USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 975 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 94 THR OG1 : rot -87:sc= -1.7! USER MOD Set 1.2: A 96 TYR OH : rot 135:sc= 0.0855 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= -1.09! C(o=-1.1!,f=-6.6!) USER MOD Set 3.1: A 9 THR OG1 : rot 110:sc= -0.568 USER MOD Set 3.2: A 51 LYS NZ :NH3+ -172:sc= -0.565 (180deg=-0.616) USER MOD Single : A 1 GLU N :NH3+ 134:sc= -0.0501 (180deg=-0.652) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -22:sc= 0.553 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -57:sc= -1.35 USER MOD Single : A 14 THR OG1 : rot -42:sc= 0.274 USER MOD Single : A 17 SER OG : rot -90:sc= -1.16 USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= -1.86! (180deg=-2.9!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 26 SER OG : rot 93:sc= 1.09 USER MOD Single : A 27 ASN : amide:sc= -0.038 K(o=-0.038,f=-1.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -3:sc= 0.704! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.57! C(o=-2.6!,f=-14!) USER MOD Single : A 32 ASN : amide:sc= -4.43! C(o=-4.4!,f=-7.2!) USER MOD Single : A 33 GLN : amide:sc= -0.943 K(o=-0.94,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0658 X(o=-0.066,f=-0.22) USER MOD Single : A 45 ASN : amide:sc= -0.0078 K(o=-0.0078,f=-1.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.546 K(o=-0.55,f=0.024) USER MOD Single : A 69 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.1!) USER MOD Single : A 71 SER OG : rot -160:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -4.3! C(o=-4.3!,f=-20!) USER MOD Single : A 79 ASN : amide:sc= -2.97! C(o=-3!,f=-15!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -4! C(o=-4!,f=-1.7!) USER MOD Single : A 88 MET CE :methyl 173:sc= 0 (180deg=-0.0323) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.628 K(o=-0.63,f=-4.1!) USER MOD Single : A 93 ASN : amide:sc= -2.36! C(o=-2.4!,f=-5.6!) USER MOD Single : A 97 SER OG : rot -131:sc= -1.4 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.017 K(o=-0.017,f=-1.8!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -171:sc= 0.345 (180deg=0.0884) USER MOD Single : A 117 ASN : amide:sc= -0.947 K(o=-0.95,f=-5.1!) USER MOD Single : A 119 LYS NZ :NH3+ -109:sc= -0.567 (180deg=-2.14!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 13:sc= -1.9 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 115.575 15.658 -5.861 1.00 0.00 N ATOM 2 CA GLU A 1 116.757 14.832 -5.484 1.00 0.00 C ATOM 3 C GLU A 1 116.330 13.374 -5.329 1.00 0.00 C ATOM 4 O GLU A 1 115.373 12.931 -5.931 1.00 0.00 O ATOM 5 CB GLU A 1 117.329 15.339 -4.157 1.00 0.00 C ATOM 6 CG GLU A 1 116.285 15.171 -3.051 1.00 0.00 C ATOM 7 CD GLU A 1 116.835 15.732 -1.738 1.00 0.00 C ATOM 8 OE1 GLU A 1 117.483 16.765 -1.784 1.00 0.00 O ATOM 9 OE2 GLU A 1 116.599 15.120 -0.710 1.00 0.00 O ATOM 0 H1 GLU A 1 115.554 16.520 -5.279 1.00 0.00 H new ATOM 0 H2 GLU A 1 115.641 15.920 -6.865 1.00 0.00 H new ATOM 0 H3 GLU A 1 114.705 15.111 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 1 117.517 14.908 -6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 1 118.234 14.786 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 1 117.612 16.388 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 1 115.365 15.689 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 1 116.033 14.117 -2.931 1.00 0.00 H new ATOM 18 N LYS A 2 117.030 12.620 -4.525 1.00 0.00 N ATOM 19 CA LYS A 2 116.661 11.190 -4.329 1.00 0.00 C ATOM 20 C LYS A 2 116.689 10.860 -2.835 1.00 0.00 C ATOM 21 O LYS A 2 117.339 11.525 -2.054 1.00 0.00 O ATOM 22 CB LYS A 2 117.655 10.299 -5.079 1.00 0.00 C ATOM 23 CG LYS A 2 117.554 10.568 -6.583 1.00 0.00 C ATOM 24 CD LYS A 2 116.190 10.099 -7.100 1.00 0.00 C ATOM 25 CE LYS A 2 116.284 9.808 -8.598 1.00 0.00 C ATOM 26 NZ LYS A 2 116.800 8.424 -8.803 1.00 0.00 N ATOM 0 H LYS A 2 117.843 12.934 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 2 115.658 11.012 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.669 10.496 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.446 9.249 -4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 2 117.683 11.632 -6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 2 118.353 10.046 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 2 115.874 9.204 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 2 115.436 10.864 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 2 115.304 9.915 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 2 116.945 10.529 -9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 116.864 8.225 -9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 117.743 8.338 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 116.153 7.743 -8.357 1.00 0.00 H new ATOM 40 N VAL A 3 115.977 9.843 -2.430 1.00 0.00 N ATOM 41 CA VAL A 3 115.951 9.473 -0.984 1.00 0.00 C ATOM 42 C VAL A 3 116.941 8.337 -0.720 1.00 0.00 C ATOM 43 O VAL A 3 116.967 7.348 -1.425 1.00 0.00 O ATOM 44 CB VAL A 3 114.544 9.002 -0.613 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.553 8.417 0.801 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.577 10.184 -0.673 1.00 0.00 C ATOM 0 H VAL A 3 115.411 9.251 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 3 116.227 10.341 -0.385 1.00 0.00 H new ATOM 0 HB VAL A 3 114.222 8.235 -1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.549 8.082 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.239 7.571 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 3 114.877 9.180 1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.574 9.848 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.899 10.953 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.567 10.595 -1.682 1.00 0.00 H new ATOM 56 N LYS A 4 117.756 8.466 0.298 1.00 0.00 N ATOM 57 CA LYS A 4 118.728 7.380 0.596 1.00 0.00 C ATOM 58 C LYS A 4 117.956 6.150 1.070 1.00 0.00 C ATOM 59 O LYS A 4 117.228 6.201 2.041 1.00 0.00 O ATOM 60 CB LYS A 4 119.692 7.828 1.700 1.00 0.00 C ATOM 61 CG LYS A 4 120.460 9.072 1.249 1.00 0.00 C ATOM 62 CD LYS A 4 121.318 8.732 0.028 1.00 0.00 C ATOM 63 CE LYS A 4 122.408 9.792 -0.142 1.00 0.00 C ATOM 64 NZ LYS A 4 123.300 9.410 -1.274 1.00 0.00 N ATOM 0 H LYS A 4 117.788 9.269 0.927 1.00 0.00 H new ATOM 0 HA LYS A 4 119.301 7.145 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.137 8.044 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.390 7.024 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.763 9.873 1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.091 9.436 2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 4 121.769 7.747 0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 4 120.696 8.688 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 4 121.957 10.766 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 4 122.987 9.884 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 124.041 10.130 -1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 123.740 8.489 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 122.742 9.344 -2.149 1.00 0.00 H new ATOM 78 N GLY A 5 118.101 5.049 0.391 1.00 0.00 N ATOM 79 CA GLY A 5 117.366 3.824 0.807 1.00 0.00 C ATOM 80 C GLY A 5 117.687 2.681 -0.151 1.00 0.00 C ATOM 81 O GLY A 5 118.331 2.867 -1.166 1.00 0.00 O ATOM 0 H GLY A 5 118.695 4.944 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.646 3.548 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.293 4.016 0.812 1.00 0.00 H new ATOM 85 N CYS A 6 117.241 1.496 0.163 1.00 0.00 N ATOM 86 CA CYS A 6 117.517 0.333 -0.727 1.00 0.00 C ATOM 87 C CYS A 6 116.204 -0.164 -1.332 1.00 0.00 C ATOM 88 O CYS A 6 115.229 -0.398 -0.635 1.00 0.00 O ATOM 89 CB CYS A 6 118.169 -0.782 0.093 1.00 0.00 C ATOM 90 SG CYS A 6 119.091 -1.889 -1.004 1.00 0.00 S ATOM 0 H CYS A 6 116.697 1.283 0.999 1.00 0.00 H new ATOM 0 HA CYS A 6 118.190 0.631 -1.531 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.838 -0.354 0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.406 -1.343 0.633 1.00 0.00 H new ATOM 95 N ASP A 7 116.171 -0.324 -2.627 1.00 0.00 N ATOM 96 CA ASP A 7 114.925 -0.809 -3.284 1.00 0.00 C ATOM 97 C ASP A 7 115.077 -2.295 -3.620 1.00 0.00 C ATOM 98 O ASP A 7 115.809 -2.667 -4.514 1.00 0.00 O ATOM 99 CB ASP A 7 114.689 -0.016 -4.571 1.00 0.00 C ATOM 100 CG ASP A 7 113.259 -0.253 -5.064 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.674 -1.247 -4.667 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.775 0.563 -5.829 1.00 0.00 O ATOM 0 H ASP A 7 116.952 -0.140 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 7 114.078 -0.672 -2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.851 1.047 -4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.404 -0.322 -5.335 1.00 0.00 H new ATOM 107 N PHE A 8 114.381 -3.146 -2.916 1.00 0.00 N ATOM 108 CA PHE A 8 114.478 -4.606 -3.201 1.00 0.00 C ATOM 109 C PHE A 8 113.425 -4.981 -4.243 1.00 0.00 C ATOM 110 O PHE A 8 113.306 -6.122 -4.642 1.00 0.00 O ATOM 111 CB PHE A 8 114.227 -5.398 -1.916 1.00 0.00 C ATOM 112 CG PHE A 8 115.349 -5.154 -0.934 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.521 -5.916 -1.005 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.213 -4.169 0.052 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.558 -5.692 -0.091 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.250 -3.946 0.966 1.00 0.00 C ATOM 117 CZ PHE A 8 117.423 -4.707 0.894 1.00 0.00 C ATOM 0 H PHE A 8 113.749 -2.893 -2.156 1.00 0.00 H new ATOM 0 HA PHE A 8 115.473 -4.841 -3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.275 -5.101 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.155 -6.462 -2.142 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.625 -6.677 -1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.308 -3.581 0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.462 -6.280 -0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 8 116.145 -3.187 1.727 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.223 -4.534 1.598 1.00 0.00 H new ATOM 127 N THR A 9 112.644 -4.024 -4.665 1.00 0.00 N ATOM 128 CA THR A 9 111.576 -4.314 -5.663 1.00 0.00 C ATOM 129 C THR A 9 111.998 -3.835 -7.055 1.00 0.00 C ATOM 130 O THR A 9 111.409 -4.210 -8.048 1.00 0.00 O ATOM 131 CB THR A 9 110.296 -3.587 -5.245 1.00 0.00 C ATOM 132 OG1 THR A 9 109.999 -3.895 -3.890 1.00 0.00 O ATOM 133 CG2 THR A 9 109.136 -4.031 -6.136 1.00 0.00 C ATOM 0 H THR A 9 112.700 -3.052 -4.361 1.00 0.00 H new ATOM 0 HA THR A 9 111.405 -5.390 -5.700 1.00 0.00 H new ATOM 0 HB THR A 9 110.440 -2.512 -5.352 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.147 -3.101 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.226 -3.511 -5.835 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.363 -3.793 -7.175 1.00 0.00 H new ATOM 0 HG23 THR A 9 108.990 -5.106 -6.034 1.00 0.00 H new ATOM 141 N THR A 10 112.998 -2.999 -7.147 1.00 0.00 N ATOM 142 CA THR A 10 113.416 -2.503 -8.490 1.00 0.00 C ATOM 143 C THR A 10 114.865 -2.015 -8.444 1.00 0.00 C ATOM 144 O THR A 10 115.229 -1.183 -7.637 1.00 0.00 O ATOM 145 CB THR A 10 112.504 -1.347 -8.905 1.00 0.00 C ATOM 146 OG1 THR A 10 111.148 -1.765 -8.830 1.00 0.00 O ATOM 147 CG2 THR A 10 112.831 -0.923 -10.339 1.00 0.00 C ATOM 0 H THR A 10 113.538 -2.641 -6.359 1.00 0.00 H new ATOM 0 HA THR A 10 113.338 -3.316 -9.212 1.00 0.00 H new ATOM 0 HB THR A 10 112.662 -0.502 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.103 -2.742 -8.888 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.180 -0.099 -10.632 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.871 -0.601 -10.395 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.675 -1.766 -11.012 1.00 0.00 H new ATOM 155 N SER A 11 115.696 -2.519 -9.316 1.00 0.00 N ATOM 156 CA SER A 11 117.120 -2.078 -9.325 1.00 0.00 C ATOM 157 C SER A 11 117.180 -0.605 -9.727 1.00 0.00 C ATOM 158 O SER A 11 118.093 0.114 -9.371 1.00 0.00 O ATOM 159 CB SER A 11 117.912 -2.913 -10.335 1.00 0.00 C ATOM 160 OG SER A 11 117.337 -2.756 -11.626 1.00 0.00 O ATOM 0 H SER A 11 115.451 -3.215 -10.020 1.00 0.00 H new ATOM 0 HA SER A 11 117.552 -2.211 -8.333 1.00 0.00 H new ATOM 0 HB2 SER A 11 118.955 -2.597 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.901 -3.963 -10.044 1.00 0.00 H new ATOM 0 HG SER A 11 117.842 -3.288 -12.276 1.00 0.00 H new ATOM 166 N GLU A 12 116.200 -0.151 -10.461 1.00 0.00 N ATOM 167 CA GLU A 12 116.175 1.276 -10.889 1.00 0.00 C ATOM 168 C GLU A 12 114.986 1.971 -10.223 1.00 0.00 C ATOM 169 O GLU A 12 113.982 2.244 -10.851 1.00 0.00 O ATOM 170 CB GLU A 12 116.019 1.348 -12.409 1.00 0.00 C ATOM 171 CG GLU A 12 117.244 0.726 -13.082 1.00 0.00 C ATOM 172 CD GLU A 12 118.488 1.546 -12.732 1.00 0.00 C ATOM 173 OE1 GLU A 12 118.327 2.689 -12.338 1.00 0.00 O ATOM 174 OE2 GLU A 12 119.578 1.014 -12.862 1.00 0.00 O ATOM 0 H GLU A 12 115.411 -0.711 -10.784 1.00 0.00 H new ATOM 0 HA GLU A 12 117.103 1.767 -10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.116 0.821 -12.717 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.906 2.385 -12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.370 -0.305 -12.752 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.105 0.700 -14.163 1.00 0.00 H new ATOM 181 N SER A 13 115.085 2.244 -8.954 1.00 0.00 N ATOM 182 CA SER A 13 113.953 2.905 -8.243 1.00 0.00 C ATOM 183 C SER A 13 113.830 4.362 -8.685 1.00 0.00 C ATOM 184 O SER A 13 114.787 4.985 -9.096 1.00 0.00 O ATOM 185 CB SER A 13 114.203 2.857 -6.736 1.00 0.00 C ATOM 186 OG SER A 13 115.060 3.931 -6.372 1.00 0.00 O ATOM 0 H SER A 13 115.900 2.039 -8.376 1.00 0.00 H new ATOM 0 HA SER A 13 113.029 2.379 -8.484 1.00 0.00 H new ATOM 0 HB2 SER A 13 113.259 2.930 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 13 114.656 1.905 -6.460 1.00 0.00 H new ATOM 0 HG SER A 13 115.893 3.874 -6.886 1.00 0.00 H new ATOM 192 N THR A 14 112.652 4.911 -8.584 1.00 0.00 N ATOM 193 CA THR A 14 112.447 6.331 -8.975 1.00 0.00 C ATOM 194 C THR A 14 112.396 7.180 -7.706 1.00 0.00 C ATOM 195 O THR A 14 112.214 8.380 -7.753 1.00 0.00 O ATOM 196 CB THR A 14 111.125 6.466 -9.736 1.00 0.00 C ATOM 197 OG1 THR A 14 111.025 7.773 -10.285 1.00 0.00 O ATOM 198 CG2 THR A 14 109.955 6.221 -8.780 1.00 0.00 C ATOM 0 H THR A 14 111.817 4.433 -8.245 1.00 0.00 H new ATOM 0 HA THR A 14 113.263 6.665 -9.616 1.00 0.00 H new ATOM 0 HB THR A 14 111.094 5.731 -10.541 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.334 8.429 -9.626 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.015 6.317 -9.323 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.031 5.217 -8.362 1.00 0.00 H new ATOM 0 HG23 THR A 14 109.985 6.953 -7.973 1.00 0.00 H new ATOM 206 N ILE A 15 112.552 6.554 -6.569 1.00 0.00 N ATOM 207 CA ILE A 15 112.510 7.305 -5.282 1.00 0.00 C ATOM 208 C ILE A 15 113.783 7.039 -4.471 1.00 0.00 C ATOM 209 O ILE A 15 114.189 7.849 -3.660 1.00 0.00 O ATOM 210 CB ILE A 15 111.283 6.860 -4.483 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.117 5.343 -4.607 1.00 0.00 C ATOM 212 CG2 ILE A 15 110.032 7.553 -5.030 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.105 4.852 -3.570 1.00 0.00 C ATOM 0 H ILE A 15 112.707 5.550 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 15 112.447 8.373 -5.489 1.00 0.00 H new ATOM 0 HB ILE A 15 111.418 7.130 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.779 5.085 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.077 4.848 