52 H new ATOM 0 HD11 LEU A 129 -8.613 -11.091 7.805 1.00 54.40 H new ATOM 0 HD12 LEU A 129 -9.506 -12.547 8.305 1.00 54.40 H new ATOM 0 HD13 LEU A 129 -10.365 -11.206 7.512 1.00 54.40 H new ATOM 0 HD21 LEU A 129 -8.812 -8.978 9.057 1.00 3.31 H new ATOM 0 HD22 LEU A 129 -10.582 -8.906 8.888 1.00 3.31 H new ATOM 0 HD23 LEU A 129 -9.840 -8.861 10.505 1.00 3.31 H new ATOM 2097 N GLU A 130 -12.443 -13.878 8.991 1.00 54.42 N ATOM 2098 CA GLU A 130 -12.656 -14.807 7.857 1.00 75.34 C ATOM 2099 C GLU A 130 -13.310 -14.059 6.667 1.00 20.32 C ATOM 2100 O GLU A 130 -14.541 -14.009 6.549 1.00 1.43 O ATOM 2101 CB GLU A 130 -13.526 -16.022 8.299 1.00 64.02 C ATOM 2102 CG GLU A 130 -13.713 -17.104 7.211 1.00 13.11 C ATOM 2103 CD GLU A 130 -14.755 -18.168 7.590 1.00 13.14 C ATOM 2104 OE1 GLU A 130 -15.957 -17.967 7.303 1.00 54.45 O ATOM 2105 OE2 GLU A 130 -14.387 -19.201 8.190 1.00 62.51 O ATOM 0 H GLU A 130 -13.229 -13.250 9.159 1.00 54.42 H new ATOM 0 HA GLU A 130 -11.688 -15.189 7.531 1.00 75.34 H new ATOM 0 HB2 GLU A 130 -13.069 -16.481 9.175 1.00 64.02 H new ATOM 0 HB3 GLU A 130 -14.507 -15.659 8.605 1.00 64.02 H new ATOM 0 HG2 GLU A 130 -14.014 -16.625 6.279 1.00 13.11 H new ATOM 0 HG3 GLU A 130 -12.756 -17.592 7.024 1.00 13.11 H new ATOM 2112 N HIS A 131 -12.468 -13.431 5.825 1.00 31.21 N ATOM 2113 CA HIS A 131 -12.901 -12.720 4.593 1.00 63.54 C ATOM 2114 C HIS A 131 -11.662 -12.260 3.791 1.00 44.43 C ATOM 2115 O HIS A 131 -10.679 -11.788 4.377 1.00 62.33 O ATOM 2116 CB HIS A 131 -13.834 -11.505 4.905 1.00 23.23 C ATOM 2117 CG HIS A 131 -13.220 -10.438 5.779 1.00 55.52 C ATOM 2118 ND1 HIS A 131 -12.571 -9.332 5.270 1.00 53.31 N ATOM 2119 CD2 HIS A 131 -13.159 -10.310 7.126 1.00 70.12 C ATOM 2120 CE1 HIS A 131 -12.135 -8.580 6.256 1.00 3.13 C ATOM 2121 NE2 HIS A 131 -12.480 -9.146 7.388 1.00 53.32 N ATOM 0 H HIS A 131 -11.460 -13.399 5.976 1.00 31.21 H new ATOM 0 HA HIS A 131 -13.483 -13.421 3.995 1.00 63.54 H new ATOM 0 HB2 HIS A 131 -14.141 -11.050 3.963 1.00 23.23 H new ATOM 0 HB3 HIS A 131 -14.738 -11.875 5.389 1.00 23.23 H new ATOM 0 HD1 HIS A 131 -12.448 -9.129 4.278 1.00 53.31 H new ATOM 0 HD2 HIS A 131 -13.567 -10.994 7.855 1.00 70.12 H new ATOM 0 HE1 HIS A 131 -11.587 -7.655 6.152 1.00 3.13 H new ATOM 2130 N HIS A 132 -11.720 -12.396 2.454 1.00 61.44 N ATOM 2131 CA HIS A 132 -10.608 -12.016 1.549 1.00 70.25 C ATOM 2132 C HIS A 132 -11.167 -11.234 0.332 1.00 14.32 C ATOM 2133 