USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 992 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 82 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 100 GLN : amide:sc= 1.12 K(o=1.1,f=-0.39) USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0.332 USER MOD Set 2.2: A 80 CYS SG : rot 91:sc= -0.0578 USER MOD Set 3.1: A 5 MET CE :methyl 170:sc= -0.936 (180deg=-1.51) USER MOD Set 3.2: A 35 CYS SG : rot -88:sc= 0.413 USER MOD Set 3.3: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 11 ASN : amide:sc= -0.376 K(o=0.49,f=-4!) USER MOD Set 4.2: A 15 SER OG : rot 70:sc= 0.172 USER MOD Set 4.3: A 34 SER OG : rot 180:sc= 0.695 USER MOD Set 5.1: A 16 GLN : amide:sc= 2.04 K(o=5.5,f=-6!) USER MOD Set 5.2: A 23 LYS NZ :NH3+ 159:sc= 1.81 (180deg=1.17) USER MOD Set 5.3: A 60 GLN : amide:sc= 1.63 K(o=5.5,f=-3.5!) USER MOD Set 6.1: A 12 SER OG : rot 89:sc= 0.147 USER MOD Set 6.2: A 13 CYS SG : rot 180:sc= 0.31 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.24 (180deg=0.636) USER MOD Single : A 2 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1.21) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.23) USER MOD Single : A 8 CYS SG : rot 65:sc= 0.306 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -166:sc= 0 (180deg=-0.0516) USER MOD Single : A 24 THR OG1 : rot 93:sc= 0.865 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 25:sc= 0.306 USER MOD Single : A 40 SER OG : rot 180:sc= 0.721 USER MOD Single : A 43 HIS : no HD1:sc= 0.635 K(o=0.64,f=-3.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 175:sc= -0.58 (180deg=-0.709) USER MOD Single : A 50 MET CE :methyl -139:sc= -0.315 (180deg=-2.6) USER MOD Single : A 58 SER OG : rot 98:sc= 1.25 USER MOD Single : A 61 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 62 SER OG : rot -65:sc= 0.694 USER MOD Single : A 67 ASN : amide:sc= 1.13 K(o=1.1,f=-0.18) USER MOD Single : A 69 ASN : amide:sc= 0.669 K(o=0.67,f=-0.066) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -37:sc= 0.264 USER MOD Single : A 93 GLN : amide:sc= 1.02 K(o=1,f=-0.19) USER MOD Single : A 107 GLN : amide:sc= 0.162 K(o=0.16,f=-0.9) USER MOD Single : A 108 SER OG : rot 180:sc= 0.235 USER MOD Single : A 114 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 118 GLN : amide:sc= 0.891 K(o=0.89,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0.368 X(o=0.37,f=-0.007) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 36:sc= 0.0488 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.574 0.021 0.963 1.00 0.00 N ATOM 2 CA MET A 1 2.136 0.248 -0.401 1.00 0.00 C ATOM 3 C MET A 1 2.165 1.742 -0.754 1.00 0.00 C ATOM 4 O MET A 1 1.121 2.389 -0.770 1.00 0.00 O ATOM 5 CB MET A 1 1.378 -0.567 -1.482 1.00 0.00 C ATOM 6 CG MET A 1 1.882 -0.298 -2.914 1.00 0.00 C ATOM 7 SD MET A 1 1.229 -1.390 -4.211 1.00 0.00 S ATOM 8 CE MET A 1 2.196 -2.897 -3.923 1.00 0.00 C ATOM 0 H1 MET A 1 1.116 -0.912 0.999 1.00 0.00 H new ATOM 0 H2 MET A 1 2.341 0.058 1.665 1.00 0.00 H new ATOM 0 H3 MET A 1 0.873 0.759 1.177 1.00 0.00 H new ATOM 0 HA MET A 1 3.165 -0.112 -0.385 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.479 -1.630 -1.263 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.316 -0.329 -1.428 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.636 0.731 -3.176 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.969 -0.376 -2.915 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.905 -3.660 -4.645 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.257 -2.676 -4.037 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.008 -3.263 -2.914 1.00 0.00 H new ATOM 18 N LYS A 2 3.352 2.273 -1.089 1.00 0.00 N ATOM 19 CA LYS A 2 3.575 3.619 -1.672 1.00 0.00 C ATOM 20 C LYS A 2 4.440 3.508 -2.936 1.00 0.00 C ATOM 21 O LYS A 2 5.051 2.465 -3.172 1.00 0.00 O ATOM 22 CB LYS A 2 4.181 4.572 -0.624 1.00 0.00 C ATOM 23 CG LYS A 2 3.207 4.845 0.534 1.00 0.00 C ATOM 24 CD LYS A 2 3.772 5.836 1.558 1.00 0.00 C ATOM 25 CE LYS A 2 2.713 6.115 2.637 1.00 0.00 C ATOM 26 NZ LYS A 2 3.231 7.029 3.691 1.00 0.00 N ATOM 0 H LYS A 2 4.224 1.760 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 2 2.618 4.048 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.101 4.141 -0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.450 5.514 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.272 5.236 0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.971 3.906 1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.674 5.429 2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.056 6.765 1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.830 6.556 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.400 5.175 3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.437 7.538 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.730 6.475 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.888 7.713 3.265 1.00 0.00 H new ATOM 40 N LYS A 3 4.461 4.557 -3.764 1.00 0.00 N ATOM 41 CA LYS A 3 5.144 4.568 -5.074 1.00 0.00 C ATOM 42 C LYS A 3 6.393 5.450 -5.054 1.00 0.00 C ATOM 43 O LYS A 3 6.378 6.536 -4.476 1.00 0.00 O ATOM 44 CB LYS A 3 4.184 4.962 -6.219 1.00 0.00 C ATOM 45 CG LYS A 3 2.997 3.990 -6.401 1.00 0.00 C ATOM 46 CD LYS A 3 1.760 4.246 -5.519 1.00 0.00 C ATOM 47 CE LYS A 3 1.137 5.601 -5.852 1.00 0.00 C ATOM 48 NZ LYS A 3 0.409 6.204 -4.705 1.00 0.00 N ATOM 0 H LYS A 3 3.998 5.439 -3.545 1.00 0.00 H new ATOM 0 HA LYS A 3 5.474 3.548 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.796 5.962 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.747 5.012 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.685 4.024 -7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.352 2.978 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.027 3.454 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.044 4.218 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.921 6.285 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.450 5.482 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.020 7.104 -5.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.337 5.553 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.074 6.377 -3.924 1.00 0.00 H new ATOM 62 N VAL A 4 7.451 5.003 -5.732 1.00 0.00 N ATOM 63 CA VAL A 4 8.707 5.768 -5.905 1.00 0.00 C ATOM 64 C VAL A 4 8.993 5.996 -7.387 1.00 0.00 C ATOM 65 O VAL A 4 8.853 5.086 -8.202 1.00 0.00 O ATOM 66 CB VAL A 4 9.926 5.137 -5.194 1.00 0.00 C ATOM 67 CG1 VAL A 4 11.105 6.118 -5.135 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.603 4.663 -3.772 1.00 0.00 C ATOM 0 H VAL A 4 7.470 4.090 -6.186 1.00 0.00 H new ATOM 0 HA VAL A 4 8.549 6.729 -5.416 1.00 0.00 H new ATOM 0 HB VAL A 4 10.199 4.266 -5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.947 5.645 -4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.399 6.395 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.808 7.012 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.496 4.229 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.270 5.510 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.814 3.912 -3.809 1.00 0.00 H new ATOM 78 N MET A 5 9.427 7.205 -7.726 1.00 0.00 N ATOM 79 CA MET A 5 9.822 7.586 -9.080 1.00 0.00 C ATOM 80 C MET A 5 11.241 8.148 -9.083 1.00 0.00 C ATOM 81 O MET A 5 11.580 9.022 -8.286 1.00 0.00 O ATOM 82 CB MET A 5 8.785 8.542 -9.675 1.00 0.00 C ATOM 83 CG MET A 5 9.216 9.220 -10.984 1.00 0.00 C ATOM 84 SD MET A 5 9.732 8.137 -12.342 1.00 0.00 S ATOM 85 CE MET A 5 8.339 8.365 -13.475 1.00 0.00 C ATOM 0 H MET A 5 9.517 7.966 -7.053 1.00 0.00 H new ATOM 0 HA MET A 5 9.844 6.707 -9.724 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.862 7.990 -9.854 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.558 9.314 -8.939 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.387 9.833 -11.337 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.040 9.897 -10.759 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.575 7.911 -14.437 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.450 7.892 -13.058 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.152 9.430 -13.612 1.00 0.00 H new ATOM 95 N PHE A 6 12.058 7.644 -9.998 1.00 0.00 N ATOM 96 CA PHE A 6 13.476 7.989 -10.141 1.00 0.00 C ATOM 97 C PHE A 6 13.693 8.893 -11.358 1.00 0.00 C ATOM 98 O PHE A 6 13.345 8.515 -12.471 1.00 0.00 O ATOM 99 CB PHE A 6 14.311 6.700 -10.231 1.00 0.00 C ATOM 100 CG PHE A 6 14.018 5.712 -9.123 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.533 5.907 -7.829 1.00 0.00 C ATOM 102 CD2 PHE A 6 13.175 4.619 -9.382 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.152 5.055 -6.777 1.00 0.00 C ATOM 104 CE2 PHE A 6 12.772 3.785 -8.326 1.00 0.00 C ATOM 105 CZ PHE A 6 13.231 4.024 -7.020 1.00 0.00 C ATOM 0 H PHE A 6 11.746 6.960 -10.687 1.00 0.00 H new ATOM 0 HA PHE A 6 13.804 8.549 -9.265 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.124 6.222 -11.192 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.369 6.960 -10.205 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.225 6.715 -7.642 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.838 4.421 -10.389 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.565 5.193 -5.789 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.106 2.957 -8.519 1.00 0.00 H new ATOM 0 HZ PHE A 6 12.875 3.414 -6.203 1.00 0.00 H new ATOM 115 N VAL A 7 14.303 10.059 -11.154 1.00 0.00 N ATOM 116 CA VAL A 7 14.714 11.010 -12.197 1.00 0.00 C ATOM 117 C VAL A 7 16.226 10.952 -12.405 1.00 0.00 C ATOM 118 O VAL A 7 16.980 11.038 -11.446 1.00 0.00 O ATOM 119 CB VAL A 7 14.196 12.437 -11.878 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.058 13.567 -12.458 1.00 0.00 C ATOM 121 CG2 VAL A 7 12.802 12.608 -12.483 1.00 0.00 C ATOM 0 H VAL A 7 14.537 10.386 -10.216 1.00 0.00 H new ATOM 0 HA VAL A 7 14.256 10.724 -13.144 1.00 0.00 H new ATOM 0 HB VAL A 7 14.214 12.517 -10.791 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.625 14.530 -12.188 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.068 13.498 -12.055 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.094 13.477 -13.544 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.430 13.609 -12.263 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.855 12.469 -13.563 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.126 11.868 -12.055 1.00 0.00 H new ATOM 131 N CYS A 8 16.686 10.851 -13.655 1.00 0.00 N ATOM 132 CA CYS A 8 18.102 11.008 -14.033 1.00 0.00 C ATOM 133 C CYS A 8 18.208 11.988 -15.222 1.00 0.00 C ATOM 134 O CYS A 8 17.190 12.341 -15.813 1.00 0.00 O ATOM 135 CB CYS A 8 18.700 9.608 -14.264 1.00 0.00 C ATOM 136 SG CYS A 8 20.503 9.648 -14.527 1.00 0.00 S ATOM 0 H CYS A 8 16.078 10.654 -14.450 1.00 0.00 H new ATOM 0 HA CYS A 8 18.701 11.462 -13.244 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.476 8.976 -13.405 1.00 0.00 H new ATOM 0 HB3 CYS A 8 18.221 9.151 -15.130 1.00 0.00 H new ATOM 0 HG CYS A 8 21.090 10.070 -13.446 1.00 0.00 H new ATOM 142 N LYS A 9 19.416 12.437 -15.598 1.00 0.00 N ATOM 143 CA LYS A 9 19.592 13.540 -16.576 1.00 0.00 C ATOM 144 C LYS A 9 19.041 13.210 -17.976 1.00 0.00 C ATOM 145 O LYS A 9 18.278 13.997 -18.516 1.00 0.00 O ATOM 146 CB LYS A 9 21.072 14.003 -16.589 1.00 0.00 C ATOM 147 CG LYS A 9 21.186 15.498 -16.934 1.00 0.00 C ATOM 148 CD LYS A 9 22.634 15.980 -17.147 1.00 0.00 C ATOM 149 CE LYS A 9 23.238 15.476 -18.472 1.00 0.00 C ATOM 150 NZ LYS A 9 24.584 16.073 -18.722 1.00 0.00 N ATOM 0 H LYS A 9 20.293 12.056 -15.242 1.00 0.00 H new ATOM 0 HA LYS A 9 18.982 14.381 -16.246 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.522 13.817 -15.614 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.633 13.416 -17.316 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.610 15.697 -17.838 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.733 16.082 -16.132 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.656 17.070 -17.133 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.252 15.638 -16.317 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.320 14.389 -18.446 1.00 0.00 H new ATOM 0 HE3 LYS A 9 22.569 15.725 -19.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.962 15.713 -19.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.501 17.108 -18.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 25.228 15.814 -17.948 1.00 0.00 H new ATOM 164 N ARG A 10 19.356 12.009 -18.499 1.00 0.00 N ATOM 165 CA ARG A 10 18.824 11.451 -19.785 1.00 0.00 C ATOM 166 C ARG A 10 18.138 10.073 -19.680 1.00 0.00 C ATOM 167 O ARG A 10 18.006 9.363 -20.668 1.00 0.00 O ATOM 168 CB ARG A 10 19.839 11.618 -20.950 1.00 0.00 C ATOM 169 CG ARG A 10 20.989 10.604 -21.105 1.00 0.00 C ATOM 170 CD ARG A 10 21.822 10.447 -19.833 1.00 0.00 C ATOM 171 NE ARG A 10 23.144 9.821 -20.069 1.00 0.00 N ATOM 172 CZ ARG A 10 23.990 9.489 -19.109 1.00 0.00 C ATOM 173 NH1 ARG A 10 23.605 9.410 -17.868 1.00 0.00 N ATOM 174 NH2 ARG A 10 25.227 9.202 -19.344 1.00 0.00 N ATOM 0 H ARG A 10 20.005 11.373 -18.036 1.00 0.00 H new ATOM 0 HA ARG A 10 17.972 12.076 -20.051 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.272 11.613 -21.881 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.286 12.607 -20.854 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.576 9.635 -21.384 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.638 10.921 -21.921 1.00 0.00 H new ATOM 0 HD2 ARG A 10 21.968 11.428 -19.380 1.00 0.00 H new ATOM 0 HD3 ARG A 10 21.266 9.844 -19.115 1.00 0.00 H new ATOM 0 HE ARG A 10 23.419 9.634 -21.033 1.00 0.00 H new ATOM 0 HH11 ARG A 10 22.635 9.606 -17.622 1.00 0.00 H new ATOM 0 HH12 ARG A 10 24.274 9.152 -17.142 1.00 0.00 H new ATOM 0 HH21 ARG A 10 25.584 9.227 -20.299 1.00 0.00 H new ATOM 0 HH22 ARG A 10 25.847 8.951 -18.574 1.00 0.00 H new ATOM 188 N ASN A 11 17.733 9.699 -18.459 1.00 0.00 N ATOM 189 CA ASN A 11 17.065 8.435 -18.073 1.00 0.00 C ATOM 190 C ASN A 11 17.713 7.149 -18.622 1.00 0.00 C ATOM 191 O ASN A 11 17.027 6.246 -19.101 1.00 0.00 O ATOM 192 CB ASN A 11 15.552 8.578 -18.335 1.00 0.00 C ATOM 193 CG ASN A 11 14.706 7.499 -17.674 1.00 0.00 C ATOM 194 OD1 ASN A 11 13.821 6.928 -18.280 1.00 0.00 O ATOM 195 ND2 ASN A 11 14.921 7.213 -16.407 1.00 0.00 N ATOM 0 H ASN A 11 17.870 10.310 -17.654 1.00 0.00 H new ATOM 0 HA ASN A 11 17.214 8.283 -17.004 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.222 9.554 -17.978 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.376 8.556 -19.410 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.346 6.514 -15.937 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.663 7.690 -15.895 1.00 0.00 H new ATOM 202 N SER A 12 19.042 7.079 -18.563 1.00 0.00 N ATOM 203 CA SER A 12 19.850 6.045 -19.223 1.00 0.00 C ATOM 204 C SER A 12 20.267 4.896 -18.306 1.00 0.00 C ATOM 205 O SER A 12 20.124 3.741 -18.684 1.00 0.00 O ATOM 206 CB SER A 12 21.084 6.744 -19.782 1.00 0.00 C ATOM 207 OG SER A 12 21.660 7.433 -18.684 1.00 0.00 O ATOM 0 H SER A 12 19.604 7.754 -18.044 1.00 0.00 H new ATOM 0 HA SER A 12 19.244 5.578 -20.000 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.785 6.024 -20.205 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.815 7.435 -20.581 1.00 0.00 H new ATOM 0 HG SER A 12 22.288 6.841 -18.220 1.00 0.00 H new ATOM 213 N CYS A 13 20.797 5.193 -17.115 1.00 0.00 N ATOM 214 CA CYS A 13 21.439 4.195 -16.233 1.00 0.00 C ATOM 215 C CYS A 13 21.018 4.280 -14.755 1.00 0.00 C ATOM 216 O CYS A 13 20.314 3.397 -14.277 1.00 0.00 O ATOM 