USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 0 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 27 ASN : amide:sc= -10! C(o=-9.9!,f=-31!) USER MOD Set 1.2: A 101 SER OG : rot 128:sc= 0.147 USER MOD Set 2.1: A 69 ASN : amide:sc= -1.46! C(o=-1.9!,f=-7.1!) USER MOD Set 2.2: A 73 HIS :FLIP no HD1:sc= -0.466 F(o=-3.8,f=-1.9) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -2.08 K(o=-2.1,f=-3.1) USER MOD Single : A 24 SER OG : rot -164:sc= 0.492 USER MOD Single : A 29 GLN : amide:sc= -3.16! C(o=-3.2!,f=-3.9!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 120:sc= -0.548 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -0.411 F(o=-1.1,f=-0.41) USER MOD Single : A 48 SER OG : rot 109:sc= 0.25 USER MOD Single : A 50 SER OG : rot 150:sc= 0.243 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.742 K(o=-0.74,f=-2.2!) USER MOD Single : A 60 ASN : amide:sc= -0.0073 X(o=-0.0073,f=-0.14) USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00859) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -2.46 F(o=-4!,f=-2.5) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -2.29! C(o=-2.3!,f=-2.7!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -152:sc= -7.37! (180deg=-9.45!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.51 USER MOD Single : A 95 THR OG1 : rot -80:sc= -1.18 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.96 F(o=-2.4,f=-0.96) USER MOD Single : A 100 ASN : amide:sc= -0.0499 X(o=-0.05,f=-0.25) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -5.84! C(o=-7.2!,f=-5.8!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -1.92 F(o=-4.7!,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -9.609 -9.048 -4.926 1.00 0.00 N ATOM 49 CA TYR A 7 -8.299 -8.663 -5.422 1.00 0.00 C ATOM 50 C TYR A 7 -7.786 -7.414 -4.703 1.00 0.00 C ATOM 51 O TYR A 7 -6.850 -6.765 -5.169 1.00 0.00 O ATOM 52 CB TYR A 7 -8.488 -8.341 -6.906 1.00 0.00 C ATOM 53 CG TYR A 7 -9.121 -9.477 -7.713 1.00 0.00 C ATOM 54 CD1 TYR A 7 -10.424 -9.858 -7.463 1.00 0.00 C ATOM 55 CD2 TYR A 7 -8.388 -10.120 -8.689 1.00 0.00 C ATOM 56 CE1 TYR A 7 -11.019 -10.927 -8.223 1.00 0.00 C ATOM 57 CE2 TYR A 7 -8.984 -11.188 -9.449 1.00 0.00 C ATOM 58 CZ TYR A 7 -10.269 -11.539 -9.178 1.00 0.00 C ATOM 0 HA TYR A 7 -7.576 -9.462 -5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.112 -7.452 -6.998 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.519 -8.096 -7.341 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.997 -9.355 -6.698 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.368 -9.823 -8.883 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -12.037 -11.235 -8.039 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.423 -11.699 -10.217 1.00 0.00 H new ATOM 59 N ARG A 8 -8.421 -7.113 -3.580 1.00 0.00 N ATOM 60 CA ARG A 8 -8.040 -5.953 -2.792 1.00 0.00 C ATOM 61 C ARG A 8 -7.390 -6.393 -1.478 1.00 0.00 C ATOM 62 O ARG A 8 -7.981 -7.154 -0.714 1.00 0.00 O ATOM 63 CB ARG A 8 -9.254 -5.075 -2.483 1.00 0.00 C ATOM 64 CG ARG A 8 -9.036 -3.644 -2.980 1.00 0.00 C ATOM 65 CD ARG A 8 -7.943 -2.943 -2.171 1.00 0.00 C ATOM 66 NE ARG A 8 -8.365 -1.564 -1.838 1.00 0.00 N ATOM 67 CZ ARG A 8 -9.134 -1.247 -0.788 1.00 0.00 C ATOM 0 H ARG A 8 -9.197 -7.652 -3.197 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.326 -5.374 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.142 -5.496 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.437 -5.067 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.760 -3.660 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.967 -3.083 -2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.741 -3.501 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.015 -2.920 -2.742 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.051 -0.808 -2.446 1.00 0.00 H new ATOM 68 N ILE A 9 -6.182 -5.896 -1.257 1.00 0.00 N ATOM 69 CA ILE A 9 -5.446 -6.229 -0.050 1.00 0.00 C ATOM 70 C ILE A 9 -5.933 -5.345 1.099 1.00 0.00 C ATOM 71 O ILE A 9 -5.504 -4.199 1.231 1.00 0.00 O ATOM 72 CB ILE A 9 -3.939 -6.138 -0.300 1.00 0.00 C ATOM 73 CG1 ILE A 9 -3.514 -7.068 -1.438 1.00 0.00 C ATOM 74 CG2 ILE A 9 -3.153 -6.409 0.985 1.00 0.00 C ATOM 75 CD1 ILE A 9 -1.992 -7.091 -1.587 1.00 0.00 C ATOM 0 H ILE A 9 -5.695 -5.265 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.636 -7.262 0.240 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.706 -5.120 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.879 -8.076 -1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.970 -6.738 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.085 -6.338 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.427 -5.673 1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.387 -7.409 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.716 -7.760 -2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.633 -6.085 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.541 -7.445 -0.660 1.00 0.00 H new ATOM 76 N LYS A 10 -6.822 -5.910 1.903 1.00 0.00 N ATOM 77 CA LYS A 10 -7.372 -5.188 3.037 1.00 0.00 C ATOM 78 C LYS A 10 -6.889 -5.839 4.334 1.00 0.00 C ATOM 79 O LYS A 10 -7.320 -5.458 5.422 1.00 0.00 O ATOM 80 CB LYS A 10 -8.896 -5.095 2.925 1.00 0.00 C ATOM 81 CG LYS A 10 -9.475 -4.223 4.041 1.00 0.00 C ATOM 82 CD LYS A 10 -10.664 -3.403 3.534 1.00 0.00 C ATOM 83 CE LYS A 10 -11.986 -4.116 3.828 1.00 0.00 C ATOM 84 NZ LYS A 10 -12.406 -4.929 2.665 1.00 0.00 N ATOM 0 H LYS A 10 -7.175 -6.860 1.791 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.013 -4.159 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.168 -4.679 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.330 -6.094 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.791 -4.853 4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.703 -3.554 4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.662 -2.422 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.566 -3.239 2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.875 -4.755 4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.757 -3.383 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.305 -5.406 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.532 -4.312 1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.677 -5.641 2.458 1.00 0.00 H new ATOM 85 N LYS A 11 -6.002 -6.811 4.177 1.00 0.00 N ATOM 86 CA LYS A 11 -5.456 -7.519 5.322 1.00 0.00 C ATOM 87 C LYS A 11 -4.069 -6.961 5.646 1.00 0.00 C ATOM 88 O LYS A 11 -3.355 -6.506 4.754 1.00 0.00 O ATOM 89 CB LYS A 11 -5.471 -9.028 5.075 1.00 0.00 C ATOM 90 CG LYS A 11 -6.812 -9.639 5.488 1.00 0.00 C ATOM 91 CD LYS A 11 -7.360 -10.551 4.390 1.00 0.00 C ATOM 92 CE LYS A 11 -8.884 -10.656 4.473 1.00 0.00 C ATOM 93 NZ LYS A 11 -9.280 -11.817 5.301 1.00 0.00 N ATOM 0 H LYS A 11 -5.648 -7.125 3.273 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.078 -7.358 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.285 -9.229 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.664 -9.500 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.688 -10.208 6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.529 -8.845 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.071 -10.163 3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.918 -11.543 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.295 -9.741 4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.302 -10.757 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.317 -11.873 5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.904 -12.690 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.897 -11.705 6.261 1.00 0.00 H new ATOM 94 N ASN A 12 -3.729 -7.015 6.926 1.00 0.00 N ATOM 95 CA ASN A 12 -2.439 -6.522 7.379 1.00 0.00 C ATOM 96 C ASN A 12 -1.335 -7.451 6.871 1.00 0.00 C ATOM 97 O ASN A 12 -0.449 -7.023 6.135 1.00 0.00 O ATOM 98 CB ASN A 12 -2.367 -6.493 8.907 1.00 0.00 C ATOM 99 CG ASN A 12 -3.447 -5.579 9.490 1.00 0.00 C ATOM 100 OD1 ASN A 12 -3.983 -4.707 8.826 1.00 0.00 O ATOM 101 ND2 ASN A 12 -3.736 -5.828 10.764 1.00 0.00 N ATOM 0 H ASN A 12 -4.324 -7.392 7.663 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.310 -5.511 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.489 -7.502 9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.383 -6.146 9.222 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.445 -5.273 11.244 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.249 -6.574 11.261 1.00 0.00 H new ATOM 102 N ALA A 13 -1.426 -8.707 7.285 1.00 0.00 N ATOM 103 CA ALA A 13 -0.446 -9.700 6.881 1.00 0.00 C ATOM 104 C ALA A 13 -0.220 -9.604 5.371 1.00 0.00 C ATOM 105 O ALA A 13 0.921 -9.569 4.911 1.00 0.00 O ATOM 106 CB ALA A 13 -0.920 -11.091 7.311 1.00 0.00 C ATOM 0 H ALA A 13 -2.163 -9.059 7.896 1.00 0.00 H new ATOM 0 HA ALA A 13 0.510 -9.515 7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.184 -11.836 7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.037 -11.117 8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.877 -11.312 6.837 1.00 0.00 H new ATOM 107 N ASP A 14 -1.325 -9.563 4.641 1.00 0.00 N ATOM 108 CA ASP A 14 -1.262 -9.470 3.193 1.00 0.00 C ATOM 109 C ASP A 14 -0.417 -8.256 2.800 1.00 0.00 C ATOM 110 O ASP A 14 0.257 -8.272 1.770 1.00 0.00 O ATOM 111 CB ASP A 14 -2.658 -9.289 2.591 1.00 0.00 C ATOM 112 CG ASP A 14 -3.373 -10.589 2.217 1.00 0.00 C ATOM 113 OD1 ASP A 14 -3.460 -11.465 3.105 1.00 0.00 O ATOM 114 OD2 ASP A 14 -3.817 -10.677 1.052 1.00 0.00 O ATOM 0 H ASP A 14 -2.269 -9.593 5.026 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.823 -10.393 2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.277 -8.743 3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.575 -8.668 1.699 1.00 0.00 H new ATOM 115 N PHE A 15 -0.483 -7.233 3.639 1.00 0.00 N ATOM 116 CA PHE A 15 0.269 -6.014 3.392 1.00 0.00 C ATOM 117 C PHE A 15 1.690 -6.123 3.947 1.00 0.00 C ATOM 118 O PHE A 15 2.631 -5.586 3.364 1.00 0.00 O ATOM 119 CB PHE A 15 -0.464 -4.883 4.118 1.00 0.00 C ATOM 120 CG PHE A 15 -1.288 -3.983 3.195 1.00 0.00 C ATOM 121 CD1 PHE A 15 -0.680 -3.308 2.182 1.00 0.00 C ATOM 122 CD2 PHE A 15 -2.629 -3.857 3.387 1.00 0.00 C ATOM 123 CE1 PHE A 15 -1.445 -2.473 1.327 1.00 0.00 C ATOM 124 CE2 PHE A 15 -3.394 -3.021 2.531 1.00 0.00 C ATOM 125 CZ PHE A 15 -2.786 -2.346 1.518 1.00 0.00 C ATOM 0 H PHE A 15 -1.045 -7.223 4.490 1.00 0.00 H new ATOM 0 HA PHE A 15 0.340 -5.832 2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.123 -5.315 4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.266 -4.271 4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.384 -3.408 2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.112 -4.393 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.962 -1.937 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.458 -2.921 2.684 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.367 -1.710 0.866 1.00 0.00 H new ATOM 126 N GLN A 16 1.802 -6.822 5.066 1.00 0.00 N ATOM 127 CA GLN A 16 3.092 -7.009 5.707 1.00 0.00 C ATOM 128 C GLN A 16 3.951 -7.981 4.896 1.00 0.00 C ATOM 129 O GLN A 16 5.121 -7.707 4.628 1.00 0.00 O ATOM 130 CB GLN A 16 2.925 -7.495 7.147 1.00 0.00 C ATOM 131 CG GLN A 16 1.700 -6.855 7.804 1.00 0.00 C ATOM 132 CD GLN A 16 2.034 -6.344 9.207 1.00 0.00 C ATOM 133 OE1 GLN A 16 2.760 -6.965 9.965 1.00 0.00 O ATOM 134 NE2 GLN A 16 1.463 -5.181 9.508 1.00 0.00 N ATOM 0 H GLN A 16 1.019 -7.266 5.546 1.00 0.00 H new ATOM 0 HA GLN A 16 3.601 -6.046 5.742 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.823 -8.580 7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.819 -7.253 7.722 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.342 -6.030 7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.891 -7.584 7.861 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.866 -4.714 8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.622 -4.756 10.421 1.00 0.00 H new ATOM 135 N ARG A 17 3.339 -9.097 4.528 1.00 0.00 N ATOM 136 CA ARG A 17 4.032 -10.112 3.753 1.00 0.00 C ATOM 137 C ARG A 17 4.818 -9.463 2.613 1.00 0.00 C ATOM 138 O ARG A 17 5.807 -10.021 2.139 1.00 0.00 O ATOM 139 CB ARG A 17 3.049 -11.129 3.172 1.00 0.00 C ATOM 140 CG ARG A 17 3.261 -12.512 3.792 1.00 0.00 C ATOM 141 CD ARG A 17 2.579 -12.611 5.158 1.00 0.00 C ATOM 142 NE ARG A 17 2.014 -13.966 5.345 1.00 0.00 N ATOM 143 CZ ARG A 17 0.959 -14.439 4.669 1.00 0.00 C ATOM 0 H ARG A 17 2.370 -9.321 4.753 1.00 0.00 H new ATOM 0 HA ARG A 17 4.718 -10.630 4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.027 -10.797 3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.177 -11.187 2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.863 -13.278 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.328 -12.707 3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.298 -12.395 5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.788 -11.865 5.234 1.00 0.00 H new ATOM 0 HE ARG A 17 2.456 -14.578 6.031 1.00 0.00 H new ATOM 144 N ILE A 18 4.349 -8.293 2.203 1.00 0.00 N ATOM 145 CA ILE A 18 4.995 -7.562 1.127 1.00 0.00 C ATOM 146 C ILE A 18 6.109 -6.688 1.706 1.00 0.00 C ATOM 147 O ILE A 18 7.236 -6.705 1.213 1.00 0.00 O ATOM 148 CB ILE A 18 3.962 -6.782 0.312 1.00 0.00 C ATOM 149 CG1 ILE A 18 2.658 -7.571 0.180 1.00 0.00 C ATOM 150 CG2 ILE A 18 4.528 -6.378 -1.050 1.00 0.00 C ATOM 151 CD1 ILE A 18 2.850 -8.804 -0.705 1.00 0.00 C ATOM 0 H ILE A 18 3.528 -7.833 2.598 1.00 0.00 H new ATOM 0 HA ILE A 18 5.463 -8.253 0.426 1.00 0.00 H new ATOM 0 HB ILE A 18 3.729 -5.862 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.313 -7.878 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.883 -6.932 -0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.773 -5.825 -1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.407 -5.749 -0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.809 -7.272 -1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.908 -9.347 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.171 -8.492 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.608 -9.453 -0.266 1.00 0.00 H new ATOM 152 N TYR A 19 5.756 -5.946 2.745 1.00 0.00 N ATOM 153 CA TYR A 19 6.712 -5.068 3.397 1.00 0.00 C ATOM 154 C TYR A 19 7.740 -5.871 4.195 1.00 0.00 C ATOM 155 O TYR A 19 8.657 -5.301 4.784 1.00 0.00 O ATOM 156 CB TYR A 19 5.898 -4.200 4.360 1.00 0.00 C ATOM 157 CG TYR A 19 5.443 -2.867 3.765 1.00 0.00 C ATOM 158 CD1 TYR A 19 4.578 -2.851 2.690 1.00 0.00 C ATOM 159 CD2 TYR A 19 5.899 -1.680 4.302 1.00 0.00 C ATOM 160 CE1 TYR A 19 4.150 -1.595 2.130 1.00 0.00 C ATOM 161 CE2 TYR A 19 5.471 -0.424 3.742 1.00 0.00 C ATOM 162 CZ TYR A 19 4.617 -0.444 2.684 1.00 0.00 C ATOM 0 H TYR A 19 4.821 -5.935 3.152 1.00 0.00 H new ATOM 0 HA TYR A 19 7.256 -4.477 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.020 -4.760 4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.497 -4.003 5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.222 -3.780 2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.577 -1.693 5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.473 -1.568 1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.820 0.512 4.153 1.00 0.00 H new ATOM 163 N LYS A 20 7.551 -7.183 4.190 1.00 0.00 N ATOM 164 CA LYS A 20 8.451 -8.070 4.907 1.00 0.00 C ATOM 165 C LYS A 20 9.379 -8.763 3.908 1.00 0.00 C ATOM 166 O LYS A 20 10.484 -8.288 3.649 1.00 0.00 O ATOM 167 CB LYS A 20 7.658 -9.041 5.785 1.00 0.00 C ATOM 168 CG LYS A 20 8.596 -9.919 6.616 1.00 0.00 C ATOM 169 CD LYS A 20 8.588 -11.363 6.109 1.00 0.00 C ATOM 170 CE LYS A 20 8.164 -12.330 7.216 1.00 0.00 C ATOM 171 NZ LYS A 20 9.350 -12.852 7.931 1.00 0.00 N ATOM 0 H LYS A 20 6.789 -7.652 3.701 1.00 0.00 H new ATOM 0 HA LYS A 20 9.083 -7.502 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.996 -8.482 6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.025 -9.670 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.609 -9.519 6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.291 -9.895 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.906 -11.451 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.581 -11.631 5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.504 -11.821 7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.597 -13.157 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.044 -13.507 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.966 -13.355 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.875 -12.061 8.356 1.00 0.00 H new ATOM 172 N LYS A 21 8.898 -9.876 3.374 1.00 0.00 N ATOM 173 CA LYS A 21 9.672 -10.639 2.409 1.00 0.00 C ATOM 174 C LYS A 21 9.537 -9.992 1.028 1.00 0.00 C ATOM 175 O LYS A 21 10.413 -10.148 0.179 1.00 0.00 O ATOM 176 CB LYS A 21 9.263 -12.112 2.440 1.00 0.00 C ATOM 177 CG LYS A 21 10.168 -12.913 3.379 1.00 0.00 C ATOM 178 CD LYS A 21 11.007 -13.927 2.599 1.00 0.00 C ATOM 179 CE LYS A 21 11.889 -14.749 3.542 1.00 0.00 C ATOM 180 NZ LYS A 21 13.157 -15.120 2.875 1.00 0.00 N ATOM 0 H LYS A 21 7.982 -10.268 3.591 1.00 0.00 H new ATOM 0 HA LYS A 21 10.730 -10.620 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.227 -12.199 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.316 -12.529 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.825 -12.234 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.560 -13.432 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.351 -14.592 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.631 -13.406 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.100 -14.175 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.358 -15.649 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.743 -15.677 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.951 -15.686 2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.670 -14.258 2.600 1.00 0.00 H new ATOM 181 N GLY A 22 8.433 -9.283 0.847 1.00 0.00 N ATOM 182 CA GLY A 22 8.173 -8.613 -0.415 1.00 0.00 C ATOM 183 C GLY A 22 9.279 -7.608 -0.741 1.00 0.00 C ATOM 184 O GLY A 22 10.097 -7.280 0.117 1.00 0.00 O ATOM 0 H GLY A 22 7.708 -9.158 1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.100 -9.351 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.213 -8.099 -0.367 1.00 0.00 H new ATOM 185 N HIS A 23 9.269 -7.146 -1.983 1.00 0.00 N ATOM 186 CA HIS A 23 10.261 -6.186 -2.433 1.00 0.00 C ATOM 187 C HIS A 23 9.564 -5.021 -3.139 1.00 0.00 C ATOM 188 O HIS A 23 9.064 -5.175 -4.252 1.00 0.00 O ATOM 189 CB HIS A 23 11.317 -6.864 -3.308 1.00 0.00 C ATOM 190 CG HIS A 23 12.160 -5.902 -4.111 1.00 0.00 C ATOM 191 ND1 HIS A 23 13.483 -5.633 -3.811 1.00 0.00 N ATOM 192 CD2 HIS A 23 11.852 -5.150 -5.208 1.00 0.00 C ATOM 193 CE1 HIS A 23 13.942 -4.755 -4.691 1.00 0.00 C ATOM 194 NE2 HIS A 23 12.930 -4.457 -5.556 1.00 0.00 N ATOM 0 H HIS A 23 8.588 -7.420 -2.692 1.00 0.00 H new ATOM 0 HA HIS A 23 10.794 -5.779 -1.574 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.971 -7.461 -2.673 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.820 -7.553 -3.991 1.00 0.00 H new ATOM 0 HD1 HIS A 23 14.015 -6.041 -3.043 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.895 -5.123 -5.708 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.942 -4.347 -4.719 1.00 0.00 H new ATOM 195 N SER A 24 9.555 -3.881 -2.464 1.00 0.00 N ATOM 196 CA SER A 24 8.928 -2.690 -3.013 1.00 0.00 C ATOM 197 C SER A 24 9.966 -1.850 -3.761 1.00 0.00 C ATOM 198 O SER A 24 11.161 -1.944 -3.486 1.00 0.00 O ATOM 199 CB SER A 24 8.266 -1.859 -1.912 1.00 0.00 C ATOM 200 OG SER A 24 9.224 -1.151 -1.129 1.00 0.00 O ATOM 0 H SER A 24 9.972 -3.757 -1.541 1.00 0.00 H new ATOM 0 HA SER A 24 8.152 -3.003 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.570 -1.151 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.682 -2.514 -1.265 1.00 0.00 H new ATOM 0 HG SER A 24 8.803 -0.840 -0.300 1.00 0.00 H new ATOM 201 N VAL A 25 9.470 -1.049 -4.692 1.00 0.00 N ATOM 202 CA VAL A 25 10.339 -0.193 -5.482 1.00 0.00 C ATOM 203 C VAL A 25 9.710 1.197 -5.597 1.00 0.00 C ATOM 204 O VAL A 25 8.514 1.322 -5.855 1.00 0.00 O ATOM 205 CB VAL A 25 10.615 -0.839 -6.841 1.00 0.00 C ATOM 206 CG1 VAL A 25 11.393 -2.147 -6.679 1.00 0.00 C ATOM 207 CG2 VAL A 25 9.314 -1.068 -7.614 1.00 0.00 C ATOM 0 H VAL A 25 8.478 -0.974 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 25 11.305 -0.073 -4.992 1.00 0.00 H new ATOM 0 HB VAL A 25 11.232 -0.151 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.576 -2.585 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.345 -1.946 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.813 -2.843 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.539 -1.528 -8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.661 -1.726 -7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.814 -0.113 -7.776 1.00 0.00 H new ATOM 208 N ALA A 26 10.545 2.207 -5.402 1.00 0.00 N ATOM 209 CA ALA A 26 10.087 3.584 -5.481 1.00 0.00 C ATOM 210 C ALA A 26 10.893 4.324 -6.549 1.00 0.00 C ATOM 211 O ALA A 26 12.107 4.153 -6.647 1.00 0.00 O ATOM 212 CB ALA A 26 10.201 4.240 -4.104 1.00 0.00 C ATOM 0 H ALA A 26 11.537 2.099 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 26 9.038 3.624 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.857 5.273 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.586 3.694 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.241 4.222 -3.777 1.00 0.00 H new ATOM 213 N ASN A 27 10.186 5.133 -7.325 1.00 0.00 N ATOM 214 CA ASN A 27 10.821 5.901 -8.382 1.00 0.00 C ATOM 215 C ASN A 27 11.269 7.254 -7.825 1.00 0.00 C ATOM 216 O ASN A 27 12.434 7.428 -7.471 1.00 0.00 O ATOM 217 CB ASN A 27 9.847 6.164 -9.533 1.00 0.00 C ATOM 218 CG ASN A 27 8.469 6.569 -9.005 1.00 0.00 C ATOM 219 OD1 ASN A 27 8.126 6.345 -7.855 1.00 0.00 O ATOM 220 ND2 ASN A 27 7.701 7.175 -9.905 1.00 0.00 N ATOM 0 H ASN A 27 9.179 5.273 -7.242 1.00 0.00 H new ATOM 0 HA ASN A 27 11.671 5.327 -8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.241 6.953 -10.174 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.756 5.269 -10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.763 7.484 -9.650 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.050 7.331 -10.851 1.00 0.00 H new ATOM 221 N ARG A 28 10.322 8.177 -7.764 1.00 0.00 N ATOM 222 CA ARG A 28 10.604 9.509 -7.256 1.00 0.00 C ATOM 223 C ARG A 28 9.678 9.837 -6.083 1.00 0.00 C ATOM 224 O ARG A 28 10.141 10.235 -5.015 1.00 0.00 O ATOM 225 CB ARG A 28 10.426 10.564 -8.349 1.00 0.00 C ATOM 226 CG ARG A 28 11.735 10.794 -9.107 1.00 0.00 C ATOM 227 CD ARG A 28 12.376 12.124 -8.706 1.00 0.00 C ATOM 228 NE ARG A 28 13.445 12.481 -9.666 1.00 0.00 N ATOM 229 CZ ARG A 28 14.003 13.696 -9.750 1.00 0.00 C ATOM 0 H ARG A 28 9.357 8.029 -8.058 1.00 0.00 H new ATOM 0 HA ARG A 28 11.641 9.523 -6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.650 10.245 -9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.090 11.501 -7.904 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.426 9.977 -8.902 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.544 10.788 -10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.620 12.909 -8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.789 12.049 -7.700 1.00 0.00 H new ATOM 0 HE ARG A 28 13.777 11.757 -10.303 1.00 0.00 H new ATOM 230 N GLN A 29 8.387 9.659 -6.322 1.00 0.00 N ATOM 231 CA GLN A 29 7.392 9.932 -5.299 1.00 0.00 C ATOM 232 C GLN A 29 6.416 8.759 -5.182 1.00 0.00 C ATOM 233 O GLN A 29 5.430 8.838 -4.450 1.00 0.00 O ATOM 234 CB GLN A 29 6.649 11.237 -5.590 1.00 0.00 C ATOM 235 CG GLN A 29 6.040 11.220 -6.993 1.00 0.00 C ATOM 236 CD GLN A 29 6.342 12.521 -7.739 1.00 0.00 C ATOM 237 OE1 GLN A 29 6.721 13.525 -7.159 1.00 0.00 O ATOM 238 NE2 GLN A 29 6.151 12.449 -9.053 1.00 0.00 N ATOM 0 H GLN A 29 8.007 9.329 -7.209 1.00 0.00 H new ATOM 0 HA GLN A 29 7.904 10.050 -4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.862 11.385 -4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.335 12.079 -5.498 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.436 10.374 -7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.961 11.079 -6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.832 11.577 -9.475 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.323 13.266 -9.639 1.00 0.00 H new ATOM 239 N PHE A 30 6.723 7.699 -5.915 1.00 0.00 N ATOM 240 CA PHE A 30 5.884 6.513 -5.904 1.00 0.00 C ATOM 241 C PHE A 30 6.625 5.325 -5.285 1.00 0.00 C ATOM 242 O PHE A 30 7.853 5.263 -5.329 1.00 0.00 O ATOM 243 CB PHE A 30 5.549 6.188 -7.361 1.00 0.00 C ATOM 244 CG PHE A 30 4.054 6.229 -7.680 1.00 0.00 C ATOM 245 CD1 PHE A 30 3.288 5.119 -7.500 1.00 0.00 C ATOM 246 CD2 PHE A 30 3.488 7.377 -8.142 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.900 5.158 -7.795 1.00 0.00 C ATOM 248 CE2 PHE A 30 2.101 7.415 -8.438 1.00 0.00 C ATOM 249 CZ PHE A 30 1.335 6.305 -8.258 1.00 0.00 C ATOM 0 H PHE A 30 7.541 7.637 -6.521 1.00 0.00 H new ATOM 0 HA PHE A 30 4.987 6.696 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.068 6.895 -8.009 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.934 5.196 -7.599 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.736 4.208 -7.132 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.095 8.259 -8.283 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.293 4.277 -7.652 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.653 8.326 -8.807 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.279 6.335 -8.483 1.00 0.00 H new ATOM 250 N VAL A 31 5.847 4.412 -4.724 1.00 0.00 N ATOM 251 CA VAL A 31 6.413 3.229 -4.098 1.00 0.00 C ATOM 252 C VAL A 31 5.455 2.050 -4.283 1.00 0.00 C ATOM 253 O VAL A 31 4.376 2.024 -3.693 1.00 0.00 O ATOM 254 CB VAL A 31 6.730 