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.160 7.234 -4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.147 8.633 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.897 7.286 -6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 15 109.988 3.772 -3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.461 5.097 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.144 5.337 -3.742 1.00 0.00 H new ATOM 225 N PHE A 16 114.413 5.908 -4.669 1.00 0.00 N ATOM 226 CA PHE A 16 115.648 5.599 -3.885 1.00 0.00 C ATOM 227 C PHE A 16 116.884 5.760 -4.775 1.00 0.00 C ATOM 228 O PHE A 16 116.856 5.468 -5.953 1.00 0.00 O ATOM 229 CB PHE A 16 115.585 4.159 -3.364 1.00 0.00 C ATOM 230 CG PHE A 16 114.351 3.982 -2.511 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.273 4.592 -1.252 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.282 3.211 -2.981 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.126 4.429 -0.466 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.136 3.048 -2.195 1.00 0.00 C ATOM 235 CZ PHE A 16 112.056 3.657 -0.937 1.00 0.00 C ATOM 0 H PHE A 16 114.128 5.190 -5.335 1.00 0.00 H new ATOM 0 HA PHE A 16 115.714 6.289 -3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.565 3.460 -4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.478 3.933 -2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.097 5.188 -0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 16 113.342 2.741 -3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 16 113.066 4.899 0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.312 2.452 -2.559 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.171 3.532 -0.331 1.00 0.00 H new ATOM 245 N SER A 17 117.960 6.245 -4.217 1.00 0.00 N ATOM 246 CA SER A 17 119.201 6.455 -5.018 1.00 0.00 C ATOM 247 C SER A 17 119.836 5.112 -5.399 1.00 0.00 C ATOM 248 O SER A 17 120.658 5.043 -6.291 1.00 0.00 O ATOM 249 CB SER A 17 120.202 7.259 -4.188 1.00 0.00 C ATOM 250 OG SER A 17 119.826 8.629 -4.195 1.00 0.00 O ATOM 0 H SER A 17 118.033 6.507 -3.234 1.00 0.00 H new ATOM 0 HA SER A 17 118.941 6.993 -5.930 1.00 0.00 H new ATOM 0 HB2 SER A 17 120.229 6.883 -3.165 1.00 0.00 H new ATOM 0 HB3 SER A 17 121.206 7.144 -4.596 1.00 0.00 H new ATOM 0 HG SER A 17 120.256 9.082 -4.950 1.00 0.00 H new ATOM 256 N LYS A 18 119.486 4.046 -4.729 1.00 0.00 N ATOM 257 CA LYS A 18 120.108 2.732 -5.067 1.00 0.00 C ATOM 258 C LYS A 18 119.095 1.595 -4.909 1.00 0.00 C ATOM 259 O LYS A 18 118.133 1.696 -4.173 1.00 0.00 O ATOM 260 CB LYS A 18 121.295 2.481 -4.133 1.00 0.00 C ATOM 261 CG LYS A 18 122.424 3.460 -4.463 1.00 0.00 C ATOM 262 CD LYS A 18 123.669 3.094 -3.652 1.00 0.00 C ATOM 263 CE LYS A 18 123.447 3.447 -2.180 1.00 0.00 C ATOM 264 NZ LYS A 18 124.754 3.428 -1.465 1.00 0.00 N ATOM 0 H LYS A 18 118.804 4.027 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 18 120.443 2.761 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.986 2.603 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.646 1.455 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 18 122.649 3.427 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.114 4.480 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.881 2.030 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 18 124.537 3.629 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 18 122.988 4.432 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 18 122.760 2.735 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 124.681 3.992 -0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.003 2.448 -1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.491 3.831 -2.078 1.00 0.00 H new ATOM 278 N GLY A 19 119.317 0.501 -5.591 1.00 0.00 N ATOM 279 CA GLY A 19 118.379 -0.653 -5.480 1.00 0.00 C ATOM 280 C GLY A 19 119.090 -1.937 -5.913 1.00 0.00 C ATOM 281 O GLY A 19 120.178 -1.904 -6.455 1.00 0.00 O ATOM 0 H GLY A 19 120.108 0.358 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 19 118.026 -0.750 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.502 -0.483 -6.104 1.00 0.00 H new ATOM 285 N TYR A 20 118.486 -3.072 -5.675 1.00 0.00 N ATOM 286 CA TYR A 20 119.123 -4.364 -6.065 1.00 0.00 C ATOM 287 C TYR A 20 118.248 -5.078 -7.097 1.00 0.00 C ATOM 288 O TYR A 20 117.043 -4.920 -7.118 1.00 0.00 O ATOM 289 CB TYR A 20 119.268 -5.257 -4.831 1.00 0.00 C ATOM 290 CG TYR A 20 120.454 -4.810 -4.010 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.407 -3.599 -3.311 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.598 -5.615 -3.943 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.507 -3.192 -2.545 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.697 -5.205 -3.179 1.00 0.00 C ATOM 295 CZ TYR A 20 122.651 -3.995 -2.478 1.00 0.00 C ATOM 296 OH TYR A 20 123.733 -3.592 -1.723 1.00 0.00 O ATOM 0 H TYR A 20 117.575 -3.159 -5.225 1.00 0.00 H new ATOM 0 HA TYR A 20 120.105 -4.163 -6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.360 -5.211 -4.229 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.396 -6.296 -5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.524 -2.979 -3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.632 -6.551 -4.480 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.472 -2.257 -2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.581 -5.823 -3.131 1.00 0.00 H new ATOM 0 HH TYR A 20 124.443 -4.265 -1.784 1.00 0.00 H new ATOM 306 N SER A 21 118.844 -5.871 -7.946 1.00 0.00 N ATOM 307 CA SER A 21 118.047 -6.606 -8.967 1.00 0.00 C ATOM 308 C SER A 21 117.714 -8.002 -8.432 1.00 0.00 C ATOM 309 O SER A 21 118.398 -8.526 -7.571 1.00 0.00 O ATOM 310 CB SER A 21 118.862 -6.732 -10.255 1.00 0.00 C ATOM 311 OG SER A 21 118.069 -7.356 -11.255 1.00 0.00 O ATOM 0 H SER A 21 119.849 -6.041 -7.976 1.00 0.00 H new ATOM 0 HA SER A 21 117.125 -6.064 -9.176 1.00 0.00 H new ATOM 0 HB2 SER A 21 119.184 -5.747 -10.593 1.00 0.00 H new ATOM 0 HB3 SER A 21 119.763 -7.317 -10.072 1.00 0.00 H new ATOM 0 HG SER A 21 118.589 -7.436 -12.082 1.00 0.00 H new ATOM 317 N ILE A 22 116.672 -8.612 -8.930 1.00 0.00 N ATOM 318 CA ILE A 22 116.306 -9.969 -8.435 1.00 0.00 C ATOM 319 C ILE A 22 117.462 -10.936 -8.691 1.00 0.00 C ATOM 320 O ILE A 22 117.601 -11.941 -8.022 1.00 0.00 O ATOM 321 CB ILE A 22 115.051 -10.462 -9.162 1.00 0.00 C ATOM 322 CG1 ILE A 22 115.302 -10.486 -10.671 1.00 0.00 C ATOM 323 CG2 ILE A 22 113.884 -9.521 -8.858 1.00 0.00 C ATOM 324 CD1 ILE A 22 114.115 -11.150 -11.373 1.00 0.00 C ATOM 0 H ILE A 22 116.062 -8.232 -9.654 1.00 0.00 H new ATOM 0 HA ILE A 22 116.105 -9.921 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 22 114.810 -11.469 -8.820 1.00 0.00 H new ATOM 0 HG12 ILE A 22 115.438 -9.471 -11.044 1.00 0.00 H new ATOM 0 HG13 ILE A 22 116.220 -11.032 -10.890 1.00 0.00 H new ATOM 0 HG21 ILE A 22 112.990 -9.871 -9.375 1.00 0.00 H new ATOM 0 HG22 ILE A 22 113.699 -9.506 -7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 22 114.130 -8.515 -9.198 1.00 0.00 H new ATOM 0 HD11 ILE A 22 114.292 -11.168 -12.448 1.00 0.00 H new ATOM 0 HD12 ILE A 22 114.000 -12.170 -11.007 1.00 0.00 H new ATOM 0 HD13 ILE A 22 113.206 -10.585 -11.164 1.00 0.00 H new ATOM 336 N ASN A 23 118.299 -10.642 -9.650 1.00 0.00 N ATOM 337 CA ASN A 23 119.448 -11.546 -9.938 1.00 0.00 C ATOM 338 C ASN A 23 120.542 -11.334 -8.891 1.00 0.00 C ATOM 339 O ASN A 23 121.033 -12.269 -8.291 1.00 0.00 O ATOM 340 CB ASN A 23 120.007 -11.232 -11.327 1.00 0.00 C ATOM 341 CG ASN A 23 121.211 -12.134 -11.608 1.00 0.00 C ATOM 342 OD1 ASN A 23 121.143 -13.333 -11.419 1.00 0.00 O ATOM 343 ND2 ASN A 23 122.318 -11.606 -12.055 1.00 0.00 N ATOM 0 H ASN A 23 118.236 -9.816 -10.245 1.00 0.00 H new ATOM 0 HA ASN A 23 119.110 -12.582 -9.905 1.00 0.00 H new ATOM 0 HB2 ASN A 23 119.238 -11.387 -12.084 1.00 0.00 H new ATOM 0 HB3 ASN A 23 120.303 -10.184 -11.383 1.00 0.00 H new ATOM 0 HD21 ASN A 23 123.125 -12.199 -12.246 1.00 0.00 H new ATOM 0 HD22 ASN A 23 122.375 -10.600 -12.214 1.00 0.00 H new ATOM 350 N GLU A 24 120.939 -10.110 -8.673 1.00 0.00 N ATOM 351 CA GLU A 24 122.014 -9.836 -7.678 1.00 0.00 C ATOM 352 C GLU A 24 121.680 -10.500 -6.343 1.00 0.00 C ATOM 353 O GLU A 24 122.542 -11.043 -5.682 1.00 0.00 O ATOM 354 CB GLU A 24 122.145 -8.323 -7.474 1.00 0.00 C ATOM 355 CG GLU A 24 122.662 -7.673 -8.760 1.00 0.00 C ATOM 356 CD GLU A 24 124.067 -8.197 -9.070 1.00 0.00 C ATOM 357 OE1 GLU A 24 124.915 -8.111 -8.196 1.00 0.00 O ATOM 358 OE2 GLU A 24 124.267 -8.679 -10.172 1.00 0.00 O ATOM 0 H GLU A 24 120.564 -9.286 -9.143 1.00 0.00 H new ATOM 0 HA GLU A 24 122.954 -10.242 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 24 121.179 -7.898 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 24 122.827 -8.115 -6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 24 121.989 -7.895 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 24 122.683 -6.589 -8.649 1.00 0.00 H new ATOM 365 N ILE A 25 120.443 -10.464 -5.933 1.00 0.00 N ATOM 366 CA ILE A 25 120.078 -11.095 -4.633 1.00 0.00 C ATOM 367 C ILE A 25 119.960 -12.610 -4.808 1.00 0.00 C ATOM 368 O ILE A 25 119.779 -13.343 -3.856 1.00 0.00 O ATOM 369 CB ILE A 25 118.748 -10.521 -4.132 1.00 0.00 C ATOM 370 CG1 ILE A 25 117.653 -10.766 -5.172 1.00 0.00 C ATOM 371 CG2 ILE A 25 118.900 -9.015 -3.902 1.00 0.00 C ATOM 372 CD1 ILE A 25 116.299 -10.347 -4.594 1.00 0.00 C ATOM 0 H ILE A 25 119.672 -10.027 -6.438 1.00 0.00 H new ATOM 0 HA ILE A 25 120.856 -10.881 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 25 118.474 -11.011 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 25 117.864 -10.200 -6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 25 117.631 -11.819 -5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.955 -8.604 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 25 119.677 -8.837 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 25 119.176 -8.530 -4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 25 115.518 -10.521 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 25 116.088 -10.933 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 25 116.325 -9.288 -4.336 1.00 0.00 H new ATOM 384 N SER A 26 120.066 -13.087 -6.017 1.00 0.00 N ATOM 385 CA SER A 26 119.959 -14.554 -6.251 1.00 0.00 C ATOM 386 C SER A 26 121.359 -15.164 -6.323 1.00 0.00 C ATOM 387 O SER A 26 121.745 -15.956 -5.484 1.00 0.00 O ATOM 388 CB SER A 26 119.226 -14.810 -7.570 1.00 0.00 C ATOM 389 OG SER A 26 117.879 -14.370 -7.452 1.00 0.00 O ATOM 0 H SER A 26 120.222 -12.524 -6.853 1.00 0.00 H new ATOM 0 HA SER A 26 119.404 -15.011 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 26 119.723 -14.282 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 26 119.254 -15.872 -7.815 1.00 0.00 H new ATOM 0 HG SER A 26 117.807 -13.447 -7.774 1.00 0.00 H new ATOM 395 N ASN A 27 122.124 -14.804 -7.317 1.00 0.00 N ATOM 396 CA ASN A 27 123.500 -15.366 -7.447 1.00 0.00 C ATOM 397 C ASN A 27 124.524 -14.273 -7.143 1.00 0.00 C ATOM 398 O ASN A 27 125.185 -14.302 -6.130 1.00 0.00 O ATOM 399 CB ASN A 27 123.706 -15.879 -8.874 1.00 0.00 C ATOM 400 CG ASN A 27 122.850 -17.128 -9.097 1.00 0.00 C ATOM 401 OD1 ASN A 27 122.439 -17.773 -8.153 1.00 0.00 O ATOM 402 ND2 ASN A 27 122.563 -17.498 -10.315 1.00 0.00 N ATOM 0 H ASN A 27 121.856 -14.144 -8.047 1.00 0.00 H new ATOM 0 HA ASN A 27 123.628 -16.189 -6.744 1.00 0.00 H new ATOM 0 HB2 ASN A 27 123.434 -15.106 -9.592 1.00 0.00 H new ATOM 0 HB3 ASN A 27 124.758 -16.112 -9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 27 121.993 -18.329 -10.475 1.00 0.00 H new ATOM 0 HD22 ASN A 27 122.908 -16.956 -11.107 1.00 0.00 H new ATOM 409 N LYS A 28 124.657 -13.319 -8.023 1.00 0.00 N ATOM 410 CA LYS A 28 125.648 -12.229 -7.799 1.00 0.00 C ATOM 411 C LYS A 28 125.348 -11.519 -6.480 1.00 0.00 C ATOM 412 O LYS A 28 124.924 -10.382 -6.461 1.00 0.00 O ATOM 413 CB LYS A 28 125.562 -11.223 -8.954 1.00 0.00 C ATOM 414 CG LYS A 28 126.529 -11.633 -10.070 1.00 0.00 C ATOM 415 CD LYS A 28 126.031 -12.922 -10.727 1.00 0.00 C ATOM 416 CE LYS A 28 126.960 -13.299 -11.884 1.00 0.00 C ATOM 417 NZ LYS A 28 126.478 -14.560 -12.517 1.00 0.00 N ATOM 0 H LYS A 28 124.122 -13.247 -8.888 1.00 0.00 H new ATOM 0 HA LYS A 28 126.651 -12.654 -7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 28 124.543 -11.183 -9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 125.807 -10.223 -8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 28 126.602 -10.838 -10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 28 127.529 -11.782 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 28 126.001 -13.728 -9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 28 125.013 -12.786 -11.093 1.00 0.00 H new ATOM 0 HE2 LYS A 28 126.985 -12.496 -12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 28 127.979 -13.429 -11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 127.109 -14.817 -13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 126.476 -15.324 -11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 125.513 -14.420 -12.879 1.00 0.00 H new ATOM 431 N SER A 29 125.560 -12.183 -5.377 1.00 0.00 N ATOM 432 CA SER A 29 125.293 -11.547 -4.055 1.00 0.00 C ATOM 433 C SER A 29 126.613 -11.423 -3.288 1.00 0.00 C ATOM 434 O SER A 29 126.961 -12.269 -2.488 1.00 0.00 O ATOM 435 CB SER A 29 124.319 -12.411 -3.256 1.00 0.00 C ATOM 436 OG SER A 29 123.050 -12.395 -3.893 1.00 0.00 O ATOM 0 H SER A 29 125.907 -13.141 -5.334 1.00 0.00 H new ATOM 0 HA SER A 29 124.856 -10.560 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 29 124.692 -13.433 -3.188 1.00 0.00 H new ATOM 0 HB3 SER A 29 124.232 -12.035 -2.237 1.00 0.00 H new ATOM 0 HG SER A 29 123.079 -11.793 -4.666 1.00 0.00 H new ATOM 442 N SER A 30 127.354 -10.375 -3.529 1.00 0.00 N ATOM 443 CA SER A 30 128.654 -10.201 -2.823 1.00 0.00 C ATOM 444 C SER A 30 128.433 -9.455 -1.505 1.00 0.00 C ATOM 445 O SER A 30 128.828 -8.316 -1.353 1.00 0.00 O ATOM 446 CB SER A 30 129.606 -9.397 -3.711 1.00 0.00 C ATOM 447 OG SER A 30 129.567 -9.919 -5.034 1.00 0.00 O ATOM 0 H SER A 30 127.114 -9.632 -4.185 1.00 0.00 H new ATOM 0 HA SER A 30 129.085 -11.180 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 30 129.319 -8.346 -3.714 1.00 0.00 H new ATOM 0 HB3 SER A 30 130.621 -9.449 -3.317 1.00 0.00 H new ATOM 0 HG SER A 30 130.174 -9.405 -5.606 1.00 0.00 H new ATOM 453 N ASN A 31 127.809 -10.091 -0.551 1.00 0.00 N ATOM 454 CA ASN A 31 127.569 -9.423 0.760 1.00 0.00 C ATOM 455 C ASN A 31 127.476 -10.477 1.866 1.00 0.00 C ATOM 456 O ASN A 31 128.139 -10.385 2.878 1.00 0.00 O ATOM 457 CB ASN A 31 126.263 -8.630 0.698 1.00 0.00 C ATOM 458 CG ASN A 31 125.171 -9.492 0.063 1.00 0.00 C ATOM 459 OD1 ASN A 31 125.407 -10.630 -0.291 1.00 0.00 O ATOM 460 ND2 ASN A 31 123.977 -8.993 -0.101 1.00 0.00 N ATOM 0 H ASN A 31 127.455 -11.045 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 31 128.395 -8.746 0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 31 125.963 -8.325 1.700 1.00 0.00 H new ATOM 0 HB3 ASN A 31 126.406 -7.719 0.117 1.00 0.00 H new ATOM 0 HD21 ASN A 31 123.242 -9.558 -0.526 1.00 0.00 H new ATOM 0 HD22 ASN A 31 123.778 -8.038 0.196 1.00 0.00 H new ATOM 467 N ASN A 32 126.657 -11.475 1.680 1.00 0.00 N ATOM 468 CA ASN A 32 126.525 -12.537 2.719 1.00 0.00 C ATOM 469 C ASN A 32 125.790 -13.742 2.131 1.00 0.00 C ATOM 470 O ASN A 32 125.352 -13.722 0.998 1.00 0.00 O ATOM 471 CB ASN A 32 125.733 -11.986 3.908 1.00 0.00 C ATOM 472 CG ASN A 32 126.653 -11.138 