USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 839 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 87 SER OG : rot 180:sc=-0.00101 USER MOD Set 1.2: A 121 MET CE :methyl 171:sc= -0.0726 (180deg=-0.141) USER MOD Set 2.1: A 71 SER OG : rot 79:sc= 2.4 USER MOD Set 2.2: A 73 TYR OH : rot 15:sc= 1.23 USER MOD Set 2.3: A 83 THR OG1 : rot 85:sc= 1.2 USER MOD Set 2.4: A 86 THR OG1 : rot 45:sc= 0.755 USER MOD Set 3.1: A 57 ASN : amide:sc= 0.919 K(o=1.3,f=-1.3) USER MOD Set 3.2: A 72 GLN : amide:sc= 0.403 K(o=1.3,f=-1.3) USER MOD Set 4.1: A 42 GLN : amide:sc= 0.126 K(o=0.29,f=1.2) USER MOD Set 4.2: A 44 SER OG : rot 180:sc= 0.166 USER MOD Set 5.1: A 41 SER OG : rot 57:sc= 2.1 USER MOD Set 5.2: A 43 TYR OH : rot 17:sc= 0.617 USER MOD Set 5.3: A 53 THR OG1 : rot 90:sc= 0.949 USER MOD Set 6.1: A 16 GLN : amide:sc= 0.99 K(o=2.6,f=0.75) USER MOD Set 6.2: A 31 GLN : amide:sc= 1.6 K(o=2.6,f=-0.48) USER MOD Set 7.1: A 14 ASN : amide:sc= 0.902 K(o=2.7,f=0.31) USER MOD Set 7.2: A 29 ASN : amide:sc= 1.85 K(o=2.7,f=-0.95) USER MOD Set 8.1: A 12 THR OG1 : rot -71:sc= 1.82 USER MOD Set 8.2: A 15 SER OG : rot 136:sc= 1.7 USER MOD Single : A 1 ASP N :NH3+ -152:sc= 0.162 (180deg=0.0236) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 6 ASN : amide:sc= 1.34 K(o=1.3,f=-10!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.333 K(o=-0.33,f=-0.92) USER MOD Single : A 9 SER OG : rot 77:sc= 0.589 USER MOD Single : A 10 GLN : amide:sc= 1.32 K(o=1.3,f=-0.35) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 73:sc= 1.51 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 73:sc= 0.682 USER MOD Single : A 24 ASN : amide:sc= 0.806 K(o=0.81,f=-0.055) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 82:sc= 1.97 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 97:sc= 1.35 USER MOD Single : A 39 THR OG1 : rot 79:sc= 0.766 USER MOD Single : A 47 ASN : amide:sc= -0.0371 K(o=-0.037,f=-1.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 78:sc= 1.82 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 63:sc= 1.64 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 78:sc= 1.5 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 85:sc= 0.541 USER MOD Single : A 74 ASN : amide:sc= 1.06 K(o=1.1,f=-0.007) USER MOD Single : A 77 TYR OH : rot 130:sc= -0.124 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 65:sc= 1.75 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 130:sc= 0.832 USER MOD Single : A 97 THR OG1 : rot 85:sc= 1.18 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= 1.14 (180deg=1.06) USER MOD Single : A 114 SER OG : rot 3:sc= 0.498 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.749 -11.507 -0.369 1.00 0.00 N ATOM 2 CA ASP A 1 0.083 -10.721 -1.312 1.00 0.00 C ATOM 3 C ASP A 1 1.006 -9.763 -0.553 1.00 0.00 C ATOM 4 O ASP A 1 0.778 -9.457 0.620 1.00 0.00 O ATOM 5 CB ASP A 1 -0.782 -9.932 -2.309 1.00 0.00 C ATOM 6 CG ASP A 1 -1.495 -8.760 -1.620 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.352 -9.013 -0.745 1.00 0.00 O ATOM 8 OD2 ASP A 1 -1.209 -7.588 -1.952 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.992 -12.422 -0.800 1.00 0.00 H new ATOM 0 H2 ASP A 1 -0.218 -11.669 0.510 1.00 0.00 H new ATOM 0 H3 ASP A 1 -1.621 -10.982 -0.155 1.00 0.00 H new ATOM 0 HA ASP A 1 0.690 -11.430 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -0.157 -9.555 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -1.520 -10.596 -2.759 1.00 0.00 H new ATOM 15 N GLY A 2 2.056 -9.276 -1.219 1.00 0.00 N ATOM 16 CA GLY A 2 3.022 -8.337 -0.664 1.00 0.00 C ATOM 17 C GLY A 2 4.030 -7.924 -1.736 1.00 0.00 C ATOM 18 O GLY A 2 3.995 -8.434 -2.860 1.00 0.00 O ATOM 0 H GLY A 2 2.259 -9.534 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.506 -7.457 -0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.542 -8.794 0.178 1.00 0.00 H new ATOM 22 N THR A 3 4.920 -6.995 -1.389 1.00 0.00 N ATOM 23 CA THR A 3 5.979 -6.488 -2.254 1.00 0.00 C ATOM 24 C THR A 3 7.087 -5.912 -1.356 1.00 0.00 C ATOM 25 O THR A 3 6.966 -5.943 -0.126 1.00 0.00 O ATOM 26 CB THR A 3 5.378 -5.481 -3.263 1.00 0.00 C ATOM 27 OG1 THR A 3 6.323 -5.167 -4.268 1.00 0.00 O ATOM 28 CG2 THR A 3 4.871 -4.183 -2.617 1.00 0.00 C ATOM 0 H THR A 3 4.922 -6.561 -0.466 1.00 0.00 H new ATOM 0 HA THR A 3 6.435 -7.271 -2.860 1.00 0.00 H new ATOM 0 HB THR A 3 4.510 -5.978 -3.696 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.929 -4.530 -4.900 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.464 -3.528 -3.387 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.092 -4.418 -1.892 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.697 -3.681 -2.113 1.00 0.00 H new ATOM 36 N CYS A 4 8.147 -5.374 -1.957 1.00 0.00 N ATOM 37 CA CYS A 4 9.299 -4.786 -1.282 1.00 0.00 C ATOM 38 C CYS A 4 9.663 -3.459 -1.958 1.00 0.00 C ATOM 39 O CYS A 4 9.171 -3.150 -3.046 1.00 0.00 O ATOM 40 CB CYS A 4 10.512 -5.727 -1.379 1.00 0.00 C ATOM 41 SG CYS A 4 10.300 -7.441 -0.834 1.00 0.00 S ATOM 0 H CYS A 4 8.228 -5.335 -2.973 1.00 0.00 H new ATOM 0 HA CYS A 4 9.043 -4.624 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 4 10.839 -5.745 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 4 11.323 -5.289 -0.797 1.00 0.00 H new ATOM 46 N VAL A 5 10.602 -2.726 -1.359 1.00 0.00 N ATOM 47 CA VAL A 5 11.240 -1.545 -1.936 1.00 0.00 C ATOM 48 C VAL A 5 12.751 -1.839 -1.946 1.00 0.00 C ATOM 49 O VAL A 5 13.577 -1.100 -1.404 1.00 0.00 O ATOM 50 CB VAL A 5 10.797 -0.259 -1.190 1.00 0.00 C ATOM 51 CG1 VAL A 5 11.208 1.005 -1.962 1.00 0.00 C ATOM 52 CG2 VAL A 5 9.274 -0.195 -0.974 1.00 0.00 C ATOM 0 H VAL A 5 10.951 -2.947 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 5 10.934 -1.344 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 5 11.298 -0.299 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.883 1.889 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.292 1.026 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 5 10.741 0.998 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.019 0.725 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.769 -0.212 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.954 -1.052 -0.382 1.00 0.00 H new ATOM 62 N ASN A 6 13.122 -2.992 -2.516 1.00 0.00 N ATOM 63 CA ASN A 6 14.523 -3.356 -2.685 1.00 0.00 C ATOM 64 C ASN A 6 15.118 -2.423 -3.737 1.00 0.00 C ATOM 65 O ASN A 6 14.711 -2.460 -4.901 1.00 0.00 O ATOM 66 CB ASN A 6 14.685 -4.829 -3.097 1.00 0.00 C ATOM 67 CG ASN A 6 16.159 -5.175 -3.299 1.00 0.00 C ATOM 68 OD1 ASN A 6 17.040 -4.399 -2.951 1.00 0.00 O ATOM 69 ND2 ASN A 6 16.472 -6.331 -3.855 1.00 0.00 N ATOM 0 H ASN A 6 12.464 -3.688 -2.867 1.00 0.00 H new ATOM 0 HA ASN A 6 15.049 -3.247 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.256 -5.475 -2.331 1.00 0.00 H new ATOM 0 HB3 ASN A 6 14.133 -5.017 -4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 6 17.451 -6.581 -3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 6 15.735 -6.974 -4.143 1.00 0.00 H new ATOM 76 N THR A 7 16.044 -1.563 -3.317 1.00 0.00 N ATOM 77 CA THR A 7 16.633 -0.543 -4.167 1.00 0.00 C ATOM 78 C THR A 7 17.809 -1.139 -4.959 1.00 0.00 C ATOM 79 O THR A 7 17.865 -0.964 -6.178 1.00 0.00 O ATOM 80 CB THR A 7 17.036 0.645 -3.271 1.00 0.00 C ATOM 81 OG1 THR A 7 15.900 1.117 -2.567 1.00 0.00 O ATOM 82 CG2 THR A 7 17.624 1.821 -4.056 1.00 0.00 C ATOM 0 H THR A 7 16.407 -1.559 -2.364 1.00 0.00 H new ATOM 0 HA THR A 7 15.924 -0.179 -4.911 1.00 0.00 H new ATOM 0 HB THR A 7 17.805 0.271 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.158 1.871 -1.997 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.887 2.624 -3.367 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.517 1.493 -4.588 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.888 2.185 -4.773 1.00 0.00 H new ATOM 90 N ASN A 8 18.734 -1.852 -4.296 1.00 0.00 N ATOM 91 CA ASN A 8 19.954 -2.390 -4.923 1.00 0.00 C ATOM 92 C ASN A 8 20.593 -3.503 -4.072 1.00 0.00 C ATOM 93 O ASN A 8 21.817 -3.649 -4.037 1.00 0.00 O ATOM 94 CB ASN A 8 20.957 -1.243 -5.178 1.00 0.00 C ATOM 95 CG ASN A 8 22.129 -1.670 -6.068 1.00 0.00 C ATOM 96 OD1 ASN A 8 21.986 -2.490 -6.972 1.00 0.00 O ATOM 97 ND2 ASN A 8 23.309 -1.111 -5.850 1.00 0.00 N ATOM 0 H ASN A 8 18.656 -2.073 -3.303 1.00 0.00 H new ATOM 0 HA ASN A 8 19.677 -2.841 -5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 8 20.436 -0.408 -5.646 1.00 0.00 H new ATOM 0 HB3 ASN A 8 21.343 -0.884 -4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 8 24.107 -1.360 -6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 8 23.420 -0.431 -5.098 1.00 0.00 H new ATOM 104 N SER A 9 19.793 -4.226 -3.290 1.00 0.00 N ATOM 105 CA SER A 9 20.247 -5.235 -2.336 1.00 0.00 C ATOM 106 C SER A 9 20.090 -6.638 -2.906 1.00 0.00 C ATOM 107 O SER A 9 19.352 -6.852 -3.874 1.00 0.00 O ATOM 108 CB SER A 9 19.421 -5.134 -1.053 1.00 0.00 C ATOM 109 OG SER A 9 19.415 -3.792 -0.620 1.00 0.00 O ATOM 0 H SER A 9 18.778 -4.122 -3.304 1.00 0.00 H new ATOM 0 HA SER A 9 21.301 -5.053 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.402 -5.477 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.843 -5.778 -0.281 1.00 0.00 H new ATOM 0 HG SER A 9 18.791 -3.274 -1.170 1.00 0.00 H new ATOM 115 N GLN A 10 20.728 -7.599 -2.239 1.00 0.00 N ATOM 116 CA GLN A 10 20.617 -9.012 -2.552 1.00 0.00 C ATOM 117 C GLN A 10 19.913 -9.721 -1.394 1.00 0.00 C ATOM 118 O GLN A 10 20.357 -9.666 -0.243 1.00 0.00 O ATOM 119 CB GLN A 10 21.992 -9.573 -2.946 1.00 0.00 C ATOM 120 CG GLN A 10 23.067 -9.646 -1.853 1.00 0.00 C ATOM 121 CD GLN A 10 24.423 -10.111 -2.404 1.00 0.00 C ATOM 122 OE1 GLN A 10 24.859 -9.708 -3.481 1.00 0.00 O ATOM 123 NE2 GLN A 10 25.133 -10.972 -1.692 1.00 0.00 N ATOM 0 H GLN A 10 21.347 -7.407 -1.451 1.00 0.00 H new ATOM 0 HA GLN A 10 19.992 -9.189 -3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 10 21.845 -10.578 -3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.382 -8.965 -3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 10 23.181 -8.665 -1.392 1.00 0.00 H new ATOM 0 HG3 GLN A 10 22.741 -10.330 -1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 10 24.777 -11.310 -0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 10 26.036 -11.297 -2.037 1.00 0.00 H new ATOM 132 N ILE A 11 18.785 -10.352 -1.711 1.00 0.00 N ATOM 133 CA ILE A 11 17.880 -11.006 -0.776 1.00 0.00 C ATOM 134 C ILE A 11 17.890 -12.473 -1.206 1.00 0.00 C ATOM 135 O ILE A 11 17.568 -12.782 -2.357 1.00 0.00 O ATOM 136 CB ILE A 11 16.463 -10.374 -0.854 1.00 0.00 C ATOM 137 CG1 ILE A 11 16.451 -8.826 -0.859 1.00 0.00 C ATOM 138 CG2 ILE A 11 15.563 -10.924 0.270 1.00 0.00 C ATOM 139 CD1 ILE A 11 17.019 -8.162 0.395 1.00 0.00 C ATOM 0 H ILE A 11 18.463 -10.423 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 11 18.184 -10.895 0.265 1.00 0.00 H new ATOM 0 HB ILE A 11 16.063 -10.669 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 11 17.018 -8.478 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 11 15.424 -8.488 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.575 -10.470 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.474 -12.006 0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.003 -10.686 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.964 -7.078 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 11 16.440 -8.472 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 11 18.059 -8.462 0.526 1.00 0.00 H new ATOM 151 N THR A 12 18.344 -13.358 -0.320 1.00 0.00 N ATOM 152 CA THR A 12 18.509 -14.775 -0.666 1.00 0.00 C ATOM 153 C THR A 12 17.154 -15.486 -0.860 1.00 0.00 C ATOM 154 O THR A 12 16.092 -14.949 -0.531 1.00 0.00 O ATOM 155 CB THR A 12 19.425 -15.482 0.349 1.00 0.00 C ATOM 156 OG1 THR A 12 19.120 -15.106 1.671 1.00 0.00 O ATOM 157 CG2 THR A 12 20.895 -15.139 0.101 1.00 0.00 C ATOM 0 H THR A 12 18.604 -13.124 0.638 1.00 0.00 H new ATOM 0 HA THR A 12 19.007 -14.832 -1.634 1.00 0.00 H new ATOM 0 HB THR A 12 19.257 -16.551 0.217 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.404 -14.180 1.821 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.517 -15.653 0.834 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.178 -15.456 -0.902 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.038 -14.063 0.195 1.00 0.00 H new ATOM 165 N ALA A 13 17.190 -16.711 -1.401 1.00 0.00 N ATOM 166 CA ALA A 13 16.008 -17.477 -1.794 1.00 0.00 C ATOM 167 C ALA A 13 15.030 -17.739 -0.641 1.00 0.00 C ATOM 168 O ALA A 13 13.831 -17.883 -0.888 1.00 0.00 O ATOM 169 CB ALA A 13 16.461 -18.814 -2.390 1.00 0.00 C ATOM 0 H ALA A 13 18.064 -17.205 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 13 15.468 -16.875 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.588 -19.395 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.088 -18.630 