3.515 -2.629 1.00 0.00 C ATOM 255 CG1 VAL A 31 5.797 4.591 -2.066 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.660 2.237 -1.793 1.00 0.00 C ATOM 0 H VAL A 31 4.829 4.467 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 31 7.356 2.960 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 31 7.751 3.894 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.043 4.775 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.919 5.512 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.764 4.252 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.890 2.469 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.657 1.814 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.383 1.515 -2.171 1.00 0.00 H new ATOM 257 N VAL A 32 5.884 1.104 -5.105 1.00 0.00 N ATOM 258 CA VAL A 32 5.078 -0.074 -5.376 1.00 0.00 C ATOM 259 C VAL A 32 5.654 -1.267 -4.611 1.00 0.00 C ATOM 260 O VAL A 32 6.808 -1.641 -4.812 1.00 0.00 O ATOM 261 CB VAL A 32 4.994 -0.315 -6.884 1.00 0.00 C ATOM 262 CG1 VAL A 32 4.147 0.761 -7.565 1.00 0.00 C ATOM 263 CG2 VAL A 32 6.390 -0.390 -7.506 1.00 0.00 C ATOM 0 H VAL A 32 6.780 1.129 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 32 4.056 0.074 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 32 4.505 -1.276 -7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.104 0.566 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.138 0.745 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.595 1.740 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.302 -0.562 -8.579 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.917 0.548 -7.331 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.947 -1.209 -7.052 1.00 0.00 H new ATOM 264 N TYR A 33 4.822 -1.833 -3.749 1.00 0.00 N ATOM 265 CA TYR A 33 5.233 -2.977 -2.951 1.00 0.00 C ATOM 266 C TYR A 33 4.740 -4.285 -3.573 1.00 0.00 C ATOM 267 O TYR A 33 3.541 -4.561 -3.578 1.00 0.00 O ATOM 268 CB TYR A 33 4.575 -2.796 -1.583 1.00 0.00 C ATOM 269 CG TYR A 33 5.442 -2.048 -0.569 1.00 0.00 C ATOM 270 CD1 TYR A 33 5.552 -0.674 -0.635 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.114 -2.748 0.414 1.00 0.00 C ATOM 272 CE1 TYR A 33 6.368 0.029 0.319 1.00 0.00 C ATOM 273 CE2 TYR A 33 6.930 -2.044 1.368 1.00 0.00 C ATOM 274 CZ TYR A 33 7.018 -0.690 1.273 1.00 0.00 C ATOM 0 H TYR A 33 3.865 -1.521 -3.585 1.00 0.00 H new ATOM 0 HA TYR A 33 6.320 -3.030 -2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.637 -2.256 -1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.326 -3.777 -1.179 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.026 -0.126 -1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.027 -3.823 0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.462 1.104 0.278 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.461 -2.579 2.142 1.00 0.00 H new ATOM 275 N THR A 34 5.690 -5.056 -4.084 1.00 0.00 N ATOM 276 CA THR A 34 5.366 -6.328 -4.707 1.00 0.00 C ATOM 277 C THR A 34 6.248 -7.440 -4.137 1.00 0.00 C ATOM 278 O THR A 34 7.196 -7.170 -3.402 1.00 0.00 O ATOM 279 CB THR A 34 5.502 -6.160 -6.222 1.00 0.00 C ATOM 280 OG1 THR A 34 6.857 -5.762 -6.407 1.00 0.00 O ATOM 281 CG2 THR A 34 4.690 -4.977 -6.755 1.00 0.00 C ATOM 0 H THR A 34 6.683 -4.824 -4.079 1.00 0.00 H new ATOM 0 HA THR A 34 4.340 -6.626 -4.489 1.00 0.00 H new ATOM 0 HB THR A 34 5.180 -7.075 -6.719 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.032 -5.632 -7.362 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.821 -4.902 -7.834 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.635 -5.128 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.035 -4.057 -6.283 1.00 0.00 H new ATOM 282 N CYS A 35 5.905 -8.668 -4.498 1.00 0.00 N ATOM 283 CA CYS A 35 6.653 -9.823 -4.033 1.00 0.00 C ATOM 284 C CYS A 35 6.549 -10.922 -5.092 1.00 0.00 C ATOM 285 O CYS A 35 5.625 -11.734 -5.059 1.00 0.00 O ATOM 286 CB CYS A 35 6.164 -10.299 -2.664 1.00 0.00 C ATOM 287 SG CYS A 35 7.150 -11.740 -2.114 1.00 0.00 S ATOM 0 H CYS A 35 5.118 -8.888 -5.108 1.00 0.00 H new ATOM 0 HA CYS A 35 7.700 -9.551 -3.897 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.249 -9.491 -1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.109 -10.569 -2.719 1.00 0.00 H new ATOM 0 HG CYS A 35 7.747 -11.456 -0.995 1.00 0.00 H new ATOM 338 N HIS A 42 -4.824 -14.133 -9.266 1.00 0.00 N ATOM 339 CA HIS A 42 -5.505 -12.850 -9.254 1.00 0.00 C ATOM 340 C HIS A 42 -4.563 -11.774 -8.708 1.00 0.00 C ATOM 341 O HIS A 42 -4.103 -11.867 -7.571 1.00 0.00 O ATOM 342 CB HIS A 42 -6.818 -12.938 -8.476 1.00 0.00 C ATOM 343 CG HIS A 42 -6.798 -13.942 -7.348 1.00 0.00 C ATOM 344 ND1 HIS A 42 -5.764 -14.416 -6.596 1.00 0.00 N flip ATOM 345 CD2 HIS A 42 -7.938 -14.577 -6.888 1.00 0.00 C flip ATOM 346 CE1 HIS A 42 -6.247 -15.291 -5.722 1.00 0.00 C flip ATOM 347 NE2 HIS A 42 -7.595 -15.393 -5.903 1.00 0.00 N flip ATOM 0 HA HIS A 42 -5.773 -12.567 -10.272 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -7.054 -11.955 -8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -7.621 -13.198 -9.166 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -8.938 -14.432 -7.268 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.668 -15.833 -4.989 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -8.228 -15.992 -5.373 1.00 0.00 H new ATOM 348 N PHE A 43 -4.305 -10.780 -9.544 1.00 0.00 N ATOM 349 CA PHE A 43 -3.426 -9.688 -9.159 1.00 0.00 C ATOM 350 C PHE A 43 -4.028 -8.878 -8.009 1.00 0.00 C ATOM 351 O PHE A 43 -5.056 -8.224 -8.178 1.00 0.00 O ATOM 352 CB PHE A 43 -3.277 -8.781 -10.383 1.00 0.00 C ATOM 353 CG PHE A 43 -4.591 -8.159 -10.859 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.358 -8.810 -11.775 1.00 0.00 C ATOM 355 CD2 PHE A 43 -4.991 -6.956 -10.369 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.578 -8.233 -12.218 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.210 -6.378 -10.812 1.00 0.00 C ATOM 358 CZ PHE A 43 -6.978 -7.029 -11.727 1.00 0.00 C ATOM 0 H PHE A 43 -4.689 -10.707 -10.486 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.466 -10.083 -8.826 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.573 -7.983 -10.148 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.843 -9.358 -11.200 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.039 -9.765 -12.165 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.381 -6.439 -9.642 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.188 -8.750 -12.944 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.527 -5.422 -10.423 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.905 -6.590 -12.064 1.00 0.00 H new ATOM 359 N ARG A 44 -3.364 -8.949 -6.866 1.00 0.00 N ATOM 360 CA ARG A 44 -3.821 -8.231 -5.688 1.00 0.00 C ATOM 361 C ARG A 44 -3.570 -6.730 -5.852 1.00 0.00 C ATOM 362 O ARG A 44 -2.479 -6.244 -5.564 1.00 0.00 O ATOM 363 CB ARG A 44 -3.106 -8.726 -4.430 1.00 0.00 C ATOM 364 CG ARG A 44 -3.168 -10.251 -4.327 1.00 0.00 C ATOM 365 CD ARG A 44 -2.303 -10.758 -3.170 1.00 0.00 C ATOM 366 NE ARG A 44 -1.003 -11.244 -3.685 1.00 0.00 N ATOM 367 CZ ARG A 44 -0.257 -12.177 -3.080 1.00 0.00 C ATOM 0 H ARG A 44 -2.512 -9.493 -6.730 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.890 -8.415 -5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.066 -8.401 -4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.564 -8.280 -3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.201 -10.567 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.828 -10.696 -5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.141 -9.957 -2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.819 -11.562 -2.644 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.654 -10.843 -4.555 1.00 0.00 H new ATOM 368 N LEU A 45 -4.603 -6.038 -6.314 1.00 0.00 N ATOM 369 CA LEU A 45 -4.508 -4.603 -6.520 1.00 0.00 C ATOM 370 C LEU A 45 -4.689 -3.888 -5.180 1.00 0.00 C ATOM 371 O LEU A 45 -5.814 -3.669 -4.735 1.00 0.00 O ATOM 372 CB LEU A 45 -5.498 -4.151 -7.596 1.00 0.00 C ATOM 373 CG LEU A 45 -4.962 -3.147 -8.619 1.00 0.00 C ATOM 374 CD1 LEU A 45 -5.965 -2.935 -9.756 1.00 0.00 C ATOM 375 CD2 LEU A 45 -4.573 -1.831 -7.945 1.00 0.00 C ATOM 0 H LEU A 45 -5.508 -6.445 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.520 -4.335 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.850 -5.033 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.364 -3.710 -7.103 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.056 -3.561 -9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.560 -2.217 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.149 -3.884 -10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.901 -2.553 -9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.195 -1.136 -8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.447 -1.399 -7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.799 -2.018 -7.201 1.00 0.00 H new ATOM 376 N GLY A 46 -3.562 -3.543 -4.573 1.00 0.00 N ATOM 377 CA GLY A 46 -3.581 -2.858 -3.293 1.00 0.00 C ATOM 378 C GLY A 46 -3.186 -1.388 -3.451 1.00 0.00 C ATOM 379 O GLY A 46 -2.336 -1.056 -4.277 1.00 0.00 O ATOM 0 H GLY A 46 -2.630 -3.726 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.577 -2.925 -2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.896 -3.350 -2.603 1.00 0.00 H new ATOM 380 N ILE A 47 -3.821 -0.547 -2.649 1.00 0.00 N ATOM 381 CA ILE A 47 -3.548 0.880 -2.692 1.00 0.00 C ATOM 382 C ILE A 47 -3.335 1.395 -1.267 1.00 0.00 C ATOM 383 O ILE A 47 -4.111 1.079 -0.366 1.00 0.00 O ATOM 384 CB ILE A 47 -4.651 1.616 -3.454 1.00 0.00 C ATOM 385 CG1 ILE A 47 -4.791 1.071 -4.877 1.00 0.00 C ATOM 386 CG2 ILE A 47 -4.414 3.126 -3.439 1.00 0.00 C ATOM 387 CD1 ILE A 47 -6.164 1.408 -5.460 1.00 0.00 C ATOM 0 H ILE A 47 -4.524 -0.826 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.629 1.076 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.598 1.435 -2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.010 1.492 -5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.649 -0.010 -4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.213 3.625 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.404 3.482 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.456 3.349 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.237 1.009 -6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.942 0.965 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.293 2.490 -5.486 1.00 0.00 H new ATOM 388 N SER A 48 -2.281 2.181 -1.107 1.00 0.00 N ATOM 389 CA SER A 48 -1.956 2.744 0.193 1.00 0.00 C ATOM 390 C SER A 48 -1.526 4.204 0.038 1.00 0.00 C ATOM 391 O SER A 48 -1.202 4.646 -1.063 1.00 0.00 O ATOM 392 CB SER A 48 -0.856 1.936 0.883 1.00 0.00 C ATOM 393 OG SER A 48 -1.382 0.835 1.619 1.00 0.00 O ATOM 0 H SER A 48 -1.640 2.442 -1.857 1.00 0.00 H new ATOM 0 HA SER A 48 -2.848 2.700 0.818 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.153 1.569 0.135 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.296 2.586 1.555 1.00 0.00 H new ATOM 0 HG SER A 48 -1.151 -0.002 1.165 1.00 0.00 H new ATOM 394 N VAL A 49 -1.538 4.913 1.158 1.00 0.00 N ATOM 395 CA VAL A 49 -1.154 6.314 1.161 1.00 0.00 C ATOM 396 C VAL A 49 -0.514 6.660 2.506 1.00 0.00 C ATOM 397 O VAL A 49 -0.504 5.839 3.423 1.00 0.00 O ATOM 398 CB VAL A 49 -2.364 7.189 0.831 1.00 0.00 C ATOM 399 CG1 VAL A 49 -1.925 8.551 0.288 1.00 0.00 C ATOM 400 CG2 VAL A 49 -3.300 6.484 -0.152 1.00 0.00 C ATOM 0 H VAL A 49 -1.808 4.543 2.069 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.410 6.508 0.388 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.915 7.358 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.805 9.153 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.318 9.062 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.339 8.409 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.152 7.128 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.763 6.269 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.654 5.551 0.287 1.00 0.00 H new ATOM 401 N SER A 50 0.005 7.876 2.583 1.00 0.00 N ATOM 402 CA SER A 50 0.645 8.341 3.802 1.00 0.00 C ATOM 403 C SER A 50 -0.158 9.493 4.409 1.00 0.00 C ATOM 404 O SER A 50 -0.974 10.113 3.728 1.00 0.00 O ATOM 405 CB SER A 50 2.086 8.782 3.534 1.00 0.00 C ATOM 406 OG SER A 50 2.678 9.395 4.677 1.00 0.00 O ATOM 0 H SER A 50 -0.004 8.554 1.821 1.00 0.00 H new ATOM 0 HA SER A 50 0.672 7.513 4.510 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.680 7.918 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.102 9.482 2.698 1.00 0.00 H new ATOM 0 HG SER A 50 3.644 9.232 4.672 1.00 0.00 H new ATOM 407 N LYS A 51 0.099 9.744 5.684 1.00 0.00 N ATOM 408 CA LYS A 51 -0.590 10.811 6.390 1.00 0.00 C ATOM 409 C LYS A 51 0.279 12.070 6.379 1.00 0.00 C ATOM 410 O LYS A 51 -0.098 13.095 6.946 1.00 0.00 O ATOM 411 CB LYS A 51 -0.990 10.353 7.795 1.00 0.00 C ATOM 412 CG LYS A 51 -2.336 9.625 7.771 1.00 0.00 C ATOM 413 CD LYS A 51 -2.409 8.573 8.879 1.00 0.00 C ATOM 414 CE LYS A 51 -3.162 7.328 8.403 1.00 0.00 C ATOM 415 NZ LYS A 51 -3.910 6.715 9.523 1.00 0.00 N ATOM 0 H LYS A 51 0.775 9.227 6.247 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.522 11.062 5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.222 9.693 8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.050 11.215 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.145 10.345 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.478 9.148 6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.402 8.297 9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.908 8.993 9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.851 7.596 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.458 6.606 7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.415 5.872 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.246 6.441 10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.595 7.401 9.899 1.00 0.00 H new ATOM 416 N LYS A 52 1.427 11.952 5.728 1.00 0.00 N ATOM 417 CA LYS A 52 2.353 13.068 5.635 1.00 0.00 C ATOM 418 C LYS A 52 2.174 13.763 4.283 1.00 0.00 C ATOM 419 O LYS A 52 2.654 14.877 4.086 1.00 0.00 O ATOM 420 CB LYS A 52 3.785 12.599 5.900 1.00 0.00 C ATOM 421 CG LYS A 52 4.380 13.318 7.113 1.00 0.00 C ATOM 422 CD LYS A 52 4.292 12.445 8.366 1.00 0.00 C ATOM 423 CE LYS A 52 4.151 13.304 9.624 1.00 0.00 C ATOM 424 NZ LYS A 52 5.002 12.774 10.712 1.00 0.00 N ATOM 0 H LYS A 52 1.737 11.100 5.260 1.00 0.00 H new ATOM 0 HA LYS A 52 2.136 13.808 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.794 11.522 6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.402 12.788 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.421 13.572 6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.850 14.255 7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.440 11.771 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.184 11.823 8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.433 14.333 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.109 13.321 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.894 13.369 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.714 11.800 10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.997 12.780 10.409 1.00 0.00 H new ATOM 425 N LEU A 53 1.482 13.074 3.387 1.00 0.00 N ATOM 426 CA LEU A 53 1.234 13.611 2.059 1.00 0.00 C ATOM 427 C LEU A 53 1.030 15.124 2.156 1.00 0.00 C ATOM 428 O LEU A 53 1.858 15.897 1.679 1.00 0.00 O ATOM 429 CB LEU A 53 0.070 12.875 1.393 1.00 0.00 C ATOM 430 CG LEU A 53 0.290 12.446 -0.059 1.00 0.00 C ATOM 431 CD1 LEU A 53 0.817 11.011 -0.132 1.00 0.00 C ATOM 432 CD2 LEU A 53 -0.982 12.632 -0.886 1.00 0.00 C ATOM 0 H LEU A 53 1.085 12.149 3.554 1.00 0.00 H new ATOM 0 HA LEU A 53 2.097 13.446 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.157 11.987 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.810 13.517 1.432 1.00 0.00 H new ATOM 0 HG LEU A 53 1.052 13.092 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.965 10.730 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.766 10.944 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.096 10.335 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.797 12.319 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.784 12.027 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.274 13.682 -0.873 1.00 0.00 H new ATOM 433 N GLY A 54 -0.078 15.502 2.778 1.00 0.00 N ATOM 434 CA GLY A 54 -0.401 16.908 2.942 1.00 0.00 C ATOM 435 C GLY A 54 -1.857 17.089 3.377 1.00 0.00 C ATOM 436 O GLY A 54 -2.162 17.961 4.189 1.00 0.00 O ATOM 0 H GLY A 54 -0.763 14.858 3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.262 17.353 3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.230 17.436 2.004 1.00 0.00 H new ATOM 437 N ASN A 55 -2.717 16.251 2.817 1.00 0.00 N ATOM 438 CA ASN A 55 -4.133 16.307 3.136 1.00 0.00 C ATOM 439 C ASN A 55 -4.844 15.113 2.496 1.00 0.00 C ATOM 440 O ASN A 55 -4.252 14.390 1.696 1.00 0.00 O ATOM 441 CB ASN A 55 -4.770 17.586 2.590 1.00 0.00 C ATOM 442 CG ASN A 55 -6.022 17.959 3.387 1.00 0.00 C ATOM 443 OD1 ASN A 55 -6.142 17.682 4.569 1.00 0.00 O ATOM 444 ND2 ASN A 55 -6.946 18.599 2.675 1.00 0.00 N ATOM 0 H ASN A 55 -2.460 15.529 2.144 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.235 16.288 4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.050 18.403 2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.030 17.447 1.541 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.819 18.889 3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.781 18.800 1.689 1.00 0.00 H new ATOM 445 N ALA A 56 -6.103 14.943 2.872 1.00 0.00 N ATOM 446 CA ALA A 56 -6.901 13.849 2.345 1.00 0.00 C ATOM 447 C ALA A 56 -7.107 14.054 0.842 1.00 0.00 C ATOM 448 O ALA A 56 -7.235 13.086 0.093 1.00 0.00 O ATOM 449 CB ALA A 56 -8.223 13.767 3.109 1.00 0.00 C ATOM 0 H ALA A 56 -6.590 15.545 3.536 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.387 12.897 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.821 12.946 2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.022 13.593 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.769 14.703 2.993 1.00 0.00 H new ATOM 450 N VAL A 57 -7.134 15.317 0.447 1.00 0.00 N ATOM 451 CA VAL A 57 -7.322 15.660 -0.953 1.00 0.00 C ATOM 452 C VAL A 57 -6.101 15.203 -1.754 1.00 0.00 C ATOM 453 O VAL A 57 -6.204 14.938 -2.951 1.00 0.00 O ATOM 454 CB VAL A 57 -7.603 17.158 -1.091 1.00 0.00 C ATOM 455 CG1 VAL A 57 -6.299 17.955 -1.167 1.00 0.00 C ATOM 456 CG2 VAL A 57 -8.489 17.440 -2.306 1.00 0.00 C ATOM 0 H VAL A 57 -7.029 16.117 1.072 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.190 15.142 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.142 17.481 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.527 19.016 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.719 17.790 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.722 17.627 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.673 18.512 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.988 17.094 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.438 16.916 -2.194 1.00 0.00 H new ATOM 457 N LEU A 58 -4.974 15.126 -1.062 1.00 0.00 N ATOM 458 CA LEU A 58 -3.736 14.706 -1.695 1.00 0.00 C ATOM 459 C LEU A 58 -3.716 13.180 -1.805 1.00 0.00 C ATOM 460 O LEU A 58 -3.296 12.634 -2.824 1.00 0.00 O ATOM 461 CB LEU A 58 -2.530 15.284 -0.949 1.00 0.00 C ATOM 462 CG LEU A 58 -2.408 16.809 -0.953 1.00 0.00 C ATOM 463 CD1 LEU A 58 -1.259 17.269 -0.053 1.00 0.00 C ATOM 464 CD2 LEU A 58 -2.268 17.345 -2.379 1.00 0.00 C ATOM 0 H LEU A 58 -4.892 15.347 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.674 15.100 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.571 14.945 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.623 14.865 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.327 17.226 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.194 18.357 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.441 16.936 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.322 16.843 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.183 18.431 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.376 16.922 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.145 17.064 -2.961 1.00 0.00 H new ATOM 465 N ARG A 59 -4.175 12.536 -0.743 1.00 0.00 N ATOM 466 CA ARG A 59 -4.217 11.084 -0.708 1.00 0.00 C ATOM 467 C ARG A 59 -5.304 10.561 -1.649 1.00 0.00 C ATOM 468 O ARG A 59 -5.407 9.356 -1.874 1.00 0.00 O ATOM 469 CB ARG A 59 -4.488 10.574 0.709 1.00 0.00 C ATOM 470 CG ARG A 59 -3.546 11.234 1.718 1.00 0.00 C ATOM 471 CD ARG A 59 -3.952 10.889 3.152 1.00 0.00 C ATOM 472 NE ARG A 59 -4.667 12.032 3.766 1.00 0.00 N ATOM 473 CZ ARG A 59 -5.474 11.929 4.829 1.00 0.00 C ATOM 0 H ARG A 59 -4.521 12.993 0.101 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.244 10.717 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.523 10.781 0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.360 9.492 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.523 10.904 1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.561 12.315 1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.591 10.006 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.067 10.645 3.740 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.536 12.955 3.353 1.00 0.00 H new ATOM 474 N ASN A 60 -6.088 11.493 -2.172 1.00 0.00 N ATOM 475 CA ASN A 60 -7.164 11.140 -3.082 1.00 0.00 C ATOM 476 C ASN A 60 -6.672 11.282 -4.524 1.00 0.00 C ATOM 477 O ASN A 60 -7.088 10.527 -5.401 1.00 0.00 O ATOM 478 CB ASN A 60 -8.366 12.068 -2.899 1.00 0.00 C ATOM 479 CG ASN A 60 -9.573 11.301 -2.354 1.00 0.00 C ATOM 480 OD1 ASN A 60 -9.985 10.283 -2.887 1.00 0.00 O ATOM 481 ND2 ASN A 60 -10.113 11.843 -1.268 1.00 0.00 N ATOM 0 H ASN A 60 -5.999 12.491 -1.983 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.465 10.114 -2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.105 12.876 -2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.623 12.528 -3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.923 11.406 -0.829 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.718 12.697 -0.874 1.00 0.00 H new ATOM 482 N LYS A 61 -5.796 12.255 -4.724 1.00 0.00 N ATOM 483 CA LYS A 61 -5.244 12.506 -6.044 1.00 0.00 C ATOM 484 C LYS A 61 -4.319 11.351 -6.433 1.00 0.00 C ATOM 485 O LYS A 61 -4.328 10.902 -7.578 1.00 0.00 O ATOM 486 CB LYS A 61 -4.569 13.879 -6.091 1.00 0.00 C ATOM 487 CG LYS A 61 -4.519 14.416 -7.523 1.00 0.00 C ATOM 488 CD LYS A 61 -4.399 15.941 -7.531 1.00 0.00 C ATOM 489 CE LYS A 61 -5.191 16.547 -8.692 1.00 0.00 C ATOM 490 NZ LYS A 61 -4.319 17.409 -9.520 1.00 0.00 N ATOM 0 H LYS A 61 -5.455 12.879 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.039 12.543 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.113 14.578 -5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.558 13.805 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.672 13.978 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.419 14.115 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.766 16.343 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.350 16.226 -7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.614 15.752 -9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.027 17.130 -8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.880 17.839 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.908 18.159 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.555 16.836 -9.932 1.00 0.00 H new ATOM 491 N ILE A 62 -3.541 10.904 -5.458 1.00 0.00 N ATOM 492 CA ILE A 62 -2.610 9.811 -5.683 1.00 0.00 C ATOM 493 C ILE A 62 -3.396 8.515 -5.896 1.00 0.00 C ATOM 494 O ILE A 62 -2.930 7.609 -6.584 1.00 0.00 O ATOM 495 CB ILE A 62 -1.590 9.732 -4.546 1.00 0.00 C ATOM 496 CG1 ILE A 62 -0.423 10.692 -4.789 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.114 8.293 -4.335 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.101 11.494 -3.527 1.00 0.00 C ATOM 0 H ILE A 62 -3.536 11.279 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.029 9.985 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.080 10.047 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.457 10.129 -5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.671 11.373 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.390 8.265 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.966 7.661 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.647 7.927 -5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.732 12.168 -3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.975 12.074 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.170 10.812 -2.722 1.00 0.00 H new ATOM 499 N LYS A 63 -4.574 8.470 -5.292 1.00 0.00 N ATOM 500 CA LYS A 63 -5.428 7.300 -5.407 1.00 0.00 C ATOM 501 C LYS A 63 -6.279 7.416 -6.674 1.00 0.00 C ATOM 502 O LYS A 63 -6.153 6.602 -7.587 1.00 0.00 O ATOM 503 CB LYS A 63 -6.250 7.109 -4.131 1.00 0.00 C ATOM 504 CG LYS A 63 -7.163 5.886 -4.242 1.00 0.00 C ATOM 505 CD LYS A 63 -7.438 5.279 -2.866 1.00 0.00 C ATOM 506 CE LYS A 63 -8.446 4.133 -2.963 1.00 0.00 C ATOM 507 NZ LYS A 63 -9.402 4.185 -1.834 1.00 0.00 N ATOM 0 H LYS A 63 -4.957 9.224 -4.722 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.825 6.398 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.581 6.991 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.851 7.999 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.104 6.172 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.699 5.139 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.507 4.913 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.820 