217 CB CYS A 13 22.966 4.287 -16.457 1.00 0.00 C ATOM 218 SG CYS A 13 23.582 5.992 -16.249 1.00 0.00 S ATOM 0 H CYS A 13 20.796 6.137 -16.727 1.00 0.00 H new ATOM 0 HA CYS A 13 21.087 3.201 -16.508 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.476 3.628 -15.754 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.208 3.933 -17.459 1.00 0.00 H new ATOM 0 HG CYS A 13 24.867 6.016 -16.445 1.00 0.00 H new ATOM 224 N ARG A 14 21.383 5.347 -14.029 1.00 0.00 N ATOM 225 CA ARG A 14 21.238 5.449 -12.549 1.00 0.00 C ATOM 226 C ARG A 14 19.799 5.236 -12.053 1.00 0.00 C ATOM 227 O ARG A 14 19.553 4.412 -11.182 1.00 0.00 O ATOM 228 CB ARG A 14 21.824 6.803 -12.075 1.00 0.00 C ATOM 229 CG ARG A 14 23.368 6.815 -12.092 1.00 0.00 C ATOM 230 CD ARG A 14 23.983 8.167 -11.684 1.00 0.00 C ATOM 231 NE ARG A 14 24.049 9.137 -12.803 1.00 0.00 N ATOM 232 CZ ARG A 14 24.241 10.443 -12.720 1.00 0.00 C ATOM 233 NH1 ARG A 14 24.597 11.046 -11.626 1.00 0.00 N ATOM 234 NH2 ARG A 14 24.121 11.185 -13.777 1.00 0.00 N ATOM 0 H ARG A 14 21.794 6.181 -14.449 1.00 0.00 H new ATOM 0 HA ARG A 14 21.803 4.631 -12.102 1.00 0.00 H new ATOM 0 HB2 ARG A 14 21.450 7.602 -12.716 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.473 7.014 -11.065 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.736 6.041 -11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.713 6.557 -13.093 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.395 8.597 -10.873 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.988 8.000 -11.296 1.00 0.00 H new ATOM 0 HE ARG A 14 23.933 8.755 -13.742 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.743 10.508 -10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 14 24.731 12.057 -11.621 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.878 10.761 -14.673 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.269 12.192 -13.713 1.00 0.00 H new ATOM 248 N SER A 15 18.826 5.900 -12.680 1.00 0.00 N ATOM 249 CA SER A 15 17.382 5.745 -12.379 1.00 0.00 C ATOM 250 C SER A 15 16.833 4.384 -12.816 1.00 0.00 C ATOM 251 O SER A 15 15.980 3.809 -12.149 1.00 0.00 O ATOM 252 CB SER A 15 16.613 6.888 -13.056 1.00 0.00 C ATOM 253 OG SER A 15 17.082 7.017 -14.392 1.00 0.00 O ATOM 0 H SER A 15 19.011 6.573 -13.424 1.00 0.00 H new ATOM 0 HA SER A 15 17.249 5.791 -11.298 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.543 6.681 -13.048 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.762 7.820 -12.511 1.00 0.00 H new ATOM 0 HG SER A 15 16.789 6.243 -14.918 1.00 0.00 H new ATOM 259 N GLN A 16 17.363 3.826 -13.913 1.00 0.00 N ATOM 260 CA GLN A 16 16.927 2.519 -14.449 1.00 0.00 C ATOM 261 C GLN A 16 17.376 1.368 -13.534 1.00 0.00 C ATOM 262 O GLN A 16 16.593 0.455 -13.280 1.00 0.00 O ATOM 263 CB GLN A 16 17.459 2.338 -15.889 1.00 0.00 C ATOM 264 CG GLN A 16 17.028 3.427 -16.900 1.00 0.00 C ATOM 265 CD GLN A 16 15.559 3.382 -17.312 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.751 2.659 -16.755 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.172 4.163 -18.291 1.00 0.00 N ATOM 0 H GLN A 16 18.106 4.264 -14.457 1.00 0.00 H new ATOM 0 HA GLN A 16 15.838 2.498 -14.480 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.548 2.310 -15.854 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.127 1.369 -16.261 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.239 4.405 -16.468 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.643 3.334 -17.795 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.847 4.768 -18.758 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.196 4.165 -18.586 1.00 0.00 H new ATOM 276 N MET A 17 18.584 1.459 -12.955 1.00 0.00 N ATOM 277 CA MET A 17 19.065 0.552 -11.893 1.00 0.00 C ATOM 278 C MET A 17 18.241 0.678 -10.607 1.00 0.00 C ATOM 279 O MET A 17 17.969 -0.326 -9.956 1.00 0.00 O ATOM 280 CB MET A 17 20.543 0.844 -11.565 1.00 0.00 C ATOM 281 CG MET A 17 21.535 0.473 -12.674 1.00 0.00 C ATOM 282 SD MET A 17 23.248 0.587 -12.091 1.00 0.00 S ATOM 283 CE MET A 17 24.042 -0.513 -13.286 1.00 0.00 C ATOM 0 H MET A 17 19.265 2.173 -13.213 1.00 0.00 H new ATOM 0 HA MET A 17 18.956 -0.463 -12.275 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.648 1.906 -11.344 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.813 0.301 -10.659 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.333 -0.540 -13.021 1.00 0.00 H new ATOM 0 HG3 MET A 17 21.394 1.136 -13.528 1.00 0.00 H new ATOM 0 HE1 MET A 17 25.045 -0.763 -12.940 1.00 0.00 H new ATOM 0 HE2 MET A 17 23.455 -1.426 -13.386 1.00 0.00 H new ATOM 0 HE3 MET A 17 24.106 -0.014 -14.253 1.00 0.00 H new ATOM 293 N ALA A 18 17.803 1.891 -10.251 1.00 0.00 N ATOM 294 CA ALA A 18 16.995 2.125 -9.052 1.00 0.00 C ATOM 295 C ALA A 18 15.623 1.451 -9.167 1.00 0.00 C ATOM 296 O ALA A 18 15.224 0.722 -8.263 1.00 0.00 O ATOM 297 CB ALA A 18 16.913 3.636 -8.803 1.00 0.00 C ATOM 0 H ALA A 18 17.999 2.737 -10.787 1.00 0.00 H new ATOM 0 HA ALA A 18 17.467 1.666 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.314 3.826 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.917 4.036 -8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.450 4.122 -9.662 1.00 0.00 H new ATOM 303 N GLU A 19 14.959 1.580 -10.320 1.00 0.00 N ATOM 304 CA GLU A 19 13.753 0.793 -10.600 1.00 0.00 C ATOM 305 C GLU A 19 14.064 -0.708 -10.588 1.00 0.00 C ATOM 306 O GLU A 19 13.342 -1.460 -9.950 1.00 0.00 O ATOM 307 CB GLU A 19 13.120 1.232 -11.930 1.00 0.00 C ATOM 308 CG GLU A 19 11.654 0.784 -12.009 1.00 0.00 C ATOM 309 CD GLU A 19 11.123 0.745 -13.452 1.00 0.00 C ATOM 310 OE1 GLU A 19 10.951 1.820 -14.071 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.857 -0.378 -13.949 1.00 0.00 O ATOM 0 H GLU A 19 15.233 2.216 -11.069 1.00 0.00 H new ATOM 0 HA GLU A 19 13.026 0.979 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.180 2.316 -12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.680 0.807 -12.763 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.556 -0.206 -11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.039 1.462 -11.418 1.00 0.00 H new ATOM 318 N GLY A 20 15.178 -1.136 -11.194 1.00 0.00 N ATOM 319 CA GLY A 20 15.642 -2.532 -11.200 1.00 0.00 C ATOM 320 C GLY A 20 15.775 -3.175 -9.820 1.00 0.00 C ATOM 321 O GLY A 20 15.293 -4.287 -9.610 1.00 0.00 O ATOM 0 H GLY A 20 15.797 -0.508 -11.706 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.950 -3.127 -11.796 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.610 -2.575 -11.699 1.00 0.00 H new ATOM 325 N PHE A 21 16.359 -2.482 -8.843 1.00 0.00 N ATOM 326 CA PHE A 21 16.491 -3.034 -7.495 1.00 0.00 C ATOM 327 C PHE A 21 15.191 -2.909 -6.715 1.00 0.00 C ATOM 328 O PHE A 21 14.764 -3.879 -6.098 1.00 0.00 O ATOM 329 CB PHE A 21 17.672 -2.374 -6.786 1.00 0.00 C ATOM 330 CG PHE A 21 19.014 -2.884 -7.234 1.00 0.00 C ATOM 331 CD1 PHE A 21 19.372 -4.220 -6.984 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.920 -2.014 -7.856 1.00 0.00 C ATOM 333 CE1 PHE A 21 20.644 -4.685 -7.353 1.00 0.00 C ATOM 334 CE2 PHE A 21 21.185 -2.480 -8.235 1.00 0.00 C ATOM 335 CZ PHE A 21 21.550 -3.817 -7.981 1.00 0.00 C ATOM 0 H PHE A 21 16.745 -1.545 -8.958 1.00 0.00 H new ATOM 0 HA PHE A 21 16.697 -4.102 -7.561 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.629 -1.298 -6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.574 -2.533 -5.712 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.669 -4.888 -6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.643 -0.987 -8.042 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.925 -5.709 -7.154 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.882 -1.814 -8.722 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.528 -4.174 -8.270 1.00 0.00 H new ATOM 345 N ALA A 22 14.495 -1.774 -6.786 1.00 0.00 N ATOM 346 CA ALA A 22 13.238 -1.598 -6.057 1.00 0.00 C ATOM 347 C ALA A 22 12.135 -2.549 -6.545 1.00 0.00 C ATOM 348 O ALA A 22 11.457 -3.152 -5.721 1.00 0.00 O ATOM 349 CB ALA A 22 12.847 -0.119 -6.140 1.00 0.00 C ATOM 0 H ALA A 22 14.779 -0.965 -7.339 1.00 0.00 H new ATOM 0 HA ALA A 22 13.376 -1.870 -5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.912 0.041 -5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.631 0.490 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.720 0.166 -7.184 1.00 0.00 H new ATOM 355 N LYS A 23 12.012 -2.793 -7.856 1.00 0.00 N ATOM 356 CA LYS A 23 10.976 -3.697 -8.420 1.00 0.00 C ATOM 357 C LYS A 23 11.168 -5.165 -8.021 1.00 0.00 C ATOM 358 O LYS A 23 10.215 -5.935 -7.991 1.00 0.00 O ATOM 359 CB LYS A 23 10.889 -3.521 -9.949 1.00 0.00 C ATOM 360 CG LYS A 23 12.017 -4.183 -10.761 1.00 0.00 C ATOM 361 CD LYS A 23 12.164 -3.610 -12.182 1.00 0.00 C ATOM 362 CE LYS A 23 10.979 -3.936 -13.104 1.00 0.00 C ATOM 363 NZ LYS A 23 11.024 -3.113 -14.347 1.00 0.00 N ATOM 0 H LYS A 23 12.620 -2.376 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 23 10.022 -3.404 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.936 -3.925 -10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.882 -2.454 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.960 -4.059 -10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.827 -5.254 -10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.276 -2.528 -12.118 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.079 -4.000 -12.629 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.997 -4.994 -13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.043 -3.753 -12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.459 -3.573 -15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.636 -2.168 -14.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.009 -3.023 -14.668 1.00 0.00 H new ATOM 377 N THR A 24 12.410 -5.513 -7.687 1.00 0.00 N ATOM 378 CA THR A 24 12.834 -6.845 -7.213 1.00 0.00 C ATOM 379 C THR A 24 12.755 -6.976 -5.685 1.00 0.00 C ATOM 380 O THR A 24 12.169 -7.927 -5.174 1.00 0.00 O ATOM 381 CB THR A 24 14.266 -7.149 -7.685 1.00 0.00 C ATOM 382 OG1 THR A 24 14.380 -6.952 -9.078 1.00 0.00 O ATOM 383 CG2 THR A 24 14.677 -8.596 -7.420 1.00 0.00 C ATOM 0 H THR A 24 13.186 -4.853 -7.739 1.00 0.00 H new ATOM 0 HA THR A 24 12.142 -7.569 -7.642 1.00 0.00 H new ATOM 0 HB THR A 24 14.910 -6.473 -7.123 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.691 -6.040 -9.255 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.696 -8.755 -7.773 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.628 -8.798 -6.350 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.001 -9.269 -7.948 1.00 0.00 H new ATOM 391 N LEU A 25 13.332 -6.025 -4.940 1.00 0.00 N ATOM 392 CA LEU A 25 13.498 -6.089 -3.474 1.00 0.00 C ATOM 393 C LEU A 25 12.240 -5.617 -2.721 1.00 0.00 C ATOM 394 O LEU A 25 11.942 -6.098 -1.630 1.00 0.00 O ATOM 395 CB LEU A 25 14.754 -5.277 -3.070 1.00 0.00 C ATOM 396 CG LEU A 25 16.057 -5.744 -3.756 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.191 -4.793 -3.396 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.464 -7.161 -3.352 1.00 0.00 C ATOM 0 H LEU A 25 13.707 -5.167 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 25 13.639 -7.130 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.587 -4.227 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.882 -5.341 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 25 15.867 -5.744 -4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.110 -5.123 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.943 -3.787 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.332 -4.788 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.386 -7.435 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.623 -7.201 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.674 -7.859 -3.628 1.00 0.00 H new ATOM 410 N GLY A 26 11.479 -4.705 -3.335 1.00 0.00 N ATOM 411 CA GLY A 26 10.174 -4.215 -2.887 1.00 0.00 C ATOM 412 C GLY A 26 8.980 -4.877 -3.581 1.00 0.00 C ATOM 413 O GLY A 26 7.861 -4.377 -3.479 1.00 0.00 O ATOM 0 H GLY A 26 11.775 -4.265 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.089 -4.374 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.126 -3.139 -3.055 1.00 0.00 H new ATOM 417 N ALA A 27 9.203 -5.977 -4.302 1.00 0.00 N ATOM 418 CA ALA A 27 8.186 -6.651 -5.119 1.00 0.00 C ATOM 419 C ALA A 27 6.888 -6.958 -4.341 1.00 0.00 C ATOM 420 O ALA A 27 6.879 -7.766 -3.409 1.00 0.00 O ATOM 421 CB ALA A 27 8.796 -7.944 -5.680 1.00 0.00 C ATOM 0 H ALA A 27 10.113 -6.436 -4.337 1.00 0.00 H new ATOM 0 HA ALA A 27 7.897 -5.976 -5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.056 -8.460 -6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.665 -7.701 -6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.101 -8.590 -4.856 1.00 0.00 H new ATOM 427 N GLY A 28 5.781 -6.305 -4.721 1.00 0.00 N ATOM 428 CA GLY A 28 4.442 -6.548 -4.158 1.00 0.00 C ATOM 429 C GLY A 28 4.133 -5.754 -2.881 1.00 0.00 C ATOM 430 O GLY A 28 2.982 -5.726 -2.447 1.00 0.00 O ATOM 0 H GLY A 28 5.789 -5.581 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.695 -6.303 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.340 -7.612 -3.943 1.00 0.00 H new ATOM 434 N LYS A 29 5.134 -5.059 -2.319 1.00 0.00 N ATOM 435 CA LYS A 29 4.980 -4.072 -1.230 1.00 0.00 C ATOM 436 C LYS A 29 5.082 -2.633 -1.717 1.00 0.00 C ATOM 437 O LYS A 29 4.437 -1.761 -1.144 1.00 0.00 O ATOM 438 CB LYS A 29 5.925 -4.365 -0.046 1.00 0.00 C ATOM 439 CG LYS A 29 7.396 -4.604 -0.428 1.00 0.00 C ATOM 440 CD LYS A 29 8.263 -5.199 0.691 1.00 0.00 C ATOM 441 CE LYS A 29 8.418 -4.272 1.908 1.00 0.00 C ATOM 442 NZ LYS A 29 9.215 -4.916 2.994 1.00 0.00 N ATOM 0 H LYS A 29 6.104 -5.169 -2.616 1.00 0.00 H new ATOM 0 HA LYS A 29 3.963 -4.185 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.878 -3.529 0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.556 -5.243 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.429 -5.272 -1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.834 -3.657 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.824 -6.142 1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.251 -5.428 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.903 -3.346 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.433 -4.004 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.299 -4.262 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.739 -5.787 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.164 -5.149 2.637 1.00 0.00 H new ATOM 456 N ILE A 30 5.826 -2.382 -2.797 1.00 0.00 N ATOM 457 CA ILE A 30 5.847 -1.084 -3.488 1.00 0.00 C ATOM 458 C ILE A 30 5.597 -1.207 -5.001 1.00 0.00 C ATOM 459 O ILE A 30 5.544 -2.309 -5.542 1.00 0.00 O ATOM 460 CB ILE A 30 7.126 -0.278 -3.139 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.472 -0.935 -3.485 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.183 0.006 -1.631 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.650 -1.428 -4.923 1.00 0.00 C ATOM 0 H ILE A 30 6.438 -3.079 -3.223 1.00 0.00 H new ATOM 0 HA ILE A 30 5.003 -0.506 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 30 7.023 0.612 -3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.265 -0.218 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.619 -1.782 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.086 0.572 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.307 0.584 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.197 -0.936 -1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.640 -1.870 