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 13 17.030 -19.370 -1.645 1.00 0.00 H new ATOM 175 N ASN A 14 15.521 -17.800 0.603 1.00 0.00 N ATOM 176 CA ASN A 14 14.705 -18.056 1.798 1.00 0.00 C ATOM 177 C ASN A 14 14.631 -16.812 2.695 1.00 0.00 C ATOM 178 O ASN A 14 14.451 -16.905 3.913 1.00 0.00 O ATOM 179 CB ASN A 14 15.218 -19.300 2.540 1.00 0.00 C ATOM 180 CG ASN A 14 14.201 -19.794 3.573 1.00 0.00 C ATOM 181 OD1 ASN A 14 13.023 -19.965 3.272 1.00 0.00 O ATOM 182 ND2 ASN A 14 14.626 -20.059 4.796 1.00 0.00 N ATOM 0 H ASN A 14 16.511 -17.671 0.812 1.00 0.00 H new ATOM 0 HA ASN A 14 13.682 -18.269 1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.425 -20.094 1.822 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.160 -19.066 3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.974 -20.408 5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.606 -19.914 5.038 1.00 0.00 H new ATOM 189 N SER A 15 14.780 -15.637 2.089 1.00 0.00 N ATOM 190 CA SER A 15 14.763 -14.344 2.748 1.00 0.00 C ATOM 191 C SER A 15 13.661 -13.481 2.142 1.00 0.00 C ATOM 192 O SER A 15 13.181 -13.754 1.036 1.00 0.00 O ATOM 193 CB SER A 15 16.133 -13.697 2.576 1.00 0.00 C ATOM 194 OG SER A 15 17.098 -14.481 3.247 1.00 0.00 O ATOM 0 H SER A 15 14.922 -15.562 1.082 1.00 0.00 H new ATOM 0 HA SER A 15 14.556 -14.454 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.382 -13.617 1.518 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.124 -12.684 2.978 1.00 0.00 H new ATOM 0 HG SER A 15 17.887 -14.587 2.676 1.00 0.00 H new ATOM 200 N GLN A 16 13.238 -12.450 2.874 1.00 0.00 N ATOM 201 CA GLN A 16 12.081 -11.634 2.531 1.00 0.00 C ATOM 202 C GLN A 16 12.353 -10.183 2.919 1.00 0.00 C ATOM 203 O GLN A 16 13.104 -9.924 3.859 1.00 0.00 O ATOM 204 CB GLN A 16 10.833 -12.141 3.278 1.00 0.00 C ATOM 205 CG GLN A 16 10.404 -13.572 2.916 1.00 0.00 C ATOM 206 CD GLN A 16 9.243 -14.036 3.793 1.00 0.00 C ATOM 207 OE1 GLN A 16 8.088 -14.072 3.374 1.00 0.00 O ATOM 208 NE2 GLN A 16 9.529 -14.393 5.035 1.00 0.00 N ATOM 0 H GLN A 16 13.699 -12.157 3.735 1.00 0.00 H new ATOM 0 HA GLN A 16 11.902 -11.701 1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.024 -12.094 4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.003 -11.465 3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.110 -13.613 1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.249 -14.250 3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.493 -14.357 5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.786 -14.704 5.660 1.00 0.00 H new ATOM 217 N CYS A 17 11.694 -9.265 2.209 1.00 0.00 N ATOM 218 CA CYS A 17 11.840 -7.814 2.317 1.00 0.00 C ATOM 219 C CYS A 17 10.465 -7.115 2.386 1.00 0.00 C ATOM 220 O CYS A 17 10.332 -5.958 1.982 1.00 0.00 O ATOM 221 CB CYS A 17 12.681 -7.342 1.116 1.00 0.00 C ATOM 222 SG CYS A 17 12.229 -8.027 -0.515 1.00 0.00 S ATOM 0 H CYS A 17 11.006 -9.530 1.504 1.00 0.00 H new ATOM 0 HA CYS A 17 12.349 -7.547 3.243 1.00 0.00 H new ATOM 0 HB2 CYS A 17 12.615 -6.255 1.060 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.724 -7.589 1.312 1.00 0.00 H new ATOM 227 N VAL A 18 9.428 -7.825 2.844 1.00 0.00 N ATOM 228 CA VAL A 18 8.027 -7.402 2.761 1.00 0.00 C ATOM 229 C VAL A 18 7.817 -6.000 3.351 1.00 0.00 C ATOM 230 O VAL A 18 8.232 -5.720 4.479 1.00 0.00 O ATOM 231 CB VAL A 18 7.075 -8.444 3.397 1.00 0.00 C ATOM 232 CG1 VAL A 18 5.682 -8.348 2.754 1.00 0.00 C ATOM 233 CG2 VAL A 18 7.550 -9.900 3.241 1.00 0.00 C ATOM 0 H VAL A 18 9.544 -8.733 3.294 1.00 0.00 H new ATOM 0 HA VAL A 18 7.773 -7.342 1.703 1.00 0.00 H new ATOM 0 HB VAL A 18 7.055 -8.204 4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.020 -9.085 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.276 -7.349 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.761 -8.542 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.831 -10.570 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.634 -10.144 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.523 -10.019 3.718 1.00 0.00 H new ATOM 243 N LYS A 19 7.156 -5.120 2.585 1.00 0.00 N ATOM 244 CA LYS A 19 6.876 -3.708 2.893 1.00 0.00 C ATOM 245 C LYS A 19 8.122 -2.881 3.222 1.00 0.00 C ATOM 246 O LYS A 19 7.978 -1.717 3.594 1.00 0.00 O ATOM 247 CB LYS A 19 5.875 -3.581 4.065 1.00 0.00 C ATOM 248 CG LYS A 19 4.591 -4.415 3.994 1.00 0.00 C ATOM 249 CD LYS A 19 3.725 -4.183 2.746 1.00 0.00 C ATOM 250 CE LYS A 19 3.213 -2.735 2.670 1.00 0.00 C ATOM 251 NZ LYS A 19 2.300 -2.516 1.521 1.00 0.00 N ATOM 0 H LYS A 19 6.779 -5.391 1.677 1.00 0.00 H new ATOM 0 HA LYS A 19 6.448 -3.303 1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.398 -3.846 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.590 -2.532 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.860 -5.470 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.990 -4.202 4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.306 -4.411 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.878 -4.868 2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.693 -2.488 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.062 -2.056 2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.983 -1.526 1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.801 -2.725 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.475 -3.143 1.609 1.00 0.00 H new ATOM 265 N SER A 20 9.326 -3.426 3.082 1.00 0.00 N ATOM 266 CA SER A 20 10.533 -2.815 3.601 1.00 0.00 C ATOM 267 C SER A 20 11.454 -2.346 2.487 1.00 0.00 C ATOM 268 O SER A 20 11.437 -2.879 1.372 1.00 0.00 O ATOM 269 CB SER A 20 11.197 -3.854 4.502 1.00 0.00 C ATOM 270 OG SER A 20 10.313 -4.225 5.549 1.00 0.00 O ATOM 0 H SER A 20 9.487 -4.311 2.601 1.00 0.00 H new ATOM 0 HA SER A 20 10.297 -1.915 4.169 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.471 -4.732 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.119 -3.449 4.920 1.00 0.00 H new ATOM 0 HG SER A 20 9.599 -4.792 5.189 1.00 0.00 H new ATOM 276 N THR A 21 12.268 -1.346 2.804 1.00 0.00 N ATOM 277 CA THR A 21 13.253 -0.790 1.894 1.00 0.00 C ATOM 278 C THR A 21 14.573 -1.494 2.176 1.00 0.00 C ATOM 279 O THR A 21 14.906 -1.739 3.338 1.00 0.00 O ATOM 280 CB THR A 21 13.343 0.734 2.098 1.00 0.00 C ATOM 281 OG1 THR A 21 12.041 1.299 2.095 1.00 0.00 O ATOM 282 CG2 THR A 21 14.169 1.424 1.007 1.00 0.00 C ATOM 0 H THR A 21 12.259 -0.893 3.718 1.00 0.00 H new ATOM 0 HA THR A 21 12.980 -0.949 0.851 1.00 0.00 H new ATOM 0 HB THR A 21 13.837 0.894 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.105 2.268 2.227 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.201 2.497 1.198 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.183 1.025 1.011 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.711 1.242 0.035 1.00 0.00 H new ATOM 290 N ALA A 22 15.340 -1.811 1.134 1.00 0.00 N ATOM 291 CA ALA A 22 16.644 -2.430 1.289 1.00 0.00 C ATOM 292 C ALA A 22 17.615 -1.678 0.399 1.00 0.00 C ATOM 293 O ALA A 22 17.461 -1.685 -0.827 1.00 0.00 O ATOM 294 CB ALA A 22 16.570 -3.928 0.963 1.00 0.00 C ATOM 0 H ALA A 22 15.071 -1.644 0.164 1.00 0.00 H new ATOM 0 HA ALA A 22 16.992 -2.369 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 22 17.556 -4.376 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.866 -4.413 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.236 -4.060 -0.066 1.00 0.00 H new ATOM 300 N THR A 23 18.612 -1.048 1.012 1.00 0.00 N ATOM 301 CA THR A 23 19.504 -0.119 0.331 1.00 0.00 C ATOM 302 C THR A 23 20.910 -0.733 0.294 1.00 0.00 C ATOM 303 O THR A 23 21.690 -0.574 1.232 1.00 0.00 O ATOM 304 CB THR A 23 19.437 1.274 0.995 1.00 0.00 C ATOM 305 OG1 THR A 23 18.166 1.534 1.572 1.00 0.00 O ATOM 306 CG2 THR A 23 19.740 2.389 -0.012 1.00 0.00 C ATOM 0 H THR A 23 18.824 -1.169 2.002 1.00 0.00 H new ATOM 0 HA THR A 23 19.196 0.042 -0.702 1.00 0.00 H new ATOM 0 HB THR A 23 20.192 1.264 1.781 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.062 1.001 2.387 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.684 3.356 0.488 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.741 2.249 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.010 2.357 -0.821 1.00 0.00 H new ATOM 314 N ASN A 24 21.205 -1.458 -0.790 1.00 0.00 N ATOM 315 CA ASN A 24 22.437 -2.212 -1.042 1.00 0.00 C ATOM 316 C ASN A 24 22.904 -3.048 0.154 1.00 0.00 C ATOM 317 O ASN A 24 24.028 -2.908 0.636 1.00 0.00 O ATOM 318 CB ASN A 24 23.528 -1.319 -1.658 1.00 0.00 C ATOM 319 CG ASN A 24 24.712 -2.145 -2.163 1.00 0.00 C ATOM 320 OD1 ASN A 24 25.851 -1.939 -1.754 1.00 0.00 O ATOM 321 ND2 ASN A 24 24.486 -3.081 -3.075 1.00 0.00 N ATOM 0 H ASN A 24 20.547 -1.539 -1.565 1.00 0.00 H new ATOM 0 HA ASN A 24 22.200 -2.962 -1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 24 23.106 -0.744 -2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 24 23.875 -0.602 -0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 24 25.261 -3.635 -3.441 1.00 0.00 H new ATOM 0 HD22 ASN A 24 23.537 -3.247 -3.411 1.00 0.00 H new ATOM 328 N CYS A 25 22.022 -3.924 0.635 1.00 0.00 N ATOM 329 CA CYS A 25 22.280 -4.852 1.725 1.00 0.00 C ATOM 330 C CYS A 25 22.487 -6.262 1.171 1.00 0.00 C ATOM 331 O CYS A 25 22.229 -6.523 -0.007 1.00 0.00 O ATOM 332 CB CYS A 25 21.090 -4.824 2.693 1.00 0.00 C ATOM 333 SG CYS A 25 20.902 -3.262 3.585 1.00 0.00 S ATOM 0 H CYS A 25 21.077 -4.006 0.260 1.00 0.00 H new ATOM 0 HA CYS A 25 23.185 -4.558 2.257 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.176 -5.023 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.204 -5.632 3.416 1.00 0.00 H new ATOM 338 N TYR A 26 22.888 -7.187 2.041 1.00 0.00 N ATOM 339 CA TYR A 26 22.939 -8.616 1.764 1.00 0.00 C ATOM 340 C TYR A 26 22.204 -9.272 2.926 1.00 0.00 C ATOM 341 O TYR A 26 22.565 -9.076 4.089 1.00 0.00 O ATOM 342 CB TYR A 26 24.401 -9.074 1.632 1.00 0.00 C ATOM 343 CG TYR A 26 24.698 -10.563 1.449 1.00 0.00 C ATOM 344 CD1 TYR A 26 23.710 -11.525 1.142 1.00 0.00 C ATOM 345 CD2 TYR A 26 26.038 -10.982 1.552 1.00 0.00 C ATOM 346 CE1 TYR A 26 24.056 -12.878 0.975 1.00 0.00 C ATOM 347 CE2 TYR A 26 26.391 -12.333 1.395 1.00 0.00 C ATOM 348 CZ TYR A 26 25.399 -13.294 1.113 1.00 0.00 C ATOM 349 OH TYR A 26 25.749 -14.603 0.961 1.00 0.00 O ATOM 0 H TYR A 26 23.195 -6.953 2.985 1.00 0.00 H new ATOM 0 HA TYR A 26 22.468 -8.891 0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 26 24.836 -8.545 0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 26 24.932 -8.740 2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 26 22.680 -11.219 1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 26 26.808 -10.252 1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 26 23.291 -13.603 0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 26 27.423 -12.635 1.490 1.00 0.00 H new ATOM 0 HH TYR A 26 26.715 -14.700 1.091 1.00 0.00 H new ATOM 359 N ILE A 27 21.136 -9.996 2.602 1.00 0.00 N ATOM 360 CA ILE A 27 20.222 -10.591 3.557 1.00 0.00 C ATOM 361 C ILE A 27 20.276 -12.095 3.283 1.00 0.00 C ATOM 362 O ILE A 27 19.794 -12.561 2.246 1.00 0.00 O ATOM 363 CB ILE A 27 18.847 -9.892 3.395 1.00 0.00 C ATOM 364 CG1 ILE A 27 19.006 -8.400 3.808 1.00 0.00 C ATOM 365 CG2 ILE A 27 17.730 -10.581 4.185 1.00 0.00 C ATOM 366 CD1 ILE A 27 17.722 -7.597 4.045 1.00 0.00 C ATOM 0 H ILE A 27 20.880 -10.188 1.634 1.00 0.00 H new ATOM 0 HA ILE A 27 20.469 -10.455 4.610 1.00 0.00 H new ATOM 0 HB ILE A 27 18.541 -9.961 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.600 -8.364 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.582 -7.895 3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.793 -10.046 4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 27 17.622 -11.609 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 27 17.980 -10.579 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 27 17.978 -6.576 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 27 17.127 -7.584 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 27 17.146 -8.060 4.846 1.00 0.00 H new ATOM 378 N ASP A 28 20.931 -12.836 4.182 1.00 0.00 N ATOM 379 CA ASP A 28 21.265 -14.250 4.045 1.00 0.00 C ATOM 380 C ASP A 28 20.433 -15.051 5.040 1.00 0.00 C ATOM 381 O ASP A 28 20.592 -14.872 6.248 1.00 0.00 O ATOM 382 CB ASP A 28 22.760 -14.467 4.306 1.00 0.00 C ATOM 383 CG ASP A 28 23.092 -15.967 4.379 1.00 0.00 C ATOM 384 OD1 ASP A 28 22.786 -16.705 3.415 1.00 0.00 O ATOM 385 OD2 ASP A 28 23.691 -16.414 5.383 1.00 0.00 O ATOM 0 H ASP A 28 21.257 -12.444 5.066 1.00 0.00 H new ATOM 0 HA ASP A 28 21.043 -14.584 3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.343 -13.999 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 28 23.045 -13.982 5.240 1.00 0.00 H new ATOM 390 N ASN A 29 19.525 -15.899 4.548 1.00 0.00 N ATOM 391 CA ASN A 29 18.505 -16.616 5.329 1.00 