4.789 1.00 0.00 C ATOM 473 OD1 ASN A 32 127.831 -11.415 4.899 1.00 0.00 O ATOM 474 ND2 ASN A 32 126.163 -10.108 5.423 1.00 0.00 N ATOM 0 H ASN A 32 126.073 -11.602 0.853 1.00 0.00 H new ATOM 0 HA ASN A 32 127.516 -12.846 3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 32 124.896 -11.384 3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 32 125.312 -12.806 4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 32 126.769 -9.535 6.011 1.00 0.00 H new ATOM 0 HD22 ASN A 32 125.174 -9.875 5.331 1.00 0.00 H new ATOM 481 N GLN A 33 125.648 -14.794 2.892 1.00 0.00 N ATOM 482 CA GLN A 33 124.937 -15.996 2.372 1.00 0.00 C ATOM 483 C GLN A 33 123.499 -15.619 2.005 1.00 0.00 C ATOM 484 O GLN A 33 123.259 -14.659 1.299 1.00 0.00 O ATOM 485 CB GLN A 33 124.924 -17.086 3.447 1.00 0.00 C ATOM 486 CG GLN A 33 124.396 -16.506 4.763 1.00 0.00 C ATOM 487 CD GLN A 33 124.479 -17.571 5.858 1.00 0.00 C ATOM 488 OE1 GLN A 33 124.633 -17.253 7.021 1.00 0.00 O ATOM 489 NE2 GLN A 33 124.380 -18.833 5.535 1.00 0.00 N ATOM 0 H GLN A 33 125.993 -14.872 3.849 1.00 0.00 H new ATOM 0 HA GLN A 33 125.451 -16.368 1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 33 124.297 -17.918 3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 33 125.930 -17.481 3.590 1.00 0.00 H new ATOM 0 HG2 GLN A 33 124.980 -15.630 5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 33 123.365 -16.175 4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 33 124.251 -19.101 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 33 124.432 -19.550 6.258 1.00 0.00 H new ATOM 498 N GLN A 34 122.535 -16.364 2.479 1.00 0.00 N ATOM 499 CA GLN A 34 121.116 -16.038 2.159 1.00 0.00 C ATOM 500 C GLN A 34 120.710 -14.767 2.907 1.00 0.00 C ATOM 501 O GLN A 34 119.627 -14.678 3.457 1.00 0.00 O ATOM 502 CB GLN A 34 120.219 -17.197 2.600 1.00 0.00 C ATOM 503 CG GLN A 34 120.409 -17.459 4.097 1.00 0.00 C ATOM 504 CD GLN A 34 119.530 -18.637 4.522 1.00 0.00 C ATOM 505 OE1 GLN A 34 119.033 -19.371 3.690 1.00 0.00 O ATOM 506 NE2 GLN A 34 119.317 -18.853 5.792 1.00 0.00 N ATOM 0 H GLN A 34 122.670 -17.182 3.073 1.00 0.00 H new ATOM 0 HA GLN A 34 121.007 -15.881 1.086 1.00 0.00 H new ATOM 0 HB2 GLN A 34 119.175 -16.961 2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 34 120.462 -18.094 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 34 121.456 -17.677 4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 34 120.146 -16.569 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 34 119.734 -18.238 6.491 1.00 0.00 H new ATOM 0 HE22 GLN A 34 118.734 -19.637 6.085 1.00 0.00 H new ATOM 515 N ASP A 35 121.565 -13.780 2.924 1.00 0.00 N ATOM 516 CA ASP A 35 121.235 -12.517 3.640 1.00 0.00 C ATOM 517 C ASP A 35 121.647 -11.318 2.785 1.00 0.00 C ATOM 518 O ASP A 35 122.813 -11.115 2.509 1.00 0.00 O ATOM 519 CB ASP A 35 122.004 -12.475 4.964 1.00 0.00 C ATOM 520 CG ASP A 35 121.608 -13.674 5.830 1.00 0.00 C ATOM 521 OD1 ASP A 35 120.657 -14.347 5.477 1.00 0.00 O ATOM 522 OD2 ASP A 35 122.269 -13.901 6.830 1.00 0.00 O ATOM 0 H ASP A 35 122.479 -13.795 2.472 1.00 0.00 H new ATOM 0 HA ASP A 35 120.162 -12.477 3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 35 123.077 -12.491 4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 35 121.788 -11.546 5.492 1.00 0.00 H new ATOM 527 N ILE A 36 120.705 -10.517 2.371 1.00 0.00 N ATOM 528 CA ILE A 36 121.056 -9.326 1.548 1.00 0.00 C ATOM 529 C ILE A 36 121.114 -8.100 2.459 1.00 0.00 C ATOM 530 O ILE A 36 120.151 -7.762 3.115 1.00 0.00 O ATOM 531 CB ILE A 36 119.999 -9.109 0.465 1.00 0.00 C ATOM 532 CG1 ILE A 36 119.805 -10.408 -0.325 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.458 -8.000 -0.482 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.152 -10.888 -0.871 1.00 0.00 C ATOM 0 H ILE A 36 119.711 -10.635 2.566 1.00 0.00 H new ATOM 0 HA ILE A 36 122.023 -9.483 1.070 1.00 0.00 H new ATOM 0 HB ILE A 36 119.056 -8.821 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.369 -11.173 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.107 -10.245 -1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 36 119.704 -7.846 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.597 -7.076 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.401 -8.286 -0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.009 -11.812 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 36 121.571 -10.126 -1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 36 121.837 -11.069 -0.043 1.00 0.00 H new ATOM 546 N VAL A 37 122.237 -7.437 2.517 1.00 0.00 N ATOM 547 CA VAL A 37 122.346 -6.243 3.404 1.00 0.00 C ATOM 548 C VAL A 37 122.612 -4.990 2.571 1.00 0.00 C ATOM 549 O VAL A 37 123.540 -4.939 1.786 1.00 0.00 O ATOM 550 CB VAL A 37 123.499 -6.444 4.386 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.786 -5.128 5.114 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.120 -7.518 5.408 1.00 0.00 C ATOM 0 H VAL A 37 123.080 -7.669 1.992 1.00 0.00 H new ATOM 0 HA VAL A 37 121.410 -6.120 3.948 1.00 0.00 H new ATOM 0 HB VAL A 37 124.388 -6.760 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.609 -5.272 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.058 -4.362 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.896 -4.812 5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 37 123.943 -7.661 6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.230 -7.203 5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 37 122.916 -8.456 4.892 1.00 0.00 H new ATOM 562 N CYS A 38 121.823 -3.968 2.762 1.00 0.00 N ATOM 563 CA CYS A 38 122.051 -2.706 2.009 1.00 0.00 C ATOM 564 C CYS A 38 122.729 -1.703 2.939 1.00 0.00 C ATOM 565 O CYS A 38 122.092 -1.081 3.767 1.00 0.00 O ATOM 566 CB CYS A 38 120.710 -2.130 1.543 1.00 0.00 C ATOM 567 SG CYS A 38 120.007 -3.184 0.250 1.00 0.00 S ATOM 0 H CYS A 38 121.032 -3.954 3.406 1.00 0.00 H new ATOM 0 HA CYS A 38 122.678 -2.904 1.139 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.021 -2.062 2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.851 -1.118 1.164 1.00 0.00 H new ATOM 572 N THR A 39 124.017 -1.541 2.822 1.00 0.00 N ATOM 573 CA THR A 39 124.728 -0.580 3.713 1.00 0.00 C ATOM 574 C THR A 39 124.850 0.774 3.015 1.00 0.00 C ATOM 575 O THR A 39 125.449 0.893 1.963 1.00 0.00 O ATOM 576 CB THR A 39 126.124 -1.119 4.033 1.00 0.00 C ATOM 577 OG1 THR A 39 126.005 -2.334 4.760 1.00 0.00 O ATOM 578 CG2 THR A 39 126.889 -0.093 4.872 1.00 0.00 C ATOM 0 H THR A 39 124.608 -2.031 2.150 1.00 0.00 H new ATOM 0 HA THR A 39 124.164 -0.459 4.638 1.00 0.00 H new ATOM 0 HB THR A 39 126.665 -1.302 3.105 1.00 0.00 H new ATOM 0 HG1 THR A 39 126.898 -2.682 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.883 -0.478 5.100 1.00 0.00 H new ATOM 0 HG22 THR A 39 126.979 0.839 4.314 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.350 0.092 5.801 1.00 0.00 H new ATOM 586 N VAL A 40 124.300 1.801 3.603 1.00 0.00 N ATOM 587 CA VAL A 40 124.390 3.154 2.986 1.00 0.00 C ATOM 588 C VAL A 40 124.599 4.194 4.086 1.00 0.00 C ATOM 589 O VAL A 40 124.248 3.977 5.230 1.00 0.00 O ATOM 590 CB VAL A 40 123.094 3.459 2.229 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.937 2.477 1.065 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.901 3.313 3.177 1.00 0.00 C ATOM 0 H VAL A 40 123.791 1.761 4.486 1.00 0.00 H new ATOM 0 HA VAL A 40 125.228 3.185 2.290 1.00 0.00 H new ATOM 0 HB VAL A 40 123.133 4.478 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 40 122.014 2.695 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.785 2.578 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.900 1.458 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 40 120.979 3.530 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.865 2.294 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.009 4.011 4.007 1.00 0.00 H new ATOM 602 N LYS A 41 125.163 5.324 3.755 1.00 0.00 N ATOM 603 CA LYS A 41 125.383 6.374 4.791 1.00 0.00 C ATOM 604 C LYS A 41 124.260 7.408 4.714 1.00 0.00 C ATOM 605 O LYS A 41 123.893 7.867 3.649 1.00 0.00 O ATOM 606 CB LYS A 41 126.728 7.058 4.548 1.00 0.00 C ATOM 607 CG LYS A 41 127.859 6.063 4.812 1.00 0.00 C ATOM 608 CD LYS A 41 129.205 6.740 4.550 1.00 0.00 C ATOM 609 CE LYS A 41 130.337 5.744 4.808 1.00 0.00 C ATOM 610 NZ LYS A 41 131.646 6.398 4.532 1.00 0.00 N ATOM 0 H LYS A 41 125.480 5.565 2.816 1.00 0.00 H new ATOM 0 HA LYS A 41 125.385 5.915 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.782 7.424 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.831 7.924 5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 41 127.813 5.708 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.747 5.190 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 41 129.249 7.099 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 41 129.318 7.610 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 41 130.302 5.397 5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 41 130.216 4.867 4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 132.416 5.721 4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 131.677 6.708 3.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 131.761 7.222 5.156 1.00 0.00 H new ATOM 624 N ALA A 42 123.704 7.780 5.835 1.00 0.00 N ATOM 625 CA ALA A 42 122.599 8.779 5.826 1.00 0.00 C ATOM 626 C ALA A 42 123.140 10.147 6.242 1.00 0.00 C ATOM 627 O ALA A 42 124.090 10.245 6.993 1.00 0.00 O ATOM 628 CB ALA A 42 121.512 8.340 6.808 1.00 0.00 C ATOM 0 H ALA A 42 123.968 7.434 6.758 1.00 0.00 H new ATOM 0 HA ALA A 42 122.179 8.848 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.702 9.069 6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.125 7.366 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 42 121.934 8.272 7.811 1.00 0.00 H new ATOM 634 N HIS A 43 122.547 11.205 5.753 1.00 0.00 N ATOM 635 CA HIS A 43 123.033 12.569 6.116 1.00 0.00 C ATOM 636 C HIS A 43 121.907 13.348 6.807 1.00 0.00 C ATOM 637 O HIS A 43 120.738 13.098 6.587 1.00 0.00 O ATOM 638 CB HIS A 43 123.464 13.308 4.849 1.00 0.00 C ATOM 639 CG HIS A 43 124.416 14.413 5.213 1.00 0.00 C ATOM 640 ND1 HIS A 43 125.607 14.172 5.885 1.00 0.00 N ATOM 641 CD2 HIS A 43 124.370 15.769 5.004 1.00 0.00 C ATOM 642 CE1 HIS A 43 126.224 15.356 6.054 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.513 16.357 5.536 1.00 0.00 N ATOM 0 H HIS A 43 121.748 11.183 5.119 1.00 0.00 H new ATOM 0 HA HIS A 43 123.882 12.484 6.794 1.00 0.00 H new ATOM 0 HB2 HIS A 43 123.942 12.616 4.156 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.592 13.718 4.340 1.00 0.00 H new ATOM 0 HD2 HIS A 43 123.571 16.297 4.505 1.00 0.00 H new ATOM 0 HE1 HIS A 43 127.177 15.480 6.548 1.00 0.00 H new ATOM 0 HE2 HIS A 43 125.756 17.348 5.531 1.00 0.00 H new ATOM 652 N ALA A 44 122.254 14.279 7.652 1.00 0.00 N ATOM 653 CA ALA A 44 121.214 15.065 8.375 1.00 0.00 C ATOM 654 C ALA A 44 120.258 15.712 7.371 1.00 0.00 C ATOM 655 O ALA A 44 119.119 15.999 7.681 1.00 0.00 O ATOM 656 CB ALA A 44 121.892 16.157 9.204 1.00 0.00 C ATOM 0 H ALA A 44 123.217 14.531 7.874 1.00 0.00 H new ATOM 0 HA ALA A 44 120.651 14.400 9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.135 16.734 9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.570 15.699 9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.456 16.817 8.545 1.00 0.00 H new ATOM 662 N ASN A 45 120.709 15.947 6.171 1.00 0.00 N ATOM 663 CA ASN A 45 119.822 16.583 5.154 1.00 0.00 C ATOM 664 C ASN A 45 119.255 15.511 4.221 1.00 0.00 C ATOM 665 O ASN A 45 118.246 15.709 3.576 1.00 0.00 O ATOM 666 CB ASN A 45 120.636 17.588 4.332 1.00 0.00 C ATOM 667 CG ASN A 45 121.062 18.757 5.224 1.00 0.00 C ATOM 668 OD1 ASN A 45 120.465 18.998 6.254 1.00 0.00 O ATOM 669 ND2 ASN A 45 122.076 19.496 4.868 1.00 0.00 N ATOM 0 H ASN A 45 121.652 15.727 5.849 1.00 0.00 H new ATOM 0 HA ASN A 45 119.002 17.094 5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.515 17.101 3.910 1.00 0.00 H new ATOM 0 HB3 ASN A 45 120.042 17.954 3.495 1.00 0.00 H new ATOM 0 HD21 ASN A 45 122.369 20.277 5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 45 122.576 19.293 4.003 1.00 0.00 H new ATOM 676 N ASP A 46 119.906 14.382 4.140 1.00 0.00 N ATOM 677 CA ASP A 46 119.416 13.301 3.242 1.00 0.00 C ATOM 678 C ASP A 46 118.237 12.574 3.893 1.00 0.00 C ATOM 679 O ASP A 46 118.253 12.278 5.071 1.00 0.00 O ATOM 680 CB ASP A 46 120.549 12.303 2.995 1.00 0.00 C ATOM 681 CG ASP A 46 121.519 12.870 1.958 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.216 13.910 1.398 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.552 12.256 1.744 1.00 0.00 O ATOM 0 H ASP A 46 120.757 14.163 4.658 1.00 0.00 H new ATOM 0 HA ASP A 46 119.090 13.738 2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.076 12.099 3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.141 11.355 2.645 1.00 0.00 H new ATOM 688 N LEU A 47 117.220 12.269 3.131 1.00 0.00 N ATOM 689 CA LEU A 47 116.053 11.544 3.706 1.00 0.00 C ATOM 690 C LEU A 47 116.402 10.059 3.812 1.00 0.00 C ATOM 691 O LEU A 47 117.162 9.536 3.018 1.00 0.00 O ATOM 692 CB LEU A 47 114.833 11.715 2.795 1.00 0.00 C ATOM 693 CG LEU A 47 114.454 13.194 2.706 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.335 13.370 1.676 1.00 0.00 C ATOM 695 CD2 LEU A 47 113.965 13.684 4.071 1.00 0.00 C ATOM 0 H LEU A 47 117.148 12.491 2.138 1.00 0.00 H new ATOM 0 HA LEU A 47 115.820 11.947 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.053 11.326 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 47 113.994 11.138 3.184 1.00 0.00 H new ATOM 0 HG LEU A 47 115.327 13.773 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.063 14.423 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.679 13.023 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.465 12.789 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 47 113.696 14.738 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.093 13.105 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 47 114.758 13.558 4.808 1.00 0.00 H new ATOM 707 N ILE A 48 115.864 9.369 4.782 1.00 0.00 N ATOM 708 CA ILE A 48 116.180 7.916 4.922 1.00 0.00 C ATOM 709 C ILE A 48 114.897 7.083 4.823 1.00 0.00 C ATOM 710 O ILE A 48 113.855 7.461 5.317 1.00 0.00 O ATOM 711 CB ILE A 48 116.838 7.672 6.283 1.00 0.00 C ATOM 712 CG1 ILE A 48 115.914 8.171 7.397 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.168 8.420 6.353 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.487 7.770 8.758 1.00 0.00 C ATOM 0 H ILE A 48 115.223 9.745 5.480 1.00 0.00 H new ATOM 0 HA ILE A 48 116.858 7.620 4.122 1.00 0.00 H new ATOM 0 HB ILE A 48 117.016 6.604 6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 48 115.811 9.255 7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.917 7.749 7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.634 8.244 7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.829 8.062 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 48 117.992 9.488 6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.828 8.126 9.550 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.567 6.684 8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.475 8.213 8.882 1.00 0.00 H new ATOM 726 N GLY A 49 114.976 5.947 4.184 1.00 0.00 N ATOM 727 CA GLY A 49 113.773 5.076 4.051 1.00 0.00 C ATOM 728 C GLY A 49 114.121 3.856 3.192 1.00 0.00 C ATOM 729 O GLY A 49 115.244 3.695 2.761 1.00 0.00 O ATOM 0 H GLY A 49 115.823 5.584 