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.890 -2.177 -5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.547 -0.589 -5.611 1.00 0.00 H new ATOM 475 N ALA A 31 5.470 -0.063 -5.682 1.00 0.00 N ATOM 476 CA ALA A 31 5.455 0.036 -7.146 1.00 0.00 C ATOM 477 C ALA A 31 6.385 1.181 -7.584 1.00 0.00 C ATOM 478 O ALA A 31 6.486 2.193 -6.889 1.00 0.00 O ATOM 479 CB ALA A 31 4.015 0.191 -7.643 1.00 0.00 C ATOM 0 H ALA A 31 5.372 0.841 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 31 5.837 -0.877 -7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.011 0.264 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.429 -0.675 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.578 1.094 -7.217 1.00 0.00 H new ATOM 485 N VAL A 32 7.123 1.026 -8.686 1.00 0.00 N ATOM 486 CA VAL A 32 8.191 1.941 -9.077 1.00 0.00 C ATOM 487 C VAL A 32 8.265 2.239 -10.572 1.00 0.00 C ATOM 488 O VAL A 32 7.924 1.399 -11.406 1.00 0.00 O ATOM 489 CB VAL A 32 9.542 1.396 -8.602 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.759 1.751 -7.132 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.761 -0.108 -8.803 1.00 0.00 C ATOM 0 H VAL A 32 6.992 0.252 -9.337 1.00 0.00 H new ATOM 0 HA VAL A 32 7.952 2.888 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 32 10.278 1.880 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.721 1.360 -6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.747 2.835 -7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.963 1.312 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.748 -0.385 -8.432 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.999 -0.663 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.692 -0.347 -9.864 1.00 0.00 H new ATOM 501 N THR A 33 8.775 3.435 -10.882 1.00 0.00 N ATOM 502 CA THR A 33 8.905 3.971 -12.246 1.00 0.00 C ATOM 503 C THR A 33 10.225 4.740 -12.396 1.00 0.00 C ATOM 504 O THR A 33 10.711 5.335 -11.432 1.00 0.00 O ATOM 505 CB THR A 33 7.710 4.894 -12.575 1.00 0.00 C ATOM 506 OG1 THR A 33 6.488 4.331 -12.131 1.00 0.00 O ATOM 507 CG2 THR A 33 7.526 5.137 -14.075 1.00 0.00 C ATOM 0 H THR A 33 9.120 4.079 -10.170 1.00 0.00 H new ATOM 0 HA THR A 33 8.907 3.136 -12.947 1.00 0.00 H new ATOM 0 HB THR A 33 7.944 5.830 -12.067 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.750 4.937 -12.351 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.670 5.793 -14.235 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.423 5.605 -14.480 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.354 4.186 -14.579 1.00 0.00 H new ATOM 515 N SER A 34 10.809 4.753 -13.594 1.00 0.00 N ATOM 516 CA SER A 34 11.996 5.531 -13.964 1.00 0.00 C ATOM 517 C SER A 34 11.674 6.564 -15.061 1.00 0.00 C ATOM 518 O SER A 34 10.959 6.257 -16.016 1.00 0.00 O ATOM 519 CB SER A 34 13.060 4.544 -14.429 1.00 0.00 C ATOM 520 OG SER A 34 14.297 5.206 -14.595 1.00 0.00 O ATOM 0 H SER A 34 10.452 4.196 -14.371 1.00 0.00 H new ATOM 0 HA SER A 34 12.355 6.100 -13.107 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.164 3.740 -13.701 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.755 4.085 -15.370 1.00 0.00 H new ATOM 0 HG SER A 34 14.974 4.564 -14.893 1.00 0.00 H new ATOM 526 N CYS A 35 12.207 7.786 -14.931 1.00 0.00 N ATOM 527 CA CYS A 35 12.119 8.861 -15.928 1.00 0.00 C ATOM 528 C CYS A 35 13.332 9.812 -15.879 1.00 0.00 C ATOM 529 O CYS A 35 14.284 9.610 -15.122 1.00 0.00 O ATOM 530 CB CYS A 35 10.788 9.609 -15.753 1.00 0.00 C ATOM 531 SG CYS A 35 10.795 10.720 -14.328 1.00 0.00 S ATOM 0 H CYS A 35 12.729 8.063 -14.100 1.00 0.00 H new ATOM 0 HA CYS A 35 12.143 8.413 -16.922 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.577 10.183 -16.655 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.981 8.885 -15.640 1.00 0.00 H new ATOM 0 HG CYS A 35 10.415 10.069 -13.269 1.00 0.00 H new ATOM 537 N GLY A 36 13.350 10.855 -16.702 1.00 0.00 N ATOM 538 CA GLY A 36 14.366 11.907 -16.605 1.00 0.00 C ATOM 539 C GLY A 36 13.884 13.253 -17.108 1.00 0.00 C ATOM 540 O GLY A 36 12.904 13.325 -17.837 1.00 0.00 O ATOM 0 H GLY A 36 12.670 10.998 -17.449 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.679 12.006 -15.566 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.245 11.607 -17.175 1.00 0.00 H new ATOM 544 N LEU A 37 14.591 14.335 -16.769 1.00 0.00 N ATOM 545 CA LEU A 37 14.293 15.659 -17.351 1.00 0.00 C ATOM 546 C LEU A 37 14.546 15.711 -18.872 1.00 0.00 C ATOM 547 O LEU A 37 14.038 16.588 -19.567 1.00 0.00 O ATOM 548 CB LEU A 37 14.966 16.807 -16.585 1.00 0.00 C ATOM 549 CG LEU A 37 16.483 16.657 -16.370 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.178 18.015 -16.359 1.00 0.00 C ATOM 551 CD2 LEU A 37 16.754 15.988 -15.019 1.00 0.00 C ATOM 0 H LEU A 37 15.365 14.328 -16.104 1.00 0.00 H new ATOM 0 HA LEU A 37 13.221 15.813 -17.227 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.783 17.737 -17.123 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.486 16.902 -15.611 1.00 0.00 H new ATOM 0 HG LEU A 37 16.870 16.053 -17.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.248 17.875 -16.205 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.011 18.517 -17.312 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.772 18.625 -15.552 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.829 15.885 -14.873 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.336 16.600 -14.220 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.289 15.002 -15.001 1.00 0.00 H new ATOM 563 N GLU A 38 15.293 14.726 -19.367 1.00 0.00 N ATOM 564 CA GLU A 38 15.503 14.399 -20.782 1.00 0.00 C ATOM 565 C GLU A 38 15.504 12.865 -20.916 1.00 0.00 C ATOM 566 O GLU A 38 15.557 12.146 -19.914 1.00 0.00 O ATOM 567 CB GLU A 38 16.809 15.008 -21.347 1.00 0.00 C ATOM 568 CG GLU A 38 16.919 16.531 -21.185 1.00 0.00 C ATOM 569 CD GLU A 38 18.165 17.074 -21.914 1.00 0.00 C ATOM 570 OE1 GLU A 38 18.094 17.322 -23.143 1.00 0.00 O ATOM 571 OE2 GLU A 38 19.227 17.268 -21.271 1.00 0.00 O ATOM 0 H GLU A 38 15.803 14.091 -18.752 1.00 0.00 H new ATOM 0 HA GLU A 38 14.697 14.836 -21.371 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.659 14.539 -20.851 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.883 14.761 -22.406 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.023 17.009 -21.582 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.973 16.785 -20.126 1.00 0.00 H new ATOM 578 N SER A 39 15.427 12.335 -22.138 1.00 0.00 N ATOM 579 CA SER A 39 15.371 10.885 -22.402 1.00 0.00 C ATOM 580 C SER A 39 15.941 10.525 -23.776 1.00 0.00 C ATOM 581 O SER A 39 15.668 11.218 -24.755 1.00 0.00 O ATOM 582 CB SER A 39 13.925 10.413 -22.287 1.00 0.00 C ATOM 583 OG SER A 39 13.718 10.146 -20.918 1.00 0.00 O ATOM 0 H SER A 39 15.401 12.902 -22.986 1.00 0.00 H new ATOM 0 HA SER A 39 15.990 10.380 -21.661 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.234 11.176 -22.646 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.755 9.521 -22.890 1.00 0.00 H new ATOM 0 HG SER A 39 14.345 10.676 -20.383 1.00 0.00 H new ATOM 589 N SER A 40 16.712 9.431 -23.854 1.00 0.00 N ATOM 590 CA SER A 40 17.262 8.912 -25.121 1.00 0.00 C ATOM 591 C SER A 40 17.104 7.388 -25.265 1.00 0.00 C ATOM 592 O SER A 40 16.224 6.941 -26.005 1.00 0.00 O ATOM 593 CB SER A 40 18.702 9.412 -25.304 1.00 0.00 C ATOM 594 OG SER A 40 19.183 9.057 -26.589 1.00 0.00 O ATOM 0 H SER A 40 16.974 8.877 -23.039 1.00 0.00 H new ATOM 0 HA SER A 40 16.672 9.311 -25.946 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.737 10.494 -25.181 1.00 0.00 H new ATOM 0 HB3 SER A 40 19.345 8.982 -24.535 1.00 0.00 H new ATOM 0 HG SER A 40 20.101 9.382 -26.696 1.00 0.00 H new ATOM 600 N ARG A 41 17.901 6.582 -24.542 1.00 0.00 N ATOM 601 CA ARG A 41 17.754 5.108 -24.444 1.00 0.00 C ATOM 602 C ARG A 41 18.366 4.554 -23.150 1.00 0.00 C ATOM 603 O ARG A 41 19.286 5.167 -22.605 1.00 0.00 O ATOM 604 CB ARG A 41 18.334 4.407 -25.699 1.00 0.00 C ATOM 605 CG ARG A 41 19.869 4.278 -25.815 1.00 0.00 C ATOM 606 CD ARG A 41 20.663 5.590 -25.896 1.00 0.00 C ATOM 607 NE ARG A 41 20.242 6.434 -27.030 1.00 0.00 N ATOM 608 CZ ARG A 41 20.538 6.309 -28.311 1.00 0.00 C ATOM 609 NH1 ARG A 41 21.295 5.352 -28.771 1.00 0.00 N ATOM 610 NH2 ARG A 41 20.066 7.172 -29.163 1.00 0.00 N ATOM 0 H ARG A 41 18.684 6.939 -23.995 1.00 0.00 H new ATOM 0 HA ARG A 41 16.687 4.888 -24.404 1.00 0.00 H new ATOM 0 HB2 ARG A 41 17.910 3.404 -25.747 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.977 4.946 -26.577 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.230 3.713 -24.955 1.00 0.00 H new ATOM 0 HG3 ARG A 41 20.096 3.687 -26.702 1.00 0.00 H new ATOM 0 HD2 ARG A 41 20.537 6.146 -24.967 1.00 0.00 H new ATOM 0 HD3 ARG A 41 21.725 5.363 -25.990 1.00 0.00 H new ATOM 0 HE ARG A 41 19.640 7.222 -26.792 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.686 4.659 -28.132 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.496 5.296 -29.769 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.473 7.936 -28.839 1.00 0.00 H new ATOM 0 HH22 ARG A 41 20.289 7.084 -30.154 1.00 0.00 H new ATOM 624 N VAL A 42 17.916 3.379 -22.684 1.00 0.00 N ATOM 625 CA VAL A 42 18.608 2.672 -21.576 1.00 0.00 C ATOM 626 C VAL A 42 20.035 2.359 -22.019 1.00 0.00 C ATOM 627 O VAL A 42 20.243 1.838 -23.116 1.00 0.00 O ATOM 628 CB VAL A 42 17.930 1.365 -21.105 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.608 0.807 -19.841 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.471 1.574 -20.745 1.00 0.00 C ATOM 0 H VAL A 42 17.091 2.899 -23.044 1.00 0.00 H new ATOM 0 HA VAL A 42 18.573 3.345 -20.719 1.00 0.00 H new ATOM 0 HB VAL A 42 18.022 0.675 -21.944 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.108 -0.112 -19.535 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.656 0.596 -20.053 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.541 1.541 -19.038 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.037 0.628 -20.420 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.396 2.304 -19.939 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.930 1.940 -21.617 1.00 0.00 H new ATOM 640 N HIS A 43 21.018 2.661 -21.172 1.00 0.00 N ATOM 641 CA HIS A 43 22.417 2.349 -21.452 1.00 0.00 C ATOM 642 C HIS A 43 22.568 0.826 -21.473 1.00 0.00 C ATOM 643 O HIS A 43 22.203 0.181 -20.488 1.00 0.00 O ATOM 644 CB HIS A 43 23.306 3.014 -20.397 1.00 0.00 C ATOM 645 CG HIS A 43 24.741 3.100 -20.832 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.657 2.049 -20.833 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.345 4.233 -21.276 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.817 2.592 -21.258 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.650 3.896 -21.542 1.00 0.00 N ATOM 0 H HIS A 43 20.867 3.126 -20.277 1.00 0.00 H new ATOM 0 HA HIS A 43 22.729 2.737 -22.422 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.931 4.016 -20.189 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.244 2.451 -19.466 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.890 5.205 -21.396 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.749 2.055 -21.356 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.370 4.527 -21.895 1.00 0.00 H new ATOM 657 N PRO A 44 23.076 0.213 -22.550 1.00 0.00 N ATOM 658 CA PRO A 44 23.003 -1.237 -22.672 1.00 0.00 C ATOM 659 C PRO A 44 23.920 -1.944 -21.659 1.00 0.00 C ATOM 660 O PRO A 44 23.624 -3.056 -21.221 1.00 0.00 O ATOM 661 CB PRO A 44 23.384 -1.516 -24.128 1.00 0.00 C ATOM 662 CG PRO A 44 24.322 -0.361 -24.487 1.00 0.00 C ATOM 663 CD PRO A 44 23.719 0.810 -23.714 1.00 0.00 C ATOM 0 HA PRO A 44 22.012 -1.628 -22.441 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.879 -2.481 -24.234 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.507 -1.535 -24.775 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.349 -0.563 -24.182 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.340 -0.172 -25.560 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.488 1.522 -23.416 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.999 1.355 -24.324 1.00 0.00 H new ATOM 671 N THR A 45 24.983 -1.272 -21.195 1.00 0.00 N ATOM 672 CA THR A 45 25.842 -1.778 -20.110 1.00 0.00 C ATOM 673 C THR A 45 25.129 -1.754 -18.759 1.00 0.00 C ATOM 674 O THR A 45 25.371 -2.634 -17.942 1.00 0.00 O ATOM 675 CB THR A 45 27.178 -1.017 -20.054 1.00 0.00 C ATOM 676 OG1 THR A 45 27.781 -1.038 -21.336 1.00 0.00 O ATOM 677 CG2 THR A 45 28.167 -1.659 -19.080 1.00 0.00 C ATOM 0 H THR A 45 25.273 -0.364 -21.559 1.00 0.00 H new ATOM 0 HA THR A 45 26.064 -2.821 -20.335 1.00 0.00 H new ATOM 0 HB THR A 45 26.955 -0.003 -19.722 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.632 -0.553 -21.305 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.095 -1.087 -19.074 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.739 -1.665 -18.078 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.373 -2.683 -19.393 1.00 0.00 H new ATOM 685 N ALA A 46 24.171 -0.847 -18.527 1.00 0.00 N ATOM 686 CA ALA A 46 23.351 -0.870 -17.310 1.00 0.00 C ATOM 687 C ALA A 46 22.556 -2.174 -17.193 1.00 0.00 C ATOM 688 O ALA A 46 22.585 -2.820 -16.152 1.00 0.00 O ATOM 689 CB ALA A 46 22.406 0.339 -17.308 1.00 0.00 C ATOM 0 H ALA A 46 23.945 -0.087 -19.168 1.00 0.00 H new ATOM 0 HA ALA A 46 24.013 -0.815 -16.446 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.796 0.323 -16.405 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.991 1.258 -17.335 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.758 0.296 -18.184 1.00 0.00 H new ATOM 695 N ILE A 47 21.925 -2.605 -18.289 1.00 0.00 N ATOM 696 CA ILE A 47 21.224 -3.896 -18.367 1.00 0.00 C ATOM 697 C ILE A 47 22.196 -5.047 -18.068 1.00 0.00 C ATOM 698 O ILE A 47 21.905 -5.878 -17.211 1.00 0.00 O ATOM 699 CB ILE A 47 20.553 -4.033 -19.750 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.396 -3.016 -19.916 1.00 0.00 C ATOM 701 CG2 ILE A 47 20.020 -5.453 -19.995 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.428 -2.299 -21.266 1.00 0.00 C ATOM 0 H ILE A 47 21.884 -2.067 -19.154 1.00 0.00 H new ATOM 0 HA ILE A 47 20.439 -3.942 -17.612 1.00 0.00 H new ATOM 0 HB ILE A 47 21.326 -3.823 -20.489 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.444 -3.535 -19.808 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.450 -2.278 -19.116 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.556 -5.503 -20.980 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.844 -6.165 -19.946 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.281 -5.701 -19.233 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.595 -1.599 -21.326 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.367 -1.755 -21.367 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.345 -3.031 -22.069 1.00 0.00 H new ATOM 714 N ALA A 48 23.395 -5.037 -18.663 1.00 0.00 N ATOM 715 CA ALA A 48 24.405 -6.075 -18.418 1.00 0.00 C ATOM 716 C ALA A 48 24.863 -6.128 -16.946 1.00 0.00 C ATOM 717 O ALA A 48 25.050 -7.201 -16.374 1.00 0.00 O ATOM 718 CB ALA A 48 25.591 -5.840 -19.355 1.00 0.00 C ATOM 0 H ALA A 48 23.691 -4.317 -19.322 1.00 0.00 H new ATOM 0 HA ALA A 48 23.953 -7.045 -18.624 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.348 -6.605 -19.182 1.00 0.00 H new ATOM 0 HB2 ALA A 48 25.253 -5.891 -20.390 1.00 0.00 H new ATOM 0 HB3 ALA A 48 26.018 -4.856 -19.161 1.00 0.00 H new ATOM 724 N MET A 49 24.992 -4.961 -16.310 1.00 0.00 N ATOM 725 CA MET A 49 25.386 -4.806 -14.906 1.00 0.00 C ATOM 