6.048 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.986 4.195 -3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.921 3.178 -2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.079 3.400 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.884 4.103 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.916 5.089 -1.856 1.00 0.00 H new ATOM 508 N ARG A 64 -7.125 8.435 -6.689 1.00 0.00 N ATOM 509 CA ARG A 64 -7.995 8.670 -7.828 1.00 0.00 C ATOM 510 C ARG A 64 -7.254 8.366 -9.133 1.00 0.00 C ATOM 511 O ARG A 64 -7.805 7.729 -10.030 1.00 0.00 O ATOM 512 CB ARG A 64 -8.490 10.117 -7.856 1.00 0.00 C ATOM 513 CG ARG A 64 -7.451 11.039 -8.495 1.00 0.00 C ATOM 514 CD ARG A 64 -7.970 12.476 -8.579 1.00 0.00 C ATOM 515 NE ARG A 64 -8.522 12.891 -7.271 1.00 0.00 N ATOM 516 CZ ARG A 64 -9.275 13.984 -7.085 1.00 0.00 C ATOM 0 H ARG A 64 -7.226 9.108 -5.929 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.855 8.007 -7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.425 10.175 -8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.703 10.452 -6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.530 11.015 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.205 10.678 -9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.162 13.147 -8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.739 12.549 -9.348 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.317 12.309 -6.459 1.00 0.00 H new ATOM 517 N ALA A 65 -6.017 8.835 -9.196 1.00 0.00 N ATOM 518 CA ALA A 65 -5.196 8.621 -10.376 1.00 0.00 C ATOM 519 C ALA A 65 -4.827 7.140 -10.474 1.00 0.00 C ATOM 520 O ALA A 65 -4.914 6.545 -11.548 1.00 0.00 O ATOM 521 CB ALA A 65 -3.964 9.526 -10.310 1.00 0.00 C ATOM 0 H ALA A 65 -5.563 9.362 -8.450 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.746 8.883 -11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.347 9.366 -11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.280 10.568 -10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.386 9.289 -9.417 1.00 0.00 H new ATOM 522 N ILE A 66 -4.424 6.587 -9.340 1.00 0.00 N ATOM 523 CA ILE A 66 -4.042 5.187 -9.285 1.00 0.00 C ATOM 524 C ILE A 66 -5.216 4.323 -9.749 1.00 0.00 C ATOM 525 O ILE A 66 -5.019 3.219 -10.255 1.00 0.00 O ATOM 526 CB ILE A 66 -3.528 4.825 -7.889 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.001 4.900 -7.832 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.053 3.457 -7.449 1.00 0.00 C ATOM 529 CD1 ILE A 66 -1.367 3.942 -8.844 1.00 0.00 C ATOM 0 H ILE A 66 -4.354 7.084 -8.452 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.213 4.993 -9.966 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.913 5.559 -7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.675 5.920 -8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.658 4.652 -6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.673 3.224 -6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.143 3.476 -7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.718 2.695 -8.153 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.281 4.015 -8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.675 2.921 -8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.693 4.208 -9.850 1.00 0.00 H new ATOM 530 N ARG A 67 -6.413 4.859 -9.562 1.00 0.00 N ATOM 531 CA ARG A 67 -7.620 4.152 -9.955 1.00 0.00 C ATOM 532 C ARG A 67 -7.973 4.472 -11.409 1.00 0.00 C ATOM 533 O ARG A 67 -8.953 3.954 -11.942 1.00 0.00 O ATOM 534 CB ARG A 67 -8.799 4.529 -9.056 1.00 0.00 C ATOM 535 CG ARG A 67 -9.820 3.393 -8.985 1.00 0.00 C ATOM 536 CD ARG A 67 -11.214 3.883 -9.385 1.00 0.00 C ATOM 537 NE ARG A 67 -11.973 4.291 -8.182 1.00 0.00 N ATOM 538 CZ ARG A 67 -13.282 4.573 -8.180 1.00 0.00 C ATOM 0 H ARG A 67 -6.573 5.775 -9.143 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.427 3.084 -9.851 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.437 4.761 -8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.279 5.430 -9.438 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.513 2.581 -9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.849 2.988 -7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.129 4.724 -10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.749 3.093 -9.912 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.467 4.362 -7.299 1.00 0.00 H new ATOM 539 N GLU A 68 -7.155 5.325 -12.009 1.00 0.00 N ATOM 540 CA GLU A 68 -7.369 5.720 -13.391 1.00 0.00 C ATOM 541 C GLU A 68 -6.405 4.971 -14.312 1.00 0.00 C ATOM 542 O GLU A 68 -6.764 4.615 -15.434 1.00 0.00 O ATOM 543 CB GLU A 68 -7.221 7.235 -13.556 1.00 0.00 C ATOM 544 CG GLU A 68 -8.531 7.864 -14.033 1.00 0.00 C ATOM 545 CD GLU A 68 -8.264 9.092 -14.906 1.00 0.00 C ATOM 546 OE1 GLU A 68 -7.676 8.899 -15.992 1.00 0.00 O ATOM 547 OE2 GLU A 68 -8.652 10.196 -14.466 1.00 0.00 O ATOM 0 H GLU A 68 -6.343 5.753 -11.564 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.388 5.454 -13.672 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.924 7.681 -12.607 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.428 7.451 -14.272 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.106 7.130 -14.598 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.136 8.150 -13.172 1.00 0.00 H new ATOM 548 N ASN A 69 -5.201 4.754 -13.805 1.00 0.00 N ATOM 549 CA ASN A 69 -4.182 4.053 -14.569 1.00 0.00 C ATOM 550 C ASN A 69 -4.503 2.557 -14.588 1.00 0.00 C ATOM 551 O ASN A 69 -4.785 1.992 -15.643 1.00 0.00 O ATOM 552 CB ASN A 69 -2.800 4.232 -13.938 1.00 0.00 C ATOM 553 CG ASN A 69 -1.793 3.247 -14.536 1.00 0.00 C ATOM 554 OD1 ASN A 69 -1.868 2.046 -14.338 1.00 0.00 O ATOM 555 ND2 ASN A 69 -0.849 3.822 -15.276 1.00 0.00 N ATOM 0 H ASN A 69 -4.907 5.051 -12.874 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.174 4.466 -15.578 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.453 5.253 -14.096 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.866 4.081 -12.860 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.129 3.251 -15.719 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.845 4.834 -15.401 1.00 0.00 H new ATOM 556 N PHE A 70 -4.450 1.958 -13.407 1.00 0.00 N ATOM 557 CA PHE A 70 -4.732 0.540 -13.273 1.00 0.00 C ATOM 558 C PHE A 70 -5.994 0.156 -14.049 1.00 0.00 C ATOM 559 O PHE A 70 -6.189 -1.011 -14.386 1.00 0.00 O ATOM 560 CB PHE A 70 -4.960 0.267 -11.785 1.00 0.00 C ATOM 561 CG PHE A 70 -3.690 -0.112 -11.020 1.00 0.00 C ATOM 562 CD1 PHE A 70 -2.795 -0.973 -11.574 1.00 0.00 C ATOM 563 CD2 PHE A 70 -3.457 0.412 -9.787 1.00 0.00 C ATOM 564 CE1 PHE A 70 -1.616 -1.325 -10.864 1.00 0.00 C ATOM 565 CE2 PHE A 70 -2.279 0.060 -9.077 1.00 0.00 C ATOM 566 CZ PHE A 70 -1.383 -0.801 -9.631 1.00 0.00 C ATOM 0 H PHE A 70 -4.216 2.430 -12.534 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.901 -0.043 -13.671 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.397 1.154 -11.326 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.688 -0.537 -11.681 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.980 -1.389 -12.553 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.168 1.096 -9.348 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.905 -2.009 -11.303 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.094 0.476 -8.097 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.486 -1.068 -9.091 1.00 0.00 H new ATOM 567 N LYS A 71 -6.817 1.160 -14.311 1.00 0.00 N ATOM 568 CA LYS A 71 -8.055 0.943 -15.040 1.00 0.00 C ATOM 569 C LYS A 71 -7.734 0.352 -16.415 1.00 0.00 C ATOM 570 O LYS A 71 -8.329 -0.645 -16.821 1.00 0.00 O ATOM 571 CB LYS A 71 -8.875 2.233 -15.102 1.00 0.00 C ATOM 572 CG LYS A 71 -10.374 1.929 -15.129 1.00 0.00 C ATOM 573 CD LYS A 71 -10.965 1.963 -13.719 1.00 0.00 C ATOM 574 CE LYS A 71 -12.494 1.889 -13.764 1.00 0.00 C ATOM 575 NZ LYS A 71 -12.952 0.496 -13.560 1.00 0.00 N ATOM 0 H LYS A 71 -6.651 2.127 -14.031 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.682 0.220 -14.519 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.642 2.858 -14.240 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.599 2.801 -15.991 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.885 2.657 -15.759 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.542 0.948 -15.574 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.574 1.129 -13.136 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.656 2.878 -13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.918 2.534 -12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.854 2.259 -14.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.991 0.464 -13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.562 -0.111 -14.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.625 0.155 -12.634 1.00 0.00 H new ATOM 576 N VAL A 72 -6.793 0.992 -17.094 1.00 0.00 N ATOM 577 CA VAL A 72 -6.386 0.542 -18.414 1.00 0.00 C ATOM 578 C VAL A 72 -5.401 -0.620 -18.271 1.00 0.00 C ATOM 579 O VAL A 72 -5.469 -1.592 -19.022 1.00 0.00 O ATOM 580 CB VAL A 72 -5.815 1.715 -19.213 1.00 0.00 C ATOM 581 CG1 VAL A 72 -6.693 2.959 -19.065 1.00 0.00 C ATOM 582 CG2 VAL A 72 -4.372 2.010 -18.798 1.00 0.00 C ATOM 0 H VAL A 72 -6.301 1.818 -16.755 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.245 0.172 -18.973 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.810 1.432 -20.266 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.264 3.778 -19.643 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.696 2.742 -19.432 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.745 3.245 -18.014 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.990 2.848 -19.381 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.343 2.262 -17.738 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.754 1.130 -18.979 1.00 0.00 H new ATOM 583 N HIS A 73 -4.508 -0.481 -17.303 1.00 0.00 N ATOM 584 CA HIS A 73 -3.510 -1.507 -17.051 1.00 0.00 C ATOM 585 C HIS A 73 -4.172 -2.715 -16.385 1.00 0.00 C ATOM 586 O HIS A 73 -3.516 -3.722 -16.123 1.00 0.00 O ATOM 587 CB HIS A 73 -2.345 -0.945 -16.234 1.00 0.00 C ATOM 588 CG HIS A 73 -1.511 0.074 -16.975 1.00 0.00 C ATOM 589 ND1 HIS A 73 -1.695 1.413 -17.159 1.00 0.00 N flip ATOM 590 CD2 HIS A 73 -0.337 -0.252 -17.630 1.00 0.00 C flip ATOM 591 CE1 HIS A 73 -0.688 1.880 -17.885 1.00 0.00 C flip ATOM 592 NE2 HIS A 73 0.156 0.848 -18.179 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.454 0.327 -16.683 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.085 -1.844 -17.996 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -2.738 -0.487 -15.327 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.702 -1.768 -15.923 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.103 -1.237 -17.685 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.557 2.907 -18.193 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.015 0.913 -18.725 1.00 0.00 H new ATOM 593 N LYS A 74 -5.465 -2.574 -16.128 1.00 0.00 N ATOM 594 CA LYS A 74 -6.224 -3.640 -15.498 1.00 0.00 C ATOM 595 C LYS A 74 -5.915 -4.965 -16.200 1.00 0.00 C ATOM 596 O LYS A 74 -6.043 -6.032 -15.603 1.00 0.00 O ATOM 597 CB LYS A 74 -7.713 -3.293 -15.468 1.00 0.00 C ATOM 598 CG LYS A 74 -8.561 -4.541 -15.213 1.00 0.00 C ATOM 599 CD LYS A 74 -9.974 -4.161 -14.762 1.00 0.00 C ATOM 600 CE LYS A 74 -11.022 -4.681 -15.747 1.00 0.00 C ATOM 601 NZ LYS A 74 -11.222 -3.715 -16.850 1.00 0.00 N ATOM 0 H LYS A 74 -6.006 -1.737 -16.345 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.926 -3.754 -14.456 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.903 -2.555 -14.689 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.004 -2.839 -16.415 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.614 -5.141 -16.122 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.086 -5.159 -14.451 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.166 -4.572 -13.771 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.054 -3.077 -14.679 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.704 -5.642 -16.151 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.965 -4.849 -15.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.937 -4.084 -17.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.546 -2.806 -16.