USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 775 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 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 46 ASN : amide:sc=-0.00752 X(o=-0.0075,f=0) USER MOD Set 2.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -118:sc= 0.0915 (180deg=-0.0127) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-1.1) USER MOD Single : A 11 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0768 USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00981) USER MOD Single : A 25 TYR OH : rot 49:sc= 0.79 USER MOD Single : A 30 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.21) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 75:sc= 0.0578 USER MOD Single : A 34 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 38 GLN : amide:sc= -2.91! C(o=-2.9!,f=-3.6!) USER MOD Single : A 43 HIS : no HD1:sc= -3.99! C(o=-4!,f=-5.6!) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.449 K(o=-0.45,f=-3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.027 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.069 K(o=-0.069,f=-1) USER MOD Single : A 56 GLN : amide:sc= -1.22 K(o=-1.2,f=-7.2!) USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 1.08 (180deg=0.987) USER MOD Single : A 69 SER OG : rot 29:sc= 0.482 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.034 USER MOD Single : A 72 MET CE :methyl -168:sc= 0 (180deg=-0.227) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0.101 USER MOD Single : A 82 GLN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 85 ASN : amide:sc=-0.00489 X(o=-0.0049,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.711 K(o=-0.71,f=-0.044) USER MOD Single : A 90 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.3) USER MOD Single : A 91 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.13) USER MOD Single : A 92 HIS : no HD1:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 136.589 0.788 6.534 1.00 0.00 N ATOM 2 CA GLN A 1 136.219 0.874 5.094 1.00 0.00 C ATOM 3 C GLN A 1 136.745 -0.330 4.315 1.00 0.00 C ATOM 4 O GLN A 1 137.527 -1.127 4.840 1.00 0.00 O ATOM 5 CB GLN A 1 136.792 2.174 4.514 1.00 0.00 C ATOM 6 CG GLN A 1 135.993 3.413 4.888 1.00 0.00 C ATOM 7 CD GLN A 1 136.842 4.670 4.898 1.00 0.00 C ATOM 8 OE1 GLN A 1 137.464 5.002 5.905 1.00 0.00 O ATOM 9 NE2 GLN A 1 136.873 5.375 3.772 1.00 0.00 N ATOM 0 H1 GLN A 1 135.726 0.741 7.112 1.00 0.00 H new ATOM 0 H2 GLN A 1 137.161 -0.066 6.695 1.00 0.00 H new ATOM 0 H3 GLN A 1 137.139 1.629 6.802 1.00 0.00 H new ATOM 0 HA GLN A 1 135.133 0.873 5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 1 137.818 2.295 4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 1 136.831 2.091 3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 1 135.172 3.539 4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 1 135.548 3.271 5.873 1.00 0.00 H new ATOM 0 HE21 GLN A 1 136.341 5.062 2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 1 137.429 6.229 3.720 1.00 0.00 H new ATOM 17 N SER A 2 136.314 -0.453 3.061 1.00 0.00 N ATOM 18 CA SER A 2 136.741 -1.556 2.207 1.00 0.00 C ATOM 19 C SER A 2 137.735 -1.079 1.150 1.00 0.00 C ATOM 20 O SER A 2 137.491 -0.082 0.468 1.00 0.00 O ATOM 21 CB SER A 2 135.526 -2.199 1.537 1.00 0.00 C ATOM 22 OG SER A 2 135.000 -3.240 2.340 1.00 0.00 O ATOM 0 H SER A 2 135.669 0.199 2.615 1.00 0.00 H new ATOM 0 HA SER A 2 137.240 -2.298 2.831 1.00 0.00 H new ATOM 0 HB2 SER A 2 134.759 -1.444 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 2 135.810 -2.594 0.562 1.00 0.00 H new ATOM 0 HG SER A 2 134.223 -3.636 1.894 1.00 0.00 H new ATOM 28 N ASP A 3 138.855 -1.808 1.028 1.00 0.00 N ATOM 29 CA ASP A 3 139.915 -1.489 0.062 1.00 0.00 C ATOM 30 C ASP A 3 140.635 -0.193 0.434 1.00 0.00 C ATOM 31 O ASP A 3 140.062 0.895 0.347 1.00 0.00 O ATOM 32 CB ASP A 3 139.357 -1.390 -1.365 1.00 0.00 C ATOM 33 CG ASP A 3 138.462 -2.561 -1.732 1.00 0.00 C ATOM 34 OD1 ASP A 3 138.935 -3.717 -1.669 1.00 0.00 O ATOM 35 OD2 ASP A 3 137.289 -2.321 -2.086 1.00 0.00 O ATOM 0 H ASP A 3 139.050 -2.633 1.595 1.00 0.00 H new ATOM 0 HA ASP A 3 140.636 -2.306 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 3 138.793 -0.463 -1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 3 140.186 -1.337 -2.071 1.00 0.00 H new ATOM 40 N VAL A 4 141.894 -0.320 0.853 1.00 0.00 N ATOM 41 CA VAL A 4 142.697 0.837 1.243 1.00 0.00 C ATOM 42 C VAL A 4 143.638 1.263 0.115 1.00 0.00 C ATOM 43 O VAL A 4 144.341 0.433 -0.467 1.00 0.00 O ATOM 44 CB VAL A 4 143.530 0.552 2.515 1.00 0.00 C ATOM 45 CG1 VAL A 4 144.147 1.838 3.051 1.00 0.00 C ATOM 46 CG2 VAL A 4 142.674 -0.113 3.584 1.00 0.00 C ATOM 0 H VAL A 4 142.379 -1.214 0.931 1.00 0.00 H new ATOM 0 HA VAL A 4 141.997 1.645 1.454 1.00 0.00 H new ATOM 0 HB VAL A 4 144.335 -0.132 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 4 144.729 1.617 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 4 144.798 2.273 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 4 143.356 2.546 3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 4 143.281 -0.304 4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 4 141.845 0.544 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 4 142.283 -1.056 3.202 1.00 0.00 H new ATOM 56 N ARG A 5 143.645 2.565 -0.184 1.00 0.00 N ATOM 57 CA ARG A 5 144.498 3.119 -1.238 1.00 0.00 C ATOM 58 C ARG A 5 145.865 3.514 -0.677 1.00 0.00 C ATOM 59 O ARG A 5 145.955 4.356 0.220 1.00 0.00 O ATOM 60 CB ARG A 5 143.824 4.338 -1.878 1.00 0.00 C ATOM 61 CG ARG A 5 144.197 4.551 -3.337 1.00 0.00 C ATOM 62 CD ARG A 5 143.064 5.219 -4.104 1.00 0.00 C ATOM 63 NE ARG A 5 143.021 4.791 -5.501 1.00 0.00 N ATOM 64 CZ ARG A 5 142.525 3.619 -5.911 1.00 0.00 C ATOM 65 NH1 ARG A 5 142.008 2.758 -5.034 1.00 0.00 N ATOM 66 NH2 ARG A 5 142.542 3.310 -7.204 1.00 0.00 N ATOM 0 H ARG A 5 143.067 3.257 0.292 1.00 0.00 H new ATOM 0 HA ARG A 5 144.644 2.352 -1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 5 142.743 4.225 -1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 5 144.092 5.229 -1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 5 145.094 5.167 -3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 5 144.436 3.592 -3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 5 142.114 4.985 -3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 5 143.185 6.301 -4.060 1.00 0.00 H new ATOM 0 HE ARG A 5 143.393 5.426 -6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 5 141.989 2.991 -4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 5 141.632 1.866 -5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 5 142.933 3.966 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 5 142.164 2.417 -7.520 1.00 0.00 H new ATOM 80 N ILE A 6 146.925 2.901 -1.209 1.00 0.00 N ATOM 81 CA ILE A 6 148.287 3.187 -0.759 1.00 0.00 C ATOM 82 C ILE A 6 149.119 3.818 -1.879 1.00 0.00 C ATOM 83 O ILE A 6 149.106 3.342 -3.018 1.00 0.00 O ATOM 84 CB ILE A 6 148.994 1.903 -0.257 1.00 0.00 C ATOM 85 CG1 ILE A 6 148.086 1.129 0.709 1.00 0.00 C ATOM 86 CG2 ILE A 6 150.317 2.246 0.418 1.00 0.00 C ATOM 87 CD1 ILE A 6 148.504 -0.312 0.914 1.00 0.00 C ATOM 0 H ILE A 6 146.865 2.204 -1.951 1.00 0.00 H new ATOM 0 HA ILE A 6 148.208 3.894 0.067 1.00 0.00 H new ATOM 0 HB ILE A 6 149.201 1.269 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 6 148.080 1.637 1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 6 147.064 1.151 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 6 150.797 1.331 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 6 150.969 2.751 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 6 150.132 2.902 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 6 147.816 -0.795 1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 6 148.483 -0.836 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 6 149.514 -0.343 1.323 1.00 0.00 H new ATOM 99 N LYS A 7 149.840 4.891 -1.546 1.00 0.00 N ATOM 100 CA LYS A 7 150.678 5.590 -2.517 1.00 0.00 C ATOM 101 C LYS A 7 152.142 5.168 -2.376 1.00 0.00 C ATOM 102 O LYS A 7 152.723 5.255 -1.292 1.00 0.00 O ATOM 103 CB LYS A 7 150.544 7.108 -2.345 1.00 0.00 C ATOM 104 CG LYS A 7 149.613 7.755 -3.360 1.00 0.00 C ATOM 105 CD LYS A 7 149.389 9.228 -3.054 1.00 0.00 C ATOM 106 CE LYS A 7 148.956 10.000 -4.293 1.00 0.00 C ATOM 107 NZ LYS A 7 147.472 10.095 -4.408 1.00 0.00 N ATOM 0 H LYS A 7 149.859 5.294 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 7 150.338 5.319 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 7 150.178 7.321 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 7 151.531 7.563 -2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 7 150.034 7.650 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 7 148.656 7.233 -3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 7 148.629 9.327 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 7 150.307 9.661 -2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 7 149.381 11.003 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 7 149.357 9.512 -5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 147.224 10.628 -5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 147.066 9.139 -4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 147.090 10.584 -3.573 1.00 0.00 H new ATOM 121 N PHE A 8 152.728 4.707 -3.482 1.00 0.00 N ATOM 122 CA PHE A 8 154.121 4.261 -3.492 1.00 0.00 C ATOM 123 C PHE A 8 154.986 5.172 -4.361 1.00 0.00 C ATOM 124 O PHE A 8 154.581 5.563 -5.458 1.00 0.00 O ATOM 125 CB PHE A 8 154.212 2.820 -4.005 1.00 0.00 C ATOM 126 CG PHE A 8 153.387 1.842 -3.212 1.00 0.00 C ATOM 127 CD1 PHE A 8 153.918 1.205 -2.101 1.00 0.00 C ATOM 128 CD2 PHE A 8 152.080 1.561 -3.579 1.00 0.00 C ATOM 129 CE1 PHE A 8 153.162 0.307 -1.373 1.00 0.00 C ATOM 130 CE2 PHE A 8 151.319 0.664 -2.855 1.00 0.00 C ATOM 131 CZ PHE A 8 151.861 0.036 -1.751 1.00 0.00 C ATOM 0 H PHE A 8 152.258 4.633 -4.384 1.00 0.00 H new ATOM 0 HA PHE A 8 154.494 4.306 -2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 8 153.890 2.793 -5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 8 155.254 2.502 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 8 154.934 1.413 -1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 8 151.652 2.049 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 8 153.587 -0.183 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 8 150.302 0.454 -3.152 1.00 0.00 H new ATOM 0 HZ PHE A 8 151.268 -0.666 -1.184 1.00 0.00 H new ATOM 141 N GLU A 9 156.181 5.504 -3.865 1.00 0.00 N ATOM 142 CA GLU A 9 157.104 6.368 -4.600 1.00 0.00 C ATOM 143 C GLU A 9 158.429 5.660 -4.877 1.00 0.00 C ATOM 144 O GLU A 9 159.018 5.045 -3.984 1.00 0.00 O ATOM 145 CB GLU A 9 157.359 7.668 -3.831 1.00 0.00 C ATOM 146 CG GLU A 9 157.800 8.825 -4.723 1.00 0.00 C ATOM 147 CD GLU A 9 159.273 9.173 -4.573 1.00 0.00 C ATOM 148 OE1 GLU A 9 160.123 8.265 -4.709 1.00 0.00 O ATOM 149 OE2 GLU A 9 159.575 10.361 -4.327 1.00 0.00 O ATOM 0 H GLU A 9 156.530 5.188 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 9 156.637 6.607 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 9 156.449 7.953 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 9 158.124 7.490 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 9 157.598 8.570 -5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 9 157.200 9.704 -4.488 1.00 0.00 H new ATOM 156 N HIS A 10 158.890 5.764 -6.124 1.00 0.00 N ATOM 157 CA HIS A 10 160.146 5.152 -6.544 1.00 0.00 C ATOM 158 C HIS A 10 160.833 6.022 -7.596 1.00 0.00 C ATOM 159 O HIS A 10 160.293 6.227 -8.685 1.00 0.00 O ATOM 160 CB HIS A 10 159.890 3.749 -7.105 1.00 0.00 C ATOM 161 CG HIS A 10 161.140 2.992 -7.435 1.00 0.00 C ATOM 162 ND1 HIS A 10 161.398 2.474 -8.687 1.00 0.00 N ATOM 163 CD2 HIS A 10 162.205 2.661 -6.667 1.00 0.00 C ATOM 164 CE1 HIS A 10 162.565 