726 C MET A 49 24.268 -5.201 -13.934 1.00 0.00 C ATOM 727 O MET A 49 24.571 -5.640 -12.828 1.00 0.00 O ATOM 728 CB MET A 49 25.853 -3.365 -14.672 1.00 0.00 C ATOM 729 CG MET A 49 27.124 -3.036 -15.463 1.00 0.00 C ATOM 730 SD MET A 49 28.672 -3.476 -14.636 1.00 0.00 S ATOM 731 CE MET A 49 29.062 -5.060 -15.408 1.00 0.00 C ATOM 0 H MET A 49 24.820 -4.068 -16.773 1.00 0.00 H new ATOM 0 HA MET A 49 26.209 -5.491 -14.703 1.00 0.00 H new ATOM 0 HB2 MET A 49 25.059 -2.676 -14.959 1.00 0.00 H new ATOM 0 HB3 MET A 49 26.038 -3.212 -13.609 1.00 0.00 H new ATOM 0 HG2 MET A 49 27.082 -3.553 -16.422 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.135 -1.967 -15.677 1.00 0.00 H new ATOM 0 HE1 MET A 49 30.035 -5.405 -15.059 1.00 0.00 H new ATOM 0 HE2 MET A 49 28.300 -5.792 -15.141 1.00 0.00 H new ATOM 0 HE3 MET A 49 29.086 -4.941 -16.491 1.00 0.00 H new ATOM 741 N MET A 50 22.999 -5.096 -14.334 1.00 0.00 N ATOM 742 CA MET A 50 21.873 -5.650 -13.567 1.00 0.00 C ATOM 743 C MET A 50 21.755 -7.173 -13.768 1.00 0.00 C ATOM 744 O MET A 50 21.433 -7.892 -12.822 1.00 0.00 O ATOM 745 CB MET A 50 20.568 -4.928 -13.938 1.00 0.00 C ATOM 746 CG MET A 50 20.558 -3.443 -13.537 1.00 0.00 C ATOM 747 SD MET A 50 20.947 -3.054 -11.805 1.00 0.00 S ATOM 748 CE MET A 50 19.715 -4.080 -10.964 1.00 0.00 C ATOM 0 H MET A 50 22.720 -4.627 -15.196 1.00 0.00 H new ATOM 0 HA MET A 50 22.063 -5.481 -12.507 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.410 -5.008 -15.014 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.732 -5.433 -13.455 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.271 -2.916 -14.171 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.571 -3.038 -13.762 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.292 -3.527 -10.125 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.921 -4.342 -11.663 1.00 0.00 H new ATOM 0 HE3 MET A 50 20.189 -4.990 -10.596 1.00 0.00 H new ATOM 758 N GLU A 51 22.120 -7.699 -14.944 1.00 0.00 N ATOM 759 CA GLU A 51 22.149 -9.148 -15.174 1.00 0.00 C ATOM 760 C GLU A 51 23.233 -9.867 -14.347 1.00 0.00 C ATOM 761 O GLU A 51 23.044 -11.035 -14.006 1.00 0.00 O ATOM 762 CB GLU A 51 22.313 -9.472 -16.671 1.00 0.00 C ATOM 763 CG GLU A 51 21.034 -9.222 -17.480 1.00 0.00 C ATOM 764 CD GLU A 51 21.228 -9.676 -18.940 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.896 -8.964 -19.728 1.00 0.00 O ATOM 766 OE2 GLU A 51 20.724 -10.767 -19.309 1.00 0.00 O ATOM 0 H GLU A 51 22.399 -7.142 -15.751 1.00 0.00 H new ATOM 0 HA GLU A 51 21.185 -9.527 -14.834 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.121 -8.867 -17.082 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.608 -10.515 -16.781 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.200 -9.762 -17.032 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.779 -8.163 -17.452 1.00 0.00 H new ATOM 773 N GLU A 52 24.315 -9.187 -13.933 1.00 0.00 N ATOM 774 CA GLU A 52 25.308 -9.772 -13.007 1.00 0.00 C ATOM 775 C GLU A 52 24.691 -10.172 -11.651 1.00 0.00 C ATOM 776 O GLU A 52 25.137 -11.139 -11.029 1.00 0.00 O ATOM 777 CB GLU A 52 26.445 -8.788 -12.697 1.00 0.00 C ATOM 778 CG GLU A 52 27.337 -8.390 -13.876 1.00 0.00 C ATOM 779 CD GLU A 52 28.696 -7.864 -13.369 1.00 0.00 C ATOM 780 OE1 GLU A 52 28.719 -7.061 -12.401 1.00 0.00 O ATOM 781 OE2 GLU A 52 29.752 -8.272 -13.906 1.00 0.00 O ATOM 0 H GLU A 52 24.527 -8.232 -14.223 1.00 0.00 H new ATOM 0 HA GLU A 52 25.684 -10.655 -13.524 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.008 -7.882 -12.277 1.00 0.00 H new ATOM 0 HB3 GLU A 52 27.076 -9.226 -11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 52 27.493 -9.249 -14.528 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.842 -7.623 -14.472 1.00 0.00 H new ATOM 788 N VAL A 53 23.662 -9.438 -11.202 1.00 0.00 N ATOM 789 CA VAL A 53 22.906 -9.703 -9.959 1.00 0.00 C ATOM 790 C VAL A 53 21.577 -10.434 -10.219 1.00 0.00 C ATOM 791 O VAL A 53 20.750 -10.572 -9.318 1.00 0.00 O ATOM 792 CB VAL A 53 22.741 -8.426 -9.105 1.00 0.00 C ATOM 793 CG1 VAL A 53 24.104 -7.897 -8.641 1.00 0.00 C ATOM 794 CG2 VAL A 53 22.023 -7.293 -9.843 1.00 0.00 C ATOM 0 H VAL A 53 23.319 -8.619 -11.705 1.00 0.00 H new ATOM 0 HA VAL A 53 23.504 -10.394 -9.364 1.00 0.00 H new ATOM 0 HB VAL A 53 22.129 -8.726 -8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 53 23.961 -6.998 -8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 53 24.604 -8.657 -8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 53 24.717 -7.660 -9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.940 -6.426 -9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 53 22.591 -7.021 -10.733 1.00 0.00 H new ATOM 0 HG23 VAL A 53 21.026 -7.623 -10.135 1.00 0.00 H new ATOM 804 N GLY A 54 21.368 -10.920 -11.450 1.00 0.00 N ATOM 805 CA GLY A 54 20.189 -11.696 -11.857 1.00 0.00 C ATOM 806 C GLY A 54 18.891 -10.885 -11.979 1.00 0.00 C ATOM 807 O GLY A 54 17.806 -11.467 -11.916 1.00 0.00 O ATOM 0 H GLY A 54 22.033 -10.780 -12.211 1.00 0.00 H new ATOM 0 HA2 GLY A 54 20.397 -12.168 -12.817 1.00 0.00 H new ATOM 0 HA3 GLY A 54 20.033 -12.497 -11.135 1.00 0.00 H new ATOM 811 N ILE A 55 18.988 -9.558 -12.134 1.00 0.00 N ATOM 812 CA ILE A 55 17.852 -8.634 -12.276 1.00 0.00 C ATOM 813 C ILE A 55 17.732 -8.183 -13.735 1.00 0.00 C ATOM 814 O ILE A 55 18.733 -7.898 -14.390 1.00 0.00 O ATOM 815 CB ILE A 55 18.000 -7.450 -11.293 1.00 0.00 C ATOM 816 CG1 ILE A 55 17.878 -7.957 -9.836 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.969 -6.340 -11.564 1.00 0.00 C ATOM 818 CD1 ILE A 55 18.021 -6.875 -8.755 1.00 0.00 C ATOM 0 H ILE A 55 19.889 -9.081 -12.165 1.00 0.00 H new ATOM 0 HA ILE A 55 16.923 -9.142 -12.017 1.00 0.00 H new ATOM 0 HB ILE A 55 18.988 -7.015 -11.445 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.909 -8.442 -9.717 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.639 -8.719 -9.668 1.00 0.00 H new ATOM 0 HG21 ILE A 55 17.111 -5.529 -10.849 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.102 -5.959 -12.576 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.962 -6.745 -11.458 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.921 -7.330 -7.770 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.000 -6.404 -8.839 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.244 -6.123 -8.888 1.00 0.00 H new ATOM 830 N ASP A 56 16.499 -8.082 -14.240 1.00 0.00 N ATOM 831 CA ASP A 56 16.224 -7.655 -15.613 1.00 0.00 C ATOM 832 C ASP A 56 15.584 -6.258 -15.669 1.00 0.00 C ATOM 833 O ASP A 56 14.541 -6.012 -15.062 1.00 0.00 O ATOM 834 CB ASP A 56 15.361 -8.709 -16.322 1.00 0.00 C ATOM 835 CG ASP A 56 15.069 -8.314 -17.779 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.954 -7.695 -18.416 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.956 -8.601 -18.280 1.00 0.00 O ATOM 0 H ASP A 56 15.659 -8.296 -13.703 1.00 0.00 H new ATOM 0 HA ASP A 56 17.174 -7.572 -16.141 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.871 -9.672 -16.301 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.422 -8.834 -15.783 1.00 0.00 H new ATOM 842 N ILE A 57 16.203 -5.361 -16.444 1.00 0.00 N ATOM 843 CA ILE A 57 15.660 -4.040 -16.816 1.00 0.00 C ATOM 844 C ILE A 57 15.528 -3.863 -18.346 1.00 0.00 C ATOM 845 O ILE A 57 15.312 -2.754 -18.824 1.00 0.00 O ATOM 846 CB ILE A 57 16.435 -2.885 -16.131 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.922 -2.843 -16.535 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.315 -2.954 -14.595 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.529 -1.434 -16.420 1.00 0.00 C ATOM 0 H ILE A 57 17.125 -5.535 -16.845 1.00 0.00 H new ATOM 0 HA ILE A 57 14.641 -3.994 -16.431 1.00 0.00 H new ATOM 0 HB ILE A 57 15.968 -1.965 -16.483 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.485 -3.530 -15.903 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.026 -3.196 -17.561 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.871 -2.129 -14.149 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.266 -2.882 -14.308 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.724 -3.900 -14.240 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.577 -1.464 -16.717 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.987 -0.750 -17.073 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.454 -1.088 -15.389 1.00 0.00 H new ATOM 861 N SER A 58 15.639 -4.935 -19.142 1.00 0.00 N ATOM 862 CA SER A 58 15.633 -4.880 -20.620 1.00 0.00 C ATOM 863 C SER A 58 14.313 -4.359 -21.207 1.00 0.00 C ATOM 864 O SER A 58 14.304 -3.780 -22.293 1.00 0.00 O ATOM 865 CB SER A 58 15.904 -6.267 -21.228 1.00 0.00 C ATOM 866 OG SER A 58 17.009 -6.899 -20.618 1.00 0.00 O ATOM 0 H SER A 58 15.737 -5.882 -18.777 1.00 0.00 H new ATOM 0 HA SER A 58 16.427 -4.179 -20.879 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.019 -6.893 -21.115 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.088 -6.166 -22.298 1.00 0.00 H new ATOM 0 HG SER A 58 16.691 -7.529 -19.938 1.00 0.00 H new ATOM 872 N GLY A 59 13.203 -4.538 -20.480 1.00 0.00 N ATOM 873 CA GLY A 59 11.873 -4.032 -20.839 1.00 0.00 C ATOM 874 C GLY A 59 11.645 -2.541 -20.542 1.00 0.00 C ATOM 875 O GLY A 59 10.546 -2.044 -20.792 1.00 0.00 O ATOM 0 H GLY A 59 13.206 -5.054 -19.600 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.710 -4.205 -21.903 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.123 -4.613 -20.303 1.00 0.00 H new ATOM 879 N GLN A 60 12.638 -1.817 -20.002 1.00 0.00 N ATOM 880 CA GLN A 60 12.555 -0.373 -19.762 1.00 0.00 C ATOM 881 C GLN A 60 13.021 0.414 -21.000 1.00 0.00 C ATOM 882 O GLN A 60 13.627 -0.120 -21.931 1.00 0.00 O ATOM 883 CB GLN A 60 13.320 -0.007 -18.475 1.00 0.00 C ATOM 884 CG GLN A 60 12.515 -0.396 -17.218 1.00 0.00 C ATOM 885 CD GLN A 60 13.382 -0.740 -16.012 1.00 0.00 C ATOM 886 OE1 GLN A 60 13.321 -1.847 -15.491 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.216 0.156 -15.529 1.00 0.00 N ATOM 0 H GLN A 60 13.529 -2.225 -19.718 1.00 0.00 H new ATOM 0 HA GLN A 60 11.516 -0.086 -19.601 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.284 -0.516 -18.465 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.524 1.064 -18.462 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.852 0.428 -16.954 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.882 -1.251 -17.454 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.274 1.081 -15.956 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.804 -0.074 -14.728 1.00 0.00 H new ATOM 896 N THR A 61 12.720 1.707 -20.999 1.00 0.00 N ATOM 897 CA THR A 61 12.915 2.686 -22.060 1.00 0.00 C ATOM 898 C THR A 61 13.219 3.997 -21.351 1.00 0.00 C ATOM 899 O THR A 61 12.890 4.161 -20.168 1.00 0.00 O ATOM 900 CB THR A 61 11.653 2.861 -22.934 1.00 0.00 C ATOM 901 OG1 THR A 61 10.459 2.884 -22.175 1.00 0.00 O ATOM 902 CG2 THR A 61 11.513 1.723 -23.945 1.00 0.00 C ATOM 0 H THR A 61 12.293 2.136 -20.178 1.00 0.00 H new ATOM 0 HA THR A 61 13.713 2.364 -22.729 1.00 0.00 H new ATOM 0 HB THR A 61 11.788 3.819 -23.436 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.207 3.813 -21.989 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.615 1.877 -24.544 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.386 1.707 -24.598 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.438 0.773 -23.416 1.00 0.00 H new ATOM 910 N SER A 62 13.870 4.924 -22.042 1.00 0.00 N ATOM 911 CA SER A 62 13.989 6.270 -21.500 1.00 0.00 C ATOM 912 C SER A 62 12.695 7.044 -21.753 1.00 0.00 C ATOM 913 O SER A 62 12.214 7.090 -22.890 1.00 0.00 O ATOM 914 CB SER A 62 15.149 7.005 -22.111 1.00 0.00 C ATOM 915 OG SER A 62 16.361 6.327 -21.874 1.00 0.00 O ATOM 0 H SER A 62 14.311 4.777 -22.950 1.00 0.00 H new ATOM 0 HA SER A 62 14.167 6.190 -20.428 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.992 7.111 -23.184 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.205 8.012 -21.696 1.00 0.00 H new ATOM 0 HG SER A 62 16.552 6.324 -20.913 1.00 0.00 H new ATOM 921 N ASP A 63 12.147 7.656 -20.708 1.00 0.00 N ATOM 922 CA ASP A 63 10.892 8.422 -20.780 1.00 0.00 C ATOM 923 C ASP A 63 10.944 9.751 -19.996 1.00 0.00 C ATOM 924 O ASP A 63 11.453 9.786 -18.869 1.00 0.00 O ATOM 925 CB ASP A 63 9.705 7.554 -20.337 1.00 0.00 C ATOM 926 CG ASP A 63 9.363 6.495 -21.403 1.00 0.00 C ATOM 927 OD1 ASP A 63 8.584 6.820 -22.331 1.00 0.00 O ATOM 928 OD2 ASP A 63 9.846 5.338 -21.316 1.00 0.00 O ATOM 0 H ASP A 63 12.560 7.638 -19.775 1.00 0.00 H new ATOM 0 HA ASP A 63 10.752 8.700 -21.825 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.943 7.062 -19.394 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.836 8.186 -20.156 1.00 0.00 H new ATOM 933 N PRO A 64 10.422 10.862 -20.558 1.00 0.00 N ATOM 934 CA PRO A 64 10.605 12.194 -19.994 1.00 0.00 C ATOM 935 C PRO A 64 9.653 12.503 -18.829 1.00 0.00 C ATOM 936 O PRO A 64 8.466 12.176 -18.861 1.00 0.00 O ATOM 937 CB PRO A 64 10.407 13.160 -21.165 1.00 0.00 C ATOM 938 CG PRO A 64 9.396 12.427 -22.043 1.00 0.00 C ATOM 939 CD PRO A 64 9.801 10.964 -21.875 1.00 0.00 C ATOM 0 HA PRO A 64 11.596 12.286 -19.549 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.028 14.126 -20.832 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.340 13.349 -21.695 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.372 12.604 -21.714 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.457 12.747 -23.083 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.933 10.309 -21.948 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.496 10.660 -22.658 1.00 0.00 H new ATOM 947 N ILE A 65 10.157 13.242 -17.840 1.00 0.00 N ATOM 948 CA ILE A 65 9.431 13.734 -16.657 1.00 0.00 C ATOM 949 C ILE A 65 8.168 14.520 -17.054 1.00 0.00 C ATOM 950 O ILE A 65 7.121 14.386 -16.429 1.00 0.00 O ATOM 951 CB ILE A 65 10.413 14.568 -15.792 1.00 0.00 C ATOM 952 CG1 ILE A 65 9.885 14.705 -14.358 1.00 0.00 C ATOM 953 CG2 ILE A 65 10.726 15.960 -16.381 1.00 0.00 C ATOM 954 CD1 ILE A 65 10.810 15.507 -13.434 1.00 0.00 C ATOM 0 H ILE A 65 11.135 13.532 -17.838 1.00 0.00 H new ATOM 0 HA ILE A 65 9.071 12.893 -16.064 1.00 0.00 H new ATOM 0 HB ILE A 65 11.353 14.017 -15.787 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.907 15.186 -14.385 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.740 13.710 -13.937 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.418 16.486 -15.724 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.178 15.845 -17.366 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.803 16.533 -16.470 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.371 15.561 -12.438 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.781 15.016 -13.376 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.936 16.514 -13.831 1.00 0.00 H new ATOM 966 N GLU A 66 8.248 15.260 -18.165 1.00 0.00 N ATOM 967 CA GLU A 66 7.165 16.094 -18.709 1.00 0.00 C ATOM 968 C GLU A 66 5.877 15.317 -19.053 1.00 0.00 C ATOM 969 O GLU A 66 4.798 15.915 -19.063 1.00 0.00 O ATOM 970 CB GLU A 66 7.665 16.827 -19.968 1.00 0.00 C ATOM 971 CG GLU A 66 8.908 17.698 -19.732 1.00 0.00 C ATOM 972 CD GLU A 66 9.212 18.566 -20.969 1.00 0.00 C ATOM 973 OE1 GLU A 66 9.866 18.071 -21.920 1.00 0.00 O ATOM 974 OE2 GLU A 66 8.798 19.752 -21.005 1.00 0.00 O ATOM 0 H GLU A 66 9.096 15.298 -18.731 1.00 0.00 H new ATOM 0 HA GLU A 66 6.898 16.795 -17.918 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.891 16.090 -20.739 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.862 17.455 -20.353 