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.431 4.756 5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.955 5.634 3.595 1.00 0.00 H new ATOM 733 N PHE A 50 113.172 2.996 2.940 1.00 0.00 N ATOM 734 CA PHE A 50 113.463 1.793 2.106 1.00 0.00 C ATOM 735 C PHE A 50 112.150 1.167 1.625 1.00 0.00 C ATOM 736 O PHE A 50 111.077 1.534 2.066 1.00 0.00 O ATOM 737 CB PHE A 50 114.253 0.773 2.925 1.00 0.00 C ATOM 738 CG PHE A 50 113.417 0.298 4.089 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.453 0.991 5.305 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.609 -0.836 3.953 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.680 0.548 6.385 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.837 -1.279 5.032 1.00 0.00 C ATOM 743 CZ PHE A 50 111.872 -0.587 6.248 1.00 0.00 C ATOM 0 H PHE A 50 112.211 3.073 3.274 1.00 0.00 H new ATOM 0 HA PHE A 50 114.056 2.092 1.241 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.534 -0.073 2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.178 1.221 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 50 114.077 1.867 5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.581 -1.370 3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.707 1.082 7.324 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.214 -2.155 4.927 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.275 -0.929 7.081 1.00 0.00 H new ATOM 753 N LYS A 51 112.228 0.225 0.723 1.00 0.00 N ATOM 754 CA LYS A 51 110.984 -0.422 0.210 1.00 0.00 C ATOM 755 C LYS A 51 111.244 -1.906 -0.055 1.00 0.00 C ATOM 756 O LYS A 51 112.305 -2.294 -0.514 1.00 0.00 O ATOM 757 CB LYS A 51 110.557 0.267 -1.086 1.00 0.00 C ATOM 758 CG LYS A 51 109.311 -0.420 -1.649 1.00 0.00 C ATOM 759 CD LYS A 51 108.850 0.314 -2.910 1.00 0.00 C ATOM 760 CE LYS A 51 107.592 -0.359 -3.464 1.00 0.00 C ATOM 761 NZ LYS A 51 107.932 -1.729 -3.943 1.00 0.00 N ATOM 0 H LYS A 51 113.097 -0.124 0.320 1.00 0.00 H new ATOM 0 HA LYS A 51 110.191 -0.328 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.350 1.320 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.367 0.227 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.531 -1.462 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.515 -0.421 -0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.644 1.359 -2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.641 0.302 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 51 106.825 -0.412 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 51 107.180 0.232 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 107.114 -2.136 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 108.743 -1.678 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 108.176 -2.330 -3.130 1.00 0.00 H new ATOM 775 N CYS A 52 110.277 -2.740 0.218 1.00 0.00 N ATOM 776 CA CYS A 52 110.438 -4.203 -0.021 1.00 0.00 C ATOM 777 C CYS A 52 109.320 -4.661 -0.965 1.00 0.00 C ATOM 778 O CYS A 52 108.253 -4.082 -0.982 1.00 0.00 O ATOM 779 CB CYS A 52 110.314 -4.944 1.317 1.00 0.00 C ATOM 780 SG CYS A 52 111.673 -4.462 2.414 1.00 0.00 S ATOM 0 H CYS A 52 109.372 -2.466 0.601 1.00 0.00 H new ATOM 0 HA CYS A 52 111.412 -4.415 -0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.357 -4.712 1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.334 -6.021 1.150 1.00 0.00 H new ATOM 785 N PRO A 53 109.547 -5.692 -1.741 1.00 0.00 N ATOM 786 CA PRO A 53 108.522 -6.215 -2.693 1.00 0.00 C ATOM 787 C PRO A 53 107.175 -6.467 -2.002 1.00 0.00 C ATOM 788 O PRO A 53 107.117 -6.836 -0.848 1.00 0.00 O ATOM 789 CB PRO A 53 109.124 -7.528 -3.219 1.00 0.00 C ATOM 790 CG PRO A 53 110.316 -7.812 -2.359 1.00 0.00 C ATOM 791 CD PRO A 53 110.787 -6.469 -1.810 1.00 0.00 C ATOM 0 HA PRO A 53 108.308 -5.502 -3.489 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.399 -8.340 -3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.412 -7.433 -4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.056 -8.492 -1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.105 -8.293 -2.937 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.253 -6.574 -0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.522 -6.000 -2.464 1.00 0.00 H new ATOM 799 N SER A 54 106.095 -6.252 -2.704 1.00 0.00 N ATOM 800 CA SER A 54 104.746 -6.454 -2.100 1.00 0.00 C ATOM 801 C SER A 54 104.498 -7.939 -1.818 1.00 0.00 C ATOM 802 O SER A 54 103.576 -8.296 -1.110 1.00 0.00 O ATOM 803 CB SER A 54 103.681 -5.937 -3.065 1.00 0.00 C ATOM 804 OG SER A 54 102.400 -6.069 -2.466 1.00 0.00 O ATOM 0 H SER A 54 106.089 -5.943 -3.676 1.00 0.00 H new ATOM 0 HA SER A 54 104.696 -5.907 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.874 -4.893 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 54 103.718 -6.497 -3.999 1.00 0.00 H new ATOM 0 HG SER A 54 101.715 -5.736 -3.083 1.00 0.00 H new ATOM 810 N ASN A 55 105.292 -8.811 -2.373 1.00 0.00 N ATOM 811 CA ASN A 55 105.072 -10.267 -2.136 1.00 0.00 C ATOM 812 C ASN A 55 105.864 -10.726 -0.905 1.00 0.00 C ATOM 813 O ASN A 55 105.843 -11.882 -0.546 1.00 0.00 O ATOM 814 CB ASN A 55 105.551 -11.056 -3.359 1.00 0.00 C ATOM 815 CG ASN A 55 104.716 -10.666 -4.578 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.502 -10.718 -4.541 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.318 -10.273 -5.667 1.00 0.00 N ATOM 0 H ASN A 55 106.081 -8.581 -2.978 1.00 0.00 H new ATOM 0 HA ASN A 55 104.010 -10.443 -1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.605 -10.851 -3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.462 -12.126 -3.172 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.770 -10.010 -6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.337 -10.229 -5.699 1.00 0.00 H new ATOM 824 N TYR A 56 106.555 -9.828 -0.254 1.00 0.00 N ATOM 825 CA TYR A 56 107.342 -10.214 0.953 1.00 0.00 C ATOM 826 C TYR A 56 106.714 -9.604 2.209 1.00 0.00 C ATOM 827 O TYR A 56 105.878 -8.726 2.135 1.00 0.00 O ATOM 828 CB TYR A 56 108.777 -9.723 0.794 1.00 0.00 C ATOM 829 CG TYR A 56 109.549 -10.697 -0.066 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.253 -10.824 -1.428 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.571 -11.468 0.503 1.00 0.00 C ATOM 832 CE1 TYR A 56 109.975 -11.724 -2.220 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.293 -12.367 -0.289 1.00 0.00 C ATOM 834 CZ TYR A 56 110.996 -12.495 -1.652 1.00 0.00 C ATOM 835 OH TYR A 56 111.706 -13.382 -2.433 1.00 0.00 O ATOM 0 H TYR A 56 106.608 -8.841 -0.507 1.00 0.00 H new ATOM 0 HA TYR A 56 107.338 -11.299 1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.786 -8.733 0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.251 -9.629 1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.467 -10.227 -1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.801 -11.368 1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.744 -11.824 -3.270 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.080 -12.963 0.150 1.00 0.00 H new ATOM 0 HH TYR A 56 112.378 -13.836 -1.883 1.00 0.00 H new ATOM 845 N SER A 57 107.123 -10.060 3.365 1.00 0.00 N ATOM 846 CA SER A 57 106.561 -9.503 4.630 1.00 0.00 C ATOM 847 C SER A 57 107.582 -8.554 5.263 1.00 0.00 C ATOM 848 O SER A 57 108.769 -8.815 5.260 1.00 0.00 O ATOM 849 CB SER A 57 106.263 -10.648 5.600 1.00 0.00 C ATOM 850 OG SER A 57 105.314 -11.527 5.009 1.00 0.00 O ATOM 0 H SER A 57 107.821 -10.793 3.487 1.00 0.00 H new ATOM 0 HA SER A 57 105.641 -8.959 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 57 107.180 -11.189 5.836 1.00 0.00 H new ATOM 0 HB3 SER A 57 105.875 -10.253 6.539 1.00 0.00 H new ATOM 0 HG SER A 57 105.121 -12.263 5.626 1.00 0.00 H new ATOM 856 N VAL A 58 107.138 -7.449 5.803 1.00 0.00 N ATOM 857 CA VAL A 58 108.099 -6.493 6.421 1.00 0.00 C ATOM 858 C VAL A 58 108.159 -6.705 7.940 1.00 0.00 C ATOM 859 O VAL A 58 107.177 -6.570 8.640 1.00 0.00 O ATOM 860 CB VAL A 58 107.663 -5.056 6.119 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.235 -4.949 4.656 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.490 -4.669 7.022 1.00 0.00 C ATOM 0 H VAL A 58 106.158 -7.170 5.842 1.00 0.00 H new ATOM 0 HA VAL A 58 109.089 -6.669 6.001 1.00 0.00 H new ATOM 0 HB VAL A 58 108.499 -4.381 6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 58 106.925 -3.926 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.072 -5.217 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.402 -5.627 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.184 -3.646 6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.654 -5.344 6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.795 -4.741 8.066 1.00 0.00 H new ATOM 872 N GLU A 59 109.322 -7.020 8.440 1.00 0.00 N ATOM 873 CA GLU A 59 109.493 -7.233 9.906 1.00 0.00 C ATOM 874 C GLU A 59 110.647 -6.349 10.382 1.00 0.00 C ATOM 875 O GLU A 59 111.728 -6.402 9.830 1.00 0.00 O ATOM 876 CB GLU A 59 109.846 -8.702 10.177 1.00 0.00 C ATOM 877 CG GLU A 59 108.577 -9.559 10.167 1.00 0.00 C ATOM 878 CD GLU A 59 107.814 -9.336 8.861 1.00 0.00 C ATOM 879 OE1 GLU A 59 108.394 -9.567 7.813 1.00 0.00 O ATOM 880 OE2 GLU A 59 106.662 -8.941 8.932 1.00 0.00 O ATOM 0 H GLU A 59 110.172 -7.140 7.889 1.00 0.00 H new ATOM 0 HA GLU A 59 108.571 -6.983 10.431 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.543 -9.062 9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.347 -8.792 11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.837 -10.612 10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.945 -9.300 11.017 1.00 0.00 H new ATOM 887 N PRO A 60 110.437 -5.536 11.386 1.00 0.00 N ATOM 888 CA PRO A 60 111.503 -4.637 11.900 1.00 0.00 C ATOM 889 C PRO A 60 112.510 -5.378 12.781 1.00 0.00 C ATOM 890 O PRO A 60 112.184 -5.838 13.855 1.00 0.00 O ATOM 891 CB PRO A 60 110.730 -3.612 12.726 1.00 0.00 C ATOM 892 CG PRO A 60 109.526 -4.343 13.216 1.00 0.00 C ATOM 893 CD PRO A 60 109.180 -5.376 12.141 1.00 0.00 C ATOM 0 HA PRO A 60 112.093 -4.200 11.094 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.331 -3.239 13.556 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.450 -2.749 12.122 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.728 -4.829 14.170 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.694 -3.657 13.377 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.856 -6.319 12.582 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.370 -5.029 11.500 1.00 0.00 H new ATOM 901 N HIS A 61 113.733 -5.486 12.343 1.00 0.00 N ATOM 902 CA HIS A 61 114.755 -6.182 13.168 1.00 0.00 C ATOM 903 C HIS A 61 115.475 -5.133 14.015 1.00 0.00 C ATOM 904 O HIS A 61 116.007 -5.417 15.070 1.00 0.00 O ATOM 905 CB HIS A 61 115.756 -6.896 12.260 1.00 0.00 C ATOM 906 CG HIS A 61 116.430 -8.001 13.026 1.00 0.00 C ATOM 907 ND1 HIS A 61 116.347 -9.330 12.633 1.00 0.00 N ATOM 908 CD2 HIS A 61 117.200 -7.996 14.165 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.047 -10.061 13.519 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.585 -9.295 14.469 1.00 0.00 N ATOM 0 H HIS A 61 114.067 -5.123 11.451 1.00 0.00 H new ATOM 0 HA HIS A 61 114.282 -6.924 13.810 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.245 -7.303 11.387 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.499 -6.188 11.893 1.00 0.00 H new ATOM 0 HD2 HIS A 61 117.464 -7.118 14.735 1.00 0.00 H new ATOM 0 HE1 HIS A 61 117.159 -11.134 13.468 1.00 0.00 H new ATOM 0 HE2 HIS A 61 118.159 -9.600 15.255 1.00 0.00 H new ATOM 919 N ASP A 62 115.477 -3.912 13.556 1.00 0.00 N ATOM 920 CA ASP A 62 116.135 -2.813 14.310 1.00 0.00 C ATOM 921 C ASP A 62 115.732 -1.482 13.670 1.00 0.00 C ATOM 922 O ASP A 62 116.512 -0.559 13.586 1.00 0.00 O ATOM 923 CB ASP A 62 117.656 -2.983 14.250 1.00 0.00 C ATOM 924 CG ASP A 62 118.323 -1.904 15.105 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.616 -1.031 15.580 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.530 -1.971 15.272 1.00 0.00 O ATOM 0 H ASP A 62 115.044 -3.627 12.678 1.00 0.00 H new ATOM 0 HA ASP A 62 115.824 -2.834 15.355 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.937 -3.973 14.610 1.00 0.00 H new ATOM 0 HB3 ASP A 62 118.001 -2.910 13.219 1.00 0.00 H new ATOM 931 N CYS A 63 114.511 -1.389 13.210 1.00 0.00 N ATOM 932 CA CYS A 63 114.038 -0.132 12.561 1.00 0.00 C ATOM 933 C CYS A 63 114.147 1.035 13.545 1.00 0.00 C ATOM 934 O CYS A 63 114.951 1.009 14.457 1.00 0.00 O ATOM 935 CB CYS A 63 112.585 -0.309 12.114 1.00 0.00 C ATOM 936 SG CYS A 63 112.509 -1.538 10.785 1.00 0.00 S ATOM 0 H CYS A 63 113.818 -2.136 13.257 1.00 0.00 H new ATOM 0 HA CYS A 63 114.659 0.085 11.692 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.971 -0.629 12.956 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.181 0.642 11.768 1.00 0.00 H new ATOM 941 N PHE A 64 113.366 2.074 13.363 1.00 0.00 N ATOM 942 CA PHE A 64 113.461 3.243 14.289 1.00 0.00 C ATOM 943 C PHE A 64 112.212 3.349 15.184 1.00 0.00 C ATOM 944 O PHE A 64 112.317 3.316 16.393 1.00 0.00 O ATOM 945 CB PHE A 64 113.631 4.530 13.477 1.00 0.00 C ATOM 946 CG PHE A 64 112.734 4.497 12.263 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.124 3.784 11.123 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.515 5.183 12.276 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.295 3.759 9.995 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.685 5.158 11.149 1.00 0.00 C ATOM 951 CZ PHE A 64 111.074 4.445 10.009 1.00 0.00 C ATOM 0 H PHE A 64 112.673 2.161 12.619 1.00 0.00 H new ATOM 0 HA PHE A 64 114.327 3.099 14.935 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.388 5.394 14.095 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.671 4.640 13.168 1.00 0.00 H new ATOM 0 HD1 PHE A 64 114.064 3.253 11.114 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.214 5.732 13.156 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.597 3.211 9.115 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.745 5.689 11.159 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.433 4.424 9.140 1.00 0.00 H new ATOM 961 N VAL A 65 111.037 3.483 14.618 1.00 0.00 N ATOM 962 CA VAL A 65 109.823 3.599 15.484 1.00 0.00 C ATOM 963 C VAL A 65 109.914 2.561 16.605 1.00 0.00 C ATOM 964 O VAL A 65 110.194 2.885 17.744 1.00 0.00 O ATOM 965 CB VAL A 65 108.557 3.346 14.658 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.375 3.109 15.601 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.265 4.563 13.780 1.00 0.00 C ATOM 0 H VAL A 65 110.867 3.517 13.613 1.00 0.00 H new ATOM 0 HA VAL A 65 109.774 4.603 15.904 1.00 0.00 H new ATOM 0 HB VAL A 65 108.706 2.470 14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.473 2.929 15.016 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.579 2.242 16.229 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.230 3.987 16.230 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.364 4.381 13.194 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.116 5.439 14.411 1.00 0.00 H new ATOM 0 HG23 VAL A 65 109.106 4.738 13.109 1.00 0.00 H new ATOM 977 N SER A 66 109.704 1.314 16.283 1.00 0.00 N ATOM 978 CA SER A 66 109.800 0.243 17.312 1.00 0.00 C ATOM 979 C SER A 66 110.505 -0.959 16.686 1.00 0.00 C ATOM 980 O SER A 66 110.178 -1.374 15.592 1.00 0.00 O ATOM 981 CB SER A 66 108.397 -0.163 17.771 1.00 0.00 C ATOM 982 OG SER A 66 108.503 -1.162 18.777 1.00 0.00 O ATOM 0 H SER A 66 109.469 0.990 15.345 1.00 0.00 H new ATOM 0 HA SER A 66 110.360 0.601 18.176 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.863 