USER MOD reduce.3.24.130724 H: found=0, std=0, add=1296, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1286 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 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 81 THR OG1 : rot 103:sc= 1.28 USER MOD Set 2.1: A 74 MET CE :methyl -144:sc= -0.362 (180deg=-1.08) USER MOD Set 2.2: B 74 MET CE :methyl -145:sc= -0.39 (180deg=-1.08) USER MOD Set 3.1: B 41 SER OG : rot -50:sc= 0.277 USER MOD Set 3.2: B 42 HIS : no HD1:sc= -0.453 K(o=-0.18,f=-4.2!) USER MOD Set 4.1: B 25 HIS : no HD1:sc= -0.487! C(o=-1.4!,f=-9.5!) USER MOD Set 4.2: B 26 LYS NZ :NH3+ 137:sc= -0.929 (180deg=-0.782) USER MOD Set 5.1: B 17 TYR OH : rot 165:sc= 0 USER MOD Set 5.2: B 38 ASN : amide:sc= -1.41 K(o=-1.4,f=-4.1!) USER MOD Set 6.1: A 81 THR OG1 : rot 102:sc= 1.26 USER MOD Set 6.2: B 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 41 SER OG : rot -51:sc= 0.293 USER MOD Set 7.2: A 42 HIS : no HD1:sc= -0.482 K(o=-0.19,f=-4!) USER MOD Set 8.1: A 25 HIS : no HD1:sc= -0.649 K(o=-1.7,f=-9.3!) USER MOD Set 8.2: A 26 LYS NZ :NH3+ 135:sc= -1.07 (180deg=-0.743) USER MOD Set 9.1: A 17 TYR OH : rot 165:sc= 0 USER MOD Set 9.2: A 38 ASN : amide:sc= -1.38 K(o=-1.4,f=-4.2!) USER MOD Single : A 1 SER N :NH3+ -143:sc= 1.02 (180deg=0.475) USER MOD Single : A 1 SER OG : rot 180:sc= -2.22! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 65:sc= 1.08 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.12 (180deg=-0.752) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= 0.107 (180deg=0.0359) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -107:sc= -2.72! (180deg=-5.25!) USER MOD Single : A 37 ASN : amide:sc= -3.28! K(o=-3.3!,f=-0.89) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc=-0.00267 (180deg=-0.128) USER MOD Single : A 50 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.2!) USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= -0.0141 (180deg=-0.242) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 88:sc= 0.934 USER MOD Single : A 68 CYS SG : rot -150:sc= -0.693 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -76:sc= -0.0534 USER MOD Single : B 1 SER N :NH3+ -150:sc= 1.01 (180deg=0.289) USER MOD Single : B 1 SER OG : rot 180:sc= -2.23! USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 SER OG : rot 66:sc= 1.1 USER MOD Single : B 24 LYS NZ :NH3+ -160:sc= -0.142 (180deg=-0.76) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 161:sc= 0.113 (180deg=0.0359) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 134:sc= -2.79! (180deg=-5.28!) USER MOD Single : B 37 ASN : amide:sc= -3.02! K(o=-3!,f=-0.87) USER MOD Single : B 48 LYS NZ :NH3+ -162:sc=-0.00408 (180deg=-0.131) USER MOD Single : B 50 GLN : amide:sc= -0.0569 K(o=-0.057,f=-2.4!) USER MOD Single : B 55 LYS NZ :NH3+ 161:sc= -0.0113 (180deg=-0.246) USER MOD Single : B 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 84:sc= 0.983 USER MOD Single : B 68 CYS SG : rot -150:sc= -0.77 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot -76:sc= -0.0318 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 -10.678 4.514 13.060 1.00 0.00 N ATOM 21 CA SER A 1 -10.685 3.024 13.105 1.00 0.00 C ATOM 22 C SER A 1 -9.253 2.519 13.279 1.00 0.00 C ATOM 23 O SER A 1 -8.308 3.282 13.249 1.00 0.00 O ATOM 24 CB SER A 1 -11.265 2.473 11.801 1.00 0.00 C ATOM 25 OG SER A 1 -10.241 2.420 10.816 1.00 0.00 O ATOM 0 H1 SER A 1 -11.519 4.880 13.550 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.821 4.871 13.529 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.688 4.831 12.070 1.00 0.00 H new ATOM 0 HA SER A 1 -11.297 2.688 13.942 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.679 1.478 11.966 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.083 3.106 11.458 1.00 0.00 H new ATOM 0 HG SER A 1 -10.610 2.066 9.980 1.00 0.00 H new ATOM 31 N GLU A 2 -9.083 1.238 13.461 1.00 0.00 N ATOM 32 CA GLU A 2 -7.709 0.691 13.638 1.00 0.00 C ATOM 33 C GLU A 2 -6.895 0.939 12.366 1.00 0.00 C ATOM 34 O GLU A 2 -5.699 1.148 12.410 1.00 0.00 O ATOM 35 CB GLU A 2 -7.787 -0.814 13.906 1.00 0.00 C ATOM 36 CG GLU A 2 -6.412 -1.326 14.335 1.00 0.00 C ATOM 37 CD GLU A 2 -6.523 -2.789 14.769 1.00 0.00 C ATOM 38 OE1 GLU A 2 -7.424 -3.092 15.535 1.00 0.00 O ATOM 39 OE2 GLU A 2 -5.706 -3.581 14.330 1.00 0.00 O ATOM 0 H GLU A 2 -9.834 0.549 13.495 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.228 1.185 14.482 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.522 -1.018 14.684 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.118 -1.337 13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.705 -1.233 13.511 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.027 -0.721 15.156 1.00 0.00 H new ATOM 46 N LEU A 3 -7.537 0.904 11.229 1.00 0.00 N ATOM 47 CA LEU A 3 -6.806 1.123 9.949 1.00 0.00 C ATOM 48 C LEU A 3 -6.182 2.525 9.939 1.00 0.00 C ATOM 49 O LEU A 3 -5.012 2.688 9.656 1.00 0.00 O ATOM 50 CB LEU A 3 -7.792 0.971 8.773 1.00 0.00 C ATOM 51 CG LEU A 3 -7.060 0.470 7.519 1.00 0.00 C ATOM 52 CD1 LEU A 3 -8.034 0.437 6.336 1.00 0.00 C ATOM 53 CD2 LEU A 3 -5.888 1.405 7.195 1.00 0.00 C ATOM 0 H LEU A 3 -8.538 0.733 11.132 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.009 0.386 9.850 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.584 0.272 9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.269 1.929 8.565 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.678 -0.534 7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.514 0.081 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.862 -0.234 6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.420 1.440 6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.371 1.046 6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.265 2.412 7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.194 1.423 8.035 1.00 0.00 H new ATOM 65 N GLU A 4 -6.946 3.541 10.246 1.00 0.00 N ATOM 66 CA GLU A 4 -6.373 4.918 10.247 1.00 0.00 C ATOM 67 C GLU A 4 -5.122 4.944 11.127 1.00 0.00 C ATOM 68 O GLU A 4 -4.084 5.445 10.744 1.00 0.00 O ATOM 69 CB GLU A 4 -7.406 5.908 10.798 1.00 0.00 C ATOM 70 CG GLU A 4 -8.533 6.114 9.780 1.00 0.00 C ATOM 71 CD GLU A 4 -9.427 4.874 9.749 1.00 0.00 C ATOM 72 OE1 GLU A 4 -10.293 4.772 10.601 1.00 0.00 O ATOM 73 OE2 GLU A 4 -9.231 4.048 8.873 1.00 0.00 O ATOM 0 H GLU A 4 -7.933 3.477 10.494 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.111 5.202 9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.816 5.533 11.736 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.926 6.861 11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.121 6.992 10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.114 6.298 8.791 1.00 0.00 H new ATOM 80 N LYS A 5 -5.221 4.394 12.306 1.00 0.00 N ATOM 81 CA LYS A 5 -4.054 4.363 13.233 1.00 0.00 C ATOM 82 C LYS A 5 -2.828 3.813 12.503 1.00 0.00 C ATOM 83 O LYS A 5 -1.724 4.300 12.648 1.00 0.00 O ATOM 84 CB LYS A 5 -4.385 3.437 14.409 1.00 0.00 C ATOM 85 CG LYS A 5 -5.648 3.936 15.130 1.00 0.00 C ATOM 86 CD LYS A 5 -5.319 5.149 16.012 1.00 0.00 C ATOM 87 CE LYS A 5 -6.495 5.435 16.947 1.00 0.00 C ATOM 88 NZ LYS A 5 -6.222 6.682 17.716 1.00 0.00 N ATOM 0 H LYS A 5 -6.069 3.960 12.670 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.843 5.372 13.588 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.539 2.420 14.050 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.547 3.406 15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.409 4.207 14.398 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.065 3.136 15.742 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.417 4.955 16.593 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.116 6.020 15.389 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.414 5.543 16.371 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.643 4.598 17.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.020 6.879 18.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.354 6.562 18.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.101 7.477 17.057 1.00 0.00 H new ATOM 102 N ALA A 6 -3.027 2.786 11.723 1.00 0.00 N ATOM 103 CA ALA A 6 -1.902 2.162 10.971 1.00 0.00 C ATOM 104 C ALA A 6 -1.536 3.014 9.750 1.00 0.00 C ATOM 105 O ALA A 6 -0.397 3.034 9.327 1.00 0.00 O ATOM 106 CB ALA A 6 -2.327 0.757 10.523 1.00 0.00 C ATOM 0 H ALA A 6 -3.935 2.347 11.573 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.026 2.097 11.616 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.512 0.289 9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.566 0.153 11.398 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.205 0.830 9.881 1.00 0.00 H new ATOM 112 N MET A 7 -2.468 3.725 9.184 1.00 0.00 N ATOM 113 CA MET A 7 -2.120 4.568 8.007 1.00 0.00 C ATOM 114 C MET A 7 -1.097 5.621 8.449 1.00 0.00 C ATOM 115 O MET A 7 -0.107 5.860 7.786 1.00 0.00 O ATOM 116 CB MET A 7 -3.383 5.253 7.468 1.00 0.00 C ATOM 117 CG MET A 7 -3.163 5.673 6.012 1.00 0.00 C ATOM 118 SD MET A 7 -3.108 4.198 4.964 1.00 0.00 S ATOM 119 CE MET A 7 -2.099 4.897 3.634 1.00 0.00 C ATOM 0 H MET A 7 -3.444 3.760 9.479 1.00 0.00 H new ATOM 0 HA MET A 7 -1.696 3.951 7.215 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.233 4.574 7.536 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.622 6.126 8.076 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.966 6.334 5.687 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.233 6.233 5.920 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.938 4.142 2.864 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.613 5.755 3.200 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.137 5.216 4.036 1.00 0.00 H new ATOM 129 N VAL A 8 -1.331 6.243 9.572 1.00 0.00 N ATOM 130 CA VAL A 8 -0.382 7.276 10.080 1.00 0.00 C ATOM 131 C VAL A 8 0.920 6.606 10.532 1.00 0.00 C ATOM 132 O VAL A 8 1.996 7.146 10.371 1.00 0.00 O ATOM 133 CB VAL A 8 -1.020 7.998 11.269 1.00 0.00 C ATOM 134 CG1 VAL A 8 -0.192 9.234 11.621 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.441 8.429 10.897 1.00 0.00 C ATOM 0 H VAL A 8 -2.145 6.079 10.164 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.161 7.990 9.286 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.053 7.326 12.127 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.647 9.748 12.468 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.822 8.930 11.883 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.159 9.906 10.764 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.898 8.944 11.742 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.405 9.101 10.039 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.033 7.550 10.644 1.00 0.00 H new ATOM 145 N ALA A 9 0.827 5.431 11.094 1.00 0.00 N ATOM 146 CA ALA A 9 2.053 4.715 11.557 1.00 0.00 C ATOM 147 C ALA A 9 2.989 4.472 10.371 1.00 0.00 C ATOM 148 O ALA A 9 4.172 4.745 10.426 1.00 0.00 O ATOM 149 CB ALA A 9 1.635 3.363 12.138 1.00 0.00 C ATOM 0 H ALA A 9 -0.049 4.933 11.253 1.00 0.00 H new ATOM 0 HA ALA A 9 2.567 5.315 12.308 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.519 2.826 12.482 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.958 3.521 12.977 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.130 2.777 11.370 1.00 0.00 H new ATOM 155 N LEU A 10 2.460 3.940 9.308 1.00 0.00 N ATOM 156 CA LEU A 10 3.289 3.642 8.108 1.00 0.00 C ATOM 157 C LEU A 10 4.076 4.878 7.690 1.00 0.00 C ATOM 158 O LEU A 10 5.285 4.859 7.569 1.00 0.00 O ATOM 159 CB LEU A 10 2.336 3.256 6.957 1.00 0.00 C ATOM 160 CG LEU A 10 1.948 1.764 7.061 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.607 1.528 6.366 1.00 0.00 C ATOM 162 CD2 LEU A 10 3.014 0.890 6.383 1.00 0.00 C ATOM 0 H LEU A 10 1.474 3.695 9.217 1.00 0.00 H new ATOM 0 HA LEU A 10 3.986 2.835 8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.440 3.875 6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.817 3.448 5.998 1.00 0.00 H new ATOM 0 HG LEU A 10 1.874 1.499 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.338 0.474 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.162 2.134 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.688 1.807 5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.729 -0.159 6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.095 1.165 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.976 1.043 6.873 1.00 0.00 H new ATOM 174 N ILE A 11 3.379 5.949 7.450 1.00 0.00 N ATOM 175 CA ILE A 11 4.048 7.200 7.012 1.00 0.00 C ATOM 176 C ILE A 11 5.124 7.600 8.017 1.00 0.00 C ATOM 177 O ILE A 11 6.164 8.109 7.648 1.00 0.00 O ATOM 178 CB ILE A 11 3.010 8.318 6.910 1.00 0.00 C ATOM 179 CG1 ILE A 11 1.909 7.901 5.932 1.00 0.00 C ATOM 180 CG2 ILE A 11 3.684 9.595 6.404 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.753 8.900 6.006 1.00 0.00 C ATOM 0 H ILE A 11 2.365 6.012 7.539 1.00 0.00 H new ATOM 0 HA ILE A 11 4.513 7.035 6.040 1.00 0.00 H new ATOM 0 HB ILE A 11 2.575 8.502 7.892 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.305 7.862 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.554 6.899 6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.944 10.392 6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.470 9.891 7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.119 9.412 5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.030 8.602 5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.351 8.917 7.019 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.114 9.894 5.743 1.00 0.00 H new ATOM 193 N ASP A 12 4.882 7.413 9.287 1.00 0.00 N ATOM 194 CA ASP A 12 5.901 7.832 10.288 1.00 0.00 C ATOM 195 C ASP A 12 7.124 6.906 10.235 1.00 0.00 C ATOM 196 O ASP A 12 8.244 7.354 10.381 1.00 0.00 O ATOM 197 CB ASP A 12 5.290 7.827 11.690 1.00 0.00 C ATOM 198 CG ASP A 12 6.313 8.357 12.695 1.00 0.00 C ATOM 199 OD1 ASP A 12 7.431 8.625 12.286 1.00 0.00 O ATOM 200 OD2 ASP A 12 5.962 8.486 13.856 1.00 0.00 O ATOM 0 H ASP A 12 4.034 6.994 9.669 1.00 0.00 H new ATOM 0 HA ASP A 12 6.228 8.844 10.049 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.392 8.445 11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.987 6.816 11.962 1.00 0.00 H new ATOM 205 N VAL A 13 6.943 5.623 10.028 1.00 0.00 N ATOM 206 CA VAL A 13 8.138 4.728 9.977 1.00 0.00 C ATOM 207 C VAL A 13 8.934 5.032 8.708 1.00 0.00 C ATOM 208 O VAL A 13 10.144 5.131 8.742 1.00 0.00 O ATOM 209 CB VAL A 13 7.722 3.255 10.009 1.00 0.00 C ATOM 210 CG1 VAL A 13 8.968 2.370 9.918 1.00 0.00 C ATOM 211 CG2 VAL A 13 6.983 2.962 11.316 1.00 0.00 C ATOM 0 H VAL A 13 6.041 5.167 9.895 1.00 0.00 H new ATOM 0 HA VAL A 13 8.760 4.913 10.853 1.00 0.00 H new ATOM 0 HB VAL A 13 7.065 3.045 9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.672 1.321 9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.495 2.578 8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.626 2.580 10.762 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.687 1.913 11.339 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.640 3.172 12.160 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.095 3.591 11.381 1.00 0.00 H new ATOM 221 N PHE A 14 8.284 5.216 7.595 1.00 0.00 N ATOM 222 CA PHE A 14 9.047 5.550 6.361 1.00 0.00 C ATOM 223 C PHE A 14 9.913 6.775 6.657 1.00 0.00 C ATOM 224 O PHE A 14 10.993 6.937 6.121 1.00 0.00 O ATOM 225 CB PHE A 14 8.082 5.875 5.219 1.00 0.00 C ATOM 226 CG PHE A 14 8.873 6.273 3.993 1.00 0.00 C ATOM 227 CD1 PHE A 14 9.343 7.586 3.857 1.00 0.00 C ATOM 228 CD2 PHE A 14 9.138 5.329 2.993 1.00 0.00 C ATOM 229 CE1 PHE A 14 10.077 7.953 2.721 1.00 0.00 C ATOM 230 CE2 PHE A 14 9.871 5.697 1.858 1.00 0.00 C ATOM 231 CZ PHE A 14 10.341 7.009 1.723 1.00 0.00 C ATOM 0 H PHE A 14 7.272 5.151 7.485 1.00 0.00 H new ATOM 0 HA PHE A 14 9.666 4.703 6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.458 5.009 4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.413 6.684 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.140 8.315 4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.777 4.317 3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.439 8.965 2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.074 4.969 1.087 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.907 7.292 0.848 1.00 0.00 H new ATOM 241 N HIS A 15 9.437 7.639 7.513 1.00 0.00 N ATOM 242 CA HIS A 15 10.210 8.861 7.862 1.00 0.00 C ATOM 243 C HIS A 15 11.319 8.515 8.862 1.00 0.00 C ATOM 244 O HIS A 15 12.363 9.136 8.888 1.00 0.00 O ATOM 245 CB HIS A 15 9.268 9.893 8.485 1.00 0.00 C ATOM 246 CG HIS A 15 10.053 11.110 8.888 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.639 11.953 7.957 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.360 11.638 10.118 1.00 0.00 C ATOM 249 CE1 HIS A 15 11.262 12.935 8.635 1.00 0.00 C ATOM 250 NE2 HIS A 15 11.124 12.790 9.955 1.00 0.00 N ATOM 0 H HIS A 15 8.539 7.548 7.988 1.00 0.00 H new ATOM 0 HA HIS A 15 10.661 9.269 6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.491 10.168 7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.767 9.466 9.354 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.055 11.223 11.067 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.807 13.742 8.168 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.498 13.394 10.687 1.00 0.00 H new ATOM 258 N GLN A 16 11.087 7.539 9.702 1.00 0.00 N ATOM 259 CA GLN A 16 12.112 7.165 10.721 1.00 0.00 C ATOM 260 C GLN A 16 13.447 6.876 10.035 1.00 0.00 C ATOM 261 O GLN A 16 14.487 7.324 10.476 1.00 0.00 O ATOM 262 CB GLN A 16 11.645 5.925 11.486 1.00 0.00 C ATOM 263 CG GLN A 16 12.587 5.663 12.663 1.00 0.00 C ATOM 264 CD GLN A 16 11.987 4.581 13.564 1.00 0.00 C ATOM 265 OE1 GLN A 16 11.687 3.494 13.110 1.00 0.00 O ATOM 266 NE2 GLN A 16 11.797 4.833 14.830 1.00 0.00 N ATOM 0 H GLN A 16 10.231 6.985 9.726 1.00 0.00 H new ATOM 0 HA GLN A 16 12.243 7.992 11.418 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.627 6.070 11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.627 5.061 10.822 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.564 5.347 12.298 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.741 6.580 13.231 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.048 5.745 15.212 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.397 4.118 15.438 1.00 0.00 H new ATOM 275 N TYR A 17 13.438 6.133 8.962 1.00 0.00 N ATOM 276 CA TYR A 17 14.716 5.828 8.264 1.00 0.00 C ATOM 277 C TYR A 17 15.208 7.084 7.546 1.00 0.00 C ATOM 278 O TYR A 17 16.375 7.420 7.591 1.00 0.00 O ATOM 279 CB TYR A 17 14.488 4.712 7.238 1.00 0.00 C ATOM 280 CG TYR A 17 14.388 3.380 7.949 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.314 3.129 8.811 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.367 2.397 7.747 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.218 1.898 9.471 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.270 1.166 8.408 1.00 0.00 C ATOM 285 CZ TYR A 17 14.196 0.916 9.269 1.00 0.00 C ATOM 286 OH TYR A 17 14.101 -0.297 9.921 1.00 0.00 O ATOM 0 H TYR A 17 12.603 5.726 8.541 1.00 0.00 H new ATOM 0 HA TYR A 17 15.460 5.504 8.991 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.575 4.904 6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.308 4.692 6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.559 3.885 8.967 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.196 2.589 7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.389 1.706 10.136 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.025 0.409 8.253 1.00 0.00 H new ATOM 0 HH TYR A 17 14.707 -0.942 9.501 1.00 0.00 H new ATOM 296 N SER A 18 14.325 7.778 6.878 1.00 0.00 N ATOM 297 CA SER A 18 14.732 9.013 6.146 1.00 0.00 C ATOM 298 C SER A 18 14.432 10.250 6.999 1.00 0.00 C ATOM 299 O SER A 18 13.688 11.120 6.592 1.00 0.00 O ATOM 300 CB SER A 18 13.951 9.101 4.835 1.00 0.00 C ATOM 301 OG SER A 18 12.588 9.385 5.119 1.00 0.00 O ATOM 0 H SER A 18 13.335 7.542 6.808 1.00 0.00 H new ATOM 0 HA SER A 18 15.801 8.972 5.939 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.372 9.880 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.032 8.163 4.286 1.00 0.00 H new ATOM 0 HG SER A 18 12.518 