0.00 C ATOM 392 C ASN A 29 17.832 -15.725 6.391 1.00 0.00 C ATOM 393 O ASN A 29 17.566 -16.171 7.509 1.00 0.00 O ATOM 394 CB ASN A 29 19.100 -17.902 5.937 1.00 0.00 C ATOM 395 CG ASN A 29 17.999 -18.890 6.314 1.00 0.00 C ATOM 396 OD1 ASN A 29 17.277 -19.364 5.443 1.00 0.00 O ATOM 397 ND2 ASN A 29 17.834 -19.263 7.572 1.00 0.00 N ATOM 0 H ASN A 29 19.476 -16.116 3.553 1.00 0.00 H new ATOM 0 HA ASN A 29 17.708 -16.903 4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.780 -18.365 5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.688 -17.653 6.820 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.110 -19.940 7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.430 -18.873 8.302 1.00 0.00 H new ATOM 404 N SER A 30 17.590 -14.454 6.070 1.00 0.00 N ATOM 405 CA SER A 30 17.171 -13.433 7.016 1.00 0.00 C ATOM 406 C SER A 30 15.911 -12.723 6.537 1.00 0.00 C ATOM 407 O SER A 30 15.563 -12.757 5.359 1.00 0.00 O ATOM 408 CB SER A 30 18.312 -12.432 7.213 1.00 0.00 C ATOM 409 OG SER A 30 19.429 -13.038 7.816 1.00 0.00 O ATOM 0 H SER A 30 17.684 -14.102 5.117 1.00 0.00 H new ATOM 0 HA SER A 30 16.936 -13.908 7.968 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.600 -12.012 6.249 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.968 -11.603 7.832 1.00 0.00 H new ATOM 0 HG SER A 30 19.951 -13.512 7.136 1.00 0.00 H new ATOM 415 N GLN A 31 15.207 -12.067 7.454 1.00 0.00 N ATOM 416 CA GLN A 31 13.892 -11.509 7.189 1.00 0.00 C ATOM 417 C GLN A 31 13.922 -10.025 7.551 1.00 0.00 C ATOM 418 O GLN A 31 14.471 -9.641 8.584 1.00 0.00 O ATOM 419 CB GLN A 31 12.816 -12.289 7.971 1.00 0.00 C ATOM 420 CG GLN A 31 12.955 -13.829 7.962 1.00 0.00 C ATOM 421 CD GLN A 31 13.034 -14.466 6.570 1.00 0.00 C ATOM 422 OE1 GLN A 31 12.304 -14.091 5.656 1.00 0.00 O ATOM 423 NE2 GLN A 31 13.899 -15.452 6.382 1.00 0.00 N ATOM 0 H GLN A 31 15.537 -11.908 8.406 1.00 0.00 H new ATOM 0 HA GLN A 31 13.634 -11.602 6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.829 -11.949 9.006 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.839 -12.030 7.563 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.851 -14.101 8.520 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.106 -14.258 8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.501 -15.756 7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.963 -15.907 5.472 1.00 0.00 H new ATOM 432 N LEU A 32 13.336 -9.202 6.689 1.00 0.00 N ATOM 433 CA LEU A 32 13.262 -7.752 6.776 1.00 0.00 C ATOM 434 C LEU A 32 11.792 -7.457 6.495 1.00 0.00 C ATOM 435 O LEU A 32 11.343 -7.681 5.370 1.00 0.00 O ATOM 436 CB LEU A 32 14.208 -7.164 5.709 1.00 0.00 C ATOM 437 CG LEU A 32 14.069 -5.647 5.499 1.00 0.00 C ATOM 438 CD1 LEU A 32 14.903 -4.850 6.498 1.00 0.00 C ATOM 439 CD2 LEU A 32 14.509 -5.249 4.086 1.00 0.00 C ATOM 0 H LEU A 32 12.869 -9.557 5.855 1.00 0.00 H new ATOM 0 HA LEU A 32 13.567 -7.322 7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.237 -7.386 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.023 -7.668 4.760 1.00 0.00 H new ATOM 0 HG LEU A 32 13.015 -5.414 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.773 -3.784 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.577 -5.083 7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.955 -5.113 6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.402 -4.171 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.552 -5.529 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.887 -5.763 3.353 1.00 0.00 H new ATOM 451 N VAL A 33 11.023 -7.036 7.499 1.00 0.00 N ATOM 452 CA VAL A 33 9.569 -6.958 7.369 1.00 0.00 C ATOM 453 C VAL A 33 8.979 -5.702 8.016 1.00 0.00 C ATOM 454 O VAL A 33 9.615 -5.061 8.859 1.00 0.00 O ATOM 455 CB VAL A 33 8.928 -8.257 7.923 1.00 0.00 C ATOM 456 CG1 VAL A 33 9.240 -9.480 7.045 1.00 0.00 C ATOM 457 CG2 VAL A 33 9.345 -8.581 9.367 1.00 0.00 C ATOM 0 H VAL A 33 11.382 -6.745 8.408 1.00 0.00 H new ATOM 0 HA VAL A 33 9.330 -6.872 6.309 1.00 0.00 H new ATOM 0 HB VAL A 33 7.857 -8.054 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.770 -10.365 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.853 -9.314 6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.319 -9.629 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.859 -9.502 9.688 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.427 -8.706 9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.046 -7.765 10.024 1.00 0.00 H new ATOM 467 N ASP A 34 7.725 -5.410 7.648 1.00 0.00 N ATOM 468 CA ASP A 34 6.860 -4.378 8.219 1.00 0.00 C ATOM 469 C ASP A 34 7.524 -3.001 8.231 1.00 0.00 C ATOM 470 O ASP A 34 7.817 -2.439 9.280 1.00 0.00 O ATOM 471 CB ASP A 34 6.320 -4.811 9.592 1.00 0.00 C ATOM 472 CG ASP A 34 5.302 -3.805 10.165 1.00 0.00 C ATOM 473 OD1 ASP A 34 4.549 -3.170 9.391 1.00 0.00 O ATOM 474 OD2 ASP A 34 5.183 -3.716 11.408 1.00 0.00 O ATOM 0 H ASP A 34 7.262 -5.922 6.897 1.00 0.00 H new ATOM 0 HA ASP A 34 5.995 -4.267 7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.849 -5.790 9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.151 -4.920 10.289 1.00 0.00 H new ATOM 479 N THR A 35 7.786 -2.455 7.044 1.00 0.00 N ATOM 480 CA THR A 35 8.498 -1.209 6.830 1.00 0.00 C ATOM 481 C THR A 35 9.818 -1.067 7.603 1.00 0.00 C ATOM 482 O THR A 35 10.085 -0.049 8.251 1.00 0.00 O ATOM 483 CB THR A 35 7.553 -0.004 6.934 1.00 0.00 C ATOM 484 OG1 THR A 35 6.254 -0.298 6.439 1.00 0.00 O ATOM 485 CG2 THR A 35 8.123 1.144 6.093 1.00 0.00 C ATOM 0 H THR A 35 7.492 -2.893 6.171 1.00 0.00 H new ATOM 0 HA THR A 35 8.852 -1.236 5.800 1.00 0.00 H new ATOM 0 HB THR A 35 7.473 0.262 7.988 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.684 0.495 6.525 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.460 2.007 6.158 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.110 1.415 6.468 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.205 0.827 5.053 1.00 0.00 H new ATOM 493 N SER A 36 10.642 -2.111 7.575 1.00 0.00 N ATOM 494 CA SER A 36 12.012 -1.985 8.021 1.00 0.00 C ATOM 495 C SER A 36 12.748 -1.262 6.884 1.00 0.00 C ATOM 496 O SER A 36 12.261 -1.190 5.748 1.00 0.00 O ATOM 497 CB SER A 36 12.622 -3.359 8.275 1.00 0.00 C ATOM 498 OG SER A 36 12.014 -3.969 9.386 1.00 0.00 O ATOM 0 H SER A 36 10.381 -3.042 7.250 1.00 0.00 H new ATOM 0 HA SER A 36 12.084 -1.435 8.959 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.497 -3.988 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.694 -3.262 8.447 1.00 0.00 H new ATOM 0 HG SER A 36 11.309 -4.577 9.080 1.00 0.00 H new ATOM 504 N ILE A 37 13.922 -0.712 7.166 1.00 0.00 N ATOM 505 CA ILE A 37 14.695 0.049 6.195 1.00 0.00 C ATOM 506 C ILE A 37 16.161 -0.355 6.397 1.00 0.00 C ATOM 507 O ILE A 37 16.807 0.085 7.352 1.00 0.00 O ATOM 508 CB ILE A 37 14.386 1.568 6.326 1.00 0.00 C ATOM 509 CG1 ILE A 37 12.914 1.886 5.961 1.00 0.00 C ATOM 510 CG2 ILE A 37 15.357 2.410 5.472 1.00 0.00 C ATOM 511 CD1 ILE A 37 12.526 3.368 6.040 1.00 0.00 C ATOM 0 H ILE A 37 14.367 -0.782 8.081 1.00 0.00 H new ATOM 0 HA ILE A 37 14.430 -0.174 5.161 1.00 0.00 H new ATOM 0 HB ILE A 37 14.532 1.838 7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.723 1.531 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.261 1.320 6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.117 3.467 5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 37 16.380 2.233 5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.261 2.125 4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.477 3.485 5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.678 3.730 7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.147 3.944 5.353 1.00 0.00 H new ATOM 523 N CYS A 38 16.676 -1.243 5.542 1.00 0.00 N ATOM 524 CA CYS A 38 18.055 -1.692 5.627 1.00 0.00 C ATOM 525 C CYS A 38 18.914 -0.700 4.860 1.00 0.00 C ATOM 526 O CYS A 38 18.530 -0.296 3.754 1.00 0.00 O ATOM 527 CB CYS A 38 18.197 -3.098 5.027 1.00 0.00 C ATOM 528 SG CYS A 38 19.845 -3.821 5.227 1.00 0.00 S ATOM 0 H CYS A 38 16.147 -1.664 4.779 1.00 0.00 H new ATOM 0 HA CYS A 38 18.373 -1.742 6.668 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.464 -3.756 5.493 1.00 0.00 H new ATOM 0 HB3 CYS A 38 17.957 -3.054 3.965 1.00 0.00 H new ATOM 533 N THR A 39 20.099 -0.383 5.378 1.00 0.00 N ATOM 534 CA THR A 39 21.061 0.448 4.664 1.00 0.00 C ATOM 535 C THR A 39 22.446 -0.167 4.831 1.00 0.00 C ATOM 536 O THR A 39 22.963 -0.269 5.946 1.00 0.00 O ATOM 537 CB THR A 39 21.025 1.911 5.163 1.00 0.00 C ATOM 538 OG1 THR A 39 19.749 2.294 5.637 1.00 0.00 O ATOM 539 CG2 THR A 39 21.464 2.897 4.076 1.00 0.00 C ATOM 0 H THR A 39 20.416 -0.693 6.297 1.00 0.00 H new ATOM 0 HA THR A 39 20.802 0.479 3.606 1.00 0.00 H new ATOM 0 HB THR A 39 21.730 1.949 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 39 19.616 1.939 6.541 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.424 3.913 4.469 1.00 0.00 H new ATOM 0 HG22 THR A 39 22.484 2.667 3.767 1.00 0.00 H new ATOM 0 HG23 THR A 39 20.797 2.813 3.218 1.00 0.00 H new ATOM 547 N ARG A 40 23.046 -0.579 3.714 1.00 0.00 N ATOM 548 CA ARG A 40 24.405 -1.113 3.573 1.00 0.00 C ATOM 549 C ARG A 40 24.821 -2.102 4.670 1.00 0.00 C ATOM 550 O ARG A 40 25.981 -2.118 5.082 1.00 0.00 O ATOM 551 CB ARG A 40 25.401 0.030 3.287 1.00 0.00 C ATOM 552 CG ARG A 40 25.588 1.047 4.430 1.00 0.00 C ATOM 553 CD ARG A 40 26.601 2.140 4.066 1.00 0.00 C ATOM 554 NE ARG A 40 26.121 3.001 2.967 1.00 0.00 N ATOM 555 CZ ARG A 40 25.348 4.091 3.083 1.00 0.00 C ATOM 556 NH1 ARG A 40 24.965 4.530 4.282 1.00 0.00 N ATOM 557 NH2 ARG A 40 24.956 4.738 1.992 1.00 0.00 N ATOM 0 H ARG A 40 22.561 -0.547 2.817 1.00 0.00 H new ATOM 0 HA ARG A 40 24.419 -1.759 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 40 26.371 -0.407 3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 40 25.067 0.566 2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 40 24.628 1.506 4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 40 25.923 0.527 5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 40 26.803 2.753 4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 40 27.545 1.677 3.777 1.00 0.00 H new ATOM 0 HE ARG A 40 26.406 2.740 2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 40 25.260 4.036 5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 40 24.377 5.360 4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 40 25.243 4.406 1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 40 24.368 5.567 2.075 1.00 0.00 H new ATOM 571 N SER A 41 23.881 -2.916 5.152 1.00 0.00 N ATOM 572 CA SER A 41 24.091 -3.828 6.267 1.00 0.00 C ATOM 573 C SER A 41 24.117 -5.280 5.778 1.00 0.00 C ATOM 574 O SER A 41 23.672 -5.601 4.671 1.00 0.00 O ATOM 575 CB SER A 41 22.987 -3.616 7.310 1.00 0.00 C ATOM 576 OG SER A 41 22.976 -2.281 7.794 1.00 0.00 O ATOM 0 H SER A 41 22.937 -2.957 4.769 1.00 0.00 H new ATOM 0 HA SER A 41 25.056 -3.620 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 41 22.019 -3.852 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 41 23.134 -4.304 8.142 1.00 0.00 H new ATOM 0 HG SER A 41 22.877 -1.661 7.041 1.00 0.00 H new ATOM 582 N GLN A 42 24.617 -6.153 6.647 1.00 0.00 N ATOM 583 CA GLN A 42 24.661 -7.598 6.469 1.00 0.00 C ATOM 584 C GLN A 42 23.702 -8.199 7.487 1.00 0.00 C ATOM 585 O GLN A 42 23.879 -7.961 8.683 1.00 0.00 O ATOM 586 CB GLN A 42 26.096 -8.095 6.731 1.00 0.00 C ATOM 587 CG GLN A 42 26.250 -9.628 6.694 1.00 0.00 C ATOM 588 CD GLN A 42 26.003 -10.209 5.303 1.00 0.00 C ATOM 589 OE1 GLN A 42 26.614 -9.771 4.333 1.00 0.00 O ATOM 590 NE2 GLN A 42 25.125 -11.190 5.166 1.00 0.00 N ATOM 0 H GLN A 42 25.021 -5.857 7.536 1.00 0.00 H new ATOM 0 HA GLN A 42 24.376 -7.887 5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 42 26.762 -7.656 5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 42 26.422 -7.732 7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 42 27.254 -9.897 7.023 1.00 0.00 H new ATOM 0 HG3 GLN A 42 25.552 -10.077 7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 42 24.625 -11.544 5.981 1.00 0.00 H new ATOM 0 HE22 GLN A 42 24.949 -11.592 4.245 1.00 0.00 H new ATOM 599 N TYR A 43 22.726 -8.988 7.044 1.00 0.00 N ATOM 600 CA TYR A 43 21.891 -9.787 7.936 1.00 0.00 C ATOM 601 C TYR A 43 22.200 -11.243 7.607 1.00 0.00 C ATOM 602 O TYR A 43 22.272 -11.594 6.424 1.00 0.00 O ATOM 603 CB TYR A 43 20.389 -9.533 7.734 1.00 0.00 C ATOM 604 CG TYR A 43 19.819 -8.130 7.888 1.00 0.00 C ATOM 605 CD1 TYR A 43 20.576 -7.021 8.321 1.00 0.00 C ATOM 606 CD2 TYR A 43 18.459 -7.949 7.577 1.00 0.00 C ATOM 607 CE1 TYR A 43 20.012 -5.735 8.350 1.00 0.00 C ATOM 608 CE2 TYR A 43 17.877 -6.675 7.646 1.00 0.00 C ATOM 609 CZ TYR A 43 18.657 -5.552 7.997 1.00 0.00 C ATOM 610 OH TYR A 43 18.100 -4.312 8.012 1.00 0.00 O ATOM 0 H TYR A 43 22.492 -9.091 6.057 