0.705 18.159 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.821 -0.541 16.926 1.00 0.00 H new ATOM 0 HG SER A 66 107.606 -1.423 19.074 1.00 0.00 H new ATOM 988 N ALA A 67 111.480 -1.517 17.350 1.00 0.00 N ATOM 989 CA ALA A 67 112.196 -2.677 16.751 1.00 0.00 C ATOM 990 C ALA A 67 113.175 -3.282 17.762 1.00 0.00 C ATOM 991 O ALA A 67 113.274 -2.839 18.888 1.00 0.00 O ATOM 992 CB ALA A 67 112.975 -2.199 15.526 1.00 0.00 C ATOM 0 H ALA A 67 111.808 -1.224 18.270 1.00 0.00 H new ATOM 0 HA ALA A 67 111.468 -3.437 16.467 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.503 -3.041 15.079 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.283 -1.777 14.797 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.695 -1.438 15.827 1.00 0.00 H new ATOM 998 N PHE A 68 113.897 -4.295 17.356 1.00 0.00 N ATOM 999 CA PHE A 68 114.865 -4.944 18.282 1.00 0.00 C ATOM 1000 C PHE A 68 116.232 -4.277 18.101 1.00 0.00 C ATOM 1001 O PHE A 68 116.743 -4.183 17.003 1.00 0.00 O ATOM 1002 CB PHE A 68 114.981 -6.434 17.939 1.00 0.00 C ATOM 1003 CG PHE A 68 113.606 -7.025 17.720 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.923 -6.776 16.522 1.00 0.00 C ATOM 1005 CD2 PHE A 68 113.020 -7.830 18.705 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.654 -7.331 16.310 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.751 -8.383 18.493 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.068 -8.133 17.296 1.00 0.00 C ATOM 0 H PHE A 68 113.856 -4.699 16.420 1.00 0.00 H new ATOM 0 HA PHE A 68 114.525 -4.837 19.312 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.588 -6.563 17.043 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.488 -6.963 18.746 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.375 -6.156 15.762 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.547 -8.024 19.628 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.128 -7.140 15.386 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.299 -9.003 19.253 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.089 -8.559 17.134 1.00 0.00 H new ATOM 1018 N ASN A 69 116.824 -3.805 19.163 1.00 0.00 N ATOM 1019 CA ASN A 69 118.150 -3.134 19.035 1.00 0.00 C ATOM 1020 C ASN A 69 119.235 -4.179 18.770 1.00 0.00 C ATOM 1021 O ASN A 69 118.954 -5.340 18.556 1.00 0.00 O ATOM 1022 CB ASN A 69 118.472 -2.385 20.331 1.00 0.00 C ATOM 1023 CG ASN A 69 117.573 -1.154 20.445 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.031 -0.690 19.461 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.389 -0.601 21.612 1.00 0.00 N ATOM 0 H ASN A 69 116.450 -3.854 20.111 1.00 0.00 H new ATOM 0 HA ASN A 69 118.116 -2.429 18.204 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.321 -3.040 21.189 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.520 -2.085 20.340 1.00 0.00 H new ATOM 0 HD21 ASN A 69 116.790 0.220 21.698 1.00 0.00 H new ATOM 0 HD22 ASN A 69 117.844 -0.990 22.438 1.00 0.00 H new ATOM 1032 N LEU A 70 120.475 -3.772 18.782 1.00 0.00 N ATOM 1033 CA LEU A 70 121.581 -4.737 18.533 1.00 0.00 C ATOM 1034 C LEU A 70 121.603 -5.774 19.657 1.00 0.00 C ATOM 1035 O LEU A 70 122.108 -6.868 19.500 1.00 0.00 O ATOM 1036 CB LEU A 70 122.917 -3.989 18.493 1.00 0.00 C ATOM 1037 CG LEU A 70 123.095 -3.332 17.121 1.00 0.00 C ATOM 1038 CD1 LEU A 70 123.339 -4.411 16.059 1.00 0.00 C ATOM 1039 CD2 LEU A 70 121.832 -2.543 16.760 1.00 0.00 C ATOM 0 H LEU A 70 120.769 -2.811 18.954 1.00 0.00 H new ATOM 0 HA LEU A 70 121.424 -5.237 17.577 1.00 0.00 H new ATOM 0 HB2 LEU A 70 122.945 -3.232 19.277 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.738 -4.679 18.687 1.00 0.00 H new ATOM 0 HG LEU A 70 123.950 -2.656 17.156 1.00 0.00 H new ATOM 0 HD11 LEU A 70 123.465 -3.940 15.084 1.00 0.00 H new ATOM 0 HD12 LEU A 70 124.239 -4.972 16.310 1.00 0.00 H new ATOM 0 HD13 LEU A 70 122.486 -5.089 16.027 1.00 0.00 H new ATOM 0 HD21 LEU A 70 121.961 -2.076 15.783 1.00 0.00 H new ATOM 0 HD22 LEU A 70 120.977 -3.219 16.729 1.00 0.00 H new ATOM 0 HD23 LEU A 70 121.658 -1.772 17.510 1.00 0.00 H new ATOM 1051 N SER A 71 121.045 -5.441 20.790 1.00 0.00 N ATOM 1052 CA SER A 71 121.017 -6.408 21.922 1.00 0.00 C ATOM 1053 C SER A 71 119.843 -7.365 21.724 1.00 0.00 C ATOM 1054 O SER A 71 119.682 -8.332 22.444 1.00 0.00 O ATOM 1055 CB SER A 71 120.835 -5.649 23.238 1.00 0.00 C ATOM 1056 OG SER A 71 119.556 -5.028 23.249 1.00 0.00 O ATOM 0 H SER A 71 120.607 -4.539 20.979 1.00 0.00 H new ATOM 0 HA SER A 71 121.952 -6.967 21.954 1.00 0.00 H new ATOM 0 HB2 SER A 71 120.927 -6.333 24.082 1.00 0.00 H new ATOM 0 HB3 SER A 71 121.617 -4.898 23.349 1.00 0.00 H new ATOM 0 HG SER A 71 119.550 -4.304 23.909 1.00 0.00 H new ATOM 1062 N GLY A 72 119.017 -7.101 20.746 1.00 0.00 N ATOM 1063 CA GLY A 72 117.848 -7.985 20.488 1.00 0.00 C ATOM 1064 C GLY A 72 116.703 -7.601 21.426 1.00 0.00 C ATOM 1065 O GLY A 72 115.774 -8.358 21.632 1.00 0.00 O ATOM 0 H GLY A 72 119.104 -6.306 20.113 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.529 -7.891 19.450 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.125 -9.028 20.643 1.00 0.00 H new ATOM 1069 N LYS A 73 116.757 -6.426 21.994 1.00 0.00 N ATOM 1070 CA LYS A 73 115.670 -5.988 22.916 1.00 0.00 C ATOM 1071 C LYS A 73 114.721 -5.048 22.165 1.00 0.00 C ATOM 1072 O LYS A 73 115.145 -4.218 21.389 1.00 0.00 O ATOM 1073 CB LYS A 73 116.285 -5.250 24.111 1.00 0.00 C ATOM 1074 CG LYS A 73 117.074 -6.240 24.974 1.00 0.00 C ATOM 1075 CD LYS A 73 117.806 -5.482 26.085 1.00 0.00 C ATOM 1076 CE LYS A 73 116.823 -5.138 27.207 1.00 0.00 C ATOM 1077 NZ LYS A 73 117.575 -4.612 28.382 1.00 0.00 N ATOM 0 H LYS A 73 117.508 -5.750 21.859 1.00 0.00 H new ATOM 0 HA LYS A 73 115.116 -6.856 23.273 1.00 0.00 H new ATOM 0 HB2 LYS A 73 116.941 -4.453 23.761 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.501 -4.779 24.704 1.00 0.00 H new ATOM 0 HG2 LYS A 73 116.399 -6.979 25.407 1.00 0.00 H new ATOM 0 HG3 LYS A 73 117.790 -6.785 24.358 1.00 0.00 H new ATOM 0 HD2 LYS A 73 118.622 -6.089 26.477 1.00 0.00 H new ATOM 0 HD3 LYS A 73 118.250 -4.571 25.685 1.00 0.00 H new ATOM 0 HE2 LYS A 73 116.104 -4.396 26.860 1.00 0.00 H new ATOM 0 HE3 LYS A 73 116.255 -6.024 27.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 116.908 -4.378 29.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 118.245 -5.334 28.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 118.098 -3.757 28.105 1.00 0.00 H new ATOM 1091 N ASN A 74 113.439 -5.176 22.385 1.00 0.00 N ATOM 1092 CA ASN A 74 112.469 -4.293 21.673 1.00 0.00 C ATOM 1093 C ASN A 74 112.367 -2.943 22.391 1.00 0.00 C ATOM 1094 O ASN A 74 111.823 -2.843 23.474 1.00 0.00 O ATOM 1095 CB ASN A 74 111.093 -4.962 21.644 1.00 0.00 C ATOM 1096 CG ASN A 74 110.120 -4.092 20.846 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.382 -2.930 20.610 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.001 -4.608 20.417 1.00 0.00 N ATOM 0 H ASN A 74 113.022 -5.852 23.025 1.00 0.00 H new ATOM 0 HA ASN A 74 112.817 -4.130 20.653 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.167 -5.951 21.193 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.723 -5.102 22.660 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.347 -4.035 19.884 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.781 -5.584 20.615 1.00 0.00 H new ATOM 1105 N GLU A 75 112.881 -1.902 21.790 1.00 0.00 N ATOM 1106 CA GLU A 75 112.814 -0.557 22.427 1.00 0.00 C ATOM 1107 C GLU A 75 112.608 0.520 21.357 1.00 0.00 C ATOM 1108 O GLU A 75 113.209 0.486 20.301 1.00 0.00 O ATOM 1109 CB GLU A 75 114.132 -0.280 23.166 1.00 0.00 C ATOM 1110 CG GLU A 75 114.253 -1.215 24.372 1.00 0.00 C ATOM 1111 CD GLU A 75 115.612 -1.008 25.045 1.00 0.00 C ATOM 1112 OE1 GLU A 75 116.368 -0.179 24.567 1.00 0.00 O ATOM 1113 OE2 GLU A 75 115.871 -1.681 26.029 1.00 0.00 O ATOM 0 H GLU A 75 113.346 -1.927 20.882 1.00 0.00 H new ATOM 0 HA GLU A 75 111.979 -0.536 23.128 1.00 0.00 H new ATOM 0 HB2 GLU A 75 114.976 -0.428 22.492 1.00 0.00 H new ATOM 0 HB3 GLU A 75 114.165 0.759 23.494 1.00 0.00 H new ATOM 0 HG2 GLU A 75 113.450 -1.016 25.082 1.00 0.00 H new ATOM 0 HG3 GLU A 75 114.147 -2.252 24.053 1.00 0.00 H new ATOM 1120 N ASN A 76 111.756 1.469 21.617 1.00 0.00 N ATOM 1121 CA ASN A 76 111.506 2.545 20.609 1.00 0.00 C ATOM 1122 C ASN A 76 112.810 3.288 20.326 1.00 0.00 C ATOM 1123 O ASN A 76 113.639 3.445 21.198 1.00 0.00 O ATOM 1124 CB ASN A 76 110.460 3.529 21.160 1.00 0.00 C ATOM 1125 CG ASN A 76 110.072 4.534 20.071 1.00 0.00 C ATOM 1126 OD1 ASN A 76 110.766 4.675 19.085 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.984 5.244 20.210 1.00 0.00 N ATOM 0 H ASN A 76 111.220 1.550 22.481 1.00 0.00 H new ATOM 0 HA ASN A 76 111.134 2.101 19.685 1.00 0.00 H new ATOM 0 HB2 ASN A 76 109.578 2.985 21.498 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.862 4.054 22.027 1.00 0.00 H new ATOM 0 HD21 ASN A 76 108.718 5.916 19.490 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.400 5.126 21.038 1.00 0.00 H new ATOM 1134 N LEU A 77 113.006 3.732 19.115 1.00 0.00 N ATOM 1135 CA LEU A 77 114.266 4.464 18.775 1.00 0.00 C ATOM 1136 C LEU A 77 114.010 5.979 18.794 1.00 0.00 C ATOM 1137 O LEU A 77 114.861 6.763 18.423 1.00 0.00 O ATOM 1138 CB LEU A 77 114.735 4.045 17.378 1.00 0.00 C ATOM 1139 CG LEU A 77 116.227 4.352 17.209 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.050 3.474 18.159 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.642 4.059 15.764 1.00 0.00 C ATOM 0 H LEU A 77 112.349 3.621 18.343 1.00 0.00 H new ATOM 0 HA LEU A 77 115.034 4.220 19.509 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.556 2.980 17.230 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.159 4.574 16.619 1.00 0.00 H new ATOM 0 HG LEU A 77 116.407 5.402 17.441 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.110 3.697 18.034 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.755 3.677 19.189 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.871 2.423 17.930 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.703 4.276 15.639 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.457 3.009 15.538 1.00 0.00 H new ATOM 0 HD23 LEU A 77 116.061 4.684 15.085 1.00 0.00 H new ATOM 1153 N GLU A 78 112.844 6.396 19.212 1.00 0.00 N ATOM 1154 CA GLU A 78 112.543 7.856 19.234 1.00 0.00 C ATOM 1155 C GLU A 78 113.374 8.543 20.321 1.00 0.00 C ATOM 1156 O GLU A 78 113.887 9.627 20.128 1.00 0.00 O ATOM 1157 CB GLU A 78 111.051 8.071 19.500 1.00 0.00 C ATOM 1158 CG GLU A 78 110.736 7.791 20.970 1.00 0.00 C ATOM 1159 CD GLU A 78 111.068 9.028 21.807 1.00 0.00 C ATOM 1160 OE1 GLU A 78 110.837 10.124 21.322 1.00 0.00 O ATOM 1161 OE2 GLU A 78 111.545 8.858 22.916 1.00 0.00 O ATOM 0 H GLU A 78 112.090 5.791 19.538 1.00 0.00 H new ATOM 0 HA GLU A 78 112.799 8.290 18.267 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.772 9.094 19.248 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.461 7.414 18.861 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.683 7.533 21.085 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.314 6.936 21.320 1.00 0.00 H new ATOM 1168 N ASN A 79 113.518 7.921 21.459 1.00 0.00 N ATOM 1169 CA ASN A 79 114.322 8.545 22.545 1.00 0.00 C ATOM 1170 C ASN A 79 115.775 8.685 22.077 1.00 0.00 C ATOM 1171 O ASN A 79 116.493 9.567 22.506 1.00 0.00 O ATOM 1172 CB ASN A 79 114.269 7.662 23.794 1.00 0.00 C ATOM 1173 CG ASN A 79 114.746 6.252 23.441 1.00 0.00 C ATOM 1174 OD1 ASN A 79 115.283 6.028 22.375 1.00 0.00 O ATOM 1175 ND2 ASN A 79 114.569 5.282 24.296 1.00 0.00 N ATOM 0 H ASN A 79 113.115 7.011 21.682 1.00 0.00 H new ATOM 0 HA ASN A 79 113.917 9.528 22.783 1.00 0.00 H new ATOM 0 HB2 ASN A 79 114.897 8.084 24.578 1.00 0.00 H new ATOM 0 HB3 ASN A 79 113.252 7.626 24.185 1.00 0.00 H new ATOM 0 HD21 ASN A 79 114.881 4.338 24.068 1.00 0.00 H new ATOM 0 HD22 ASN A 79 114.118 5.468 25.192 1.00 0.00 H new ATOM 1182 N LYS A 80 116.204 7.828 21.191 1.00 0.00 N ATOM 1183 CA LYS A 80 117.599 7.915 20.680 1.00 0.00 C ATOM 1184 C LYS A 80 117.689 9.034 19.640 1.00 0.00 C ATOM 1185 O LYS A 80 118.553 9.887 19.702 1.00 0.00 O ATOM 1186 CB LYS A 80 117.983 6.580 20.031 1.00 0.00 C ATOM 1187 CG LYS A 80 119.333 6.713 19.319 1.00 0.00 C ATOM 1188 CD LYS A 80 120.407 7.134 20.326 1.00 0.00 C ATOM 1189 CE LYS A 80 121.794 6.890 19.728 1.00 0.00 C ATOM 1190 NZ LYS A 80 122.837 7.383 20.672 1.00 0.00 N ATOM 0 H LYS A 80 115.646 7.070 20.799 1.00 0.00 H new ATOM 0 HA LYS A 80 118.280 8.130 21.504 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.038 5.800 20.790 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.215 6.278 19.319 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.606 5.765 18.856 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.262 7.450 18.519 1.00 0.00 H new ATOM 0 HD2 LYS A 80 120.289 8.188 20.580 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.294 6.569 21.251 1.00 0.00 H new ATOM 0 HE2 LYS A 80 121.936 5.827 19.535 1.00 0.00 H new ATOM 0 HE3 LYS A 80 121.884 7.403 18.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 123.780 7.217 20.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 122.705 8.402 20.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 122.755 6.875 21.576 1.00 0.00 H new ATOM 1204 N LEU A 81 116.804 9.028 18.681 1.00 0.00 N ATOM 1205 CA LEU A 81 116.830 10.079 17.622 1.00 0.00 C ATOM 1206 C LEU A 81 115.429 10.671 17.467 1.00 0.00 C ATOM 1207 O LEU A 81 114.456 9.954 17.340 1.00 0.00 O ATOM 1208 CB LEU A 81 117.268 9.445 16.298 1.00 0.00 C ATOM 1209 CG LEU A 81 117.476 10.533 15.241 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.596 11.477 15.687 1.00 0.00 C ATOM 1211 CD2 LEU A 81 117.863 9.877 13.913 1.00 0.00 C ATOM 0 H LEU A 81 116.060 8.337 18.584 1.00 0.00 H new ATOM 0 HA LEU A 81 117.529 10.868 17.898 1.00 0.00 H new ATOM 0 HB2 LEU A 81 118.192 8.884 16.442 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.514 8.735 15.958 1.00 0.00 H new ATOM 0 HG LEU A 81 116.554 11.101 15.117 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.742 12.250 14.933 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.325 11.941 16.635 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.520 10.912 15.811 1.00 0.00 H new ATOM 0 HD21 LEU A 81 118.012 10.647 13.157 1.00 0.00 H new ATOM 0 HD22 LEU A 81 118.786 9.311 14.042 1.00 0.00 H new ATOM 0 HD23 LEU A 81 117.067 9.205 13.594 1.00 0.00 H new ATOM 1223 N LYS A 82 115.313 11.970 17.474 1.00 0.00 N ATOM 1224 CA LYS A 82 113.968 12.594 17.323 1.00 0.00 C ATOM 1225 C LYS A 82 113.588 12.632 15.839 1.00 0.00 C ATOM 1226 O LYS A 82 113.794 13.619 15.161 1.00 0.00 O ATOM 1227 CB LYS A 82 113.999 14.017 17.884 1.00 0.00 C ATOM 1228 CG LYS A 82 114.175 13.963 19.403 1.00 0.00 C ATOM 1229 CD LYS A 82 114.356 15.381 19.952 1.00 0.00 C ATOM 1230 CE LYS A 82 113.042 16.152 19.823 1.00 0.00 C ATOM 1231 NZ LYS A 82 113.083 17.356 20.700 1.00 0.00 N ATOM 0 H LYS A 82 116.088 12.625 17.577 1.00 0.00 H new ATOM 0 HA LYS A 82 113.230 12.008 17.870 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.816 14.580 17.432 1.00 0.00 H new ATOM 0 HB3 LYS A 82 113.076 14.539 17.633 1.00 0.00 H new ATOM 0 HG2 LYS A 82 113.306 13.493 19.863 1.00 0.00 H new ATOM 0 HG3 LYS A 82 115.040 13.351 19.657 1.00 0.00 H new ATOM 0 HD2 LYS A 82 114.665 15.341 20.997 1.00 0.00 H new ATOM 0 HD3 LYS A 82 115.146 15.895 19.405 1.00 0.00 H new ATOM 0 HE2 LYS A 82 112.883 16.449 18.786 1.00 0.00 H new ATOM 0 HE3 LYS A 82 112.204 15.513 20.