1.855 -8.674 1.00 0.00 C ATOM 165 NE2 HIS A 10 163.075 1.955 -7.461 1.00 0.00 N ATOM 0 H HIS A 10 158.406 6.271 -6.865 1.00 0.00 H new ATOM 0 HA HIS A 10 160.801 5.069 -5.676 1.00 0.00 H new ATOM 0 HB2 HIS A 10 159.311 3.178 -6.379 1.00 0.00 H new ATOM 0 HB3 HIS A 10 159.279 3.833 -8.004 1.00 0.00 H new ATOM 0 HD2 HIS A 10 162.344 2.906 -5.625 1.00 0.00 H new ATOM 0 HE1 HIS A 10 163.023 1.353 -9.513 1.00 0.00 H new ATOM 0 HE2 HIS A 10 163.971 1.570 -7.162 1.00 0.00 H new ATOM 174 N ASN A 11 162.021 6.533 -7.261 1.00 0.00 N ATOM 175 CA ASN A 11 162.789 7.391 -8.171 1.00 0.00 C ATOM 176 C ASN A 11 161.984 8.635 -8.582 1.00 0.00 C ATOM 177 O ASN A 11 162.111 9.125 -9.707 1.00 0.00 O ATOM 178 CB ASN A 11 163.219 6.602 -9.417 1.00 0.00 C ATOM 179 CG ASN A 11 164.616 6.020 -9.288 1.00 0.00 C ATOM 180 OD1 ASN A 11 165.487 6.597 -8.637 1.00 0.00 O ATOM 181 ND2 ASN A 11 164.842 4.869 -9.915 1.00 0.00 N ATOM 0 H ASN A 11 162.474 6.367 -6.362 1.00 0.00 H new ATOM 0 HA ASN A 11 163.679 7.727 -7.639 1.00 0.00 H new ATOM 0 HB2 ASN A 11 162.508 5.795 -9.594 1.00 0.00 H new ATOM 0 HB3 ASN A 11 163.181 7.257 -10.288 1.00 0.00 H new ATOM 0 HD21 ASN A 11 165.763 4.434 -9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 11 164.094 4.421 -10.445 1.00 0.00 H new ATOM 188 N GLY A 12 161.160 9.141 -7.660 1.00 0.00 N ATOM 189 CA GLY A 12 160.350 10.318 -7.942 1.00 0.00 C ATOM 190 C GLY A 12 159.076 10.003 -8.721 1.00 0.00 C ATOM 191 O GLY A 12 158.422 10.916 -9.231 1.00 0.00 O ATOM 0 H GLY A 12 161.040 8.756 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 12 160.083 10.800 -7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 12 160.946 11.033 -8.508 1.00 0.00 H new ATOM 195 N GLU A 13 158.714 8.718 -8.809 1.00 0.00 N ATOM 196 CA GLU A 13 157.510 8.301 -9.526 1.00 0.00 C ATOM 197 C GLU A 13 156.444 7.818 -8.546 1.00 0.00 C ATOM 198 O GLU A 13 156.671 6.865 -7.798 1.00 0.00 O ATOM 199 CB GLU A 13 157.836 7.181 -10.519 1.00 0.00 C ATOM 200 CG GLU A 13 158.077 7.662 -11.943 1.00 0.00 C ATOM 201 CD GLU A 13 158.680 6.585 -12.826 1.00 0.00 C ATOM 202 OE1 GLU A 13 157.948 5.642 -13.201 1.00 0.00 O ATOM 203 OE2 GLU A 13 159.885 6.681 -13.140 1.00 0.00 O ATOM 0 H GLU A 13 159.240 7.950 -8.391 1.00 0.00 H new ATOM 0 HA GLU A 13 157.128 9.163 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 13 158.722 6.649 -10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 13 157.015 6.464 -10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 13 157.133 7.995 -12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 13 158.742 8.526 -11.924 1.00 0.00 H new ATOM 210 N ARG A 14 155.282 8.476 -8.557 1.00 0.00 N ATOM 211 CA ARG A 14 154.181 8.104 -7.667 1.00 0.00 C ATOM 212 C ARG A 14 153.232 7.118 -8.352 1.00 0.00 C ATOM 213 O ARG A 14 152.859 7.307 -9.512 1.00 0.00 O ATOM 214 CB ARG A 14 153.405 9.351 -7.224 1.00 0.00 C ATOM 215 CG ARG A 14 154.020 10.063 -6.027 1.00 0.00 C ATOM 216 CD ARG A 14 153.957 11.576 -6.181 1.00 0.00 C ATOM 217 NE ARG A 14 154.077 12.268 -4.896 1.00 0.00 N ATOM 218 CZ ARG A 14 153.080 12.389 -4.011 1.00 0.00 C ATOM 219 NH1 ARG A 14 151.882 11.864 -4.266 1.00 0.00 N ATOM 220 NH2 ARG A 14 153.282 13.039 -2.867 1.00 0.00 N ATOM 0 H ARG A 14 155.080 9.266 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 14 154.609 7.620 -6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 14 153.348 10.048 -8.060 1.00 0.00 H new ATOM 0 HB3 ARG A 14 152.383 9.063 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 14 153.496 9.767 -5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 14 155.058 9.751 -5.912 1.00 0.00 H new ATOM 0 HD2 ARG A 14 154.756 11.906 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 14 153.015 11.852 -6.654 1.00 0.00 H new ATOM 0 HE ARG A 14 154.978 12.684 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 14 151.719 11.365 -5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 14 151.128 11.961 -3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 14 154.196 13.444 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 14 152.523 13.132 -2.192 1.00 0.00 H new ATOM 234 N ARG A 15 152.840 6.071 -7.621 1.00 0.00 N ATOM 235 CA ARG A 15 151.930 5.054 -8.150 1.00 0.00 C ATOM 236 C ARG A 15 150.777 4.791 -7.180 1.00 0.00 C ATOM 237 O ARG A 15 150.963 4.809 -5.961 1.00 0.00 O ATOM 238 CB ARG A 15 152.690 3.753 -8.429 1.00 0.00 C ATOM 239 CG ARG A 15 152.462 3.203 -9.831 1.00 0.00 C ATOM 240 CD ARG A 15 153.399 2.042 -10.138 1.00 0.00 C ATOM 241 NE ARG A 15 153.853 2.052 -11.531 1.00 0.00 N ATOM 242 CZ ARG A 15 154.840 2.829 -11.996 1.00 0.00 C ATOM 243 NH1 ARG A 15 155.469 3.681 -11.187 1.00 0.00 N ATOM 244 NH2 ARG A 15 155.195 2.755 -13.276 1.00 0.00 N ATOM 0 H ARG A 15 153.140 5.906 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 15 151.512 5.429 -9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 15 153.756 3.927 -8.285 1.00 0.00 H new ATOM 0 HB3 ARG A 15 152.388 3.002 -7.699 1.00 0.00 H new ATOM 0 HG2 ARG A 15 151.428 2.872 -9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 15 152.613 3.997 -10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 15 154.263 2.090 -9.475 1.00 0.00 H new ATOM 0 HD3 ARG A 15 152.889 1.101 -9.930 1.00 0.00 H new ATOM 0 HE ARG A 15 153.387 1.427 -12.189 1.00 0.00 H new ATOM 0 HH11 ARG A 15 155.200 3.745 -10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 15 156.220 4.269 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 15 154.716 2.107 -13.902 1.00 0.00 H new ATOM 0 HH22 ARG A 15 155.946 3.346 -13.632 1.00 0.00 H new ATOM 258 N ILE A 16 149.587 4.548 -7.734 1.00 0.00 N ATOM 259 CA ILE A 16 148.397 4.284 -6.925 1.00 0.00 C ATOM 260 C ILE A 16 147.957 2.823 -7.048 1.00 0.00 C ATOM 261 O ILE A 16 147.570 2.374 -8.130 1.00 0.00 O ATOM 262 CB ILE A 16 147.217 5.196 -7.337 1.00 0.00 C ATOM 263 CG1 ILE A 16 147.656 6.663 -7.392 1.00 0.00 C ATOM 264 CG2 ILE A 16 146.049 5.025 -6.374 1.00 0.00 C ATOM 265 CD1 ILE A 16 147.181 7.389 -8.633 1.00 0.00 C ATOM 0 H ILE A 16 149.423 4.529 -8.741 1.00 0.00 H new ATOM 0 HA ILE A 16 148.669 4.496 -5.891 1.00 0.00 H new ATOM 0 HB ILE A 16 146.890 4.900 -8.334 1.00 0.00 H new ATOM 0 HG12 ILE A 16 147.278 7.181 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 16 148.744 6.710 -7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 16 145.228 5.674 -6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 16 145.716 3.987 -6.387 1.00 0.00 H new ATOM 0 HG23 ILE A 16 146.367 5.291 -5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 16 147.528 8.422 -8.605 1.00 0.00 H new ATOM 0 HD12 ILE A 16 147.581 6.895 -9.519 1.00 0.00 H new ATOM 0 HD13 ILE A 16 146.092 7.373 -8.669 1.00 0.00 H new ATOM 277 N ILE A 17 148.012 2.090 -5.933 1.00 0.00 N ATOM 278 CA ILE A 17 147.612 0.682 -5.915 1.00 0.00 C ATOM 279 C ILE A 17 146.606 0.411 -4.795 1.00 0.00 C ATOM 280 O ILE A 17 146.819 0.804 -3.646 1.00 0.00 O ATOM 281 CB ILE A 17 148.825 -0.262 -5.738 1.00 0.00 C ATOM 282 CG1 ILE A 17 149.951 0.107 -6.713 1.00 0.00 C ATOM 283 CG2 ILE A 17 148.405 -1.715 -5.936 1.00 0.00 C ATOM 284 CD1 ILE A 17 149.577 -0.048 -8.174 1.00 0.00 C ATOM 0 H ILE A 17 148.329 2.448 -5.032 1.00 0.00 H new ATOM 0 HA ILE A 17 147.149 0.480 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 17 149.201 -0.144 -4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 17 150.250 1.140 -6.533 1.00 0.00 H new ATOM 0 HG13 ILE A 17 150.819 -0.518 -6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 17 149.271 -2.365 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 17 147.643 -1.977 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 17 148.001 -1.843 -6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 17 150.425 0.232 -8.798 1.00 0.00 H new ATOM 0 HD12 ILE A 17 149.307 -1.085 -8.372 1.00 0.00 H new ATOM 0 HD13 ILE A 17 148.729 0.598 -8.403 1.00 0.00 H new ATOM 296 N ALA A 18 145.513 -0.272 -5.141 1.00 0.00 N ATOM 297 CA ALA A 18 144.474 -0.606 -4.169 1.00 0.00 C ATOM 298 C ALA A 18 144.749 -1.959 -3.517 1.00 0.00 C ATOM 299 O ALA A 18 144.998 -2.950 -4.207 1.00 0.00 O ATOM 300 CB ALA A 18 143.105 -0.609 -4.836 1.00 0.00 C ATOM 0 H ALA A 18 145.326 -0.604 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 18 144.483 0.155 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 18 142.342 -0.859 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 18 142.900 0.378 -5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 18 143.092 -1.348 -5.637 1.00 0.00 H new ATOM 306 N PHE A 19 144.702 -1.994 -2.185 1.00 0.00 N ATOM 307 CA PHE A 19 144.946 -3.226 -1.438 1.00 0.00 C ATOM 308 C PHE A 19 143.802 -3.510 -0.464 1.00 0.00 C ATOM 309 O PHE A 19 143.536 -2.722 0.448 1.00 0.00 O ATOM 310 CB PHE A 19 146.277 -3.135 -0.682 1.00 0.00 C ATOM 311 CG PHE A 19 147.453 -3.640 -1.475 1.00 0.00 C ATOM 312 CD1 PHE A 19 147.655 -5.000 -1.649 1.00 0.00 C ATOM 313 CD2 PHE A 19 148.353 -2.754 -2.050 1.00 0.00 C ATOM 314 CE1 PHE A 19 148.730 -5.468 -2.381 1.00 0.00 C ATOM 315 CE2 PHE A 19 149.430 -3.217 -2.782 1.00 0.00 C ATOM 316 CZ PHE A 19 149.619 -4.575 -2.948 1.00 0.00 C ATOM 0 H PHE A 19 144.497 -1.183 -1.602 1.00 0.00 H new ATOM 0 HA PHE A 19 145.000 -4.050 -2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 19 146.456 -2.097 -0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 19 146.200 -3.706 0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 19 146.964 -5.703 -1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 19 148.210 -1.691 -1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 19 148.875 -6.530 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 19 150.124 -2.517 -3.224 1.00 0.00 H new ATOM 0 HZ PHE A 19 150.460 -4.938 -3.520 1.00 0.00 H new ATOM 326 N SER A 20 143.130 -4.645 -0.666 1.00 0.00 N ATOM 327 CA SER A 20 142.012 -5.047 0.188 1.00 0.00 C ATOM 328 C SER A 20 142.515 -5.647 1.502 1.00 0.00 C ATOM 329 O SER A 20 143.546 -6.322 1.531 1.00 0.00 O ATOM 330 CB SER A 20 141.120 -6.060 -0.540 1.00 0.00 C ATOM 331 OG SER A 20 141.861 -6.814 -1.486 1.00 0.00 O ATOM 0 H SER A 20 143.342 -5.303 -1.416 1.00 0.00 H new ATOM 0 HA SER A 20 141.427 -4.156 0.416 1.00 0.00 H new ATOM 0 HB2 SER A 20 140.663 -6.732 0.186 1.00 0.00 H new ATOM 0 HB3 SER A 20 140.308 -5.536 -1.045 1.00 0.00 H new ATOM 0 HG SER A 20 141.267 -7.452 -1.933 1.00 0.00 H new ATOM 337 N ARG A 21 141.777 -5.397 2.585 1.00 0.00 N ATOM 338 CA ARG A 21 142.144 -5.915 3.903 1.00 0.00 C ATOM 339 C ARG A 21 141.331 -7.165 4.252 1.00 0.00 C ATOM 340 O ARG A 21 140.189 -7.311 3.813 1.00 0.00 O ATOM 341 CB ARG A 21 141.951 -4.840 4.985 1.00 0.00 C ATOM 342 CG ARG A 21 140.617 -4.109 4.915 1.00 0.00 C ATOM 343 CD ARG A 21 140.401 -3.231 6.140 1.00 0.00 C ATOM 344 NE ARG A 21 140.473 -1.803 5.824 1.00 0.00 N ATOM 345 CZ ARG A 21 140.384 -0.831 6.737 1.00 0.00 C ATOM 346 NH1 ARG A 21 140.230 -1.127 8.026 1.00 0.00 N ATOM 347 NH2 ARG A 21 140.450 0.442 6.360 1.00 0.00 N ATOM 0 H ARG A 21 140.923 -4.840 2.575 1.00 0.00 H new ATOM 0 HA ARG A 21 143.198 -6.190 3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 21 142.044 -5.308 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 21 142.756 -4.110 4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 21 140.583 -3.495 4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 21 139.807 -4.834 4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 21 139.428 -3.455 6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 21 141.151 -3.472 6.893 1.00 0.00 H new ATOM 0 HE ARG A 21 140.599 -1.534 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 21 140.179 -2.101 8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 21 140.163 -0.379 8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 21 140.568 0.677 5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 21 140.382 1.184 7.056 1.00 0.00 H