1.00 0.00 H new ATOM 0 HA TYR A 43 22.110 -9.525 8.971 1.00 0.00 H new ATOM 0 HB2 TYR A 43 20.136 -9.876 6.731 1.00 0.00 H new ATOM 0 HB3 TYR A 43 19.856 -10.176 8.434 1.00 0.00 H new ATOM 0 HD1 TYR A 43 21.600 -7.162 8.633 1.00 0.00 H new ATOM 0 HD2 TYR A 43 17.859 -8.797 7.283 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.614 -4.887 8.642 1.00 0.00 H new ATOM 0 HE2 TYR A 43 16.826 -6.552 7.429 1.00 0.00 H new ATOM 0 HH TYR A 43 18.809 -3.635 8.021 1.00 0.00 H new ATOM 620 N SER A 44 22.366 -12.075 8.630 1.00 0.00 N ATOM 621 CA SER A 44 22.724 -13.472 8.478 1.00 0.00 C ATOM 622 C SER A 44 21.950 -14.279 9.524 1.00 0.00 C ATOM 623 O SER A 44 22.132 -14.091 10.728 1.00 0.00 O ATOM 624 CB SER A 44 24.242 -13.628 8.638 1.00 0.00 C ATOM 625 OG SER A 44 24.951 -12.795 7.727 1.00 0.00 O ATOM 0 H SER A 44 22.253 -11.788 9.602 1.00 0.00 H new ATOM 0 HA SER A 44 22.461 -13.843 7.488 1.00 0.00 H new ATOM 0 HB2 SER A 44 24.529 -13.378 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 44 24.521 -14.669 8.474 1.00 0.00 H new ATOM 0 HG SER A 44 25.915 -12.916 7.855 1.00 0.00 H new ATOM 631 N ASP A 45 21.082 -15.177 9.055 1.00 0.00 N ATOM 632 CA ASP A 45 20.129 -15.964 9.839 1.00 0.00 C ATOM 633 C ASP A 45 19.371 -15.145 10.904 1.00 0.00 C ATOM 634 O ASP A 45 19.169 -15.603 12.030 1.00 0.00 O ATOM 635 CB ASP A 45 20.821 -17.217 10.398 1.00 0.00 C ATOM 636 CG ASP A 45 19.797 -18.257 10.877 1.00 0.00 C ATOM 637 OD1 ASP A 45 18.883 -18.593 10.091 1.00 0.00 O ATOM 638 OD2 ASP A 45 19.943 -18.804 11.995 1.00 0.00 O ATOM 0 H ASP A 45 21.022 -15.387 8.059 1.00 0.00 H new ATOM 0 HA ASP A 45 19.337 -16.293 9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.456 -17.657 9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 45 21.471 -16.936 11.227 1.00 0.00 H new ATOM 643 N ALA A 46 18.968 -13.913 10.568 1.00 0.00 N ATOM 644 CA ALA A 46 18.434 -12.917 11.497 1.00 0.00 C ATOM 645 C ALA A 46 17.049 -12.407 11.074 1.00 0.00 C ATOM 646 O ALA A 46 16.592 -12.659 9.958 1.00 0.00 O ATOM 647 CB ALA A 46 19.438 -11.759 11.575 1.00 0.00 C ATOM 0 H ALA A 46 19.007 -13.573 9.607 1.00 0.00 H new ATOM 0 HA ALA A 46 18.301 -13.379 12.475 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.065 -11.000 12.262 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.397 -12.133 11.933 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.566 -11.321 10.585 1.00 0.00 H new ATOM 653 N ASN A 47 16.381 -11.644 11.944 1.00 0.00 N ATOM 654 CA ASN A 47 15.084 -11.026 11.663 1.00 0.00 C ATOM 655 C ASN A 47 15.100 -9.571 12.103 1.00 0.00 C ATOM 656 O ASN A 47 15.629 -9.243 13.164 1.00 0.00 O ATOM 657 CB ASN A 47 13.951 -11.765 12.383 1.00 0.00 C ATOM 658 CG ASN A 47 12.614 -11.034 12.253 1.00 0.00 C ATOM 659 OD1 ASN A 47 12.190 -10.687 11.157 1.00 0.00 O ATOM 660 ND2 ASN A 47 11.931 -10.768 13.354 1.00 0.00 N ATOM 0 H ASN A 47 16.733 -11.436 12.878 1.00 0.00 H new ATOM 0 HA ASN A 47 14.907 -11.086 10.589 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.856 -12.770 11.972 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.203 -11.874 13.438 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.043 -10.270 13.295 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.292 -11.061 14.262 1.00 0.00 H new ATOM 667 N VAL A 48 14.489 -8.719 11.295 1.00 0.00 N ATOM 668 CA VAL A 48 14.442 -7.277 11.457 1.00 0.00 C ATOM 669 C VAL A 48 13.010 -6.847 11.134 1.00 0.00 C ATOM 670 O VAL A 48 12.493 -7.175 10.061 1.00 0.00 O ATOM 671 CB VAL A 48 15.512 -6.629 10.547 1.00 0.00 C ATOM 672 CG1 VAL A 48 15.525 -5.104 10.687 1.00 0.00 C ATOM 673 CG2 VAL A 48 16.926 -7.148 10.877 1.00 0.00 C ATOM 0 H VAL A 48 13.986 -9.033 10.465 1.00 0.00 H new ATOM 0 HA VAL A 48 14.678 -6.951 12.470 1.00 0.00 H new ATOM 0 HB VAL A 48 15.245 -6.903 9.526 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.289 -4.685 10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.550 -4.705 10.408 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.745 -4.835 11.720 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.652 -6.671 10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.167 -6.912 11.914 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.960 -8.228 10.733 1.00 0.00 H new ATOM 683 N LYS A 49 12.356 -6.145 12.067 1.00 0.00 N ATOM 684 CA LYS A 49 10.935 -5.811 11.975 1.00 0.00 C ATOM 685 C LYS A 49 10.732 -4.350 12.357 1.00 0.00 C ATOM 686 O LYS A 49 11.151 -3.925 13.439 1.00 0.00 O ATOM 687 CB LYS A 49 10.129 -6.779 12.856 1.00 0.00 C ATOM 688 CG LYS A 49 8.616 -6.510 12.795 1.00 0.00 C ATOM 689 CD LYS A 49 7.836 -7.541 13.620 1.00 0.00 C ATOM 690 CE LYS A 49 6.330 -7.254 13.537 1.00 0.00 C ATOM 691 NZ LYS A 49 5.528 -8.226 14.323 1.00 0.00 N ATOM 0 H LYS A 49 12.804 -5.791 12.912 1.00 0.00 H new ATOM 0 HA LYS A 49 10.573 -5.927 10.953 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.326 -7.803 12.539 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.469 -6.694 13.888 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.407 -5.508 13.169 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.280 -6.540 11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.043 -8.545 13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.163 -7.509 14.659 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.134 -6.246 13.901 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.013 -7.284 12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.518 -7.993 14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.693 -9.186 13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.810 -8.180 15.323 1.00 0.00 H new ATOM 705 N LYS A 50 10.082 -3.594 11.470 1.00 0.00 N ATOM 706 CA LYS A 50 9.942 -2.139 11.508 1.00 0.00 C ATOM 707 C LYS A 50 11.170 -1.444 12.104 1.00 0.00 C ATOM 708 O LYS A 50 11.047 -0.645 13.031 1.00 0.00 O ATOM 709 CB LYS A 50 8.613 -1.788 12.207 1.00 0.00 C ATOM 710 CG LYS A 50 8.132 -0.362 11.892 1.00 0.00 C ATOM 711 CD LYS A 50 6.722 -0.139 12.448 1.00 0.00 C ATOM 712 CE LYS A 50 6.271 1.304 12.187 1.00 0.00 C ATOM 713 NZ LYS A 50 4.902 1.567 12.697 1.00 0.00 N ATOM 0 H LYS A 50 9.614 -4.004 10.662 1.00 0.00 H new ATOM 0 HA LYS A 50 9.898 -1.748 10.491 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.847 -2.501 11.900 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.735 -1.895 13.285 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.820 0.365 12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.135 -0.200 10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.025 -0.835 11.982 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.709 -0.344 13.519 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.971 1.992 12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.302 1.504 11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.641 2.554 12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.228 0.929 12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.876 1.403 13.724 1.00 0.00 H new ATOM 727 N SER A 51 12.365 -1.780 11.620 1.00 0.00 N ATOM 728 CA SER A 51 13.619 -1.316 12.198 1.00 0.00 C ATOM 729 C SER A 51 14.492 -0.756 11.089 1.00 0.00 C ATOM 730 O SER A 51 14.311 -1.094 9.919 1.00 0.00 O ATOM 731 CB SER A 51 14.313 -2.480 12.903 1.00 0.00 C ATOM 732 OG SER A 51 13.577 -2.905 14.032 1.00 0.00 O ATOM 0 H SER A 51 12.488 -2.387 10.809 1.00 0.00 H new ATOM 0 HA SER A 51 13.433 -0.532 12.932 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.431 -3.312 12.208 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.314 -2.178 13.211 1.00 0.00 H new ATOM 0 HG SER A 51 12.821 -3.457 13.741 1.00 0.00 H new ATOM 738 N VAL A 52 15.447 0.092 11.447 1.00 0.00 N ATOM 739 CA VAL A 52 16.316 0.780 10.511 1.00 0.00 C ATOM 740 C VAL A 52 17.731 0.292 10.802 1.00 0.00 C ATOM 741 O VAL A 52 18.091 0.133 11.973 1.00 0.00 O ATOM 742 CB VAL A 52 16.155 2.309 10.662 1.00 0.00 C ATOM 743 CG1 VAL A 52 16.947 3.063 9.584 1.00 0.00 C ATOM 744 CG2 VAL A 52 14.681 2.746 10.574 1.00 0.00 C ATOM 0 H VAL A 52 15.641 0.324 12.421 1.00 0.00 H new ATOM 0 HA VAL A 52 16.066 0.563 9.473 1.00 0.00 H new ATOM 0 HB VAL A 52 16.544 2.557 11.650 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.813 4.136 9.718 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.005 2.816 9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.586 2.773 8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.615 3.828 10.685 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.272 2.455 9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.111 2.264 11.368 1.00 0.00 H new ATOM 754 N THR A 53 18.542 0.062 9.771 1.00 0.00 N ATOM 755 CA THR A 53 19.936 -0.319 9.958 1.00 0.00 C ATOM 756 C THR A 53 20.802 0.563 9.074 1.00 0.00 C ATOM 757 O THR A 53 20.387 0.922 7.969 1.00 0.00 O ATOM 758 CB THR A 53 20.164 -1.829 9.727 1.00 0.00 C ATOM 759 OG1 THR A 53 20.104 -2.216 8.368 1.00 0.00 O ATOM 760 CG2 THR A 53 19.122 -2.679 10.444 1.00 0.00 C ATOM 0 H THR A 53 18.254 0.134 8.795 1.00 0.00 H new ATOM 0 HA THR A 53 20.225 -0.155 10.996 1.00 0.00 H new ATOM 0 HB THR A 53 21.167 -1.997 10.118 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.996 -2.147 7.969 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.320 -3.734 10.255 1.00 0.00 H new ATOM 0 HG22 THR A 53 19.171 -2.487 11.516 1.00 0.00 H new ATOM 0 HG23 THR A 53 18.128 -2.424 10.075 1.00 0.00 H new ATOM 768 N THR A 54 21.999 0.902 9.549 1.00 0.00 N ATOM 769 CA THR A 54 23.013 1.575 8.762 1.00 0.00 C ATOM 770 C THR A 54 24.345 0.900 9.070 1.00 0.00 C ATOM 771 O THR A 54 24.812 0.971 10.207 1.00 0.00 O ATOM 772 CB THR A 54 23.035 3.084 9.086 1.00 0.00 C ATOM 773 OG1 THR A 54 21.734 3.646 9.089 1.00 0.00 O ATOM 774 CG2 THR A 54 23.874 3.858 8.063 1.00 0.00 C ATOM 0 H THR A 54 22.290 0.711 10.508 1.00 0.00 H new ATOM 0 HA THR A 54 22.803 1.496 7.695 1.00 0.00 H new ATOM 0 HB THR A 54 23.472 3.170 10.081 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.791 4.601 9.300 1.00 0.00 H new ATOM 0 HG21 THR A 54 23.871 4.918 8.317 1.00 0.00 H new ATOM 0 HG22 THR A 54 24.898 3.485 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.450 3.722 7.068 1.00 0.00 H new ATOM 782 N ASP A 55 24.958 0.279 8.057 1.00 0.00 N ATOM 783 CA ASP A 55 26.284 -0.346 8.121 1.00 0.00 C ATOM 784 C ASP A 55 26.430 -1.290 9.323 1.00 0.00 C ATOM 785 O ASP A 55 27.364 -1.171 10.119 1.00 0.00 O ATOM 786 CB ASP A 55 27.382 0.729 8.042 1.00 0.00 C ATOM 787 CG ASP A 55 28.799 0.126 7.970 1.00 0.00 C ATOM 788 OD1 ASP A 55 29.014 -0.873 7.249 1.00 0.00 O ATOM 789 OD2 ASP A 55 29.730 0.697 8.586 1.00 0.00 O ATOM 0 H ASP A 55 24.529 0.194 7.136 1.00 0.00 H new ATOM 0 HA ASP A 55 26.404 -0.991 7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.212 1.353 7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.312 1.379 8.914 1.00 0.00 H new ATOM 794 N CYS A 56 25.476 -2.212 9.491 1.00 0.00 N ATOM 795 CA CYS A 56 25.442 -3.132 10.620 1.00 0.00 C ATOM 796 C CYS A 56 25.747 -4.550 10.153 1.00 0.00 C ATOM 797 O CYS A 56 25.654 -4.853 8.961 1.00 0.00 O ATOM 798 CB CYS A 56 24.080 -3.059 11.319 1.00 0.00 C ATOM 799 SG CYS A 56 23.889 -1.608 12.381 1.00 0.00 S ATOM 0 H CYS A 56 24.702 -2.337 8.839 1.00 0.00 H new ATOM 0 HA CYS A 56 26.208 -2.843 11.340 1.00 0.00 H new ATOM 0 HB2 CYS A 56 23.293 -3.053 10.564 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.940 -3.959 11.918 1.00 0.00 H new ATOM 804 N ASN A 57 26.063 -5.438 11.095 1.00 0.00 N ATOM 805 CA ASN A 57 26.265 -6.856 10.846 1.00 0.00 C ATOM 806 C ASN A 57 25.421 -7.543 11.901 1.00 0.00 C ATOM 807 O ASN A 57 25.695 -7.395 13.089 1.00 0.00 O ATOM 808 CB ASN A 57 27.752 -7.213 10.941 1.00 0.00 C ATOM 809 CG ASN A 57 27.957 -8.721 10.850 1.00 0.00 C ATOM 810 OD1 ASN A 57 27.789 -9.439 11.829 1.00 0.00 O ATOM 811 ND2 ASN A 57 28.317 -9.234 9.687 1.00 0.00 N ATOM 0 H ASN A 57 26.187 -5.180 12.074 1.00 0.00 H new ATOM 0 HA ASN A 57 25.969 -7.168 9.844 1.00 0.00 H new ATOM 0 HB2 ASN A 57 28.301 -6.718 10.139 1.00 0.00 H new ATOM 0 HB3 ASN A 57 28.159 -6.843 11.882 1.00 0.00 H new ATOM 0 HD21 ASN A 57 28.459 -10.240 9.595 1.00 0.00 H new ATOM 0 HD22 ASN A 57 28.453 -8.624 8.881 1.00 0.00 H new ATOM 818 N ILE A 58 24.361 -8.221 11.482 1.00 0.00 N ATOM 819 CA ILE A 58 23.331 -8.738 12.367 1.00 0.00 C ATOM 820 C ILE A 58 23.292 -10.241 12.133 1.00 0.00 C ATOM 821 O ILE A 58 22.880 -10.693 11.066 1.00 0.00 O ATOM 822 CB ILE A 58 21.993 -8.001 12.095 1.00 0.00 C ATOM 823 CG1 ILE A 58 22.174 -6.468 12.250 1.00 0.00 C ATOM 824 CG2 ILE A 58 20.886 -8.526 13.025 1.00 0.00 C ATOM 825 CD1 ILE A 58 20.896 -5.640 12.085 1.00 0.00 C ATOM 0 H ILE A 58 24.192 -8.430 10.498 1.00 0.00 H new ATOM 0 HA ILE A 58 23.533 -8.561 13.423 1.00 0.00 H new ATOM 0 HB ILE A 58 21.690 -8.202 11.067 1.00 0.00 H new ATOM 0 HG12 ILE A 58 22.594 -6.266 