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 112.189 17.880 20.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 113.216 17.061 21.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 113.873 17.968 20.412 1.00 0.00 H new ATOM 1245 N LEU A 83 113.042 11.560 15.331 1.00 0.00 N ATOM 1246 CA LEU A 83 112.650 11.525 13.892 1.00 0.00 C ATOM 1247 C LEU A 83 111.352 12.313 13.686 1.00 0.00 C ATOM 1248 O LEU A 83 110.466 12.300 14.517 1.00 0.00 O ATOM 1249 CB LEU A 83 112.434 10.074 13.457 1.00 0.00 C ATOM 1250 CG LEU A 83 113.778 9.343 13.407 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.534 7.849 13.185 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.622 9.897 12.256 1.00 0.00 C ATOM 0 H LEU A 83 112.850 10.704 15.852 1.00 0.00 H new ATOM 0 HA LEU A 83 113.444 11.974 13.295 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.762 9.572 14.153 1.00 0.00 H new ATOM 0 HB3 LEU A 83 111.957 10.045 12.477 1.00 0.00 H new ATOM 0 HG LEU A 83 114.307 9.492 14.348 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.489 7.326 13.149 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.934 7.453 14.004 1.00 0.00 H new ATOM 0 HD13 LEU A 83 113.004 7.703 12.244 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.578 9.375 12.222 1.00 0.00 H new ATOM 0 HD22 LEU A 83 114.094 9.749 11.314 1.00 0.00 H new ATOM 0 HD23 LEU A 83 114.795 10.962 12.411 1.00 0.00 H new ATOM 1264 N THR A 84 111.238 12.995 12.576 1.00 0.00 N ATOM 1265 CA THR A 84 110.000 13.785 12.304 1.00 0.00 C ATOM 1266 C THR A 84 109.449 13.404 10.928 1.00 0.00 C ATOM 1267 O THR A 84 110.144 12.839 10.106 1.00 0.00 O ATOM 1268 CB THR A 84 110.333 15.280 12.318 1.00 0.00 C ATOM 1269 OG1 THR A 84 111.167 15.588 11.211 1.00 0.00 O ATOM 1270 CG2 THR A 84 111.059 15.634 13.619 1.00 0.00 C ATOM 0 H THR A 84 111.949 13.039 11.846 1.00 0.00 H new ATOM 0 HA THR A 84 109.256 13.570 13.071 1.00 0.00 H new ATOM 0 HB THR A 84 109.411 15.857 12.252 1.00 0.00 H new ATOM 0 HG1 THR A 84 111.379 16.545 11.218 1.00 0.00 H new ATOM 0 HG21 THR A 84 111.295 16.698 13.626 1.00 0.00 H new ATOM 0 HG22 THR A 84 110.418 15.398 14.469 1.00 0.00 H new ATOM 0 HG23 THR A 84 111.981 15.058 13.689 1.00 0.00 H new ATOM 1278 N ASN A 85 108.204 13.705 10.669 1.00 0.00 N ATOM 1279 CA ASN A 85 107.616 13.360 9.343 1.00 0.00 C ATOM 1280 C ASN A 85 107.783 11.861 9.080 1.00 0.00 C ATOM 1281 O ASN A 85 108.290 11.454 8.053 1.00 0.00 O ATOM 1282 CB ASN A 85 108.323 14.155 8.244 1.00 0.00 C ATOM 1283 CG ASN A 85 107.787 15.588 8.221 1.00 0.00 C ATOM 1284 OD1 ASN A 85 107.231 16.056 9.195 1.00 0.00 O ATOM 1285 ND2 ASN A 85 107.924 16.306 7.141 1.00 0.00 N ATOM 0 H ASN A 85 107.571 14.174 11.317 1.00 0.00 H new ATOM 0 HA ASN A 85 106.555 13.610 9.344 1.00 0.00 H new ATOM 0 HB2 ASN A 85 109.399 14.161 8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 85 108.161 13.680 7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 85 107.565 17.260 7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 85 108.391 15.913 6.323 1.00 0.00 H new ATOM 1292 N ILE A 86 107.373 11.041 10.006 1.00 0.00 N ATOM 1293 CA ILE A 86 107.513 9.568 9.822 1.00 0.00 C ATOM 1294 C ILE A 86 106.380 9.039 8.933 1.00 0.00 C ATOM 1295 O ILE A 86 105.218 9.322 9.155 1.00 0.00 O ATOM 1296 CB ILE A 86 107.459 8.888 11.191 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.662 9.339 12.023 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.501 7.370 11.014 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.484 8.887 13.473 1.00 0.00 C ATOM 0 H ILE A 86 106.945 11.328 10.886 1.00 0.00 H new ATOM 0 HA ILE A 86 108.466 9.350 9.340 1.00 0.00 H new ATOM 0 HB ILE A 86 106.535 9.164 11.700 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.579 8.919 11.611 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.760 10.424 11.979 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.462 6.889 11.991 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.647 7.049 10.418 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.424 7.088 10.507 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.342 9.210 14.063 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.576 9.328 13.883 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.407 7.800 13.509 1.00 0.00 H new ATOM 1311 N ILE A 87 106.716 8.267 7.928 1.00 0.00 N ATOM 1312 CA ILE A 87 105.672 7.707 7.017 1.00 0.00 C ATOM 1313 C ILE A 87 105.709 6.177 7.091 1.00 0.00 C ATOM 1314 O ILE A 87 106.718 5.563 6.792 1.00 0.00 O ATOM 1315 CB ILE A 87 105.967 8.141 5.577 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.999 9.672 5.488 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.886 7.596 4.642 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.688 10.254 6.020 1.00 0.00 C ATOM 0 H ILE A 87 107.674 8.000 7.700 1.00 0.00 H new ATOM 0 HA ILE A 87 104.690 8.072 7.319 1.00 0.00 H new ATOM 0 HB ILE A 87 106.938 7.745 5.278 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.839 10.061 6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.151 9.981 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.099 7.907 3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.874 6.507 4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.914 7.985 4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.719 11.342 5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.855 9.878 5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.554 9.958 7.061 1.00 0.00 H new ATOM 1330 N MET A 88 104.626 5.550 7.482 1.00 0.00 N ATOM 1331 CA MET A 88 104.621 4.055 7.566 1.00 0.00 C ATOM 1332 C MET A 88 103.524 3.486 6.656 1.00 0.00 C ATOM 1333 O MET A 88 102.358 3.474 7.005 1.00 0.00 O ATOM 1334 CB MET A 88 104.359 3.622 9.011 1.00 0.00 C ATOM 1335 CG MET A 88 105.470 4.157 9.914 1.00 0.00 C ATOM 1336 SD MET A 88 105.132 3.693 11.631 1.00 0.00 S ATOM 1337 CE MET A 88 105.824 2.021 11.562 1.00 0.00 C ATOM 0 H MET A 88 103.751 6.004 7.745 1.00 0.00 H new ATOM 0 HA MET A 88 105.590 3.676 7.242 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.392 3.998 9.345 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.317 2.535 9.074 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.433 3.754 9.601 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.534 5.242 9.825 1.00 0.00 H new ATOM 0 HE1 MET A 88 105.832 1.589 12.563 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.214 1.402 10.904 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.843 2.065 11.177 1.00 0.00 H new ATOM 1347 N ASP A 89 103.891 3.001 5.498 1.00 0.00 N ATOM 1348 CA ASP A 89 102.878 2.419 4.565 1.00 0.00 C ATOM 1349 C ASP A 89 103.084 0.904 4.492 1.00 0.00 C ATOM 1350 O ASP A 89 103.961 0.419 3.800 1.00 0.00 O ATOM 1351 CB ASP A 89 103.058 3.029 3.175 1.00 0.00 C ATOM 1352 CG ASP A 89 101.872 2.646 2.289 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.054 1.858 2.736 1.00 0.00 O ATOM 1354 OD2 ASP A 89 101.803 3.143 1.177 1.00 0.00 O ATOM 0 H ASP A 89 104.852 2.983 5.157 1.00 0.00 H new ATOM 0 HA ASP A 89 101.873 2.637 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 89 103.133 4.114 3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 89 103.987 2.675 2.729 1.00 0.00 H new ATOM 1359 N HIS A 90 102.291 0.147 5.199 1.00 0.00 N ATOM 1360 CA HIS A 90 102.446 -1.336 5.169 1.00 0.00 C ATOM 1361 C HIS A 90 101.964 -1.903 3.829 1.00 0.00 C ATOM 1362 O HIS A 90 102.525 -2.849 3.312 1.00 0.00 O ATOM 1363 CB HIS A 90 101.632 -1.954 6.306 1.00 0.00 C ATOM 1364 CG HIS A 90 102.275 -1.616 7.622 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.372 -2.312 8.110 1.00 0.00 N ATOM 1366 CD2 HIS A 90 101.989 -0.657 8.564 1.00 0.00 C ATOM 1367 CE1 HIS A 90 103.702 -1.769 9.298 1.00 0.00 C ATOM 1368 NE2 HIS A 90 102.892 -0.760 9.617 1.00 0.00 N ATOM 0 H HIS A 90 101.541 0.492 5.798 1.00 0.00 H new ATOM 0 HA HIS A 90 103.501 -1.580 5.292 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.609 -1.578 6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.577 -3.036 6.183 1.00 0.00 H new ATOM 0 HD2 HIS A 90 101.188 0.064 8.497 1.00 0.00 H new ATOM 0 HE1 HIS A 90 104.521 -2.109 9.915 1.00 0.00 H new ATOM 0 HE2 HIS A 90 102.927 -0.184 10.458 1.00 0.00 H new ATOM 1377 N TYR A 91 100.928 -1.347 3.264 1.00 0.00 N ATOM 1378 CA TYR A 91 100.425 -1.876 1.963 1.00 0.00 C ATOM 1379 C TYR A 91 101.523 -1.763 0.903 1.00 0.00 C ATOM 1380 O TYR A 91 101.782 -2.694 0.166 1.00 0.00 O ATOM 1381 CB TYR A 91 99.199 -1.076 1.517 1.00 0.00 C ATOM 1382 CG TYR A 91 98.809 -1.500 0.121 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.125 -2.705 -0.080 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.135 -0.690 -0.972 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.766 -3.099 -1.375 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.778 -1.083 -2.267 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.093 -2.288 -2.468 1.00 0.00 C ATOM 1388 OH TYR A 91 97.741 -2.676 -3.746 1.00 0.00 O ATOM 0 H TYR A 91 100.410 -0.554 3.643 1.00 0.00 H new ATOM 0 HA TYR A 91 100.146 -2.922 2.086 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.371 -1.244 2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.419 -0.009 1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.874 -3.331 0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.663 0.239 -0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.237 -4.028 -1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 91 99.031 -0.458 -3.111 1.00 0.00 H new ATOM 0 HH TYR A 91 98.042 -1.999 -4.388 1.00 0.00 H new ATOM 1398 N ASN A 92 102.175 -0.635 0.823 1.00 0.00 N ATOM 1399 CA ASN A 92 103.257 -0.476 -0.188 1.00 0.00 C ATOM 1400 C ASN A 92 104.581 -0.946 0.417 1.00 0.00 C ATOM 1401 O ASN A 92 105.594 -1.010 -0.252 1.00 0.00 O ATOM 1402 CB ASN A 92 103.367 0.995 -0.597 1.00 0.00 C ATOM 1403 CG ASN A 92 102.212 1.352 -1.534 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.579 0.481 -2.096 1.00 0.00 O ATOM 1405 ND2 ASN A 92 101.909 2.607 -1.731 1.00 0.00 N ATOM 0 H ASN A 92 102.006 0.180 1.412 1.00 0.00 H new ATOM 0 HA ASN A 92 103.027 -1.074 -1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.342 1.632 0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.321 1.175 -1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.142 2.854 -2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.440 3.340 -1.260 1.00 0.00 H new ATOM 1412 N ASN A 93 104.572 -1.290 1.677 1.00 0.00 N ATOM 1413 CA ASN A 93 105.817 -1.779 2.329 1.00 0.00 C ATOM 1414 C ASN A 93 106.947 -0.765 2.142 1.00 0.00 C ATOM 1415 O ASN A 93 108.051 -1.114 1.771 1.00 0.00 O ATOM 1416 CB ASN A 93 106.221 -3.119 1.707 1.00 0.00 C ATOM 1417 CG ASN A 93 105.228 -4.203 2.134 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.506 -4.037 3.098 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.161 -5.317 1.455 1.00 0.00 N ATOM 0 H ASN A 93 103.752 -1.253 2.283 1.00 0.00 H new ATOM 0 HA ASN A 93 105.634 -1.908 3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.240 -3.036 0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.228 -3.389 2.023 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.504 -6.046 1.734 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.766 -5.458 0.646 1.00 0.00 H new ATOM 1426 N THR A 94 106.688 0.493 2.401 1.00 0.00 N ATOM 1427 CA THR A 94 107.759 1.524 2.242 1.00 0.00 C ATOM 1428 C THR A 94 107.777 2.436 3.474 1.00 0.00 C ATOM 1429 O THR A 94 106.742 2.797 4.003 1.00 0.00 O ATOM 1430 CB THR A 94 107.488 2.359 0.988 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.354 3.485 0.976 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.034 2.829 0.990 1.00 0.00 C ATOM 0 H THR A 94 105.785 0.849 2.714 1.00 0.00 H new ATOM 0 HA THR A 94 108.725 1.030 2.142 1.00 0.00 H new ATOM 0 HB THR A 94 107.668 1.753 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 94 107.939 4.222 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 94 105.843 3.423 0.097 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.372 1.963 0.999 1.00 0.00 H new ATOM 0 HG23 THR A 94 105.849 3.436 1.876 1.00 0.00 H new ATOM 1440 N PHE A 95 108.944 2.802 3.937 1.00 0.00 N ATOM 1441 CA PHE A 95 109.025 3.684 5.143 1.00 0.00 C ATOM 1442 C PHE A 95 109.938 4.882 4.855 1.00 0.00 C ATOM 1443 O PHE A 95 110.970 4.750 4.226 1.00 0.00 O ATOM 1444 CB PHE A 95 109.602 2.878 6.310 1.00 0.00 C ATOM 1445 CG PHE A 95 108.761 1.643 6.532 1.00 0.00 C ATOM 1446 CD1 PHE A 95 109.035 0.472 5.813 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.711 1.667 7.457 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.256 -0.674 6.017 1.00 0.00 C ATOM 1449 CE2 PHE A 95 106.934 0.521 7.662 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.207 -0.649 6.943 1.00 0.00 C ATOM 0 H PHE A 95 109.842 2.531 3.535 1.00 0.00 H new ATOM 0 HA PHE A 95 108.029 4.047 5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.633 2.596 6.097 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.619 3.487 7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.847 0.453 5.101 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.500 2.569 8.012 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.465 -1.576 5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.123 0.539 8.375 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.608 -1.533 7.103 1.00 0.00 H new ATOM 1460 N TYR A 96 109.570 6.050 5.320 1.00 0.00 N ATOM 1461 CA TYR A 96 110.418 7.258 5.081 1.00 0.00 C ATOM 1462 C TYR A 96 110.482 8.099 6.361 1.00 0.00 C ATOM 1463 O TYR A 96 109.546 8.139 7.135 1.00 0.00 O ATOM 1464 CB TYR A 96 109.800 8.122 3.974 1.00 0.00 C ATOM 1465 CG TYR A 96 109.614 7.313 2.712 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.683 7.138 1.825 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.364 6.753 2.423 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.501 6.398 0.650 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.182 6.016 1.246 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.251 5.839 0.361 1.00 0.00 C ATOM 1471 OH TYR A 96 109.071 5.115 -0.800 1.00 0.00 O ATOM 0 H TYR A 96 108.718 6.219 5.855 1.00 0.00 H new ATOM 0 HA TYR A 96 111.416 6.931 4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.839 8.515 4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.443 8.979 3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.646 7.573 2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.540 6.889 3.108 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.326 6.259 -0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.218 5.585 1.022 1.00 0.00 H new ATOM 0 HH TYR A 96 108.573 4.295 -0.600 1.00 0.00 H new ATOM 1481 N SER A 97 111.572 8.784 6.583 1.00 0.00 N ATOM 1482 CA SER A 97 111.683 9.640 7.802 1.00 0.00 C ATOM 1483 C SER A 97 112.686 10.767 7.537 1.00 0.00 C ATOM 1484 O SER A 97 113.529 10.669 6.664 1.00 0.00 O ATOM 1485 CB SER A 97 112.160 8.796 8.986 1.00 0.00 C ATOM 1486 OG SER A 97 113.575 8.671 8.934 1.00 0.00 O ATOM 0 H SER A 97 112.390 8.788 5.974 1.00 0.00 H new ATOM 0 HA SER A 97 110.707 10.065 8.038 1.00 0.00 H new ATOM 0 HB2 SER A 97 111.859 9.262 9.924 1.00 0.00 H new ATOM 0 HB3 SER A 97 111.695 7.811 8.956 1.00 0.00 H new ATOM 0 HG SER A 97 113.824 7.730 9.043 1.00 0.00 H new ATOM 1492 N ARG A 98 112.601 11.842 8.279 1.00 0.00 N ATOM 1493 CA ARG A 98 113.554 12.974 8.061 1.00 0.00 C ATOM 1494 C ARG A 98 114.613 12.970 9.172 1.00 0.00 