10.271 5.533 1.00 0.00 H new ATOM 307 N GLY A 19 15.024 10.349 8.169 1.00 0.00 N ATOM 308 CA GLY A 19 14.805 11.543 9.050 1.00 0.00 C ATOM 309 C GLY A 19 16.164 12.212 9.271 1.00 0.00 C ATOM 310 O GLY A 19 16.257 13.312 9.779 1.00 0.00 O ATOM 0 H GLY A 19 15.655 9.646 8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.107 12.239 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.368 11.241 10.002 1.00 0.00 H new ATOM 314 N ARG A 20 17.215 11.559 8.857 1.00 0.00 N ATOM 315 CA ARG A 20 18.579 12.145 8.992 1.00 0.00 C ATOM 316 C ARG A 20 18.690 13.361 8.075 1.00 0.00 C ATOM 317 O ARG A 20 19.373 14.314 8.397 1.00 0.00 O ATOM 318 CB ARG A 20 19.632 11.100 8.600 1.00 0.00 C ATOM 319 CG ARG A 20 21.027 11.544 9.081 1.00 0.00 C ATOM 320 CD ARG A 20 21.251 11.113 10.535 1.00 0.00 C ATOM 321 NE ARG A 20 22.653 11.426 10.933 1.00 0.00 N ATOM 322 CZ ARG A 20 23.121 12.635 10.780 1.00 0.00 C ATOM 323 NH1 ARG A 20 23.417 13.073 9.588 1.00 0.00 N ATOM 324 NH2 ARG A 20 23.291 13.406 11.820 1.00 0.00 N ATOM 0 H ARG A 20 17.187 10.635 8.426 1.00 0.00 H new ATOM 0 HA ARG A 20 18.749 12.448 10.025 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.378 10.135 9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 20 19.638 10.967 7.518 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.795 11.107 8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 20 21.120 12.627 8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 20 20.551 11.630 11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 20 21.060 10.045 10.643 1.00 0.00 H new ATOM 0 HE ARG A 20 23.247 10.695 11.325 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.283 12.471 8.776 1.00 0.00 H new ATOM 0 HH12 ARG A 20 23.783 14.018 9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.058 13.064 12.752 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.657 14.351 11.700 1.00 0.00 H new ATOM 338 N GLU A 21 18.017 13.372 6.955 1.00 0.00 N ATOM 339 CA GLU A 21 18.094 14.576 6.071 1.00 0.00 C ATOM 340 C GLU A 21 16.777 14.753 5.319 1.00 0.00 C ATOM 341 O GLU A 21 16.250 15.844 5.232 1.00 0.00 O ATOM 342 CB GLU A 21 19.238 14.409 5.070 1.00 0.00 C ATOM 343 CG GLU A 21 20.570 14.332 5.819 1.00 0.00 C ATOM 344 CD GLU A 21 21.723 14.455 4.822 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.985 15.563 4.383 1.00 0.00 O ATOM 346 OE2 GLU A 21 22.326 13.439 4.516 1.00 0.00 O ATOM 0 H GLU A 21 17.426 12.613 6.616 1.00 0.00 H new ATOM 0 HA GLU A 21 18.277 15.458 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.089 13.505 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.249 15.247 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.629 15.129 6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.642 13.388 6.360 1.00 0.00 H new ATOM 353 N GLY A 22 16.236 13.698 4.771 1.00 0.00 N ATOM 354 CA GLY A 22 14.951 13.824 4.024 1.00 0.00 C ATOM 355 C GLY A 22 15.034 15.017 3.072 1.00 0.00 C ATOM 356 O GLY A 22 14.035 15.481 2.560 1.00 0.00 O ATOM 0 H GLY A 22 16.627 12.757 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.752 12.910 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.124 13.957 4.721 1.00 0.00 H new ATOM 360 N ASP A 23 16.218 15.519 2.825 1.00 0.00 N ATOM 361 CA ASP A 23 16.351 16.679 1.897 1.00 0.00 C ATOM 362 C ASP A 23 15.547 16.378 0.632 1.00 0.00 C ATOM 363 O ASP A 23 14.638 17.100 0.274 1.00 0.00 O ATOM 364 CB ASP A 23 17.824 16.881 1.533 1.00 0.00 C ATOM 365 CG ASP A 23 18.608 17.300 2.778 1.00 0.00 C ATOM 366 OD1 ASP A 23 17.977 17.680 3.750 1.00 0.00 O ATOM 367 OD2 ASP A 23 19.825 17.234 2.737 1.00 0.00 O ATOM 0 H ASP A 23 17.092 15.177 3.224 1.00 0.00 H new ATOM 0 HA ASP A 23 15.978 17.585 2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.238 15.959 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.917 17.643 0.759 1.00 0.00 H new ATOM 372 N LYS A 24 15.853 15.292 -0.028 1.00 0.00 N ATOM 373 CA LYS A 24 15.085 14.913 -1.249 1.00 0.00 C ATOM 374 C LYS A 24 13.934 13.995 -0.829 1.00 0.00 C ATOM 375 O LYS A 24 13.989 13.346 0.197 1.00 0.00 O ATOM 376 CB LYS A 24 16.003 14.178 -2.227 1.00 0.00 C ATOM 377 CG LYS A 24 17.113 15.125 -2.689 1.00 0.00 C ATOM 378 CD LYS A 24 18.123 14.356 -3.542 1.00 0.00 C ATOM 379 CE LYS A 24 19.378 15.209 -3.732 1.00 0.00 C ATOM 380 NZ LYS A 24 18.985 16.635 -3.918 1.00 0.00 N ATOM 0 H LYS A 24 16.604 14.650 0.227 1.00 0.00 H new ATOM 0 HA LYS A 24 14.693 15.804 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.435 13.300 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.431 13.824 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.687 15.947 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.612 15.565 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.380 13.413 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.686 14.110 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 24 20.032 15.111 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.941 14.860 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.776 17.160 -4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.157 16.688 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.747 17.053 -2.996 1.00 0.00 H new ATOM 394 N HIS A 25 12.907 13.913 -1.632 1.00 0.00 N ATOM 395 CA HIS A 25 11.753 13.017 -1.318 1.00 0.00 C ATOM 396 C HIS A 25 11.846 11.813 -2.250 1.00 0.00 C ATOM 397 O HIS A 25 10.874 11.390 -2.843 1.00 0.00 O ATOM 398 CB HIS A 25 10.445 13.768 -1.573 1.00 0.00 C ATOM 399 CG HIS A 25 10.523 14.475 -2.898 1.00 0.00 C ATOM 400 ND1 HIS A 25 11.398 15.527 -3.123 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.846 14.293 -4.078 1.00 0.00 C ATOM 402 CE1 HIS A 25 11.225 15.934 -4.394 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.290 15.215 -5.021 1.00 0.00 N ATOM 0 H HIS A 25 12.816 14.435 -2.504 1.00 0.00 H new ATOM 0 HA HIS A 25 11.776 12.699 -0.276 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.607 13.071 -1.569 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.265 14.488 -0.775 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.084 13.547 -4.249 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.775 16.743 -4.851 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.970 15.319 -5.984 1.00 0.00 H new ATOM 411 N LYS A 26 13.026 11.264 -2.377 1.00 0.00 N ATOM 412 CA LYS A 26 13.233 10.079 -3.264 1.00 0.00 C ATOM 413 C LYS A 26 14.021 9.002 -2.514 1.00 0.00 C ATOM 414 O LYS A 26 14.819 9.300 -1.648 1.00 0.00 O ATOM 415 CB LYS A 26 14.022 10.511 -4.501 1.00 0.00 C ATOM 416 CG LYS A 26 13.246 11.599 -5.244 1.00 0.00 C ATOM 417 CD LYS A 26 14.128 12.202 -6.339 1.00 0.00 C ATOM 418 CE LYS A 26 13.327 13.247 -7.118 1.00 0.00 C ATOM 419 NZ LYS A 26 12.799 14.273 -6.174 1.00 0.00 N ATOM 0 H LYS A 26 13.866 11.590 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 26 12.265 9.676 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.003 10.884 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.189 9.656 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.341 11.179 -5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.932 12.376 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.013 12.661 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.477 11.419 -7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.960 13.720 -7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.504 12.768 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.953 15.222 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.781 14.120 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.294 14.194 -5.263 1.00 0.00 H new ATOM 433 N LEU A 27 13.806 7.750 -2.844 1.00 0.00 N ATOM 434 CA LEU A 27 14.540 6.634 -2.163 1.00 0.00 C ATOM 435 C LEU A 27 15.241 5.798 -3.233 1.00 0.00 C ATOM 436 O LEU A 27 14.705 5.570 -4.299 1.00 0.00 O ATOM 437 CB LEU A 27 13.536 5.765 -1.397 1.00 0.00 C ATOM 438 CG LEU A 27 14.270 4.809 -0.443 1.00 0.00 C ATOM 439 CD1 LEU A 27 14.968 5.595 0.687 1.00 0.00 C ATOM 440 CD2 LEU A 27 13.248 3.837 0.158 1.00 0.00 C ATOM 0 H LEU A 27 13.147 7.451 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 27 15.275 7.030 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.854 6.400 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.930 5.193 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 27 15.032 4.261 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.481 4.899 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.692 6.286 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.224 6.155 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.754 3.151 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.491 4.398 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.772 3.270 -0.642 1.00 0.00 H new ATOM 452 N LYS A 28 16.441 5.344 -2.972 1.00 0.00 N ATOM 453 CA LYS A 28 17.167 4.534 -3.997 1.00 0.00 C ATOM 454 C LYS A 28 16.812 3.055 -3.829 1.00 0.00 C ATOM 455 O LYS A 28 16.467 2.609 -2.753 1.00 0.00 O ATOM 456 CB LYS A 28 18.675 4.724 -3.821 1.00 0.00 C ATOM 457 CG LYS A 28 19.052 6.158 -4.198 1.00 0.00 C ATOM 458 CD LYS A 28 20.550 6.366 -3.981 1.00 0.00 C ATOM 459 CE LYS A 28 20.912 7.821 -4.282 1.00 0.00 C ATOM 460 NZ LYS A 28 22.386 8.002 -4.158 1.00 0.00 N ATOM 0 H LYS A 28 16.947 5.498 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 28 16.874 4.863 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.961 4.520 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.218 4.016 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.795 6.351 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.485 6.865 -3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.817 6.119 -2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 28 21.118 5.697 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.585 8.088 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.394 8.486 -3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.633 8.991 -4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.685 7.764 -3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.871 7.378 -4.834 1.00 0.00 H new ATOM 474 N LYS A 29 16.893 2.289 -4.882 1.00 0.00 N ATOM 475 CA LYS A 29 16.559 0.841 -4.784 1.00 0.00 C ATOM 476 C LYS A 29 17.484 0.147 -3.773 1.00 0.00 C ATOM 477 O LYS A 29 17.060 -0.694 -3.006 1.00 0.00 O ATOM 478 CB LYS A 29 16.740 0.192 -6.168 1.00 0.00 C ATOM 479 CG LYS A 29 17.994 0.759 -6.868 1.00 0.00 C ATOM 480 CD LYS A 29 18.572 -0.285 -7.831 1.00 0.00 C ATOM 481 CE LYS A 29 19.578 0.383 -8.771 1.00 0.00 C ATOM 482 NZ LYS A 29 20.237 -0.656 -9.613 1.00 0.00 N ATOM 0 H LYS A 29 17.177 2.605 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 29 15.527 0.733 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.833 -0.889 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.858 0.377 -6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.737 1.667 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.742 1.035 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.058 -1.082 -7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.770 -0.745 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.072 1.112 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.326 0.927 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.634 -0.212 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.000 -1.109 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.537 -1.373 -9.891 1.00 0.00 H new ATOM 496 N SER A 30 18.744 0.476 -3.788 1.00 0.00 N ATOM 497 CA SER A 30 19.707 -0.177 -2.857 1.00 0.00 C ATOM 498 C SER A 30 19.261 -0.007 -1.402 1.00 0.00 C ATOM 499 O SER A 30 19.411 -0.900 -0.585 1.00 0.00 O ATOM 500 CB SER A 30 21.083 0.465 -3.033 1.00 0.00 C ATOM 501 OG SER A 30 21.504 0.310 -4.382 1.00 0.00 O ATOM 0 H SER A 30 19.152 1.174 -4.409 1.00 0.00 H new ATOM 0 HA SER A 30 19.748 -1.241 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 30 21.040 1.523 -2.773 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.803 0.000 -2.359 1.00 0.00 H new ATOM 0 HG SER A 30 22.385 0.722 -4.499 1.00 0.00 H new ATOM 507 N GLU A 31 18.710 1.130 -1.061 1.00 0.00 N ATOM 508 CA GLU A 31 18.273 1.330 0.354 1.00 0.00 C ATOM 509 C GLU A 31 16.900 0.688 0.547 1.00 0.00 C ATOM 510 O GLU A 31 16.607 0.127 1.584 1.00 0.00 O ATOM 511 CB GLU A 31 18.220 2.821 0.689 1.00 0.00 C ATOM 512 CG GLU A 31 19.521 3.492 0.246 1.00 0.00 C ATOM 513 CD GLU A 31 19.439 4.995 0.518 1.00 0.00 C ATOM 514 OE1 GLU A 31 19.609 5.380 1.663 1.00 0.00 O ATOM 515 OE2 GLU A 31 19.207 5.735 -0.423 1.00 0.00 O ATOM 0 H GLU A 31 18.546 1.917 -1.689 1.00 0.00 H new ATOM 0 HA GLU A 31 18.990 0.859 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.370 3.286 0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 31 18.074 2.959 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.366 3.060 0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.692 3.313 -0.815 1.00 0.00 H new ATOM 522 N LEU A 32 16.065 0.743 -0.456 1.00 0.00 N ATOM 523 CA LEU A 32 14.725 0.108 -0.335 1.00 0.00 C ATOM 524 C LEU A 32 14.937 -1.375 -0.033 1.00 0.00 C ATOM 525 O LEU A 32 14.293 -1.934 0.832 1.00 0.00 O ATOM 526 CB LEU A 32 13.944 0.290 -1.644 1.00 0.00 C ATOM 527 CG LEU A 32 12.679 -0.579 -1.653 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.841 -0.305 -0.401 1.00 0.00 C ATOM 529 CD2 LEU A 32 11.852 -0.243 -2.897 1.00 0.00 C ATOM 0 H LEU A 32 16.253 1.198 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 32 14.148 0.570 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.671 1.338 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.578 0.025 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 32 12.966 -1.631 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.946 -0.927 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.428 -0.538 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.552 0.746 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.951 -0.856 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.574 0.811 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.442 -0.444 -3.791 1.00 0.00 H new ATOM 541 N LYS A 33 15.825 -2.031 -0.733 1.00 0.00 N ATOM 542 CA LYS A 33 16.035 -3.476 -0.458 1.00 0.00 C ATOM 543 C LYS A 33 16.301 -3.656 1.033 1.00 0.00 C ATOM 544 O LYS A 33 15.604 -4.376 1.720 1.00 0.00 O ATOM 545 CB LYS A 33 17.236 -3.985 -1.261 1.00 0.00 C ATOM 546 CG LYS A 33 17.304 -5.514 -1.178 1.00 0.00 C ATOM 547 CD LYS A 33 18.699 -5.994 -1.596 1.00 0.00 C ATOM 548 CE LYS A 33 19.034 -5.475 -2.999 1.00 0.00 C ATOM 549 NZ LYS A 33 19.506 -4.064 -2.906 1.00 0.00 N ATOM 0 H LYS A 33 16.405 -1.633 -1.472 1.00 0.00 H new ATOM 0 HA LYS A 33 15.150 -4.042 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.149 -3.671 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.156 -3.549 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.085 -5.843 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.547 -5.957 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 33 19.443 -5.641 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.737 -7.083 -1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.803 -6.098 -3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.155 -5.534 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.768 -3.427 -3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.709 -3.831 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.371 -3.949 -3.472 1.00 0.00 H new ATOM 563 N GLU A 34 17.311 -3.003 1.537 1.00 0.00 N ATOM 564 CA GLU A 34 17.627 -3.136 2.989 1.00 0.00 C ATOM 565 C GLU A 34 16.348 -2.916 3.808 1.00 0.00 C ATOM 566 O GLU A 34 16.125 -3.568 4.809 1.00 0.00 O ATOM 567 CB GLU A 34 18.675 -2.093 3.377 1.00 0.00 C ATOM 568 CG GLU A 34 19.954 -2.338 2.574 1.00 0.00 C ATOM 569 CD GLU A 34 21.064 -1.420 3.087 1.00 0.00 C ATOM 570 OE1 GLU A 34 21.103 -1.180 4.281 1.00 0.00 O ATOM 571 OE2 GLU A 34 21.857 -0.971 2.274 1.00 0.00 O ATOM 0 H GLU A 34 17.929 -2.386 1.010 1.00 0.00 H new ATOM 0 HA GLU A 34 18.019 -4.133 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.296 -1.090 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.885 -2.152 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.259 -3.381 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.773 -2.150 1.516 1.00 0.00 H new ATOM 578 N LEU A 35 15.504 -2.010 3.394 1.00 0.00 N ATOM 579 CA LEU A 35 14.242 -1.763 4.154 1.00 0.00 C ATOM 580 C LEU A 35 13.333 -2.994 4.048 1.00 0.00 C ATOM 581 O LEU A 35 12.692 -3.378 5.006 1.00 0.00 O ATOM 582 CB LEU A 35 13.534 -0.527 3.589 1.00 0.00 C ATOM 583 CG LEU A 35 12.273 -0.208 4.407 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.650 0.149 5.858 1.00 0.00 C ATOM 585 CD2 LEU A 35 11.548 0.975 3.755 1.00 0.00 C ATOM 0 H LEU A 35 15.632 -1.431 2.564 1.00 0.00 H new ATOM 0 HA LEU A 35 14.475 -1.584 5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.211 0.327 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.265 -0.699 2.547 1.00 0.00 H new ATOM 0 HG LEU A 35 11.622 -1.082 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.746 0.372 6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.167 -0.693 6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.304 1.021 5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.651 1.211 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.208 1.843 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.270 0.713 2.734 1.00 0.00 H new ATOM 597 N ILE A 36 13.285 -3.636 2.912 1.00 0.00 N ATOM 598 CA ILE A 36 12.436 -4.857 2.777 1.00 0.00 C ATOM 599 C ILE A 36 12.902 -5.912 3.784 1.00 0.00 C ATOM 600 O ILE A 36 12.124 -6.695 4.292 1.00 0.00 O ATOM 601 CB ILE A 36 12.601 -5.421 1.360 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.018 -4.420 0.351 1.00 0.00 C ATOM 603 CG2 ILE A 36 11.857 -6.760 1.251 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.281 -4.897 -1.082 1.00 0.00 C ATOM 0 H ILE A 36 13.797 -3.369 2.071 1.00 0.00 H new ATOM 0 HA ILE A 36 11.393 -4.603 2.964 1.00 0.00 H new ATOM 0 HB ILE A 36 13.658 -5.581 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.946 -4.311 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.465 -3.438 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.974 -7.161 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.270 -7.465 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.798 -6.606 1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.863 -4.179 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.355 -4.983 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.812 -5.869 -1.234 1.00 0.00 H new ATOM 616 N ASN A 37 14.181 -5.962 4.034 1.00 0.00 N ATOM 617 CA ASN A 37 14.737 -6.991 4.959 1.00 0.00 C ATOM 618 C ASN A 37 14.239 -6.808 6.398 1.00 0.00 C ATOM 619 O ASN A 37 13.853 -7.757 7.046 1.00 0.00 O ATOM 620 CB ASN A 37 16.263 -6.887 4.951 1.00 0.00 C ATOM 621 CG ASN A 37 16.851 -7.948 5.882 1.00 0.00 C ATOM 622 OD1 ASN A 37 17.494 -8.877 5.434 1.00 0.00 O ATOM 623 ND2 ASN A 37 16.657 -7.850 7.168 1.00 0.00 N ATOM 0 H ASN A 37 14.872 -5.328 3.633 1.00 0.00 H new ATOM 0 HA ASN A 37 14.403 -7.968 4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.642 -7.026 3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.572 -5.893 5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.045 -8.553 7.797 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.117 -7.071 7.544 1.00 0.00 H new ATOM 630 N ASN A 38 14.289 -5.614 6.926 1.00 0.00 N ATOM 631 CA ASN A 38 13.863 -5.404 8.349 1.00 0.00 C ATOM 632 C ASN A 38 12.368 -5.085 8.454 1.00 0.00 C ATOM 633 O ASN A 38 11.886 -4.762 9.522 1.00 0.00 O ATOM 634 CB ASN A 38 14.664 -4.245 8.943 1.00 0.00 C ATOM 635 CG ASN A 38 14.427 -4.180 10.453 1.00 0.00 C ATOM 636 OD1 ASN A 38 13.780 -5.041 11.016 1.00 0.00 O ATOM 637 ND2 ASN A 38 14.928 -3.189 11.138 1.00 0.00 N ATOM 0 H ASN A 38 14.605 -4.775 6.439 1.00 0.00 H new ATOM 0 HA ASN A 38 14.050 -6.327 8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.726 -4.380 8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.365 -3.306 8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.777 -3.137 12.145 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.471 -2.466 10.666 1.00 0.00 H new ATOM 644 N GLU A 39 11.630 -5.152 