new ATOM 361 N PRO A 22 141.915 -8.089 5.045 1.00 0.00 N ATOM 362 CA PRO A 22 143.275 -7.947 5.586 1.00 0.00 C ATOM 363 C PRO A 22 144.363 -8.236 4.547 1.00 0.00 C ATOM 364 O PRO A 22 144.423 -9.330 3.982 1.00 0.00 O ATOM 365 CB PRO A 22 143.313 -8.988 6.705 1.00 0.00 C ATOM 366 CG PRO A 22 142.357 -10.047 6.272 1.00 0.00 C ATOM 367 CD PRO A 22 141.279 -9.349 5.482 1.00 0.00 C ATOM 0 HA PRO A 22 143.475 -6.928 5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 22 144.317 -9.391 6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 22 143.016 -8.554 7.660 1.00 0.00 H new ATOM 0 HG2 PRO A 22 142.860 -10.799 5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 22 141.934 -10.564 7.133 1.00 0.00 H new ATOM 0 HD2 PRO A 22 140.956 -9.949 4.631 1.00 0.00 H new ATOM 0 HD3 PRO A 22 140.396 -9.160 6.092 1.00 0.00 H new ATOM 375 N VAL A 23 145.226 -7.246 4.312 1.00 0.00 N ATOM 376 CA VAL A 23 146.321 -7.382 3.352 1.00 0.00 C ATOM 377 C VAL A 23 147.578 -7.930 4.033 1.00 0.00 C ATOM 378 O VAL A 23 147.990 -7.432 5.080 1.00 0.00 O ATOM 379 CB VAL A 23 146.643 -6.030 2.668 1.00 0.00 C ATOM 380 CG1 VAL A 23 147.149 -5.007 3.679 1.00 0.00 C ATOM 381 CG2 VAL A 23 147.651 -6.221 1.544 1.00 0.00 C ATOM 0 H VAL A 23 145.187 -6.338 4.776 1.00 0.00 H new ATOM 0 HA VAL A 23 145.996 -8.087 2.587 1.00 0.00 H new ATOM 0 HB VAL A 23 145.718 -5.645 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 23 147.367 -4.068 3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 23 146.386 -4.839 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 23 148.057 -5.382 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 23 147.863 -5.259 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 23 148.573 -6.638 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 23 147.241 -6.903 0.799 1.00 0.00 H new ATOM 391 N LYS A 24 148.178 -8.961 3.438 1.00 0.00 N ATOM 392 CA LYS A 24 149.384 -9.577 3.996 1.00 0.00 C ATOM 393 C LYS A 24 150.640 -8.814 3.571 1.00 0.00 C ATOM 394 O LYS A 24 150.766 -8.406 2.415 1.00 0.00 O ATOM 395 CB LYS A 24 149.496 -11.042 3.552 1.00 0.00 C ATOM 396 CG LYS A 24 148.276 -11.888 3.889 1.00 0.00 C ATOM 397 CD LYS A 24 148.379 -12.489 5.283 1.00 0.00 C ATOM 398 CE LYS A 24 147.038 -13.023 5.766 1.00 0.00 C ATOM 399 NZ LYS A 24 146.506 -14.098 4.877 1.00 0.00 N ATOM 0 H LYS A 24 147.850 -9.387 2.571 1.00 0.00 H new ATOM 0 HA LYS A 24 149.303 -9.537 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 24 149.660 -11.073 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 24 150.374 -11.487 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 24 147.377 -11.275 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 24 148.172 -12.687 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 24 149.112 -13.296 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 24 148.742 -11.733 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 24 147.147 -13.412 6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 24 146.319 -12.205 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 145.617 -14.467 5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 146.329 -13.708 3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 147.201 -14.869 4.810 1.00 0.00 H new ATOM 413 N TYR A 25 151.568 -8.632 4.516 1.00 0.00 N ATOM 414 CA TYR A 25 152.825 -7.923 4.249 1.00 0.00 C ATOM 415 C TYR A 25 153.586 -8.563 3.086 1.00 0.00 C ATOM 416 O TYR A 25 154.083 -7.861 2.203 1.00 0.00 O ATOM 417 CB TYR A 25 153.711 -7.913 5.500 1.00 0.00 C ATOM 418 CG TYR A 25 155.006 -7.149 5.324 1.00 0.00 C ATOM 419 CD1 TYR A 25 155.054 -5.775 5.525 1.00 0.00 C ATOM 420 CD2 TYR A 25 156.180 -7.801 4.962 1.00 0.00 C ATOM 421 CE1 TYR A 25 156.231 -5.073 5.364 1.00 0.00 C ATOM 422 CE2 TYR A 25 157.362 -7.103 4.799 1.00 0.00 C ATOM 423 CZ TYR A 25 157.383 -5.741 5.005 1.00 0.00 C ATOM 424 OH TYR A 25 158.559 -5.044 4.840 1.00 0.00 O ATOM 0 H TYR A 25 151.472 -8.966 5.475 1.00 0.00 H new ATOM 0 HA TYR A 25 152.574 -6.898 3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 25 153.151 -7.476 6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 25 153.941 -8.941 5.779 1.00 0.00 H new ATOM 0 HD1 TYR A 25 154.156 -5.248 5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 25 156.168 -8.870 4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 25 156.250 -4.004 5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 25 158.264 -7.623 4.512 1.00 0.00 H new ATOM 0 HH TYR A 25 158.703 -4.459 5.613 1.00 0.00 H new ATOM 434 N GLU A 26 153.671 -9.897 3.093 1.00 0.00 N ATOM 435 CA GLU A 26 154.370 -10.630 2.035 1.00 0.00 C ATOM 436 C GLU A 26 153.759 -10.330 0.668 1.00 0.00 C ATOM 437 O GLU A 26 154.478 -10.185 -0.320 1.00 0.00 O ATOM 438 CB GLU A 26 154.324 -12.137 2.300 1.00 0.00 C ATOM 439 CG GLU A 26 155.478 -12.643 3.153 1.00 0.00 C ATOM 440 CD GLU A 26 155.035 -13.624 4.222 1.00 0.00 C ATOM 441 OE1 GLU A 26 154.308 -14.586 3.887 1.00 0.00 O ATOM 442 OE2 GLU A 26 155.416 -13.433 5.395 1.00 0.00 O ATOM 0 H GLU A 26 153.265 -10.489 3.818 1.00 0.00 H new ATOM 0 HA GLU A 26 155.409 -10.301 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 26 153.384 -12.382 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 26 154.330 -12.665 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 26 156.216 -13.123 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 26 155.972 -11.795 3.627 1.00 0.00 H new ATOM 449 N ASP A 27 152.426 -10.236 0.625 1.00 0.00 N ATOM 450 CA ASP A 27 151.709 -9.949 -0.616 1.00 0.00 C ATOM 451 C ASP A 27 152.075 -8.567 -1.154 1.00 0.00 C ATOM 452 O ASP A 27 152.320 -8.403 -2.350 1.00 0.00 O ATOM 453 CB ASP A 27 150.194 -10.028 -0.388 1.00 0.00 C ATOM 454 CG ASP A 27 149.423 -10.304 -1.666 1.00 0.00 C ATOM 455 OD1 ASP A 27 149.551 -9.512 -2.625 1.00 0.00 O ATOM 456 OD2 ASP A 27 148.686 -11.312 -1.708 1.00 0.00 O ATOM 0 H ASP A 27 151.823 -10.355 1.439 1.00 0.00 H new ATOM 0 HA ASP A 27 152.002 -10.698 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 27 149.980 -10.813 0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 27 149.847 -9.090 0.046 1.00 0.00 H new ATOM 461 N VAL A 28 152.114 -7.578 -0.263 1.00 0.00 N ATOM 462 CA VAL A 28 152.452 -6.212 -0.655 1.00 0.00 C ATOM 463 C VAL A 28 153.914 -6.112 -1.088 1.00 0.00 C ATOM 464 O VAL A 28 154.216 -5.560 -2.147 1.00 0.00 O ATOM 465 CB VAL A 28 152.182 -5.201 0.483 1.00 0.00 C ATOM 466 CG1 VAL A 28 152.353 -3.774 -0.020 1.00 0.00 C ATOM 467 CG2 VAL A 28 150.787 -5.404 1.059 1.00 0.00 C ATOM 0 H VAL A 28 151.917 -7.696 0.731 1.00 0.00 H new ATOM 0 HA VAL A 28 151.808 -5.960 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 28 152.908 -5.374 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 28 152.159 -3.076 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 28 153.372 -3.635 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 28 151.651 -3.588 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 28 150.615 -4.683 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 28 150.045 -5.259 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 28 150.701 -6.415 1.457 1.00 0.00 H new ATOM 477 N GLU A 29 154.815 -6.656 -0.268 1.00 0.00 N ATOM 478 CA GLU A 29 156.244 -6.632 -0.571 1.00 0.00 C ATOM 479 C GLU A 29 156.553 -7.370 -1.873 1.00 0.00 C ATOM 480 O GLU A 29 157.370 -6.911 -2.675 1.00 0.00 O ATOM 481 CB GLU A 29 157.043 -7.250 0.577 1.00 0.00 C ATOM 482 CG GLU A 29 158.484 -6.768 0.630 1.00 0.00 C ATOM 483 CD GLU A 29 159.481 -7.826 0.192 1.00 0.00 C ATOM 484 OE1 GLU A 29 159.253 -8.470 -0.857 1.00 0.00 O ATOM 485 OE2 GLU A 29 160.495 -8.007 0.896 1.00 0.00 O ATOM 0 H GLU A 29 154.579 -7.118 0.610 1.00 0.00 H new ATOM 0 HA GLU A 29 156.536 -5.589 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 29 156.552 -7.014 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 29 157.033 -8.335 0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 29 158.591 -5.890 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 29 158.719 -6.454 1.647 1.00 0.00 H new ATOM 492 N HIS A 30 155.895 -8.513 -2.077 1.00 0.00 N ATOM 493 CA HIS A 30 156.096 -9.316 -3.282 1.00 0.00 C ATOM 494 C HIS A 30 155.785 -8.501 -4.533 1.00 0.00 C ATOM 495 O HIS A 30 156.546 -8.527 -5.500 1.00 0.00 O ATOM 496 CB HIS A 30 155.207 -10.563 -3.249 1.00 0.00 C ATOM 497 CG HIS A 30 155.886 -11.797 -2.730 1.00 0.00 C ATOM 498 ND1 HIS A 30 157.063 -11.780 -2.002 1.00 0.00 N ATOM 499 CD2 HIS A 30 155.534 -13.100 -2.835 1.00 0.00 C ATOM 500 CE1 HIS A 30 157.399 -13.020 -1.686 1.00 0.00 C ATOM 501 NE2 HIS A 30 156.488 -13.837 -2.180 1.00 0.00 N ATOM 0 H HIS A 30 155.218 -8.903 -1.421 1.00 0.00 H new ATOM 0 HA HIS A 30 157.142 -9.622 -3.311 1.00 0.00 H new ATOM 0 HB2 HIS A 30 154.335 -10.356 -2.629 1.00 0.00 H new ATOM 0 HB3 HIS A 30 154.842 -10.761 -4.257 1.00 0.00 H new ATOM 0 HD2 HIS A 30 154.662 -13.488 -3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 30 158.271 -13.314 -1.120 1.00 0.00 H new ATOM 0 HE2 HIS A 30 156.492 -14.853 -2.089 1.00 0.00 H new ATOM 510 N LYS A 31 154.666 -7.776 -4.508 1.00 0.00 N ATOM 511 CA LYS A 31 154.266 -6.951 -5.643 1.00 0.00 C ATOM 512 C LYS A 31 155.311 -5.873 -5.924 1.00 0.00 C ATOM 513 O LYS A 31 155.722 -5.688 -7.068 1.00 0.00 O ATOM 514 CB LYS A 31 152.894 -6.311 -5.399 1.00 0.00 C ATOM 515 CG LYS A 31 152.118 -6.038 -6.680 1.00 0.00 C ATOM 516 CD LYS A 31 150.975 -7.027 -6.868 1.00 0.00 C ATOM 517 CE LYS A 31 150.234 -6.789 -8.179 1.00 0.00 C ATOM 518 NZ LYS A 31 149.045 -5.905 -8.002 1.00 0.00 N ATOM 0 H LYS A 31 154.024 -7.745 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 31 154.192 -7.598 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 31 152.304 -6.967 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 31 153.029 -5.374 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 31 151.721 -5.023 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 31 152.793 -6.096 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 31 151.367 -8.044 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 31 150.278 -6.940 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 31 150.914 -6.340 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 31 149.915 -7.746 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 148.572 -5.771 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 148.382 -6.345 -7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 149.350 -4.982 -7.632 1.00 0.00 H new ATOM 532 N VAL A 32 155.746 -5.173 -4.873 1.00 0.00 N ATOM 533 CA VAL A 32 156.755 -4.120 -5.015 1.00 0.00 C ATOM 534 C VAL A 32 158.048 -4.678 -5.611 1.00 0.00 C ATOM 535 O VAL A 32 158.597 -4.115 -6.560 1.00 0.00 O ATOM 536 CB VAL A 32 157.080 -3.443 -3.662 1.00 0.00 C ATOM 537 CG1 VAL A 32 158.032 -2.273 -3.865 1.00 0.00 C ATOM 538 CG2 VAL A 32 155.807 -2.985 -2.960 1.00 0.00 C ATOM 0 H VAL A 32 155.417 -5.315 -3.918 1.00 0.00 H new ATOM 0 HA VAL A 32 156.331 -3.374 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 32 157.569 -4.179 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 32 158.249 -1.809 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 32 158.959 -2.632 -4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 32 157.571 -1.539 -4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 32 156.064 -2.513 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 32 155.281 -2.269 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 32 155.164 -3.845 -2.774 1.00 0.00 H new ATOM 548 N THR A 33 158.524 -5.788 -5.046 1.00 0.00 N ATOM 549 CA THR A 33 159.751 -6.430 -5.512 1.00 0.00 C ATOM 550 C THR A 33 159.602 -6.951 -6.946 1.00 0.00 C ATOM 551 O THR A 33 160.537 -6.860 -7.736 1.00 0.00 O ATOM 552 CB THR A 33 160.141 -7.575 -4.568 1.00 0.00 C ATOM 553 OG1 THR A 33 160.254 -7.105 -3.234 1.00 0.00 O ATOM 554 CG2 THR A 33 161.456 -8.235 -4.930 