C ATOM 1495 O ARG A 98 114.309 12.791 10.333 1.00 0.00 O ATOM 1496 CB ARG A 98 112.791 14.305 8.087 1.00 0.00 C ATOM 1497 CG ARG A 98 111.768 14.339 6.943 1.00 0.00 C ATOM 1498 CD ARG A 98 110.999 15.661 6.981 1.00 0.00 C ATOM 1499 NE ARG A 98 111.832 16.730 6.339 1.00 0.00 N ATOM 1500 CZ ARG A 98 111.388 17.954 6.231 1.00 0.00 C ATOM 1501 NH1 ARG A 98 110.155 18.241 6.557 1.00 0.00 N ATOM 1502 NH2 ARG A 98 112.171 18.889 5.763 1.00 0.00 N ATOM 0 H ARG A 98 111.917 11.985 9.022 1.00 0.00 H new ATOM 0 HA ARG A 98 114.040 12.856 7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.284 14.426 9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.489 15.137 7.989 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.275 14.229 5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 98 111.076 13.502 7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.049 15.559 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 98 110.767 15.932 8.011 1.00 0.00 H new ATOM 0 HE ARG A 98 112.759 16.498 5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 98 109.534 17.507 6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 98 109.814 19.199 6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 98 113.125 18.662 5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 98 111.828 19.846 5.677 1.00 0.00 H new ATOM 1516 N LEU A 99 115.855 13.166 8.820 1.00 0.00 N ATOM 1517 CA LEU A 99 116.941 13.174 9.841 1.00 0.00 C ATOM 1518 C LEU A 99 117.136 14.597 10.374 1.00 0.00 C ATOM 1519 O LEU A 99 117.169 15.542 9.611 1.00 0.00 O ATOM 1520 CB LEU A 99 118.250 12.723 9.187 1.00 0.00 C ATOM 1521 CG LEU A 99 118.258 11.205 8.996 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.561 10.790 8.303 1.00 0.00 C ATOM 1523 CD2 LEU A 99 118.166 10.511 10.359 1.00 0.00 C ATOM 0 H LEU A 99 116.166 13.322 7.861 1.00 0.00 H new ATOM 0 HA LEU A 99 116.670 12.503 10.656 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.371 13.217 8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.095 13.022 9.807 1.00 0.00 H new ATOM 0 HG LEU A 99 117.404 10.913 8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.571 9.709 8.165 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.629 11.281 7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.411 11.085 8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 99 118.172 9.430 10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 99 119.018 10.802 10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 99 117.242 10.807 10.856 1.00 0.00 H new ATOM 1535 N PRO A 100 117.293 14.760 11.667 1.00 0.00 N ATOM 1536 CA PRO A 100 117.521 16.101 12.267 1.00 0.00 C ATOM 1537 C PRO A 100 118.569 16.889 11.479 1.00 0.00 C ATOM 1538 O PRO A 100 119.128 16.400 10.518 1.00 0.00 O ATOM 1539 CB PRO A 100 118.030 15.790 13.674 1.00 0.00 C ATOM 1540 CG PRO A 100 117.457 14.454 14.014 1.00 0.00 C ATOM 1541 CD PRO A 100 117.265 13.702 12.694 1.00 0.00 C ATOM 0 HA PRO A 100 116.621 16.716 12.265 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.119 15.769 13.703 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.707 16.549 14.386 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.125 13.905 14.677 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.507 14.563 14.538 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.057 12.970 12.534 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.321 13.158 12.679 1.00 0.00 H new ATOM 1549 N SER A 101 118.838 18.101 11.867 1.00 0.00 N ATOM 1550 CA SER A 101 119.847 18.905 11.123 1.00 0.00 C ATOM 1551 C SER A 101 121.245 18.630 11.682 1.00 0.00 C ATOM 1552 O SER A 101 122.242 18.964 11.072 1.00 0.00 O ATOM 1553 CB SER A 101 119.522 20.391 11.273 1.00 0.00 C ATOM 1554 OG SER A 101 119.588 20.751 12.646 1.00 0.00 O ATOM 0 H SER A 101 118.406 18.570 12.663 1.00 0.00 H new ATOM 0 HA SER A 101 119.822 18.628 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 101 120.226 20.989 10.694 1.00 0.00 H new ATOM 0 HB3 SER A 101 118.527 20.599 10.878 1.00 0.00 H new ATOM 0 HG SER A 101 119.382 21.704 12.745 1.00 0.00 H new ATOM 1560 N LEU A 102 121.330 18.036 12.844 1.00 0.00 N ATOM 1561 CA LEU A 102 122.668 17.760 13.447 1.00 0.00 C ATOM 1562 C LEU A 102 122.783 16.282 13.832 1.00 0.00 C ATOM 1563 O LEU A 102 121.941 15.739 14.521 1.00 0.00 O ATOM 1564 CB LEU A 102 122.835 18.627 14.695 1.00 0.00 C ATOM 1565 CG LEU A 102 124.233 18.433 15.285 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.289 18.863 14.265 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.369 19.287 16.549 1.00 0.00 C ATOM 0 H LEU A 102 120.532 17.730 13.401 1.00 0.00 H new ATOM 0 HA LEU A 102 123.447 17.993 12.721 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.681 19.676 14.442 1.00 0.00 H new ATOM 0 HB3 LEU A 102 122.079 18.363 15.435 1.00 0.00 H new ATOM 0 HG LEU A 102 124.380 17.382 15.532 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.283 18.723 14.690 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.191 18.259 13.363 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.146 19.914 14.014 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.364 19.152 16.974 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.221 20.337 16.296 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.619 18.980 17.278 1.00 0.00 H new ATOM 1579 N ILE A 103 123.836 15.630 13.408 1.00 0.00 N ATOM 1580 CA ILE A 103 124.033 14.193 13.762 1.00 0.00 C ATOM 1581 C ILE A 103 125.536 13.904 13.821 1.00 0.00 C ATOM 1582 O ILE A 103 126.204 13.852 12.806 1.00 0.00 O ATOM 1583 CB ILE A 103 123.383 13.293 12.710 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.869 13.522 12.702 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.670 11.826 13.042 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.226 12.653 11.621 1.00 0.00 C ATOM 0 H ILE A 103 124.571 16.035 12.828 1.00 0.00 H new ATOM 0 HA ILE A 103 123.571 13.991 14.728 1.00 0.00 H new ATOM 0 HB ILE A 103 123.793 13.533 11.729 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.449 13.277 13.677 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.651 14.574 12.515 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.206 11.186 12.292 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.747 11.658 13.047 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.261 11.589 14.024 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.148 12.817 11.616 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.638 12.919 10.648 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.433 11.603 11.828 1.00 0.00 H new ATOM 1598 N SER A 104 126.078 13.717 14.995 1.00 0.00 N ATOM 1599 CA SER A 104 127.541 13.438 15.106 1.00 0.00 C ATOM 1600 C SER A 104 127.759 12.060 15.735 1.00 0.00 C ATOM 1601 O SER A 104 128.877 11.615 15.901 1.00 0.00 O ATOM 1602 CB SER A 104 128.192 14.507 15.984 1.00 0.00 C ATOM 1603 OG SER A 104 127.765 14.334 17.329 1.00 0.00 O ATOM 0 H SER A 104 125.573 13.745 15.881 1.00 0.00 H new ATOM 0 HA SER A 104 127.990 13.454 14.113 1.00 0.00 H new ATOM 0 HB2 SER A 104 129.278 14.433 15.923 1.00 0.00 H new ATOM 0 HB3 SER A 104 127.920 15.501 15.629 1.00 0.00 H new ATOM 0 HG SER A 104 128.182 15.017 17.895 1.00 0.00 H new ATOM 1609 N ASP A 105 126.704 11.383 16.092 1.00 0.00 N ATOM 1610 CA ASP A 105 126.856 10.038 16.716 1.00 0.00 C ATOM 1611 C ASP A 105 127.043 8.974 15.631 1.00 0.00 C ATOM 1612 O ASP A 105 126.610 9.135 14.510 1.00 0.00 O ATOM 1613 CB ASP A 105 125.606 9.717 17.539 1.00 0.00 C ATOM 1614 CG ASP A 105 124.359 10.096 16.741 1.00 0.00 C ATOM 1615 OD1 ASP A 105 124.513 10.551 15.620 1.00 0.00 O ATOM 1616 OD2 ASP A 105 123.270 9.926 17.263 1.00 0.00 O ATOM 0 H ASP A 105 125.742 11.703 15.979 1.00 0.00 H new ATOM 0 HA ASP A 105 127.732 10.040 17.365 1.00 0.00 H new ATOM 0 HB2 ASP A 105 125.583 8.656 17.787 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.628 10.264 18.482 1.00 0.00 H new ATOM 1621 N ASN A 106 127.678 7.884 15.967 1.00 0.00 N ATOM 1622 CA ASN A 106 127.892 6.794 14.972 1.00 0.00 C ATOM 1623 C ASN A 106 126.786 5.749 15.131 1.00 0.00 C ATOM 1624 O ASN A 106 127.011 4.566 14.970 1.00 0.00 O ATOM 1625 CB ASN A 106 129.248 6.130 15.219 1.00 0.00 C ATOM 1626 CG ASN A 106 130.374 7.085 14.818 1.00 0.00 C ATOM 1627 OD1 ASN A 106 130.160 8.019 14.071 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.576 6.886 15.288 1.00 0.00 N ATOM 0 H ASN A 106 128.060 7.701 16.895 1.00 0.00 H new ATOM 0 HA ASN A 106 127.871 7.211 13.965 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.345 5.860 16.271 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.321 5.206 14.645 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.336 7.515 15.028 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.755 6.102 15.915 1.00 0.00 H new ATOM 1635 N TRP A 107 125.599 6.171 15.475 1.00 0.00 N ATOM 1636 CA TRP A 107 124.492 5.192 15.683 1.00 0.00 C ATOM 1637 C TRP A 107 124.177 4.459 14.378 1.00 0.00 C ATOM 1638 O TRP A 107 124.419 4.949 13.293 1.00 0.00 O ATOM 1639 CB TRP A 107 123.240 5.929 16.169 1.00 0.00 C ATOM 1640 CG TRP A 107 122.736 6.844 15.097 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.382 7.943 14.645 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.488 6.768 14.348 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.615 8.542 13.664 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.437 7.857 13.443 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.406 5.868 14.362 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.354 8.046 12.586 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.313 6.058 13.499 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.287 7.143 12.614 1.00 0.00 C ATOM 0 H TRP A 107 125.348 7.149 15.621 1.00 0.00 H new ATOM 0 HA TRP A 107 124.804 4.463 16.431 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.466 5.210 16.438 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.471 6.501 17.068 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.341 8.295 14.994 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.886 9.388 13.163 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.416 5.027 15.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.339 8.884 11.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.487 5.362 13.519 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.444 7.282 11.954 1.00 0.00 H new ATOM 1659 N LYS A 108 123.645 3.270 14.490 1.00 0.00 N ATOM 1660 CA LYS A 108 123.311 2.465 13.282 1.00 0.00 C ATOM 1661 C LYS A 108 122.007 1.707 13.539 1.00 0.00 C ATOM 1662 O LYS A 108 121.703 1.340 14.657 1.00 0.00 O ATOM 1663 CB LYS A 108 124.439 1.464 13.011 1.00 0.00 C ATOM 1664 CG LYS A 108 124.068 0.581 11.817 1.00 0.00 C ATOM 1665 CD LYS A 108 125.210 -0.398 11.528 1.00 0.00 C ATOM 1666 CE LYS A 108 124.844 -1.277 10.331 1.00 0.00 C ATOM 1667 NZ LYS A 108 125.986 -2.181 10.010 1.00 0.00 N ATOM 0 H LYS A 108 123.426 2.819 15.378 1.00 0.00 H new ATOM 0 HA LYS A 108 123.195 3.120 12.418 1.00 0.00 H new ATOM 0 HB2 LYS A 108 125.369 1.995 12.808 1.00 0.00 H new ATOM 0 HB3 LYS A 108 124.610 0.847 13.893 1.00 0.00 H new ATOM 0 HG2 LYS A 108 123.150 0.033 12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.875 1.199 10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 108 126.129 0.151 11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 108 125.400 -1.019 12.403 1.00 0.00 H new ATOM 0 HE2 LYS A 108 123.954 -1.864 10.556 1.00 0.00 H new ATOM 0 HE3 LYS A 108 124.606 -0.655 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 125.737 -2.779 9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 126.825 -1.612 9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 126.193 -2.784 10.832 1.00 0.00 H new ATOM 1681 N PHE A 109 121.240 1.455 12.515 1.00 0.00 N ATOM 1682 CA PHE A 109 119.960 0.709 12.713 1.00 0.00 C ATOM 1683 C PHE A 109 119.592 0.004 11.403 1.00 0.00 C ATOM 1684 O PHE A 109 120.133 0.310 10.359 1.00 0.00 O ATOM 1685 CB PHE A 109 118.851 1.681 13.123 1.00 0.00 C ATOM 1686 CG PHE A 109 118.428 2.522 11.942 1.00 0.00 C ATOM 1687 CD1 PHE A 109 119.131 3.687 11.621 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.323 2.136 11.174 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.732 4.468 10.531 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.921 2.917 10.085 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.625 4.083 9.763 1.00 0.00 C ATOM 0 H PHE A 109 121.440 1.730 11.554 1.00 0.00 H new ATOM 0 HA PHE A 109 120.079 -0.032 13.504 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.996 1.126 13.508 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.202 2.325 13.929 1.00 0.00 H new ATOM 0 HD1 PHE A 109 119.983 3.984 12.215 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.781 1.235 11.422 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.277 5.367 10.282 1.00 0.00 H new ATOM 0 HE2 PHE A 109 116.068 2.620 9.493 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.315 4.686 8.922 1.00 0.00 H new ATOM 1701 N PHE A 110 118.699 -0.952 11.441 1.00 0.00 N ATOM 1702 CA PHE A 110 118.349 -1.664 10.177 1.00 0.00 C ATOM 1703 C PHE A 110 116.935 -2.258 10.233 1.00 0.00 C ATOM 1704 O PHE A 110 116.374 -2.483 11.289 1.00 0.00 O ATOM 1705 CB PHE A 110 119.360 -2.789 9.951 1.00 0.00 C ATOM 1706 CG PHE A 110 119.604 -3.522 11.252 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.505 -3.000 12.190 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.937 -4.724 11.519 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.737 -3.678 13.394 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.170 -5.402 12.723 1.00 0.00 C ATOM 1711 CZ PHE A 110 120.071 -4.880 13.659 1.00 0.00 C ATOM 0 H PHE A 110 118.205 -1.266 12.277 1.00 0.00 H new ATOM 0 HA PHE A 110 118.378 -0.945 9.358 1.00 0.00 H new ATOM 0 HB2 PHE A 110 118.986 -3.481 9.197 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.296 -2.379 9.572 1.00 0.00 H new ATOM 0 HD1 PHE A 110 121.021 -2.074 11.985 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.243 -5.128 10.797 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.429 -3.273 14.117 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.654 -6.328 12.929 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.252 -5.405 14.585 1.00 0.00 H new ATOM 1721 N CYS A 111 116.380 -2.538 9.079 1.00 0.00 N ATOM 1722 CA CYS A 111 115.019 -3.145 9.002 1.00 0.00 C ATOM 1723 C CYS A 111 115.127 -4.449 8.212 1.00 0.00 C ATOM 1724 O CYS A 111 116.045 -4.625 7.440 1.00 0.00 O ATOM 1725 CB CYS A 111 114.067 -2.195 8.271 1.00 0.00 C ATOM 1726 SG CYS A 111 113.680 -0.773 9.325 1.00 0.00 S ATOM 0 H CYS A 111 116.821 -2.368 8.175 1.00 0.00 H new ATOM 0 HA CYS A 111 114.635 -3.330 10.005 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.522 -1.855 7.341 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.150 -2.720 8.004 1.00 0.00 H new ATOM 1731 N VAL A 112 114.224 -5.375 8.403 1.00 0.00 N ATOM 1732 CA VAL A 112 114.335 -6.665 7.657 1.00 0.00 C ATOM 1733 C VAL A 112 113.021 -7.032 6.958 1.00 0.00 C ATOM 1734 O VAL A 112 111.944 -6.882 7.499 1.00 0.00 O ATOM 1735 CB VAL A 112 114.711 -7.778 8.632 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.535 -9.137 7.949 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.169 -7.609 9.060 1.00 0.00 C ATOM 0 H VAL A 112 113.426 -5.297 9.033 1.00 0.00 H new ATOM 0 HA VAL A 112 115.103 -6.547 6.893 1.00 0.00 H new ATOM 0 HB VAL A 112 114.066 -7.726 9.509 