7.372 1.00 0.00 N ATOM 645 CA GLU A 39 10.162 -4.829 7.435 1.00 0.00 C ATOM 646 C GLU A 39 9.322 -6.012 6.945 1.00 0.00 C ATOM 647 O GLU A 39 8.154 -6.113 7.266 1.00 0.00 O ATOM 648 CB GLU A 39 9.877 -3.616 6.547 1.00 0.00 C ATOM 649 CG GLU A 39 10.552 -2.377 7.138 1.00 0.00 C ATOM 650 CD GLU A 39 9.821 -1.949 8.413 1.00 0.00 C ATOM 651 OE1 GLU A 39 8.787 -2.527 8.704 1.00 0.00 O ATOM 652 OE2 GLU A 39 10.310 -1.050 9.078 1.00 0.00 O ATOM 0 H GLU A 39 11.976 -5.415 6.449 1.00 0.00 H new ATOM 0 HA GLU A 39 9.897 -4.615 8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.246 -3.797 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.802 -3.454 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.597 -2.592 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.542 -1.564 6.412 1.00 0.00 H new ATOM 659 N LEU A 40 9.893 -6.906 6.172 1.00 0.00 N ATOM 660 CA LEU A 40 9.112 -8.085 5.662 1.00 0.00 C ATOM 661 C LEU A 40 9.797 -9.391 6.088 1.00 0.00 C ATOM 662 O LEU A 40 9.630 -10.421 5.467 1.00 0.00 O ATOM 663 CB LEU A 40 9.030 -8.007 4.126 1.00 0.00 C ATOM 664 CG LEU A 40 7.858 -7.091 3.703 1.00 0.00 C ATOM 665 CD1 LEU A 40 8.132 -6.496 2.317 1.00 0.00 C ATOM 666 CD2 LEU A 40 6.551 -7.899 3.653 1.00 0.00 C ATOM 0 H LEU A 40 10.867 -6.872 5.871 1.00 0.00 H new ATOM 0 HA LEU A 40 8.106 -8.067 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.967 -7.622 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.890 -9.005 3.710 1.00 0.00 H new ATOM 0 HG LEU A 40 7.763 -6.287 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.302 -5.852 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.051 -5.911 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.238 -7.301 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.731 -7.246 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.651 -8.709 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.343 -8.315 4.639 1.00 0.00 H new ATOM 678 N SER A 41 10.561 -9.354 7.146 1.00 0.00 N ATOM 679 CA SER A 41 11.250 -10.591 7.615 1.00 0.00 C ATOM 680 C SER A 41 10.235 -11.534 8.266 1.00 0.00 C ATOM 681 O SER A 41 10.428 -12.733 8.309 1.00 0.00 O ATOM 682 CB SER A 41 12.326 -10.222 8.642 1.00 0.00 C ATOM 683 OG SER A 41 11.762 -10.246 9.947 1.00 0.00 O ATOM 0 H SER A 41 10.738 -8.520 7.706 1.00 0.00 H new ATOM 0 HA SER A 41 11.712 -11.087 6.762 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.158 -10.923 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.727 -9.232 8.425 1.00 0.00 H new ATOM 0 HG SER A 41 10.946 -9.703 9.961 1.00 0.00 H new ATOM 689 N HIS A 42 9.159 -11.004 8.783 1.00 0.00 N ATOM 690 CA HIS A 42 8.142 -11.873 9.439 1.00 0.00 C ATOM 691 C HIS A 42 7.366 -12.662 8.382 1.00 0.00 C ATOM 692 O HIS A 42 7.236 -13.867 8.465 1.00 0.00 O ATOM 693 CB HIS A 42 7.169 -11.001 10.236 1.00 0.00 C ATOM 694 CG HIS A 42 7.885 -10.404 11.417 1.00 0.00 C ATOM 695 ND1 HIS A 42 9.183 -9.927 11.330 1.00 0.00 N ATOM 696 CD2 HIS A 42 7.497 -10.202 12.718 1.00 0.00 C ATOM 697 CE1 HIS A 42 9.528 -9.466 12.546 1.00 0.00 C ATOM 698 NE2 HIS A 42 8.536 -9.609 13.430 1.00 0.00 N ATOM 0 H HIS A 42 8.941 -10.008 8.779 1.00 0.00 H new ATOM 0 HA HIS A 42 8.646 -12.571 10.107 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.769 -10.210 9.602 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.322 -11.598 10.574 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.532 -10.463 13.127 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.490 -9.033 12.779 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.539 -9.341 14.414 1.00 0.00 H new ATOM 706 N PHE A 43 6.844 -11.994 7.390 1.00 0.00 N ATOM 707 CA PHE A 43 6.074 -12.712 6.336 1.00 0.00 C ATOM 708 C PHE A 43 7.007 -13.666 5.586 1.00 0.00 C ATOM 709 O PHE A 43 6.570 -14.565 4.897 1.00 0.00 O ATOM 710 CB PHE A 43 5.471 -11.697 5.362 1.00 0.00 C ATOM 711 CG PHE A 43 4.395 -10.903 6.066 1.00 0.00 C ATOM 712 CD1 PHE A 43 3.075 -11.373 6.090 1.00 0.00 C ATOM 713 CD2 PHE A 43 4.716 -9.694 6.697 1.00 0.00 C ATOM 714 CE1 PHE A 43 2.080 -10.636 6.743 1.00 0.00 C ATOM 715 CE2 PHE A 43 3.720 -8.957 7.350 1.00 0.00 C ATOM 716 CZ PHE A 43 2.402 -9.429 7.373 1.00 0.00 C ATOM 0 H PHE A 43 6.917 -10.984 7.264 1.00 0.00 H new ATOM 0 HA PHE A 43 5.269 -13.285 6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.247 -11.028 4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.052 -12.211 4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.825 -12.305 5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.733 -9.330 6.680 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.063 -10.999 6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.969 -8.025 7.836 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.634 -8.861 7.877 1.00 0.00 H new ATOM 726 N LEU A 44 8.292 -13.470 5.712 1.00 0.00 N ATOM 727 CA LEU A 44 9.267 -14.351 5.003 1.00 0.00 C ATOM 728 C LEU A 44 8.858 -15.821 5.180 1.00 0.00 C ATOM 729 O LEU A 44 9.050 -16.641 4.304 1.00 0.00 O ATOM 730 CB LEU A 44 10.671 -14.113 5.601 1.00 0.00 C ATOM 731 CG LEU A 44 11.774 -14.342 4.548 1.00 0.00 C ATOM 732 CD1 LEU A 44 11.634 -15.743 3.937 1.00 0.00 C ATOM 733 CD2 LEU A 44 11.696 -13.272 3.435 1.00 0.00 C ATOM 0 H LEU A 44 8.711 -12.733 6.279 1.00 0.00 H new ATOM 0 HA LEU A 44 9.278 -14.119 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.737 -13.095 5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.827 -14.783 6.446 1.00 0.00 H new ATOM 0 HG LEU A 44 12.743 -14.260 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.417 -15.896 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.727 -16.493 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.658 -15.836 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.483 -13.451 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.724 -13.327 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.826 -12.282 3.872 1.00 0.00 H new ATOM 745 N GLU A 45 8.300 -16.160 6.306 1.00 0.00 N ATOM 746 CA GLU A 45 7.890 -17.573 6.536 1.00 0.00 C ATOM 747 C GLU A 45 6.578 -17.871 5.803 1.00 0.00 C ATOM 748 O GLU A 45 6.367 -18.961 5.310 1.00 0.00 O ATOM 749 CB GLU A 45 7.695 -17.809 8.035 1.00 0.00 C ATOM 750 CG GLU A 45 8.919 -17.299 8.798 1.00 0.00 C ATOM 751 CD GLU A 45 8.794 -17.678 10.275 1.00 0.00 C ATOM 752 OE1 GLU A 45 7.702 -17.560 10.806 1.00 0.00 O ATOM 753 OE2 GLU A 45 9.792 -18.079 10.850 1.00 0.00 O ATOM 0 H GLU A 45 8.110 -15.521 7.078 1.00 0.00 H new ATOM 0 HA GLU A 45 8.669 -18.233 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.798 -17.295 8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.549 -18.871 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.828 -17.728 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.000 -16.217 8.695 1.00 0.00 H new ATOM 760 N GLU A 46 5.686 -16.919 5.746 1.00 0.00 N ATOM 761 CA GLU A 46 4.374 -17.157 5.066 1.00 0.00 C ATOM 762 C GLU A 46 4.455 -16.808 3.573 1.00 0.00 C ATOM 763 O GLU A 46 3.684 -16.011 3.077 1.00 0.00 O ATOM 764 CB GLU A 46 3.304 -16.289 5.731 1.00 0.00 C ATOM 765 CG GLU A 46 3.166 -16.689 7.202 1.00 0.00 C ATOM 766 CD GLU A 46 2.177 -15.752 7.898 1.00 0.00 C ATOM 767 OE1 GLU A 46 2.592 -14.678 8.302 1.00 0.00 O ATOM 768 OE2 GLU A 46 1.021 -16.124 8.016 1.00 0.00 O ATOM 0 H GLU A 46 5.806 -15.986 6.140 1.00 0.00 H new ATOM 0 HA GLU A 46 4.119 -18.213 5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.574 -15.236 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.350 -16.412 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.821 -17.720 7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.137 -16.641 7.695 1.00 0.00 H new ATOM 775 N ILE A 47 5.363 -17.419 2.848 1.00 0.00 N ATOM 776 CA ILE A 47 5.481 -17.155 1.373 1.00 0.00 C ATOM 777 C ILE A 47 5.454 -18.498 0.636 1.00 0.00 C ATOM 778 O ILE A 47 6.197 -19.404 0.960 1.00 0.00 O ATOM 779 CB ILE A 47 6.795 -16.419 1.075 1.00 0.00 C ATOM 780 CG1 ILE A 47 6.682 -14.975 1.579 1.00 0.00 C ATOM 781 CG2 ILE A 47 7.052 -16.409 -0.439 1.00 0.00 C ATOM 782 CD1 ILE A 47 8.041 -14.274 1.478 1.00 0.00 C ATOM 0 H ILE A 47 6.033 -18.094 3.216 1.00 0.00 H new ATOM 0 HA ILE A 47 4.652 -16.530 1.039 1.00 0.00 H new ATOM 0 HB ILE A 47 7.620 -16.926 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.940 -14.434 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.337 -14.968 2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.985 -15.886 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.122 -17.434 -0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.231 -15.900 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.950 -13.249 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.772 -14.808 2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.369 -14.265 0.439 1.00 0.00 H new ATOM 794 N LYS A 48 4.600 -18.637 -0.351 1.00 0.00 N ATOM 795 CA LYS A 48 4.515 -19.927 -1.110 1.00 0.00 C ATOM 796 C LYS A 48 5.217 -19.777 -2.463 1.00 0.00 C ATOM 797 O LYS A 48 6.108 -20.533 -2.797 1.00 0.00 O ATOM 798 CB LYS A 48 3.037 -20.279 -1.330 1.00 0.00 C ATOM 799 CG LYS A 48 2.904 -21.511 -2.239 1.00 0.00 C ATOM 800 CD LYS A 48 3.743 -22.672 -1.683 1.00 0.00 C ATOM 801 CE LYS A 48 3.223 -24.002 -2.238 1.00 0.00 C ATOM 802 NZ LYS A 48 1.975 -24.386 -1.519 1.00 0.00 N ATOM 0 H LYS A 48 3.956 -17.911 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 48 5.002 -20.721 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.557 -20.475 -0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.519 -19.432 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.858 -21.809 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.234 -21.265 -3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.790 -22.539 -1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.695 -22.678 -0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.027 -23.911 -3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.978 -24.779 -2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.789 -25.399 -1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.087 -24.196 -0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.177 -23.831 -1.889 1.00 0.00 H new ATOM 816 N GLU A 49 4.819 -18.812 -3.249 1.00 0.00 N ATOM 817 CA GLU A 49 5.461 -18.624 -4.583 1.00 0.00 C ATOM 818 C GLU A 49 6.853 -18.012 -4.403 1.00 0.00 C ATOM 819 O GLU A 49 6.988 -16.844 -4.098 1.00 0.00 O ATOM 820 CB GLU A 49 4.601 -17.692 -5.438 1.00 0.00 C ATOM 821 CG GLU A 49 3.144 -18.158 -5.400 1.00 0.00 C ATOM 822 CD GLU A 49 2.281 -17.203 -6.226 1.00 0.00 C ATOM 823 OE1 GLU A 49 1.824 -16.218 -5.670 1.00 0.00 O ATOM 824 OE2 GLU A 49 2.093 -17.472 -7.401 1.00 0.00 O ATOM 0 H GLU A 49 4.079 -18.147 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 49 5.552 -19.591 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.676 -16.670 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.965 -17.686 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.065 -19.171 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.788 -18.189 -4.370 1.00 0.00 H new ATOM 831 N GLN A 50 7.889 -18.782 -4.601 1.00 0.00 N ATOM 832 CA GLN A 50 9.268 -18.231 -4.454 1.00 0.00 C ATOM 833 C GLN A 50 9.684 -17.546 -5.759 1.00 0.00 C ATOM 834 O GLN A 50 10.534 -16.677 -5.772 1.00 0.00 O ATOM 835 CB GLN A 50 10.239 -19.374 -4.147 1.00 0.00 C ATOM 836 CG GLN A 50 9.895 -19.985 -2.786 1.00 0.00 C ATOM 837 CD GLN A 50 10.588 -21.341 -2.643 1.00 0.00 C ATOM 838 OE1 GLN A 50 11.049 -21.906 -3.615 1.00 0.00 O ATOM 839 NE2 GLN A 50 10.680 -21.892 -1.464 1.00 0.00 N ATOM 0 H GLN A 50 7.841 -19.768 -4.858 1.00 0.00 H new ATOM 0 HA GLN A 50 9.288 -17.506 -3.640 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.179 -20.135 -4.925 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.264 -19.003 -4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.212 -19.317 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.816 -20.105 -2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.293 -21.418 -0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.139 -22.797 -1.358 1.00 0.00 H new ATOM 848 N GLU A 51 9.097 -17.936 -6.857 1.00 0.00 N ATOM 849 CA GLU A 51 9.463 -17.314 -8.163 1.00 0.00 C ATOM 850 C GLU A 51 8.896 -15.893 -8.248 1.00 0.00 C ATOM 851 O GLU A 51 9.412 -15.063 -8.968 1.00 0.00 O ATOM 852 CB GLU A 51 8.940 -18.164 -9.321 1.00 0.00 C ATOM 853 CG GLU A 51 9.659 -19.515 -9.331 1.00 0.00 C ATOM 854 CD GLU A 51 9.147 -20.382 -8.178 1.00 0.00 C ATOM 855 OE1 GLU A 51 8.061 -20.109 -7.693 1.00 0.00 O ATOM 856 OE2 GLU A 51 9.849 -21.305 -7.800 1.00 0.00 O ATOM 0 H GLU A 51 8.379 -18.659 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 51 10.549 -17.262 -8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.865 -18.313 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.102 -17.647 -10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.490 -20.021 -10.282 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.735 -19.366 -9.236 1.00 0.00 H new ATOM 863 N VAL A 52 7.877 -15.581 -7.497 1.00 0.00 N ATOM 864 CA VAL A 52 7.351 -14.188 -7.531 1.00 0.00 C ATOM 865 C VAL A 52 8.352 -13.294 -6.804 1.00 0.00 C ATOM 866 O VAL A 52 8.729 -12.248 -7.293 1.00 0.00 O ATOM 867 CB VAL A 52 6.004 -14.116 -6.808 1.00 0.00 C ATOM 868 CG1 VAL A 52 5.548 -12.658 -6.725 1.00 0.00 C ATOM 869 CG2 VAL A 52 4.962 -14.928 -7.576 1.00 0.00 C ATOM 0 H VAL A 52 7.391 -16.221 -6.869 1.00 0.00 H new ATOM 0 HA VAL A 52 7.214 -13.866 -8.563 1.00 0.00 H new ATOM 0 HB VAL A 52 6.113 -14.525 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.589 -12.606 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.287 -12.076 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.443 -12.252 -7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.005 -14.874 -7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.854 -14.522 -8.582 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.284 -15.968 -7.637 1.00 0.00 H new ATOM 879 N VAL A 53 8.794 -13.691 -5.645 1.00 0.00 N ATOM 880 CA VAL A 53 9.775 -12.851 -4.910 1.00 0.00 C ATOM 881 C VAL A 53 11.063 -12.761 -5.727 1.00 0.00 C ATOM 882 O VAL A 53 11.748 -11.758 -5.722 1.00 0.00 O ATOM 883 CB VAL A 53 10.073 -13.487 -3.551 1.00 0.00 C ATOM 884 CG1 VAL A 53 11.003 -12.571 -2.753 1.00 0.00 C ATOM 885 CG2 VAL A 53 8.765 -13.676 -2.780 1.00 0.00 C ATOM 0 H VAL A 53 8.520 -14.555 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 53 9.366 -11.852 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 53 10.553 -14.454 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.216 -13.023 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.935 -12.432 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.522 -11.604 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.976 -14.129 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.287 -12.708 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.099 -14.326 -3.347 1.00 0.00 H new ATOM 895 N ASP A 54 11.397 -13.810 -6.428 1.00 0.00 N ATOM 896 CA ASP A 54 12.639 -13.799 -7.247 1.00 0.00 C ATOM 897 C ASP A 54 12.572 -12.661 -8.268 1.00 0.00 C ATOM 898 O ASP A 54 13.523 -11.928 -8.458 1.00 0.00 O ATOM 899 CB ASP A 54 12.776 -15.132 -7.986 1.00 0.00 C ATOM 900 CG ASP A 54 13.005 -16.258 -6.977 1.00 0.00 C ATOM 901 OD1 ASP A 54 13.435 -15.960 -5.874 1.00 0.00 O ATOM 902 OD2 ASP A 54 12.749 -17.399 -7.324 1.00 0.00 O ATOM 0 H ASP A 54 10.860 -14.676 -6.468 1.00 0.00 H new ATOM 0 HA ASP A 54 13.499 -13.652 -6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.877 -15.330 -8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.608 -15.086 -8.689 1.00 0.00 H new ATOM 907 N LYS A 55 11.459 -12.516 -8.941 1.00 0.00 N ATOM 908 CA LYS A 55 11.344 -11.435 -9.962 1.00 0.00 C ATOM 909 C LYS A 55 11.306 -10.072 -9.273 1.00 0.00 C ATOM 910 O LYS A 55 11.710 -9.078 -9.843 1.00 0.00 O ATOM 911 CB LYS A 55 10.078 -11.629 -10.799 1.00 0.00 C ATOM 912 CG LYS A 55 10.193 -12.905 -11.649 1.00 0.00 C ATOM 913 CD LYS A 55 11.041 -12.643 -12.901 1.00 0.00 C ATOM 914 CE LYS A 55 10.866 -13.801 -13.884 1.00 0.00 C ATOM 915 NZ LYS A 55 9.536 -13.690 -14.547 1.00 0.00 N ATOM 0 H LYS A 55 10.629 -13.098 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 55 12.211 -11.480 -10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.208 -11.696 -10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.925 -10.765 -11.446 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.643 -13.703 -11.058 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.199 -13.246 -11.940 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.739 -11.706 -13.369 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.091 -12.539 -12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.660 -13.782 -14.631 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.945 -14.753 -13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.540 -14.242 -15.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.800 -14.058 -13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.339 -12.692 -14.764 1.00 0.00 H new ATOM 929 N VAL A 56 10.866 -10.006 -8.047 1.00 0.00 N ATOM 930 CA VAL A 56 10.861 -8.696 -7.342 1.00 0.00 C ATOM 931 C VAL A 56 12.314 -8.260 -7.149 1.00 0.00 C ATOM 932 O VAL A 56 12.716 -7.198 -7.578 1.00 0.00 O ATOM 933 CB VAL A 56 10.168 -8.860 -5.980 1.00 0.00 C ATOM 934 CG1 VAL A 56 10.483 -7.663 -5.078 1.00 0.00 C ATOM 935 CG2 VAL A 56 8.654 -8.940 -6.197 1.00 0.00 C ATOM 0 H VAL A 56 10.513 -10.796 -7.507 1.00 0.00 H new ATOM 0 HA VAL A 56 10.323 -7.944 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 56 10.530 -9.770 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.986 -7.791 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.560 -7.597 -4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.127 -6.748 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.154 -9.057 -5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.307 -8.026 -6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.422 -9.795 -6.832 1.00 0.00 H new ATOM 945 N MET A 57 13.105 -9.075 -6.507 1.00 0.00 N ATOM 946 CA MET A 57 14.529 -8.705 -6.290 1.00 0.00 C ATOM 947 C MET A 57 15.174 -8.351 -7.630 1.00 0.00 C ATOM 948 O MET A 57 16.116 -7.584 -7.691 1.00 0.00 O ATOM 949 CB MET A 57 15.273 -9.882 -5.654 1.00 0.00 C ATOM 950 CG MET A 57 14.739 -10.122 -4.240 1.00 0.00 C ATOM 951 SD MET A 57 15.280 -8.777 -3.154 1.00 0.00 S ATOM 952 CE MET A 57 14.746 -9.514 -1.588 1.00 0.00 C ATOM 0 H MET A 57 12.826 -9.979 -6.125 1.00 0.00 H new ATOM 0 HA MET A 57 14.583 -7.843 -5.625 1.00 0.00 H new ATOM 0 HB2 MET A 57 15.142 -10.778 -6.260 1.00 0.00 H new ATOM 0 HB3 MET A 57 16.342 -9.674 -5.619 1.00 0.00 H new ATOM 0 HG2 MET A 57 13.650 -10.176 -4.255 1.00 0.00 H new ATOM 0 HG3 MET A 57 15.100 -11.078 -3.861 1.00 0.00 H new ATOM 0 HE1 MET A 57 14.987 -8.839 -0.767 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.670 -9.683 -1.614 1.00 0.00 H new ATOM 0 HE3 MET A 57 15.259 -10.464 -1.439 1.00 0.00 H new ATOM 962 N GLU A 58 14.661 -8.884 -8.716 1.00 0.00 N ATOM 963 CA GLU A 58 15.225 -8.558 -10.061 1.00 0.00 C ATOM 964 C GLU A 58 14.525 -7.311 -10.607 1.00 0.00 C ATOM 965 O GLU A 58 15.146 -6.459 -11.210 1.00 0.00 O ATOM 966 CB GLU A 58 15.036 -9.751 -11.011 1.00 0.00 C ATOM 967 CG GLU A 58 16.076 -9.707 -12.137 1.00 0.00 C ATOM 968 CD GLU A 58 15.794 -8.518 -13.055 1.00 0.00 C ATOM 969 OE1 GLU A 58 14.652 -8.091 -13.106 1.00 0.00 O ATOM 970 OE2 GLU A 58 16.725 -8.058 -13.695 1.00 0.00 O ATOM 0 H GLU A 58 13.874 -9.532 -8.725 1.00 0.00 H new ATOM 0 HA GLU A 58 16.293 -8.357 -9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.130 -10.684 -10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.032 -9.732 -11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.078 -9.624 -11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.046 -10.635 -12.709 1.00 0.00 H new ATOM 977 N THR A 59 13.243 -7.178 -10.388 1.00 0.00 N ATOM 978 CA THR A 59 12.540 -5.964 -10.889 1.00 0.00 C ATOM 979 C THR A 59 13.055 -4.769 -10.096 1.00 0.00 C ATOM 980 O THR A 59 13.417 -3.756 -10.662 1.00 0.00 O ATOM 981 CB THR A 59 11.026 -6.109 -10.714 1.00 0.00 C ATOM 982 OG1 THR A 59 10.625 -7.404 -11.140 1.00 0.00 O ATOM 