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.750 18.337 -18.864 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.765 17.063 -19.508 1.00 0.00 H new ATOM 981 N ASN A 67 5.960 14.001 -19.316 1.00 0.00 N ATOM 982 CA ASN A 67 4.778 13.172 -19.616 1.00 0.00 C ATOM 983 C ASN A 67 4.116 12.546 -18.364 1.00 0.00 C ATOM 984 O ASN A 67 2.995 12.038 -18.456 1.00 0.00 O ATOM 985 CB ASN A 67 5.137 12.133 -20.704 1.00 0.00 C ATOM 986 CG ASN A 67 5.290 10.714 -20.172 1.00 0.00 C ATOM 987 OD1 ASN A 67 4.488 9.831 -20.438 1.00 0.00 O ATOM 988 ND2 ASN A 67 6.293 10.458 -19.371 1.00 0.00 N ATOM 0 H ASN A 67 6.840 13.485 -19.327 1.00 0.00 H new ATOM 0 HA ASN A 67 4.003 13.829 -20.011 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.363 12.142 -21.471 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.067 12.433 -21.186 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.402 9.525 -18.972 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.965 11.191 -19.145 1.00 0.00 H new ATOM 995 N PHE A 68 4.795 12.545 -17.209 1.00 0.00 N ATOM 996 CA PHE A 68 4.387 11.815 -16.004 1.00 0.00 C ATOM 997 C PHE A 68 3.682 12.698 -14.953 1.00 0.00 C ATOM 998 O PHE A 68 3.560 13.916 -15.099 1.00 0.00 O ATOM 999 CB PHE A 68 5.624 11.097 -15.432 1.00 0.00 C ATOM 1000 CG PHE A 68 6.142 9.915 -16.232 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.293 8.833 -16.535 1.00 0.00 C ATOM 1002 CD2 PHE A 68 7.486 9.873 -16.647 1.00 0.00 C ATOM 1003 CE1 PHE A 68 5.777 7.730 -17.260 1.00 0.00 C ATOM 1004 CE2 PHE A 68 7.969 8.772 -17.381 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.115 7.697 -17.681 1.00 0.00 C ATOM 0 H PHE A 68 5.664 13.065 -17.085 1.00 0.00 H new ATOM 0 HA PHE A 68 3.630 11.083 -16.284 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.429 11.825 -15.336 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.385 10.752 -14.426 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.264 8.851 -16.208 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.150 10.689 -16.402 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.118 6.907 -17.493 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.996 8.754 -17.713 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.488 6.848 -18.234 1.00 0.00 H new ATOM 1015 N ASN A 69 3.200 12.050 -13.883 1.00 0.00 N ATOM 1016 CA ASN A 69 2.360 12.626 -12.828 1.00 0.00 C ATOM 1017 C ASN A 69 3.062 12.605 -11.454 1.00 0.00 C ATOM 1018 O ASN A 69 2.939 11.634 -10.707 1.00 0.00 O ATOM 1019 CB ASN A 69 0.996 11.888 -12.837 1.00 0.00 C ATOM 1020 CG ASN A 69 1.061 10.370 -13.018 1.00 0.00 C ATOM 1021 OD1 ASN A 69 0.589 9.823 -14.005 1.00 0.00 O ATOM 1022 ND2 ASN A 69 1.658 9.641 -12.100 1.00 0.00 N ATOM 0 H ASN A 69 3.396 11.062 -13.724 1.00 0.00 H new ATOM 0 HA ASN A 69 2.182 13.683 -13.026 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.483 12.101 -11.899 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.384 12.304 -13.637 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.724 8.630 -12.215 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.055 10.087 -11.273 1.00 0.00 H new ATOM 1029 N ALA A 70 3.736 13.699 -11.076 1.00 0.00 N ATOM 1030 CA ALA A 70 4.366 13.827 -9.753 1.00 0.00 C ATOM 1031 C ALA A 70 3.388 13.516 -8.600 1.00 0.00 C ATOM 1032 O ALA A 70 3.773 12.902 -7.610 1.00 0.00 O ATOM 1033 CB ALA A 70 4.879 15.257 -9.571 1.00 0.00 C ATOM 0 H ALA A 70 3.860 14.516 -11.674 1.00 0.00 H new ATOM 0 HA ALA A 70 5.180 13.103 -9.715 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.346 15.354 -8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.611 15.482 -10.346 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.045 15.955 -9.646 1.00 0.00 H new ATOM 1039 N ASP A 71 2.119 13.910 -8.768 1.00 0.00 N ATOM 1040 CA ASP A 71 1.040 13.813 -7.777 1.00 0.00 C ATOM 1041 C ASP A 71 0.769 12.387 -7.264 1.00 0.00 C ATOM 1042 O ASP A 71 0.359 12.210 -6.113 1.00 0.00 O ATOM 1043 CB ASP A 71 -0.234 14.362 -8.432 1.00 0.00 C ATOM 1044 CG ASP A 71 -1.408 14.437 -7.443 1.00 0.00 C ATOM 1045 OD1 ASP A 71 -1.362 15.278 -6.512 1.00 0.00 O ATOM 1046 OD2 ASP A 71 -2.394 13.679 -7.608 1.00 0.00 O ATOM 0 H ASP A 71 1.801 14.326 -9.643 1.00 0.00 H new ATOM 0 HA ASP A 71 1.349 14.385 -6.902 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.035 15.356 -8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.510 13.727 -9.274 1.00 0.00 H new ATOM 1051 N ASP A 72 1.000 11.368 -8.101 1.00 0.00 N ATOM 1052 CA ASP A 72 0.813 9.963 -7.712 1.00 0.00 C ATOM 1053 C ASP A 72 2.043 9.370 -7.011 1.00 0.00 C ATOM 1054 O ASP A 72 1.909 8.469 -6.185 1.00 0.00 O ATOM 1055 CB ASP A 72 0.449 9.123 -8.940 1.00 0.00 C ATOM 1056 CG ASP A 72 0.002 7.703 -8.541 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -0.988 7.570 -7.781 1.00 0.00 O ATOM 1058 OD2 ASP A 72 0.623 6.719 -9.006 1.00 0.00 O ATOM 0 H ASP A 72 1.320 11.492 -9.062 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.004 9.938 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.350 9.615 -9.495 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.309 9.061 -9.607 1.00 0.00 H new ATOM 1063 N TYR A 73 3.244 9.863 -7.322 1.00 0.00 N ATOM 1064 CA TYR A 73 4.492 9.327 -6.800 1.00 0.00 C ATOM 1065 C TYR A 73 4.753 9.882 -5.398 1.00 0.00 C ATOM 1066 O TYR A 73 5.317 10.963 -5.231 1.00 0.00 O ATOM 1067 CB TYR A 73 5.630 9.614 -7.790 1.00 0.00 C ATOM 1068 CG TYR A 73 5.393 9.130 -9.212 1.00 0.00 C ATOM 1069 CD1 TYR A 73 4.833 7.860 -9.464 1.00 0.00 C ATOM 1070 CD2 TYR A 73 5.775 9.947 -10.291 1.00 0.00 C ATOM 1071 CE1 TYR A 73 4.627 7.428 -10.787 1.00 0.00 C ATOM 1072 CE2 TYR A 73 5.611 9.500 -11.617 1.00 0.00 C ATOM 1073 CZ TYR A 73 5.009 8.244 -11.868 1.00 0.00 C ATOM 1074 OH TYR A 73 4.817 7.790 -13.139 1.00 0.00 O ATOM 0 H TYR A 73 3.373 10.655 -7.951 1.00 0.00 H new ATOM 0 HA TYR A 73 4.428 8.244 -6.697 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.805 10.690 -7.814 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.542 9.151 -7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.562 7.218 -8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.197 10.923 -10.102 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.174 6.466 -10.974 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.944 10.115 -12.440 1.00 0.00 H new ATOM 0 HH TYR A 73 5.129 8.464 -13.778 1.00 0.00 H new ATOM 1084 N ASP A 74 4.337 9.113 -4.386 1.00 0.00 N ATOM 1085 CA ASP A 74 4.513 9.426 -2.963 1.00 0.00 C ATOM 1086 C ASP A 74 5.955 9.854 -2.637 1.00 0.00 C ATOM 1087 O ASP A 74 6.178 10.749 -1.820 1.00 0.00 O ATOM 1088 CB ASP A 74 4.160 8.176 -2.136 1.00 0.00 C ATOM 1089 CG ASP A 74 2.749 7.650 -2.414 1.00 0.00 C ATOM 1090 OD1 ASP A 74 1.757 8.236 -1.926 1.00 0.00 O ATOM 1091 OD2 ASP A 74 2.650 6.630 -3.137 1.00 0.00 O ATOM 0 H ASP A 74 3.853 8.228 -4.539 1.00 0.00 H new ATOM 0 HA ASP A 74 3.856 10.260 -2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.883 7.389 -2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.251 8.412 -1.076 1.00 0.00 H new ATOM 1096 N VAL A 75 6.937 9.259 -3.325 1.00 0.00 N ATOM 1097 CA VAL A 75 8.347 9.642 -3.242 1.00 0.00 C ATOM 1098 C VAL A 75 8.929 9.909 -4.632 1.00 0.00 C ATOM 1099 O VAL A 75 8.719 9.126 -5.561 1.00 0.00 O ATOM 1100 CB VAL A 75 9.169 8.560 -2.529 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.621 9.007 -2.335 1.00 0.00 C ATOM 1102 CG2 VAL A 75 8.568 8.181 -1.171 1.00 0.00 C ATOM 0 H VAL A 75 6.768 8.484 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 75 8.402 10.562 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 75 9.145 7.680 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.179 8.220 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.074 9.204 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.645 9.915 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.183 7.412 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.536 9.061 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.557 7.800 -1.314 1.00 0.00 H new ATOM 1112 N VAL A 76 9.736 10.962 -4.761 1.00 0.00 N ATOM 1113 CA VAL A 76 10.542 11.236 -5.964 1.00 0.00 C ATOM 1114 C VAL A 76 12.020 11.321 -5.593 1.00 0.00 C ATOM 1115 O VAL A 76 12.375 11.915 -4.582 1.00 0.00 O ATOM 1116 CB VAL A 76 10.054 12.505 -6.686 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.977 12.940 -7.836 1.00 0.00 C ATOM 1118 CG2 VAL A 76 8.662 12.269 -7.284 1.00 0.00 C ATOM 0 H VAL A 76 9.854 11.661 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 76 10.418 10.411 -6.666 1.00 0.00 H new ATOM 0 HB VAL A 76 10.043 13.290 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.577 13.840 -8.303 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.973 13.147 -7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.036 12.142 -8.577 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.326 13.173 -7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.707 11.447 -7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.961 12.019 -6.487 1.00 0.00 H new ATOM 1128 N ILE A 77 12.889 10.741 -6.415 1.00 0.00 N ATOM 1129 CA ILE A 77 14.337 10.699 -6.190 1.00 0.00 C ATOM 1130 C ILE A 77 15.058 11.253 -7.417 1.00 0.00 C ATOM 1131 O ILE A 77 14.787 10.799 -8.525 1.00 0.00 O ATOM 1132 CB ILE A 77 14.794 9.248 -5.926 1.00 0.00 C ATOM 1133 CG1 ILE A 77 13.982 8.495 -4.849 1.00 0.00 C ATOM 1134 CG2 ILE A 77 16.291 9.195 -5.588 1.00 0.00 C ATOM 1135 CD1 ILE A 77 14.087 9.066 -3.430 1.00 0.00 C ATOM 0 H ILE A 77 12.604 10.276 -7.277 1.00 0.00 H new ATOM 0 HA ILE A 77 14.581 11.307 -5.319 1.00 0.00 H new ATOM 0 HB ILE A 77 14.602 8.724 -6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 77 12.933 8.492 -5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 77 14.311 7.456 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.587 8.162 -5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.867 9.596 -6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.484 9.790 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.481 8.466 -2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 77 15.127 9.043 -3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.728 10.095 -3.424 1.00 0.00 H new ATOM 1147 N SER A 78 16.002 12.178 -7.243 1.00 0.00 N ATOM 1148 CA SER A 78 16.906 12.611 -8.322 1.00 0.00 C ATOM 1149 C SER A 78 18.243 11.879 -8.228 1.00 0.00 C ATOM 1150 O SER A 78 18.802 11.732 -7.147 1.00 0.00 O ATOM 1151 CB SER A 78 17.124 14.119 -8.302 1.00 0.00 C ATOM 1152 OG SER A 78 17.967 14.461 -9.393 1.00 0.00 O ATOM 0 H SER A 78 16.166 12.651 -6.354 1.00 0.00 H new ATOM 0 HA SER A 78 16.431 12.357 -9.270 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.171 14.642 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.579 14.425 -7.360 1.00 0.00 H new ATOM 0 HG SER A 78 18.118 15.429 -9.399 1.00 0.00 H new ATOM 1158 N LEU A 79 18.771 11.433 -9.367 1.00 0.00 N ATOM 1159 CA LEU A 79 20.063 10.751 -9.511 1.00 0.00 C ATOM 1160 C LEU A 79 20.861 11.394 -10.657 1.00 0.00 C ATOM 1161 O LEU A 79 21.402 10.702 -11.514 1.00 0.00 O ATOM 1162 CB LEU A 79 19.874 9.226 -9.694 1.00 0.00 C ATOM 1163 CG LEU A 79 18.991 8.512 -8.650 1.00 0.00 C ATOM 1164 CD1 LEU A 79 17.533 8.454 -9.104 1.00 0.00 C ATOM 1165 CD2 LEU A 79 19.440 7.060 -8.468 1.00 0.00 C ATOM 0 H LEU A 79 18.289 11.541 -10.259 1.00 0.00 H new ATOM 0 HA LEU A 79 20.641 10.874 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.445 9.051 -10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 79 20.858 8.757 -9.687 1.00 0.00 H new ATOM 0 HG LEU A 79 19.087 9.079 -7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 79 16.936 7.945 -8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.155 9.467 -9.244 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.467 7.909 -10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.805 6.573 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.360 6.532 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.475 7.039 -8.128 1.00 0.00 H new ATOM 1177 N CYS A 80 20.840 12.728 -10.742 1.00 0.00 N ATOM 1178 CA CYS A 80 21.431 13.484 -11.858 1.00 0.00 C ATOM 1179 C CYS A 80 22.874 13.937 -11.583 1.00 0.00 C ATOM 1180 O CYS A 80 23.732 13.823 -12.457 1.00 0.00 O ATOM 1181 CB CYS A 80 20.531 14.693 -12.169 1.00 0.00 C ATOM 1182 SG CYS A 80 18.836 14.159 -12.536 1.00 0.00 S ATOM 0 H CYS A 80 20.409 13.321 -10.033 1.00 0.00 H new ATOM 0 HA CYS A 80 21.487 12.819 -12.720 1.00 0.00 H new ATOM 0 HB2 CYS A 80 20.526 15.376 -11.319 1.00 0.00 H new ATOM 0 HB3 CYS A 80 20.935 15.244 -13.018 1.00 0.00 H new ATOM 0 HG CYS A 80 18.136 14.152 -11.440 1.00 0.00 H new ATOM 1188 N GLY A 81 23.160 14.380 -10.355 1.00 0.00 N ATOM 1189 CA GLY A 81 24.412 15.060 -9.978 1.00 0.00 C ATOM 1190 C GLY A 81 24.164 16.565 -9.805 1.00 0.00 C ATOM 1191 O GLY A 81 23.080 16.968 -9.376 1.00 0.00 O ATOM 0 H GLY A 81 22.514 14.275 -9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 81 24.799 14.638 -9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 81 25.170 14.894 -10.744 1.00 0.00 H new ATOM 1195 N CYS A 82 25.142 17.399 -10.164 1.00 0.00 N ATOM 1196 CA CYS A 82 24.970 18.862 -10.203 1.00 0.00 C ATOM 1197 C CYS A 82 24.021 19.308 -11.340 1.00 0.00 C ATOM 1198 O CYS A 82 23.836 18.602 -12.334 1.00 0.00 O ATOM 1199 CB CYS A 82 26.349 19.530 -10.326 1.00 0.00 C ATOM 1200 SG CYS A 82 27.306 19.273 -8.801 1.00 0.00 S ATOM 0 H CYS A 82 26.074 17.086 -10.436 1.00 0.00 H new ATOM 0 HA CYS A 82 24.498 19.180 -9.273 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.888 19.115 -11.177 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.229 20.597 -10.514 1.00 0.00 H new ATOM 0 HG CYS A 82 28.470 19.840 -8.918 1.00 0.00 H new ATOM 1206 N GLY A 83 23.441 20.509 -11.211 1.00 0.00 N ATOM 1207 CA GLY A 83 22.662 21.171 -12.273 1.00 0.00 C ATOM 1208 C GLY A 83 21.153 20.884 -12.297 1.00 0.00 C ATOM 1209 O GLY A 83 20.463 21.393 -13.182 1.00 0.00 O ATOM 0 H GLY A 83 23.499 21.059 -10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.803 22.248 -12.179 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.080 20.878 -13.236 1.00 0.00 H new ATOM 1213 N VAL A 84 20.626 20.089 -11.353 1.00 0.00 N ATOM 1214 CA VAL A 84 19.206 19.669 -11.303 1.00 0.00 C ATOM 1215 C VAL A 84 18.640 19.794 -9.883 1.00 0.00 C ATOM 1216 O VAL A 84 19.175 19.203 -8.947 1.00 0.00 O ATOM 1217 CB VAL A 84 19.041 18.225 -11.822 1.00 0.00 C ATOM 1218 CG1 VAL A 84 17.571 17.780 -11.828 1.00 0.00 C ATOM 1219 CG2 VAL A 84 19.570 18.070 -13.252 1.00 0.00 C ATOM 0 H VAL A 84 21.181 19.710 -10.586 1.00 0.00 H new ATOM 0 HA VAL A 84 18.641 20.337 -11.953 1.00 0.00 H new ATOM 0 HB VAL A 84 19.617 17.603 -11.137 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.502 16.758 -12.201 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.173 17.824 -10.814 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.993 18.441 -12.474 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.435 17.039 -13.580 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.022 18.737 -13.917 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.630 18.323 -13.277 1.00 0.00 H new ATOM 1229 N ASN A 85 17.521 20.521 -9.739 1.00 0.00 N ATOM 1230 CA ASN A 85 16.804 20.699 -8.463 1.00 0.00 C ATOM 1231 C ASN A 85 15.268 20.478 -8.538 1.00 0.00 C ATOM 1232 O ASN A 85 14.593 20.639 -7.523 1.00 0.00 O ATOM 1233 CB ASN A 85 17.173 22.086 -7.890 1.00 0.00 C ATOM 1234 CG ASN A 85 18.596 22.134 -7.350 1.00 0.00 C ATOM 1235 OD1 ASN A 85 18.873 21.719 -6.232 1.00 0.00 O ATOM 