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.803 -9.932 8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.496 -9.259 7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.180 -9.190 7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.438 -8.403 9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.814 -7.661 8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.296 -6.642 9.546 1.00 0.00 H new ATOM 1747 N CYS A 113 113.128 -7.562 5.765 1.00 0.00 N ATOM 1748 CA CYS A 113 111.926 -8.015 5.000 1.00 0.00 C ATOM 1749 C CYS A 113 112.152 -9.485 4.636 1.00 0.00 C ATOM 1750 O CYS A 113 113.225 -9.853 4.199 1.00 0.00 O ATOM 1751 CB CYS A 113 111.784 -7.191 3.719 1.00 0.00 C ATOM 1752 SG CYS A 113 111.324 -5.487 4.125 1.00 0.00 S ATOM 0 H CYS A 113 114.015 -7.702 5.280 1.00 0.00 H new ATOM 0 HA CYS A 113 111.021 -7.890 5.594 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.723 -7.201 3.165 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.028 -7.636 3.073 1.00 0.00 H new ATOM 1757 N SER A 114 111.189 -10.348 4.830 1.00 0.00 N ATOM 1758 CA SER A 114 111.442 -11.782 4.498 1.00 0.00 C ATOM 1759 C SER A 114 110.156 -12.612 4.559 1.00 0.00 C ATOM 1760 O SER A 114 109.088 -12.125 4.876 1.00 0.00 O ATOM 1761 CB SER A 114 112.434 -12.350 5.510 1.00 0.00 C ATOM 1762 OG SER A 114 111.899 -12.197 6.819 1.00 0.00 O ATOM 0 H SER A 114 110.261 -10.131 5.194 1.00 0.00 H new ATOM 0 HA SER A 114 111.836 -11.833 3.483 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.623 -13.403 5.301 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.390 -11.833 5.431 1.00 0.00 H new ATOM 0 HG SER A 114 112.530 -12.561 7.475 1.00 0.00 H new ATOM 1768 N LYS A 115 110.282 -13.882 4.266 1.00 0.00 N ATOM 1769 CA LYS A 115 109.121 -14.814 4.317 1.00 0.00 C ATOM 1770 C LYS A 115 109.658 -16.211 4.633 1.00 0.00 C ATOM 1771 O LYS A 115 110.834 -16.476 4.483 1.00 0.00 O ATOM 1772 CB LYS A 115 108.394 -14.856 2.969 1.00 0.00 C ATOM 1773 CG LYS A 115 107.583 -13.576 2.765 1.00 0.00 C ATOM 1774 CD LYS A 115 106.512 -13.822 1.696 1.00 0.00 C ATOM 1775 CE LYS A 115 107.180 -14.100 0.347 1.00 0.00 C ATOM 1776 NZ LYS A 115 106.138 -14.193 -0.715 1.00 0.00 N ATOM 0 H LYS A 115 111.161 -14.318 3.988 1.00 0.00 H new ATOM 0 HA LYS A 115 108.417 -14.476 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 115 109.117 -14.969 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.734 -15.723 2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 115 107.116 -13.274 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.239 -12.761 2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.886 -14.667 1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.858 -12.953 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 115 107.887 -13.305 0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 115 107.749 -15.029 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 106.571 -14.531 -1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 105.397 -14.859 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 105.718 -13.255 -0.872 1.00 0.00 H new ATOM 1790 N ASP A 116 108.821 -17.111 5.063 1.00 0.00 N ATOM 1791 CA ASP A 116 109.313 -18.485 5.366 1.00 0.00 C ATOM 1792 C ASP A 116 109.963 -19.077 4.107 1.00 0.00 C ATOM 1793 O ASP A 116 109.613 -18.733 2.995 1.00 0.00 O ATOM 1794 CB ASP A 116 108.138 -19.364 5.799 1.00 0.00 C ATOM 1795 CG ASP A 116 107.673 -18.941 7.194 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.388 -18.185 7.831 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.610 -19.380 7.602 1.00 0.00 O ATOM 0 H ASP A 116 107.824 -16.958 5.217 1.00 0.00 H new ATOM 0 HA ASP A 116 110.047 -18.443 6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 116 107.318 -19.271 5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.437 -20.412 5.806 1.00 0.00 H new ATOM 1802 N ASN A 117 110.904 -19.969 4.273 1.00 0.00 N ATOM 1803 CA ASN A 117 111.568 -20.586 3.085 1.00 0.00 C ATOM 1804 C ASN A 117 111.918 -19.496 2.065 1.00 0.00 C ATOM 1805 O ASN A 117 111.450 -19.521 0.946 1.00 0.00 O ATOM 1806 CB ASN A 117 110.619 -21.599 2.441 1.00 0.00 C ATOM 1807 CG ASN A 117 111.366 -22.391 1.367 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.384 -21.950 0.868 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.903 -23.550 0.986 1.00 0.00 N ATOM 0 H ASN A 117 111.242 -20.297 5.178 1.00 0.00 H new ATOM 0 HA ASN A 117 112.481 -21.090 3.403 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.225 -22.276 3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.766 -21.084 2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.395 -24.085 0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 117 110.050 -23.921 1.404 1.00 0.00 H new ATOM 1816 N GLU A 118 112.745 -18.552 2.431 1.00 0.00 N ATOM 1817 CA GLU A 118 113.113 -17.468 1.471 1.00 0.00 C ATOM 1818 C GLU A 118 114.330 -16.694 1.989 1.00 0.00 C ATOM 1819 O GLU A 118 114.505 -16.515 3.178 1.00 0.00 O ATOM 1820 CB GLU A 118 111.939 -16.492 1.329 1.00 0.00 C ATOM 1821 CG GLU A 118 110.859 -17.089 0.422 1.00 0.00 C ATOM 1822 CD GLU A 118 110.014 -15.961 -0.171 1.00 0.00 C ATOM 1823 OE1 GLU A 118 110.268 -14.817 0.168 1.00 0.00 O ATOM 1824 OE2 GLU A 118 109.133 -16.257 -0.962 1.00 0.00 O ATOM 0 H GLU A 118 113.181 -18.484 3.351 1.00 0.00 H new ATOM 0 HA GLU A 118 113.349 -17.919 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.519 -16.273 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.291 -15.547 0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 118 111.320 -17.671 -0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 118 110.227 -17.771 0.991 1.00 0.00 H new ATOM 1831 N LYS A 119 115.170 -16.221 1.102 1.00 0.00 N ATOM 1832 CA LYS A 119 116.368 -15.445 1.543 1.00 0.00 C ATOM 1833 C LYS A 119 115.903 -14.201 2.311 1.00 0.00 C ATOM 1834 O LYS A 119 114.940 -13.558 1.940 1.00 0.00 O ATOM 1835 CB LYS A 119 117.175 -15.010 0.313 1.00 0.00 C ATOM 1836 CG LYS A 119 117.757 -16.242 -0.386 1.00 0.00 C ATOM 1837 CD LYS A 119 118.564 -15.801 -1.611 1.00 0.00 C ATOM 1838 CE LYS A 119 119.162 -17.029 -2.301 1.00 0.00 C ATOM 1839 NZ LYS A 119 119.948 -16.597 -3.492 1.00 0.00 N ATOM 0 H LYS A 119 115.077 -16.339 0.093 1.00 0.00 H new ATOM 0 HA LYS A 119 116.992 -16.065 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.536 -14.457 -0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.978 -14.337 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 119 118.395 -16.796 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 119 116.954 -16.914 -0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.923 -15.258 -2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 119 119.358 -15.118 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 119 119.803 -17.573 -1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 119 118.368 -17.712 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 119.445 -16.874 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 120.065 -15.564 -3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 120.883 -17.052 -3.474 1.00 0.00 H new ATOM 1853 N LYS A 120 116.571 -13.862 3.383 1.00 0.00 N ATOM 1854 CA LYS A 120 116.152 -12.667 4.177 1.00 0.00 C ATOM 1855 C LYS A 120 116.783 -11.396 3.599 1.00 0.00 C ATOM 1856 O LYS A 120 117.922 -11.393 3.170 1.00 0.00 O ATOM 1857 CB LYS A 120 116.582 -12.844 5.637 1.00 0.00 C ATOM 1858 CG LYS A 120 118.109 -12.887 5.730 1.00 0.00 C ATOM 1859 CD LYS A 120 118.530 -13.015 7.197 1.00 0.00 C ATOM 1860 CE LYS A 120 118.277 -14.445 7.684 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.022 -14.677 8.954 1.00 0.00 N ATOM 0 H LYS A 120 117.386 -14.359 3.743 1.00 0.00 H new ATOM 0 HA LYS A 120 115.067 -12.572 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.195 -12.023 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 120 116.159 -13.764 6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 120 118.495 -13.729 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.536 -11.983 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 120 119.585 -12.765 7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 120 117.970 -12.308 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 120 117.210 -14.603 7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 120 118.597 -15.160 6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 118.850 -15.648 9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 120.040 -14.542 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 118.696 -14.003 9.676 1.00 0.00 H new ATOM 1875 N LEU A 121 116.049 -10.312 3.593 1.00 0.00 N ATOM 1876 CA LEU A 121 116.594 -9.030 3.055 1.00 0.00 C ATOM 1877 C LEU A 121 116.831 -8.061 4.217 1.00 0.00 C ATOM 1878 O LEU A 121 115.918 -7.723 4.946 1.00 0.00 O ATOM 1879 CB LEU A 121 115.577 -8.419 2.082 1.00 0.00 C ATOM 1880 CG LEU A 121 115.250 -9.424 0.975 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.129 -8.869 0.093 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.494 -9.663 0.117 1.00 0.00 C ATOM 0 H LEU A 121 115.091 -10.260 3.940 1.00 0.00 H new ATOM 0 HA LEU A 121 117.533 -9.215 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.668 -8.145 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 121 115.980 -7.504 1.648 1.00 0.00 H new ATOM 0 HG LEU A 121 114.930 -10.363 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 121 113.897 -9.586 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.240 -8.697 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.450 -7.929 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.260 -10.379 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 121 116.814 -8.722 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.296 -10.059 0.741 1.00 0.00 H new ATOM 1894 N VAL A 122 118.044 -7.613 4.407 1.00 0.00 N ATOM 1895 CA VAL A 122 118.324 -6.676 5.539 1.00 0.00 C ATOM 1896 C VAL A 122 118.622 -5.267 5.017 1.00 0.00 C ATOM 1897 O VAL A 122 119.430 -5.074 4.133 1.00 0.00 O ATOM 1898 CB VAL A 122 119.538 -7.179 6.330 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.003 -6.092 7.303 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.155 -8.440 7.119 1.00 0.00 C ATOM 0 H VAL A 122 118.851 -7.853 3.831 1.00 0.00 H new ATOM 0 HA VAL A 122 117.443 -6.638 6.180 1.00 0.00 H new ATOM 0 HB VAL A 122 120.345 -7.416 5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.866 -6.451 7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.280 -5.198 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.195 -5.852 7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.020 -8.795 7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.346 -8.205 7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.828 -9.216 6.428 1.00 0.00 H new ATOM 1910 N PHE A 123 117.980 -4.280 5.585 1.00 0.00 N ATOM 1911 CA PHE A 123 118.221 -2.867 5.166 1.00 0.00 C ATOM 1912 C PHE A 123 118.966 -2.164 6.307 1.00 0.00 C ATOM 1913 O PHE A 123 118.485 -2.121 7.418 1.00 0.00 O ATOM 1914 CB PHE A 123 116.870 -2.188 4.919 1.00 0.00 C ATOM 1915 CG PHE A 123 117.064 -0.705 4.714 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.691 -0.235 3.556 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.606 0.199 5.679 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.863 1.141 3.362 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.778 1.575 5.487 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.406 2.046 4.328 1.00 0.00 C ATOM 0 H PHE A 123 117.292 -4.394 6.329 1.00 0.00 H new ATOM 0 HA PHE A 123 118.812 -2.820 4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.390 -2.624 4.043 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.207 -2.362 5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.043 -0.933 2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.120 -0.165 6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.348 1.504 2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.426 2.273 6.233 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.538 3.107 4.179 1.00 0.00 H new ATOM 1930 N THR A 124 120.143 -1.637 6.064 1.00 0.00 N ATOM 1931 CA THR A 124 120.888 -0.980 7.182 1.00 0.00 C ATOM 1932 C THR A 124 121.533 0.339 6.745 1.00 0.00 C ATOM 1933 O THR A 124 122.066 0.467 5.655 1.00 0.00 O ATOM 1934 CB THR A 124 121.973 -1.935 7.684 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.413 -1.511 8.965 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.153 -1.933 6.709 1.00 0.00 C ATOM 0 H THR A 124 120.612 -1.633 5.158 1.00 0.00 H new ATOM 0 HA THR A 124 120.176 -0.752 7.976 1.00 0.00 H new ATOM 0 HB THR A 124 121.567 -2.944 7.752 1.00 0.00 H new ATOM 0 HG1 THR A 124 121.788 -0.846 9.322 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.924 -2.614 7.069 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.813 -2.258 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.564 -0.926 6.637 1.00 0.00 H new ATOM 1944 N VAL A 125 121.529 1.308 7.627 1.00 0.00 N ATOM 1945 CA VAL A 125 122.175 2.620 7.331 1.00 0.00 C ATOM 1946 C VAL A 125 122.972 3.048 8.570 1.00 0.00 C ATOM 1947 O VAL A 125 122.688 2.619 9.676 1.00 0.00 O ATOM 1948 CB VAL A 125 121.103 3.666 7.008 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.061 3.056 6.068 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.418 4.119 8.299 1.00 0.00 C ATOM 0 H VAL A 125 121.100 1.243 8.550 1.00 0.00 H new ATOM 0 HA VAL A 125 122.838 2.531 6.471 1.00 0.00 H new ATOM 0 HB VAL A 125 121.572 4.524 6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.298 3.800 5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.546 2.737 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.595 2.196 6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.656 4.863 8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 125 119.951 3.261 8.783 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.158 4.556 8.970 1.00 0.00 H new ATOM 1960 N GLU A 126 123.967 3.881 8.407 1.00 0.00 N ATOM 1961 CA GLU A 126 124.775 4.310 9.590 1.00 0.00 C ATOM 1962 C GLU A 126 124.983 5.826 9.567 1.00 0.00 C ATOM 1963 O GLU A 126 124.934 6.456 8.529 1.00 0.00 O ATOM 1964 CB GLU A 126 126.138 3.611 9.546 1.00 0.00 C ATOM 1965 CG GLU A 126 126.950 3.997 10.783 1.00 0.00 C ATOM 1966 CD GLU A 126 128.289 3.254 10.770 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.411 2.310 10.009 1.00 0.00 O ATOM 1968 OE2 GLU A 126 129.166 3.644 11.522 1.00 0.00 O ATOM 0 H GLU A 126 124.254 4.281 7.514 1.00 0.00 H new ATOM 0 HA GLU A 126 124.245 4.039 10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.003 2.530 9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.676 3.896 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 126 127.120 5.074 10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 126 126.394 3.750 11.687 1.00 0.00 H new ATOM 1975 N ALA A 127 125.225 6.413 10.710 1.00 0.00 N ATOM 1976 CA ALA A 127 125.445 7.884 10.765 1.00 0.00 C ATOM 1977 C ALA A 127 126.029 8.261 12.129 1.00 0.00 C ATOM 1978 O ALA A 127 126.767 9.231 12.189 1.00 0.00 O ATOM 1979 CB ALA A 127 124.112 8.609 10.565 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.728 7.570 13.091 1.00 0.00 O ATOM 0 H ALA A 127 125.279 5.934 11.609 1.00 0.00 H new ATOM 0 HA ALA A 127 126.139 8.176 9.977 1.00 0.00 H new ATOM 0 HB1 ALA A 127 124.274 9.686 10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 127 123.694 8.341 9.595 1.00 0.00 H new ATOM 0 HB3 ALA A 127 123.417 8.317 11.352 1.00 0.00 H new TER 1986 ALA A 127