983 CG2 THR A 59 10.310 -5.049 -11.552 1.00 0.00 C ATOM 0 H THR A 59 12.659 -7.850 -9.890 1.00 0.00 H new ATOM 0 HA THR A 59 12.736 -5.827 -11.952 1.00 0.00 H new ATOM 0 HB THR A 59 10.766 -5.974 -9.664 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.689 -8.030 -10.389 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.232 -5.153 -11.427 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.619 -4.056 -11.225 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.568 -5.181 -12.603 1.00 0.00 H new ATOM 991 N LEU A 60 13.145 -4.880 -8.804 1.00 0.00 N ATOM 992 CA LEU A 60 13.698 -3.757 -8.006 1.00 0.00 C ATOM 993 C LEU A 60 15.126 -3.493 -8.482 1.00 0.00 C ATOM 994 O LEU A 60 15.457 -2.402 -8.902 1.00 0.00 O ATOM 995 CB LEU A 60 13.705 -4.166 -6.526 1.00 0.00 C ATOM 996 CG LEU A 60 14.488 -3.150 -5.684 1.00 0.00 C ATOM 997 CD1 LEU A 60 13.937 -1.739 -5.922 1.00 0.00 C ATOM 998 CD2 LEU A 60 14.343 -3.512 -4.202 1.00 0.00 C ATOM 0 H LEU A 60 12.860 -5.699 -8.266 1.00 0.00 H new ATOM 0 HA LEU A 60 13.097 -2.856 -8.128 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.681 -4.237 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.151 -5.155 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 60 15.539 -3.174 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.498 -1.023 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 60 14.036 -1.483 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.885 -1.706 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 60 14.897 -2.795 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.290 -3.486 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.739 -4.513 -4.032 1.00 0.00 H new ATOM 1010 N ASP A 61 15.976 -4.481 -8.425 1.00 0.00 N ATOM 1011 CA ASP A 61 17.377 -4.274 -8.883 1.00 0.00 C ATOM 1012 C ASP A 61 17.367 -3.631 -10.271 1.00 0.00 C ATOM 1013 O ASP A 61 18.350 -3.065 -10.707 1.00 0.00 O ATOM 1014 CB ASP A 61 18.100 -5.621 -8.949 1.00 0.00 C ATOM 1015 CG ASP A 61 19.573 -5.392 -9.290 1.00 0.00 C ATOM 1016 OD1 ASP A 61 20.155 -4.475 -8.733 1.00 0.00 O ATOM 1017 OD2 ASP A 61 20.096 -6.137 -10.103 1.00 0.00 O ATOM 0 H ASP A 61 15.762 -5.418 -8.083 1.00 0.00 H new ATOM 0 HA ASP A 61 17.896 -3.620 -8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.013 -6.140 -7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.636 -6.258 -9.702 1.00 0.00 H new ATOM 1022 N GLU A 62 16.259 -3.717 -10.972 1.00 0.00 N ATOM 1023 CA GLU A 62 16.175 -3.113 -12.342 1.00 0.00 C ATOM 1024 C GLU A 62 15.433 -1.786 -12.265 1.00 0.00 C ATOM 1025 O GLU A 62 14.632 -1.442 -13.111 1.00 0.00 O ATOM 1026 CB GLU A 62 15.422 -4.034 -13.257 1.00 0.00 C ATOM 1027 CG GLU A 62 16.276 -5.251 -13.609 1.00 0.00 C ATOM 1028 CD GLU A 62 17.347 -4.847 -14.623 1.00 0.00 C ATOM 1029 OE1 GLU A 62 17.046 -4.033 -15.481 1.00 0.00 O ATOM 1030 OE2 GLU A 62 18.449 -5.358 -14.525 1.00 0.00 O ATOM 0 H GLU A 62 15.408 -4.180 -10.653 1.00 0.00 H new ATOM 0 HA GLU A 62 17.183 -2.957 -12.725 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.498 -4.357 -12.778 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.141 -3.503 -14.167 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.744 -5.652 -12.710 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.649 -6.041 -14.022 1.00 0.00 H new ATOM 1037 N ASP A 63 15.726 -1.049 -11.265 1.00 0.00 N ATOM 1038 CA ASP A 63 15.094 0.292 -11.076 1.00 0.00 C ATOM 1039 C ASP A 63 15.090 1.040 -12.411 1.00 0.00 C ATOM 1040 O ASP A 63 14.157 1.743 -12.744 1.00 0.00 O ATOM 1041 CB ASP A 63 15.950 1.088 -10.084 1.00 0.00 C ATOM 1042 CG ASP A 63 15.354 2.487 -9.904 1.00 0.00 C ATOM 1043 OD1 ASP A 63 14.165 2.636 -10.132 1.00 0.00 O ATOM 1044 OD2 ASP A 63 16.096 3.384 -9.540 1.00 0.00 O ATOM 0 H ASP A 63 16.394 -1.309 -10.539 1.00 0.00 H new ATOM 0 HA ASP A 63 14.074 0.177 -10.709 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.989 0.572 -9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.975 1.162 -10.449 1.00 0.00 H new ATOM 1049 N GLY A 64 16.118 0.837 -13.188 1.00 0.00 N ATOM 1050 CA GLY A 64 16.215 1.470 -14.541 1.00 0.00 C ATOM 1051 C GLY A 64 15.953 2.986 -14.500 1.00 0.00 C ATOM 1052 O GLY A 64 16.134 3.661 -15.494 1.00 0.00 O ATOM 0 H GLY A 64 16.913 0.248 -12.940 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.207 1.287 -14.955 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.497 0.998 -15.212 1.00 0.00 H new ATOM 1056 N ASP A 65 15.543 3.541 -13.376 1.00 0.00 N ATOM 1057 CA ASP A 65 15.289 5.030 -13.313 1.00 0.00 C ATOM 1058 C ASP A 65 16.420 5.781 -12.562 1.00 0.00 C ATOM 1059 O ASP A 65 16.684 6.925 -12.877 1.00 0.00 O ATOM 1060 CB ASP A 65 13.968 5.274 -12.583 1.00 0.00 C ATOM 1061 CG ASP A 65 12.810 4.747 -13.431 1.00 0.00 C ATOM 1062 OD1 ASP A 65 12.964 4.691 -14.640 1.00 0.00 O ATOM 1063 OD2 ASP A 65 11.788 4.407 -12.857 1.00 0.00 O ATOM 0 H ASP A 65 15.374 3.036 -12.506 1.00 0.00 H new ATOM 0 HA ASP A 65 15.252 5.409 -14.334 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.979 4.776 -11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.837 6.339 -12.392 1.00 0.00 H new ATOM 1068 N GLY A 66 17.088 5.197 -11.579 1.00 0.00 N ATOM 1069 CA GLY A 66 18.172 5.940 -10.852 1.00 0.00 C ATOM 1070 C GLY A 66 17.639 6.384 -9.488 1.00 0.00 C ATOM 1071 O GLY A 66 18.384 6.549 -8.542 1.00 0.00 O ATOM 0 H GLY A 66 16.926 4.244 -11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.047 5.302 -10.726 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.490 6.806 -11.433 1.00 0.00 H new ATOM 1075 N GLU A 67 16.346 6.556 -9.373 1.00 0.00 N ATOM 1076 CA GLU A 67 15.750 6.965 -8.061 1.00 0.00 C ATOM 1077 C GLU A 67 14.352 6.353 -7.929 1.00 0.00 C ATOM 1078 O GLU A 67 13.547 6.444 -8.834 1.00 0.00 O ATOM 1079 CB GLU A 67 15.656 8.490 -7.993 1.00 0.00 C ATOM 1080 CG GLU A 67 17.064 9.088 -8.006 1.00 0.00 C ATOM 1081 CD GLU A 67 16.987 10.585 -7.706 1.00 0.00 C ATOM 1082 OE1 GLU A 67 16.620 11.330 -8.600 1.00 0.00 O ATOM 1083 OE2 GLU A 67 17.295 10.961 -6.587 1.00 0.00 O ATOM 0 H GLU A 67 15.675 6.431 -10.131 1.00 0.00 H new ATOM 0 HA GLU A 67 16.380 6.610 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.081 8.868 -8.838 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.129 8.793 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.689 8.590 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.531 8.925 -8.977 1.00 0.00 H new ATOM 1090 N CYS A 68 14.051 5.728 -6.813 1.00 0.00 N ATOM 1091 CA CYS A 68 12.698 5.105 -6.628 1.00 0.00 C ATOM 1092 C CYS A 68 11.860 5.970 -5.682 1.00 0.00 C ATOM 1093 O CYS A 68 12.281 6.304 -4.593 1.00 0.00 O ATOM 1094 CB CYS A 68 12.864 3.706 -6.030 1.00 0.00 C ATOM 1095 SG CYS A 68 14.227 2.855 -6.863 1.00 0.00 S ATOM 0 H CYS A 68 14.685 5.622 -6.021 1.00 0.00 H new ATOM 0 HA CYS A 68 12.194 5.033 -7.592 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.064 3.777 -4.961 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.941 3.137 -6.145 1.00 0.00 H new ATOM 0 HG CYS A 68 14.003 1.574 -6.864 1.00 0.00 H new ATOM 1101 N ASP A 69 10.677 6.339 -6.095 1.00 0.00 N ATOM 1102 CA ASP A 69 9.807 7.187 -5.230 1.00 0.00 C ATOM 1103 C ASP A 69 9.040 6.307 -4.237 1.00 0.00 C ATOM 1104 O ASP A 69 9.253 5.114 -4.154 1.00 0.00 O ATOM 1105 CB ASP A 69 8.812 7.947 -6.109 1.00 0.00 C ATOM 1106 CG ASP A 69 8.147 6.973 -7.082 1.00 0.00 C ATOM 1107 OD1 ASP A 69 7.808 5.881 -6.656 1.00 0.00 O ATOM 1108 OD2 ASP A 69 7.988 7.334 -8.236 1.00 0.00 O ATOM 0 H ASP A 69 10.274 6.088 -6.998 1.00 0.00 H new ATOM 0 HA ASP A 69 10.427 7.893 -4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.057 8.431 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.325 8.735 -6.660 1.00 0.00 H new ATOM 1113 N PHE A 70 8.145 6.893 -3.488 1.00 0.00 N ATOM 1114 CA PHE A 70 7.354 6.097 -2.502 1.00 0.00 C ATOM 1115 C PHE A 70 6.308 5.263 -3.249 1.00 0.00 C ATOM 1116 O PHE A 70 5.885 4.227 -2.777 1.00 0.00 O ATOM 1117 CB PHE A 70 6.669 7.048 -1.515 1.00 0.00 C ATOM 1118 CG PHE A 70 6.043 6.269 -0.381 1.00 0.00 C ATOM 1119 CD1 PHE A 70 4.841 5.579 -0.582 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.660 6.246 0.877 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.257 4.868 0.473 1.00 0.00 C ATOM 1122 CE2 PHE A 70 6.075 5.534 1.931 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.874 4.845 1.729 1.00 0.00 C ATOM 0 H PHE A 70 7.926 7.889 -3.515 1.00 0.00 H new ATOM 0 HA PHE A 70 8.013 5.428 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.396 7.757 -1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.905 7.629 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.365 5.595 -1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.587 6.778 1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.330 4.337 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.551 5.517 2.900 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.423 4.296 2.542 1.00 0.00 H new ATOM 1133 N GLN A 71 5.893 5.687 -4.409 1.00 0.00 N ATOM 1134 CA GLN A 71 4.886 4.888 -5.165 1.00 0.00 C ATOM 1135 C GLN A 71 5.495 3.528 -5.520 1.00 0.00 C ATOM 1136 O GLN A 71 4.823 2.515 -5.508 1.00 0.00 O ATOM 1137 CB GLN A 71 4.507 5.627 -6.451 1.00 0.00 C ATOM 1138 CG GLN A 71 4.120 7.068 -6.117 1.00 0.00 C ATOM 1139 CD GLN A 71 3.658 7.781 -7.389 1.00 0.00 C ATOM 1140 OE1 GLN A 71 4.412 7.914 -8.333 1.00 0.00 O ATOM 1141 NE2 GLN A 71 2.441 8.248 -7.455 1.00 0.00 N ATOM 0 H GLN A 71 6.204 6.545 -4.865 1.00 0.00 H new ATOM 0 HA GLN A 71 3.994 4.747 -4.555 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.344 5.617 -7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.676 5.121 -6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.324 7.079 -5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.971 7.593 -5.682 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.808 8.136 -6.663 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.123 8.725 -8.299 1.00 0.00 H new ATOM 1150 N GLU A 72 6.762 3.495 -5.828 1.00 0.00 N ATOM 1151 CA GLU A 72 7.416 2.200 -6.174 1.00 0.00 C ATOM 1152 C GLU A 72 7.561 1.340 -4.913 1.00 0.00 C ATOM 1153 O GLU A 72 7.655 0.132 -4.978 1.00 0.00 O ATOM 1154 CB GLU A 72 8.791 2.463 -6.791 1.00 0.00 C ATOM 1155 CG GLU A 72 8.618 3.059 -8.191 1.00 0.00 C ATOM 1156 CD GLU A 72 9.934 3.695 -8.644 1.00 0.00 C ATOM 1157 OE1 GLU A 72 10.831 2.956 -9.013 1.00 0.00 O ATOM 1158 OE2 GLU A 72 10.021 4.912 -8.613 1.00 0.00 O ATOM 0 H GLU A 72 7.375 4.310 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 72 6.799 1.667 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.359 3.147 -6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.360 1.535 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.317 2.282 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.825 3.806 -8.184 1.00 0.00 H new ATOM 1165 N PHE A 73 7.552 1.961 -3.767 1.00 0.00 N ATOM 1166 CA PHE A 73 7.656 1.200 -2.487 1.00 0.00 C ATOM 1167 C PHE A 73 6.303 0.536 -2.182 1.00 0.00 C ATOM 1168 O PHE A 73 6.261 -0.607 -1.776 1.00 0.00 O ATOM 1169 CB PHE A 73 8.101 2.153 -1.358 1.00 0.00 C ATOM 1170 CG PHE A 73 7.636 1.660 0.000 1.00 0.00 C ATOM 1171 CD1 PHE A 73 6.301 1.830 0.386 1.00 0.00 C ATOM 1172 CD2 PHE A 73 8.541 1.040 0.871 1.00 0.00 C ATOM 1173 CE1 PHE A 73 5.871 1.379 1.639 1.00 0.00 C ATOM 1174 CE2 PHE A 73 8.110 0.589 2.125 1.00 0.00 C ATOM 1175 CZ PHE A 73 6.775 0.759 2.508 1.00 0.00 C ATOM 0 H PHE A 73 7.476 2.973 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 73 8.405 0.412 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.187 2.241 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.699 3.149 -1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.603 2.310 -0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.572 0.910 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.841 1.510 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.808 0.110 2.796 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.442 0.411 3.475 1.00 0.00 H new ATOM 1185 N MET A 74 5.205 1.202 -2.370 1.00 0.00 N ATOM 1186 CA MET A 74 3.908 0.525 -2.074 1.00 0.00 C ATOM 1187 C MET A 74 3.683 -0.593 -3.102 1.00 0.00 C ATOM 1188 O MET A 74 3.495 -1.736 -2.736 1.00 0.00 O ATOM 1189 CB MET A 74 2.755 1.534 -2.124 1.00 0.00 C ATOM 1190 CG MET A 74 1.557 0.983 -1.344 1.00 0.00 C ATOM 1191 SD MET A 74 1.938 0.993 0.431 1.00 0.00 S ATOM 1192 CE MET A 74 1.670 -0.768 0.766 1.00 0.00 C ATOM 0 H MET A 74 5.142 2.163 -2.707 1.00 0.00 H new ATOM 0 HA MET A 74 3.941 0.098 -1.072 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.072 2.486 -1.698 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.471 1.726 -3.159 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.672 1.588 -1.541 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.330 -0.031 -1.673 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.230 -0.887 1.756 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.995 -1.182 0.017 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.623 -1.295 0.727 1.00 0.00 H new ATOM 1202 N ALA A 75 3.693 -0.302 -4.372 1.00 0.00 N ATOM 1203 CA ALA A 75 3.471 -1.382 -5.380 1.00 0.00 C ATOM 1204 C ALA A 75 4.398 -2.573 -5.114 1.00 0.00 C ATOM 1205 O ALA A 75 3.978 -3.712 -5.175 1.00 0.00 O ATOM 1206 CB ALA A 75 3.750 -0.827 -6.778 1.00 0.00 C ATOM 0 H ALA A 75 3.844 0.630 -4.757 1.00 0.00 H new ATOM 0 HA ALA A 75 2.438 -1.723 -5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.590 -1.610 -7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.077 0.006 -6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.782 -0.481 -6.833 1.00 0.00 H new ATOM 1212 N PHE A 76 5.647 -2.339 -4.831 1.00 0.00 N ATOM 1213 CA PHE A 76 6.567 -3.490 -4.578 1.00 0.00 C ATOM 1214 C PHE A 76 6.212 -4.149 -3.240 1.00 0.00 C ATOM 1215 O PHE A 76 6.312 -5.350 -3.084 1.00 0.00 O ATOM 1216 CB PHE A 76 8.025 -2.997 -4.559 1.00 0.00 C ATOM 1217 CG PHE A 76 8.568 -2.952 -5.975 1.00 0.00 C ATOM 1218 CD1 PHE A 76 7.993 -2.091 -6.918 1.00 0.00 C ATOM 1219 CD2 PHE A 76 9.636 -3.779 -6.345 1.00 0.00 C ATOM 1220 CE1 PHE A 76 8.488 -2.055 -8.227 1.00 0.00 C ATOM 1221 CE2 PHE A 76 10.129 -3.745 -7.654 1.00 0.00 C ATOM 1222 CZ PHE A 76 9.556 -2.882 -8.595 1.00 0.00 C ATOM 0 H PHE A 76 6.071 -1.414 -4.763 1.00 0.00 H new ATOM 0 HA PHE A 76 6.455 -4.225 -5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.078 -2.006 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.635 -3.660 -3.946 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.167 -1.455 -6.635 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.080 -4.444 -5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.046 -1.389 -8.953 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.952 -4.385 -7.938 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.938 -2.854 -9.605 1.00 0.00 H new ATOM 1232 N VAL A 77 5.789 -3.380 -2.280 1.00 0.00 N ATOM 1233 CA VAL A 77 5.420 -3.980 -0.967 1.00 0.00 C ATOM 1234 C VAL A 77 4.144 -4.811 -1.150 1.00 0.00 C ATOM 1235 O VAL A 77 3.950 -5.819 -0.501 1.00 0.00 O ATOM 1236 CB VAL A 77 5.193 -2.864 0.066 1.00 0.00 C ATOM 1237 CG1 VAL A 77 4.439 -3.414 1.285 1.00 0.00 C ATOM 1238 CG2 VAL A 77 6.550 -2.311 0.522 1.00 0.00 C ATOM 0 H VAL A 77 5.682 -2.368 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 77 6.223 -4.623 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 77 4.601 -2.072 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.285 -2.614 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.473 -3.808 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.023 -4.211 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.393 -1.519 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.136 -3.112 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.086 -1.909 -0.337 1.00 0.00 H new ATOM 1248 N SER A 78 3.276 -4.396 -2.031 1.00 0.00 N ATOM 1249 CA SER A 78 2.018 -5.162 -2.257 1.00 0.00 C ATOM 1250 C SER A 78 2.341 -6.496 -2.934 1.00 0.00 C ATOM 1251 O SER A 78 1.940 -7.547 -2.476 1.00 0.00 O ATOM 1252 CB SER A 78 1.088 -4.353 -3.160 1.00 0.00 C ATOM 1253 OG SER A 78 -0.208 -4.937 -3.144 1.00 0.00 O ATOM 0 H SER A 78 3.384 -3.559 -2.604 1.00 0.00 H new ATOM 0 HA SER A 78 1.533 -5.349 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.038 -3.320 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.478 -4.333 -4.178 1.00 0.00 H new ATOM 0 HG SER A 78 -0.807 -4.419 -3.721 1.00 0.00 H new ATOM 1259 N MET A 79 3.048 -6.463 -4.029 1.00 0.00 N ATOM 1260 CA MET A 79 3.376 -7.729 -4.743 1.00 0.00 C ATOM 1261 C MET A 79 3.999 -8.727 -3.771 1.00 0.00 C ATOM 1262 O MET A 79 3.576 -9.860 -3.672 1.00 0.00 O ATOM 1263 CB MET A 79 4.372 -7.428 -5.866 1.00 0.00 C ATOM 1264 CG MET A 79 3.661 -6.677 -6.994 1.00 0.00 C ATOM 1265 SD MET A 79 4.894 -5.938 -8.095 1.00 0.00 S ATOM 1266 CE MET A 79 4.970 -7.285 -9.301 1.00 0.00 C ATOM 0 H MET A 79 3.413 -5.614 -4.461 1.00 0.00 H new ATOM 0 HA MET A 79 2.464 -8.156 -5.159 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.199 -6.830 -5.482 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.799 -8.356 -6.246 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.021 -7.359 -7.553 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.016 -5.902 -6.580 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.685 -7.033 -10.084 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.286 -8.202 -8.803 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.985 -7.433 -9.744 1.00 0.00 H new ATOM 1276 N VAL A 80 5.010 -8.317 -3.063 1.00 0.00 N ATOM 1277 CA VAL A 80 5.671 -9.249 -2.104 1.00 0.00 C ATOM 1278 C VAL A 80 4.643 -9.756 -1.089 1.00 0.00 C ATOM 1279 O VAL A 80 4.639 -10.915 -0.726 1.00 0.00 O ATOM 1280 CB VAL A 80 6.794 -8.514 -1.368 1.00 0.00 C ATOM 1281 CG1 VAL A 80 7.408 -9.438 -0.317 1.00 0.00 C ATOM 1282 CG2 VAL A 80 7.874 -8.095 -2.368 1.00 0.00 C ATOM 0 H VAL A 80 5.409 -7.379 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 80 6.087 -10.095 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 80 6.386 -7.629 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.207 -8.913 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.641 -9.736 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.814 -10.324 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.673 -7.572 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.280 -8.980 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.439 -7.434 -3.118 1.00 0.00 H new ATOM 1292 N THR A 81 3.763 -8.907 -0.637 1.00 0.00 N ATOM 1293 CA THR A 81 2.732 -9.360 0.338 1.00 0.00 C ATOM 1294 C THR A 81 1.755 -10.296 -0.376 1.00 0.00 C ATOM 1295 O THR A 81 1.449 -11.374 0.095 1.00 0.00 O ATOM 1296 CB THR A 81 1.973 -8.147 0.884 1.00 0.00 C ATOM 1297 OG1 THR A 81 2.903 -7.168 1.323 1.00 0.00 O ATOM 1298 CG2 THR A 81 1.091 -8.578 2.056 1.00 0.00 C ATOM 0 H THR A 81 3.713 -7.923 -0.899 1.00 0.00 H new ATOM 0 HA THR A 81 3.210 -9.884 1.165 1.00 0.00 H new ATOM 0 HB THR A 81 1.346 -7.727 0.098 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.974 -6.459 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.552 -7.713 2.443 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.377 -9.329 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.714 -9.000 2.845 1.00 0.00 H new ATOM 1306 N THR A 82 1.270 -9.888 -1.516 1.00 0.00 N ATOM 1307 CA THR A 82 0.317 -10.738 -2.282 1.00 0.00 C ATOM 1308 C THR A 82 1.065 -11.923 -2.902 1.00 0.00 C ATOM 1309 O THR A 82 0.472 -12.911 -3.285 1.00 0.00 O ATOM 1310 CB THR A 82 -0.332 -9.905 -3.390 1.00 0.00 C ATOM 1311 OG1 THR A 82 0.674 -9.419 -4.268 1.00 0.00 O ATOM 1312 CG2 THR A 82 -1.083 -8.726 -2.769 1.00 0.00 C ATOM 0 H THR A 82 1.495 -8.994 -1.953 1.00 0.00 H new ATOM 0 HA THR A 82 -0.454 -11.112 -1.609 1.00 0.00 H new ATOM 0 HB THR A 82 -1.032 -10.526 -3.949 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.144 -8.671 -3.844 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.545 -8.133 -3.558 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.855 -9.100 -2.097 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.385 -8.104 -2.209 1.00 0.00 H new ATOM 1320 N ALA A 83 2.364 -11.831 -3.006 1.00 0.00 N ATOM 1321 CA ALA A 83 3.145 -12.953 -3.603 1.00 0.00 C ATOM 1322 C ALA A 83 2.831 -14.243 -2.847 1.00 0.00 C ATOM 1323 O ALA A 83 2.886 -15.325 -3.396 1.00 0.00 O ATOM 1324 CB ALA A 83 4.641 -12.654 -3.496 1.00 0.00 C ATOM 0 H ALA A 83 2.917 -11.029 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 83 2.874 -13.065 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.208 -13.476 -3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.867 -11.732 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.915 -12.541 -2.447 1.00 0.00 H new ATOM 1481 N SER B 1 8.204 -5.099 14.654 1.00 0.00 N ATOM 1482 CA SER B 1 8.204 -3.610 14.732 1.00 0.00 C ATOM 1483 C SER B 1 6.763 -3.102 14.657 1.00 0.00 C ATOM 1484 O SER B 1 5.839 -3.861 14.442 1.00 0.00 O ATOM 1485 CB SER B 1 9.010 -3.032 13.568 1.00 0.00 C ATOM 1486 OG SER B 1 8.178 -2.954 12.416 1.00 0.00 O ATOM 0 H1 SER B 1 9.016 -5.474 15.184 1.00 0.00 H new ATOM 0 H2 SER B 1 7.323 -5.468 15.064 1.00 0.00 H new ATOM 0 H3 SER B 1 8.273 -5.395 13.659 1.00 0.00 H new ATOM 0 HA SER B 1 8.656 -3.295 15.672 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.387 -2.043 13.827 1.00 0.00 H new ATOM 0 HB3 SER B 1 9.877 -3.660 13.363 1.00 0.00 H new ATOM 0 HG SER B 1 8.690 -2.583 11.667 1.00 0.00 H new ATOM 1492 N GLU B 2 6.563 -1.825 14.833 1.00 0.00 N ATOM 1493 CA GLU B 2 5.179 -1.278 14.772 1.00 0.00 C ATOM 1494 C GLU B 2 4.606 -1.497 13.370 1.00 0.00 C ATOM 1495 O GLU B 2 3.422 -1.701 13.195 1.00 0.00 O ATOM 1496 CB GLU B 2 5.208 0.220 15.081 1.00 0.00 C ATOM 1497 CG GLU B 2 3.778 0.730 15.267 1.00 0.00 C ATOM 1498 CD GLU B 2 3.811 2.183 15.744 1.00 0.00 C ATOM 1499 OE1 GLU B 2 4.561 2.467 16.664 1.00 0.00 O ATOM 1500 OE2 GLU B 2 3.086 2.986 15.182 1.00 0.00 O ATOM 0 H GLU B 2 7.295 -1.139 15.016 1.00 0.00 H new ATOM 0 HA GLU B 2 4.554 -1.788 15.505 1.00 0.00 H new ATOM 0 HB2 GLU B 2 5.792 0.405 15.983 1.00 0.00 H new ATOM 0 HB3 GLU B 2 5.696 0.760 14.269 1.00 0.00 H new ATOM 0 HG2 GLU B 2 3.230 0.657 14.328 1.00 0.00 H new ATOM 0 HG3 GLU B 2 3.251 0.110 15.992 1.00 0.00 H new ATOM 1507 N LEU B 3 5.441 -1.442 12.368 1.00 0.00 N ATOM 1508 CA LEU B 3 4.951 -1.633 10.973 1.00 0.00 C ATOM 1509 C LEU B 3 4.339 -3.032 10.824 1.00 0.00 C ATOM 1510 O LEU B 3 3.238 -3.185 10.333 1.00 0.00 O ATOM 1511 CB LEU B 3 6.131 -1.461 9.996 1.00 0.00 C ATOM 1512 CG LEU B 3 5.635 -0.931 8.642 1.00 0.00 C ATOM 1513 CD1 LEU B 3 6.804 -0.878 7.653 1.00 0.00 C ATOM 1514 CD2 LEU B 3 4.539 -1.856 8.095 1.00 0.00 C ATOM 0 H LEU B 3 6.443 -1.273 12.456 1.00 0.00 H new ATOM 0 HA LEU B 3 4.184 -0.892 10.747 1.00 0.00 H new ATOM 0 HB2 LEU B 3 6.862 -0.771 10.417 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.637 -2.416 9.856 1.00 0.00 H new ATOM 0 HG LEU B 3 5.227 0.071 8.774 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.451 -0.502 6.693 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.578 -0.216 8.040 1.00 0.00 H new ATOM 0 HD13 LEU B 3 7.215 -1.879 7.522 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.189 -1.477 7.135 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.942 -2.860 7.964 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.706 -1.888 8.797 1.00 0.00 H new ATOM 1526 N GLU B 4 5.036 -4.055 11.242 1.00 0.00 N ATOM 1527 CA GLU B 4 4.472 -5.430 11.112 1.00 0.00 C ATOM 1528 C GLU B 4 3.083 -5.469 11.754 1.00 0.00 C ATOM 1529 O GLU B 4 2.131 -5.958 11.182 1.00 0.00 O ATOM 1530 CB GLU B 4 5.388 -6.436 11.818 1.00 0.00 C ATOM 1531 CG GLU B 4 6.679 -6.625 11.014 1.00 0.00 C ATOM 1532 CD GLU B 4 7.566 -5.388 11.169 1.00 0.00 C ATOM 1533 OE1 GLU B 4 8.268 -5.308 12.163 1.00 0.00 O ATOM 1534 OE2 GLU B 4 7.531 -4.544 10.289 1.00 0.00 O ATOM 0 H GLU B 4 5.963 -4.000 11.664 1.00 0.00 H new ATOM 0 HA GLU B 4 4.398 -5.692 10.057 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.624 -6.083 12.822 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.875 -7.392 11.928 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.210 -7.511 11.362 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.444 -6.787 9.962 1.00 0.00 H new ATOM 1541 N LYS B 5 2.970 -4.943 12.942 1.00 0.00 N ATOM 1542 CA LYS B 5 1.657 -4.928 13.646 1.00 0.00 C ATOM 1543 C LYS B 5 0.580 -4.358 12.721 1.00 0.00 C ATOM 1544 O LYS B 5 -0.532 -4.844 12.657 1.00 0.00 O ATOM 1545 CB LYS B 5 1.772 -4.027 14.880 1.00 0.00 C ATOM 1546 CG LYS B 5 2.886 -4.544 15.805 1.00 0.00 C ATOM 1547 CD LYS B 5 2.404 -5.774 16.590 1.00 0.00 C ATOM 1548 CE LYS B 5 3.394 -6.083 17.714 1.00 0.00 C ATOM 1549 NZ LYS B 5 2.987 -7.344 18.397 1.00 0.00 N ATOM 0 H LYS B 5 3.739 -4.519 13.460 1.00 0.00 H new ATOM 0 HA LYS B 5 1.387 -5.943 13.936 1.00 0.00 H new ATOM 0 HB2 LYS B 5 1.987 -3.003 14.574 1.00 0.00 H new ATOM 0 HB3 LYS B 5 0.823 -4.007 15.416 1.00 0.00 H new ATOM 0 HG2 LYS B 5 3.766 -4.803 15.216 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.186 -3.758 16.498 1.00 0.00 H new ATOM 0 HD2 LYS B 5 1.413 -5.588 17.005 1.00 0.00 H new ATOM 0 HD3 LYS B 5 2.315 -6.632 15.924 1.00 0.00 H new ATOM 0 HE2 LYS B 5 4.401 -6.184 17.309 1.00 0.00 H new ATOM 0 HE3 LYS B 5 3.419 -5.260 18.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 3.659 -7.557 19.162 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 2.033 -7.231 18.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 2.985 -8.125 17.711 1.00 0.00 H new ATOM 1563 N ALA B 6 0.915 -3.317 12.010 1.00 0.00 N ATOM 1564 CA ALA B 6 -0.057 -2.674 11.082 1.00 0.00 C ATOM 1565 C ALA B 6 -0.199 -3.500 9.798 1.00 0.00 C ATOM 1566 O ALA B 6 -1.245 -3.507 9.178 1.00 0.00 O ATOM 1567 CB ALA B 6 0.441 -1.261 10.746 1.00 0.00 C ATOM 0 H ALA B 6 1.835 -2.878 12.033 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.035 -2.619 11.561 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -0.262 -0.779 10.067 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.520 -0.676 11.662 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.420 -1.324 10.270 1.00 0.00 H new ATOM 1573 N MET B 7 0.819 -4.202 9.393 1.00 0.00 N ATOM 1574 CA MET B 7 0.687 -5.021 8.155 1.00 0.00 C ATOM 1575 C MET B 7 -0.398 -6.078 8.386 1.00 0.00 C ATOM 1576 O MET B 7 -1.252 -6.302 7.551 1.00 0.00 O ATOM 1577 CB MET B 7 2.027 -5.700 7.838 1.00 0.00 C ATOM 1578 CG MET B 7 2.070 -6.090 6.357 1.00 0.00 C ATOM 1579 SD MET B 7 2.203 -4.594 5.346 1.00 0.00 S ATOM 1580 CE MET B 7 1.448 -5.262 3.844 1.00 0.00 C ATOM 0 H MET B 7 1.726 -4.246 9.857 1.00 0.00 H new ATOM 0 HA MET B 7 0.412 -4.387 7.312 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.851 -5.026 8.071 1.00 0.00 H new ATOM 0 HB3 MET B 7 2.154 -6.585 8.461 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.918 -6.747 6.167 1.00 0.00 H new ATOM 0 HG3 MET B 7 1.171 -6.645 6.089 1.00 0.00 H new ATOM 0 HE1 MET B 7 1.428 -4.491 3.073 1.00 0.00 H new ATOM 0 HE2 MET B 7 2.031 -6.113 3.491 1.00 0.00 H new ATOM 0 HE3 MET B 7 0.430 -5.585 4.061 1.00 0.00 H new ATOM 1590 N VAL B 8 -0.369 -6.723 9.521 1.00 0.00 N ATOM 1591 CA VAL B 8 -1.393 -7.763 9.829 1.00 0.00 C ATOM 1592 C VAL B 8 -2.754 -7.097 10.055 1.00 0.00 C ATOM 1593 O VAL B 8 -3.785 -7.630 9.694 1.00 0.00 O ATOM 1594 CB VAL B 8 -0.978 -8.512 11.097 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -1.856 -9.751 11.270 1.00 0.00 C ATOM 1596 CG2 VAL B 8 0.487 -8.940 10.976 1.00 0.00 C ATOM 0 H VAL B 8 0.325 -6.573 10.253 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.468 -8.460 8.994 1.00 0.00 H new ATOM 0 HB VAL B 8 -1.099 -7.859 11.961 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.559 -10.284 12.174 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.900 -9.448 11.353 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -1.736 -10.406 10.407 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.786 -9.474 11.878 1.00 0.00 H new ATOM 0 HG22 VAL B 8 0.605 -9.593 10.112 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.115 -8.058 10.852 1.00 0.00 H new ATOM 1606 N ALA B 9 -2.764 -5.934 10.648 1.00 0.00 N ATOM 1607 CA ALA B 9 -4.052 -5.224 10.899 1.00 0.00 C ATOM 1608 C ALA B 9 -4.761 -4.954 9.570 1.00 0.00 C ATOM 1609 O ALA B 9 -5.935 -5.224 9.407 1.00 0.00 O ATOM 1610 CB ALA B 9 -3.746 -3.885 11.573 1.00 0.00 C ATOM 0 H ALA B 9 -1.931 -5.442 10.971 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.691 -5.837 11.534 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.678 -3.352 11.764 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.230 -4.062 12.516 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.112 -3.285 10.920 1.00 0.00 H new ATOM 1616 N LEU B 10 -4.050 -4.401 8.630 1.00 0.00 N ATOM 1617 CA LEU B 10 -4.652 -4.076 7.308 1.00 0.00 C ATOM 1618 C LEU B 10 -5.353 -5.302 6.731 1.00 0.00 C ATOM 1619 O LEU B 10 -6.520 -5.275 6.395 1.00 0.00 O ATOM 1620 CB LEU B 10 -3.510 -3.672 6.353 1.00 0.00 C ATOM 1621 CG LEU B 10 -3.147 -2.183 6.555 1.00 0.00 C ATOM 1622 CD1 LEU B 10 -1.702 -1.939 6.116 1.00 0.00 C ATOM 1623 CD2 LEU B 10 -4.074 -1.291 5.715 1.00 0.00 C ATOM 0 H LEU B 10 -3.064 -4.157 8.722 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.378 -3.271 7.424 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.635 -4.295 6.537 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.812 -3.843 5.320 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.263 -1.939 7.611 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.450 -0.888 6.260 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -1.031 -2.558 6.712 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.593 -2.197 5.063 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.808 -0.245 5.866 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.965 -1.544 4.660 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.108 -1.450 6.021 1.00 0.00 H new ATOM 1635 N ILE B 11 -4.624 -6.370 6.598 1.00 0.00 N ATOM 1636 CA ILE B 11 -5.204 -7.608 6.021 1.00 0.00 C ATOM 1637 C ILE B 11 -6.442 -8.025 6.809 1.00 0.00 C ATOM 1638 O ILE B 11 -7.399 -8.522 6.251 1.00 0.00 O ATOM 1639 CB ILE B 11 -4.164 -8.729 6.084 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -2.906 -8.296 5.327 1.00 0.00 C ATOM 1641 CG2 ILE B 11 -4.736 -9.994 5.440 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -1.782 -9.301 5.586 1.00 0.00 C ATOM 0 H ILE B 11 -3.642 -6.438 6.867 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.487 -7.420 4.985 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.912 -8.934 7.124 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.115 -8.235 4.259 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.600 -7.301 5.649 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -3.995 -10.792 5.485 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.634 -10.301 5.977 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.987 -9.791 4.399 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.886 -8.992 5.047 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.567 -9.340 6.654 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.090 -10.288 5.242 1.00 0.00 H new ATOM 1654 N ASP B 12 -6.430 -7.865 8.105 1.00 0.00 N ATOM 1655 CA ASP B 12 -7.612 -8.300 8.899 1.00 0.00 C ATOM 1656 C ASP B 12 -8.806 -7.369 8.647 1.00 0.00 C ATOM 1657 O ASP B 12 -9.934 -7.816 8.582 1.00 0.00 O ATOM 1658 CB ASP B 12 -7.263 -8.326 10.388 1.00 0.00 C ATOM 1659 CG ASP B 12 -8.449 -8.872 11.184 1.00 0.00 C ATOM 1660 OD1 ASP B 12 -9.476 -9.128 10.577 1.00 0.00 O ATOM 1661 OD2 ASP B 12 -8.310 -9.025 12.386 1.00 0.00 O ATOM 0 H ASP B 12 -5.664 -7.458 8.641 1.00 0.00 H new ATOM 0 HA ASP B 12 -7.890 -9.306 8.584 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -6.383 -8.948 10.555 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.013 -7.322 10.731 1.00 0.00 H new ATOM 1666 N VAL B 13 -8.591 -6.082 8.502 1.00 0.00 N ATOM 1667 CA VAL B 13 -9.758 -5.183 8.257 1.00 0.00 C ATOM 1668 C VAL B 13 -10.314 -5.459 6.861 1.00 0.00 C ATOM 1669 O VAL B 13 -11.512 -5.554 6.676 1.00 0.00 O ATOM 1670 CB VAL B 13 -9.355 -3.712 8.393 1.00 0.00 C ATOM 1671 CG1 VAL B 13 -10.564 -2.821 8.099 1.00 0.00 C ATOM 1672 CG2 VAL B 13 -8.860 -3.447 9.817 1.00 0.00 C ATOM 0 H VAL B 13 -7.680 -5.626 8.542 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.527 -5.384 9.003 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.558 -3.488 7.684 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.277 -1.774 8.196 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.916 -3.008 7.084 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.362 -3.045 8.807 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.573 -2.400 9.914 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.656 -3.672 10.527 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.998 -4.080 10.026 1.00 0.00 H new ATOM 1682 N PHE B 14 -9.475 -5.622 5.878 1.00 0.00 N ATOM 1683 CA PHE B 14 -10.005 -5.929 4.520 1.00 0.00 C ATOM 1684 C PHE B 14 -10.910 -7.156 4.632 1.00 0.00 C ATOM 1685 O PHE B 14 -11.877 -7.303 3.910 1.00 0.00 O ATOM 1686 CB PHE B 14 -8.851 -6.234 3.563 1.00 0.00 C ATOM 1687 CG PHE B 14 -9.411 -6.604 2.208 1.00 0.00 C ATOM 1688 CD1 PHE B 14 -9.850 -7.913 1.964 1.00 0.00 C ATOM 1689 CD2 PHE B 14 -9.494 -5.639 1.196 1.00 0.00 C ATOM 1690 CE1 PHE B 14 -10.369 -8.255 0.708 1.00 0.00 C ATOM 1691 CE2 PHE B 14 -10.012 -5.982 -0.058 1.00 0.00 C ATOM 1692 CZ PHE B 14 -10.450 -7.289 -0.302 1.00 0.00 C ATOM 0 H PHE B 14 -8.460 -5.557 5.952 1.00 0.00 H new ATOM 0 HA PHE B 14 -10.561 -5.075 4.134 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -8.197 -5.366 3.475 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -8.245 -7.051 3.954 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -9.788 -8.658 2.744 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -9.158 -4.630 1.384 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -10.706 -9.263 0.519 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -10.074 -5.238 -0.838 1.00 0.00 H new ATOM 0 HZ PHE B 14 -10.851 -7.552 -1.270 1.00 0.00 H new ATOM 1702 N HIS B 15 -10.595 -8.038 5.542 1.00 0.00 N ATOM 1703 CA HIS B 15 -11.418 -9.265 5.722 1.00 0.00 C ATOM 1704 C HIS B 15 -12.687 -8.935 6.516 1.00 0.00 C ATOM 1705 O HIS B 15 -13.719 -9.553 6.342 1.00 0.00 O ATOM 1706 CB HIS B 15 -10.603 -10.312 6.482 1.00 0.00 C ATOM 1707 CG HIS B 15 -11.447 -11.534 6.714 1.00 0.00 C ATOM 1708 ND1 HIS B 15 -11.858 -12.357 5.676 1.00 0.00 N ATOM 1709 CD2 HIS B 15 -11.969 -12.086 7.858 1.00 0.00 C ATOM 1710 CE1 HIS B 15 -12.592 -13.349 6.211 1.00 0.00 C ATOM 1711 NE2 HIS B 15 -12.692 -13.232 7.539 1.00 0.00 N ATOM 0 H HIS B 15 -9.797 -7.959 6.172 1.00 0.00 H new ATOM 0 HA HIS B 15 -11.700 -9.653 4.744 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -9.711 -10.576 5.914 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.265 -9.904 7.435 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -11.838 -11.691 8.855 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -13.046 -14.144 5.637 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -13.190 -13.849 8.180 1.00 0.00 H new ATOM 1719 N GLN B 16 -12.609 -7.977 7.404 1.00 0.00 N ATOM 1720 CA GLN B 16 -13.800 -7.620 8.229 1.00 0.00 C ATOM 1721 C GLN B 16 -14.991 -7.312 7.322 1.00 0.00 C ATOM 1722 O GLN B 16 -16.093 -7.766 7.560 1.00 0.00 O ATOM 1723 CB GLN B 16 -13.478 -6.397 9.092 1.00 0.00 C ATOM 1724 CG GLN B 16 -14.615 -6.155 10.086 1.00 0.00 C ATOM 1725 CD GLN B 16 -14.186 -5.093 11.101 1.00 0.00 C ATOM 1726 OE1 GLN B 16 -13.810 -4.000 10.730 1.00 0.00 O ATOM 1727 NE2 GLN B 16 -14.225 -5.372 12.375 1.00 0.00 N ATOM 0 H GLN B 16 -11.771 -7.427 7.593 1.00 0.00 H new ATOM 0 HA GLN B 16 -14.054 -8.462 8.873 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.541 -6.554 9.627 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.341 -5.519 8.460 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -15.511 -5.828 9.558 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -14.868 -7.083 10.599 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -14.541 -6.290 12.687 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -13.940 -4.672 13.059 1.00 0.00 H new ATOM 1736 N TYR B 17 -14.790 -6.548 6.283 1.00 0.00 N ATOM 1737 CA TYR B 17 -15.924 -6.224 5.374 1.00 0.00 C ATOM 1738 C TYR B 17 -16.280 -7.463 4.555 1.00 0.00 C ATOM 1739 O TYR B 17 -17.436 -7.796 4.383 1.00 0.00 O ATOM 1740 CB TYR B 17 -15.516 -5.088 4.428 1.00 0.00 C ATOM 1741 CG TYR B 17 -15.545 -3.771 5.173 1.00 0.00 C ATOM 1742 CD1 TYR B 17 -14.642 -3.541 6.218 1.00 0.00 C ATOM 1743 CD2 TYR B 17 -16.472 -2.781 4.820 1.00 0.00 C ATOM 1744 CE1 TYR B 17 -14.666 -2.325 6.910 1.00 0.00 C ATOM 1745 CE2 TYR B 17 -16.495 -1.564 5.512 1.00 0.00 C ATOM 1746 CZ TYR B 17 -15.592 -1.336 6.557 1.00 0.00 C ATOM 1747 OH TYR B 17 -15.614 -0.136 7.238 1.00 0.00 O ATOM 0 H TYR B 17 -13.893 -6.136 6.026 1.00 0.00 H new ATOM 0 HA TYR B 17 -16.786 -5.911 5.963 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -14.517 -5.272 4.033 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -16.194 -5.050 3.575 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -13.926 -4.303 6.490 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -17.169 -2.957 4.014 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.970 -2.149 7.717 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -17.209 -0.801 5.240 1.00 0.00 H new ATOM 0 HH TYR B 17 -16.135 0.520 6.729 1.00 0.00 H new ATOM 1757 N SER B 18 -15.292 -8.147 4.042 1.00 0.00 N ATOM 1758 CA SER B 18 -15.562 -9.366 3.224 1.00 0.00 C ATOM 1759 C SER B 18 -15.418 -10.619 4.091 1.00 0.00 C ATOM 1760 O SER B 18 -14.614 -11.484 3.807 1.00 0.00 O ATOM 1761 CB SER B 18 -14.558 -9.431 2.071 1.00 0.00 C ATOM 1762 OG SER B 18 -13.267 -9.725 2.588 1.00 0.00 O ATOM 0 H SER B 18 -14.306 -7.913 4.155 1.00 0.00 H new ATOM 0 HA SER B 18 -16.577 -9.317 2.830 1.00 0.00 H new ATOM 0 HB2 SER B 18 -14.858 -10.196 1.355 1.00 0.00 H new ATOM 0 HB3 SER B 18 -14.540 -8.482 1.535 1.00 0.00 H new ATOM 0 HG SER B 18 -13.267 -10.625 2.976 1.00 0.00 H new ATOM 1768 N GLY B 19 -16.210 -10.740 5.134 1.00 0.00 N ATOM 1769 CA GLY B 19 -16.152 -11.953 6.015 1.00 0.00 C ATOM 1770 C GLY B 19 -17.528 -12.621 5.976 1.00 0.00 C ATOM 1771 O GLY B 19 -17.709 -13.731 6.436 1.00 0.00 O ATOM 0 H GLY B 19 -16.900 -10.043 5.414 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -15.382 -12.642 5.667 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -15.892 -11.673 7.036 1.00 0.00 H new ATOM 1775 N ARG B 20 -18.488 -11.957 5.395 1.00 0.00 N ATOM 1776 CA ARG B 20 -19.854 -12.541 5.272 1.00 0.00 C ATOM 1777 C ARG B 20 -19.799 -13.738 4.324 1.00 0.00 C ATOM 1778 O ARG B 20 -20.528 -14.694 4.500 1.00 0.00 O ATOM 1779 CB ARG B 20 -20.821 -11.484 4.719 1.00 0.00 C ATOM 1780 CG ARG B 20 -22.280 -11.932 4.934 1.00 0.00 C ATOM 1781 CD ARG B 20 -22.760 -11.530 6.334 1.00 0.00 C ATOM 1782 NE ARG B 20 -24.210 -11.846 6.468 1.00 0.00 N ATOM 1783 CZ ARG B 20 -24.642 -13.049 6.209 1.00 0.00 C ATOM 1784 NH1 ARG B 20 -24.721 -13.463 4.973 1.00 0.00 N ATOM 1785 NH2 ARG B 20 -24.995 -13.839 7.185 1.00 0.00 N ATOM 0 H ARG B 20 -18.384 -11.024 4.996 1.00 0.00 H new ATOM 0 HA ARG B 20 -20.206 -12.865 6.252 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -20.649 -10.529 5.215 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -20.633 -11.329 3.656 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -22.922 -11.479 4.178 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -22.357 -13.012 4.812 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -22.188 -12.063 7.094 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -22.592 -10.465 6.497 1.00 0.00 H new ATOM 0 HE ARG B 20 -24.865 -11.121 6.762 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -24.445 -12.845 4.210 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -25.059 -14.404 4.771 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -24.933 -13.516 8.150 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -25.333 -14.780 6.983 1.00 0.00 H new ATOM 1799 N GLU B 21 -18.936 -13.729 3.343 1.00 0.00 N ATOM 1800 CA GLU B 21 -18.855 -14.914 2.435 1.00 0.00 C ATOM 1801 C GLU B 21 -17.425 -15.081 1.927 1.00 0.00 C ATOM 1802 O GLU B 21 -16.890 -16.171 1.914 1.00 0.00 O ATOM 1803 CB GLU B 21 -19.803 -14.722 1.249 1.00 0.00 C ATOM 1804 CG GLU B 21 -21.246 -14.656 1.751 1.00 0.00 C ATOM 1805 CD GLU B 21 -22.204 -14.755 0.561 1.00 0.00 C ATOM 1806 OE1 GLU B 21 -22.381 -15.852 0.059 1.00 0.00 O ATOM 1807 OE2 GLU B 21 -22.741 -13.731 0.171 1.00 0.00 O ATOM 0 H GLU B 21 -18.292 -12.966 3.132 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.146 -15.807 2.988 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.551 -13.806 0.714 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.690 -15.545 0.543 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -21.436 -15.468 2.453 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -21.413 -13.723 2.290 1.00 0.00 H new ATOM 1814 N GLY B 22 -16.796 -14.016 1.507 1.00 0.00 N ATOM 1815 CA GLY B 22 -15.397 -14.132 0.999 1.00 0.00 C ATOM 1816 C GLY B 22 -15.308 -15.306 0.023 1.00 0.00 C ATOM 1817 O GLY B 22 -14.233 -15.762 -0.312 1.00 0.00 O ATOM 0 H GLY B 22 -17.188 -13.074 1.493 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -15.101 -13.208 0.502 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -14.708 -14.282 1.830 1.00 0.00 H new ATOM 1821 N ASP B 23 -16.428 -15.798 -0.442 1.00 0.00 N ATOM 1822 CA ASP B 23 -16.394 -16.939 -1.403 1.00 0.00 C ATOM 1823 C ASP B 23 -15.377 -16.615 -2.498 1.00 0.00 C ATOM 1824 O ASP B 23 -14.419 -17.333 -2.702 1.00 0.00 O ATOM 1825 CB ASP B 23 -17.779 -17.129 -2.028 1.00 0.00 C ATOM 1826 CG ASP B 23 -18.773 -17.570 -0.951 1.00 0.00 C ATOM 1827 OD1 ASP B 23 -18.327 -17.971 0.111 1.00 0.00 O ATOM 1828 OD2 ASP B 23 -19.964 -17.498 -1.208 1.00 0.00 O ATOM 0 H ASP B 23 -17.359 -15.461 -0.199 1.00 0.00 H new ATOM 0 HA ASP B 23 -16.112 -17.856 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -18.113 -16.198 -2.486 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -17.732 -17.875 -2.821 1.00 0.00 H new ATOM 1833 N LYS B 24 -15.560 -15.516 -3.179 1.00 0.00 N ATOM 1834 CA LYS B 24 -14.587 -15.115 -4.235 1.00 0.00 C ATOM 1835 C LYS B 24 -13.530 -14.210 -3.597 1.00 0.00 C ATOM 1836 O LYS B 24 -13.767 -13.583 -2.584 1.00 0.00 O ATOM 1837 CB LYS B 24 -15.315 -14.357 -5.346 1.00 0.00 C ATOM 1838 CG LYS B 24 -16.324 -15.291 -6.017 1.00 0.00 C ATOM 1839 CD LYS B 24 -17.166 -14.501 -7.022 1.00 0.00 C ATOM 1840 CE LYS B 24 -18.367 -15.346 -7.450 1.00 0.00 C ATOM 1841 NZ LYS B 24 -17.947 -16.768 -7.592 1.00 0.00 N ATOM 0 H LYS B 24 -16.344 -14.877 -3.049 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.114 -15.998 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -15.826 -13.487 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -14.599 -13.988 -6.080 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -15.802 -16.103 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -16.969 -15.746 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -17.505 -13.567 -6.575 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -16.563 -14.238 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -19.165 -15.263 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -18.767 -14.977 -8.