13.235 1.00 0.00 H new ATOM 0 HG13 ILE A 58 22.905 -6.129 11.516 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.956 -7.997 12.819 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.742 -9.593 12.853 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.174 -8.361 14.063 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.129 -4.583 12.211 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.482 -5.804 11.090 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.166 -5.943 12.836 1.00 0.00 H new ATOM 837 N ASP A 59 23.755 -11.009 13.116 1.00 0.00 N ATOM 838 CA ASP A 59 23.991 -12.438 12.992 1.00 0.00 C ATOM 839 C ASP A 59 23.135 -13.149 14.029 1.00 0.00 C ATOM 840 O ASP A 59 23.198 -12.800 15.208 1.00 0.00 O ATOM 841 CB ASP A 59 25.481 -12.705 13.223 1.00 0.00 C ATOM 842 CG ASP A 59 25.753 -14.201 13.409 1.00 0.00 C ATOM 843 OD1 ASP A 59 25.782 -14.939 12.399 1.00 0.00 O ATOM 844 OD2 ASP A 59 25.975 -14.617 14.566 1.00 0.00 O ATOM 0 H ASP A 59 23.981 -10.643 14.041 1.00 0.00 H new ATOM 0 HA ASP A 59 23.723 -12.806 12.002 1.00 0.00 H new ATOM 0 HB2 ASP A 59 26.056 -12.331 12.376 1.00 0.00 H new ATOM 0 HB3 ASP A 59 25.819 -12.159 14.104 1.00 0.00 H new ATOM 849 N LYS A 60 22.313 -14.113 13.607 1.00 0.00 N ATOM 850 CA LYS A 60 21.465 -14.938 14.480 1.00 0.00 C ATOM 851 C LYS A 60 20.615 -14.122 15.473 1.00 0.00 C ATOM 852 O LYS A 60 20.277 -14.626 16.547 1.00 0.00 O ATOM 853 CB LYS A 60 22.327 -16.016 15.173 1.00 0.00 C ATOM 854 CG LYS A 60 23.000 -16.973 14.175 1.00 0.00 C ATOM 855 CD LYS A 60 23.871 -18.005 14.905 1.00 0.00 C ATOM 856 CE LYS A 60 24.544 -18.934 13.887 1.00 0.00 C ATOM 857 NZ LYS A 60 25.403 -19.955 14.538 1.00 0.00 N ATOM 0 H LYS A 60 22.214 -14.350 12.620 1.00 0.00 H new ATOM 0 HA LYS A 60 20.728 -15.434 13.849 1.00 0.00 H new ATOM 0 HB2 LYS A 60 23.094 -15.529 15.776 1.00 0.00 H new ATOM 0 HB3 LYS A 60 21.702 -16.591 15.856 1.00 0.00 H new ATOM 0 HG2 LYS A 60 22.239 -17.485 13.587 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.613 -16.404 13.476 1.00 0.00 H new ATOM 0 HD2 LYS A 60 24.628 -17.497 15.503 1.00 0.00 H new ATOM 0 HD3 LYS A 60 23.259 -18.588 15.594 1.00 0.00 H new ATOM 0 HE2 LYS A 60 23.779 -19.432 13.292 1.00 0.00 H new ATOM 0 HE3 LYS A 60 25.146 -18.340 13.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 25.836 -20.559 13.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 26.150 -19.482 15.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 24.825 -20.540 15.175 1.00 0.00 H new ATOM 871 N SER A 61 20.274 -12.872 15.145 1.00 0.00 N ATOM 872 CA SER A 61 19.661 -11.928 16.075 1.00 0.00 C ATOM 873 C SER A 61 18.251 -11.544 15.623 1.00 0.00 C ATOM 874 O SER A 61 17.859 -11.801 14.481 1.00 0.00 O ATOM 875 CB SER A 61 20.565 -10.698 16.217 1.00 0.00 C ATOM 876 OG SER A 61 21.832 -11.062 16.733 1.00 0.00 O ATOM 0 H SER A 61 20.419 -12.485 14.212 1.00 0.00 H new ATOM 0 HA SER A 61 19.559 -12.401 17.052 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.687 -10.217 15.247 1.00 0.00 H new ATOM 0 HB3 SER A 61 20.094 -9.969 16.877 1.00 0.00 H new ATOM 0 HG SER A 61 22.284 -11.659 16.100 1.00 0.00 H new ATOM 882 N GLN A 62 17.489 -10.908 16.514 1.00 0.00 N ATOM 883 CA GLN A 62 16.121 -10.471 16.279 1.00 0.00 C ATOM 884 C GLN A 62 16.029 -9.004 16.698 1.00 0.00 C ATOM 885 O GLN A 62 16.473 -8.636 17.787 1.00 0.00 O ATOM 886 CB GLN A 62 15.138 -11.356 17.061 1.00 0.00 C ATOM 887 CG GLN A 62 15.136 -12.813 16.561 1.00 0.00 C ATOM 888 CD GLN A 62 14.064 -13.677 17.233 1.00 0.00 C ATOM 889 OE1 GLN A 62 13.686 -13.471 18.385 1.00 0.00 O ATOM 890 NE2 GLN A 62 13.540 -14.670 16.531 1.00 0.00 N ATOM 0 H GLN A 62 17.823 -10.677 17.450 1.00 0.00 H new ATOM 0 HA GLN A 62 15.853 -10.564 15.226 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.399 -11.338 18.119 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.133 -10.943 16.974 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.977 -12.821 15.483 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.116 -13.254 16.742 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.854 -14.840 15.576 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.822 -15.265 16.946 1.00 0.00 H new ATOM 899 N VAL A 63 15.455 -8.171 15.835 1.00 0.00 N ATOM 900 CA VAL A 63 15.476 -6.721 15.956 1.00 0.00 C ATOM 901 C VAL A 63 14.057 -6.215 15.694 1.00 0.00 C ATOM 902 O VAL A 63 13.457 -6.591 14.684 1.00 0.00 O ATOM 903 CB VAL A 63 16.491 -6.178 14.922 1.00 0.00 C ATOM 904 CG1 VAL A 63 16.622 -4.655 14.984 1.00 0.00 C ATOM 905 CG2 VAL A 63 17.890 -6.800 15.065 1.00 0.00 C ATOM 0 H VAL A 63 14.950 -8.497 15.011 1.00 0.00 H new ATOM 0 HA VAL A 63 15.783 -6.384 16.946 1.00 0.00 H new ATOM 0 HB VAL A 63 16.081 -6.468 13.954 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.345 -4.321 14.240 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.654 -4.198 14.779 1.00 0.00 H new ATOM 0 HG13 VAL A 63 16.960 -4.359 15.977 1.00 0.00 H new ATOM 0 HG21 VAL A 63 18.555 -6.378 14.311 1.00 0.00 H new ATOM 0 HG22 VAL A 63 18.284 -6.585 16.058 1.00 0.00 H new ATOM 0 HG23 VAL A 63 17.824 -7.879 14.927 1.00 0.00 H new ATOM 915 N TYR A 64 13.519 -5.370 16.579 1.00 0.00 N ATOM 916 CA TYR A 64 12.166 -4.831 16.453 1.00 0.00 C ATOM 917 C TYR A 64 12.157 -3.349 16.828 1.00 0.00 C ATOM 918 O TYR A 64 12.752 -2.989 17.842 1.00 0.00 O ATOM 919 CB TYR A 64 11.228 -5.643 17.362 1.00 0.00 C ATOM 920 CG TYR A 64 9.774 -5.197 17.388 1.00 0.00 C ATOM 921 CD1 TYR A 64 9.073 -4.961 16.189 1.00 0.00 C ATOM 922 CD2 TYR A 64 9.105 -5.054 18.620 1.00 0.00 C ATOM 923 CE1 TYR A 64 7.718 -4.589 16.215 1.00 0.00 C ATOM 924 CE2 TYR A 64 7.749 -4.681 18.656 1.00 0.00 C ATOM 925 CZ TYR A 64 7.048 -4.447 17.451 1.00 0.00 C ATOM 926 OH TYR A 64 5.733 -4.086 17.464 1.00 0.00 O ATOM 0 H TYR A 64 14.015 -5.040 17.407 1.00 0.00 H new ATOM 0 HA TYR A 64 11.820 -4.912 15.423 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.262 -6.686 17.047 1.00 0.00 H new ATOM 0 HB3 TYR A 64 11.617 -5.605 18.379 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.581 -5.067 15.242 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.637 -5.232 19.543 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.189 -4.412 15.290 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.244 -4.573 19.604 1.00 0.00 H new ATOM 0 HH TYR A 64 5.418 -4.032 18.390 1.00 0.00 H new ATOM 936 N LEU A 65 11.480 -2.484 16.058 1.00 0.00 N ATOM 937 CA LEU A 65 11.367 -1.037 16.330 1.00 0.00 C ATOM 938 C LEU A 65 12.713 -0.358 16.677 1.00 0.00 C ATOM 939 O LEU A 65 12.736 0.634 17.409 1.00 0.00 O ATOM 940 CB LEU A 65 10.305 -0.794 17.430 1.00 0.00 C ATOM 941 CG LEU A 65 8.856 -1.105 17.021 1.00 0.00 C ATOM 942 CD1 LEU A 65 7.952 -1.054 18.257 1.00 0.00 C ATOM 943 CD2 LEU A 65 8.327 -0.111 15.980 1.00 0.00 C ATOM 0 H LEU A 65 10.986 -2.772 15.213 1.00 0.00 H new ATOM 0 HA LEU A 65 11.045 -0.563 15.403 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.559 -1.402 18.298 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.361 0.249 17.743 1.00 0.00 H new ATOM 0 HG LEU A 65 8.848 -2.101 16.577 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.925 -1.275 17.966 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.289 -1.792 18.985 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.998 -0.059 18.700 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.300 -0.368 15.720 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.355 0.897 16.393 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.949 -0.154 15.086 1.00 0.00 H new ATOM 955 N THR A 66 13.840 -0.862 16.170 1.00 0.00 N ATOM 956 CA THR A 66 15.177 -0.462 16.600 1.00 0.00 C ATOM 957 C THR A 66 15.933 0.256 15.475 1.00 0.00 C ATOM 958 O THR A 66 15.604 0.107 14.297 1.00 0.00 O ATOM 959 CB THR A 66 15.864 -1.735 17.142 1.00 0.00 C ATOM 960 OG1 THR A 66 15.255 -2.084 18.373 1.00 0.00 O ATOM 961 CG2 THR A 66 17.379 -1.682 17.373 1.00 0.00 C ATOM 0 H THR A 66 13.847 -1.571 15.437 1.00 0.00 H new ATOM 0 HA THR A 66 15.151 0.280 17.398 1.00 0.00 H new ATOM 0 HB THR A 66 15.729 -2.466 16.344 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.400 -2.530 18.200 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.723 -2.644 17.754 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.883 -1.463 16.432 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.609 -0.901 18.098 1.00 0.00 H new ATOM 969 N THR A 67 16.962 1.020 15.841 1.00 0.00 N ATOM 970 CA THR A 67 17.797 1.790 14.931 1.00 0.00 C ATOM 971 C THR A 67 19.245 1.342 15.152 1.00 0.00 C ATOM 972 O THR A 67 19.912 1.785 16.091 1.00 0.00 O ATOM 973 CB THR A 67 17.560 3.294 15.160 1.00 0.00 C ATOM 974 OG1 THR A 67 16.178 3.588 15.028 1.00 0.00 O ATOM 975 CG2 THR A 67 18.337 4.153 14.156 1.00 0.00 C ATOM 0 H THR A 67 17.244 1.121 16.816 1.00 0.00 H new ATOM 0 HA THR A 67 17.549 1.613 13.884 1.00 0.00 H new ATOM 0 HB THR A 67 17.911 3.529 16.165 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.032 4.546 15.176 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.142 5.207 14.352 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.404 3.956 14.258 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.018 3.907 13.143 1.00 0.00 H new ATOM 983 N CYS A 68 19.707 0.407 14.320 1.00 0.00 N ATOM 984 CA CYS A 68 21.075 -0.083 14.345 1.00 0.00 C ATOM 985 C CYS A 68 21.952 0.885 13.554 1.00 0.00 C ATOM 986 O CYS A 68 21.648 1.177 12.393 1.00 0.00 O ATOM 987 CB CYS A 68 21.125 -1.490 13.729 1.00 0.00 C ATOM 988 SG CYS A 68 22.727 -2.315 13.895 1.00 0.00 S ATOM 0 H CYS A 68 19.130 -0.033 13.603 1.00 0.00 H new ATOM 0 HA CYS A 68 21.441 -0.144 15.370 1.00 0.00 H new ATOM 0 HB2 CYS A 68 20.360 -2.108 14.199 1.00 0.00 H new ATOM 0 HB3 CYS A 68 20.872 -1.421 12.671 1.00 0.00 H new ATOM 993 N THR A 69 23.069 1.326 14.134 1.00 0.00 N ATOM 994 CA THR A 69 24.003 2.223 13.469 1.00 0.00 C ATOM 995 C THR A 69 25.407 1.689 13.732 1.00 0.00 C ATOM 996 O THR A 69 25.800 1.569 14.893 1.00 0.00 O ATOM 997 CB THR A 69 23.830 3.670 13.985 1.00 0.00 C ATOM 998 OG1 THR A 69 22.517 3.936 14.449 1.00 0.00 O ATOM 999 CG2 THR A 69 24.175 4.692 12.897 1.00 0.00 C ATOM 0 H THR A 69 23.348 1.068 15.081 1.00 0.00 H new ATOM 0 HA THR A 69 23.817 2.257 12.396 1.00 0.00 H new ATOM 0 HB THR A 69 24.519 3.765 14.824 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.433 3.641 15.380 1.00 0.00 H new ATOM 0 HG21 THR A 69 24.044 5.700 13.290 1.00 0.00 H new ATOM 0 HG22 THR A 69 25.211 4.556 12.585 1.00 0.00 H new ATOM 0 HG23 THR A 69 23.516 4.548 12.040 1.00 0.00 H new ATOM 1007 N GLY A 70 26.156 1.344 12.682 1.00 0.00 N ATOM 1008 CA GLY A 70 27.556 0.942 12.770 1.00 0.00 C ATOM 1009 C GLY A 70 27.810 -0.060 13.893 1.00 0.00 C ATOM 1010 O GLY A 70 28.697 0.174 14.707 1.00 0.00 O ATOM 0 H GLY A 70 25.795 1.337 11.728 1.00 0.00 H new ATOM 0 HA2 GLY A 70 27.865 0.504 11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.174 1.825 12.930 1.00 0.00 H new ATOM 1014 N SER A 71 26.989 -1.107 14.010 1.00 0.00 N ATOM 1015 CA SER A 71 26.989 -2.011 15.153 1.00 0.00 C ATOM 1016 C SER A 71 26.986 -3.467 14.685 1.00 0.00 C ATOM 1017 O SER A 71 26.595 -3.775 13.555 1.00 0.00 O ATOM 1018 CB SER A 71 25.776 -1.710 16.045 1.00 0.00 C ATOM 1019 OG SER A 71 25.886 -0.441 16.670 1.00 0.00 O ATOM 0 H SER A 71 26.297 -1.350 13.301 1.00 0.00 H new ATOM 0 HA SER A 71 27.896 -1.856 15.737 1.00 0.00 H new ATOM 0 HB2 SER A 71 24.866 -1.743 15.445 1.00 0.00 H new ATOM 0 HB3 SER A 71 25.684 -2.484 16.807 1.00 0.00 H new ATOM 0 HG SER A 71 25.647 0.261 16.029 1.00 0.00 H new ATOM 1025 N GLN A 72 27.414 -4.367 15.569 1.00 0.00 N ATOM 1026 CA GLN A 72 27.472 -5.800 15.332 1.00 0.00 C ATOM 1027 C GLN A 72 26.527 -6.418 16.360 1.00 0.00 C ATOM 1028 O GLN A 72 26.702 -6.181 17.556 1.00 0.00 O ATOM 1029 CB GLN A 72 28.930 -6.295 15.465 1.00 0.00 C ATOM 1030 CG GLN A 72 29.210 -7.688 14.874 1.00 0.00 C ATOM 1031 CD GLN A 72 28.353 -8.800 15.479 1.00 0.00 C ATOM 1032 OE1 GLN A 72 28.304 -8.978 16.691 1.00 0.00 O ATOM 1033 NE2 GLN A 72 27.630 -9.539 14.658 1.00 0.00 N ATOM 0 H GLN A 72 27.740 -4.105 16.499 1.00 0.00 H new ATOM 0 HA GLN A 72 27.162 -6.084 14.327 1.00 0.00 H new ATOM 0 HB2 GLN A 72 29.587 -5.574 14.978 1.00 0.00 H new ATOM 0 HB3 GLN A 72 29.197 -6.307 16.522 1.00 0.00 H new ATOM 0 HG2 GLN A 72 29.040 -7.656 13.798 1.00 0.00 H new ATOM 0 HG3 GLN A 72 30.262 -7.931 15.024 1.00 0.00 H new ATOM 0 HE21 GLN A 72 27.680 -9.381 13.652 1.00 0.00 H new ATOM 0 HE22 GLN A 72 27.022 -10.268 15.030 1.00 0.00 H new ATOM 1042 N TYR A 73 25.527 -7.175 15.912 1.00 0.00 N ATOM 1043 CA TYR A 73 24.605 -7.902 16.779 1.00 0.00 C ATOM 1044 C TYR A 73 24.875 -9.384 16.531 1.00 0.00 C ATOM 1045 O TYR A 73 24.892 -9.796 15.371 1.00 0.00 O ATOM 1046 CB TYR A 73 23.149 -7.571 16.404 1.00 