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.324 -3.575 -17.356 1.00 0.00 H new ATOM 602 N SER A 75 -5.514 -4.851 -17.458 1.00 0.00 N ATOM 603 CA SER A 75 -5.186 -6.025 -18.248 1.00 0.00 C ATOM 604 C SER A 75 -3.670 -6.227 -18.282 1.00 0.00 C ATOM 605 O SER A 75 -3.192 -7.339 -18.499 1.00 0.00 O ATOM 606 CB SER A 75 -5.739 -5.905 -19.670 1.00 0.00 C ATOM 607 OG SER A 75 -6.782 -6.844 -19.918 1.00 0.00 O ATOM 0 H SER A 75 -5.409 -3.963 -17.949 1.00 0.00 H new ATOM 0 HA SER A 75 -5.650 -6.893 -17.779 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.116 -4.894 -19.828 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.933 -6.061 -20.387 1.00 0.00 H new ATOM 0 HG SER A 75 -7.110 -6.734 -20.835 1.00 0.00 H new ATOM 608 N HIS A 76 -2.955 -5.132 -18.064 1.00 0.00 N ATOM 609 CA HIS A 76 -1.503 -5.174 -18.068 1.00 0.00 C ATOM 610 C HIS A 76 -1.007 -5.882 -16.805 1.00 0.00 C ATOM 611 O HIS A 76 0.020 -6.559 -16.831 1.00 0.00 O ATOM 612 CB HIS A 76 -0.919 -3.769 -18.228 1.00 0.00 C ATOM 613 CG HIS A 76 -1.435 -3.024 -19.435 1.00 0.00 C ATOM 614 ND1 HIS A 76 -2.677 -2.990 -19.999 1.00 0.00 N flip ATOM 615 CD2 HIS A 76 -0.635 -2.197 -20.204 1.00 0.00 C flip ATOM 616 CE1 HIS A 76 -2.638 -2.186 -21.054 1.00 0.00 C flip ATOM 617 NE2 HIS A 76 -1.373 -1.693 -21.183 1.00 0.00 N flip ATOM 0 H HIS A 76 -3.355 -4.211 -17.884 1.00 0.00 H new ATOM 0 HA HIS A 76 -1.155 -5.749 -18.926 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.143 -3.189 -17.333 1.00 0.00 H new ATOM 0 HB3 HIS A 76 0.166 -3.843 -18.296 1.00 0.00 H new ATOM 0 HD2 HIS A 76 0.413 -1.996 -20.035 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.471 -1.959 -21.703 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.051 -1.049 -21.906 1.00 0.00 H new ATOM 618 N ILE A 77 -1.759 -5.700 -15.729 1.00 0.00 N ATOM 619 CA ILE A 77 -1.409 -6.313 -14.459 1.00 0.00 C ATOM 620 C ILE A 77 -1.678 -7.817 -14.531 1.00 0.00 C ATOM 621 O ILE A 77 -2.524 -8.263 -15.307 1.00 0.00 O ATOM 622 CB ILE A 77 -2.134 -5.612 -13.309 1.00 0.00 C ATOM 623 CG1 ILE A 77 -1.420 -4.317 -12.919 1.00 0.00 C ATOM 624 CG2 ILE A 77 -2.305 -6.554 -12.114 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.208 -3.419 -14.139 1.00 0.00 C ATOM 0 H ILE A 77 -2.609 -5.137 -15.711 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.345 -6.190 -14.257 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.132 -5.339 -13.650 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.007 -3.786 -12.169 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.458 -4.551 -12.464 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.823 -6.031 -11.310 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.888 -7.424 -12.417 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.325 -6.879 -11.763 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.698 -2.505 -13.834 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.601 -3.944 -14.876 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.174 -3.167 -14.577 1.00 0.00 H new ATOM 626 N LEU A 78 -0.945 -8.557 -13.714 1.00 0.00 N ATOM 627 CA LEU A 78 -1.095 -10.003 -13.675 1.00 0.00 C ATOM 628 C LEU A 78 -1.040 -10.478 -12.222 1.00 0.00 C ATOM 629 O LEU A 78 -0.542 -9.767 -11.351 1.00 0.00 O ATOM 630 CB LEU A 78 -0.061 -10.672 -14.582 1.00 0.00 C ATOM 631 CG LEU A 78 1.277 -9.945 -14.726 1.00 0.00 C ATOM 632 CD1 LEU A 78 1.072 -8.522 -15.250 1.00 0.00 C ATOM 633 CD2 LEU A 78 2.056 -9.964 -13.409 1.00 0.00 C ATOM 0 H LEU A 78 -0.245 -8.183 -13.073 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.068 -10.297 -14.069 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.132 -11.675 -14.201 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.498 -10.787 -15.574 1.00 0.00 H new ATOM 0 HG LEU A 78 1.878 -10.477 -15.463 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.038 -8.026 -15.344 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.587 -8.560 -16.226 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.444 -7.965 -14.554 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.003 -9.441 -13.539 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.471 -9.469 -12.633 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.249 -10.996 -13.115 1.00 0.00 H new ATOM 634 N ALA A 79 -1.560 -11.678 -12.006 1.00 0.00 N ATOM 635 CA ALA A 79 -1.576 -12.257 -10.673 1.00 0.00 C ATOM 636 C ALA A 79 -0.183 -12.136 -10.052 1.00 0.00 C ATOM 637 O ALA A 79 0.823 -12.222 -10.755 1.00 0.00 O ATOM 638 CB ALA A 79 -2.056 -13.707 -10.752 1.00 0.00 C ATOM 0 H ALA A 79 -1.973 -12.265 -12.731 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.271 -11.719 -10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.068 -14.141 -9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.061 -13.735 -11.172 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.381 -14.280 -11.388 1.00 0.00 H new ATOM 639 N LYS A 80 -0.169 -11.938 -8.741 1.00 0.00 N ATOM 640 CA LYS A 80 1.084 -11.805 -8.019 1.00 0.00 C ATOM 641 C LYS A 80 0.843 -11.016 -6.730 1.00 0.00 C ATOM 642 O LYS A 80 0.244 -11.531 -5.786 1.00 0.00 O ATOM 643 CB LYS A 80 2.160 -11.195 -8.919 1.00 0.00 C ATOM 644 CG LYS A 80 3.026 -12.286 -9.553 1.00 0.00 C ATOM 645 CD LYS A 80 3.573 -11.834 -10.909 1.00 0.00 C ATOM 646 CE LYS A 80 4.385 -12.949 -11.572 1.00 0.00 C ATOM 647 NZ LYS A 80 5.066 -12.442 -12.784 1.00 0.00 N ATOM 0 H LYS A 80 -1.005 -11.867 -8.161 1.00 0.00 H new ATOM 0 HA LYS A 80 1.462 -12.786 -7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.690 -10.598 -9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.787 -10.520 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.853 -12.532 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.438 -13.195 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.748 -11.544 -11.560 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.200 -10.952 -10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.122 -13.338 -10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.728 -13.778 -11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.613 -13.211 -13.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.357 -12.092 -13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.708 -11.666 -12.523 1.00 0.00 H new ATOM 648 N ASP A 81 1.320 -9.780 -6.732 1.00 0.00 N ATOM 649 CA ASP A 81 1.163 -8.916 -5.575 1.00 0.00 C ATOM 650 C ASP A 81 1.596 -7.494 -5.942 1.00 0.00 C ATOM 651 O ASP A 81 2.782 -7.170 -5.891 1.00 0.00 O ATOM 652 CB ASP A 81 2.036 -9.390 -4.411 1.00 0.00 C ATOM 653 CG ASP A 81 1.278 -9.708 -3.121 1.00 0.00 C ATOM 654 OD1 ASP A 81 0.233 -9.058 -2.901 1.00 0.00 O ATOM 655 OD2 ASP A 81 1.760 -10.594 -2.383 1.00 0.00 O ATOM 0 H ASP A 81 1.815 -9.356 -7.517 1.00 0.00 H new ATOM 0 HA ASP A 81 0.116 -8.942 -5.275 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.580 -10.281 -4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.779 -8.622 -4.198 1.00 0.00 H new ATOM 656 N ILE A 82 0.611 -6.686 -6.304 1.00 0.00 N ATOM 657 CA ILE A 82 0.876 -5.307 -6.680 1.00 0.00 C ATOM 658 C ILE A 82 0.260 -4.372 -5.637 1.00 0.00 C ATOM 659 O ILE A 82 -0.904 -4.523 -5.273 1.00 0.00 O ATOM 660 CB ILE A 82 0.392 -5.039 -8.107 1.00 0.00 C ATOM 661 CG1 ILE A 82 0.191 -3.542 -8.346 1.00 0.00 C ATOM 662 CG2 ILE A 82 -0.871 -5.844 -8.419 1.00 0.00 C ATOM 663 CD1 ILE A 82 -1.233 -3.116 -7.984 1.00 0.00 C ATOM 0 H ILE A 82 -0.371 -6.959 -6.345 1.00 0.00 H new ATOM 0 HA ILE A 82 1.949 -5.114 -6.689 1.00 0.00 H new ATOM 0 HB ILE A 82 1.166 -5.374 -8.798 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.907 -2.976 -7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.390 -3.307 -9.392 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.193 -5.635 -9.439 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.659 -6.908 -8.317 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.662 -5.563 -7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.350 -2.047 -8.163 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.945 -3.667 -8.599 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.420 -3.330 -6.932 1.00 0.00 H new ATOM 664 N ILE A 83 1.072 -3.427 -5.186 1.00 0.00 N ATOM 665 CA ILE A 83 0.622 -2.467 -4.192 1.00 0.00 C ATOM 666 C ILE A 83 1.396 -1.159 -4.365 1.00 0.00 C ATOM 667 O ILE A 83 2.596 -1.104 -4.097 1.00 0.00 O ATOM 668 CB ILE A 83 0.726 -3.062 -2.786 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.382 -4.554 -2.796 1.00 0.00 C ATOM 670 CG2 ILE A 83 -0.137 -2.282 -1.795 1.00 0.00 C ATOM 671 CD1 ILE A 83 0.581 -5.170 -1.410 1.00 0.00 C ATOM 0 H ILE A 83 2.038 -3.306 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.433 -2.235 -4.337 1.00 0.00 H new ATOM 0 HB ILE A 83 1.760 -2.971 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.652 -4.691 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.010 -5.071 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.044 -2.726 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.196 -1.245 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.179 -2.318 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.330 -6.230 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.621 -5.053 -1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.066 -4.667 -0.692 1.00 0.00 H new ATOM 672 N VAL A 84 0.680 -0.138 -4.812 1.00 0.00 N ATOM 673 CA VAL A 84 1.286 1.165 -5.023 1.00 0.00 C ATOM 674 C VAL A 84 0.957 2.075 -3.837 1.00 0.00 C ATOM 675 O VAL A 84 -0.212 2.273 -3.507 1.00 0.00 O ATOM 676 CB VAL A 84 0.828 1.743 -6.363 1.00 0.00 C ATOM 677 CG1 VAL A 84 1.042 0.737 -7.496 1.00 0.00 C ATOM 678 CG2 VAL A 84 -0.633 2.192 -6.298 1.00 0.00 C ATOM 0 H VAL A 84 -0.314 -0.187 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 84 2.371 1.077 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 84 1.438 2.621 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.708 1.173 -8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.101 0.488 -7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.470 -0.168 -7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.932 2.599 -7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.265 1.339 -6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.744 2.959 -5.531 1.00 0.00 H new ATOM 679 N ILE A 85 2.008 2.603 -3.227 1.00 0.00 N ATOM 680 CA ILE A 85 1.847 3.486 -2.085 1.00 0.00 C ATOM 681 C ILE A 85 2.323 4.890 -2.460 1.00 0.00 C ATOM 682 O ILE A 85 3.165 5.048 -3.343 1.00 0.00 O ATOM 683 CB ILE A 85 2.548 2.905 -0.856 1.00 0.00 C ATOM 684 CG1 ILE A 85 2.887 1.428 -1.063 1.00 0.00 C ATOM 685 CG2 ILE A 85 1.714 3.130 0.408 1.00 0.00 C ATOM 686 CD1 ILE A 85 1.671 0.654 -1.579 1.00 0.00 C ATOM 0 H ILE A 85 2.976 2.436 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 85 0.795 3.569 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 85 3.491 3.435 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.709 1.336 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.227 0.994 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.235 2.708 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.568 4.199 0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.745 2.644 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.939 -0.393 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.859 0.728 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.349 1.075 -2.531 1.00 0.00 H new ATOM 687 N ALA A 86 1.765 5.874 -1.770 1.00 0.00 N ATOM 688 CA ALA A 86 2.123 7.260 -2.020 1.00 0.00 C ATOM 689 C ALA A 86 3.303 7.646 -1.127 1.00 0.00 C ATOM 690 O ALA A 86 3.117 7.994 0.038 1.00 0.00 O ATOM 691 CB ALA A 86 0.901 8.153 -1.790 1.00 0.00 C ATOM 0 H ALA A 86 1.068 5.739 -1.038 1.00 0.00 H new ATOM 0 HA ALA A 86 2.435 7.395 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.170 9.193 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.101 7.857 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.561 8.046 -0.760 1.00 0.00 H new ATOM 692 N ARG A 87 4.492 7.571 -1.706 1.00 0.00 N ATOM 693 CA ARG A 87 5.703 7.908 -0.977 1.00 0.00 C ATOM 694 C ARG A 87 5.417 9.010 0.046 1.00 0.00 C ATOM 695 O ARG A 87 5.438 8.764 1.251 1.00 0.00 O ATOM 696 CB ARG A 87 6.806 8.378 -1.928 1.00 0.00 C ATOM 697 CG ARG A 87 8.043 8.831 -1.151 1.00 0.00 C ATOM 698 CD ARG A 87 9.117 7.741 -1.144 1.00 0.00 C ATOM 699 NE ARG A 87 10.260 8.151 -1.991 1.00 0.00 N ATOM 700 CZ ARG A 87 11.393 7.448 -2.114 1.00 0.00 C ATOM 0 H ARG A 87 4.643 7.282 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 87 6.042 7.009 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.075 7.569 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.436 9.200 -2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.445 9.740 -1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.763 9.077 -0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.456 7.560 -0.124 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.699 6.804 -1.512 1.00 0.00 H new ATOM 0 HE ARG A 87 10.179 9.023 -2.513 1.00 0.00 H new ATOM 701 N GLN A 88 5.157 10.201 -0.473 1.00 0.00 N ATOM 702 CA GLN A 88 4.867 11.341 0.380 1.00 0.00 C ATOM 703 C GLN A 88 4.898 12.636 -0.436 1.00 0.00 C ATOM 704 O GLN A 88 3.968 13.438 -0.369 1.00 0.00 O ATOM 705 CB GLN A 88 5.845 11.410 1.555 1.00 0.00 C ATOM 706 CG GLN A 88 5.114 11.237 2.887 1.00 0.00 C ATOM 707 CD GLN A 88 6.085 11.356 4.064 1.00 0.00 C ATOM 708 OE1 GLN A 88 6.556 12.428 4.408 1.00 0.00 O ATOM 709 NE2 GLN A 88 6.356 10.199 4.661 1.00 0.00 