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -18.631 -17.274 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -17.006 -16.810 -8.032 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -17.910 -17.214 -6.653 1.00 0.00 H new ATOM 1855 N HIS B 25 -12.375 -14.116 -4.200 1.00 0.00 N ATOM 1856 CA HIS B 25 -11.296 -13.230 -3.667 1.00 0.00 C ATOM 1857 C HIS B 25 -11.221 -12.008 -4.577 1.00 0.00 C ATOM 1858 O HIS B 25 -10.158 -11.577 -4.977 1.00 0.00 O ATOM 1859 CB HIS B 25 -9.963 -13.980 -3.701 1.00 0.00 C ATOM 1860 CG HIS B 25 -9.804 -14.661 -5.033 1.00 0.00 C ATOM 1861 ND1 HIS B 25 -10.624 -15.705 -5.431 1.00 0.00 N ATOM 1862 CD2 HIS B 25 -8.926 -14.457 -6.069 1.00 0.00 C ATOM 1863 CE1 HIS B 25 -10.226 -16.087 -6.659 1.00 0.00 C ATOM 1864 NE2 HIS B 25 -9.195 -15.359 -7.094 1.00 0.00 N ATOM 0 H HIS B 25 -12.129 -14.622 -5.051 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.505 -12.933 -2.639 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.139 -13.286 -3.535 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -9.927 -14.716 -2.898 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.146 -13.710 -6.086 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.685 -16.885 -7.224 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.709 -15.445 -7.986 1.00 0.00 H new ATOM 1872 N LYS B 26 -12.358 -11.452 -4.902 1.00 0.00 N ATOM 1873 CA LYS B 26 -12.404 -10.249 -5.788 1.00 0.00 C ATOM 1874 C LYS B 26 -13.313 -9.183 -5.169 1.00 0.00 C ATOM 1875 O LYS B 26 -14.254 -9.496 -4.466 1.00 0.00 O ATOM 1876 CB LYS B 26 -12.959 -10.653 -7.155 1.00 0.00 C ATOM 1877 CG LYS B 26 -12.063 -11.728 -7.769 1.00 0.00 C ATOM 1878 CD LYS B 26 -12.735 -12.306 -9.015 1.00 0.00 C ATOM 1879 CE LYS B 26 -11.808 -13.338 -9.660 1.00 0.00 C ATOM 1880 NZ LYS B 26 -11.458 -14.384 -8.658 1.00 0.00 N ATOM 0 H LYS B 26 -13.270 -11.784 -4.587 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.398 -9.844 -5.900 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -13.977 -11.029 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.006 -9.784 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.094 -11.302 -8.030 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.878 -12.520 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -13.684 -12.770 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.959 -11.509 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.296 -13.793 -10.522 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.903 -12.852 -10.026 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -11.506 -15.322 -9.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -10.494 -14.218 -8.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.129 -14.343 -7.864 1.00 0.00 H new ATOM 1894 N LEU B 27 -13.042 -7.927 -5.430 1.00 0.00 N ATOM 1895 CA LEU B 27 -13.887 -6.822 -4.868 1.00 0.00 C ATOM 1896 C LEU B 27 -14.386 -5.962 -6.029 1.00 0.00 C ATOM 1897 O LEU B 27 -13.668 -5.714 -6.977 1.00 0.00 O ATOM 1898 CB LEU B 27 -13.036 -5.972 -3.918 1.00 0.00 C ATOM 1899 CG LEU B 27 -13.928 -5.033 -3.090 1.00 0.00 C ATOM 1900 CD1 LEU B 27 -14.817 -5.838 -2.119 1.00 0.00 C ATOM 1901 CD2 LEU B 27 -13.030 -4.076 -2.296 1.00 0.00 C ATOM 0 H LEU B 27 -12.265 -7.616 -6.013 1.00 0.00 H new ATOM 0 HA LEU B 27 -14.735 -7.230 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -12.465 -6.620 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -12.315 -5.388 -4.490 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.578 -4.472 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -15.440 -5.153 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -15.453 -6.517 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -14.187 -6.413 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.650 -3.403 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.382 -4.650 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -12.419 -3.494 -2.986 1.00 0.00 H new ATOM 1913 N LYS B 28 -15.613 -5.509 -5.977 1.00 0.00 N ATOM 1914 CA LYS B 28 -16.144 -4.676 -7.097 1.00 0.00 C ATOM 1915 C LYS B 28 -15.825 -3.203 -6.839 1.00 0.00 C ATOM 1916 O LYS B 28 -15.679 -2.780 -5.710 1.00 0.00 O ATOM 1917 CB LYS B 28 -17.659 -4.864 -7.199 1.00 0.00 C ATOM 1918 CG LYS B 28 -17.962 -6.288 -7.665 1.00 0.00 C ATOM 1919 CD LYS B 28 -19.476 -6.495 -7.724 1.00 0.00 C ATOM 1920 CE LYS B 28 -19.778 -7.942 -8.115 1.00 0.00 C ATOM 1921 NZ LYS B 28 -21.250 -8.121 -8.260 1.00 0.00 N ATOM 0 H LYS B 28 -16.266 -5.679 -5.212 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.677 -4.986 -8.032 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -18.126 -4.679 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -18.080 -4.143 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -17.522 -6.462 -8.647 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -17.512 -7.009 -6.982 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -19.923 -6.268 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -19.919 -5.811 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -19.277 -8.189 -9.051 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -19.391 -8.623 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -21.455 -9.105 -8.526 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -21.717 -7.902 -7.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -21.606 -7.481 -8.998 1.00 0.00 H new ATOM 1935 N LYS B 29 -15.715 -2.415 -7.874 1.00 0.00 N ATOM 1936 CA LYS B 29 -15.405 -0.970 -7.689 1.00 0.00 C ATOM 1937 C LYS B 29 -16.495 -0.293 -6.845 1.00 0.00 C ATOM 1938 O LYS B 29 -16.215 0.530 -5.996 1.00 0.00 O ATOM 1939 CB LYS B 29 -15.336 -0.293 -9.069 1.00 0.00 C ATOM 1940 CG LYS B 29 -16.445 -0.841 -9.994 1.00 0.00 C ATOM 1941 CD LYS B 29 -16.841 0.226 -11.023 1.00 0.00 C ATOM 1942 CE LYS B 29 -17.662 -0.420 -12.140 1.00 0.00 C ATOM 1943 NZ LYS B 29 -18.161 0.637 -13.065 1.00 0.00 N ATOM 0 H LYS B 29 -15.827 -2.712 -8.843 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.450 -0.872 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.447 0.786 -8.958 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.359 -0.469 -9.519 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.095 -1.738 -10.504 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.314 -1.129 -9.403 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.420 1.014 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.949 0.695 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -17.050 -1.138 -12.687 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -18.500 -0.973 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -18.431 0.205 -13.972 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -18.989 1.104 -12.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.411 1.340 -13.226 1.00 0.00 H new ATOM 1957 N SER B 30 -17.732 -0.616 -7.092 1.00 0.00 N ATOM 1958 CA SER B 30 -18.847 0.021 -6.335 1.00 0.00 C ATOM 1959 C SER B 30 -18.669 -0.179 -4.826 1.00 0.00 C ATOM 1960 O SER B 30 -18.964 0.700 -4.032 1.00 0.00 O ATOM 1961 CB SER B 30 -20.170 -0.613 -6.767 1.00 0.00 C ATOM 1962 OG SER B 30 -20.343 -0.429 -8.166 1.00 0.00 O ATOM 0 H SER B 30 -18.022 -1.299 -7.791 1.00 0.00 H new ATOM 0 HA SER B 30 -18.846 1.090 -6.549 1.00 0.00 H new ATOM 0 HB2 SER B 30 -20.174 -1.676 -6.525 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.999 -0.159 -6.223 1.00 0.00 H new ATOM 0 HG SER B 30 -21.189 -0.836 -8.447 1.00 0.00 H new ATOM 1968 N GLU B 31 -18.187 -1.324 -4.415 1.00 0.00 N ATOM 1969 CA GLU B 31 -18.010 -1.555 -2.950 1.00 0.00 C ATOM 1970 C GLU B 31 -16.694 -0.922 -2.502 1.00 0.00 C ATOM 1971 O GLU B 31 -16.590 -0.383 -1.418 1.00 0.00 O ATOM 1972 CB GLU B 31 -18.017 -3.053 -2.642 1.00 0.00 C ATOM 1973 CG GLU B 31 -19.218 -3.711 -3.324 1.00 0.00 C ATOM 1974 CD GLU B 31 -19.186 -5.219 -3.073 1.00 0.00 C ATOM 1975 OE1 GLU B 31 -19.559 -5.626 -1.984 1.00 0.00 O ATOM 1976 OE2 GLU B 31 -18.790 -5.942 -3.972 1.00 0.00 O ATOM 0 H GLU B 31 -17.912 -2.098 -5.020 1.00 0.00 H new ATOM 0 HA GLU B 31 -18.836 -1.096 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -17.092 -3.511 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -18.065 -3.213 -1.565 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -20.145 -3.287 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -19.197 -3.510 -4.395 1.00 0.00 H new ATOM 1983 N LEU B 32 -15.692 -0.960 -3.341 1.00 0.00 N ATOM 1984 CA LEU B 32 -14.395 -0.332 -2.969 1.00 0.00 C ATOM 1985 C LEU B 32 -14.659 1.144 -2.680 1.00 0.00 C ATOM 1986 O LEU B 32 -14.179 1.684 -1.703 1.00 0.00 O ATOM 1987 CB LEU B 32 -13.393 -0.492 -4.121 1.00 0.00 C ATOM 1988 CG LEU B 32 -12.147 0.373 -3.886 1.00 0.00 C ATOM 1989 CD1 LEU B 32 -11.546 0.071 -2.511 1.00 0.00 C ATOM 1990 CD2 LEU B 32 -11.111 0.059 -4.970 1.00 0.00 C ATOM 0 H LEU B 32 -15.717 -1.397 -4.262 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.969 -0.811 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.102 -1.538 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -13.865 -0.209 -5.062 1.00 0.00 H new ATOM 0 HG LEU B 32 -12.427 1.426 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.663 0.691 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -12.282 0.288 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -11.265 -0.981 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.222 0.669 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -10.841 -0.996 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -11.532 0.280 -5.951 1.00 0.00 H new ATOM 2002 N LYS B 33 -15.407 1.818 -3.513 1.00 0.00 N ATOM 2003 CA LYS B 33 -15.662 3.258 -3.251 1.00 0.00 C ATOM 2004 C LYS B 33 -16.191 3.409 -1.829 1.00 0.00 C ATOM 2005 O LYS B 33 -15.629 4.114 -1.014 1.00 0.00 O ATOM 2006 CB LYS B 33 -16.702 3.787 -4.245 1.00 0.00 C ATOM 2007 CG LYS B 33 -16.782 5.314 -4.145 1.00 0.00 C ATOM 2008 CD LYS B 33 -18.080 5.808 -4.795 1.00 0.00 C ATOM 2009 CE LYS B 33 -18.158 5.318 -6.245 1.00 0.00 C ATOM 2010 NZ LYS B 33 -18.640 3.907 -6.268 1.00 0.00 N ATOM 0 H LYS B 33 -15.846 1.437 -4.352 1.00 0.00 H new ATOM 0 HA LYS B 33 -14.739 3.826 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.432 3.493 -5.259 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.677 3.348 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -16.747 5.622 -3.100 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -15.922 5.766 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -18.940 5.444 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -18.119 6.897 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -18.833 5.953 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -17.178 5.386 -6.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -19.377 3.804 -6.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -17.846 3.272 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -19.034 3.659 -5.338 1.00 0.00 H new ATOM 2024 N GLU B 34 -17.275 2.749 -1.527 1.00 0.00 N ATOM 2025 CA GLU B 34 -17.845 2.855 -0.152 1.00 0.00 C ATOM 2026 C GLU B 34 -16.734 2.613 0.878 1.00 0.00 C ATOM 2027 O GLU B 34 -16.695 3.244 1.915 1.00 0.00 O ATOM 2028 CB GLU B 34 -18.945 1.808 0.020 1.00 0.00 C ATOM 2029 CG GLU B 34 -20.060 2.073 -0.992 1.00 0.00 C ATOM 2030 CD GLU B 34 -21.244 1.149 -0.706 1.00 0.00 C ATOM 2031 OE1 GLU B 34 -21.496 0.886 0.459 1.00 0.00 O ATOM 2032 OE2 GLU B 34 -21.879 0.720 -1.655 1.00 0.00 O ATOM 0 H GLU B 34 -17.789 2.144 -2.168 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.265 3.849 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -18.537 0.808 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -19.343 1.845 1.034 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.377 3.114 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.693 1.907 -2.005 1.00 0.00 H new ATOM 2039 N LEU B 35 -15.828 1.714 0.602 1.00 0.00 N ATOM 2040 CA LEU B 35 -14.722 1.446 1.571 1.00 0.00 C ATOM 2041 C LEU B 35 -13.808 2.675 1.655 1.00 0.00 C ATOM 2042 O LEU B 35 -13.349 3.038 2.720 1.00 0.00 O ATOM 2043 CB LEU B 35 -13.924 0.219 1.116 1.00 0.00 C ATOM 2044 CG LEU B 35 -12.830 -0.121 2.140 1.00 0.00 C ATOM 2045 CD1 LEU B 35 -13.461 -0.505 3.492 1.00 0.00 C ATOM 2046 CD2 LEU B 35 -12.000 -1.293 1.604 1.00 0.00 C ATOM 0 H LEU B 35 -15.804 1.154 -0.250 1.00 0.00 H new ATOM 0 HA LEU B 35 -15.139 1.246 2.558 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -14.593 -0.633 0.994 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.472 0.412 0.143 1.00 0.00 H new ATOM 0 HG LEU B 35 -12.193 0.750 2.292 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -12.673 -0.743 4.207 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -14.052 0.330 3.868 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -14.105 -1.374 3.359 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -11.219 -1.544 2.322 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -12.646 -2.158 1.453 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -11.543 -1.011 0.655 1.00 0.00 H new ATOM 2058 N ILE B 36 -13.558 3.340 0.559 1.00 0.00 N ATOM 2059 CA ILE B 36 -12.699 4.560 0.602 1.00 0.00 C ATOM 2060 C ILE B 36 -13.338 5.596 1.531 1.00 0.00 C ATOM 2061 O ILE B 36 -12.663 6.366 2.186 1.00 0.00 O ATOM 2062 CB ILE B 36 -12.609 5.154 -0.810 1.00 0.00 C ATOM 2063 CG1 ILE B 36 -11.856 4.172 -1.719 1.00 0.00 C ATOM 2064 CG2 ILE B 36 -11.857 6.492 -0.756 1.00 0.00 C ATOM 2065 CD1 ILE B 36 -11.857 4.678 -3.166 1.00 0.00 C ATOM 0 H ILE B 36 -13.911 3.091 -0.365 1.00 0.00 H new ATOM 0 HA ILE B 36 -11.706 4.298 0.966 1.00 0.00 H new ATOM 0 HB ILE B 36 -13.611 5.323 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -10.831 4.055 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.324 3.189 -1.670 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -11.793 6.914 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -12.391 7.184 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -10.852 6.329 -0.366 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.320 3.972 -3.799 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.884 4.772 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.368 5.651 -3.212 1.00 0.00 H new ATOM 2077 N ASN B 37 -14.641 5.647 1.549 1.00 0.00 N ATOM 2078 CA ASN B 37 -15.354 6.659 2.381 1.00 0.00 C ATOM 2079 C ASN B 37 -15.121 6.445 3.882 1.00 0.00 C ATOM 2080 O ASN B 37 -14.856 7.380 4.607 1.00 0.00 O ATOM 2081 CB ASN B 37 -16.854 6.560 2.098 1.00 0.00 C ATOM 2082 CG ASN B 37 -17.599 7.605 2.930 1.00 0.00 C ATOM 2083 OD1 ASN B 37 -18.151 8.545 2.394 1.00 0.00 O ATOM 2084 ND2 ASN B 37 -17.638 7.480 4.228 1.00 0.00 N ATOM 0 H ASN B 37 -15.249 5.024 1.017 1.00 0.00 H new ATOM 0 HA ASN B 37 -14.963 7.642 2.118 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -17.046 6.720 1.037 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -17.216 5.561 2.341 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -18.132 8.171 4.792 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -17.175 6.691 4.679 1.00 0.00 H new ATOM 2091 N ASN B 38 -15.264 5.241 4.368 1.00 0.00 N ATOM 2092 CA ASN B 38 -15.100 5.001 5.839 1.00 0.00 C ATOM 2093 C ASN B 38 -13.647 4.674 6.203 1.00 0.00 C ATOM 2094 O ASN B 38 -13.364 4.328 7.334 1.00 0.00 O ATOM 2095 CB ASN B 38 -15.994 3.833 6.257 1.00 0.00 C ATOM 2096 CG ASN B 38 -16.031 3.737 7.783 1.00 0.00 C ATOM 2097 OD1 ASN B 38 -15.494 4.584 8.470 1.00 0.00 O ATOM 2098 ND2 ASN B 38 -16.646 2.734 8.347 1.00 0.00 N ATOM 0 H ASN B 38 -15.487 4.413 3.815 1.00 0.00 H new ATOM 0 HA ASN B 38 -15.383 5.913 6.364 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -17.002 3.975 5.867 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.616 2.903 5.833 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -16.676 2.661 9.364 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -17.097 2.023 7.771 1.00 0.00 H new ATOM 2105 N GLU B 39 -12.728 4.761 5.272 1.00 0.00 N ATOM 2106 CA GLU B 39 -11.294 4.431 5.590 1.00 0.00 C ATOM 2107 C GLU B 39 -10.380 5.621 5.282 1.00 0.00 C ATOM 2108 O GLU B 39 -9.289 5.710 5.809 1.00 0.00 O ATOM 2109 CB GLU B 39 -10.855 3.235 4.743 1.00 0.00 C ATOM 2110 CG GLU B 39 -11.626 1.986 5.178 1.00 0.00 C ATOM 2111 CD GLU B 39 -11.135 1.531 6.554 1.00 0.00 C ATOM 2112 OE1 GLU B 39 -10.170 2.100 7.037 1.00 0.00 O ATOM 2113 OE2 GLU B 39 -11.734 0.620 7.102 1.00 0.00 O ATOM 0 H GLU B 39 -12.903 5.045 4.308 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.218 4.195 6.652 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.037 3.438 3.688 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.783 3.071 4.856 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.694 2.200 5.215 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.486 1.188 4.449 1.00 0.00 H new ATOM 2120 N LEU B 40 -10.804 6.531 4.438 1.00 0.00 N ATOM 2121 CA LEU B 40 -9.945 7.718 4.099 1.00 0.00 C ATOM 2122 C LEU B 40 -10.695 9.018 4.423 1.00 0.00 C ATOM 2123 O LEU B 40 -10.419 10.060 3.863 1.00 0.00 O ATOM 2124 CB LEU B 40 -9.590 7.671 2.601 1.00 0.00 C ATOM 2125 CG LEU B 40 -8.360 6.758 2.376 1.00 0.00 C ATOM 2126 CD1 LEU B 40 -8.383 6.192 0.952 1.00 0.00 C ATOM 2127 CD2 LEU B 40 -7.066 7.563 2.577 1.00 0.00 C ATOM 0 H LEU