1.00 0.00 C ATOM 0 H THR A 33 158.076 -6.262 -4.262 1.00 0.00 H new ATOM 0 HA THR A 33 160.542 -5.680 -5.511 1.00 0.00 H new ATOM 0 HB THR A 33 159.344 -8.312 -4.667 1.00 0.00 H new ATOM 0 HG1 THR A 33 159.359 -6.956 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 33 161.669 -9.035 -4.221 1.00 0.00 H new ATOM 0 HG22 THR A 33 161.390 -8.650 -5.936 1.00 0.00 H new ATOM 0 HG23 THR A 33 162.256 -7.496 -4.894 1.00 0.00 H new ATOM 562 N THR A 34 158.429 -7.502 -7.272 1.00 0.00 N ATOM 563 CA THR A 34 158.177 -8.036 -8.616 1.00 0.00 C ATOM 564 C THR A 34 158.032 -6.917 -9.653 1.00 0.00 C ATOM 565 O THR A 34 158.637 -6.981 -10.724 1.00 0.00 O ATOM 566 CB THR A 34 156.928 -8.930 -8.626 1.00 0.00 C ATOM 567 OG1 THR A 34 157.060 -9.993 -7.698 1.00 0.00 O ATOM 568 CG2 THR A 34 156.638 -9.545 -9.983 1.00 0.00 C ATOM 0 H THR A 34 157.642 -7.590 -6.629 1.00 0.00 H new ATOM 0 HA THR A 34 159.043 -8.638 -8.889 1.00 0.00 H new ATOM 0 HB THR A 34 156.104 -8.269 -8.358 1.00 0.00 H new ATOM 0 HG1 THR A 34 156.905 -9.656 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 34 155.743 -10.164 -9.918 1.00 0.00 H new ATOM 0 HG22 THR A 34 156.479 -8.753 -10.715 1.00 0.00 H new ATOM 0 HG23 THR A 34 157.483 -10.160 -10.292 1.00 0.00 H new ATOM 576 N VAL A 35 157.216 -5.904 -9.340 1.00 0.00 N ATOM 577 CA VAL A 35 156.988 -4.786 -10.262 1.00 0.00 C ATOM 578 C VAL A 35 158.285 -4.034 -10.569 1.00 0.00 C ATOM 579 O VAL A 35 158.592 -3.768 -11.731 1.00 0.00 O ATOM 580 CB VAL A 35 155.944 -3.781 -9.716 1.00 0.00 C ATOM 581 CG1 VAL A 35 155.739 -2.632 -10.697 1.00 0.00 C ATOM 582 CG2 VAL A 35 154.618 -4.473 -9.422 1.00 0.00 C ATOM 0 H VAL A 35 156.705 -5.835 -8.460 1.00 0.00 H new ATOM 0 HA VAL A 35 156.602 -5.231 -11.179 1.00 0.00 H new ATOM 0 HB VAL A 35 156.329 -3.374 -8.781 1.00 0.00 H new ATOM 0 HG11 VAL A 35 155.002 -1.937 -10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 35 156.684 -2.111 -10.849 1.00 0.00 H new ATOM 0 HG13 VAL A 35 155.384 -3.026 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 35 153.904 -3.744 -9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 35 154.228 -4.917 -10.338 1.00 0.00 H new ATOM 0 HG23 VAL A 35 154.772 -5.254 -8.677 1.00 0.00 H new ATOM 592 N PHE A 36 159.037 -3.686 -9.521 1.00 0.00 N ATOM 593 CA PHE A 36 160.296 -2.954 -9.690 1.00 0.00 C ATOM 594 C PHE A 36 161.467 -3.886 -10.016 1.00 0.00 C ATOM 595 O PHE A 36 162.478 -3.444 -10.567 1.00 0.00 O ATOM 596 CB PHE A 36 160.609 -2.140 -8.430 1.00 0.00 C ATOM 597 CG PHE A 36 159.603 -1.056 -8.153 1.00 0.00 C ATOM 598 CD1 PHE A 36 159.388 -0.038 -9.070 1.00 0.00 C ATOM 599 CD2 PHE A 36 158.872 -1.056 -6.976 1.00 0.00 C ATOM 600 CE1 PHE A 36 158.464 0.957 -8.818 1.00 0.00 C ATOM 601 CE2 PHE A 36 157.947 -0.064 -6.719 1.00 0.00 C ATOM 602 CZ PHE A 36 157.743 0.944 -7.640 1.00 0.00 C ATOM 0 H PHE A 36 158.798 -3.898 -8.552 1.00 0.00 H new ATOM 0 HA PHE A 36 160.167 -2.280 -10.537 1.00 0.00 H new ATOM 0 HB2 PHE A 36 160.652 -2.813 -7.573 1.00 0.00 H new ATOM 0 HB3 PHE A 36 161.597 -1.691 -8.533 1.00 0.00 H new ATOM 0 HD1 PHE A 36 159.950 -0.023 -9.992 1.00 0.00 H new ATOM 0 HD2 PHE A 36 159.028 -1.841 -6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 36 158.305 1.744 -9.541 1.00 0.00 H new ATOM 0 HE2 PHE A 36 157.383 -0.076 -5.798 1.00 0.00 H new ATOM 0 HZ PHE A 36 157.021 1.721 -7.440 1.00 0.00 H new ATOM 612 N GLY A 37 161.338 -5.169 -9.667 1.00 0.00 N ATOM 613 CA GLY A 37 162.403 -6.125 -9.929 1.00 0.00 C ATOM 614 C GLY A 37 163.427 -6.215 -8.799 1.00 0.00 C ATOM 615 O GLY A 37 164.301 -7.084 -8.826 1.00 0.00 O ATOM 0 H GLY A 37 160.515 -5.561 -9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 37 161.965 -7.110 -10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 37 162.913 -5.846 -10.851 1.00 0.00 H new ATOM 619 N GLN A 38 163.326 -5.322 -7.807 1.00 0.00 N ATOM 620 CA GLN A 38 164.253 -5.314 -6.677 1.00 0.00 C ATOM 621 C GLN A 38 163.498 -5.232 -5.350 1.00 0.00 C ATOM 622 O GLN A 38 162.454 -4.585 -5.264 1.00 0.00 O ATOM 623 CB GLN A 38 165.222 -4.132 -6.788 1.00 0.00 C ATOM 624 CG GLN A 38 165.846 -3.970 -8.166 1.00 0.00 C ATOM 625 CD GLN A 38 166.998 -2.983 -8.168 1.00 0.00 C ATOM 626 OE1 GLN A 38 166.953 -1.960 -8.851 1.00 0.00 O ATOM 627 NE2 GLN A 38 168.040 -3.284 -7.398 1.00 0.00 N ATOM 0 H GLN A 38 162.610 -4.597 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 38 164.817 -6.246 -6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 38 164.691 -3.215 -6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 38 166.017 -4.257 -6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 38 166.201 -4.939 -8.517 1.00 0.00 H new ATOM 0 HG3 GLN A 38 165.084 -3.636 -8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 38 168.036 -4.143 -6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 38 168.843 -2.656 -7.358 1.00 0.00 H new ATOM 636 N PRO A 39 164.018 -5.887 -4.293 1.00 0.00 N ATOM 637 CA PRO A 39 163.386 -5.878 -2.970 1.00 0.00 C ATOM 638 C PRO A 39 163.589 -4.548 -2.241 1.00 0.00 C ATOM 639 O PRO A 39 164.609 -4.337 -1.579 1.00 0.00 O ATOM 640 CB PRO A 39 164.093 -7.022 -2.237 1.00 0.00 C ATOM 641 CG PRO A 39 165.440 -7.102 -2.869 1.00 0.00 C ATOM 642 CD PRO A 39 165.261 -6.686 -4.307 1.00 0.00 C ATOM 0 HA PRO A 39 162.304 -6.000 -3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 39 164.168 -6.821 -1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 39 163.548 -7.959 -2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 39 166.147 -6.447 -2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 39 165.840 -8.114 -2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 39 166.109 -6.100 -4.662 1.00 0.00 H new ATOM 0 HD3 PRO A 39 165.173 -7.550 -4.965 1.00 0.00 H new ATOM 650 N LEU A 40 162.611 -3.650 -2.374 1.00 0.00 N ATOM 651 CA LEU A 40 162.675 -2.336 -1.735 1.00 0.00 C ATOM 652 C LEU A 40 161.952 -2.349 -0.389 1.00 0.00 C ATOM 653 O LEU A 40 160.851 -2.893 -0.272 1.00 0.00 O ATOM 654 CB LEU A 40 162.059 -1.267 -2.644 1.00 0.00 C ATOM 655 CG LEU A 40 162.828 -0.983 -3.939 1.00 0.00 C ATOM 656 CD1 LEU A 40 162.164 -1.674 -5.122 1.00 0.00 C ATOM 657 CD2 LEU A 40 162.921 0.517 -4.182 1.00 0.00 C ATOM 0 H LEU A 40 161.764 -3.810 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 40 163.725 -2.097 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 40 161.046 -1.574 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 40 161.976 -0.338 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 40 163.837 -1.381 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 40 162.726 -1.459 -6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 40 162.147 -2.750 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 40 161.143 -1.308 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 40 163.470 0.703 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 40 161.918 0.935 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 40 163.442 0.989 -3.349 1.00 0.00 H new ATOM 669 N ASP A 41 162.578 -1.742 0.619 1.00 0.00 N ATOM 670 CA ASP A 41 161.999 -1.678 1.959 1.00 0.00 C ATOM 671 C ASP A 41 160.882 -0.636 2.023 1.00 0.00 C ATOM 672 O ASP A 41 160.993 0.441 1.432 1.00 0.00 O ATOM 673 CB ASP A 41 163.081 -1.348 2.993 1.00 0.00 C ATOM 674 CG ASP A 41 163.032 -2.259 4.209 1.00 0.00 C ATOM 675 OD1 ASP A 41 161.921 -2.503 4.730 1.00 0.00 O ATOM 676 OD2 ASP A 41 164.107 -2.726 4.640 1.00 0.00 O ATOM 0 H ASP A 41 163.487 -1.287 0.532 1.00 0.00 H new ATOM 0 HA ASP A 41 161.573 -2.655 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 41 164.062 -1.428 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 41 162.965 -0.313 3.315 1.00 0.00 H new ATOM 681 N LEU A 42 159.810 -0.965 2.745 1.00 0.00 N ATOM 682 CA LEU A 42 158.670 -0.059 2.889 1.00 0.00 C ATOM 683 C LEU A 42 158.887 0.897 4.065 1.00 0.00 C ATOM 684 O LEU A 42 158.692 0.525 5.226 1.00 0.00 O ATOM 685 CB LEU A 42 157.373 -0.859 3.084 1.00 0.00 C ATOM 686 CG LEU A 42 157.118 -1.961 2.048 1.00 0.00 C ATOM 687 CD1 LEU A 42 156.647 -3.237 2.731 1.00 0.00 C ATOM 688 CD2 LEU A 42 156.099 -1.501 1.013 1.00 0.00 C ATOM 0 H LEU A 42 159.707 -1.852 3.239 1.00 0.00 H new ATOM 0 HA LEU A 42 158.582 0.531 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 42 157.391 -1.313 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 42 156.532 -0.166 3.066 1.00 0.00 H new ATOM 0 HG LEU A 42 158.056 -2.171 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 42 156.471 -4.008 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 42 157.410 -3.579 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 42 155.722 -3.040 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 42 155.932 -2.297 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 42 155.159 -1.260 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 42 156.475 -0.616 0.500 1.00 0.00 H new ATOM 700 N HIS A 43 159.304 2.126 3.758 1.00 0.00 N ATOM 701 CA HIS A 43 159.563 3.134 4.786 1.00 0.00 C ATOM 702 C HIS A 43 158.351 4.044 4.997 1.00 0.00 C ATOM 703 O HIS A 43 157.935 4.765 4.086 1.00 0.00 O ATOM 704 CB HIS A 43 160.785 3.975 4.407 1.00 0.00 C ATOM 705 CG HIS A 43 161.928 3.838 5.365 1.00 0.00 C ATOM 706 ND1 HIS A 43 163.008 3.011 5.137 1.00 0.00 N ATOM 707 CD2 HIS A 43 162.159 4.433 6.559 1.00 0.00 C ATOM 708 CE1 HIS A 43 163.852 3.105 6.148 1.00 0.00 C ATOM 709 NE2 HIS A 43 163.361 3.961 7.024 1.00 0.00 N ATOM 0 H HIS A 43 159.470 2.447 2.804 1.00 0.00 H new ATOM 0 HA HIS A 43 159.760 2.610 5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 43 161.120 3.685 3.411 1.00 0.00 H new ATOM 0 HB3 HIS A 43 160.491 5.023 4.352 1.00 0.00 H new ATOM 0 HD2 HIS A 43 161.517 5.147 7.054 1.00 0.00 H new ATOM 0 HE1 HIS A 43 164.786 2.571 6.242 1.00 0.00 H new ATOM 0 HE2 HIS A 43 163.803 4.228 7.904 1.00 0.00 H new ATOM 718 N TYR A 44 157.801 4.011 6.212 1.00 0.00 N ATOM 719 CA TYR A 44 156.647 4.828 6.570 1.00 0.00 C ATOM 720 C TYR A 44 157.070 5.970 7.496 1.00 0.00 C ATOM 721 O TYR A 44 157.522 5.734 8.618 1.00 0.00 O ATOM 722 CB TYR A 44 155.585 3.953 7.251 1.00 0.00 C ATOM 723 CG TYR A 44 154.472 4.730 7.926 1.00 0.00 C ATOM 724 CD1 TYR A 44 154.599 5.158 9.242 1.00 0.00 C ATOM 725 CD2 TYR A 44 153.296 5.029 7.251 1.00 0.00 C ATOM 726 CE1 TYR A 44 153.588 5.861 9.867 1.00 0.00 C ATOM 727 CE2 TYR A 44 152.278 5.733 7.868 1.00 0.00 C ATOM 728 CZ TYR A 44 152.429 6.147 9.175 1.00 0.00 C ATOM 729 OH TYR A 44 151.418 6.849 9.793 1.00 0.00 O ATOM 0 H TYR A 44 158.143 3.420 6.970 1.00 0.00 H new ATOM 0 HA TYR A 44 156.223 5.261 5.664 1.00 0.00 H new ATOM 0 HB2 TYR A 44 155.147 3.288 6.506 1.00 0.00 H new ATOM 0 HB3 TYR A 44 156.073 3.322 7.994 1.00 0.00 H new ATOM 0 HD1 TYR A 44 155.505 4.937 9.786 1.00 0.00 H new ATOM 0 HD2 TYR A 44 153.174 4.707 6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 44 153.704 6.185 10.891 1.00 0.00 H new ATOM 0 HE2 TYR A 44 151.369 5.957 7.329 1.00 0.00 H new ATOM 0 HH TYR A 44 150.673 6.968 9.168 1.00 0.00 H new ATOM 739 N MET A 45 156.919 7.206 7.023 1.00 0.00 N ATOM 740 CA MET A 45 157.284 8.380 7.817 1.00 0.00 C ATOM 741 C MET A 45 156.043 9.026 8.431 1.00 0.00 C ATOM 742 O MET A 45 155.028 9.205 7.755 1.00 0.00 O ATOM 743 CB MET A 45 158.046 9.400 6.959 1.00 0.00 C ATOM 744 CG MET A 45 157.286 9.873 5.727 1.00 0.00 C ATOM 745 SD MET A 45 157.380 11.659 5.502 1.00 0.00 S ATOM 746 CE MET A 45 155.969 12.197 6.467 1.00 0.00 C ATOM 0 H MET A 45 156.548 7.421 6.098 1.00 0.00 H new ATOM 0 HA MET A 45 157.937 8.051 8.625 1.00 0.00 H new ATOM 0 HB2 MET A 45 158.291 10.265 7.575 1.00 0.00 H new ATOM 0 HB3 MET A 45 158.990 8.957 6.642 1.00 0.00 H new ATOM 0 HG2 MET A 45 157.688 9.377 4.843 1.00 0.00 H new ATOM 0 HG3 MET A 45 156.241 9.575 5.812 1.00 0.00 H new ATOM 0 HE1 MET A 45 155.893 13.284 6.426 1.00 0.00 H new ATOM 0 HE2 MET A 45 155.060 11.754 6.060 