N ATOM 0 H GLN A 88 5.141 10.401 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 88 3.865 11.217 0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.603 10.634 1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.366 12.367 1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.332 11.991 2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.623 10.264 2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.927 9.338 4.322 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.992 10.173 5.458 1.00 0.00 H new ATOM 710 N PRO A 89 6.006 12.803 -1.206 1.00 0.00 N ATOM 711 CA PRO A 89 6.171 13.986 -2.034 1.00 0.00 C ATOM 712 C PRO A 89 5.276 13.916 -3.274 1.00 0.00 C ATOM 713 O PRO A 89 5.368 14.767 -4.158 1.00 0.00 O ATOM 714 CB PRO A 89 7.651 14.027 -2.373 1.00 0.00 C ATOM 715 CG PRO A 89 8.177 12.624 -2.114 1.00 0.00 C ATOM 716 CD PRO A 89 7.127 11.874 -1.311 1.00 0.00 C ATOM 0 HA PRO A 89 5.868 14.901 -1.525 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.806 14.316 -3.412 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.173 14.760 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.376 12.111 -3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.119 12.664 -1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.831 10.951 -1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.505 11.597 -0.327 1.00 0.00 H new ATOM 717 N ALA A 90 4.431 12.896 -3.298 1.00 0.00 N ATOM 718 CA ALA A 90 3.520 12.705 -4.414 1.00 0.00 C ATOM 719 C ALA A 90 2.257 13.538 -4.184 1.00 0.00 C ATOM 720 O ALA A 90 1.320 13.481 -4.979 1.00 0.00 O ATOM 721 CB ALA A 90 3.214 11.214 -4.574 1.00 0.00 C ATOM 0 H ALA A 90 4.358 12.193 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 90 3.975 13.046 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.531 11.071 -5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.140 10.671 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.753 10.837 -3.661 1.00 0.00 H new ATOM 722 N LYS A 91 2.273 14.291 -3.095 1.00 0.00 N ATOM 723 CA LYS A 91 1.141 15.135 -2.751 1.00 0.00 C ATOM 724 C LYS A 91 1.092 16.329 -3.706 1.00 0.00 C ATOM 725 O LYS A 91 0.015 16.838 -4.014 1.00 0.00 O ATOM 726 CB LYS A 91 1.196 15.530 -1.274 1.00 0.00 C ATOM 727 CG LYS A 91 1.704 16.964 -1.109 1.00 0.00 C ATOM 728 CD LYS A 91 3.206 17.050 -1.388 1.00 0.00 C ATOM 729 CE LYS A 91 3.929 17.803 -0.270 1.00 0.00 C ATOM 730 NZ LYS A 91 4.524 19.055 -0.788 1.00 0.00 N ATOM 0 H LYS A 91 3.052 14.335 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 91 0.206 14.588 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.204 15.439 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.849 14.844 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.166 17.625 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.498 17.312 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.620 16.046 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.374 17.555 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.229 18.032 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.709 17.172 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.011 19.553 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.207 18.830 -1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.773 19.663 -1.173 1.00 0.00 H new ATOM 731 N ASP A 92 2.271 16.742 -4.148 1.00 0.00 N ATOM 732 CA ASP A 92 2.375 17.868 -5.061 1.00 0.00 C ATOM 733 C ASP A 92 2.146 17.380 -6.493 1.00 0.00 C ATOM 734 O ASP A 92 1.894 18.180 -7.393 1.00 0.00 O ATOM 735 CB ASP A 92 3.766 18.503 -4.996 1.00 0.00 C ATOM 736 CG ASP A 92 3.841 19.814 -4.212 1.00 0.00 C ATOM 737 OD1 ASP A 92 2.762 20.298 -3.809 1.00 0.00 O ATOM 738 OD2 ASP A 92 4.978 20.304 -4.034 1.00 0.00 O ATOM 0 H ASP A 92 3.162 16.317 -3.891 1.00 0.00 H new ATOM 0 HA ASP A 92 1.627 18.606 -4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.455 17.788 -4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.114 18.685 -6.013 1.00 0.00 H new ATOM 739 N MET A 93 2.240 16.068 -6.660 1.00 0.00 N ATOM 740 CA MET A 93 2.046 15.464 -7.967 1.00 0.00 C ATOM 741 C MET A 93 0.662 15.801 -8.526 1.00 0.00 C ATOM 742 O MET A 93 -0.140 16.454 -7.858 1.00 0.00 O ATOM 743 CB MET A 93 2.195 13.946 -7.855 1.00 0.00 C ATOM 744 CG MET A 93 3.276 13.431 -8.808 1.00 0.00 C ATOM 745 SD MET A 93 3.047 11.684 -9.103 1.00 0.00 S ATOM 746 CE MET A 93 2.119 11.243 -7.644 1.00 0.00 C ATOM 0 H MET A 93 2.448 15.407 -5.911 1.00 0.00 H new ATOM 0 HA MET A 93 2.799 15.863 -8.646 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.450 13.676 -6.830 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.244 13.465 -8.084 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.232 13.976 -9.751 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.263 13.610 -8.382 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.306 10.198 -7.396 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.428 11.875 -6.811 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.055 11.386 -7.833 1.00 0.00 H new ATOM 747 N THR A 94 0.423 15.340 -9.746 1.00 0.00 N ATOM 748 CA THR A 94 -0.850 15.585 -10.401 1.00 0.00 C ATOM 749 C THR A 94 -1.507 14.262 -10.800 1.00 0.00 C ATOM 750 O THR A 94 -0.862 13.214 -10.781 1.00 0.00 O ATOM 751 CB THR A 94 -0.600 16.520 -11.586 1.00 0.00 C ATOM 752 OG1 THR A 94 0.258 15.772 -12.445 1.00 0.00 O ATOM 753 CG2 THR A 94 0.236 17.743 -11.201 1.00 0.00 C ATOM 0 H THR A 94 1.089 14.799 -10.297 1.00 0.00 H new ATOM 0 HA THR A 94 -1.554 16.072 -9.727 1.00 0.00 H new ATOM 0 HB THR A 94 -1.555 16.847 -11.997 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.469 16.304 -13.241 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.384 18.373 -12.078 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.284 18.311 -10.430 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.204 17.417 -10.821 1.00 0.00 H new ATOM 754 N THR A 95 -2.780 14.352 -11.152 1.00 0.00 N ATOM 755 CA THR A 95 -3.532 13.176 -11.555 1.00 0.00 C ATOM 756 C THR A 95 -2.955 12.591 -12.845 1.00 0.00 C ATOM 757 O THR A 95 -3.349 11.506 -13.271 1.00 0.00 O ATOM 758 CB THR A 95 -5.005 13.573 -11.674 1.00 0.00 C ATOM 759 OG1 THR A 95 -5.537 13.322 -10.376 1.00 0.00 O ATOM 760 CG2 THR A 95 -5.793 12.632 -12.589 1.00 0.00 C ATOM 0 H THR A 95 -3.311 15.223 -11.167 1.00 0.00 H new ATOM 0 HA THR A 95 -3.454 12.383 -10.811 1.00 0.00 H new ATOM 0 HB THR A 95 -5.077 14.592 -12.053 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.725 12.365 -10.279 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.832 12.958 -12.639 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.359 12.649 -13.589 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.750 11.618 -12.192 1.00 0.00 H new ATOM 761 N LEU A 96 -2.028 13.335 -13.432 1.00 0.00 N ATOM 762 CA LEU A 96 -1.392 12.903 -14.665 1.00 0.00 C ATOM 763 C LEU A 96 -0.041 12.265 -14.341 1.00 0.00 C ATOM 764 O LEU A 96 0.297 11.211 -14.877 1.00 0.00 O ATOM 765 CB LEU A 96 -1.302 14.065 -15.657 1.00 0.00 C ATOM 766 CG LEU A 96 -0.943 13.691 -17.097 1.00 0.00 C ATOM 767 CD1 LEU A 96 0.571 13.718 -17.310 1.00 0.00 C ATOM 768 CD2 LEU A 96 -1.553 12.341 -17.481 1.00 0.00 C ATOM 0 H LEU A 96 -1.703 14.234 -13.076 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.995 12.140 -15.157 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.260 14.584 -15.666 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.559 14.773 -15.290 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.374 14.440 -17.762 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.798 13.448 -18.341 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.949 14.719 -17.105 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.046 13.005 -16.636 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.283 12.099 -18.509 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.173 11.567 -16.814 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.638 12.394 -17.394 1.00 0.00 H new ATOM 769 N GLN A 97 0.698 12.932 -13.465 1.00 0.00 N ATOM 770 CA GLN A 97 2.006 12.443 -13.063 1.00 0.00 C ATOM 771 C GLN A 97 1.924 10.965 -12.675 1.00 0.00 C ATOM 772 O GLN A 97 2.798 10.177 -13.031 1.00 0.00 O ATOM 773 CB GLN A 97 2.574 13.280 -11.915 1.00 0.00 C ATOM 774 CG GLN A 97 2.844 14.717 -12.367 1.00 0.00 C ATOM 775 CD GLN A 97 4.337 15.044 -12.293 1.00 0.00 C ATOM 776 OE1 GLN A 97 4.799 15.767 -11.426 1.00 0.00 O ATOM 777 NE2 GLN A 97 5.065 14.471 -13.248 1.00 0.00 N ATOM 0 H GLN A 97 0.415 13.807 -13.023 1.00 0.00 H new ATOM 0 HA GLN A 97 2.685 12.539 -13.910 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.873 13.283 -11.080 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.498 12.829 -11.553 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.488 14.854 -13.388 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.285 15.411 -11.739 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.616 13.876 -13.944 1.00 0.00 H new ATOM 0 HE22 GLN A 97 6.072 14.626 -13.284 1.00 0.00 H new ATOM 778 N ILE A 98 0.864 10.634 -11.951 1.00 0.00 N ATOM 779 CA ILE A 98 0.658 9.265 -11.511 1.00 0.00 C ATOM 780 C ILE A 98 1.049 8.307 -12.638 1.00 0.00 C ATOM 781 O ILE A 98 1.943 7.479 -12.470 1.00 0.00 O ATOM 782 CB ILE A 98 -0.776 9.073 -11.012 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.916 9.530 -9.558 1.00 0.00 C ATOM 784 CG2 ILE A 98 -1.236 7.627 -11.205 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.404 10.979 -9.483 1.00 0.00 C ATOM 0 H ILE A 98 0.140 11.290 -11.659 1.00 0.00 H new ATOM 0 HA ILE A 98 1.301 9.038 -10.661 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.433 9.702 -11.613 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.616 8.879 -9.034 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.044 9.439 -9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.258 7.519 -10.842 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.198 7.371 -12.264 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.580 6.959 -10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.495 11.279 -8.439 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.689 11.630 -9.987 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.376 11.061 -9.970 1.00 0.00 H new ATOM 786 N GLN A 99 0.360 8.452 -13.760 1.00 0.00 N ATOM 787 CA GLN A 99 0.625 7.609 -14.914 1.00 0.00 C ATOM 788 C GLN A 99 2.107 7.671 -15.289 1.00 0.00 C ATOM 789 O GLN A 99 2.689 6.669 -15.700 1.00 0.00 O ATOM 790 CB GLN A 99 -0.258 8.010 -16.100 1.00 0.00 C ATOM 791 CG GLN A 99 -1.740 7.924 -15.733 1.00 0.00 C ATOM 792 CD GLN A 99 -2.510 9.127 -16.281 1.00 0.00 C ATOM 793 OE1 GLN A 99 -2.876 10.005 -15.351 1.00 0.00 O flip ATOM 794 NE2 GLN A 99 -2.757 9.250 -17.470 1.00 0.00 N flip ATOM 0 H GLN A 99 -0.381 9.140 -13.895 1.00 0.00 H new ATOM 0 HA GLN A 99 0.380 6.580 -14.651 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.015 9.026 -16.412 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.051 7.358 -16.949 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.165 7.003 -16.132 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.848 7.881 -14.649 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.447 8.538 -18.132 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.274 10.064 -17.802 1.00 0.00 H new ATOM 795 N ASN A 100 2.675 8.859 -15.131 1.00 0.00 N ATOM 796 CA ASN A 100 4.078 9.064 -15.447 1.00 0.00 C ATOM 797 C ASN A 100 4.940 8.303 -14.438 1.00 0.00 C ATOM 798 O ASN A 100 6.012 7.807 -14.782 1.00 0.00 O ATOM 799 CB ASN A 100 4.450 10.546 -15.364 1.00 0.00 C ATOM 800 CG ASN A 100 4.669 11.135 -16.759 1.00 0.00 C ATOM 801 OD1 ASN A 100 5.356 10.575 -17.597 1.00 0.00 O ATOM 802 ND2 ASN A 100 4.047 12.294 -16.960 1.00 0.00 N ATOM 0 H ASN A 100 2.189 9.688 -14.789 1.00 0.00 H new ATOM 0 HA ASN A 100 4.251 8.705 -16.461 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.659 11.095 -14.854 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.355 10.665 -14.769 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.130 12.768 -17.859 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.487 12.708 -16.215 1.00 0.00 H new ATOM 803 N SER A 101 4.441 8.235 -13.213 1.00 0.00 N ATOM 804 CA SER A 101 5.152 7.542 -12.152 1.00 0.00 C ATOM 805 C SER A 101 5.099 6.031 -12.385 1.00 0.00 C ATOM 806 O SER A 101 6.132 5.365 -12.402 1.00 0.00 O ATOM 807 CB SER A 101 4.568 7.888 -10.781 1.00 0.00 C ATOM 808 OG SER A 101 5.255 8.976 -10.167 1.00 0.00 O ATOM 0 H SER A 101 3.552 8.649 -12.931 1.00 0.00 H new ATOM 0 HA SER A 101 6.192 7.869 -12.168 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.513 8.140 -10.889 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.622 7.013 -10.133 1.00 0.00 H new ATOM 0 HG SER A 101 4.608 9.659 -9.893 1.00 0.00 H new ATOM 809 N LEU A 102 3.883 5.534 -12.561 1.00 0.00 N ATOM 810 CA LEU A 102 3.682 