B 40 -11.708 6.506 3.967 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.030 7.688 4.691 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.440 7.298 2.029 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.378 8.676 2.237 1.00 0.00 H new ATOM 0 HG LEU B 40 -8.396 5.939 3.095 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.515 5.551 0.801 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -9.293 5.610 0.806 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.358 7.012 0.234 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.205 6.914 2.417 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.036 8.388 1.865 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.038 7.959 3.592 1.00 0.00 H new ATOM 2139 N SER B 41 -11.636 8.962 5.326 1.00 0.00 N ATOM 2140 CA SER B 41 -12.398 10.192 5.690 1.00 0.00 C ATOM 2141 C SER B 41 -11.515 11.118 6.531 1.00 0.00 C ATOM 2142 O SER B 41 -11.712 12.317 6.564 1.00 0.00 O ATOM 2143 CB SER B 41 -13.640 9.806 6.500 1.00 0.00 C ATOM 2144 OG SER B 41 -13.318 9.802 7.886 1.00 0.00 O ATOM 0 H SER B 41 -11.911 8.118 5.828 1.00 0.00 H new ATOM 0 HA SER B 41 -12.701 10.707 4.778 1.00 0.00 H new ATOM 0 HB2 SER B 41 -14.448 10.511 6.305 1.00 0.00 H new ATOM 0 HB3 SER B 41 -13.995 8.822 6.195 1.00 0.00 H new ATOM 0 HG SER B 41 -12.508 9.269 8.032 1.00 0.00 H new ATOM 2150 N HIS B 42 -10.549 10.573 7.220 1.00 0.00 N ATOM 2151 CA HIS B 42 -9.665 11.425 8.066 1.00 0.00 C ATOM 2152 C HIS B 42 -8.712 12.233 7.181 1.00 0.00 C ATOM 2153 O HIS B 42 -8.600 13.435 7.311 1.00 0.00 O ATOM 2154 CB HIS B 42 -8.851 10.535 9.007 1.00 0.00 C ATOM 2155 CG HIS B 42 -9.765 9.917 10.028 1.00 0.00 C ATOM 2156 ND1 HIS B 42 -11.027 9.447 9.700 1.00 0.00 N ATOM 2157 CD2 HIS B 42 -9.617 9.686 11.373 1.00 0.00 C ATOM 2158 CE1 HIS B 42 -11.584 8.962 10.825 1.00 0.00 C ATOM 2159 NE2 HIS B 42 -10.766 9.083 11.874 1.00 0.00 N ATOM 0 H HIS B 42 -10.334 9.576 7.234 1.00 0.00 H new ATOM 0 HA HIS B 42 -10.281 12.111 8.648 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -8.343 9.756 8.439 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -8.079 11.123 9.503 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -8.741 9.935 11.954 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -12.572 8.528 10.874 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -10.945 8.795 12.836 1.00 0.00 H new ATOM 2167 N PHE B 43 -8.022 11.583 6.284 1.00 0.00 N ATOM 2168 CA PHE B 43 -7.076 12.320 5.400 1.00 0.00 C ATOM 2169 C PHE B 43 -7.860 13.292 4.515 1.00 0.00 C ATOM 2170 O PHE B 43 -7.307 14.202 3.934 1.00 0.00 O ATOM 2171 CB PHE B 43 -6.309 11.322 4.528 1.00 0.00 C ATOM 2172 CG PHE B 43 -5.376 10.510 5.398 1.00 0.00 C ATOM 2173 CD1 PHE B 43 -4.082 10.975 5.666 1.00 0.00 C ATOM 2174 CD2 PHE B 43 -5.805 9.290 5.936 1.00 0.00 C ATOM 2175 CE1 PHE B 43 -3.219 10.221 6.471 1.00 0.00 C ATOM 2176 CE2 PHE B 43 -4.942 8.537 6.742 1.00 0.00 C ATOM 2177 CZ PHE B 43 -3.649 9.002 7.009 1.00 0.00 C ATOM 0 H PHE B 43 -8.072 10.577 6.126 1.00 0.00 H new ATOM 0 HA PHE B 43 -6.367 12.881 6.008 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.006 10.664 4.010 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -5.742 11.852 3.762 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -3.750 11.915 5.252 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.802 8.930 5.729 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -2.221 10.580 6.677 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.274 7.597 7.158 1.00 0.00 H new ATOM 0 HZ PHE B 43 -2.983 8.421 7.630 1.00 0.00 H new ATOM 2187 N LEU B 44 -9.147 13.097 4.405 1.00 0.00 N ATOM 2188 CA LEU B 44 -9.980 13.997 3.552 1.00 0.00 C ATOM 2189 C LEU B 44 -9.608 15.461 3.828 1.00 0.00 C ATOM 2190 O LEU B 44 -9.641 16.299 2.949 1.00 0.00 O ATOM 2191 CB LEU B 44 -11.467 13.751 3.884 1.00 0.00 C ATOM 2192 CG LEU B 44 -12.364 14.006 2.655 1.00 0.00 C ATOM 2193 CD1 LEU B 44 -12.118 15.418 2.108 1.00 0.00 C ATOM 2194 CD2 LEU B 44 -12.089 12.957 1.553 1.00 0.00 C ATOM 0 H LEU B 44 -9.661 12.349 4.871 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.801 13.788 2.497 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.600 12.725 4.228 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.772 14.404 4.702 1.00 0.00 H new ATOM 0 HG LEU B 44 -13.406 13.919 2.964 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -12.756 15.588 1.241 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.350 16.153 2.879 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -11.073 15.518 1.815 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -12.731 13.154 0.695 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -11.045 13.017 1.246 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -12.297 11.959 1.940 1.00 0.00 H new ATOM 2206 N GLU B 45 -9.260 15.775 5.043 1.00 0.00 N ATOM 2207 CA GLU B 45 -8.898 17.182 5.371 1.00 0.00 C ATOM 2208 C GLU B 45 -7.477 17.489 4.891 1.00 0.00 C ATOM 2209 O GLU B 45 -7.180 18.589 4.467 1.00 0.00 O ATOM 2210 CB GLU B 45 -8.974 17.386 6.885 1.00 0.00 C ATOM 2211 CG GLU B 45 -10.315 16.866 7.407 1.00 0.00 C ATOM 2212 CD GLU B 45 -10.456 17.215 8.890 1.00 0.00 C ATOM 2213 OE1 GLU B 45 -9.476 17.083 9.605 1.00 0.00 O ATOM 2214 OE2 GLU B 45 -11.541 17.608 9.285 1.00 0.00 O ATOM 0 H GLU B 45 -9.210 15.120 5.823 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.596 17.853 4.870 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -8.154 16.861 7.374 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.864 18.443 7.125 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -11.134 17.307 6.839 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.377 15.787 7.269 1.00 0.00 H new ATOM 2221 N GLU B 46 -6.588 16.536 4.974 1.00 0.00 N ATOM 2222 CA GLU B 46 -5.177 16.783 4.545 1.00 0.00 C ATOM 2223 C GLU B 46 -4.989 16.464 3.055 1.00 0.00 C ATOM 2224 O GLU B 46 -4.142 15.673 2.689 1.00 0.00 O ATOM 2225 CB GLU B 46 -4.243 15.898 5.372 1.00 0.00 C ATOM 2226 CG GLU B 46 -4.369 16.267 6.852 1.00 0.00 C ATOM 2227 CD GLU B 46 -3.521 15.313 7.694 1.00 0.00 C ATOM 2228 OE1 GLU B 46 -4.001 14.233 7.996 1.00 0.00 O ATOM 2229 OE2 GLU B 46 -2.405 15.679 8.025 1.00 0.00 O ATOM 0 H GLU B 46 -6.776 15.595 5.321 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.944 17.836 4.703 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.495 14.848 5.225 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -3.213 16.028 5.040 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.043 17.295 7.010 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.412 16.213 7.163 1.00 0.00 H new ATOM 2236 N ILE B 47 -5.753 17.093 2.193 1.00 0.00 N ATOM 2237 CA ILE B 47 -5.606 16.859 0.715 1.00 0.00 C ATOM 2238 C ILE B 47 -5.448 18.216 0.021 1.00 0.00 C ATOM 2239 O ILE B 47 -6.236 19.117 0.226 1.00 0.00 O ATOM 2240 CB ILE B 47 -6.845 16.133 0.171 1.00 0.00 C ATOM 2241 CG1 ILE B 47 -6.825 14.679 0.658 1.00 0.00 C ATOM 2242 CG2 ILE B 47 -6.827 16.155 -1.364 1.00 0.00 C ATOM 2243 CD1 ILE B 47 -8.143 13.986 0.301 1.00 0.00 C ATOM 0 H ILE B 47 -6.478 17.763 2.449 1.00 0.00 H new ATOM 0 HA ILE B 47 -4.731 16.238 0.523 1.00 0.00 H new ATOM 0 HB ILE B 47 -7.746 16.633 0.526 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -5.990 14.146 0.203 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -6.671 14.651 1.737 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -7.708 15.639 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -6.832 17.188 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -5.928 15.654 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -8.118 12.954 0.651 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -8.971 14.511 0.777 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -8.280 13.999 -0.780 1.00 0.00 H new ATOM 2255 N LYS B 48 -4.431 18.372 -0.794 1.00 0.00 N ATOM 2256 CA LYS B 48 -4.211 19.677 -1.499 1.00 0.00 C ATOM 2257 C LYS B 48 -4.660 19.556 -2.959 1.00 0.00 C ATOM 2258 O LYS B 48 -5.477 20.323 -3.431 1.00 0.00 O ATOM 2259 CB LYS B 48 -2.718 20.028 -1.444 1.00 0.00 C ATOM 2260 CG LYS B 48 -2.424 21.277 -2.289 1.00 0.00 C ATOM 2261 CD LYS B 48 -3.349 22.430 -1.869 1.00 0.00 C ATOM 2262 CE LYS B 48 -2.739 23.769 -2.295 1.00 0.00 C ATOM 2263 NZ LYS B 48 -1.639 24.133 -1.357 1.00 0.00 N ATOM 0 H LYS B 48 -3.742 17.650 -1.002 1.00 0.00 H new ATOM 0 HA LYS B 48 -4.791 20.461 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -2.418 20.203 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -2.128 19.188 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -1.382 21.573 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -2.567 21.052 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -4.330 22.306 -2.327 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -3.496 22.415 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -2.355 23.699 -3.313 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -3.504 24.546 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -1.430 25.148 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -1.931 23.922 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -0.788 23.583 -1.590 1.00 0.00 H new ATOM 2277 N GLU B 49 -4.128 18.606 -3.681 1.00 0.00 N ATOM 2278 CA GLU B 49 -4.522 18.447 -5.111 1.00 0.00 C ATOM 2279 C GLU B 49 -5.923 17.837 -5.195 1.00 0.00 C ATOM 2280 O GLU B 49 -6.111 16.663 -4.943 1.00 0.00 O ATOM 2281 CB GLU B 49 -3.522 17.529 -5.818 1.00 0.00 C ATOM 2282 CG GLU B 49 -2.096 17.989 -5.510 1.00 0.00 C ATOM 2283 CD GLU B 49 -1.099 17.047 -6.188 1.00 0.00 C ATOM 2284 OE1 GLU B 49 -0.748 16.050 -5.579 1.00 0.00 O ATOM 2285 OE2 GLU B 49 -0.703 17.339 -7.305 1.00 0.00 O ATOM 0 H GLU B 49 -3.439 17.934 -3.343 1.00 0.00 H new ATOM 0 HA GLU B 49 -4.524 19.424 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -3.662 16.500 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.696 17.545 -6.894 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -1.947 19.009 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.930 17.998 -4.433 1.00 0.00 H new ATOM 2292 N GLN B 50 -6.907 18.614 -5.559 1.00 0.00 N ATOM 2293 CA GLN B 50 -8.290 18.065 -5.672 1.00 0.00 C ATOM 2294 C GLN B 50 -8.466 17.408 -7.044 1.00 0.00 C ATOM 2295 O GLN B 50 -9.300 16.543 -7.227 1.00 0.00 O ATOM 2296 CB GLN B 50 -9.300 19.205 -5.520 1.00 0.00 C ATOM 2297 CG GLN B 50 -9.205 19.787 -4.108 1.00 0.00 C ATOM 2298 CD GLN B 50 -9.912 21.143 -4.064 1.00 0.00 C ATOM 2299 OE1 GLN B 50 -10.193 21.729 -5.091 1.00 0.00 O ATOM 2300 NE2 GLN B 50 -10.214 21.670 -2.909 1.00 0.00 N ATOM 0 H GLN B 50 -6.814 19.605 -5.783 1.00 0.00 H new ATOM 0 HA GLN B 50 -8.455 17.324 -4.890 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -9.102 19.981 -6.259 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -10.309 18.838 -5.706 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -9.661 19.104 -3.391 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -8.160 19.901 -3.820 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -9.978 21.178 -2.047 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -10.686 22.573 -2.868 1.00 0.00 H new ATOM 2309 N GLU B 51 -7.692 17.818 -8.012 1.00 0.00 N ATOM 2310 CA GLU B 51 -7.819 17.223 -9.374 1.00 0.00 C ATOM 2311 C GLU B 51 -7.246 15.803 -9.385 1.00 0.00 C ATOM 2312 O GLU B 51 -7.625 14.988 -10.203 1.00 0.00 O ATOM 2313 CB GLU B 51 -7.097 18.095 -10.403 1.00 0.00 C ATOM 2314 CG GLU B 51 -7.804 19.449 -10.514 1.00 0.00 C ATOM 2315 CD GLU B 51 -7.505 20.290 -9.270 1.00 0.00 C ATOM 2316 OE1 GLU B 51 -6.524 20.004 -8.604 1.00 0.00 O ATOM 2317 OE2 GLU B 51 -8.264 21.208 -9.005 1.00 0.00 O ATOM 0 H GLU B 51 -6.977 18.539 -7.919 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.875 17.176 -9.639 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.058 18.239 -10.108 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.087 17.598 -11.373 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -7.468 19.973 -11.409 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.879 19.302 -10.616 1.00 0.00 H new ATOM 2324 N VAL B 52 -6.379 15.472 -8.471 1.00 0.00 N ATOM 2325 CA VAL B 52 -5.854 14.078 -8.439 1.00 0.00 C ATOM 2326 C VAL B 52 -6.969 13.173 -7.921 1.00 0.00 C ATOM 2327 O VAL B 52 -7.252 12.139 -8.492 1.00 0.00 O ATOM 2328 CB VAL B 52 -4.658 13.987 -7.488 1.00 0.00 C ATOM 2329 CG1 VAL B 52 -4.225 12.525 -7.356 1.00 0.00 C ATOM 2330 CG2 VAL B 52 -3.495 14.810 -8.041 1.00 0.00 C ATOM 0 H VAL B 52 -6.014 16.097 -7.752 1.00 0.00 H new ATOM 0 HA VAL B 52 -5.534 13.777 -9.437 1.00 0.00 H new ATOM 0 HB VAL B 52 -4.944 14.376 -6.511 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.373 12.457 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -5.051 11.935 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -3.942 12.140 -8.335 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -2.646 14.743 -7.361 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -3.208 14.423 -9.019 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -3.800 15.852 -8.138 1.00 0.00 H new ATOM 2340 N VAL B 53 -7.611 13.548 -6.852 1.00 0.00 N ATOM 2341 CA VAL B 53 -8.707 12.697 -6.321 1.00 0.00 C ATOM 2342 C VAL B 53 -9.829 12.627 -7.357 1.00 0.00 C ATOM 2343 O VAL B 53 -10.504 11.627 -7.495 1.00 0.00 O ATOM 2344 CB VAL B 53 -9.244 13.306 -5.025 1.00 0.00 C ATOM 2345 CG1 VAL B 53 -10.302 12.378 -4.425 1.00 0.00 C ATOM 2346 CG2 VAL B 53 -8.095 13.476 -4.029 1.00 0.00 C ATOM 0 H VAL B 53 -7.425 14.402 -6.326 1.00 0.00 H new ATOM 0 HA VAL B 53 -8.331 11.694 -6.118 1.00 0.00 H new ATOM 0 HB VAL B 53 -9.690 14.277 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -10.685 12.812 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -11.121 12.253 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -9.855 11.407 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -8.476 13.910 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -7.650 12.504 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -7.339 14.136 -4.455 1.00 0.00 H new ATOM 2356 N ASP B 54 -10.032 13.692 -8.085 1.00 0.00 N ATOM 2357 CA ASP B 54 -11.108 13.702 -9.113 1.00 0.00 C ATOM 2358 C ASP B 54 -10.860 12.585 -10.128 1.00 0.00 C ATOM 2359 O ASP B 54 -11.761 11.859 -10.500 1.00 0.00 O ATOM 2360 CB ASP B 54 -11.111 15.050 -9.837 1.00 0.00 C ATOM 2361 CG ASP B 54 -11.517 16.157 -8.862 1.00 0.00 C ATOM 2362 OD1 ASP B 54 -12.136 15.839 -7.860 1.00 0.00 O ATOM 2363 OD2 ASP B 54 -11.202 17.303 -9.135 1.00 0.00 O ATOM 0 H ASP B 54 -9.497 14.557 -8.011 1.00 0.00 H new ATOM 0 HA ASP B 54 -12.071 13.545 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -10.122 15.257 -10.246 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -11.804 15.021 -10.678 1.00 0.00 H new ATOM 2368 N LYS B 55 -9.644 12.450 -10.594 1.00 0.00 N ATOM 2369 CA LYS B 55 -9.348 11.389 -11.600 1.00 0.00 C ATOM 2370 C LYS B 55 -9.434 10.012 -10.943 1.00 0.00 C ATOM 2371 O LYS B 55 -9.729 9.031 -11.595 1.00 0.00 O ATOM 2372 CB LYS B 55 -7.953 11.595 -12.194 1.00 0.00 C ATOM 2373 CG LYS B 55 -7.914 12.887 -13.024 1.00 0.00 C ATOM 2374 CD LYS B 55 -8.525 12.654 -14.413 1.00 0.00 C ATOM 2375 CE LYS B 55 -8.177 13.831 -15.325 1.00 0.00 C ATOM 2376 NZ LYS B 55 -6.750 13.729 -15.740 1.00 0.00 N ATOM 0 H LYS B 55 -8.848 13.026 -10.322 1.00 0.00 H new ATOM 0 HA LYS B 55 -10.084 11.451 -12.402 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -7.214 11.645 -11.395 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -7.688 10.744 -12.821 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -8.462 13.675 -12.507 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -6.884 13.229 -13.126 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -8.145 11.725 -14.838 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.607 12.549 -14.333 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -8.824 13.829 -16.203 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.349 14.773 -14.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -6.592 14.312 -16.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -6.139 14.066 -14.969 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -6.521 12.738 -15.955 1.00 0.00 H new ATOM 2390 N VAL B 56 -9.221 9.920 -9.660 1.00 0.00 N ATOM 2391 CA VAL B 56 -9.341 8.597 -8.992 1.00 0.00 C ATOM 2392 C VAL B 56 -10.805 8.162 -9.071 1.00 0.00 C ATOM 2393 O VAL B 56 -11.124 7.110 -9.588 1.00 0.00 O ATOM 2394 CB VAL B 56 -8.902 8.731 -7.526 1.00 0.00 C ATOM 2395 CG1 VAL B 56 -9.374 7.517 -6.720 1.00 0.00 C ATOM 2396 CG2 VAL B 56 -7.375 8.809 -7.467 1.00 0.00 C ATOM 0 H VAL B 56 -8.971 10.698 -9.050 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.708 7.855 -9.478 1.00 0.00 H new ATOM 0 HB VAL B 56 -9.342 9.634 -7.102 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -9.057 7.623 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -10.461 7.453 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -8.940 6.610 -7.141 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -7.055 8.904 -6.429 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -6.948 7.903 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -7.033 9.675 -8.033 1.00 0.00 H new ATOM 2406 N MET B 57 -11.698 8.966 -8.563 1.00 0.00 N ATOM 2407 CA MET B 57 -13.138 8.597 -8.612 1.00 0.00 C ATOM 2408 C MET B 57 -13.533 8.273 -10.054 1.00 0.00 C ATOM 2409 O MET B 57 -14.448 7.511 -10.298 1.00 0.00 O ATOM 2410 CB MET B 57 -13.985 9.763 -8.096 1.00 0.00 C ATOM 2411 CG MET B 57 -13.712 9.973 -6.604 1.00 0.00 C ATOM 2412 SD MET B 57 -14.438 8.609 -5.660 1.00 0.00 S ATOM 2413 CE MET B 57 -14.192 9.312 -4.010 1.00 0.00 C ATOM 0 H MET B 57 -11.492 9.860 -8.117 1.00 0.00 H new ATOM 0 HA MET B 57 -13.310 7.722 -7.985 1.00 0.00 H new ATOM 0 HB2 MET B 57 -13.749 10.671 -8.651 1.00 0.00 H new ATOM 0 HB3 MET B 57 -15.043 9.557 -8.257 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.638 10.023 -6.423 1.00 0.00 H new ATOM 0 HG3 MET B 57 -14.135 10.922 -6.276 1.00 0.00 H new ATOM 0 HE1 MET B 57 -14.576 8.621 -3.259 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.128 9.478 -3.840 1.00 0.00 H new ATOM 0 HE3 MET B 57 -14.724 10.261 -3.936 1.00 0.00 H new ATOM 2423 N GLU B 58 -12.834 8.826 -11.019 1.00 0.00 N ATOM 2424 CA GLU B 58 -13.149 8.529 -12.449 1.00 0.00 C ATOM 2425 C GLU B 58 -12.362 7.290 -12.887 1.00 0.00 C ATOM 2426 O GLU B 58 -12.866 6.453 -13.607 1.00 0.00 O ATOM 2427 CB GLU B 58 -12.794 9.740 -13.326 1.00 0.00 C ATOM 2428 CG GLU B 58 -13.616 9.721 -14.620 1.00 0.00 C ATOM 2429 CD GLU B 58 -13.174 8.550 -15.498 1.00 0.00 C ATOM 2430 OE1 GLU B 58 -12.041 8.121 -15.353 1.00 0.00 O ATOM 2431 OE2 GLU B 58 -13.976 8.106 -16.302 1.00 0.00 O ATOM 0 H GLU B 58 -12.058 9.471 -10.874 1.00 0.00 H new ATOM 0 HA GLU B 58 -14.215 8.331 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -12.987 10.663 -12.779 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -11.730 9.726 -13.563 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -14.677 9.632 -14.386 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -13.486 10.660 -15.158 1.00 0.00 H new ATOM 2438 N THR B 59 -11.140 7.149 -12.446 1.00 0.00 N ATOM 2439 CA THR B 59 -10.359 5.942 -12.837 1.00 0.00 C ATOM 2440 C THR B 59 -11.008 4.733 -12.174 1.00 0.00 C ATOM 2441 O THR B 59 -11.263 3.733 -12.816 1.00 0.00 O ATOM 2442 CB THR B 59 -8.901 6.078 -12.391 1.00 0.00 C ATOM 2443 OG1 THR B 59 -8.429 7.379 -12.712 1.00 0.00 O ATOM 2444 CG2 THR B 59 -8.047 5.032 -13.110 1.00 0.00 C ATOM 0 H THR B 59 -10.654 7.810 -11.839 1.00 0.00 H new ATOM 0 HA THR B 59 -10.362 5.826 -13.921 1.00 0.00 H new ATOM 0 HB THR B 59 -8.833 5.922 -11.314 1.00 0.00 H new ATOM 0 HG1 THR B 59 -8.682 8.004 -12.001 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.009 5.129 -12.792 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.410 4.034 -12.864 1.00 0.00 H new ATOM 0 HG23 THR B 59 -8.113 5.186 -14.187 1.00 0.00 H new ATOM 2452 N LEU B 60 -11.328 4.818 -10.916 1.00 0.00 N ATOM 2453 CA LEU B 60 -12.014 3.681 -10.253 1.00 0.00 C ATOM 2454 C LEU B 60 -13.335 3.432 -10.983 1.00 0.00 C ATOM 2455 O LEU B 60 -13.584 2.351 -11.479 1.00 0.00 O ATOM 2456 CB LEU B 60 -12.286 4.060 -8.791 1.00 0.00 