1236 ND2 ASN A 85 19.550 22.625 -8.112 1.00 0.00 N ATOM 0 H ASN A 85 17.080 21.010 -10.518 1.00 0.00 H new ATOM 0 HA ASN A 85 17.132 19.909 -7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 85 17.058 22.840 -8.669 1.00 0.00 H new ATOM 0 HB3 ASN A 85 16.476 22.343 -7.092 1.00 0.00 H new ATOM 0 HD21 ASN A 85 20.510 22.657 -7.770 1.00 0.00 H new ATOM 0 HD22 ASN A 85 19.329 22.973 -9.045 1.00 0.00 H new ATOM 1243 N LEU A 86 14.716 20.115 -9.712 1.00 0.00 N ATOM 1244 CA LEU A 86 13.274 19.904 -9.976 1.00 0.00 C ATOM 1245 C LEU A 86 12.332 20.966 -9.339 1.00 0.00 C ATOM 1246 O LEU A 86 11.524 20.626 -8.477 1.00 0.00 O ATOM 1247 CB LEU A 86 12.878 18.454 -9.600 1.00 0.00 C ATOM 1248 CG LEU A 86 13.535 17.301 -10.367 1.00 0.00 C ATOM 1249 CD1 LEU A 86 12.911 15.990 -9.887 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.287 17.430 -11.869 1.00 0.00 C ATOM 0 H LEU A 86 15.287 19.953 -10.542 1.00 0.00 H new ATOM 0 HA LEU A 86 13.129 20.047 -11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.093 18.314 -8.541 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.799 18.362 -9.721 1.00 0.00 H new ATOM 0 HG LEU A 86 14.610 17.323 -10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.364 15.155 -10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.085 15.875 -8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.838 16.005 -10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.764 16.599 -12.389 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.215 17.412 -12.064 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.705 18.371 -12.227 1.00 0.00 H new ATOM 1262 N PRO A 87 12.369 22.240 -9.783 1.00 0.00 N ATOM 1263 CA PRO A 87 11.512 23.310 -9.244 1.00 0.00 C ATOM 1264 C PRO A 87 9.979 23.069 -9.145 1.00 0.00 C ATOM 1265 O PRO A 87 9.375 23.688 -8.260 1.00 0.00 O ATOM 1266 CB PRO A 87 11.797 24.530 -10.125 1.00 0.00 C ATOM 1267 CG PRO A 87 13.233 24.304 -10.586 1.00 0.00 C ATOM 1268 CD PRO A 87 13.290 22.792 -10.770 1.00 0.00 C ATOM 0 HA PRO A 87 11.774 23.412 -8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.108 24.587 -10.968 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.696 25.461 -9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.449 24.834 -11.514 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.955 24.650 -9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.996 22.509 -11.781 1.00 0.00 H new ATOM 0 HD3 PRO A 87 14.301 22.416 -10.615 1.00 0.00 H new ATOM 1276 N PRO A 88 9.310 22.250 -9.997 1.00 0.00 N ATOM 1277 CA PRO A 88 7.847 22.071 -9.947 1.00 0.00 C ATOM 1278 C PRO A 88 7.333 21.184 -8.790 1.00 0.00 C ATOM 1279 O PRO A 88 8.032 20.887 -7.823 1.00 0.00 O ATOM 1280 CB PRO A 88 7.454 21.504 -11.324 1.00 0.00 C ATOM 1281 CG PRO A 88 8.656 21.741 -12.226 1.00 0.00 C ATOM 1282 CD PRO A 88 9.813 21.677 -11.242 1.00 0.00 C ATOM 0 HA PRO A 88 7.374 23.030 -9.737 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.218 20.442 -11.257 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.567 22.003 -11.714 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.739 20.980 -13.002 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.603 22.706 -12.730 1.00 0.00 H new ATOM 0 HD2 PRO A 88 10.143 20.649 -11.094 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.672 22.238 -11.611 1.00 0.00 H new ATOM 1290 N GLU A 89 6.099 20.674 -8.923 1.00 0.00 N ATOM 1291 CA GLU A 89 5.457 19.716 -7.994 1.00 0.00 C ATOM 1292 C GLU A 89 6.230 18.391 -7.783 1.00 0.00 C ATOM 1293 O GLU A 89 5.946 17.624 -6.863 1.00 0.00 O ATOM 1294 CB GLU A 89 4.006 19.459 -8.440 1.00 0.00 C ATOM 1295 CG GLU A 89 3.867 18.995 -9.899 1.00 0.00 C ATOM 1296 CD GLU A 89 2.389 18.740 -10.255 1.00 0.00 C ATOM 1297 OE1 GLU A 89 1.655 19.721 -10.538 1.00 0.00 O ATOM 1298 OE2 GLU A 89 1.951 17.565 -10.271 1.00 0.00 O ATOM 0 H GLU A 89 5.495 20.923 -9.706 1.00 0.00 H new ATOM 0 HA GLU A 89 5.469 20.189 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.565 18.705 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.429 20.374 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.281 19.751 -10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.445 18.084 -10.052 1.00 0.00 H new ATOM 1305 N TRP A 90 7.272 18.138 -8.573 1.00 0.00 N ATOM 1306 CA TRP A 90 8.205 17.016 -8.425 1.00 0.00 C ATOM 1307 C TRP A 90 8.995 16.994 -7.103 1.00 0.00 C ATOM 1308 O TRP A 90 9.534 15.948 -6.741 1.00 0.00 O ATOM 1309 CB TRP A 90 9.122 17.007 -9.646 1.00 0.00 C ATOM 1310 CG TRP A 90 8.383 16.582 -10.875 1.00 0.00 C ATOM 1311 CD1 TRP A 90 7.830 17.374 -11.820 1.00 0.00 C ATOM 1312 CD2 TRP A 90 8.054 15.223 -11.268 1.00 0.00 C ATOM 1313 NE1 TRP A 90 7.107 16.598 -12.711 1.00 0.00 N ATOM 1314 CE2 TRP A 90 7.242 15.255 -12.438 1.00 0.00 C ATOM 1315 CE3 TRP A 90 8.395 13.965 -10.748 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 6.801 14.084 -13.075 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 7.973 12.787 -11.380 1.00 0.00 C ATOM 1318 CH2 TRP A 90 7.190 12.843 -12.545 1.00 0.00 C ATOM 0 H TRP A 90 7.501 18.733 -9.369 1.00 0.00 H new ATOM 0 HA TRP A 90 7.618 16.099 -8.373 1.00 0.00 H new ATOM 0 HB2 TRP A 90 9.541 18.002 -9.796 1.00 0.00 H new ATOM 0 HB3 TRP A 90 9.959 16.332 -9.470 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.936 18.448 -11.873 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.545 16.974 -13.474 1.00 0.00 H new ATOM 0 HE3 TRP A 90 8.990 13.904 -9.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.176 14.137 -13.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 8.252 11.829 -10.968 1.00 0.00 H new ATOM 0 HH2 TRP A 90 6.886 11.929 -13.034 1.00 0.00 H new ATOM 1329 N VAL A 91 9.017 18.104 -6.352 1.00 0.00 N ATOM 1330 CA VAL A 91 9.618 18.192 -5.000 1.00 0.00 C ATOM 1331 C VAL A 91 8.606 18.500 -3.886 1.00 0.00 C ATOM 1332 O VAL A 91 8.989 18.577 -2.719 1.00 0.00 O ATOM 1333 CB VAL A 91 10.813 19.166 -4.956 1.00 0.00 C ATOM 1334 CG1 VAL A 91 11.922 18.716 -5.909 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.422 20.618 -5.264 1.00 0.00 C ATOM 0 H VAL A 91 8.612 18.986 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 91 9.993 17.190 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 91 11.180 19.142 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.753 19.420 -5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.269 17.724 -5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.535 18.683 -6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.308 21.251 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.989 20.674 -6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.691 20.961 -4.532 1.00 0.00 H new ATOM 1345 N THR A 92 7.313 18.639 -4.211 1.00 0.00 N ATOM 1346 CA THR A 92 6.229 18.912 -3.238 1.00 0.00 C ATOM 1347 C THR A 92 5.523 17.638 -2.736 1.00 0.00 C ATOM 1348 O THR A 92 4.554 17.718 -1.975 1.00 0.00 O ATOM 1349 CB THR A 92 5.207 19.923 -3.785 1.00 0.00 C ATOM 1350 OG1 THR A 92 4.493 19.359 -4.861 1.00 0.00 O ATOM 1351 CG2 THR A 92 5.864 21.206 -4.305 1.00 0.00 C ATOM 0 H THR A 92 6.978 18.565 -5.172 1.00 0.00 H new ATOM 0 HA THR A 92 6.722 19.358 -2.374 1.00 0.00 H new ATOM 0 HB THR A 92 4.551 20.169 -2.950 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.096 18.803 -5.398 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.095 21.883 -4.679 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.410 21.689 -3.495 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.554 20.960 -5.112 1.00 0.00 H new ATOM 1359 N GLN A 93 6.011 16.458 -3.143 1.00 0.00 N ATOM 1360 CA GLN A 93 5.506 15.148 -2.718 1.00 0.00 C ATOM 1361 C GLN A 93 5.949 14.801 -1.281 1.00 0.00 C ATOM 1362 O GLN A 93 6.646 15.578 -0.624 1.00 0.00 O ATOM 1363 CB GLN A 93 5.917 14.075 -3.747 1.00 0.00 C ATOM 1364 CG GLN A 93 5.506 14.421 -5.191 1.00 0.00 C ATOM 1365 CD GLN A 93 4.054 14.899 -5.304 1.00 0.00 C ATOM 1366 OE1 GLN A 93 3.116 14.291 -4.800 1.00 0.00 O ATOM 1367 NE2 GLN A 93 3.817 16.048 -5.906 1.00 0.00 N ATOM 0 H GLN A 93 6.791 16.388 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 93 4.417 15.181 -2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 93 6.998 13.940 -3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.466 13.123 -3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.169 15.197 -5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.643 13.543 -5.822 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.584 16.569 -6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.867 16.416 -5.946 1.00 0.00 H new ATOM 1376 N GLU A 94 5.535 13.636 -0.773 1.00 0.00 N ATOM 1377 CA GLU A 94 5.708 13.283 0.651 1.00 0.00 C ATOM 1378 C GLU A 94 7.191 13.157 1.055 1.00 0.00 C ATOM 1379 O GLU A 94 7.567 13.616 2.138 1.00 0.00 O ATOM 1380 CB GLU A 94 4.890 12.024 0.995 1.00 0.00 C ATOM 1381 CG GLU A 94 5.030 11.623 2.466 1.00 0.00 C ATOM 1382 CD GLU A 94 4.058 10.492 2.833 1.00 0.00 C ATOM 1383 OE1 GLU A 94 4.412 9.301 2.659 1.00 0.00 O ATOM 1384 OE2 GLU A 94 2.939 10.774 3.325 1.00 0.00 O ATOM 0 H GLU A 94 5.074 12.913 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 94 5.317 14.107 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.839 12.203 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.216 11.198 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.053 11.303 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.840 12.489 3.100 1.00 0.00 H new ATOM 1391 N ILE A 95 8.040 12.610 0.175 1.00 0.00 N ATOM 1392 CA ILE A 95 9.504 12.621 0.336 1.00 0.00 C ATOM 1393 C ILE A 95 10.189 12.939 -1.002 1.00 0.00 C ATOM 1394 O ILE A 95 9.805 12.414 -2.050 1.00 0.00 O ATOM 1395 CB ILE A 95 10.040 11.281 0.921 1.00 0.00 C ATOM 1396 CG1 ILE A 95 9.258 10.803 2.168 1.00 0.00 C ATOM 1397 CG2 ILE A 95 11.548 11.383 1.240 1.00 0.00 C ATOM 1398 CD1 ILE A 95 9.729 9.464 2.749 1.00 0.00 C ATOM 0 H ILE A 95 7.729 12.143 -0.677 1.00 0.00 H new ATOM 0 HA ILE A 95 9.746 13.405 1.053 1.00 0.00 H new ATOM 0 HB ILE A 95 9.886 10.530 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.335 11.566 2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.203 10.719 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.899 10.435 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.098 11.612 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 95 11.713 12.175 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.123 9.212 3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.625 8.684 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.775 9.544 3.046 1.00 0.00 H new ATOM 1410 N PHE A 96 11.222 13.783 -0.959 1.00 0.00 N ATOM 1411 CA PHE A 96 12.139 14.017 -2.075 1.00 0.00 C ATOM 1412 C PHE A 96 13.588 13.853 -1.588 1.00 0.00 C ATOM 1413 O PHE A 96 13.949 14.368 -0.526 1.00 0.00 O ATOM 1414 CB PHE A 96 11.904 15.370 -2.765 1.00 0.00 C ATOM 1415 CG PHE A 96 12.947 15.659 -3.837 1.00 0.00 C ATOM 1416 CD1 PHE A 96 12.799 15.152 -5.143 1.00 0.00 C ATOM 1417 CD2 PHE A 96 14.119 16.367 -3.499 1.00 0.00 C ATOM 1418 CE1 PHE A 96 13.831 15.316 -6.087 1.00 0.00 C ATOM 1419 CE2 PHE A 96 15.136 16.555 -4.451 1.00 0.00 C ATOM 1420 CZ PHE A 96 14.996 16.024 -5.742 1.00 0.00 C ATOM 0 H PHE A 96 11.448 14.334 -0.131 1.00 0.00 H new ATOM 0 HA PHE A 96 11.941 13.269 -2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.911 15.379 -3.215 1.00 0.00 H new ATOM 0 HB3 PHE A 96 11.923 16.164 -2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 96 11.892 14.636 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 96 14.236 16.767 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.728 14.897 -7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.025 17.108 -4.189 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.782 16.159 -6.470 1.00 0.00 H new ATOM 1430 N GLU A 97 14.419 13.154 -2.363 1.00 0.00 N ATOM 1431 CA GLU A 97 15.859 13.003 -2.102 1.00 0.00 C ATOM 1432 C GLU A 97 16.683 13.186 -3.384 1.00 0.00 C ATOM 1433 O GLU A 97 16.208 12.892 -4.483 1.00 0.00 O ATOM 1434 CB GLU A 97 16.181 11.619 -1.509 1.00 0.00 C ATOM 1435 CG GLU A 97 15.464 11.291 -0.193 1.00 0.00 C ATOM 1436 CD GLU A 97 15.941 9.947 0.400 1.00 0.00 C ATOM 1437 OE1 GLU A 97 17.164 9.664 0.380 1.00 0.00 O ATOM 1438 OE2 GLU A 97 15.095 9.177 0.917 1.00 0.00 O ATOM 0 H GLU A 97 14.109 12.667 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 97 16.126 13.778 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 97 15.923 10.857 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.257 11.553 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.642 12.090 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.388 11.251 -0.365 1.00 0.00 H new ATOM 1445 N ASP A 98 17.941 13.608 -3.251 1.00 0.00 N ATOM 1446 CA ASP A 98 18.903 13.673 -4.354 1.00 0.00 C ATOM 1447 C ASP A 98 20.170 12.854 -4.049 1.00 0.00 C ATOM 1448 O ASP A 98 20.904 13.123 -3.095 1.00 0.00 O ATOM 1449 CB ASP A 98 19.171 15.132 -4.759 1.00 0.00 C ATOM 1450 CG ASP A 98 20.007 15.934 -3.743 1.00 0.00 C ATOM 1451 OD1 ASP A 98 19.508 16.243 -2.632 1.00 0.00 O ATOM 1452 OD2 ASP A 98 21.152 16.315 -4.086 1.00 0.00 O ATOM 0 H ASP A 98 18.327 13.919 -2.360 1.00 0.00 H new ATOM 0 HA ASP A 98 18.468 13.197 -5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 98 19.685 15.140 -5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 98 18.216 15.637 -4.904 1.00 0.00 H new ATOM 1457 N TRP A 99 20.402 11.808 -4.851 1.00 0.00 N ATOM 1458 CA TRP A 99 21.486 10.830 -4.713 1.00 0.00 C ATOM 1459 C TRP A 99 22.542 11.086 -5.795 1.00 0.00 C ATOM 1460 O TRP A 99 22.525 10.485 -6.870 1.00 0.00 O ATOM 1461 CB TRP A 99 20.903 9.404 -4.770 1.00 0.00 C ATOM 1462 CG TRP A 99 19.815 9.026 -3.798 1.00 0.00 C ATOM 1463 CD1 TRP A 99 19.435 9.702 -2.687 1.00 0.00 C ATOM 1464 CD2 TRP A 99 18.944 7.853 -3.853 1.00 0.00 C ATOM 1465 NE1 TRP A 99 18.381 9.046 -2.080 1.00 0.00 N ATOM 1466 CE2 TRP A 99 18.020 7.913 -2.770 1.00 0.00 C ATOM 1467 CE3 TRP A 99 18.840 6.743 -4.717 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.028 6.944 -2.568 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 17.841 5.764 -4.533 1.00 0.00 C ATOM 1470 CH2 TRP A 99 16.930 5.868 -3.466 1.00 0.00 C ATOM 0 H TRP A 99 19.807 11.611 -5.656 1.00 0.00 H new ATOM 0 HA TRP A 99 21.981 10.935 -3.747 1.00 0.00 H new ATOM 0 HB2 TRP A 99 20.516 9.245 -5.777 1.00 0.00 H new ATOM 0 HB3 TRP A 99 21.727 8.704 -4.631 1.00 0.00 H new ATOM 0 HD1 TRP A 99 19.887 10.615 -2.330 1.00 0.00 H new ATOM 0 HE1 TRP A 99 17.926 9.364 -1.224 1.00 0.00 H new ATOM 0 HE3 TRP A 99 19.538 6.641 -5.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 16.348 7.023 -1.