0.00 C ATOM 1047 CG TYR A 73 22.613 -6.156 16.589 1.00 0.00 C ATOM 1048 CD1 TYR A 73 23.351 -5.124 17.205 1.00 0.00 C ATOM 1049 CD2 TYR A 73 21.314 -5.880 16.116 1.00 0.00 C ATOM 1050 CE1 TYR A 73 22.812 -3.829 17.310 1.00 0.00 C ATOM 1051 CE2 TYR A 73 20.760 -4.595 16.234 1.00 0.00 C ATOM 1052 CZ TYR A 73 21.510 -3.559 16.829 1.00 0.00 C ATOM 1053 OH TYR A 73 20.971 -2.313 16.919 1.00 0.00 O ATOM 0 H TYR A 73 25.332 -7.302 14.919 1.00 0.00 H new ATOM 0 HA TYR A 73 24.749 -7.632 17.825 1.00 0.00 H new ATOM 0 HB2 TYR A 73 23.018 -7.831 15.354 1.00 0.00 H new ATOM 0 HB3 TYR A 73 22.507 -8.238 16.980 1.00 0.00 H new ATOM 0 HD1 TYR A 73 24.336 -5.329 17.598 1.00 0.00 H new ATOM 0 HD2 TYR A 73 20.736 -6.668 15.656 1.00 0.00 H new ATOM 0 HE1 TYR A 73 23.394 -3.038 17.759 1.00 0.00 H new ATOM 0 HE2 TYR A 73 19.762 -4.400 15.870 1.00 0.00 H new ATOM 0 HH TYR A 73 21.679 -1.663 17.111 1.00 0.00 H new ATOM 1063 N ASN A 74 25.106 -10.197 17.561 1.00 0.00 N ATOM 1064 CA ASN A 74 25.378 -11.627 17.397 1.00 0.00 C ATOM 1065 C ASN A 74 24.604 -12.420 18.452 1.00 0.00 C ATOM 1066 O ASN A 74 24.947 -12.379 19.635 1.00 0.00 O ATOM 1067 CB ASN A 74 26.891 -11.904 17.493 1.00 0.00 C ATOM 1068 CG ASN A 74 27.222 -13.329 17.944 1.00 0.00 C ATOM 1069 OD1 ASN A 74 27.795 -13.527 19.011 1.00 0.00 O ATOM 1070 ND2 ASN A 74 26.888 -14.352 17.175 1.00 0.00 N ATOM 0 H ASN A 74 25.110 -9.885 18.532 1.00 0.00 H new ATOM 0 HA ASN A 74 25.046 -11.945 16.409 1.00 0.00 H new ATOM 0 HB2 ASN A 74 27.348 -11.724 16.520 1.00 0.00 H new ATOM 0 HB3 ASN A 74 27.338 -11.197 18.191 1.00 0.00 H new ATOM 0 HD21 ASN A 74 27.107 -15.304 17.469 1.00 0.00 H new ATOM 0 HD22 ASN A 74 26.412 -14.189 16.288 1.00 0.00 H new ATOM 1077 N GLY A 75 23.585 -13.165 18.026 1.00 0.00 N ATOM 1078 CA GLY A 75 22.775 -14.001 18.899 1.00 0.00 C ATOM 1079 C GLY A 75 22.001 -13.199 19.946 1.00 0.00 C ATOM 1080 O GLY A 75 21.929 -13.642 21.094 1.00 0.00 O ATOM 0 H GLY A 75 23.298 -13.202 17.048 1.00 0.00 H new ATOM 0 HA2 GLY A 75 22.071 -14.573 18.294 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.419 -14.721 19.404 1.00 0.00 H new ATOM 1084 N ILE A 76 21.459 -12.024 19.600 1.00 0.00 N ATOM 1085 CA ILE A 76 20.797 -11.136 20.563 1.00 0.00 C ATOM 1086 C ILE A 76 19.358 -10.824 20.136 1.00 0.00 C ATOM 1087 O ILE A 76 18.969 -11.052 18.990 1.00 0.00 O ATOM 1088 CB ILE A 76 21.658 -9.874 20.838 1.00 0.00 C ATOM 1089 CG1 ILE A 76 21.772 -8.849 19.688 1.00 0.00 C ATOM 1090 CG2 ILE A 76 23.099 -10.268 21.211 1.00 0.00 C ATOM 1091 CD1 ILE A 76 20.554 -7.943 19.494 1.00 0.00 C ATOM 0 H ILE A 76 21.467 -11.663 18.646 1.00 0.00 H new ATOM 0 HA ILE A 76 20.712 -11.655 21.518 1.00 0.00 H new ATOM 0 HB ILE A 76 21.115 -9.390 21.649 1.00 0.00 H new ATOM 0 HG12 ILE A 76 22.645 -8.222 19.868 1.00 0.00 H new ATOM 0 HG13 ILE A 76 21.954 -9.389 18.759 1.00 0.00 H new ATOM 0 HG21 ILE A 76 23.685 -9.368 21.400 1.00 0.00 H new ATOM 0 HG22 ILE A 76 23.086 -10.887 22.108 1.00 0.00 H new ATOM 0 HG23 ILE A 76 23.547 -10.828 20.390 1.00 0.00 H new ATOM 0 HD11 ILE A 76 20.736 -7.261 18.663 1.00 0.00 H new ATOM 0 HD12 ILE A 76 19.677 -8.553 19.277 1.00 0.00 H new ATOM 0 HD13 ILE A 76 20.380 -7.368 20.403 1.00 0.00 H new ATOM 1103 N TYR A 77 18.576 -10.262 21.051 1.00 0.00 N ATOM 1104 CA TYR A 77 17.223 -9.782 20.830 1.00 0.00 C ATOM 1105 C TYR A 77 17.191 -8.337 21.313 1.00 0.00 C ATOM 1106 O TYR A 77 17.636 -8.048 22.428 1.00 0.00 O ATOM 1107 CB TYR A 77 16.237 -10.674 21.598 1.00 0.00 C ATOM 1108 CG TYR A 77 14.805 -10.170 21.694 1.00 0.00 C ATOM 1109 CD1 TYR A 77 14.108 -9.729 20.550 1.00 0.00 C ATOM 1110 CD2 TYR A 77 14.148 -10.188 22.941 1.00 0.00 C ATOM 1111 CE1 TYR A 77 12.761 -9.333 20.645 1.00 0.00 C ATOM 1112 CE2 TYR A 77 12.803 -9.796 23.044 1.00 0.00 C ATOM 1113 CZ TYR A 77 12.095 -9.379 21.894 1.00 0.00 C ATOM 1114 OH TYR A 77 10.778 -9.040 22.001 1.00 0.00 O ATOM 0 H TYR A 77 18.887 -10.124 22.013 1.00 0.00 H new ATOM 0 HA TYR A 77 16.932 -9.822 19.780 1.00 0.00 H new ATOM 0 HB2 TYR A 77 16.223 -11.655 21.124 1.00 0.00 H new ATOM 0 HB3 TYR A 77 16.619 -10.814 22.609 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.611 -9.695 19.595 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.683 -10.506 23.824 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.235 -8.994 19.765 1.00 0.00 H new ATOM 0 HE2 TYR A 77 12.309 -9.813 24.004 1.00 0.00 H new ATOM 0 HH TYR A 77 10.298 -9.743 22.486 1.00 0.00 H new ATOM 1124 N ILE A 78 16.696 -7.422 20.482 1.00 0.00 N ATOM 1125 CA ILE A 78 16.681 -6.000 20.788 1.00 0.00 C ATOM 1126 C ILE A 78 15.368 -5.397 20.298 1.00 0.00 C ATOM 1127 O ILE A 78 14.929 -5.672 19.174 1.00 0.00 O ATOM 1128 CB ILE A 78 17.952 -5.322 20.227 1.00 0.00 C ATOM 1129 CG1 ILE A 78 17.973 -3.826 20.591 1.00 0.00 C ATOM 1130 CG2 ILE A 78 18.136 -5.529 18.713 1.00 0.00 C ATOM 1131 CD1 ILE A 78 19.355 -3.180 20.417 1.00 0.00 C ATOM 0 H ILE A 78 16.293 -7.651 19.574 1.00 0.00 H new ATOM 0 HA ILE A 78 16.715 -5.827 21.864 1.00 0.00 H new ATOM 0 HB ILE A 78 18.802 -5.813 20.701 1.00 0.00 H new ATOM 0 HG12 ILE A 78 17.251 -3.297 19.969 1.00 0.00 H new ATOM 0 HG13 ILE A 78 17.651 -3.706 21.625 1.00 0.00 H new ATOM 0 HG21 ILE A 78 19.047 -5.027 18.385 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.211 -6.595 18.498 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.281 -5.111 18.182 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.301 -2.126 20.690 1.00 0.00 H new ATOM 0 HD12 ILE A 78 20.076 -3.685 21.060 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.670 -3.270 19.377 1.00 0.00 H new ATOM 1143 N ARG A 79 14.731 -4.586 21.148 1.00 0.00 N ATOM 1144 CA ARG A 79 13.451 -3.968 20.837 1.00 0.00 C ATOM 1145 C ARG A 79 13.439 -2.504 21.250 1.00 0.00 C ATOM 1146 O ARG A 79 13.941 -2.151 22.324 1.00 0.00 O ATOM 1147 CB ARG A 79 12.283 -4.772 21.433 1.00 0.00 C ATOM 1148 CG ARG A 79 12.357 -4.946 22.956 1.00 0.00 C ATOM 1149 CD ARG A 79 11.274 -5.903 23.449 1.00 0.00 C ATOM 1150 NE ARG A 79 11.530 -6.275 24.845 1.00 0.00 N ATOM 1151 CZ ARG A 79 11.035 -7.320 25.510 1.00 0.00 C ATOM 1152 NH1 ARG A 79 10.241 -8.203 24.912 1.00 0.00 N ATOM 1153 NH2 ARG A 79 11.366 -7.458 26.788 1.00 0.00 N ATOM 0 H ARG A 79 15.093 -4.343 22.070 1.00 0.00 H new ATOM 0 HA ARG A 79 13.312 -3.987 19.756 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.347 -4.275 21.180 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.258 -5.757 20.966 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.339 -5.327 23.235 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.241 -3.978 23.443 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.295 -5.432 23.363 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.254 -6.796 22.824 1.00 0.00 H new ATOM 0 HE ARG A 79 12.159 -5.664 25.367 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.000 -8.088 23.927 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.873 -8.996 25.438 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.981 -6.776 27.232 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.005 -8.246 27.326 1.00 0.00 H new ATOM 1167 N SER A 80 12.831 -1.672 20.408 1.00 0.00 N ATOM 1168 CA SER A 80 12.569 -0.259 20.652 1.00 0.00 C ATOM 1169 C SER A 80 13.821 0.532 21.078 1.00 0.00 C ATOM 1170 O SER A 80 13.713 1.461 21.879 1.00 0.00 O ATOM 1171 CB SER A 80 11.405 -0.155 21.647 1.00 0.00 C ATOM 1172 OG SER A 80 10.291 -0.918 21.200 1.00 0.00 O ATOM 0 H SER A 80 12.493 -1.980 19.496 1.00 0.00 H new ATOM 0 HA SER A 80 12.280 0.221 19.717 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.725 -0.509 22.627 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.113 0.889 21.765 1.00 0.00 H new ATOM 0 HG SER A 80 9.560 -0.840 21.848 1.00 0.00 H new ATOM 1178 N SER A 81 15.005 0.169 20.569 1.00 0.00 N ATOM 1179 CA SER A 81 16.290 0.683 21.044 1.00 0.00 C ATOM 1180 C SER A 81 17.100 1.346 19.918 1.00 0.00 C ATOM 1181 O SER A 81 16.702 1.321 18.753 1.00 0.00 O ATOM 1182 CB SER A 81 17.057 -0.484 21.676 1.00 0.00 C ATOM 1183 OG SER A 81 16.371 -1.004 22.802 1.00 0.00 O ATOM 0 H SER A 81 15.095 -0.500 19.804 1.00 0.00 H new ATOM 0 HA SER A 81 16.119 1.465 21.784 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.196 -1.273 20.937 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.050 -0.149 21.976 1.00 0.00 H new ATOM 0 HG SER A 81 15.523 -1.402 22.514 1.00 0.00 H new ATOM 1189 N THR A 82 18.251 1.934 20.248 1.00 0.00 N ATOM 1190 CA THR A 82 19.181 2.521 19.285 1.00 0.00 C ATOM 1191 C THR A 82 20.602 2.115 19.684 1.00 0.00 C ATOM 1192 O THR A 82 20.909 2.056 20.879 1.00 0.00 O ATOM 1193 CB THR A 82 19.001 4.053 19.268 1.00 0.00 C ATOM 1194 OG1 THR A 82 17.667 4.399 18.942 1.00 0.00 O ATOM 1195 CG2 THR A 82 19.916 4.761 18.261 1.00 0.00 C ATOM 0 H THR A 82 18.569 2.017 21.214 1.00 0.00 H new ATOM 0 HA THR A 82 18.986 2.158 18.276 1.00 0.00 H new ATOM 0 HB THR A 82 19.264 4.383 20.273 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.574 5.375 18.938 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.738 5.836 18.301 1.00 0.00 H new ATOM 0 HG22 THR A 82 20.957 4.556 18.509 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.704 4.395 17.256 1.00 0.00 H new ATOM 1203 N THR A 83 21.472 1.854 18.707 1.00 0.00 N ATOM 1204 CA THR A 83 22.862 1.469 18.939 1.00 0.00 C ATOM 1205 C THR A 83 23.752 2.295 17.999 1.00 0.00 C ATOM 1206 O THR A 83 23.274 2.771 16.960 1.00 0.00 O ATOM 1207 CB THR A 83 23.027 -0.057 18.794 1.00 0.00 C ATOM 1208 OG1 THR A 83 22.905 -0.477 17.450 1.00 0.00 O ATOM 1209 CG2 THR A 83 22.009 -0.847 19.628 1.00 0.00 C ATOM 0 H THR A 83 21.226 1.905 17.719 1.00 0.00 H new ATOM 0 HA THR A 83 23.174 1.691 19.959 1.00 0.00 H new ATOM 0 HB THR A 83 24.032 -0.266 19.162 1.00 0.00 H new ATOM 0 HG1 THR A 83 23.769 -0.382 16.998 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.173 -1.915 19.486 1.00 0.00 H new ATOM 0 HG22 THR A 83 22.131 -0.598 20.682 1.00 0.00 H new ATOM 0 HG23 THR A 83 20.999 -0.590 19.309 1.00 0.00 H new ATOM 1217 N THR A 84 25.019 2.535 18.350 1.00 0.00 N ATOM 1218 CA THR A 84 25.945 3.346 17.568 1.00 0.00 C ATOM 1219 C THR A 84 27.386 2.946 17.915 1.00 0.00 C ATOM 1220 O THR A 84 27.872 3.262 19.005 1.00 0.00 O ATOM 1221 CB THR A 84 25.689 4.847 17.817 1.00 0.00 C ATOM 1222 OG1 THR A 84 24.334 5.197 17.599 1.00 0.00 O ATOM 1223 CG2 THR A 84 26.526 5.720 16.873 1.00 0.00 C ATOM 0 H THR A 84 25.434 2.161 19.204 1.00 0.00 H new ATOM 0 HA THR A 84 25.786 3.166 16.505 1.00 0.00 H new ATOM 0 HB THR A 84 25.963 5.022 18.857 1.00 0.00 H new ATOM 0 HG1 THR A 84 24.212 6.155 17.768 1.00 0.00 H new ATOM 0 HG21 THR A 84 26.323 6.772 17.074 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.585 5.518 17.034 1.00 0.00 H new ATOM 0 HG23 THR A 84 26.266 5.491 15.840 1.00 0.00 H new ATOM 1231 N GLY A 85 28.099 2.292 16.991 1.00 0.00 N ATOM 1232 CA GLY A 85 29.495 1.921 17.216 1.00 0.00 C ATOM 1233 C GLY A 85 29.588 0.905 18.349 1.00 0.00 C ATOM 1234 O GLY A 85 30.359 1.105 19.291 1.00 0.00 O ATOM 0 H GLY A 85 27.730 2.010 16.083 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.920 1.501 16.304 1.00 0.00 H new ATOM 0 HA3 GLY A 85 30.080 2.807 17.462 1.00 0.00 H new ATOM 1238 N THR A 86 28.784 -0.154 18.290 1.00 0.00 N ATOM 1239 CA THR A 86 28.601 -1.064 19.411 1.00 0.00 C ATOM 1240 C THR A 86 28.580 -2.521 18.954 1.00 0.00 C ATOM 1241 O THR A 86 27.840 -2.882 18.039 1.00 0.00 O ATOM 1242 CB THR A 86 27.289 -0.675 20.135 1.00 0.00 C ATOM 1243 OG1 THR A 86 26.385 0.085 19.345 1.00 0.00 O ATOM 1244 CG2 THR A 86 27.566 0.219 21.333 1.00 0.00 C ATOM 0 H THR A 86 28.242 -0.403 17.462 1.00 0.00 H new ATOM 0 HA THR A 86 29.442 -0.975 20.099 1.00 0.00 H new ATOM 0 HB THR A 86 26.854 -1.640 20.396 1.00 0.00 H new ATOM 0 HG1 THR A 86 26.317 -0.312 18.452 1.00 0.00 H new ATOM 0 HG21 THR A 86 26.626 0.475 21.821 1.00 0.00 H new ATOM 0 HG22 THR A 86 28.209 -0.307 22.039 1.00 0.00 H new ATOM 0 HG23 THR A 86 28.062 1.131 21.000 1.00 0.00 H new ATOM 1252 N SER A 87 29.386 -3.368 19.591 1.00 0.00 N ATOM 1253 CA SER A 87 29.308 -4.814 19.422 1.00 0.00 C ATOM 1254 C SER A 87 28.448 -5.343 20.568 1.00 0.00 C ATOM 1255 O SER A 87 28.632 -4.922 21.714 1.00 0.00 O ATOM 1256 CB SER A 87 30.707 -5.432 19.458 1.00 0.00 C ATOM 1257 OG SER A 87 31.563 -4.811 18.513 1.00 0.00 O ATOM 0 H SER A 87 30.113 -3.068 20.240 1.00 0.00 H new ATOM 0 HA SER A 87 28.870 -5.075 18.459 1.00 0.00 H new ATOM 0 HB2 SER A 87 31.128 -5.329 20.458 1.00 0.00 H new ATOM 0 HB3 SER A 87 30.642 -6.500 19.248 1.00 0.00 H new ATOM 0 HG SER A 87 32.451 -5.222 18.557 1.00 0.00 H new ATOM 1263 N ILE A 88 27.502 -6.235 20.272 1.00 0.00 N ATOM 1264 CA ILE A 88 26.467 -6.678 21.195 1.00 0.00 C ATOM 1265 C ILE A 88 26.309 -8.186 20.991 1.00 0.00 C ATOM 1266 O ILE A 88 26.010 -8.638 19.882 1.00 0.00 O ATOM 1267 CB ILE A 88 25.149 -5.906 20.927 1.00 0.00 C ATOM 1268 CG1 ILE A 88 25.376 -4.373 20.903 1.00 0.00 C ATOM 1269 CG2 ILE A 88 24.084 -6.300 21.960 1.00 0.00 C ATOM 1270 CD1 ILE A 88 24.104 -3.524 20.894 1.00 0.00 C ATOM 0 H ILE A 88 27.436 -6.679 19.356 1.00 0.00 H new ATOM 0 HA ILE A 88 26.734 -6.475 22.232 1.00 0.00 H new ATOM 0 HB ILE A 88 24.788 -6.186 19.937 1.00 0.00 H new ATOM 0 HG12 ILE A 88 25.971 -4.097 21.773 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.966 -4.123 20.021 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.164 -5.751 21.761 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.890 -7.370 21.892 1.00 0.00 H new ATOM 0 HG23 ILE A 88 24.441 -6.058 22.961 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.372 -2.468 20.877 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.513 -3.763 20.010 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.519 -3.736 21.789 1.00 0.00 H new ATOM 1282 N SER A 89 26.516 -8.963 22.052 1.00 0.00 N ATOM 1283 CA SER A 89 26.539 -10.419 22.001 1.00 0.00 C ATOM 1284 C SER A 89 25.954 -11.012 23.287 1.00 0.00 C ATOM 1285 O SER A 89 25.677 -10.289 24.246 1.00 0.00 O ATOM 1286 CB SER A 89 27.976 -10.888 21.714 1.00 0.00 C ATOM 1287 OG SER A 89 28.927 -10.248 22.554 1.00 0.00 O ATOM 0 H SER A 89 26.675 -8.589 22.988 1.00 0.00 H new ATOM 0 HA SER A 89 25.907 -10.781 21.190 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.039 -11.967 21.853 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.221 -10.686 20.671 1.00 0.00 H new ATOM 0 HG SER A 89 29.825 -10.576 22.340 1.00 0.00 H new ATOM 1293 N GLY A 90 25.762 -12.332 23.318 1.00 0.00 N ATOM 1294 CA GLY A 90 25.406 -13.066 24.528 1.00 0.00 C ATOM 1295 C GLY A 90 25.983 -14.481 24.439 1.00 0.00 C ATOM 1296 O GLY A 90 27.030 -14.724 25.044 1.00 0.00 O ATOM 0 H GLY A 90 25.851 -12.926 22.493 1.00 0.00 H new ATOM 0 HA2 GLY A 90 25.797 -12.554 25.408 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.322 -13.107 24.638 1.00 0.00 H new ATOM 1300 N PRO A 91 25.394 -15.393 23.641 1.00 0.00 N ATOM 1301 CA PRO A 91 24.100 -15.254 22.977 1.00 0.00 C ATOM 1302 C PRO A 91 22.948 -15.354 23.993 1.00 0.00 C ATOM 1303 O PRO A 91 23.158 -15.683 25.165 1.00 0.00 O ATOM 1304 CB PRO A 91 24.061 -16.398 21.956 1.00 0.00 C ATOM 1305 CG PRO A 91 24.879 -17.496 22.631 1.00 0.00 C ATOM 1306 CD PRO A 91 25.957 -16.711 23.376 1.00 0.00 C ATOM 0 HA PRO A 91 23.980 -14.283 22.496 1.00 0.00 H new ATOM 0 HB2 PRO A 91 23.040 -16.723 21.754 1.00 0.00 H new ATOM 0 HB3 PRO A 91 24.496 -16.101 21.002 1.00 0.00 H new ATOM 0 HG2 PRO A 91 24.271 -18.092 23.311 1.00 0.00 H new ATOM 0 HG3 PRO A 91 25.310 -18.183 21.903 1.00 0.00 H new ATOM 0 HD2 PRO A 91 26.230 -17.211 24.305 1.00 0.00 H new ATOM 0 HD3 PRO A 91 26.865 -16.633 22.778 1.00 0.00 H new ATOM 1314 N GLY A 92 21.726 -15.064 23.546 1.00 0.00 N ATOM 1315 CA GLY A 92 20.533 -15.048 24.389 1.00 0.00 C ATOM 1316 C GLY A 92 20.367 -13.711 25.114 1.00 0.00 C ATOM 1317 O GLY A 92 19.599 -13.622 26.074 1.00 0.00 O ATOM 0 H GLY A 92 21.535 -14.830 22.572 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.652 -15.241 23.776 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.594 -15.853 25.121 1.00 0.00 H new ATOM 1321 N CYS A 93 21.097 -12.679 24.677 1.00 0.00 N ATOM 1322 CA CYS A 93 20.954 -11.321 25.177 1.00 0.00 C ATOM 1323 C CYS A 93 19.581 -10.778 24.807 1.00 0.00 C ATOM 1324 O CYS A 93 19.062 -11.075 23.730 1.00 0.00 O ATOM 1325 CB CYS A 93 22.066 -10.451 24.575 1.00 0.00 C ATOM 1326 SG CYS A 93 21.840 -8.656 24.691 1.00 0.00 S ATOM 0 H CYS A 93 21.812 -12.772 23.956 1.00 0.00 H new ATOM 0 HA CYS A 93 21.042 -11.310 26.263 1.00 0.00 H new ATOM 0 HB2 CYS A 93 23.005 -10.709 25.065 1.00 0.00 H new ATOM 0 HB3 CYS A 93 22.173 -10.714 23.523 1.00 0.00 H new ATOM 1331 N SER A 94 19.063 -9.911 25.670 1.00 0.00 N ATOM 1332 CA SER A 94 17.802 -9.220 25.517 1.00 0.00 C ATOM 1333 C SER A 94 18.045 -7.756 25.882 1.00 0.00 C ATOM 1334 O SER A 94 18.656 -7.481 26.917 1.00 0.00 O ATOM 1335 CB SER A 94 16.792 -9.874 26.464 1.00 0.00 C ATOM 1336 OG SER A 94 16.469 -11.185 26.024 1.00 0.00 O ATOM 0 H SER A 94 19.541 -9.663 26.537 1.00 0.00 H new ATOM 0 HA SER A 94 17.410 -9.276 24.501 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.204 -9.914 27.472 1.00 0.00 H new ATOM 0 HB3 SER A 94 15.887 -9.268 26.514 1.00 0.00 H new ATOM 0 HG SER A 94 15.824 -11.588 26.642 1.00 0.00 H new ATOM 1342 N ILE A 95 17.582 -6.830 25.042 1.00 0.00 N ATOM 1343 CA ILE A 95 17.721 -5.385 25.208 1.00 0.00 C ATOM 1344 C ILE A 95 16.348 -4.785 24.903 1.00 0.00 C ATOM 1345 O ILE A 95 15.750 -5.106 23.873 1.00 0.00 O ATOM 1346 CB ILE A 95 18.816 -4.844 24.250 1.00 0.00 C ATOM 1347 CG1 ILE A 95 20.220 -5.320 24.672 1.00 0.00 C ATOM 1348 CG2 ILE A 95 18.824 -3.302 24.200 1.00 0.00 C ATOM 1349 CD1 ILE A 95 21.289 -5.135 23.591 1.00 0.00 C ATOM 0 H ILE A 95 17.078 -7.079 24.191 1.00 0.00 H new ATOM 0 HA ILE A 95 18.033 -5.116 26.217 1.00 0.00 H new ATOM 0 HB ILE A 95 18.574 -5.237 23.263 1.00 0.00 H new ATOM 0 HG12 ILE A 95 20.524 -4.776 25.566 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.169 -6.375 24.942 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.605 -2.964 23.518 1.00 0.00 H new ATOM 0 HG22 ILE A 95 17.856 -2.944 23.849 1.00 0.00 H new ATOM 0 HG23 ILE A 95 19.017 -2.907 25.197 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.249 -5.493 23.963 1.00 0.00 H new ATOM 0 HD12 ILE A 95 21.010 -5.702 22.703 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.370 -4.078 23.337 1.00 0.00 H new ATOM 1361 N SER A 96 15.869 -3.889 25.765 1.00 0.00 N ATOM 1362 CA SER A 96 14.592 -3.212 25.611 1.00 0.00 C ATOM 1363 C SER A 96 14.783 -1.726 25.903 1.00 0.00 C ATOM 1364 O SER A 96 15.365 -1.375 26.935 1.00 0.00 O ATOM 1365 CB SER A 96 13.559 -3.800 26.583 1.00 0.00 C ATOM 1366 OG SER A 96 13.534 -5.220 26.549 1.00 0.00 O ATOM 0 H SER A 96 16.373 -3.611 26.607 1.00 0.00 H new ATOM 0 HA SER A 96 14.230 -3.349 24.592 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.786 -3.467 27.596 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.570 -3.415 26.335 1.00 0.00 H new ATOM 0 HG SER A 96 13.593 -5.570 27.462 1.00 0.00 H new ATOM 1372 N THR A 97 14.255 -0.878 25.016 1.00 0.00 N ATOM 1373 CA THR A 97 14.148 0.572 25.195 1.00 0.00 C ATOM 1374 C THR A 97 15.458 1.248 25.657 1.00 0.00 C ATOM 1375 O THR A 97 15.439 2.196 26.445 1.00 0.00 O ATOM 1376 CB THR A 97 12.877 0.916 26.017 1.00 0.00 C ATOM 1377 OG1 THR A 97 12.621 0.017 27.082 1.00 0.00 O ATOM 1378 CG2 THR A 97 11.628 0.866 25.132 1.00 0.00 C ATOM 0 H THR A 97 13.877 -1.194 24.123 1.00 0.00 H new ATOM 0 HA THR A 97 14.006 1.030 24.216 1.00 0.00 H new ATOM 0 HB THR A 97 13.076 1.911 26.415 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.132 0.292 27.872 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.749 1.110 25.729 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.728 1.587 24.321 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.517 -0.135 24.716 1.00 0.00 H new ATOM 1386 N CYS A 98 16.606 0.773 25.161 1.00 0.00 N ATOM 1387 CA CYS A 98 17.927 1.299 25.491 1.00 0.00 C ATOM 1388 C CYS A 98 18.463 2.187 24.370 1.00 0.00 C ATOM 1389 O CYS A 98 18.050 2.090 23.214 1.00 0.00 O ATOM 1390 CB CYS A 98 18.910 0.134 25.682 1.00 0.00 C ATOM 1391 SG CYS A 98 18.649 -0.902 27.142 1.00 0.00 S ATOM 0 H CYS A 98 16.639 -0.006 24.504 1.00 0.00 H new ATOM 0 HA CYS A 98 17.833 1.886 26.404 1.00 0.00 H new ATOM 0 HB2 CYS A 98 18.863 -0.502 24.798 1.00 0.00 H new ATOM 0 HB3 CYS A 98 19.920 0.542 25.728 1.00 0.00 H new ATOM 1396 N THR A 99 19.462 2.996 24.705 1.00 0.00 N ATOM 1397 CA THR A 99 20.264 3.743 23.755 1.00 0.00 C ATOM 1398 C THR A 99 21.693 3.365 24.134 1.00 0.00 C ATOM 1399 O THR A 99 22.044 3.393 25.315 1.00 0.00 O ATOM 1400 CB THR A 99 19.968 5.248 23.863 1.00 0.00 C ATOM 1401 OG1 THR A 99 18.589 5.494 23.647 1.00 0.00 O ATOM 1402 CG2 THR A 99 20.762 6.064 22.838 1.00 0.00 C ATOM 0 H THR A 99 19.741 3.152 25.674 1.00 0.00 H new ATOM 0 HA THR A 99 20.059 3.511 22.710 1.00 0.00 H new ATOM 0 HB THR A 99 20.263 5.555 24.866 1.00 0.00 H new ATOM 0 HG1 THR A 99 18.413 6.455 23.720 1.00 0.00 H new ATOM 0 HG21 THR A 99 20.522 7.121 22.950 1.00 0.00 H new ATOM 0 HG22 THR A 99 21.829 5.915 23.002 1.00 0.00 H new ATOM 0 HG23 THR A 99 20.500 5.737 21.832 1.00 0.00 H new ATOM 1410 N ILE A 100 22.495 2.925 23.169 1.00 0.00 N ATOM 1411 CA ILE A 100 23.812 2.362 23.428 1.00 0.00 C ATOM 1412 C ILE A 100 24.749 3.017 22.421 1.00 0.00 C ATOM 1413 O ILE A 100 24.384 3.215 21.261 1.00 0.00 O ATOM 1414 CB ILE A 100 23.798 0.810 23.340 1.00 0.00 C ATOM 1415 CG1 ILE A 100 22.524 0.179 23.966 1.00 0.00 C ATOM 1416 CG2 ILE A 100 25.047 0.233 24.038 1.00 0.00 C ATOM 1417 CD1 ILE A 100 22.488 -1.354 23.961 1.00 0.00 C ATOM 0 H ILE A 100 22.246 2.950 22.180 1.00 0.00 H new ATOM 0 HA ILE A 100 24.151 2.568 24.443 1.00 0.00 H new ATOM 0 HB ILE A 100 23.800 0.556 22.280 1.00 0.00 H new ATOM 0 HG12 ILE A 100 22.434 0.526 24.995 1.00 0.00 H new ATOM 0 HG13 ILE A 100 21.652 0.549 23.427 1.00 0.00 H new ATOM 0 HG21 ILE A 100 25.030 -0.855 23.972 1.00 0.00 H new ATOM 0 HG22 ILE A 100 25.945 0.612 23.550 1.00 0.00 H new ATOM 0 HG23 ILE A 100 25.050 0.533 25.086 1.00 0.00 H new ATOM 0 HD11 ILE A 100 21.560 -1.698 24.419 1.00 0.00 H new ATOM 0 HD12 ILE A 100 22.542 -1.716 22.934 1.00 0.00 H new ATOM 0 HD13 ILE A 100 23.336 -1.740 24.527 1.00 0.00 H new ATOM 1429 N THR A 101 25.937 3.424 22.852 1.00 0.00 N ATOM 1430 CA THR A 101 26.897 4.109 22.004 1.00 0.00 C ATOM 1431 C THR A 101 28.294 3.769 22.520 1.00 0.00 C ATOM 1432 O THR A 101 28.522 3.792 23.730 1.00 0.00 O ATOM 1433 CB THR A 101 26.591 5.621 22.025 1.00 0.00 C ATOM 1434 OG1 THR A 101 25.297 5.866 21.500 1.00 0.00 O ATOM 1435 CG2 THR A 101 27.581 6.463 21.215 1.00 0.00 C ATOM 0 H THR A 101 26.261 3.285 23.809 1.00 0.00 H new ATOM 0 HA THR A 101 26.835 3.791 20.963 1.00 0.00 H new ATOM 0 HB THR A 101 26.669 5.916 23.071 1.00 0.00 H new ATOM 0 HG1 THR A 101 25.113 6.828 21.520 1.00 0.00 H new ATOM 0 HG21 THR A 101 27.301 7.514 21.277 1.00 0.00 H new ATOM 0 HG22 THR A 101 28.585 6.331 21.617 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.563 6.144 20.173 1.00 0.00 H new ATOM 1443 N ARG A 102 29.220 3.437 21.610 1.00 0.00 N ATOM 1444 CA ARG A 102 30.627 3.122 21.900 1.00 0.00 C ATOM 1445 C ARG A 102 30.785 2.225 23.141 1.00 0.00 C ATOM 1446 O ARG A 102 31.607 2.496 24.015 1.00 0.00 O ATOM 1447 CB ARG A 102 31.449 4.427 21.975 1.00 0.00 C ATOM 1448 CG ARG A 102 31.364 5.314 20.717 1.00 0.00 C ATOM 1449 CD ARG A 102 31.962 4.664 19.462 1.00 0.00 C ATOM 1450 NE ARG A 102 31.636 5.434 18.249 1.00 0.00 N ATOM 1451 CZ ARG A 102 31.971 5.089 17.000 1.00 0.00 C ATOM 1452 NH1 ARG A 102 32.743 4.031 16.771 1.00 0.00 N ATOM 1453 NH2 ARG A 102 31.520 5.807 15.976 1.00 0.00 N ATOM 0 H ARG A 102 29.003 3.378 20.615 1.00 0.00 H new ATOM 0 HA ARG A 102 31.028 2.527 21.079 1.00 0.00 H new ATOM 0 HB2 ARG A 102 31.110 5.005 22.834 1.00 0.00 H new ATOM 0 HB3 ARG A 102 32.494 4.173 22.154 1.00 0.00 H new ATOM 0 HG2 ARG A 102 30.319 5.559 20.526 1.00 0.00 H new ATOM 0 HG3 ARG A 102 31.881 6.254 20.910 1.00 0.00 H new ATOM 0 HD2 ARG A 102 33.044 4.592 19.569 1.00 0.00 H new ATOM 0 HD3 ARG A 102 31.583 3.647 19.362 1.00 0.00 H new ATOM 0 HE ARG A 102 31.112 6.301 18.371 1.00 0.00 H new ATOM 0 HH11 ARG A 102 33.087 3.472 17.552 1.00 0.00 H new ATOM 0 HH12 ARG A 102 32.991 3.778 15.814 1.00 0.00 H new ATOM 0 HH21 ARG A 102 30.922 6.616 16.144 1.00 0.00 H new ATOM 0 HH22 ARG A 102 31.772 5.549 15.022 1.00 0.00 H new ATOM 1467 N GLY A 103 29.982 1.158 23.227 1.00 0.00 N ATOM 1468 CA GLY A 103 30.102 0.140 24.266 1.00 0.00 C ATOM 1469 C GLY A 103 29.400 0.485 25.582 1.00 0.00 C ATOM 1470 O GLY A 103 29.516 -0.300 26.524 1.00 0.00 O ATOM 0 H GLY A 103 29.224 0.979 22.568 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.694 -0.797 23.887 1.00 0.00 H new ATOM 0 HA3 GLY A 103 31.159 -0.031 24.468 1.00 0.00 H new ATOM 1474 N VAL A 104 28.674 1.606 25.679 1.00 0.00 N ATOM 1475 CA VAL A 104 28.054 2.065 26.922 1.00 0.00 C ATOM 1476 C VAL A 104 26.564 2.304 26.659 1.00 0.00 C ATOM 1477 O VAL A 104 26.207 2.996 25.704 1.00 0.00 O ATOM 1478 CB VAL A 104 28.786 3.334 27.425 1.00 0.00 C ATOM 1479 CG1 VAL A 104 28.221 3.822 28.767 1.00 0.00 C ATOM 1480 CG2 VAL A 104 30.296 3.097 27.610 1.00 0.00 C ATOM 0 H VAL A 104 28.501 2.224 24.886 1.00 0.00 H new ATOM 0 HA VAL A 104 28.140 1.317 27.710 1.00 0.00 H new ATOM 0 HB VAL A 104 28.625 4.088 26.655 1.00 0.00 H new ATOM 0 HG11 VAL A 104 28.761 4.714 29.086 1.00 0.00 H new ATOM 0 HG12 VAL A 104 27.163 4.060 28.652 1.00 0.00 H new ATOM 0 HG13 VAL A 104 28.337 