C ATOM 2457 CG LEU B 60 -13.207 3.030 -8.123 1.00 0.00 C ATOM 2458 CD1 LEU B 60 -12.622 1.623 -8.287 1.00 0.00 C ATOM 2459 CD2 LEU B 60 -13.329 3.363 -6.631 1.00 0.00 C ATOM 0 H LEU B 60 -11.144 5.625 -10.320 1.00 0.00 H new ATOM 0 HA LEU B 60 -11.401 2.780 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -11.344 4.121 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -12.745 5.048 -8.746 1.00 0.00 H new ATOM 0 HG LEU B 60 -14.190 3.062 -8.592 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -13.281 0.897 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -12.530 1.388 -9.348 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -11.638 1.581 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -13.982 2.636 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -12.343 3.328 -6.169 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -13.749 4.362 -6.514 1.00 0.00 H new ATOM 2471 N ASP B 61 -14.182 4.421 -11.059 1.00 0.00 N ATOM 2472 CA ASP B 61 -15.479 4.228 -11.764 1.00 0.00 C ATOM 2473 C ASP B 61 -15.223 3.612 -13.143 1.00 0.00 C ATOM 2474 O ASP B 61 -16.111 3.059 -13.761 1.00 0.00 O ATOM 2475 CB ASP B 61 -16.177 5.579 -11.930 1.00 0.00 C ATOM 2476 CG ASP B 61 -17.566 5.363 -12.533 1.00 0.00 C ATOM 2477 OD1 ASP B 61 -18.238 4.438 -12.108 1.00 0.00 O ATOM 2478 OD2 ASP B 61 -17.934 6.126 -13.411 1.00 0.00 O ATOM 0 H ASP B 61 -14.033 5.350 -10.665 1.00 0.00 H new ATOM 0 HA ASP B 61 -16.114 3.562 -11.180 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -16.261 6.078 -10.965 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -15.586 6.229 -12.575 1.00 0.00 H new ATOM 2483 N GLU B 62 -14.011 3.707 -13.633 1.00 0.00 N ATOM 2484 CA GLU B 62 -13.685 3.132 -14.976 1.00 0.00 C ATOM 2485 C GLU B 62 -12.980 1.796 -14.804 1.00 0.00 C ATOM 2486 O GLU B 62 -12.033 1.471 -15.494 1.00 0.00 O ATOM 2487 CB GLU B 62 -12.764 4.069 -15.706 1.00 0.00 C ATOM 2488 CG GLU B 62 -13.541 5.297 -16.190 1.00 0.00 C ATOM 2489 CD GLU B 62 -14.415 4.915 -17.387 1.00 0.00 C ATOM 2490 OE1 GLU B 62 -13.966 4.118 -18.194 1.00 0.00 O ATOM 2491 OE2 GLU B 62 -15.518 5.429 -17.478 1.00 0.00 O ATOM 0 H GLU B 62 -13.230 4.160 -13.159 1.00 0.00 H new ATOM 0 HA GLU B 62 -14.608 2.994 -15.540 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -11.951 4.379 -15.049 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -12.310 3.558 -16.555 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -14.162 5.687 -15.384 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -12.848 6.090 -16.471 1.00 0.00 H new ATOM 2498 N ASP B 63 -13.444 1.041 -13.886 1.00 0.00 N ATOM 2499 CA ASP B 63 -12.845 -0.301 -13.607 1.00 0.00 C ATOM 2500 C ASP B 63 -12.603 -1.022 -14.935 1.00 0.00 C ATOM 2501 O ASP B 63 -11.632 -1.730 -15.105 1.00 0.00 O ATOM 2502 CB ASP B 63 -13.843 -1.114 -12.780 1.00 0.00 C ATOM 2503 CG ASP B 63 -13.291 -2.519 -12.536 1.00 0.00 C ATOM 2504 OD1 ASP B 63 -12.082 -2.671 -12.555 1.00 0.00 O ATOM 2505 OD2 ASP B 63 -14.089 -3.420 -12.334 1.00 0.00 O ATOM 0 H ASP B 63 -14.234 1.285 -13.289 1.00 0.00 H new ATOM 0 HA ASP B 63 -11.905 -0.190 -13.067 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -14.031 -0.617 -11.828 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -14.798 -1.174 -13.302 1.00 0.00 H new ATOM 2510 N GLY B 64 -13.469 -0.794 -15.882 1.00 0.00 N ATOM 2511 CA GLY B 64 -13.323 -1.407 -17.238 1.00 0.00 C ATOM 2512 C GLY B 64 -13.087 -2.928 -17.178 1.00 0.00 C ATOM 2513 O GLY B 64 -13.090 -3.585 -18.201 1.00 0.00 O ATOM 0 H GLY B 64 -14.289 -0.197 -15.774 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -14.221 -1.205 -17.823 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -12.490 -0.934 -17.759 1.00 0.00 H new ATOM 2517 N ASP B 65 -12.876 -3.504 -16.016 1.00 0.00 N ATOM 2518 CA ASP B 65 -12.637 -4.993 -15.937 1.00 0.00 C ATOM 2519 C ASP B 65 -13.882 -5.757 -15.414 1.00 0.00 C ATOM 2520 O ASP B 65 -14.086 -6.893 -15.794 1.00 0.00 O ATOM 2521 CB ASP B 65 -11.465 -5.254 -14.986 1.00 0.00 C ATOM 2522 CG ASP B 65 -10.174 -4.714 -15.603 1.00 0.00 C ATOM 2523 OD1 ASP B 65 -10.110 -4.635 -16.819 1.00 0.00 O ATOM 2524 OD2 ASP B 65 -9.270 -4.390 -14.850 1.00 0.00 O ATOM 0 H ASP B 65 -12.858 -3.015 -15.121 1.00 0.00 H new ATOM 0 HA ASP B 65 -12.420 -5.352 -16.943 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.649 -4.774 -14.025 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -11.369 -6.323 -14.795 1.00 0.00 H new ATOM 2529 N GLY B 66 -14.711 -5.190 -14.558 1.00 0.00 N ATOM 2530 CA GLY B 66 -15.907 -5.937 -14.049 1.00 0.00 C ATOM 2531 C GLY B 66 -15.626 -6.405 -12.619 1.00 0.00 C ATOM 2532 O GLY B 66 -16.528 -6.585 -11.824 1.00 0.00 O ATOM 0 H GLY B 66 -14.607 -4.243 -14.193 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -16.789 -5.296 -14.070 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -16.119 -6.792 -14.691 1.00 0.00 H new ATOM 2536 N GLU B 67 -14.374 -6.588 -12.280 1.00 0.00 N ATOM 2537 CA GLU B 67 -14.023 -7.027 -10.892 1.00 0.00 C ATOM 2538 C GLU B 67 -12.671 -6.425 -10.499 1.00 0.00 C ATOM 2539 O GLU B 67 -11.717 -6.501 -11.249 1.00 0.00 O ATOM 2540 CB GLU B 67 -13.943 -8.554 -10.839 1.00 0.00 C ATOM 2541 CG GLU B 67 -15.326 -9.147 -11.116 1.00 0.00 C ATOM 2542 CD GLU B 67 -15.304 -10.651 -10.838 1.00 0.00 C ATOM 2543 OE1 GLU B 67 -14.784 -11.379 -11.667 1.00 0.00 O ATOM 2544 OE2 GLU B 67 -15.807 -11.049 -9.801 1.00 0.00 O ATOM 0 H GLU B 67 -13.579 -6.453 -12.904 1.00 0.00 H new ATOM 0 HA GLU B 67 -14.790 -6.686 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -13.226 -8.917 -11.575 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -13.587 -8.876 -9.861 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -16.073 -8.662 -10.488 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -15.611 -8.962 -12.152 1.00 0.00 H new ATOM 2551 N CYS B 68 -12.574 -5.823 -9.335 1.00 0.00 N ATOM 2552 CA CYS B 68 -11.277 -5.210 -8.899 1.00 0.00 C ATOM 2553 C CYS B 68 -10.621 -6.097 -7.837 1.00 0.00 C ATOM 2554 O CYS B 68 -11.231 -6.452 -6.847 1.00 0.00 O ATOM 2555 CB CYS B 68 -11.547 -3.822 -8.312 1.00 0.00 C ATOM 2556 SG CYS B 68 -12.739 -2.949 -9.358 1.00 0.00 S ATOM 0 H CYS B 68 -13.339 -5.730 -8.667 1.00 0.00 H new ATOM 0 HA CYS B 68 -10.609 -5.121 -9.756 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -11.935 -3.913 -7.297 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -10.618 -3.255 -8.248 1.00 0.00 H new ATOM 0 HG CYS B 68 -12.518 -1.670 -9.293 1.00 0.00 H new ATOM 2562 N ASP B 69 -9.383 -6.462 -8.040 1.00 0.00 N ATOM 2563 CA ASP B 69 -8.682 -7.331 -7.050 1.00 0.00 C ATOM 2564 C ASP B 69 -8.105 -6.473 -5.918 1.00 0.00 C ATOM 2565 O ASP B 69 -8.330 -5.280 -5.850 1.00 0.00 O ATOM 2566 CB ASP B 69 -7.546 -8.076 -7.753 1.00 0.00 C ATOM 2567 CG ASP B 69 -6.717 -7.085 -8.571 1.00 0.00 C ATOM 2568 OD1 ASP B 69 -6.460 -6.003 -8.069 1.00 0.00 O ATOM 2569 OD2 ASP B 69 -6.356 -7.423 -9.685 1.00 0.00 O ATOM 0 H ASP B 69 -8.825 -6.195 -8.851 1.00 0.00 H new ATOM 0 HA ASP B 69 -9.390 -8.045 -6.630 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -6.915 -8.575 -7.018 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -7.952 -8.851 -8.403 1.00 0.00 H new ATOM 2574 N PHE B 70 -7.358 -7.076 -5.034 1.00 0.00 N ATOM 2575 CA PHE B 70 -6.756 -6.304 -3.906 1.00 0.00 C ATOM 2576 C PHE B 70 -5.593 -5.459 -4.437 1.00 0.00 C ATOM 2577 O PHE B 70 -5.262 -4.434 -3.876 1.00 0.00 O ATOM 2578 CB PHE B 70 -6.258 -7.278 -2.833 1.00 0.00 C ATOM 2579 CG PHE B 70 -5.846 -6.524 -1.588 1.00 0.00 C ATOM 2580 CD1 PHE B 70 -4.627 -5.834 -1.557 1.00 0.00 C ATOM 2581 CD2 PHE B 70 -6.677 -6.524 -0.461 1.00 0.00 C ATOM 2582 CE1 PHE B 70 -4.241 -5.146 -0.401 1.00 0.00 C ATOM 2583 CE2 PHE B 70 -6.290 -5.836 0.694 1.00 0.00 C ATOM 2584 CZ PHE B 70 -5.072 -5.147 0.725 1.00 0.00 C ATOM 0 H PHE B 70 -7.137 -8.072 -5.043 1.00 0.00 H new ATOM 0 HA PHE B 70 -7.503 -5.644 -3.465 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -7.043 -7.994 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.413 -7.850 -3.216 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.985 -5.833 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -7.617 -7.055 -0.483 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -3.301 -4.614 -0.378 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -6.932 -5.836 1.563 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.774 -4.617 1.617 1.00 0.00 H new ATOM 2594 N GLN B 71 -4.978 -5.861 -5.513 1.00 0.00 N ATOM 2595 CA GLN B 71 -3.852 -5.051 -6.060 1.00 0.00 C ATOM 2596 C GLN B 71 -4.387 -3.681 -6.490 1.00 0.00 C ATOM 2597 O GLN B 71 -3.729 -2.672 -6.338 1.00 0.00 O ATOM 2598 CB GLN B 71 -3.249 -5.765 -7.272 1.00 0.00 C ATOM 2599 CG GLN B 71 -2.928 -7.214 -6.904 1.00 0.00 C ATOM 2600 CD GLN B 71 -2.246 -7.903 -8.087 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -2.819 -8.015 -9.152 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -1.036 -8.373 -7.945 1.00 0.00 N ATOM 0 H GLN B 71 -5.203 -6.708 -6.035 1.00 0.00 H new ATOM 0 HA GLN B 71 -3.084 -4.926 -5.297 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -3.948 -5.737 -8.108 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -2.344 -5.252 -7.596 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -2.278 -7.243 -6.029 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -3.843 -7.744 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.554 -8.279 -7.051 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -0.573 -8.834 -8.728 1.00 0.00 H new ATOM 2611 N GLU B 72 -5.579 -3.637 -7.018 1.00 0.00 N ATOM 2612 CA GLU B 72 -6.161 -2.333 -7.450 1.00 0.00 C ATOM 2613 C GLU B 72 -6.529 -1.498 -6.218 1.00 0.00 C ATOM 2614 O GLU B 72 -6.609 -0.290 -6.273 1.00 0.00 O ATOM 2615 CB GLU B 72 -7.403 -2.579 -8.308 1.00 0.00 C ATOM 2616 CG GLU B 72 -6.983 -3.148 -9.667 1.00 0.00 C ATOM 2617 CD GLU B 72 -8.197 -3.771 -10.360 1.00 0.00 C ATOM 2618 OE1 GLU B 72 -9.013 -3.020 -10.869 1.00 0.00 O ATOM 2619 OE2 GLU B 72 -8.288 -4.987 -10.371 1.00 0.00 O ATOM 0 H GLU B 72 -6.177 -4.449 -7.170 1.00 0.00 H new ATOM 0 HA GLU B 72 -5.425 -1.788 -8.041 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -8.075 -3.274 -7.803 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -7.952 -1.648 -8.446 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -6.562 -2.358 -10.289 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.203 -3.898 -9.533 1.00 0.00 H new ATOM 2626 N PHE B 73 -6.724 -2.143 -5.102 1.00 0.00 N ATOM 2627 CA PHE B 73 -7.056 -1.407 -3.845 1.00 0.00 C ATOM 2628 C PHE B 73 -5.780 -0.754 -3.289 1.00 0.00 C ATOM 2629 O PHE B 73 -5.811 0.380 -2.860 1.00 0.00 O ATOM 2630 CB PHE B 73 -7.696 -2.382 -2.833 1.00 0.00 C ATOM 2631 CG PHE B 73 -7.482 -1.917 -1.404 1.00 0.00 C ATOM 2632 CD1 PHE B 73 -6.236 -2.100 -0.790 1.00 0.00 C ATOM 2633 CD2 PHE B 73 -8.527 -1.311 -0.697 1.00 0.00 C ATOM 2634 CE1 PHE B 73 -6.037 -1.676 0.529 1.00 0.00 C ATOM 2635 CE2 PHE B 73 -8.327 -0.887 0.622 1.00 0.00 C ATOM 2636 CZ PHE B 73 -7.082 -1.069 1.235 1.00 0.00 C ATOM 0 H PHE B 73 -6.668 -3.157 -5.004 1.00 0.00 H new ATOM 0 HA PHE B 73 -7.778 -0.615 -4.044 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -8.764 -2.467 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -7.267 -3.376 -2.962 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -5.429 -2.568 -1.334 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -9.488 -1.170 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -5.077 -1.817 1.002 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -9.134 -0.419 1.167 1.00 0.00 H new ATOM 0 HZ PHE B 73 -6.928 -0.741 2.252 1.00 0.00 H new ATOM 2646 N MET B 74 -4.665 -1.421 -3.293 1.00 0.00 N ATOM 2647 CA MET B 74 -3.442 -0.753 -2.756 1.00 0.00 C ATOM 2648 C MET B 74 -3.037 0.384 -3.704 1.00 0.00 C ATOM 2649 O MET B 74 -2.917 1.518 -3.286 1.00 0.00 O ATOM 2650 CB MET B 74 -2.299 -1.766 -2.619 1.00 0.00 C ATOM 2651 CG MET B 74 -1.259 -1.235 -1.627 1.00 0.00 C ATOM 2652 SD MET B 74 -1.951 -1.279 0.051 1.00 0.00 S ATOM 2653 CE MET B 74 -1.748 0.474 0.464 1.00 0.00 C ATOM 0 H MET B 74 -4.542 -2.374 -3.634 1.00 0.00 H new ATOM 0 HA MET B 74 -3.654 -0.345 -1.768 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.688 -2.724 -2.275 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.835 -1.940 -3.590 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.353 -1.839 -1.675 1.00 0.00 H new ATOM 0 HG3 MET B 74 -0.977 -0.215 -1.890 1.00 0.00 H new ATOM 0 HE1 MET B 74 -1.509 0.573 1.523 1.00 0.00 H new ATOM 0 HE2 MET B 74 -0.939 0.897 -0.131 1.00 0.00 H new ATOM 0 HE3 MET B 74 -2.674 1.008 0.249 1.00 0.00 H new ATOM 2663 N ALA B 75 -2.820 0.119 -4.961 1.00 0.00 N ATOM 2664 CA ALA B 75 -2.422 1.218 -5.891 1.00 0.00 C ATOM 2665 C ALA B 75 -3.381 2.407 -5.771 1.00 0.00 C ATOM 2666 O ALA B 75 -2.957 3.545 -5.732 1.00 0.00 O ATOM 2667 CB ALA B 75 -2.446 0.691 -7.327 1.00 0.00 C ATOM 0 H ALA B 75 -2.900 -0.805 -5.386 1.00 0.00 H new ATOM 0 HA ALA B 75 -1.419 1.554 -5.628 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -2.156 1.488 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -1.747 -0.140 -7.421 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -3.452 0.349 -7.572 1.00 0.00 H new ATOM 2673 N PHE B 76 -4.661 2.171 -5.721 1.00 0.00 N ATOM 2674 CA PHE B 76 -5.611 3.320 -5.612 1.00 0.00 C ATOM 2675 C PHE B 76 -5.501 3.950 -4.218 1.00 0.00 C ATOM 2676 O PHE B 76 -5.628 5.148 -4.058 1.00 0.00 O ATOM 2677 CB PHE B 76 -7.049 2.832 -5.864 1.00 0.00 C ATOM 2678 CG PHE B 76 -7.330 2.818 -7.355 1.00 0.00 C ATOM 2679 CD1 PHE B 76 -6.596 1.974 -8.197 1.00 0.00 C ATOM 2680 CD2 PHE B 76 -8.315 3.656 -7.893 1.00 0.00 C ATOM 2681 CE1 PHE B 76 -6.848 1.965 -9.575 1.00 0.00 C ATOM 2682 CE2 PHE B 76 -8.566 3.649 -9.269 1.00 0.00 C ATOM 2683 CZ PHE B 76 -7.834 2.803 -10.110 1.00 0.00 C ATOM 0 H PHE B 76 -5.090 1.246 -5.750 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.358 4.071 -6.360 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -7.182 1.833 -5.450 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -7.759 3.485 -5.356 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -5.835 1.329 -7.784 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.881 4.308 -7.245 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -6.283 1.313 -10.224 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.325 4.297 -9.683 1.00 0.00 H new ATOM 0 HZ PHE B 76 -8.030 2.797 -11.172 1.00 0.00 H new ATOM 2693 N VAL B 77 -5.256 3.160 -3.215 1.00 0.00 N ATOM 2694 CA VAL B 77 -5.127 3.733 -1.845 1.00 0.00 C ATOM 2695 C VAL B 77 -3.839 4.562 -1.780 1.00 0.00 C ATOM 2696 O VAL B 77 -3.764 5.557 -1.086 1.00 0.00 O ATOM 2697 CB VAL B 77 -5.089 2.595 -0.811 1.00 0.00 C ATOM 2698 CG1 VAL B 77 -4.565 3.119 0.533 1.00 0.00 C ATOM 2699 CG2 VAL B 77 -6.506 2.039 -0.617 1.00 0.00 C ATOM 0 H VAL B 77 -5.140 2.149 -3.280 1.00 0.00 H new ATOM 0 HA VAL B 77 -5.980 4.373 -1.621 1.00 0.00 H new ATOM 0 HB VAL B 77 -4.426 1.809 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -4.543 2.305 1.257 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -3.558 3.515 0.401 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -5.222 3.910 0.896 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -6.483 1.232 0.115 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -7.163 2.833 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -6.880 1.657 -1.567 1.00 0.00 H new ATOM 2709 N SER B 78 -2.828 4.162 -2.500 1.00 0.00 N ATOM 2710 CA SER B 78 -1.549 4.928 -2.482 1.00 0.00 C ATOM 2711 C SER B 78 -1.747 6.277 -3.179 1.00 0.00 C ATOM 2712 O SER B 78 -1.434 7.317 -2.635 1.00 0.00 O ATOM 2713 CB SER B 78 -0.473 4.134 -3.220 1.00 0.00 C ATOM 2714 OG SER B 78 0.799 4.713 -2.962 1.00 0.00 O ATOM 0 H SER B 78 -2.832 3.338 -3.101 1.00 0.00 H new ATOM 0 HA SER B 78 -1.242 5.094 -1.449 1.00 0.00 H new ATOM 0 HB2 SER B 78 -0.485 3.094 -2.894 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.675 4.135 -4.291 1.00 0.00 H new ATOM 0 HG SER B 78 1.492 4.204 -3.433 1.00 0.00 H new ATOM 2720 N MET B 79 -2.246 6.269 -4.383 1.00 0.00 N ATOM 2721 CA MET B 79 -2.442 7.550 -5.118 1.00 0.00 C ATOM 2722 C MET B 79 -3.229 8.530 -4.253 1.00 0.00 C ATOM 2723 O MET B 79 -2.831 9.659 -4.058 1.00 0.00 O ATOM 2724 CB MET B 79 -3.220 7.276 -6.407 1.00 0.00 C ATOM 2725 CG MET B 79 -2.320 6.544 -7.404 1.00 0.00 C ATOM 2726 SD MET B 79 -3.336 5.831 -8.723 1.00 0.00 S ATOM 2727 CE MET B 79 -3.195 7.203 -9.895 1.00 0.00 C ATOM 0 H MET B 79 -2.527 5.430 -4.891 1.00 0.00 H new ATOM 0 HA MET B 79 -1.470 7.982 -5.355 1.00 0.00 H new ATOM 0 HB2 MET B 79 -4.103 6.675 -6.190 1.00 0.00 H new ATOM 0 HB3 MET B 79 -3.570 8.214 -6.838 1.00 0.00 H new ATOM 0 HG2 MET B 79 -1.589 7.234 -7.826 1.00 0.00 H new ATOM 0 HG3 MET B 79 -1.760 5.758 -6.896 1.00 0.00 H new ATOM 0 HE1 MET B 79 -3.758 6.969 -10.798 1.00 0.00 H new ATOM 0 HE2 MET B 79 -3.595 8.111 -9.443 1.00 0.00 H new ATOM 0 HE3 MET B 79 -2.147 7.357 -10.151 1.00 0.00 H new ATOM 2737 N VAL B 80 -4.349 8.109 -3.745 1.00 0.00 N ATOM 2738 CA VAL B 80 -5.171 9.024 -2.901 1.00 0.00 C ATOM 2739 C VAL B 80 -4.341 9.507 -1.709 1.00 0.00 C ATOM 2740 O VAL B 80 -4.402 10.659 -1.327 1.00 0.00 O ATOM 2741 CB VAL B 80 -6.407 8.278 -2.393 1.00 0.00 C ATOM 2742 CG1 VAL B 80 -7.199 9.185 -1.449 1.00 0.00 C ATOM 2743 CG2 VAL B 80 -7.292 7.885 -3.578 1.00 0.00 C ATOM 0 H VAL B 80 -4.734 7.173 -3.875 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.483 9.882 -3.496 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.093 7.381 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -8.079 8.654 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.572 9.466 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -7.511 10.082 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -8.172 7.354 -3.215 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -7.605 8.782 -4.112 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.731 7.238 -4.253 1.00 0.00 H new ATOM 2753 N THR B 81 -3.556 8.646 -1.125 1.00 0.00 N ATOM 2754 CA THR B 81 -2.716 9.076 0.029 1.00 0.00 C ATOM 2755 C THR B 81 -1.627 10.023 -0.480 1.00 0.00 C ATOM 2756 O THR B 81 -1.410 11.090 0.060 1.00 0.00 O ATOM 2757 CB THR B 81 -2.067 7.850 0.676 1.00 0.00 C ATOM 2758 OG1 THR B 81 -3.061 6.865 0.923 1.00 0.00 O ATOM 2759 CG2 THR B 81 -1.408 8.254 1.996 1.00 0.00 C ATOM 0 H THR B 81 -3.459 7.667 -1.395 1.00 0.00 H new ATOM 0 HA THR B 81 -3.334 9.585 0.768 1.00 0.00 H new ATOM 0 HB THR B 81 -1.310 7.444 0.005 1.00 0.00 H new ATOM 0 HG1 THR B 81 -3.001 6.162 0.243 1.00 0.00 H new ATOM 0 HG21 THR B 81 -0.947 7.380 2.455 1.00 0.00 H new ATOM 0 HG22 THR B 81 -0.645 9.009 1.806 1.00 0.00 H new ATOM 0 HG23 THR B 81 -2.162 8.662 2.669 1.00 0.00 H new ATOM 2767 N THR B 82 -0.946 9.636 -1.523 1.00 0.00 N ATOM 2768 CA THR B 82 0.129 10.498 -2.089 1.00 0.00 C ATOM 2769 C THR B 82 -0.497 11.697 -2.809 1.00 0.00 C ATOM 2770 O THR B 82 0.156 12.691 -3.060 1.00 0.00 O ATOM 2771 CB THR B 82 0.965 9.684 -3.080 1.00 0.00 C ATOM 2772 OG1 THR B 82 0.131 9.221 -4.133 1.00 0.00 O ATOM 2773 CG2 THR B 82 1.594 8.490 -2.359 1.00 0.00 C ATOM 0 H THR B 82 -1.090 8.752 -2.011 1.00 0.00 H new ATOM 0 HA THR B 82 0.768 10.857 -1.282 1.00 0.00 H new ATOM 0 HB THR B 82 1.754 10.312 -3.493 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.407 8.466 -3.816 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.189 7.911 -3.065 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.234 8.848 -1.553 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.807 7.859 -1.945 1.00 0.00 H new ATOM 2781 N ALA B 83 -1.756 11.612 -3.145 1.00 0.00 N ATOM 2782 CA ALA B 83 -2.417 12.748 -3.849 1.00 0.00 C ATOM 2783 C ALA B 83 -2.244 14.022 -3.023 1.00 0.00 C ATOM 2784 O ALA B 83 -2.200 15.115 -3.551 1.00 0.00 O ATOM 2785 CB ALA B 83 -3.909 12.453 -4.018 1.00 0.00 C ATOM 0 H ALA B 83 -2.354 10.806 -2.963 1.00 0.00 H new ATOM 0 HA ALA B 83 -1.962 12.880 -4.831 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -4.388 13.286 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -4.036 11.543 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -4.367 12.320 -3.038 1.00 0.00 H new