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.775 4.930 -5.215 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.158 5.123 -3.338 1.00 0.00 H new ATOM 1481 N GLN A 100 23.451 12.024 -5.530 1.00 0.00 N ATOM 1482 CA GLN A 100 24.464 12.485 -6.489 1.00 0.00 C ATOM 1483 C GLN A 100 25.650 11.497 -6.578 1.00 0.00 C ATOM 1484 O GLN A 100 26.734 11.744 -6.045 1.00 0.00 O ATOM 1485 CB GLN A 100 24.892 13.923 -6.138 1.00 0.00 C ATOM 1486 CG GLN A 100 23.732 14.938 -6.192 1.00 0.00 C ATOM 1487 CD GLN A 100 24.202 16.393 -6.073 1.00 0.00 C ATOM 1488 OE1 GLN A 100 25.231 16.796 -6.602 1.00 0.00 O ATOM 1489 NE2 GLN A 100 23.461 17.240 -5.395 1.00 0.00 N ATOM 0 H GLN A 100 23.508 12.496 -4.627 1.00 0.00 H new ATOM 0 HA GLN A 100 24.032 12.509 -7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 100 25.326 13.931 -5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 100 25.675 14.240 -6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.190 14.813 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.030 14.722 -5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 100 22.601 16.921 -4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 100 23.746 18.216 -5.315 1.00 0.00 H new ATOM 1498 N LEU A 101 25.428 10.359 -7.249 1.00 0.00 N ATOM 1499 CA LEU A 101 26.463 9.368 -7.581 1.00 0.00 C ATOM 1500 C LEU A 101 27.139 9.752 -8.907 1.00 0.00 C ATOM 1501 O LEU A 101 26.557 10.500 -9.694 1.00 0.00 O ATOM 1502 CB LEU A 101 25.830 7.960 -7.652 1.00 0.00 C ATOM 1503 CG LEU A 101 25.145 7.468 -6.363 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.575 6.071 -6.600 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.107 7.399 -5.180 1.00 0.00 C ATOM 0 H LEU A 101 24.502 10.095 -7.585 1.00 0.00 H new ATOM 0 HA LEU A 101 27.228 9.354 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.095 7.953 -8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.607 7.246 -7.923 1.00 0.00 H new ATOM 0 HG LEU A 101 24.360 8.184 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 101 24.089 5.717 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.847 6.108 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.382 5.389 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 101 25.573 7.047 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 101 26.920 6.711 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 101 26.516 8.390 -4.985 1.00 0.00 H new ATOM 1517 N GLU A 102 28.326 9.214 -9.195 1.00 0.00 N ATOM 1518 CA GLU A 102 28.981 9.416 -10.488 1.00 0.00 C ATOM 1519 C GLU A 102 28.226 8.691 -11.602 1.00 0.00 C ATOM 1520 O GLU A 102 27.433 7.783 -11.359 1.00 0.00 O ATOM 1521 CB GLU A 102 30.462 9.009 -10.440 1.00 0.00 C ATOM 1522 CG GLU A 102 30.722 7.516 -10.192 1.00 0.00 C ATOM 1523 CD GLU A 102 32.223 7.246 -9.964 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.048 7.559 -10.859 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.589 6.709 -8.889 1.00 0.00 O ATOM 0 H GLU A 102 28.855 8.632 -8.546 1.00 0.00 H new ATOM 0 HA GLU A 102 28.954 10.482 -10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.931 9.291 -11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.955 9.583 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 102 30.153 7.184 -9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.370 6.935 -11.045 1.00 0.00 H new ATOM 1532 N ASP A 103 28.470 9.103 -12.838 1.00 0.00 N ATOM 1533 CA ASP A 103 27.766 8.578 -14.009 1.00 0.00 C ATOM 1534 C ASP A 103 28.631 7.563 -14.794 1.00 0.00 C ATOM 1535 O ASP A 103 29.657 7.962 -15.355 1.00 0.00 O ATOM 1536 CB ASP A 103 27.264 9.741 -14.859 1.00 0.00 C ATOM 1537 CG ASP A 103 26.226 9.237 -15.859 1.00 0.00 C ATOM 1538 OD1 ASP A 103 26.588 8.761 -16.954 1.00 0.00 O ATOM 1539 OD2 ASP A 103 25.018 9.302 -15.537 1.00 0.00 O ATOM 0 H ASP A 103 29.165 9.815 -13.062 1.00 0.00 H new ATOM 0 HA ASP A 103 26.895 8.008 -13.685 1.00 0.00 H new ATOM 0 HB2 ASP A 103 26.826 10.508 -14.221 1.00 0.00 H new ATOM 0 HB3 ASP A 103 28.097 10.204 -15.387 1.00 0.00 H new ATOM 1544 N PRO A 104 28.255 6.263 -14.841 1.00 0.00 N ATOM 1545 CA PRO A 104 29.108 5.200 -15.401 1.00 0.00 C ATOM 1546 C PRO A 104 29.254 5.157 -16.931 1.00 0.00 C ATOM 1547 O PRO A 104 30.081 4.395 -17.434 1.00 0.00 O ATOM 1548 CB PRO A 104 28.521 3.892 -14.882 1.00 0.00 C ATOM 1549 CG PRO A 104 27.781 4.295 -13.614 1.00 0.00 C ATOM 1550 CD PRO A 104 27.203 5.633 -14.045 1.00 0.00 C ATOM 0 HA PRO A 104 30.131 5.394 -15.078 1.00 0.00 H new ATOM 0 HB2 PRO A 104 27.847 3.441 -15.610 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.301 3.160 -14.673 1.00 0.00 H new ATOM 0 HG2 PRO A 104 27.007 3.578 -13.340 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.448 4.388 -12.757 1.00 0.00 H new ATOM 0 HD2 PRO A 104 26.293 5.499 -14.630 1.00 0.00 H new ATOM 0 HD3 PRO A 104 26.941 6.246 -13.182 1.00 0.00 H new ATOM 1558 N ASP A 105 28.493 5.955 -17.682 1.00 0.00 N ATOM 1559 CA ASP A 105 28.517 5.970 -19.152 1.00 0.00 C ATOM 1560 C ASP A 105 29.926 6.269 -19.708 1.00 0.00 C ATOM 1561 O ASP A 105 30.457 7.375 -19.553 1.00 0.00 O ATOM 1562 CB ASP A 105 27.490 7.007 -19.623 1.00 0.00 C ATOM 1563 CG ASP A 105 27.378 7.192 -21.149 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.941 6.386 -21.927 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.678 8.156 -21.554 1.00 0.00 O ATOM 0 H ASP A 105 27.831 6.621 -17.283 1.00 0.00 H new ATOM 0 HA ASP A 105 28.257 4.983 -19.534 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.511 6.723 -19.237 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.741 7.969 -19.176 1.00 0.00 H new ATOM 1570 N GLY A 106 30.541 5.268 -20.353 1.00 0.00 N ATOM 1571 CA GLY A 106 31.891 5.368 -20.921 1.00 0.00 C ATOM 1572 C GLY A 106 33.025 5.336 -19.883 1.00 0.00 C ATOM 1573 O GLY A 106 34.154 5.698 -20.219 1.00 0.00 O ATOM 0 H GLY A 106 30.109 4.355 -20.496 1.00 0.00 H new ATOM 0 HA2 GLY A 106 32.037 4.548 -21.625 1.00 0.00 H new ATOM 0 HA3 GLY A 106 31.964 6.294 -21.491 1.00 0.00 H new ATOM 1577 N GLN A 107 32.745 4.926 -18.637 1.00 0.00 N ATOM 1578 CA GLN A 107 33.745 4.833 -17.558 1.00 0.00 C ATOM 1579 C GLN A 107 34.432 3.451 -17.565 1.00 0.00 C ATOM 1580 O GLN A 107 35.381 3.227 -18.319 1.00 0.00 O ATOM 1581 CB GLN A 107 33.132 5.195 -16.187 1.00 0.00 C ATOM 1582 CG GLN A 107 32.371 6.523 -16.106 1.00 0.00 C ATOM 1583 CD GLN A 107 33.182 7.804 -16.267 1.00 0.00 C ATOM 1584 OE1 GLN A 107 34.390 7.826 -16.466 1.00 0.00 O ATOM 1585 NE2 GLN A 107 32.515 8.935 -16.162 1.00 0.00 N ATOM 0 H GLN A 107 31.809 4.646 -18.345 1.00 0.00 H new ATOM 0 HA GLN A 107 34.524 5.572 -17.745 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.452 4.394 -15.895 1.00 0.00 H new ATOM 0 HB3 GLN A 107 33.934 5.216 -15.450 1.00 0.00 H new ATOM 0 HG2 GLN A 107 31.596 6.515 -16.873 1.00 0.00 H new ATOM 0 HG3 GLN A 107 31.864 6.563 -15.142 1.00 0.00 H new ATOM 0 HE21 GLN A 107 31.509 8.920 -15.996 1.00 0.00 H new ATOM 0 HE22 GLN A 107 33.005 9.826 -16.246 1.00 0.00 H new ATOM 1594 N SER A 108 33.943 2.517 -16.744 1.00 0.00 N ATOM 1595 CA SER A 108 34.361 1.110 -16.675 1.00 0.00 C ATOM 1596 C SER A 108 33.274 0.270 -15.997 1.00 0.00 C ATOM 1597 O SER A 108 32.410 0.810 -15.303 1.00 0.00 O ATOM 1598 CB SER A 108 35.683 0.975 -15.903 1.00 0.00 C ATOM 1599 OG SER A 108 35.486 1.181 -14.513 1.00 0.00 O ATOM 0 H SER A 108 33.205 2.732 -16.073 1.00 0.00 H new ATOM 0 HA SER A 108 34.512 0.746 -17.691 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.106 -0.015 -16.071 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.405 1.698 -16.282 1.00 0.00 H new ATOM 0 HG SER A 108 36.341 1.088 -14.044 1.00 0.00 H new ATOM 1605 N LEU A 109 33.336 -1.058 -16.133 1.00 0.00 N ATOM 1606 CA LEU A 109 32.396 -1.961 -15.450 1.00 0.00 C ATOM 1607 C LEU A 109 32.554 -1.899 -13.929 1.00 0.00 C ATOM 1608 O LEU A 109 31.572 -1.940 -13.199 1.00 0.00 O ATOM 1609 CB LEU A 109 32.588 -3.401 -15.947 1.00 0.00 C ATOM 1610 CG LEU A 109 32.513 -3.588 -17.472 1.00 0.00 C ATOM 1611 CD1 LEU A 109 32.634 -5.077 -17.770 1.00 0.00 C ATOM 1612 CD2 LEU A 109 31.218 -3.037 -18.069 1.00 0.00 C ATOM 0 H LEU A 109 34.028 -1.535 -16.711 1.00 0.00 H new ATOM 0 HA LEU A 109 31.385 -1.630 -15.690 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.557 -3.761 -15.601 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.830 -4.032 -15.483 1.00 0.00 H new ATOM 0 HG LEU A 109 33.327 -3.027 -17.931 1.00 0.00 H new ATOM 0 HD11 LEU A 109 32.584 -5.238 -18.847 1.00 0.00 H new ATOM 0 HD12 LEU A 109 33.587 -5.447 -17.392 1.00 0.00 H new ATOM 0 HD13 LEU A 109 31.818 -5.613 -17.285 1.00 0.00 H new ATOM 0 HD21 LEU A 109 31.218 -3.195 -19.147 1.00 0.00 H new ATOM 0 HD22 LEU A 109 30.365 -3.552 -17.627 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.146 -1.970 -17.859 1.00 0.00 H new ATOM 1624 N GLU A 110 33.780 -1.703 -13.448 1.00 0.00 N ATOM 1625 CA GLU A 110 34.059 -1.449 -12.028 1.00 0.00 C ATOM 1626 C GLU A 110 33.380 -0.161 -11.523 1.00 0.00 C ATOM 1627 O GLU A 110 32.819 -0.158 -10.428 1.00 0.00 O ATOM 1628 CB GLU A 110 35.579 -1.425 -11.809 1.00 0.00 C ATOM 1629 CG GLU A 110 35.953 -1.314 -10.324 1.00 0.00 C ATOM 1630 CD GLU A 110 37.477 -1.424 -10.127 1.00 0.00 C ATOM 1631 OE1 GLU A 110 38.181 -0.385 -10.177 1.00 0.00 O ATOM 1632 OE2 GLU A 110 37.985 -2.552 -9.914 1.00 0.00 O ATOM 0 H GLU A 110 34.616 -1.715 -14.033 1.00 0.00 H new ATOM 0 HA GLU A 110 33.631 -2.258 -11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 110 36.018 -2.332 -12.225 1.00 0.00 H new ATOM 0 HB3 GLU A 110 36.009 -0.584 -12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 110 35.599 -0.363 -9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.452 -2.101 -9.760 1.00 0.00 H new ATOM 1639 N VAL A 111 33.334 0.907 -12.327 1.00 0.00 N ATOM 1640 CA VAL A 111 32.579 2.126 -11.981 1.00 0.00 C ATOM 1641 C VAL A 111 31.071 1.887 -12.033 1.00 0.00 C ATOM 1642 O VAL A 111 30.368 2.331 -11.125 1.00 0.00 O ATOM 1643 CB VAL A 111 33.005 3.314 -12.859 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.100 4.539 -12.674 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.433 3.749 -12.503 1.00 0.00 C ATOM 0 H VAL A 111 33.812 0.956 -13.227 1.00 0.00 H new ATOM 0 HA VAL A 111 32.822 2.384 -10.950 1.00 0.00 H new ATOM 0 HB VAL A 111 32.934 2.969 -13.890 1.00 0.00 H new ATOM 0 HG11 VAL A 111 32.446 5.348 -13.317 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.075 4.278 -12.939 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.134 4.863 -11.634 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.724 4.591 -13.131 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.472 4.047 -11.455 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.119 2.918 -12.669 1.00 0.00 H new ATOM 1655 N PHE A 112 30.554 1.123 -13.006 1.00 0.00 N ATOM 1656 CA PHE A 112 29.140 0.710 -12.987 1.00 0.00 C ATOM 1657 C PHE A 112 28.804 -0.074 -11.718 1.00 0.00 C ATOM 1658 O PHE A 112 27.851 0.268 -11.032 1.00 0.00 O ATOM 1659 CB PHE A 112 28.788 -0.129 -14.218 1.00 0.00 C ATOM 1660 CG PHE A 112 28.266 0.617 -15.428 1.00 0.00 C ATOM 1661 CD1 PHE A 112 26.896 0.923 -15.518 1.00 0.00 C ATOM 1662 CD2 PHE A 112 29.131 0.964 -16.480 1.00 0.00 C ATOM 1663 CE1 PHE A 112 26.384 1.543 -16.673 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.623 1.592 -17.627 1.00 0.00 C ATOM 1665 CZ PHE A 112 27.251 1.878 -17.726 1.00 0.00 C ATOM 0 H PHE A 112 31.085 0.781 -13.807 1.00 0.00 H new ATOM 0 HA PHE A 112 28.544 1.622 -13.002 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.678 -0.682 -14.518 1.00 0.00 H new ATOM 0 HB3 PHE A 112 28.040 -0.865 -13.924 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.235 0.681 -14.699 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.186 0.747 -16.405 1.00 0.00 H new ATOM 0 HE1 PHE A 112 25.329 1.760 -16.749 1.00 0.00 H new ATOM 0 HE2 PHE A 112 29.288 1.856 -18.436 1.00 0.00 H new ATOM 0 HZ PHE A 112 26.862 2.356 -18.613 1.00 0.00 H new ATOM 1675 N ARG A 113 29.612 -1.073 -11.351 1.00 0.00 N ATOM 1676 CA ARG A 113 29.455 -1.883 -10.122 1.00 0.00 C ATOM 1677 C ARG A 113 29.528 -1.023 -8.852 1.00 0.00 C ATOM 1678 O ARG A 113 28.714 -1.199 -7.948 1.00 0.00 O ATOM 1679 CB ARG A 113 30.526 -2.993 -10.127 1.00 0.00 C ATOM 1680 CG ARG A 113 30.228 -4.065 -11.194 1.00 0.00 C ATOM 1681 CD ARG A 113 31.429 -4.952 -11.540 1.00 0.00 C ATOM 1682 NE ARG A 113 31.942 -5.693 -10.370 1.00 0.00 N ATOM 1683 CZ ARG A 113 31.655 -6.934 -10.010 1.00 0.00 C ATOM 1684 NH1 ARG A 113 30.766 -7.663 -10.626 1.00 0.00 N ATOM 1685 NH2 ARG A 113 32.266 -7.475 -8.994 1.00 0.00 N ATOM 0 H ARG A 113 30.417 -1.355 -11.910 1.00 0.00 H new ATOM 0 HA ARG A 113 28.464 -2.336 -10.114 1.00 0.00 H new ATOM 0 HB2 ARG A 113 31.505 -2.553 -10.316 1.00 0.00 H new ATOM 0 HB3 ARG A 113 30.571 -3.461 -9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 113 29.413 -4.697 -10.842 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.880 -3.572 -12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 113 31.141 -5.660 -12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 113 32.226 -4.334 -11.952 1.00 0.00 H new ATOM 0 HE ARG A 113 32.594 -5.189 -9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 113 30.257 -7.281 -11.423 1.00 0.00 H new ATOM 0 HH12 ARG A 113 30.580 -8.615 -10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 113 32.965 -6.942 -8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 113 32.045 -8.431 -8.716 1.00 0.00 H new ATOM 1699 N THR A 114 30.419 -0.032 -8.834 1.00 0.00 N ATOM 1700 CA THR A 114 30.575 0.940 -7.731 1.00 0.00 C ATOM 1701 C THR A 114 29.330 1.813 -7.549 1.00 0.00 C ATOM 1702 O THR A 114 28.932 2.104 -6.421 1.00 0.00 O ATOM 1703 CB THR A 114 31.820 1.818 -7.973 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.986 1.021 -7.951 1.00 0.00 O ATOM 1705 CG2 THR A 114 32.020 2.904 -6.916 1.00 0.00 C ATOM 0 H THR A 114 31.072 0.129 -9.601 1.00 0.00 H new ATOM 0 HA THR A 114 30.706 0.374 -6.809 1.00 0.00 H new ATOM 0 HB THR A 114 31.653 2.292 -8.940 1.00 0.00 H new ATOM 0 HG1 THR A 114 33.060 0.527 -8.794 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.914 3.481 -7.152 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.154 3.565 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 114 32.135 2.441 -5.936 1.00 0.00 H new ATOM 1713 N VAL A 115 28.673 2.210 -8.643 1.00 0.00 N ATOM 1714 CA VAL A 115 27.424 2.996 -8.611 1.00 0.00 C ATOM 1715 C VAL A 115 26.216 2.111 -8.309 1.00 0.00 C ATOM 1716 O VAL A 115 25.413 2.454 -7.445 1.00 0.00 O ATOM 1717 CB VAL A 115 27.287 3.800 -9.918 1.00 0.00 C ATOM 1718 CG1 VAL A 115 25.920 4.473 -10.103 1.00 0.00 C ATOM 1719 CG2 VAL A 115 28.351 4.905 -9.916 1.00 0.00 C ATOM 0 H VAL A 115 28.992 1.995 -9.588 1.00 0.00 H new ATOM 0 HA VAL A 115 27.465 3.714 -7.792 1.00 0.00 H new ATOM 0 HB VAL A 115 27.408 3.087 -10.734 1.00 0.00 H new ATOM 0 HG11 VAL A 115 25.907 5.018 -11.047 1.00 0.00 H new ATOM 0 HG12 VAL A 115 25.139 3.713 -10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 115 25.742 5.167 -9.281 1.00 0.00 H new ATOM 0 HG21 VAL A 115 28.272 5.488 -10.834 1.00 0.00 H new ATOM 0 HG22 VAL A 115 28.196 5.558 -9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 115 29.342 4.456 -9.856 1.00 0.00 H new ATOM 1729 N ARG A 116 26.123 0.936 -8.941 1.00 0.00 N ATOM 1730 CA ARG A 116 25.048 -0.065 -8.782 1.00 0.00 C ATOM 1731 C ARG A 116 24.785 -0.411 -7.313 1.00 0.00 C ATOM 1732 O ARG A 116 23.647 -0.343 -6.868 1.00 0.00 O ATOM 1733 CB ARG A 116 25.440 -1.307 -9.619 1.00 0.00 C ATOM 1734 CG ARG A 116 24.350 -2.385 -9.671 1.00 0.00 C ATOM 1735 CD ARG A 116 24.816 -3.693 -10.317 1.00 0.00 C ATOM 1736 NE ARG A 116 25.796 -4.405 -9.458 1.00 0.00 N ATOM 1737 CZ ARG A 116 26.716 -5.267 -9.856 1.00 0.00 C ATOM 1738 NH1 ARG A 116 26.771 -5.665 -11.087 1.00 0.00 N ATOM 1739 NH2 ARG A 116 27.597 -5.741 -9.030 1.00 0.00 N ATOM 0 H ARG A 116 26.829 0.637 -9.613 1.00 0.00 H new ATOM 0 HA ARG A 116 24.105 0.344 -9.144 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.674 -0.990 -10.635 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.349 -1.742 -9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 116 24.006 -2.592 -8.658 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.495 -1.999 -10.226 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.955 -4.337 -10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.267 -3.481 -11.286 1.00 0.00 H new ATOM 0 HE ARG A 116 25.755 -4.209 -8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 116 26.098 -5.313 -11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 116 27.488 -6.331 -11.376 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.588 -5.450 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 116 28.298 -6.405 -9.358 1.00 0.00 H new ATOM 1753 N GLY A 117 25.838 -0.709 -6.551 1.00 0.00 N ATOM 1754 CA GLY A 117 25.741 -1.044 -5.120 1.00 0.00 C ATOM 1755 C GLY A 117 25.204 0.108 -4.262 1.00 0.00 C ATOM 1756 O GLY A 117 24.399 -0.118 -3.360 1.00 0.00 O ATOM 0 H GLY A 117 26.793 -0.726 -6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.091 -1.911 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 117 26.726 -1.332 -4.754 1.00 0.00 H new ATOM 1760 N GLN A 118 25.565 1.352 -4.590 1.00 0.00 N ATOM 1761 CA GLN A 118 25.066 2.540 -3.882 1.00 0.00 C ATOM 1762 C GLN A 118 23.613 2.872 -4.259 1.00 0.00 C ATOM 1763 O GLN A 118 22.814 3.183 -3.380 1.00 0.00 O ATOM 1764 CB GLN A 118 26.013 3.726 -4.117 1.00 0.00 C ATOM 1765 CG GLN A 118 27.366 3.520 -3.417 1.00 0.00 C ATOM 1766 CD GLN A 118 28.358 4.632 -3.742 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.465 5.635 -3.050 1.00 0.00 O ATOM 1768 NE2 GLN A 118 29.112 4.504 -4.814 1.00 0.00 N ATOM 0 H GLN A 118 26.209 1.566 -5.351 1.00 0.00 H new ATOM 0 HA GLN A 118 25.053 2.321 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.173 3.857 -5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.549 4.641 -3.749 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.212 3.476 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.787 2.561 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.031 3.672 -5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.777 5.237 -5.060 1.00 0.00 H new ATOM 1777 N VAL A 119 23.227 2.729 -5.536 1.00 0.00 N ATOM 1778 CA VAL A 119 21.811 2.814 -5.953 1.00 0.00 C ATOM 1779 C VAL A 119 20.968 1.763 -5.215 1.00 0.00 C ATOM 1780 O VAL A 119 19.947 2.117 -4.630 1.00 0.00 O ATOM 1781 CB VAL A 119 21.645 2.695 -7.487 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.172 2.753 -7.884 1.00 0.00 C ATOM 1783 CG2 VAL A 119 22.337 3.841 -8.233 1.00 0.00 C ATOM 0 H VAL A 119 23.875 2.553 -6.304 1.00 0.00 H new ATOM 0 HA VAL A 119 21.446 3.803 -5.676 1.00 0.00 H new ATOM 0 HB VAL A 119 22.095 1.740 -7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 119 20.083 2.667 -8.967 1.00 0.00 H new ATOM 0 HG12 VAL A 119 19.635 1.932 -7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 119 19.745 3.702 -7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 119 22.194 3.715 -9.306 1.00 0.00 H new ATOM 0 HG22 VAL A 119 21.907 4.792 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 119 23.403 3.832 -8.006 1.00 0.00 H new ATOM 1793 N LYS A 120 21.418 0.501 -5.171 1.00 0.00 N ATOM 1794 CA LYS A 120 20.768 -0.594 -4.427 1.00 0.00 C ATOM 1795 C LYS A 120 20.625 -0.267 -2.945 1.00 0.00 C ATOM 1796 O LYS A 120 19.510 -0.303 -2.442 1.00 0.00 O ATOM 1797 CB LYS A 120 21.575 -1.890 -4.622 1.00 0.00 C ATOM 1798 CG LYS A 120 20.868 -3.102 -3.999 1.00 0.00 C ATOM 1799 CD LYS A 120 21.765 -4.346 -4.001 1.00 0.00 C ATOM 1800 CE LYS A 120 20.958 -5.542 -3.479 1.00 0.00 C ATOM 1801 NZ LYS A 120 21.833 -6.716 -3.181 1.00 0.00 N ATOM 0 H LYS A 120 22.262 0.204 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 120 19.761 -0.727 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 120 21.728 -2.066 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 120 22.562 -1.775 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 120 20.575 -2.866 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 120 19.952 -3.313 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 120 22.128 -4.547 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 120 22.641 -4.180 -3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.420 -5.251 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 120 20.209 -5.826 -4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.250 -7.503 -2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 22.327 -7.010 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 22.532 -6.453 -2.457 1.00 0.00 H new ATOM 1815 N GLU A 121 21.698 0.095 -2.241 1.00 0.00 N ATOM 1816 CA GLU A 121 21.587 0.375 -0.802 1.00 0.00 C ATOM 1817 C GLU A 121 20.645 1.536 -0.519 1.00 0.00 C ATOM 1818 O GLU A 121 19.865 1.446 0.428 1.00 0.00 O ATOM 1819 CB GLU A 121 22.964 0.511 -0.124 1.00 0.00 C ATOM 1820 CG GLU A 121 23.567 1.922 -0.117 1.00 0.00 C ATOM 1821 CD GLU A 121 24.946 1.921 0.571 1.00 0.00 C ATOM 1822 OE1 GLU A 121 25.003 1.994 1.824 1.00 0.00 O ATOM 1823 OE2 GLU A 121 25.986 1.849 -0.129 1.00 0.00 O ATOM 0 H GLU A 121 22.635 0.201 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 121 21.126 -0.496 -0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 121 22.876 0.169 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.662 -0.160 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.665 2.286 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 121 22.896 2.607 0.402 1.00 0.00 H new ATOM 1830 N ARG A 122 20.602 2.561 -1.377 1.00 0.00 N ATOM 1831 CA ARG A 122 19.639 3.648 -1.195 1.00 0.00 C ATOM 1832 C ARG A 122 18.200 3.225 -1.484 1.00 0.00 C ATOM 1833 O ARG A 122 17.352 3.528 -0.650 1.00 0.00 O ATOM 1834 CB ARG A 122 20.088 4.913 -1.928 1.00 0.00 C ATOM 1835 CG ARG A 122 21.366 5.475 -1.275 1.00 0.00 C ATOM 1836 CD ARG A 122 21.479 6.969 -1.546 1.00 0.00 C ATOM 1837 NE ARG A 122 22.679 7.546 -0.906 1.00 0.00 N ATOM 1838 CZ ARG A 122 22.764 8.669 -0.208 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.730 9.428 0.015 1.00 0.00 N ATOM 1840 NH2 ARG A 122 23.907 9.050 0.278 1.00 0.00 N ATOM 0 H ARG A 122 21.211 2.659 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 122 19.626 3.905 -0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.275 4.688 -2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.296 5.661 -1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 122 21.345 5.293 -0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 122 22.242 4.959 -1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.520 7.143 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 122 20.588 7.476 -1.175 1.00 0.00 H new ATOM 0 HE ARG A 122 23.545 7.017 -1.014 1.00 0.00 H new ATOM 0 HH11 ARG A 122 20.816 9.165 -0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 122 21.834 10.286 0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 122 24.741 8.484 0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 122 23.970 9.915 0.815 1.00 0.00 H new ATOM 1854 N VAL A 123 17.902 2.443 -2.527 1.00 0.00 N ATOM 1855 CA VAL A 123 16.549 1.887 -2.691 1.00 0.00 C ATOM 1856 C VAL A 123 16.156 0.928 -1.571 1.00 0.00 C ATOM 1857 O VAL A 123 15.036 1.036 -1.089 1.00 0.00 O ATOM 1858 CB VAL A 123 16.320 1.249 -4.070 1.00 0.00 C ATOM 1859 CG1 VAL A 123 16.372 2.284 -5.190 1.00 0.00 C ATOM 1860 CG2 VAL A 123 17.186 0.068 -4.416 1.00 0.00 C ATOM 0 H VAL A 123 18.563 2.183 -3.259 1.00 0.00 H new ATOM 0 HA VAL A 123 15.885 2.749 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 123 15.314 0.840 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 123 16.205 1.792 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.598 3.034 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 123 17.350 2.766 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 123 16.929 -0.292 -5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 123 18.234 0.367 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 123 17.023 -0.728 -3.689 1.00 0.00 H new ATOM 1870 N GLU A 124 17.054 0.068 -1.079 1.00 0.00 N ATOM 1871 CA GLU A 124 16.748 -0.814 0.059 1.00 0.00 C ATOM 1872 C GLU A 124 16.440 -0.021 1.323 1.00 0.00 C ATOM 1873 O GLU A 124 15.474 -0.323 2.025 1.00 0.00 O ATOM 1874 CB GLU A 124 17.878 -1.806 0.355 1.00 0.00 C ATOM 1875 CG GLU A 124 18.059 -2.858 -0.723 1.00 0.00 C ATOM 1876 CD GLU A 124 19.097 -3.904 -0.265 1.00 0.00 C ATOM 1877 OE1 GLU A 124 20.319 -3.629 -0.312 1.00 0.00 O ATOM 1878 OE2 GLU A 124 18.694 -5.013 0.164 1.00 0.00 O ATOM 0 H GLU A 124 17.999 -0.038 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 124 15.863 -1.377 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 124 18.811 -1.256 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.676 -2.302 1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.107 -3.345 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 124 18.387 -2.389 -1.650 1.00 0.00 H new ATOM 1885 N ASN A 125 17.211 1.038 1.581 1.00 0.00 N ATOM 1886 CA ASN A 125 16.965 1.882 2.739 1.00 0.00 C ATOM 1887 C ASN A 125 15.641 2.658 2.626 1.00 0.00 C ATOM 1888 O ASN A 125 14.977 2.889 3.633 1.00 0.00 O ATOM 1889 CB ASN A 125 18.202 2.769 3.015 1.00 0.00 C ATOM 1890 CG ASN A 125 17.944 4.263 2.974 1.00 0.00 C ATOM 1891 OD1 ASN A 125 17.762 4.933 3.980 1.00 0.00 O ATOM 1892 ND2 ASN A 125 17.920 4.817 1.784 1.00 0.00 N ATOM 0 H ASN A 125 18.003 1.325 1.006 1.00 0.00 H new ATOM 0 HA ASN A 125 16.827 1.251 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.603 2.512 3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.973 2.529 2.283 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.748 5.818 1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.073 4.246 0.953 1.00 0.00 H new ATOM 1899 N LEU A 126 15.233 3.019 1.403 1.00 0.00 N ATOM 1900 CA LEU A 126 13.993 3.745 1.141 1.00 0.00 C ATOM 1901 C LEU A 126 12.763 2.841 1.242 1.00 0.00 C ATOM 1902 O LEU A 126 11.813 3.194 1.938 1.00 0.00 O ATOM 1903 CB LEU A 126 14.121 4.431 -0.229 1.00 0.00 C ATOM 1904 CG LEU A 126 12.844 5.134 -0.712 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.367 6.230 0.240 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.122 5.754 -2.075 1.00 0.00 C ATOM 0 H LEU A 126 15.766 2.810 0.559 1.00 0.00 H new ATOM 0 HA LEU A 126 13.841 4.506 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.927 5.163 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.412 3.685 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 126 12.054 4.384 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.461 6.688 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.155 5.796 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.144 6.988 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.225 6.259 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 126 13.934 6.476 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.406 4.972 -2.779 1.00 0.00 H new ATOM 1918 N ILE A 127 12.753 1.668 0.599 1.00 0.00 N ATOM 1919 CA ILE A 127 11.561 0.796 0.616 1.00 0.00 C ATOM 1920 C ILE A 127 11.215 0.304 2.020 1.00 0.00 C ATOM 1921 O ILE A 127 10.039 0.141 2.323 1.00 0.00 O ATOM 1922 CB ILE A 127 11.671 -0.385 -0.369 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.865 -1.318 -0.062 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.689 0.170 -1.808 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.144 -2.373 -1.132 1.00 0.00 C ATOM 0 H ILE A 127 13.541 1.300 0.066 1.00 0.00 H new ATOM 0 HA ILE A 127 10.738 1.425 0.277 1.00 0.00 H new ATOM 0 HB ILE A 127 10.797 -1.026 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.759 -0.709 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.680 -1.822 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.767 -0.656 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 127 10.769 0.724 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.544 0.835 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 127 13.998 -2.980 -0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.269 -3.011 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.365 -1.881 -2.079 1.00 0.00 H new ATOM 1937 N ALA A 128 12.209 0.153 2.899 1.00 0.00 N ATOM 1938 CA ALA A 128 11.973 -0.203 4.296 1.00 0.00 C ATOM 1939 C ALA A 128 11.299 0.928 5.115 1.00 0.00 C ATOM 1940 O ALA A 128 10.697 0.653 6.157 1.00 0.00 O ATOM 1941 CB ALA A 128 13.314 -0.627 4.910 1.00 0.00 C ATOM 0 H ALA A 128 13.194 0.274 2.662 1.00 0.00 H new ATOM 0 HA ALA A 128 11.262 -1.028 4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.166 -0.899 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.709 -1.484 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.021 0.200 4.847 1.00 0.00 H new ATOM 1947 N LYS A 129 11.374 2.187 4.645 1.00 0.00 N ATOM 1948 CA LYS A 129 10.678 3.349 5.233 1.00 0.00 C ATOM 1949 C LYS A 129 9.255 3.526 4.695 1.00 0.00 C ATOM 1950 O LYS A 129 8.347 3.792 5.482 1.00 0.00 O ATOM 1951 CB LYS A 129 11.477 4.646 4.994 1.00 0.00 C ATOM 1952 CG LYS A 129 12.838 4.675 5.704 1.00 0.00 C ATOM 1953 CD LYS A 129 13.600 5.960 5.335 1.00 0.00 C ATOM 1954 CE LYS A 129 15.045 5.986 5.866 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.119 6.072 7.355 1.00 0.00 N ATOM 0 H LYS A 129 11.933 2.431 3.827 1.00 0.00 H new ATOM 0 HA LYS A 129 10.607 3.148 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.634 4.773 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.883 5.495 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.695 4.625 6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.424 3.801 5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.617 6.065 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.060 6.820 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.564 5.087 5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.570 6.837 5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.115 6.086 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.649 6.943 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.644 5.247 7.774 1.00 0.00 H new ATOM 1969 N ILE A 130 9.067 3.406 3.372 1.00 0.00 N ATOM 1970 CA ILE A 130 7.798 3.774 2.701 1.00 0.00 C ATOM 1971 C ILE A 130 6.853 2.615 2.326 1.00 0.00 C ATOM 1972 O ILE A 130 5.777 2.884 1.790 1.00 0.00 O ATOM 1973 CB ILE A 130 8.014 4.808 1.564 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.928 4.393 0.392 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.571 6.109 2.168 1.00 0.00 C ATOM 1976 CD1 ILE A 130 8.473 3.156 -0.386 1.00 0.00 C ATOM 0 H ILE A 130 9.782 3.054 2.735 1.00 0.00 H new ATOM 0 HA ILE A 130 7.226 4.273 3.483 1.00 0.00 H new ATOM 0 HB ILE A 130 7.024 4.917 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.004 5.230 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.929 4.209 0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.726 6.841 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.862 6.505 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.520 5.903 2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.182 2.949 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.426 2.300 0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.486 3.337 -0.813 1.00 0.00 H new ATOM 1988 N SER A 131 7.198 1.350 2.603 1.00 0.00 N ATOM 1989 CA SER A 131 6.304 0.196 2.371 1.00 0.00 C ATOM 1990 C SER A 131 4.963 0.291 3.120 1.00 0.00 C ATOM 1991 O SER A 131 4.963 0.446 4.365 1.00 0.00 O ATOM 1992 CB SER A 131 7.013 -1.121 2.688 1.00 0.00 C ATOM 1993 OG SER A 131 7.498 -1.130 4.022 1.00 0.00 O ATOM 1994 OXT SER A 131 3.912 0.182 2.444 1.00 0.00 O ATOM 0 H SER A 131 8.104 1.093 2.995 1.00 0.00 H new ATOM 0 HA SER A 131 6.058 0.220 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.324 -1.953 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.842 -1.268 1.995 1.00 0.00 H new ATOM 0 HG SER A 131 6.869 -0.653 4.602 1.00 0.00 H new TER 2000 SER A 131