1.00 0.00 H new ATOM 0 HE3 MET A 45 156.095 11.881 7.503 1.00 0.00 H new ATOM 756 N ASN A 46 156.132 9.374 9.714 1.00 0.00 N ATOM 757 CA ASN A 46 155.015 10.001 10.416 1.00 0.00 C ATOM 758 C ASN A 46 155.076 11.522 10.287 1.00 0.00 C ATOM 759 O ASN A 46 154.066 12.170 10.006 1.00 0.00 O ATOM 760 CB ASN A 46 155.023 9.596 11.891 1.00 0.00 C ATOM 761 CG ASN A 46 153.658 9.731 12.538 1.00 0.00 C ATOM 762 OD1 ASN A 46 153.376 10.722 13.212 1.00 0.00 O ATOM 763 ND2 ASN A 46 152.802 8.735 12.338 1.00 0.00 N ATOM 0 H ASN A 46 156.964 9.233 10.287 1.00 0.00 H new ATOM 0 HA ASN A 46 154.088 9.656 9.959 1.00 0.00 H new ATOM 0 HB2 ASN A 46 155.363 8.564 11.979 1.00 0.00 H new ATOM 0 HB3 ASN A 46 155.740 10.215 12.430 1.00 0.00 H new ATOM 0 HD21 ASN A 46 151.870 8.773 12.750 1.00 0.00 H new ATOM 0 HD22 ASN A 46 153.077 7.932 11.772 1.00 0.00 H new ATOM 770 N ASN A 47 156.272 12.081 10.490 1.00 0.00 N ATOM 771 CA ASN A 47 156.487 13.526 10.393 1.00 0.00 C ATOM 772 C ASN A 47 157.977 13.853 10.507 1.00 0.00 C ATOM 773 O ASN A 47 158.603 14.282 9.537 1.00 0.00 O ATOM 774 CB ASN A 47 155.697 14.270 11.481 1.00 0.00 C ATOM 775 CG ASN A 47 154.686 15.252 10.908 1.00 0.00 C ATOM 776 OD1 ASN A 47 154.518 15.357 9.692 1.00 0.00 O ATOM 777 ND2 ASN A 47 154.005 15.985 11.784 1.00 0.00 N ATOM 0 H ASN A 47 157.111 11.550 10.724 1.00 0.00 H new ATOM 0 HA ASN A 47 156.128 13.858 9.419 1.00 0.00 H new ATOM 0 HB2 ASN A 47 155.177 13.544 12.107 1.00 0.00 H new ATOM 0 HB3 ASN A 47 156.393 14.807 12.126 1.00 0.00 H new ATOM 0 HD21 ASN A 47 153.316 16.662 11.456 1.00 0.00 H new ATOM 0 HD22 ASN A 47 154.171 15.870 12.784 1.00 0.00 H new ATOM 784 N GLU A 48 158.534 13.638 11.698 1.00 0.00 N ATOM 785 CA GLU A 48 159.950 13.898 11.953 1.00 0.00 C ATOM 786 C GLU A 48 160.740 12.593 12.123 1.00 0.00 C ATOM 787 O GLU A 48 161.953 12.567 11.899 1.00 0.00 O ATOM 788 CB GLU A 48 160.109 14.767 13.205 1.00 0.00 C ATOM 789 CG GLU A 48 159.999 16.261 12.933 1.00 0.00 C ATOM 790 CD GLU A 48 161.176 16.801 12.142 1.00 0.00 C ATOM 791 OE1 GLU A 48 162.319 16.713 12.640 1.00 0.00 O ATOM 792 OE2 GLU A 48 160.954 17.312 11.025 1.00 0.00 O ATOM 0 H GLU A 48 158.023 13.282 12.506 1.00 0.00 H new ATOM 0 HA GLU A 48 160.352 14.427 11.089 1.00 0.00 H new ATOM 0 HB2 GLU A 48 159.349 14.483 13.932 1.00 0.00 H new ATOM 0 HB3 GLU A 48 161.078 14.560 13.659 1.00 0.00 H new ATOM 0 HG2 GLU A 48 159.077 16.460 12.386 1.00 0.00 H new ATOM 0 HG3 GLU A 48 159.928 16.794 13.881 1.00 0.00 H new ATOM 799 N LEU A 49 160.056 11.511 12.521 1.00 0.00 N ATOM 800 CA LEU A 49 160.710 10.221 12.722 1.00 0.00 C ATOM 801 C LEU A 49 160.391 9.254 11.584 1.00 0.00 C ATOM 802 O LEU A 49 159.246 9.167 11.131 1.00 0.00 O ATOM 803 CB LEU A 49 160.277 9.606 14.057 1.00 0.00 C ATOM 804 CG LEU A 49 161.246 9.821 15.224 1.00 0.00 C ATOM 805 CD1 LEU A 49 160.913 11.105 15.971 1.00 0.00 C ATOM 806 CD2 LEU A 49 161.211 8.627 16.168 1.00 0.00 C ATOM 0 H LEU A 49 159.053 11.509 12.708 1.00 0.00 H new ATOM 0 HA LEU A 49 161.786 10.394 12.735 1.00 0.00 H new ATOM 0 HB2 LEU A 49 159.307 10.021 14.331 1.00 0.00 H new ATOM 0 HB3 LEU A 49 160.137 8.534 13.916 1.00 0.00 H new ATOM 0 HG LEU A 49 162.255 9.915 14.821 1.00 0.00 H new ATOM 0 HD11 LEU A 49 161.613 11.238 16.796 1.00 0.00 H new ATOM 0 HD12 LEU A 49 160.989 11.952 15.290 1.00 0.00 H new ATOM 0 HD13 LEU A 49 159.898 11.045 16.363 1.00 0.00 H new ATOM 0 HD21 LEU A 49 161.905 8.794 16.992 1.00 0.00 H new ATOM 0 HD22 LEU A 49 160.202 8.504 16.562 1.00 0.00 H new ATOM 0 HD23 LEU A 49 161.501 7.727 15.627 1.00 0.00 H new ATOM 818 N SER A 50 161.413 8.524 11.137 1.00 0.00 N ATOM 819 CA SER A 50 161.252 7.550 10.060 1.00 0.00 C ATOM 820 C SER A 50 161.027 6.151 10.630 1.00 0.00 C ATOM 821 O SER A 50 161.833 5.656 11.421 1.00 0.00 O ATOM 822 CB SER A 50 162.478 7.553 9.139 1.00 0.00 C ATOM 823 OG SER A 50 163.663 7.866 9.853 1.00 0.00 O ATOM 0 H SER A 50 162.362 8.590 11.505 1.00 0.00 H new ATOM 0 HA SER A 50 160.377 7.834 9.475 1.00 0.00 H new ATOM 0 HB2 SER A 50 162.583 6.576 8.668 1.00 0.00 H new ATOM 0 HB3 SER A 50 162.332 8.278 8.339 1.00 0.00 H new ATOM 0 HG SER A 50 164.427 7.858 9.239 1.00 0.00 H new ATOM 829 N ILE A 51 159.924 5.521 10.225 1.00 0.00 N ATOM 830 CA ILE A 51 159.581 4.179 10.690 1.00 0.00 C ATOM 831 C ILE A 51 159.641 3.175 9.538 1.00 0.00 C ATOM 832 O ILE A 51 159.136 3.441 8.447 1.00 0.00 O ATOM 833 CB ILE A 51 158.170 4.144 11.326 1.00 0.00 C ATOM 834 CG1 ILE A 51 158.008 5.273 12.354 1.00 0.00 C ATOM 835 CG2 ILE A 51 157.912 2.791 11.977 1.00 0.00 C ATOM 836 CD1 ILE A 51 157.343 6.514 11.796 1.00 0.00 C ATOM 0 H ILE A 51 159.250 5.922 9.572 1.00 0.00 H new ATOM 0 HA ILE A 51 160.313 3.904 11.449 1.00 0.00 H new ATOM 0 HB ILE A 51 157.436 4.294 10.535 1.00 0.00 H new ATOM 0 HG12 ILE A 51 157.421 4.905 13.196 1.00 0.00 H new ATOM 0 HG13 ILE A 51 158.990 5.542 12.743 1.00 0.00 H new ATOM 0 HG21 ILE A 51 156.916 2.784 12.419 1.00 0.00 H new ATOM 0 HG22 ILE A 51 157.980 2.006 11.224 1.00 0.00 H new ATOM 0 HG23 ILE A 51 158.655 2.614 12.754 1.00 0.00 H new ATOM 0 HD11 ILE A 51 157.263 7.267 12.580 1.00 0.00 H new ATOM 0 HD12 ILE A 51 157.940 6.908 10.973 1.00 0.00 H new ATOM 0 HD13 ILE A 51 156.347 6.261 11.433 1.00 0.00 H new ATOM 848 N LEU A 52 160.263 2.023 9.783 1.00 0.00 N ATOM 849 CA LEU A 52 160.387 0.988 8.758 1.00 0.00 C ATOM 850 C LEU A 52 159.387 -0.141 8.998 1.00 0.00 C ATOM 851 O LEU A 52 159.282 -0.664 10.109 1.00 0.00 O ATOM 852 CB LEU A 52 161.812 0.430 8.731 1.00 0.00 C ATOM 853 CG LEU A 52 162.095 -0.569 7.605 1.00 0.00 C ATOM 854 CD1 LEU A 52 162.363 0.160 6.297 1.00 0.00 C ATOM 855 CD2 LEU A 52 163.268 -1.469 7.969 1.00 0.00 C ATOM 0 H LEU A 52 160.688 1.783 10.679 1.00 0.00 H new ATOM 0 HA LEU A 52 160.167 1.443 7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 52 162.510 1.262 8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 52 162.014 -0.055 9.686 1.00 0.00 H new ATOM 0 HG LEU A 52 161.213 -1.195 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 52 162.562 -0.567 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 52 161.492 0.757 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 52 163.228 0.813 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 52 163.453 -2.172 7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 52 164.157 -0.860 8.132 1.00 0.00 H new ATOM 0 HD23 LEU A 52 163.034 -2.021 8.880 1.00 0.00 H new ATOM 867 N LEU A 53 158.659 -0.515 7.945 1.00 0.00 N ATOM 868 CA LEU A 53 157.669 -1.585 8.033 1.00 0.00 C ATOM 869 C LEU A 53 158.345 -2.955 8.006 1.00 0.00 C ATOM 870 O LEU A 53 158.605 -3.512 6.939 1.00 0.00 O ATOM 871 CB LEU A 53 156.656 -1.468 6.888 1.00 0.00 C ATOM 872 CG LEU A 53 155.451 -0.570 7.180 1.00 0.00 C ATOM 873 CD1 LEU A 53 154.820 -0.070 5.888 1.00 0.00 C ATOM 874 CD2 LEU A 53 154.428 -1.316 8.022 1.00 0.00 C ATOM 0 H LEU A 53 158.738 -0.091 7.021 1.00 0.00 H new ATOM 0 HA LEU A 53 157.141 -1.484 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 53 157.170 -1.086 6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 53 156.295 -2.466 6.639 1.00 0.00 H new ATOM 0 HG LEU A 53 155.798 0.297 7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 53 153.966 0.566 6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 53 155.555 0.503 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 53 154.487 -0.920 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 53 153.577 -0.665 8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 53 154.089 -2.201 7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 53 154.883 -1.617 8.965 1.00 0.00 H new ATOM 886 N LYS A 54 158.626 -3.490 9.193 1.00 0.00 N ATOM 887 CA LYS A 54 159.270 -4.796 9.321 1.00 0.00 C ATOM 888 C LYS A 54 158.232 -5.912 9.467 1.00 0.00 C ATOM 889 O LYS A 54 158.413 -7.009 8.934 1.00 0.00 O ATOM 890 CB LYS A 54 160.221 -4.802 10.523 1.00 0.00 C ATOM 891 CG LYS A 54 161.607 -5.351 10.211 1.00 0.00 C ATOM 892 CD LYS A 54 162.687 -4.639 11.016 1.00 0.00 C ATOM 893 CE LYS A 54 162.982 -5.358 12.328 1.00 0.00 C ATOM 894 NZ LYS A 54 162.012 -4.998 13.403 1.00 0.00 N ATOM 0 H LYS A 54 158.417 -3.037 10.083 1.00 0.00 H new ATOM 0 HA LYS A 54 159.842 -4.980 8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 54 160.321 -3.784 10.900 1.00 0.00 H new ATOM 0 HB3 LYS A 54 159.777 -5.396 11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 54 161.634 -6.418 10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 54 161.812 -5.238 9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 54 163.600 -4.575 10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 54 162.370 -3.617 11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 54 162.955 -6.435 12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 54 163.992 -5.111 12.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 162.254 -5.511 14.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 162.055 -3.974 13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 161.050 -5.257 13.104 1.00 0.00 H new ATOM 908 N ASN A 55 157.147 -5.625 10.193 1.00 0.00 N ATOM 909 CA ASN A 55 156.081 -6.604 10.411 1.00 0.00 C ATOM 910 C ASN A 55 154.700 -5.977 10.211 1.00 0.00 C ATOM 911 O ASN A 55 154.574 -4.758 10.063 1.00 0.00 O ATOM 912 CB ASN A 55 156.182 -7.198 11.823 1.00 0.00 C ATOM 913 CG ASN A 55 157.186 -8.336 11.908 1.00 0.00 C ATOM 914 OD1 ASN A 55 157.329 -9.124 10.973 1.00 0.00 O ATOM 915 ND2 ASN A 55 157.889 -8.432 13.033 1.00 0.00 N ATOM 0 H ASN A 55 156.985 -4.722 10.639 1.00 0.00 H new ATOM 0 HA ASN A 55 156.206 -7.399 9.676 1.00 0.00 H new ATOM 0 HB2 ASN A 55 156.468 -6.413 12.524 1.00 0.00 H new ATOM 0 HB3 ASN A 55 155.201 -7.560 12.132 1.00 0.00 H new ATOM 0 HD21 ASN A 55 158.576 -9.178 13.143 1.00 0.00 H new ATOM 0 HD22 ASN A 55 157.742 -7.759 13.785 1.00 0.00 H new ATOM 922 N GLN A 56 153.664 -6.824 10.214 1.00 0.00 N ATOM 923 CA GLN A 56 152.283 -6.369 10.042 1.00 0.00 C ATOM 924 C GLN A 56 151.872 -5.400 11.155 1.00 0.00 C ATOM 925 O GLN A 56 151.064 -4.497 10.927 1.00 0.00 O ATOM 926 CB GLN A 56 151.328 -7.565 10.026 1.00 0.00 C ATOM 927 CG GLN A 56 150.011 -7.288 9.319 1.00 0.00 C ATOM 928 CD GLN A 56 150.145 -7.278 7.807 1.00 0.00 C ATOM 929 OE1 GLN A 56 150.931 -8.033 7.235 1.00 0.00 O ATOM 930 NE2 GLN A 56 149.369 -6.426 7.149 1.00 0.00 N ATOM 0 H GLN A 56 153.759 -7.832 10.334 1.00 0.00 H new ATOM 0 HA GLN A 56 152.225 -5.843 9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 56 151.822 -8.406 9.539 1.00 0.00 H new ATOM 0 HB3 GLN A 56 151.122 -7.868 11.053 1.00 0.00 H new ATOM 0 HG2 GLN A 56 149.282 -8.045 9.609 1.00 0.00 H new ATOM 0 HG3 GLN A 56 149.621 -6.326 9.651 1.00 0.00 H new ATOM 0 HE21 GLN A 56 148.731 -5.817 7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 56 149.411 -6.380 6.131 1.00 0.00 H new ATOM 939 N ASP A 57 152.435 -5.591 12.358 1.00 0.00 N ATOM 940 CA ASP A 57 152.129 -4.728 13.503 1.00 0.00 C ATOM 941 C ASP A 57 152.339 -3.261 13.138 1.00 0.00 C ATOM 942 O ASP A 57 151.496 -2.411 13.432 1.00 0.00 O ATOM 943 CB ASP A 57 153.019 -5.089 14.702 1.00 0.00 C ATOM 944 CG ASP A 57 152.375 -4.773 16.042 1.00 0.00 C ATOM 945 OD1 ASP A 57 151.919 -3.623 16.233 1.00 0.00 O ATOM 946 OD2 ASP A 57 152.334 -5.675 16.906 1.00 0.00 O ATOM 0 H ASP A 57 153.103 -6.335 12.560 1.00 0.00 H new ATOM 0 HA ASP A 57 151.085 -4.883 13.773 1.00 0.00 H new ATOM 0 HB2 ASP A 57 153.257 -6.152 14.662 1.00 0.00 H new ATOM 0 HB3 ASP A 57 153.962 -4.548 14.623 1.00 0.00 H new ATOM 951 N ASP A 58 153.468 -2.978 12.486 1.00 0.00 N ATOM 952 CA ASP A 58 153.799 -1.620 12.065 1.00 0.00 C ATOM 953 C ASP A 58 152.783 -1.091 11.051 1.00 0.00 C ATOM 954 O ASP A 58 152.402 0.079 11.098 1.00 0.00 O ATOM 955 CB ASP A 58 155.206 -1.583 11.462 1.00 0.00 C ATOM 956 CG ASP A 58 156.268 -1.244 12.489 1.00 0.00 C ATOM 957 OD1 