4.114 -12.792 1.00 0.00 C ATOM 811 C LEU A 102 4.542 3.668 -13.977 1.00 0.00 C ATOM 812 O LEU A 102 4.826 2.481 -14.130 1.00 0.00 O ATOM 813 CB LEU A 102 2.193 3.805 -12.962 1.00 0.00 C ATOM 814 CG LEU A 102 1.380 3.690 -11.671 1.00 0.00 C ATOM 815 CD1 LEU A 102 0.401 4.857 -11.534 1.00 0.00 C ATOM 816 CD2 LEU A 102 0.674 2.335 -11.586 1.00 0.00 C ATOM 0 H LEU A 102 3.028 6.090 -12.548 1.00 0.00 H new ATOM 0 HA LEU A 102 4.007 3.537 -11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.749 4.586 -13.579 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.097 2.869 -13.513 1.00 0.00 H new ATOM 0 HG LEU A 102 2.068 3.747 -10.828 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.164 4.751 -10.608 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.954 5.796 -11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.286 4.857 -12.380 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.103 2.280 -10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.001 2.222 -12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.416 1.537 -11.604 1.00 0.00 H new ATOM 817 N GLU A 103 4.931 4.643 -14.785 1.00 0.00 N ATOM 818 CA GLU A 103 5.752 4.366 -15.951 1.00 0.00 C ATOM 819 C GLU A 103 7.175 4.003 -15.524 1.00 0.00 C ATOM 820 O GLU A 103 8.017 3.686 -16.363 1.00 0.00 O ATOM 821 CB GLU A 103 5.755 5.555 -16.915 1.00 0.00 C ATOM 822 CG GLU A 103 4.863 5.280 -18.127 1.00 0.00 C ATOM 823 CD GLU A 103 5.704 5.042 -19.383 1.00 0.00 C ATOM 824 OE1 GLU A 103 6.317 3.955 -19.458 1.00 0.00 O ATOM 825 OE2 GLU A 103 5.716 5.952 -20.240 1.00 0.00 O ATOM 0 H GLU A 103 4.693 5.626 -14.655 1.00 0.00 H new ATOM 0 HA GLU A 103 5.323 3.514 -16.479 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.406 6.448 -16.397 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.774 5.756 -17.247 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.238 4.408 -17.933 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.192 6.124 -18.288 1.00 0.00 H new ATOM 826 N HIS A 104 7.400 4.063 -14.219 1.00 0.00 N ATOM 827 CA HIS A 104 8.708 3.745 -13.671 1.00 0.00 C ATOM 828 C HIS A 104 8.543 2.858 -12.435 1.00 0.00 C ATOM 829 O HIS A 104 8.796 1.655 -12.491 1.00 0.00 O ATOM 830 CB HIS A 104 9.502 5.020 -13.384 1.00 0.00 C ATOM 831 CG HIS A 104 10.787 4.786 -12.626 1.00 0.00 C ATOM 832 ND1 HIS A 104 11.077 3.927 -11.606 1.00 0.00 N flip ATOM 833 CD2 HIS A 104 11.953 5.482 -12.894 1.00 0.00 C flip ATOM 834 CE1 HIS A 104 12.351 4.089 -11.271 1.00 0.00 C flip ATOM 835 NE2 HIS A 104 12.895 5.053 -12.067 1.00 0.00 N flip ATOM 0 H HIS A 104 6.699 4.327 -13.526 1.00 0.00 H new ATOM 0 HA HIS A 104 9.287 3.184 -14.404 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.734 5.512 -14.329 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.875 5.705 -12.813 1.00 0.00 H new ATOM 0 HD2 HIS A 104 12.074 6.245 -13.649 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.871 3.546 -10.495 1.00 0.00 H new ATOM 0 HE2 HIS A 104 13.859 5.386 -12.032 1.00 0.00 H new ATOM 836 N VAL A 105 8.122 3.486 -11.347 1.00 0.00 N ATOM 837 CA VAL A 105 7.920 2.769 -10.100 1.00 0.00 C ATOM 838 C VAL A 105 7.335 1.387 -10.399 1.00 0.00 C ATOM 839 O VAL A 105 7.870 0.373 -9.954 1.00 0.00 O ATOM 840 CB VAL A 105 7.046 3.597 -9.156 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.571 3.504 -9.551 1.00 0.00 C ATOM 842 CG2 VAL A 105 7.252 3.168 -7.702 1.00 0.00 C ATOM 0 H VAL A 105 7.915 4.484 -11.303 1.00 0.00 H new ATOM 0 HA VAL A 105 8.871 2.615 -9.590 1.00 0.00 H new ATOM 0 HB VAL A 105 7.351 4.640 -9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.972 4.102 -8.864 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.442 3.880 -10.566 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.247 2.464 -9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.619 3.772 -7.051 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.987 2.117 -7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.297 3.310 -7.425 1.00 0.00 H new ATOM 843 N LEU A 106 6.245 1.392 -11.152 1.00 0.00 N ATOM 844 CA LEU A 106 5.581 0.152 -11.516 1.00 0.00 C ATOM 845 C LEU A 106 6.465 -0.628 -12.492 1.00 0.00 C ATOM 846 O LEU A 106 6.633 -1.838 -12.353 1.00 0.00 O ATOM 847 CB LEU A 106 4.175 0.433 -12.050 1.00 0.00 C ATOM 848 CG LEU A 106 3.819 -0.229 -13.382 1.00 0.00 C ATOM 849 CD1 LEU A 106 4.164 -1.719 -13.363 1.00 0.00 C ATOM 850 CD2 LEU A 106 2.352 0.014 -13.740 1.00 0.00 C ATOM 0 H LEU A 106 5.805 2.235 -11.520 1.00 0.00 H new ATOM 0 HA LEU A 106 5.443 -0.478 -10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.452 0.109 -11.301 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.058 1.511 -12.160 1.00 0.00 H new ATOM 0 HG LEU A 106 4.422 0.232 -14.164 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.901 -2.166 -14.322 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.232 -1.843 -13.186 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.605 -2.212 -12.568 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.125 -0.467 -14.691 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.714 -0.403 -12.961 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.170 1.086 -13.823 1.00 0.00 H new ATOM 851 N LYS A 107 7.008 0.099 -13.459 1.00 0.00 N ATOM 852 CA LYS A 107 7.870 -0.508 -14.456 1.00 0.00 C ATOM 853 C LYS A 107 8.956 -1.327 -13.756 1.00 0.00 C ATOM 854 O LYS A 107 9.539 -2.231 -14.353 1.00 0.00 O ATOM 855 CB LYS A 107 8.420 0.555 -15.409 1.00 0.00 C ATOM 856 CG LYS A 107 9.306 -0.076 -16.485 1.00 0.00 C ATOM 857 CD LYS A 107 8.760 0.215 -17.885 1.00 0.00 C ATOM 858 CE LYS A 107 9.701 -0.325 -18.963 1.00 0.00 C ATOM 859 NZ LYS A 107 9.974 0.715 -19.980 1.00 0.00 N ATOM 0 H LYS A 107 6.867 1.103 -13.572 1.00 0.00 H new ATOM 0 HA LYS A 107 7.302 -1.198 -15.080 1.00 0.00 H new ATOM 0 HB2 LYS A 107 7.594 1.088 -15.880 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.994 1.291 -14.846 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.321 0.312 -16.399 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.362 -1.153 -16.329 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.775 -0.238 -17.997 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.633 1.290 -18.013 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.636 -0.651 -18.508 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.256 -1.199 -19.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.614 0.332 -20.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.081 1.007 -20.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.419 1.538 -19.525 1.00 0.00 H new ATOM 860 N ILE A 108 9.197 -0.979 -12.500 1.00 0.00 N ATOM 861 CA ILE A 108 10.203 -1.671 -11.712 1.00 0.00 C ATOM 862 C ILE A 108 9.549 -2.837 -10.968 1.00 0.00 C ATOM 863 O ILE A 108 10.094 -3.939 -10.933 1.00 0.00 O ATOM 864 CB ILE A 108 10.934 -0.689 -10.795 1.00 0.00 C ATOM 865 CG1 ILE A 108 11.559 0.452 -11.600 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.967 -1.411 -9.929 1.00 0.00 C ATOM 867 CD1 ILE A 108 12.712 1.099 -10.830 1.00 0.00 C ATOM 0 H ILE A 108 8.713 -0.227 -12.009 1.00 0.00 H new ATOM 0 HA ILE A 108 10.969 -2.096 -12.361 1.00 0.00 H new ATOM 0 HB ILE A 108 10.203 -0.245 -10.120 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.923 0.072 -12.555 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.800 1.202 -11.824 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.472 -0.689 -9.287 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.467 -2.158 -9.312 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.700 -1.901 -10.570 1.00 0.00 H new ATOM 0 HD11 ILE A 108 13.139 1.907 -11.425 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.340 1.500 -9.887 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.480 0.352 -10.629 1.00 0.00 H new ATOM 868 N ALA A 109 8.392 -2.554 -10.390 1.00 0.00 N ATOM 869 CA ALA A 109 7.658 -3.565 -9.650 1.00 0.00 C ATOM 870 C ALA A 109 7.488 -4.809 -10.523 1.00 0.00 C ATOM 871 O ALA A 109 7.624 -5.933 -10.042 1.00 0.00 O ATOM 872 CB ALA A 109 6.317 -2.989 -9.189 1.00 0.00 C ATOM 0 H ALA A 109 7.944 -1.638 -10.419 1.00 0.00 H new ATOM 0 HA ALA A 109 8.210 -3.862 -8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.766 -3.748 -8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.493 -2.126 -8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.735 -2.682 -10.058 1.00 0.00 H new ATOM 873 N LYS A 110 7.193 -4.567 -11.792 1.00 0.00 N ATOM 874 CA LYS A 110 7.003 -5.653 -12.738 1.00 0.00 C ATOM 875 C LYS A 110 5.587 -6.213 -12.588 1.00 0.00 C ATOM 876 O LYS A 110 5.365 -7.407 -12.779 1.00 0.00 O ATOM 877 CB LYS A 110 8.102 -6.706 -12.572 1.00 0.00 C ATOM 878 CG LYS A 110 8.213 -7.582 -13.820 1.00 0.00 C ATOM 879 CD LYS A 110 9.306 -8.639 -13.652 1.00 0.00 C ATOM 880 CE LYS A 110 9.106 -9.797 -14.633 1.00 0.00 C ATOM 881 NZ LYS A 110 10.408 -10.400 -14.994 1.00 0.00 N ATOM 0 H LYS A 110 7.081 -3.633 -12.187 1.00 0.00 H new ATOM 0 HA LYS A 110 7.095 -5.288 -13.761 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.056 -6.214 -12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.886 -7.329 -11.704 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.257 -8.069 -14.013 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.434 -6.960 -14.687 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.284 -8.185 -13.814 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.296 -9.018 -12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.460 -10.553 -14.186 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.603 -9.438 -15.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.255 -11.184 -15.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.012 -9.680 -15.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.873 -10.760 -14.137 1.00 0.00 H new ATOM 882 N VAL A 111 4.666 -5.323 -12.246 1.00 0.00 N ATOM 883 CA VAL A 111 3.279 -5.713 -12.068 1.00 0.00 C ATOM 884 C VAL A 111 2.538 -5.569 -13.400 1.00 0.00 C ATOM 885 O VAL A 111 1.312 -5.470 -13.424 1.00 0.00 O ATOM 886 CB VAL A 111 2.645 -4.895 -10.941 1.00 0.00 C ATOM 887 CG1 VAL A 111 3.407 -5.089 -9.628 1.00 0.00 C ATOM 888 CG2 VAL A 111 2.567 -3.413 -11.316 1.00 0.00 C ATOM 0 H VAL A 111 4.854 -4.333 -12.088 1.00 0.00 H new ATOM 0 HA VAL A 111 3.212 -6.759 -11.769 1.00 0.00 H new ATOM 0 HB VAL A 111 1.627 -5.257 -10.795 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.936 -4.497 -8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.388 -6.142 -9.349 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.440 -4.766 -9.756 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.113 -2.854 -10.498 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.571 -3.032 -11.502 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.962 -3.297 -12.215 1.00 0.00 H new ATOM 889 N PHE A 112 3.314 -5.565 -14.474 1.00 0.00 N ATOM 890 CA PHE A 112 2.747 -5.436 -15.805 1.00 0.00 C ATOM 891 C PHE A 112 3.426 -6.394 -16.787 1.00 0.00 C ATOM 892 O PHE A 112 4.648 -6.381 -16.926 1.00 0.00 O ATOM 893 CB PHE A 112 2.998 -3.997 -16.261 1.00 0.00 C ATOM 894 CG PHE A 112 4.478 -3.632 -16.385 1.00 0.00 C ATOM 895 CD1 PHE A 112 5.275 -3.640 -15.283 1.00 0.00 C ATOM 896 CD2 PHE A 112 4.998 -3.301 -17.597 1.00 0.00 C ATOM 897 CE1 PHE A 112 6.649 -3.302 -15.398 1.00 0.00 C ATOM 898 CE2 PHE A 112 6.372 -2.963 -17.712 1.00 0.00 C ATOM 899 CZ PHE A 112 7.169 -2.970 -16.610 1.00 0.00 C ATOM 0 H PHE A 112 4.330 -5.649 -14.449 1.00 0.00 H new ATOM 0 HA PHE A 112 1.684 -5.676 -15.780 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.515 -3.843 -17.226 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.524 -3.315 -15.555 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.863 -3.904 -14.320 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.366 -3.295 -18.472 1.00 0.00 H new ATOM 0 HE1 PHE A 112 7.282 -3.309 -14.523 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.785 -2.700 -18.675 1.00 0.00 H new ATOM 0 HZ PHE A 112 8.214 -2.712 -16.697 1.00 0.00 H new ATOM 900 N ASN A 113 2.605 -7.202 -17.440 1.00 0.00 N ATOM 901 CA ASN A 113 3.110 -8.164 -18.403 1.00 0.00 C ATOM 902 C ASN A 113 3.539 -7.430 -19.676 1.00 0.00 C ATOM 903 O ASN A 113 4.631 -7.660 -20.191 1.00 0.00 O ATOM 904 CB ASN A 113 2.033 -9.181 -18.784 1.00 0.00 C ATOM 905 CG ASN A 113 0.798 -8.482 -19.356 1.00 0.00 C ATOM 906 OD1 ASN A 113 -0.227 -8.419 -18.511 1.00 0.00 O flip ATOM 907 ND2 ASN A 113 0.777 -8.031 -20.489 1.00 0.00 N flip ATOM 0 H ASN A 113 1.592 -7.210 -17.321 1.00 0.00 H new ATOM 0 HA ASN A 113 3.952 -8.685 -17.947 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.432 -9.881 -19.518 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.752 -9.764 -17.907 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.600 -8.113 -21.086 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.063 -7.571 -20.839 1.00 0.00 H new