O HIS A 132 -12.122 -11.679 -0.308 1.00 73.14 O ATOM 2134 CB HIS A 132 -9.853 -13.294 1.096 1.00 2.51 C ATOM 2135 CG HIS A 132 -8.539 -13.044 0.389 1.00 53.23 C ATOM 2136 ND1 HIS A 132 -7.323 -13.117 1.032 1.00 31.21 N ATOM 2137 CD2 HIS A 132 -8.250 -12.739 -0.905 1.00 44.13 C ATOM 2138 CE1 HIS A 132 -6.354 -12.870 0.179 1.00 61.14 C ATOM 2139 NE2 HIS A 132 -6.883 -12.637 -1.003 1.00 43.34 N ATOM 0 H HIS A 132 -12.534 -12.771 1.967 1.00 61.44 H new ATOM 0 HA HIS A 132 -9.906 -11.368 2.074 1.00 70.25 H new ATOM 0 HB2 HIS A 132 -9.665 -13.916 1.971 1.00 2.51 H new ATOM 0 HB3 HIS A 132 -10.502 -13.865 0.433 1.00 2.51 H new ATOM 0 HD2 HIS A 132 -8.962 -12.603 -1.706 1.00 44.13 H new ATOM 0 HE1 HIS A 132 -5.299 -12.860 0.410 1.00 61.14 H new ATOM 0 HE2 HIS A 132 -6.364 -12.417 -1.853 1.00 43.34 H new ATOM 2148 N HIS A 133 -10.565 -10.067 0.031 1.00 35.30 N ATOM 2149 CA HIS A 133 -11.021 -9.169 -1.060 1.00 14.40 C ATOM 2150 C HIS A 133 -10.634 -9.715 -2.459 1.00 21.40 C ATOM 2151 O HIS A 133 -9.481 -10.093 -2.696 1.00 65.35 O ATOM 2152 CB HIS A 133 -10.437 -7.743 -0.865 1.00 10.01 C ATOM 2153 CG HIS A 133 -10.828 -7.095 0.437 1.00 43.14 C ATOM 2154 ND1 HIS A 133 -9.950 -6.903 1.484 1.00 65.01 N ATOM 2155 CD2 HIS A 133 -12.016 -6.590 0.855 1.00 62.32 C ATOM 2156 CE1 HIS A 133 -10.574 -6.314 2.483 1.00 14.33 C ATOM 2157 NE2 HIS A 133 -11.826 -6.115 2.127 1.00 54.10 N ATOM 0 H HIS A 133 -9.750 -9.716 0.534 1.00 35.30 H new ATOM 0 HA HIS A 133 -12.109 -9.124 -1.011 1.00 14.40 H new ATOM 0 HB2 HIS A 133 -9.350 -7.796 -0.921 1.00 10.01 H new ATOM 0 HB3 HIS A 133 -10.768 -7.110 -1.688 1.00 10.01 H new ATOM 0 HD2 HIS A 133 -12.937 -6.567 0.292 1.00 62.32 H new ATOM 0 HE1 HIS A 133 -10.135 -6.041 3.431 1.00 14.33 H new ATOM 0 HE2 HIS A 133 -12.542 -5.676 2.706 1.00 54.10 H new ATOM 2166 N HIS A 134 -11.627 -9.759 -3.373 1.00 31.15 N ATOM 2167 CA HIS A 134 -11.435 -10.161 -4.787 1.00 4.42 C ATOM 2168 C HIS A 134 -12.007 -9.084 -5.736 1.00 71.04 C ATOM 2169 O HIS A 134 -13.211 -9.071 -6.026 1.00 72.35 O ATOM 2170 CB HIS A 134 -12.099 -11.538 -5.070 1.00 61.35 C ATOM 2171 CG HIS A 134 -11.497 -12.675 -4.290 1.00 23.21 C ATOM 2172 ND1 HIS A 134 -10.350 -13.325 -4.686 1.00 34.23 N ATOM 2173 CD2 HIS A 134 -11.875 -13.265 -3.133 1.00 75.24 C ATOM 2174 CE1 HIS A 134 -10.053 -14.264 -3.813 1.00 24.40 C ATOM 2175 NE2 HIS A 134 -10.962 -14.251 -2.862 1.00 22.23 N ATOM 0 H HIS A 134 -12.592 -9.515 -3.151 1.00 31.15 H new ATOM 0 HA HIS A 134 -10.365 -10.256 -4.969 1.00 4.42 H new ATOM 0 HB2 HIS A 134 -13.162 -11.473 -4.837 1.00 61.35 H new ATOM 0 HB3 HIS A 134 -12.019 -11.758 -6.135 1.00 61.35 H new ATOM 0 HD2 HIS A 134 -12.736 -13.007 -2.534 1.00 75.24 H new ATOM 0 HE1 HIS A 134 -9.206 -14.932 -3.868 1.00 24.40 H new ATOM 0 HE2 HIS A 134 -10.984 -14.873 -2.054 1.00 22.23 H new ATOM 2184 N HIS A 135 -11.146 -8.153 -6.185 1.00 4.41 N ATOM 2185 CA HIS A 135 -11.508 -7.156 -7.214 1.00 41.55 C ATOM 2186 C HIS A 135 -11.037 -7.673 -8.602 1.00 10.51 C ATOM 2187 O HIS A 135 -10.178 -7.069 -9.261 1.00 54.23 O ATOM 2188 CB HIS A 135 -10.902 -5.768 -6.853 1.00 31.51 C ATOM 2189 CG HIS A 135 -11.432 -4.629 -7.683 1.00 54.43 C ATOM 2190 ND1 HIS A 135 -10.770 -4.122 -8.777 1.00 51.34 N ATOM 2191 CD2 HIS A 135 -12.572 -3.904 -7.577 1.00 43.13 C ATOM 2192 CE1 HIS A 135 -11.468 -3.145 -9.304 1.00 62.02 C ATOM 2193 NE2 HIS A 135 -12.568 -2.988 -8.600 1.00 31.13 N ATOM 0 H HIS A 135 -10.187 -8.069 -5.849 1.00 4.41 H new ATOM 0 HA HIS A 135 -12.589 -7.022 -7.255 1.00 41.55 H new ATOM 0 HB2 HIS A 135 -11.100 -5.560 -5.802 1.00 31.51 H new ATOM 0 HB3 HIS A 135 -9.819 -5.815 -6.970 1.00 31.51 H new ATOM 0 HD2 HIS A 135 -13.340 -4.024 -6.828 1.00 43.13 H new ATOM 0 HE1 HIS A 135 -11.187 -2.566 -10.171 1.00 62.02 H new ATOM 0 HE2 HIS A 135 -13.298 -2.299 -8.784 1.00 31.13 H new ATOM 2202 N HIS A 136 -11.599 -8.839 -8.994 1.00 65.12 N ATOM 2203 CA HIS A 136 -11.235 -9.577 -10.227 1.00 74.54 C ATOM 2204 C HIS A 136 -9.735 -9.967 -10.245 1.00 64.31 C ATOM 2205 O HIS A 136 -9.229 -10.597 -9.312 1.00 53.23 O ATOM 2206 CB HIS A 136 -11.627 -8.769 -11.496 1.00 32.11 C ATOM 2207 CG HIS A 136 -11.417 -9.515 -12.788 1.00 50.31 C ATOM 2208 ND1 HIS A 136 -10.280 -9.397 -13.556 1.00 71.01 N ATOM 2209 CD2 HIS A 136 -12.202 -10.413 -13.433 1.00 71.33 C ATOM 2210 CE1 HIS A 136 -10.375 -10.178 -14.610 1.00 71.04 C ATOM 2211 NE2 HIS A 136 -11.527 -10.807 -14.560 1.00 13.35 N ATOM 0 H HIS A 136 -12.330 -9.302 -8.454 1.00 65.12 H new ATOM 0 HA HIS A 136 -11.805 -10.506 -10.232 1.00 74.54 H new ATOM 0 HB2 HIS A 136 -12.676 -8.481 -11.421 1.00 32.11 H new ATOM 0 HB3 HIS A 136 -11.045 -7.848 -11.522 1.00 32.11 H new ATOM 0 HD2 HIS A 136 -13.177 -10.754 -13.118 1.00 71.33 H new ATOM 0 HE1 HIS A 136 -9.631 -10.284 -15.386 1.00 71.04 H new ATOM 0 HE2 HIS A 136 -11.865 -11.480 -15.248 1.00 13.35 H new TER 2220 HIS A 136