ASP A 58 156.591 -2.118 13.322 1.00 0.00 O ATOM 958 OD2 ASP A 58 156.780 -0.106 12.459 1.00 0.00 O ATOM 0 H ASP A 58 154.170 -3.676 12.238 1.00 0.00 H new ATOM 0 HA ASP A 58 153.767 -0.978 12.945 1.00 0.00 H new ATOM 0 HB2 ASP A 58 155.432 -2.551 11.016 1.00 0.00 H new ATOM 0 HB3 ASP A 58 155.234 -0.847 10.658 1.00 0.00 H new ATOM 963 N LEU A 59 152.348 -1.962 10.138 1.00 0.00 N ATOM 964 CA LEU A 59 151.374 -1.583 9.116 1.00 0.00 C ATOM 965 C LEU A 59 150.017 -1.258 9.741 1.00 0.00 C ATOM 966 O LEU A 59 149.373 -0.277 9.363 1.00 0.00 O ATOM 967 CB LEU A 59 151.218 -2.703 8.083 1.00 0.00 C ATOM 968 CG LEU A 59 150.501 -2.294 6.794 1.00 0.00 C ATOM 969 CD1 LEU A 59 151.370 -1.355 5.969 1.00 0.00 C ATOM 970 CD2 LEU A 59 150.116 -3.523 5.982 1.00 0.00 C ATOM 0 H LEU A 59 152.655 -2.933 10.087 1.00 0.00 H new ATOM 0 HA LEU A 59 151.746 -0.688 8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 59 152.207 -3.082 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 59 150.670 -3.526 8.541 1.00 0.00 H new ATOM 0 HG LEU A 59 149.588 -1.763 7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 59 150.841 -1.077 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 59 151.590 -0.459 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 59 152.302 -1.856 5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 59 149.607 -3.212 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 59 151.014 -4.084 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 59 149.451 -4.154 6.571 1.00 0.00 H new ATOM 982 N ASP A 60 149.595 -2.084 10.699 1.00 0.00 N ATOM 983 CA ASP A 60 148.315 -1.886 11.382 1.00 0.00 C ATOM 984 C ASP A 60 148.294 -0.550 12.119 1.00 0.00 C ATOM 985 O ASP A 60 147.305 0.184 12.059 1.00 0.00 O ATOM 986 CB ASP A 60 148.044 -3.038 12.356 1.00 0.00 C ATOM 987 CG ASP A 60 147.299 -4.196 11.710 1.00 0.00 C ATOM 988 OD1 ASP A 60 147.489 -4.431 10.495 1.00 0.00 O ATOM 989 OD2 ASP A 60 146.524 -4.868 12.421 1.00 0.00 O ATOM 0 H ASP A 60 150.121 -2.897 11.020 1.00 0.00 H new ATOM 0 HA ASP A 60 147.526 -1.873 10.630 1.00 0.00 H new ATOM 0 HB2 ASP A 60 148.991 -3.400 12.756 1.00 0.00 H new ATOM 0 HB3 ASP A 60 147.464 -2.665 13.200 1.00 0.00 H new ATOM 994 N LYS A 61 149.398 -0.230 12.798 1.00 0.00 N ATOM 995 CA LYS A 61 149.509 1.029 13.528 1.00 0.00 C ATOM 996 C LYS A 61 149.418 2.215 12.566 1.00 0.00 C ATOM 997 O LYS A 61 148.771 3.217 12.868 1.00 0.00 O ATOM 998 CB LYS A 61 150.829 1.082 14.308 1.00 0.00 C ATOM 999 CG LYS A 61 150.635 1.167 15.813 1.00 0.00 C ATOM 1000 CD LYS A 61 151.816 0.575 16.565 1.00 0.00 C ATOM 1001 CE LYS A 61 151.360 -0.207 17.787 1.00 0.00 C ATOM 1002 NZ LYS A 61 152.187 -1.426 18.011 1.00 0.00 N ATOM 0 H LYS A 61 150.224 -0.825 12.856 1.00 0.00 H new ATOM 0 HA LYS A 61 148.682 1.089 14.236 1.00 0.00 H new ATOM 0 HB2 LYS A 61 151.417 0.195 14.074 1.00 0.00 H new ATOM 0 HB3 LYS A 61 151.406 1.944 13.974 1.00 0.00 H new ATOM 0 HG2 LYS A 61 150.503 2.209 16.105 1.00 0.00 H new ATOM 0 HG3 LYS A 61 149.723 0.639 16.093 1.00 0.00 H new ATOM 0 HD2 LYS A 61 152.380 -0.080 15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 61 152.490 1.374 16.873 1.00 0.00 H new ATOM 0 HE2 LYS A 61 151.413 0.433 18.667 1.00 0.00 H new ATOM 0 HE3 LYS A 61 150.316 -0.495 17.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 151.982 -1.817 18.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 151.962 -2.136 17.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 153.195 -1.177 17.952 1.00 0.00 H new ATOM 1016 N ALA A 62 150.063 2.089 11.400 1.00 0.00 N ATOM 1017 CA ALA A 62 150.048 3.148 10.389 1.00 0.00 C ATOM 1018 C ALA A 62 148.631 3.419 9.875 1.00 0.00 C ATOM 1019 O ALA A 62 148.238 4.576 9.714 1.00 0.00 O ATOM 1020 CB ALA A 62 150.963 2.785 9.227 1.00 0.00 C ATOM 0 H ALA A 62 150.601 1.264 11.135 1.00 0.00 H new ATOM 0 HA ALA A 62 150.413 4.059 10.863 1.00 0.00 H new ATOM 0 HB1 ALA A 62 150.941 3.582 8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 62 151.982 2.658 9.592 1.00 0.00 H new ATOM 0 HB3 ALA A 62 150.622 1.855 8.772 1.00 0.00 H new ATOM 1026 N ILE A 63 147.868 2.352 9.622 1.00 0.00 N ATOM 1027 CA ILE A 63 146.495 2.491 9.131 1.00 0.00 C ATOM 1028 C ILE A 63 145.619 3.202 10.161 1.00 0.00 C ATOM 1029 O ILE A 63 144.841 4.093 9.813 1.00 0.00 O ATOM 1030 CB ILE A 63 145.856 1.123 8.784 1.00 0.00 C ATOM 1031 CG1 ILE A 63 146.760 0.330 7.833 1.00 0.00 C ATOM 1032 CG2 ILE A 63 144.475 1.320 8.163 1.00 0.00 C ATOM 1033 CD1 ILE A 63 146.683 -1.170 8.028 1.00 0.00 C ATOM 0 H ILE A 63 148.176 1.388 9.748 1.00 0.00 H new ATOM 0 HA ILE A 63 146.551 3.086 8.219 1.00 0.00 H new ATOM 0 HB ILE A 63 145.744 0.554 9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 63 146.488 0.568 6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 63 147.792 0.653 7.973 1.00 0.00 H new ATOM 0 HG21 ILE A 63 144.041 0.349 7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 63 143.830 1.843 8.869 1.00 0.00 H new ATOM 0 HG23 ILE A 63 144.567 1.909 7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 63 147.349 -1.664 7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 63 146.984 -1.421 9.045 1.00 0.00 H new ATOM 0 HD13 ILE A 63 145.660 -1.507 7.859 1.00 0.00 H new ATOM 1045 N ASP A 64 145.757 2.807 11.428 1.00 0.00 N ATOM 1046 CA ASP A 64 144.980 3.410 12.510 1.00 0.00 C ATOM 1047 C ASP A 64 145.171 4.927 12.551 1.00 0.00 C ATOM 1048 O ASP A 64 144.204 5.675 12.703 1.00 0.00 O ATOM 1049 CB ASP A 64 145.370 2.795 13.859 1.00 0.00 C ATOM 1050 CG ASP A 64 144.241 2.854 14.872 1.00 0.00 C ATOM 1051 OD1 ASP A 64 143.130 2.372 14.559 1.00 0.00 O ATOM 1052 OD2 ASP A 64 144.468 3.379 15.982 1.00 0.00 O ATOM 0 H ASP A 64 146.399 2.073 11.729 1.00 0.00 H new ATOM 0 HA ASP A 64 143.927 3.204 12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 64 145.666 1.757 13.709 1.00 0.00 H new ATOM 0 HB3 ASP A 64 146.239 3.320 14.257 1.00 0.00 H new ATOM 1057 N ILE A 65 146.421 5.375 12.403 1.00 0.00 N ATOM 1058 CA ILE A 65 146.730 6.806 12.414 1.00 0.00 C ATOM 1059 C ILE A 65 146.173 7.495 11.167 1.00 0.00 C ATOM 1060 O ILE A 65 145.626 8.596 11.252 1.00 0.00 O ATOM 1061 CB ILE A 65 148.252 7.076 12.495 1.00 0.00 C ATOM 1062 CG1 ILE A 65 148.880 6.319 13.670 1.00 0.00 C ATOM 1063 CG2 ILE A 65 148.520 8.572 12.621 1.00 0.00 C ATOM 1064 CD1 ILE A 65 150.356 6.031 13.483 1.00 0.00 C ATOM 0 H ILE A 65 147.232 4.770 12.275 1.00 0.00 H new ATOM 0 HA ILE A 65 146.257 7.215 13.307 1.00 0.00 H new ATOM 0 HB ILE A 65 148.711 6.715 11.575 1.00 0.00 H new ATOM 0 HG12 ILE A 65 148.744 6.901 14.581 1.00 0.00 H new ATOM 0 HG13 ILE A 65 148.349 5.378 13.811 1.00 0.00 H new ATOM 0 HG21 ILE A 65 149.595 8.746 12.677 1.00 0.00 H new ATOM 0 HG22 ILE A 65 148.114 9.089 11.752 1.00 0.00 H new ATOM 0 HG23 ILE A 65 148.044 8.952 13.525 1.00 0.00 H new ATOM 0 HD11 ILE A 65 150.735 5.493 14.352 1.00 0.00 H new ATOM 0 HD12 ILE A 65 150.498 5.423 12.590 1.00 0.00 H new ATOM 0 HD13 ILE A 65 150.899 6.970 13.372 1.00 0.00 H new ATOM 1076 N LEU A 66 146.313 6.838 10.013 1.00 0.00 N ATOM 1077 CA LEU A 66 145.822 7.386 8.750 1.00 0.00 C ATOM 1078 C LEU A 66 144.308 7.601 8.797 1.00 0.00 C ATOM 1079 O LEU A 66 143.815 8.648 8.377 1.00 0.00 O ATOM 1080 CB LEU A 66 146.180 6.460 7.584 1.00 0.00 C ATOM 1081 CG LEU A 66 146.402 7.165 6.243 1.00 0.00 C ATOM 1082 CD1 LEU A 66 147.862 7.568 6.087 1.00 0.00 C ATOM 1083 CD2 LEU A 66 145.964 6.272 5.089 1.00 0.00 C ATOM 0 H LEU A 66 146.762 5.926 9.929 1.00 0.00 H new ATOM 0 HA LEU A 66 146.305 8.351 8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 66 147.084 5.909 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 66 145.383 5.726 7.464 1.00 0.00 H new ATOM 0 HG LEU A 66 145.793 8.069 6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 66 148.001 8.068 5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 66 148.140 8.246 6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 66 148.491 6.679 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 66 146.130 6.790 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 66 146.544 5.349 5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 66 144.905 6.037 5.193 1.00 0.00 H new ATOM 1095 N ASP A 67 143.580 6.606 9.314 1.00 0.00 N ATOM 1096 CA ASP A 67 142.121 6.692 9.419 1.00 0.00 C ATOM 1097 C ASP A 67 141.702 7.899 10.262 1.00 0.00 C ATOM 1098 O ASP A 67 140.752 8.604 9.918 1.00 0.00 O ATOM 1099 CB ASP A 67 141.542 5.405 10.024 1.00 0.00 C ATOM 1100 CG ASP A 67 140.064 5.216 9.714 1.00 0.00 C ATOM 1101 OD1 ASP A 67 139.652 5.478 8.562 1.00 0.00 O ATOM 1102 OD2 ASP A 67 139.319 4.803 10.626 1.00 0.00 O ATOM 0 H ASP A 67 143.976 5.734 9.665 1.00 0.00 H new ATOM 0 HA ASP A 67 141.723 6.817 8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 67 142.100 4.549 9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 67 141.682 5.423 11.105 1.00 0.00 H new ATOM 1107 N ARG A 68 142.420 8.128 11.365 1.00 0.00 N ATOM 1108 CA ARG A 68 142.131 9.251 12.258 1.00 0.00 C ATOM 1109 C ARG A 68 142.515 10.591 11.622 1.00 0.00 C ATOM 1110 O ARG A 68 141.861 11.608 11.863 1.00 0.00 O ATOM 1111 CB ARG A 68 142.875 9.076 13.587 1.00 0.00 C ATOM 1112 CG ARG A 68 142.027 9.401 14.807 1.00 0.00 C ATOM 1113 CD ARG A 68 142.619 8.810 16.078 1.00 0.00 C ATOM 1114 NE ARG A 68 143.916 9.398 16.413 1.00 0.00 N ATOM 1115 CZ ARG A 68 144.073 10.588 17.006 1.00 0.00 C ATOM 1116 NH1 ARG A 68 143.015 11.334 17.321 1.00 0.00 N ATOM 1117 NH2 ARG A 68 145.295 11.033 17.285 1.00 0.00 N ATOM 0 H ARG A 68 143.206 7.549 11.660 1.00 0.00 H new ATOM 0 HA ARG A 68 141.056 9.259 12.440 1.00 0.00 H new ATOM 0 HB2 ARG A 68 143.228 8.047 13.664 1.00 0.00 H new ATOM 0 HB3 ARG A 68 143.757 9.716 13.587 1.00 0.00 H new ATOM 0 HG2 ARG A 68 141.942 10.482 14.914 1.00 0.00 H new ATOM 0 HG3 ARG A 68 141.018 9.015 14.662 1.00 0.00 H new ATOM 0 HD2 ARG A 68 141.927 8.967 16.905 1.00 0.00 H new ATOM 0 HD3 ARG A 68 142.732 7.733 15.957 1.00 0.00 H new ATOM 0 HE ARG A 68 144.755 8.867 16.180 1.00 0.00 H new ATOM 0 HH11 ARG A 68 142.075 11.000 17.111 1.00 0.00 H new ATOM 0 HH12 ARG A 68 143.145 12.239 17.773 1.00 0.00 H new ATOM 0 HH21 ARG A 68 146.110 10.468 17.047 1.00 0.00 H new ATOM 0 HH22 ARG A 68 145.417 11.939 17.737 1.00 0.00 H new ATOM 1131 N SER A 69 143.580 10.589 10.816 1.00 0.00 N ATOM 1132 CA SER A 69 144.051 11.806 10.154 1.00 0.00 C ATOM 1133 C SER A 69 143.255 12.087 8.874 1.00 0.00 C ATOM 1134 O SER A 69 143.474 11.450 7.840 1.00 0.00 O ATOM 1135 CB SER A 69 145.549 11.692 9.835 1.00 0.00 C ATOM 1136 OG SER A 69 145.811 10.622 8.936 1.00 0.00 O ATOM 0 H SER A 69 144.132 9.757 10.607 1.00 0.00 H new ATOM 0 HA SER A 69 143.896 12.642 10.836 1.00 0.00 H new ATOM 0 HB2 SER A 69 145.902 12.628 9.401 1.00 0.00 H new ATOM 0 HB3 SER A 69 146.108 11.538 10.758 1.00 0.00 H new ATOM 0 HG SER A 69 145.027 10.474 8.367 1.00 0.00 H new ATOM 1142 N SER A 70 142.332 13.047 8.954 1.00 0.00 N ATOM 1143 CA SER A 70 141.501 13.423 7.807 1.00 0.00 C ATOM 1144 C SER A 70 142.276 14.307 6.825 1.00 0.00 C ATOM 1145 O SER A 70 142.120 14.175 5.611 1.00 0.00 O ATOM 1146 CB SER A 70 140.237 14.151 8.279 1.00 0.00 C ATOM 1147 OG SER A 70 139.450 13.322 9.121 1.00 0.00 O ATOM 0 H SER A 70 142.140 13.580 9.802 1.00 0.00 H new ATOM 0 HA SER A 70 141.215 12.507 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 70 140.516 15.058 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 70 139.648 14.460 7.415 1.00 0.00 H new ATOM 0 HG SER A 70 138.651 13.812 9.409 1.00 0.00 H new ATOM 1153 N SER A 71 143.109 15.209 7.357 1.00 0.00 N ATOM 1154 CA SER A 71 143.908 16.116 6.522 1.00 0.00 C ATOM 1155 C SER A 71 144.882 15.344 5.624 1.00 0.00 C ATOM 1156 O SER A 71 145.172 15.767 4.504 1.00 0.00 O ATOM 1157 CB SER A 71 144.678 17.113 7.396 1.00 0.00 C ATOM 1158 OG SER A 71 145.091 16.518 8.617 