3.040 29.517 1.00 0.00 H new ATOM 0 HG21 VAL A 104 30.768 4.014 27.964 1.00 0.00 H new ATOM 0 HG22 VAL A 104 30.453 2.303 28.340 1.00 0.00 H new ATOM 0 HG23 VAL A 104 30.738 2.806 26.657 1.00 0.00 H new ATOM 1490 N ALA A 105 25.693 1.714 27.487 1.00 0.00 N ATOM 1491 CA ALA A 105 24.253 1.956 27.458 1.00 0.00 C ATOM 1492 C ALA A 105 23.910 3.161 28.340 1.00 0.00 C ATOM 1493 O ALA A 105 24.612 3.437 29.318 1.00 0.00 O ATOM 1494 CB ALA A 105 23.508 0.709 27.948 1.00 0.00 C ATOM 0 H ALA A 105 25.977 1.047 28.204 1.00 0.00 H new ATOM 0 HA ALA A 105 23.944 2.171 26.435 1.00 0.00 H new ATOM 0 HB1 ALA A 105 22.434 0.894 27.925 1.00 0.00 H new ATOM 0 HB2 ALA A 105 23.745 -0.135 27.300 1.00 0.00 H new ATOM 0 HB3 ALA A 105 23.815 0.480 28.969 1.00 0.00 H new ATOM 1500 N THR A 106 22.822 3.863 28.025 1.00 0.00 N ATOM 1501 CA THR A 106 22.315 4.960 28.838 1.00 0.00 C ATOM 1502 C THR A 106 21.882 4.453 30.229 1.00 0.00 C ATOM 1503 O THR A 106 21.382 3.329 30.345 1.00 0.00 O ATOM 1504 CB THR A 106 21.160 5.661 28.096 1.00 0.00 C ATOM 1505 OG1 THR A 106 20.272 4.725 27.499 1.00 0.00 O ATOM 1506 CG2 THR A 106 21.706 6.575 26.993 1.00 0.00 C ATOM 0 H THR A 106 22.265 3.682 27.190 1.00 0.00 H new ATOM 0 HA THR A 106 23.109 5.690 28.998 1.00 0.00 H new ATOM 0 HB THR A 106 20.617 6.245 28.839 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.552 5.205 27.039 1.00 0.00 H new ATOM 0 HG21 THR A 106 20.876 7.062 26.480 1.00 0.00 H new ATOM 0 HG22 THR A 106 22.353 7.332 27.435 1.00 0.00 H new ATOM 0 HG23 THR A 106 22.277 5.982 26.279 1.00 0.00 H new ATOM 1514 N PRO A 107 22.022 5.269 31.292 1.00 0.00 N ATOM 1515 CA PRO A 107 21.618 4.906 32.650 1.00 0.00 C ATOM 1516 C PRO A 107 20.120 5.133 32.924 1.00 0.00 C ATOM 1517 O PRO A 107 19.674 5.043 34.071 1.00 0.00 O ATOM 1518 CB PRO A 107 22.506 5.773 33.552 1.00 0.00 C ATOM 1519 CG PRO A 107 22.622 7.067 32.748 1.00 0.00 C ATOM 1520 CD PRO A 107 22.689 6.564 31.306 1.00 0.00 C ATOM 0 HA PRO A 107 21.749 3.839 32.831 1.00 0.00 H new ATOM 0 HB2 PRO A 107 22.053 5.941 34.529 1.00 0.00 H new ATOM 0 HB3 PRO A 107 23.479 5.314 33.727 1.00 0.00 H new ATOM 0 HG2 PRO A 107 21.765 7.721 32.909 1.00 0.00 H new ATOM 0 HG3 PRO A 107 23.512 7.634 33.020 1.00 0.00 H new ATOM 0 HD2 PRO A 107 22.197 7.262 30.628 1.00 0.00 H new ATOM 0 HD3 PRO A 107 23.723 6.472 30.974 1.00 0.00 H new ATOM 1528 N ALA A 108 19.352 5.467 31.887 1.00 0.00 N ATOM 1529 CA ALA A 108 17.932 5.771 31.982 1.00 0.00 C ATOM 1530 C ALA A 108 17.161 4.511 32.377 1.00 0.00 C ATOM 1531 O ALA A 108 17.445 3.427 31.861 1.00 0.00 O ATOM 1532 CB ALA A 108 17.432 6.303 30.632 1.00 0.00 C ATOM 0 H ALA A 108 19.713 5.534 30.935 1.00 0.00 H new ATOM 0 HA ALA A 108 17.770 6.533 32.744 1.00 0.00 H new ATOM 0 HB1 ALA A 108 16.368 6.531 30.702 1.00 0.00 H new ATOM 0 HB2 ALA A 108 17.981 7.208 30.372 1.00 0.00 H new ATOM 0 HB3 ALA A 108 17.591 5.548 29.862 1.00 0.00 H new ATOM 1538 N ALA A 109 16.132 4.664 33.216 1.00 0.00 N ATOM 1539 CA ALA A 109 15.260 3.564 33.631 1.00 0.00 C ATOM 1540 C ALA A 109 14.496 2.942 32.452 1.00 0.00 C ATOM 1541 O ALA A 109 13.987 1.825 32.571 1.00 0.00 O ATOM 1542 CB ALA A 109 14.281 4.061 34.701 1.00 0.00 C ATOM 0 H ALA A 109 15.880 5.562 33.629 1.00 0.00 H new ATOM 0 HA ALA A 109 15.893 2.778 34.044 1.00 0.00 H new ATOM 0 HB1 ALA A 109 13.632 3.241 35.009 1.00 0.00 H new ATOM 0 HB2 ALA A 109 14.839 4.426 35.563 1.00 0.00 H new ATOM 0 HB3 ALA A 109 13.675 4.869 34.292 1.00 0.00 H new ATOM 1548 N ALA A 110 14.412 3.636 31.310 1.00 0.00 N ATOM 1549 CA ALA A 110 13.839 3.078 30.092 1.00 0.00 C ATOM 1550 C ALA A 110 14.654 1.873 29.607 1.00 0.00 C ATOM 1551 O ALA A 110 14.068 0.907 29.121 1.00 0.00 O ATOM 1552 CB ALA A 110 13.787 4.158 29.006 1.00 0.00 C ATOM 0 H ALA A 110 14.740 4.597 31.211 1.00 0.00 H new ATOM 0 HA ALA A 110 12.827 2.735 30.307 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.358 3.739 28.096 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.170 4.989 29.348 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.796 4.516 28.800 1.00 0.00 H new ATOM 1558 N CYS A 111 15.978 1.893 29.774 1.00 0.00 N ATOM 1559 CA CYS A 111 16.841 0.825 29.301 1.00 0.00 C ATOM 1560 C CYS A 111 16.732 -0.379 30.235 1.00 0.00 C ATOM 1561 O CYS A 111 16.968 -0.253 31.440 1.00 0.00 O ATOM 1562 CB CYS A 111 18.286 1.335 29.223 1.00 0.00 C ATOM 1563 SG CYS A 111 19.519 0.118 28.678 1.00 0.00 S ATOM 0 H CYS A 111 16.475 2.652 30.241 1.00 0.00 H new ATOM 0 HA CYS A 111 16.530 0.511 28.305 1.00 0.00 H new ATOM 0 HB2 CYS A 111 18.316 2.186 28.542 1.00 0.00 H new ATOM 0 HB3 CYS A 111 18.576 1.704 30.207 1.00 0.00 H new ATOM 1568 N LYS A 112 16.428 -1.551 29.676 1.00 0.00 N ATOM 1569 CA LYS A 112 16.491 -2.847 30.350 1.00 0.00 C ATOM 1570 C LYS A 112 17.385 -3.730 29.486 1.00 0.00 C ATOM 1571 O LYS A 112 17.238 -3.741 28.263 1.00 0.00 O ATOM 1572 CB LYS A 112 15.094 -3.488 30.487 1.00 0.00 C ATOM 1573 CG LYS A 112 14.409 -3.291 31.850 1.00 0.00 C ATOM 1574 CD LYS A 112 13.900 -1.879 32.169 1.00 0.00 C ATOM 1575 CE LYS A 112 12.904 -1.368 31.118 1.00 0.00 C ATOM 1576 NZ LYS A 112 12.195 -0.150 31.578 1.00 0.00 N ATOM 0 H LYS A 112 16.120 -1.626 28.706 1.00 0.00 H new ATOM 0 HA LYS A 112 16.881 -2.731 31.361 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.447 -3.078 29.712 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.183 -4.557 30.295 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.565 -3.978 31.909 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.113 -3.583 32.630 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.422 -1.880 33.149 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.746 -1.195 32.228 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.434 -1.152 30.190 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.177 -2.149 30.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.661 0.261 30.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.539 -0.399 32.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.887 0.544 31.926 1.00 0.00 H new ATOM 1590 N ILE A 113 18.283 -4.486 30.110 1.00 0.00 N ATOM 1591 CA ILE A 113 19.197 -5.402 29.448 1.00 0.00 C ATOM 1592 C ILE A 113 19.328 -6.659 30.310 1.00 0.00 C ATOM 1593 O ILE A 113 19.195 -6.585 31.536 1.00 0.00 O ATOM 1594 CB ILE A 113 20.531 -4.666 29.197 1.00 0.00 C ATOM 1595 CG1 ILE A 113 21.466 -5.503 28.298 1.00 0.00 C ATOM 1596 CG2 ILE A 113 21.250 -4.227 30.490 1.00 0.00 C ATOM 1597 CD1 ILE A 113 22.607 -4.685 27.679 1.00 0.00 C ATOM 0 H ILE A 113 18.396 -4.475 31.124 1.00 0.00 H new ATOM 0 HA ILE A 113 18.832 -5.726 28.474 1.00 0.00 H new ATOM 0 HB ILE A 113 20.271 -3.746 28.673 1.00 0.00 H new ATOM 0 HG12 ILE A 113 21.890 -6.318 28.885 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.880 -5.957 27.499 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.179 -3.717 30.235 1.00 0.00 H new ATOM 0 HG22 ILE A 113 20.607 -3.550 31.052 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.473 -5.104 31.098 1.00 0.00 H new ATOM 0 HD11 ILE A 113 23.226 -5.334 27.059 1.00 0.00 H new ATOM 0 HD12 ILE A 113 22.191 -3.886 27.065 1.00 0.00 H new ATOM 0 HD13 ILE A 113 23.216 -4.252 28.472 1.00 0.00 H new ATOM 1609 N SER A 114 19.567 -7.818 29.699 1.00 0.00 N ATOM 1610 CA SER A 114 19.828 -9.075 30.396 1.00 0.00 C ATOM 1611 C SER A 114 20.639 -10.007 29.492 1.00 0.00 C ATOM 1612 O SER A 114 20.532 -9.927 28.264 1.00 0.00 O ATOM 1613 CB SER A 114 18.495 -9.741 30.778 1.00 0.00 C ATOM 1614 OG SER A 114 17.761 -8.940 31.690 1.00 0.00 O ATOM 0 H SER A 114 19.585 -7.911 28.683 1.00 0.00 H new ATOM 0 HA SER A 114 20.399 -8.874 31.303 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.901 -9.911 29.880 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.688 -10.717 31.222 1.00 0.00 H new ATOM 0 HG SER A 114 18.244 -8.103 31.852 1.00 0.00 H new ATOM 1620 N GLY A 115 21.426 -10.896 30.111 1.00 0.00 N ATOM 1621 CA GLY A 115 22.177 -11.964 29.453 1.00 0.00 C ATOM 1622 C GLY A 115 23.080 -11.465 28.327 1.00 0.00 C ATOM 1623 O GLY A 115 23.213 -12.156 27.315 1.00 0.00 O ATOM 0 H GLY A 115 21.560 -10.888 31.122 1.00 0.00 H new ATOM 0 HA2 GLY A 115 22.786 -12.481 30.195 1.00 0.00 H new ATOM 0 HA3 GLY A 115 21.477 -12.696 29.050 1.00 0.00 H new ATOM 1627 N CYS A 116 23.676 -10.276 28.475 1.00 0.00 N ATOM 1628 CA CYS A 116 24.370 -9.597 27.389 1.00 0.00 C ATOM 1629 C CYS A 116 25.823 -9.272 27.718 1.00 0.00 C ATOM 1630 O CYS A 116 26.213 -9.173 28.885 1.00 0.00 O ATOM 1631 CB CYS A 116 23.619 -8.302 27.047 1.00 0.00 C ATOM 1632 SG CYS A 116 23.627 -7.902 25.286 1.00 0.00 S ATOM 0 H CYS A 116 23.687 -9.761 29.356 1.00 0.00 H new ATOM 0 HA CYS A 116 24.384 -10.278 26.538 1.00 0.00 H new ATOM 0 HB2 CYS A 116 22.587 -8.391 27.386 1.00 0.00 H new ATOM 0 HB3 CYS A 116 24.066 -7.476 27.600 1.00 0.00 H new ATOM 1637 N SER A 117 26.578 -9.022 26.653 1.00 0.00 N ATOM 1638 CA SER A 117 27.926 -8.491 26.647 1.00 0.00 C ATOM 1639 C SER A 117 27.933 -7.345 25.631 1.00 0.00 C ATOM 1640 O SER A 117 27.294 -7.441 24.578 1.00 0.00 O ATOM 1641 CB SER A 117 28.913 -9.598 26.256 1.00 0.00 C ATOM 1642 OG SER A 117 28.835 -10.696 27.157 1.00 0.00 O ATOM 0 H SER A 117 26.235 -9.199 25.709 1.00 0.00 H new ATOM 0 HA SER A 117 28.229 -8.126 27.628 1.00 0.00 H new ATOM 0 HB2 SER A 117 28.699 -9.939 25.243 1.00 0.00 H new ATOM 0 HB3 SER A 117 29.928 -9.200 26.251 1.00 0.00 H new ATOM 0 HG SER A 117 29.473 -11.389 26.885 1.00 0.00 H new ATOM 1648 N LEU A 118 28.638 -6.260 25.954 1.00 0.00 N ATOM 1649 CA LEU A 118 28.746 -5.061 25.128 1.00 0.00 C ATOM 1650 C LEU A 118 30.229 -4.736 24.986 1.00 0.00 C ATOM 1651 O LEU A 118 30.973 -4.852 25.967 1.00 0.00 O ATOM 1652 CB LEU A 118 28.028 -3.864 25.788 1.00 0.00 C ATOM 1653 CG LEU A 118 26.504 -3.998 25.978 1.00 0.00 C ATOM 1654 CD1 LEU A 118 25.967 -2.770 26.723 1.00 0.00 C ATOM 1655 CD2 LEU A 118 25.763 -4.126 24.645 1.00 0.00 C ATOM 0 H LEU A 118 29.165 -6.191 26.825 1.00 0.00 H new ATOM 0 HA LEU A 118 28.279 -5.241 24.159 1.00 0.00 H new ATOM 0 HB2 LEU A 118 28.480 -3.691 26.765 1.00 0.00 H new ATOM 0 HB3 LEU A 118 28.220 -2.976 25.186 1.00 0.00 H new ATOM 0 HG LEU A 118 26.330 -4.907 26.553 1.00 0.00 H new ATOM 0 HD11 LEU A 118 24.890 -2.867 26.856 1.00 0.00 H new ATOM 0 HD12 LEU A 118 26.448 -2.697 27.699 1.00 0.00 H new ATOM 0 HD13 LEU A 118 26.181 -1.871 26.145 1.00 0.00 H new ATOM 0 HD21 LEU A 118 24.693 -4.218 24.831 1.00 0.00 H new ATOM 0 HD22 LEU A 118 25.951 -3.241 24.038 1.00 0.00 H new ATOM 0 HD23 LEU A 118 26.116 -5.011 24.116 1.00 0.00 H new ATOM 1667 N SER A 119 30.639 -4.267 23.809 1.00 0.00 N ATOM 1668 CA SER A 119 31.990 -3.780 23.556 1.00 0.00 C ATOM 1669 C SER A 119 31.914 -2.557 22.642 1.00 0.00 C ATOM 1670 O SER A 119 30.977 -2.412 21.849 1.00 0.00 O ATOM 1671 CB SER A 119 32.868 -4.880 22.932 1.00 0.00 C ATOM 1672 OG SER A 119 32.796 -6.104 23.651 1.00 0.00 O ATOM 0 H SER A 119 30.030 -4.215 22.992 1.00 0.00 H new ATOM 0 HA SER A 119 32.453 -3.497 24.502 1.00 0.00 H new ATOM 0 HB2 SER A 119 32.556 -5.049 21.901 1.00 0.00 H new ATOM 0 HB3 SER A 119 33.903 -4.541 22.901 1.00 0.00 H new ATOM 0 HG SER A 119 33.367 -6.772 23.218 1.00 0.00 H new ATOM 1678 N ALA A 120 32.890 -1.661 22.780 1.00 0.00 N ATOM 1679 CA ALA A 120 33.007 -0.472 21.952 1.00 0.00 C ATOM 1680 C ALA A 120 33.538 -0.822 20.559 1.00 0.00 C ATOM 1681 O ALA A 120 34.070 -1.912 20.324 1.00 0.00 O ATOM 1682 CB ALA A 120 33.944 0.527 22.644 1.00 0.00 C ATOM 0 H ALA A 120 33.628 -1.745 23.479 1.00 0.00 H new ATOM 0 HA ALA A 120 32.020 -0.027 21.827 1.00 0.00 H new ATOM 0 HB1 ALA A 120 34.038 1.423 22.030 1.00 0.00 H new ATOM 0 HB2 ALA A 120 33.534 0.796 23.618 1.00 0.00 H new ATOM 0 HB3 ALA A 120 34.926 0.073 22.776 1.00 0.00 H new ATOM 1688 N MET A 121 33.460 0.161 19.665 1.00 0.00 N ATOM 1689 CA MET A 121 34.072 0.175 18.348 1.00 0.00 C ATOM 1690 C MET A 121 34.826 1.490 18.245 1.00 0.00 C ATOM 1691 O MET A 121 34.214 2.536 18.551 1.00 0.00 O ATOM 1692 CB MET A 121 33.002 0.096 17.257 1.00 0.00 C ATOM 1693 CG MET A 121 32.328 -1.275 17.177 1.00 0.00 C ATOM 1694 SD MET A 121 31.301 -1.434 15.697 1.00 0.00 S ATOM 1695 CE MET A 121 30.754 -3.149 15.853 1.00 0.00 C ATOM 1696 OXT MET A 121 36.019 1.472 17.882 1.00 0.00 O ATOM 0 H MET A 121 32.937 1.016 19.856 1.00 0.00 H new ATOM 0 HA MET A 121 34.735 -0.679 18.214 1.00 0.00 H new ATOM 0 HB2 MET A 121 32.244 0.857 17.444 1.00 0.00 H new ATOM 0 HB3 MET A 121 33.456 0.328 16.294 1.00 0.00 H new ATOM 0 HG2 MET A 121 33.090 -2.055 17.176 1.00 0.00 H new ATOM 0 HG3 MET A 121 31.714 -1.430 18.064 1.00 0.00 H new ATOM 0 HE1 MET A 121 29.987 -3.356 15.107 1.00 0.00 H new ATOM 0 HE2 MET A 121 31.601 -3.817 15.697 1.00 0.00 H new ATOM 0 HE3 MET A 121 30.343 -3.311 16.850 1.00 0.00 H new TER 1706 MET A 121