1.00 0.00 O ATOM 0 H SER A 71 143.248 15.331 8.360 1.00 0.00 H new ATOM 0 HA SER A 71 143.218 16.663 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 71 145.550 17.477 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 71 144.049 17.978 7.605 1.00 0.00 H new ATOM 0 HG SER A 71 145.581 17.177 9.153 1.00 0.00 H new ATOM 1164 N MET A 72 145.382 14.212 6.124 1.00 0.00 N ATOM 1165 CA MET A 72 146.318 13.377 5.373 1.00 0.00 C ATOM 1166 C MET A 72 145.663 12.826 4.099 1.00 0.00 C ATOM 1167 O MET A 72 144.449 12.615 4.056 1.00 0.00 O ATOM 1168 CB MET A 72 146.807 12.230 6.264 1.00 0.00 C ATOM 1169 CG MET A 72 147.858 11.345 5.617 1.00 0.00 C ATOM 1170 SD MET A 72 149.380 12.234 5.238 1.00 0.00 S ATOM 1171 CE MET A 72 150.397 10.900 4.612 1.00 0.00 C ATOM 0 H MET A 72 145.152 13.852 7.050 1.00 0.00 H new ATOM 0 HA MET A 72 147.169 13.987 5.071 1.00 0.00 H new ATOM 0 HB2 MET A 72 147.216 12.648 7.184 1.00 0.00 H new ATOM 0 HB3 MET A 72 145.953 11.614 6.546 1.00 0.00 H new ATOM 0 HG2 MET A 72 148.085 10.512 6.282 1.00 0.00 H new ATOM 0 HG3 MET A 72 147.453 10.919 4.699 1.00 0.00 H new ATOM 0 HE1 MET A 72 151.431 11.236 4.534 1.00 0.00 H new ATOM 0 HE2 MET A 72 150.342 10.051 5.293 1.00 0.00 H new ATOM 0 HE3 MET A 72 150.038 10.600 3.628 1.00 0.00 H new ATOM 1181 N LYS A 73 146.477 12.597 3.064 1.00 0.00 N ATOM 1182 CA LYS A 73 145.981 12.076 1.792 1.00 0.00 C ATOM 1183 C LYS A 73 146.773 10.839 1.369 1.00 0.00 C ATOM 1184 O LYS A 73 147.921 10.946 0.930 1.00 0.00 O ATOM 1185 CB LYS A 73 146.062 13.155 0.705 1.00 0.00 C ATOM 1186 CG LYS A 73 145.307 14.430 1.054 1.00 0.00 C ATOM 1187 CD LYS A 73 144.440 14.909 -0.101 1.00 0.00 C ATOM 1188 CE LYS A 73 144.931 16.238 -0.660 1.00 0.00 C ATOM 1189 NZ LYS A 73 145.766 16.059 -1.882 1.00 0.00 N ATOM 0 H LYS A 73 147.483 12.765 3.085 1.00 0.00 H new ATOM 0 HA LYS A 73 144.938 11.789 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 73 147.109 13.400 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 73 145.665 12.751 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 73 144.681 14.254 1.929 1.00 0.00 H new ATOM 0 HG3 LYS A 73 146.018 15.211 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 73 144.441 14.159 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 73 143.409 15.015 0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 73 144.075 16.870 -0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 73 145.511 16.759 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 146.078 16.989 -2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 146.597 15.478 -1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 145.206 15.585 -2.619 1.00 0.00 H new ATOM 1203 N SER A 74 146.147 9.666 1.516 1.00 0.00 N ATOM 1204 CA SER A 74 146.774 8.385 1.163 1.00 0.00 C ATOM 1205 C SER A 74 147.966 8.083 2.079 1.00 0.00 C ATOM 1206 O SER A 74 148.271 8.853 2.991 1.00 0.00 O ATOM 1207 CB SER A 74 147.223 8.379 -0.305 1.00 0.00 C ATOM 1208 OG SER A 74 146.184 8.812 -1.166 1.00 0.00 O ATOM 0 H SER A 74 145.198 9.576 1.880 1.00 0.00 H new ATOM 0 HA SER A 74 146.026 7.604 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 74 148.090 9.028 -0.424 1.00 0.00 H new ATOM 0 HB3 SER A 74 147.536 7.374 -0.587 1.00 0.00 H new ATOM 0 HG SER A 74 146.501 8.799 -2.093 1.00 0.00 H new ATOM 1214 N LEU A 75 148.634 6.954 1.831 1.00 0.00 N ATOM 1215 CA LEU A 75 149.787 6.553 2.633 1.00 0.00 C ATOM 1216 C LEU A 75 151.093 6.920 1.933 1.00 0.00 C ATOM 1217 O LEU A 75 151.332 6.504 0.797 1.00 0.00 O ATOM 1218 CB LEU A 75 149.751 5.046 2.905 1.00 0.00 C ATOM 1219 CG LEU A 75 149.254 4.646 4.297 1.00 0.00 C ATOM 1220 CD1 LEU A 75 148.299 3.464 4.204 1.00 0.00 C ATOM 1221 CD2 LEU A 75 150.429 4.320 5.210 1.00 0.00 C ATOM 0 H LEU A 75 148.395 6.304 1.082 1.00 0.00 H new ATOM 0 HA LEU A 75 149.738 7.089 3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 75 149.112 4.574 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 75 150.754 4.644 2.766 1.00 0.00 H new ATOM 0 HG LEU A 75 148.712 5.489 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 75 147.956 3.194 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 75 147.442 3.736 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 75 148.814 2.615 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 75 150.057 4.038 6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 75 151.000 3.493 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 75 151.072 5.195 5.302 1.00 0.00 H new ATOM 1233 N ARG A 76 151.935 7.696 2.615 1.00 0.00 N ATOM 1234 CA ARG A 76 153.218 8.108 2.052 1.00 0.00 C ATOM 1235 C ARG A 76 154.320 7.129 2.451 1.00 0.00 C ATOM 1236 O ARG A 76 154.753 7.101 3.605 1.00 0.00 O ATOM 1237 CB ARG A 76 153.580 9.526 2.511 1.00 0.00 C ATOM 1238 CG ARG A 76 153.828 10.498 1.365 1.00 0.00 C ATOM 1239 CD ARG A 76 155.287 10.491 0.930 1.00 0.00 C ATOM 1240 NE ARG A 76 155.439 10.801 -0.492 1.00 0.00 N ATOM 1241 CZ ARG A 76 155.250 9.916 -1.478 1.00 0.00 C ATOM 1242 NH1 ARG A 76 154.894 8.662 -1.201 1.00 0.00 N ATOM 1243 NH2 ARG A 76 155.417 10.288 -2.742 1.00 0.00 N ATOM 0 H ARG A 76 151.752 8.050 3.554 1.00 0.00 H new ATOM 0 HA ARG A 76 153.127 8.106 0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 76 152.774 9.913 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 76 154.472 9.479 3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 76 153.194 10.233 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 76 153.544 11.504 1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 76 155.844 11.218 1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 76 155.722 9.513 1.136 1.00 0.00 H new ATOM 0 HE ARG A 76 155.706 11.752 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 76 154.764 8.371 -0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 76 154.752 7.993 -1.958 1.00 0.00 H new ATOM 0 HH21 ARG A 76 155.689 11.247 -2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 76 155.273 9.615 -3.495 1.00 0.00 H new ATOM 1257 N ILE A 77 154.766 6.324 1.486 1.00 0.00 N ATOM 1258 CA ILE A 77 155.815 5.339 1.728 1.00 0.00 C ATOM 1259 C ILE A 77 156.938 5.478 0.700 1.00 0.00 C ATOM 1260 O ILE A 77 156.682 5.545 -0.506 1.00 0.00 O ATOM 1261 CB ILE A 77 155.257 3.895 1.684 1.00 0.00 C ATOM 1262 CG1 ILE A 77 154.035 3.757 2.600 1.00 0.00 C ATOM 1263 CG2 ILE A 77 156.332 2.889 2.079 1.00 0.00 C ATOM 1264 CD1 ILE A 77 153.042 2.716 2.130 1.00 0.00 C ATOM 0 H ILE A 77 154.415 6.337 0.528 1.00 0.00 H new ATOM 0 HA ILE A 77 156.212 5.530 2.725 1.00 0.00 H new ATOM 0 HB ILE A 77 154.946 3.684 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 77 154.371 3.499 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 77 153.532 4.722 2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 77 155.919 1.881 2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 77 157.171 2.963 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 77 156.676 3.103 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 77 152.204 2.673 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 77 152.677 2.983 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 77 153.529 1.742 2.087 1.00 0.00 H new ATOM 1276 N LEU A 78 158.180 5.519 1.184 1.00 0.00 N ATOM 1277 CA LEU A 78 159.344 5.648 0.311 1.00 0.00 C ATOM 1278 C LEU A 78 160.033 4.297 0.133 1.00 0.00 C ATOM 1279 O LEU A 78 160.400 3.645 1.114 1.00 0.00 O ATOM 1280 CB LEU A 78 160.331 6.674 0.883 1.00 0.00 C ATOM 1281 CG LEU A 78 160.080 8.133 0.474 1.00 0.00 C ATOM 1282 CD1 LEU A 78 160.274 8.315 -1.025 1.00 0.00 C ATOM 1283 CD2 LEU A 78 158.686 8.584 0.891 1.00 0.00 C ATOM 0 H LEU A 78 158.404 5.465 2.178 1.00 0.00 H new ATOM 0 HA LEU A 78 159.004 5.996 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 78 160.304 6.610 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 78 161.338 6.396 0.572 1.00 0.00 H new ATOM 0 HG LEU A 78 160.808 8.756 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 78 160.091 9.356 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 78 161.295 8.045 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 78 159.575 7.674 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 78 158.534 9.620 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 78 157.940 7.952 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 78 158.586 8.502 1.973 1.00 0.00 H new ATOM 1295 N LEU A 79 160.197 3.878 -1.122 1.00 0.00 N ATOM 1296 CA LEU A 79 160.834 2.597 -1.432 1.00 0.00 C ATOM 1297 C LEU A 79 162.331 2.771 -1.686 1.00 0.00 C ATOM 1298 O LEU A 79 162.744 3.666 -2.427 1.00 0.00 O ATOM 1299 CB LEU A 79 160.171 1.953 -2.655 1.00 0.00 C ATOM 1300 CG LEU A 79 158.653 1.784 -2.559 1.00 0.00 C ATOM 1301 CD1 LEU A 79 158.044 1.635 -3.946 1.00 0.00 C ATOM 1302 CD2 LEU A 79 158.303 0.587 -1.685 1.00 0.00 C ATOM 0 H LEU A 79 159.898 4.407 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 79 160.706 1.944 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 79 160.398 2.558 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 79 160.620 0.973 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 79 158.235 2.678 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 79 156.964 1.516 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 79 158.264 2.524 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 79 158.467 0.759 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 79 157.220 0.482 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 79 158.733 -0.317 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 79 158.706 0.738 -0.683 1.00 0.00 H new ATOM 1314 N LEU A 80 163.140 1.905 -1.070 1.00 0.00 N ATOM 1315 CA LEU A 80 164.595 1.958 -1.230 1.00 0.00 C ATOM 1316 C LEU A 80 165.195 0.556 -1.337 1.00 0.00 C ATOM 1317 O LEU A 80 164.827 -0.346 -0.582 1.00 0.00 O ATOM 1318 CB LEU A 80 165.236 2.718 -0.064 1.00 0.00 C ATOM 1319 CG LEU A 80 164.753 2.313 1.332 1.00 0.00 C ATOM 1320 CD1 LEU A 80 165.938 2.011 2.237 1.00 0.00 C ATOM 1321 CD2 LEU A 80 163.881 3.409 1.931 1.00 0.00 C ATOM 0 H LEU A 80 162.812 1.159 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 80 164.807 2.489 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 80 166.316 2.577 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 80 165.048 3.783 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 80 164.152 1.408 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 80 165.578 1.725 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 80 166.521 1.194 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 80 166.566 2.898 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 80 163.546 3.106 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 80 164.457 4.331 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 80 163.015 3.576 1.291 1.00 0.00 H new ATOM 1333 N SER A 81 166.123 0.387 -2.281 1.00 0.00 N ATOM 1334 CA SER A 81 166.786 -0.902 -2.503 1.00 0.00 C ATOM 1335 C SER A 81 167.668 -1.290 -1.316 1.00 0.00 C ATOM 1336 O SER A 81 168.181 -0.426 -0.602 1.00 0.00 O ATOM 1337 CB SER A 81 167.636 -0.850 -3.777 1.00 0.00 C ATOM 1338 OG SER A 81 168.109 0.465 -4.031 1.00 0.00 O ATOM 0 H SER A 81 166.434 1.130 -2.907 1.00 0.00 H new ATOM 0 HA SER A 81 166.008 -1.657 -2.613 1.00 0.00 H new ATOM 0 HB2 SER A 81 168.482 -1.530 -3.680 1.00 0.00 H new ATOM 0 HB3 SER A 81 167.045 -1.196 -4.625 1.00 0.00 H new ATOM 0 HG SER A 81 168.649 0.466 -4.849 1.00 0.00 H new ATOM 1344 N GLN A 82 167.843 -2.597 -1.115 1.00 0.00 N ATOM 1345 CA GLN A 82 168.665 -3.106 -0.018 1.00 0.00 C ATOM 1346 C GLN A 82 169.929 -3.813 -0.539 1.00 0.00 C ATOM 1347 O GLN A 82 170.411 -4.768 0.074 1.00 0.00 O ATOM 1348 CB GLN A 82 167.833 -4.059 0.854 1.00 0.00 C ATOM 1349 CG GLN A 82 168.462 -4.361 2.209 1.00 0.00 C ATOM 1350 CD GLN A 82 167.768 -3.646 3.356 1.00 0.00 C ATOM 1351 OE1 GLN A 82 167.348 -4.272 4.329 1.00 0.00 O ATOM 1352 NE2 GLN A 82 167.650 -2.327 3.250 1.00 0.00 N ATOM 0 H GLN A 82 167.426 -3.322 -1.698 1.00 0.00 H new ATOM 0 HA GLN A 82 168.992 -2.259 0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 82 166.846 -3.624 1.011 1.00 0.00 H new ATOM 0 HB3 GLN A 82 167.687 -4.995 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 82 168.432 -5.436 2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 82 169.512 -4.071 2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 82 168.012 -1.847 2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 82 167.197 -1.794 3.993 1.00 0.00 H new ATOM 1361 N ASP A 83 170.473 -3.331 -1.663 1.00 0.00 N ATOM 1362 CA ASP A 83 171.685 -3.914 -2.245 1.00 0.00 C ATOM 1363 C ASP A 83 172.235 -3.035 -3.368 1.00 0.00 C ATOM 1364 O ASP A 83 171.470 -2.461 -4.148 1.00 0.00 O ATOM 1365 CB ASP A 83 171.406 -5.328 -2.773 1.00 0.00 C ATOM 1366 CG ASP A 83 172.453 -6.338 -2.330 1.00 0.00 C ATOM 1367 OD1 ASP A 83 172.874 -6.289 -1.153 1.00 0.00 O ATOM 1368 OD2 ASP A 83 172.851 -7.180 -3.161 1.00 0.00 O ATOM 0 H ASP A 83 170.094 -2.541 -2.185 1.00 0.00 H new ATOM 0 HA ASP A 83 172.436 -3.974 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 83 170.425 -5.653 -2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 83 171.369 -5.304 -3.862 1.00 0.00 H new ATOM 1373 N ARG A 84 173.566 -2.934 -3.444 1.00 0.00 N ATOM 1374 CA ARG A 84 174.224 -2.123 -4.471 1.00 0.00 C ATOM 1375 C ARG A 84 174.689 -2.993 -5.645 1.00 0.00 C ATOM 1376 O ARG A 84 175.890 -3.158 -5.877 1.00 0.00 O ATOM 1377 CB ARG A 84 175.409 -1.344 -3.872 1.00 0.00 C ATOM 1378 CG ARG A 84 176.447 -2.217 -3.178 1.00 0.00 C ATOM 1379 CD ARG A 84 176.612 -1.833 -1.715 1.00 0.00 C ATOM 1380 NE ARG A 84 177.502 -2.749 -1.003 1.00 0.00 N ATOM 1381 CZ ARG A 84 178.830 -2.779 -1.158 1.00 0.00 C ATOM 1382 NH1 ARG A 84 179.436 -1.934 -1.993 1.00 0.00 N ATOM 1383 NH2 ARG A 84 179.555 -3.660 -0.472 1.00 0.00 N ATOM 0 H ARG A 84 174.208 -3.404 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 84 173.496 -1.405 -4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 84 175.898 -0.781 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 84 175.026 -0.617 -3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 84 176.150 -3.263 -3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 84 177.404 -2.122 -3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 84 177.008 -0.819 -1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 84 175.636 -1.826 -1.230 1.00 0.00 H new ATOM 0 HE ARG A 84 177.083 -3.407 -0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 84 178.886 -1.256 -2.521 1.00 0.00 H new ATOM 0 HH12 ARG A 84 180.449 -1.965 -2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 84 179.097 -4.309 0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 84 180.568 -3.687 -0.587 1.00 0.00 H new ATOM 1397 N ASN A 85 173.726 -3.546 -6.385 1.00 0.00 N ATOM 1398 CA ASN A 85 174.031 -4.395 -7.533 1.00 0.00 C ATOM 1399 C ASN A 85 172.945 -4.270 -8.605 1.00 0.00 C ATOM 1400 O ASN A 85 172.079 -5.138 -8.733 1.00 0.00 O ATOM 1401 CB ASN A 85 174.186 -5.858 -7.087 1.00 0.00 C ATOM 1402 CG ASN A 85 174.717 -6.760 -8.191 1.00 0.00 C ATOM 1403 OD1 ASN A 85 174.073 -7.737 -8.570 1.00 0.00 O ATOM 1404 ND2 ASN A 85 175.899 -6.440 -8.711 1.00 0.00 N ATOM 0 H ASN A 85 172.729 -3.420 -6.208 1.00 0.00 H new ATOM 0 HA ASN A 85 174.974 -4.062 -7.967 1.00 0.00 H new ATOM 0 HB2 ASN A 85 174.861 -5.902 -6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 85 173.220 -6.234 -6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 85 176.302 -7.013 -9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 85 176.402 -5.621 -8.369 1.00 0.00 H new ATOM 1411 N LEU A 86 173.000 -3.180 -9.373 1.00 0.00 N ATOM 1412 CA LEU A 86 172.025 -2.937 -10.439 1.00 0.00 C ATOM 1413 C LEU A 86 172.602 -2.011 -11.516 1.00 0.00 C ATOM 1414 O LEU A 86 171.919 -1.111 -12.011 1.00 0.00 O ATOM 1415 CB LEU A 86 170.730 -2.347 -9.860 1.00 0.00 C ATOM 1416 CG LEU A 86 170.866 -0.965 -9.212 1.00 0.00 C ATOM 1417 CD1 LEU A 86 169.748 -0.046 -9.682 1.00 0.00 C ATOM 1418 CD2 LEU A 86 170.866 -1.084 -7.694 1.00 0.00 C ATOM 0 H LEU A 86 173.708 -2.452 -9.277 1.00 0.00 H new ATOM 0 HA LEU A 86 171.793 -3.894 -10.907 1.00 0.00 H new ATOM 0 HB2 LEU A 86 169.992 -2.283 -10.659 1.00 0.00 H new ATOM 0 HB3 LEU A 86 170.336 -3.040 -9.117 1.00 0.00 H new ATOM 0 HG LEU A 86 171.818 -0.530 -9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 86 169.859 0.931 -9.213 1.00 0.00 H new ATOM 0 HD12 LEU A 86 169.798 0.064 -10.765 1.00 0.00 H new ATOM 0 HD13 LEU A 86 168.785 -0.474 -9.405 1.00 0.00 H new ATOM 0 HD21 LEU A 86 170.963 -0.093 -7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 86 169.932 -1.538 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 86 171.703 -1.706 -7.378 1.00 0.00 H new ATOM 1430 N GLU A 87 173.866 -2.245 -11.876 1.00 0.00 N ATOM 1431 CA GLU A 87 174.541 -1.441 -12.893 1.00 0.00 C ATOM 1432 C GLU A 87 175.591 -2.271 -13.633 1.00 0.00 C ATOM 1433 O GLU A 87 175.499 -2.462 -14.848 1.00 0.00 O ATOM 1434 CB GLU A 87 175.191 -0.210 -12.252 1.00 0.00 C ATOM 1435 CG GLU A 87 174.961 1.075 -13.031 1.00 0.00 C ATOM 1436 CD GLU A 87 173.866 1.935 -12.429 1.00 0.00 C ATOM 1437 OE1 GLU A 87 174.102 2.535 -11.358 1.00 0.00 O ATOM 1438 OE2 GLU A 87 172.773 2.008 -13.027 1.00 0.00 O ATOM 0 H GLU A 87 174.442 -2.986 -11.477 1.00 0.00 H new ATOM 0 HA GLU A 87 173.796 -1.109 -13.616 1.00 0.00 H new ATOM 0 HB2 GLU A 87 174.800 -0.088 -11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 87 176.263 -0.382 -12.160 1.00 0.00 H new ATOM 0 HG2 GLU A 87 175.889 1.646 -13.065 1.00 0.00 H new ATOM 0 HG3 GLU A 87 174.700 0.830 -14.060 1.00 0.00 H new ATOM 1445 N HIS A 88 176.585 -2.767 -12.893 1.00 0.00 N ATOM 1446 CA HIS A 88 177.647 -3.580 -13.481 1.00 0.00 C ATOM 1447 C HIS A 88 177.250 -5.055 -13.503 1.00 0.00 C ATOM 1448 O HIS A 88 177.306 -5.736 -12.477 1.00 0.00 O ATOM 1449 CB HIS A 88 178.953 -3.400 -12.700 1.00 0.00 C ATOM 1450 CG HIS A 88 180.168 -3.341 -13.574 1.00 0.00 C ATOM 1451 ND1 HIS A 88 180.488 -4.324 -14.489 1.00 0.00 N ATOM 1452 CD2 HIS A 88 181.143 -2.408 -13.671 1.00 0.00 C ATOM 1453 CE1 HIS A 88 181.607 -3.997 -15.109 1.00 0.00 C ATOM 1454 NE2 HIS A 88 182.024 -2.839 -14.631 1.00 0.00 N ATOM 0 H HIS A 88 176.675 -2.619 -11.888 1.00 0.00 H new ATOM 0 HA HIS A 88 177.801 -3.247 -14.507 1.00 0.00 H new ATOM 0 HB2 HIS A 88 178.893 -2.484 -12.113 1.00 0.00 H new ATOM 0 HB3 HIS A 88 179.062 -4.224 -11.995 1.00 0.00 H new ATOM 0 HD2 HIS A 88 181.215 -1.494 -13.100 1.00 0.00 H new ATOM 0 HE1 HIS A 88 182.097 -4.578 -15.876 1.00 0.00 H new ATOM 0 HE2 HIS A 88 182.865 -2.344 -14.927 1.00 0.00 H new ATOM 1463 N HIS A 89 176.848 -5.541 -14.677 1.00 0.00 N ATOM 1464 CA HIS A 89 176.440 -6.938 -14.831 1.00 0.00 C ATOM 1465 C HIS A 89 176.577 -7.400 -16.282 1.00 0.00 C ATOM 1466 O HIS A 89 176.131 -6.719 -17.208 1.00 0.00 O ATOM 1467 CB HIS A 89 174.996 -7.148 -14.340 1.00 0.00 C ATOM 1468 CG HIS A 89 174.021 -6.074 -14.744 1.00 0.00 C ATOM 1469 ND1 HIS A 89 172.811 -5.885 -14.107 1.00 0.00 N ATOM 1470 CD2 HIS A 89 174.076 -5.136 -15.722 1.00 0.00 C ATOM 1471 CE1 HIS A 89 172.165 -4.882 -14.678 1.00 0.00 C ATOM 1472 NE2 HIS A 89 172.912 -4.411 -15.658 1.00 0.00 N ATOM 0 H HIS A 89 176.796 -4.990 -15.534 1.00 0.00 H new ATOM 0 HA HIS A 89 177.107 -7.542 -14.216 1.00 0.00 H new ATOM 0 HB2 HIS A 89 174.636 -8.105 -14.718 1.00 0.00 H new ATOM 0 HB3 HIS A 89 175.005 -7.218 -13.252 1.00 0.00 H new ATOM 0 HD2 HIS A 89 174.885 -4.987 -16.421 1.00 0.00 H new ATOM 0 HE1 HIS A 89 171.192 -4.512 -14.391 1.00 0.00 H new ATOM 0 HE2 HIS A 89 172.665 -3.633 -16.270 1.00 0.00 H new ATOM 1481 N HIS A 90 177.196 -8.566 -16.470 1.00 0.00 N ATOM 1482 CA HIS A 90 177.393 -9.130 -17.805 1.00 0.00 C ATOM 1483 C HIS A 90 176.516 -10.368 -18.020 1.00 0.00 C ATOM 1484 O HIS A 90 175.987 -10.574 -19.113 1.00 0.00 O ATOM 1485 CB HIS A 90 178.866 -9.484 -18.029 1.00 0.00 C ATOM 1486 CG HIS A 90 179.465 -8.821 -19.232 1.00 0.00 C ATOM 1487 ND1 HIS A 90 179.263 -7.491 -19.538 1.00 0.00 N ATOM 1488 CD2 HIS A 90 180.264 -9.312 -20.210 1.00 0.00 C ATOM 1489 CE1 HIS A 90 179.909 -7.194 -20.651 1.00 0.00 C ATOM 1490 NE2 HIS A 90 180.525 -8.280 -21.078 1.00 0.00 N ATOM 0 H HIS A 90 177.570 -9.139 -15.713 1.00 0.00 H new ATOM 0 HA HIS A 90 177.098 -8.372 -18.531 1.00 0.00 H new ATOM 0 HB2 HIS A 90 179.438 -9.200 -17.145 1.00 0.00 H new ATOM 0 HB3 HIS A 90 178.959 -10.565 -18.136 1.00 0.00 H new ATOM 0 HD2 HIS A 90 180.628 -10.326 -20.292 1.00 0.00 H new ATOM 0 HE1 HIS A 90 179.930 -6.226 -21.130 1.00 0.00 H new ATOM 0 HE2 HIS A 90 181.102 -8.343 -21.917 1.00 0.00 H new ATOM 1499 N HIS A 91 176.363 -11.187 -16.975 1.00 0.00 N ATOM 1500 CA HIS A 91 175.546 -12.398 -17.059 1.00 0.00 C ATOM 1501 C HIS A 91 174.077 -12.083 -16.772 1.00 0.00 C ATOM 1502 O HIS A 91 173.739 -11.595 -15.691 1.00 0.00 O ATOM 1503 CB HIS A 91 176.055 -13.457 -16.073 1.00 0.00 C ATOM 1504 CG HIS A 91 176.071 -14.852 -16.629 1.00 0.00 C ATOM 1505 ND1 HIS A 91 175.917 -15.975 -15.842 1.00 0.00 N ATOM 1506 CD2 HIS A 91 176.227 -15.304 -17.898 1.00 0.00 C ATOM 1507 CE1 HIS A 91 175.980 -17.055 -16.601 1.00 0.00 C ATOM 1508 NE2 HIS A 91 176.167 -16.675 -17.851 1.00 0.00 N ATOM 0 H HIS A 91 176.794 -11.033 -16.063 1.00 0.00 H new ATOM 0 HA HIS A 91 175.626 -12.790 -18.073 1.00 0.00 H new ATOM 0 HB2 HIS A 91 177.064 -13.191 -15.759 1.00 0.00 H new ATOM 0 HB3 HIS A 91 175.428 -13.439 -15.181 1.00 0.00 H new ATOM 0 HD2 HIS A 91 176.371 -14.699 -18.781 1.00 0.00 H new ATOM 0 HE1 HIS A 91 175.893 -18.075 -16.257 1.00 0.00 H new ATOM 0 HE2 HIS A 91 176.253 -17.299 -18.653 1.00 0.00 H new ATOM 1517 N HIS A 92 173.207 -12.367 -17.745 1.00 0.00 N ATOM 1518 CA HIS A 92 171.773 -12.117 -17.597 1.00 0.00 C ATOM 1519 C HIS A 92 171.073 -13.309 -16.939 1.00 0.00 C ATOM 1520 O HIS A 92 171.715 -14.307 -16.601 1.00 0.00 O ATOM 1521 CB HIS A 92 171.141 -11.821 -18.963 1.00 0.00 C ATOM 1522 CG HIS A 92 170.199 -10.655 -18.952 1.00 0.00 C ATOM 1523 ND1 HIS A 92 170.622 -9.342 -18.927 1.00 0.00 N ATOM 1524 CD2 HIS A 92 168.845 -10.611 -18.964 1.00 0.00 C ATOM 1525 CE1 HIS A 92 169.571 -8.542 -18.923 1.00 0.00 C ATOM 1526 NE2 HIS A 92 168.482 -9.287 -18.945 1.00 0.00 N ATOM 0 H HIS A 92 173.472 -12.770 -18.644 1.00 0.00 H new ATOM 0 HA HIS A 92 171.646 -11.248 -16.952 1.00 0.00 H new ATOM 0 HB2 HIS A 92 171.934 -11.629 -19.686 1.00 0.00 H new ATOM 0 HB3 HIS A 92 170.605 -12.706 -19.305 1.00 0.00 H new ATOM 0 HD2 HIS A 92 168.176 -11.459 -18.985 1.00 0.00 H new ATOM 0 HE1 HIS A 92 169.598 -7.462 -18.905 1.00 0.00 H new ATOM 0 HE2 HIS A 92 167.524 -8.936 -18.947 1.00 0.00 H new ATOM 1535 N HIS A 93 169.755 -13.197 -16.758 1.00 0.00 N ATOM 1536 CA HIS A 93 168.970 -14.264 -16.139 1.00 0.00 C ATOM 1537 C HIS A 93 168.475 -15.253 -17.195 1.00 0.00 C ATOM 1538 O HIS A 93 168.901 -16.426 -17.147 1.00 0.00 O ATOM 1539 CB HIS A 93 167.778 -13.681 -15.365 1.00 0.00 C ATOM 1540 CG HIS A 93 168.146 -12.583 -14.410 1.00 0.00 C ATOM 1541 ND1 HIS A 93 168.193 -12.756 -13.043 1.00 0.00 N ATOM 1542 CD2 HIS A 93 168.485 -11.291 -14.635 1.00 0.00 C ATOM 1543 CE1 HIS A 93 168.545 -11.619 -12.469 1.00 0.00 C ATOM 1544 NE2 HIS A 93 168.728 -10.714 -13.413 1.00 0.00 N ATOM 1545 OXT HIS A 93 167.673 -14.845 -18.064 1.00 0.00 O ATOM 0 H HIS A 93 169.211 -12.379 -17.031 1.00 0.00 H new ATOM 0 HA HIS A 93 169.616 -14.795 -15.439 1.00 0.00 H new ATOM 0 HB2 HIS A 93 167.048 -13.298 -16.078 1.00 0.00 H new ATOM 0 HB3 HIS A 93 167.292 -14.483 -14.810 1.00 0.00 H new ATOM 0 HD2 HIS A 93 168.552 -10.805 -15.597 1.00 0.00 H new ATOM 0 HE1 HIS A 93 168.663 -11.457 -11.408 1.00 0.00 H new ATOM 0 HE2 HIS A 93 169.005 -9.744 -13.259 1.00 0.00 H new TER 1554 HIS A 93