USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 678 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 43 ASN : amide:sc= -1.66! C(o=-1.6!,f=-4.6!) USER MOD Set 1.2: A 48 SER OG : rot -150:sc= 0.0361 USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= -0.954 USER MOD Set 2.2: A 39 ASN : amide:sc= -4.63! C(o=-5.6!,f=-1.7!) USER MOD Single : A 15 ASN : amide:sc=-0.00859 K(o=-0.0086,f=-1.7!) USER MOD Single : A 17 GLN : amide:sc= -1.53! C(o=-1.5!,f=-3.9!) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.139 (180deg=-0.94) USER MOD Single : A 20 LYS NZ :NH3+ -114:sc= 0.852 (180deg=-0.481) USER MOD Single : A 22 THR OG1 : rot 88:sc= 1.19 USER MOD Single : A 24 TYR OH : rot 135:sc= 0.0355 USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= -0.0819 (180deg=-0.537) USER MOD Single : A 27 HIS : no HD1:sc= -0.78 K(o=-0.78,f=-5.1!) USER MOD Single : A 28 ASN : amide:sc= -0.576! C(o=-0.58!,f=-10!) USER MOD Single : A 33 ASN : amide:sc= -0.899 K(o=-0.9,f=-4.7!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.99 K(o=-2,f=-13!) USER MOD Single : A 55 ASN : amide:sc= -0.0699 X(o=-0.07,f=0.25) USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.125) USER MOD Single : A 58 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.015) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -41:sc= 0.294 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.371 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -151:sc= -0.259 (180deg=-1.26) USER MOD Single : A 81 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= 0.482 K(o=0.48,f=-1.6!) USER MOD Single : A 94 HIS : no HD1:sc= -2.03 K(o=-2,f=-8.6!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.01 X(o=-0.01,f=-0.34) USER MOD Single : A 97 HIS : no HE2:sc= -9.12! C(o=-9.1!,f=-14!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 12 -7.313 12.456 -12.836 1.00 0.00 N ATOM 2 CA ALA A 12 -7.426 13.304 -11.619 1.00 0.00 C ATOM 3 C ALA A 12 -7.967 12.457 -10.461 1.00 0.00 C ATOM 4 O ALA A 12 -7.381 12.391 -9.397 1.00 0.00 O ATOM 5 CB ALA A 12 -8.400 14.454 -11.892 1.00 0.00 C ATOM 0 HA ALA A 12 -6.445 13.703 -11.360 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.485 15.078 -11.002 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.030 15.055 -12.722 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.379 14.049 -12.146 1.00 0.00 H new ATOM 11 N PHE A 13 -9.089 11.819 -10.664 1.00 0.00 N ATOM 12 CA PHE A 13 -9.701 10.980 -9.589 1.00 0.00 C ATOM 13 C PHE A 13 -8.766 9.821 -9.228 1.00 0.00 C ATOM 14 O PHE A 13 -8.586 9.494 -8.070 1.00 0.00 O ATOM 15 CB PHE A 13 -11.039 10.413 -10.088 1.00 0.00 C ATOM 16 CG PHE A 13 -12.047 11.531 -10.231 1.00 0.00 C ATOM 17 CD1 PHE A 13 -12.759 11.977 -9.109 1.00 0.00 C ATOM 18 CD2 PHE A 13 -12.268 12.124 -11.481 1.00 0.00 C ATOM 19 CE1 PHE A 13 -13.692 13.014 -9.240 1.00 0.00 C ATOM 20 CE2 PHE A 13 -13.202 13.161 -11.609 1.00 0.00 C ATOM 21 CZ PHE A 13 -13.912 13.606 -10.489 1.00 0.00 C ATOM 0 H PHE A 13 -9.614 11.843 -11.538 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.864 11.597 -8.705 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.898 9.913 -11.046 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -11.410 9.663 -9.389 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -12.589 11.522 -8.145 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.719 11.782 -12.346 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -14.242 13.357 -8.376 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -13.374 13.617 -12.573 1.00 0.00 H new ATOM 0 HZ PHE A 13 -14.630 14.407 -10.588 1.00 0.00 H new ATOM 31 N PHE A 14 -8.184 9.197 -10.213 1.00 0.00 N ATOM 32 CA PHE A 14 -7.264 8.049 -9.956 1.00 0.00 C ATOM 33 C PHE A 14 -6.052 8.522 -9.148 1.00 0.00 C ATOM 34 O PHE A 14 -5.605 7.856 -8.233 1.00 0.00 O ATOM 35 CB PHE A 14 -6.782 7.484 -11.301 1.00 0.00 C ATOM 36 CG PHE A 14 -7.917 6.759 -11.989 1.00 0.00 C ATOM 37 CD1 PHE A 14 -8.120 5.393 -11.750 1.00 0.00 C ATOM 38 CD2 PHE A 14 -8.767 7.448 -12.862 1.00 0.00 C ATOM 39 CE1 PHE A 14 -9.174 4.719 -12.383 1.00 0.00 C ATOM 40 CE2 PHE A 14 -9.820 6.774 -13.495 1.00 0.00 C ATOM 41 CZ PHE A 14 -10.022 5.411 -13.257 1.00 0.00 C ATOM 0 H PHE A 14 -8.307 9.435 -11.197 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.794 7.280 -9.393 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.417 8.292 -11.935 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.947 6.802 -11.141 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.464 4.859 -11.078 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.611 8.500 -13.048 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.332 3.667 -12.197 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.476 7.308 -14.167 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.832 4.892 -13.747 1.00 0.00 H new ATOM 51 N ASN A 15 -5.519 9.662 -9.491 1.00 0.00 N ATOM 52 CA ASN A 15 -4.327 10.199 -8.770 1.00 0.00 C ATOM 53 C ASN A 15 -4.688 10.473 -7.311 1.00 0.00 C ATOM 54 O ASN A 15 -3.914 10.216 -6.408 1.00 0.00 O ATOM 55 CB ASN A 15 -3.898 11.519 -9.426 1.00 0.00 C ATOM 56 CG ASN A 15 -3.292 11.247 -10.803 1.00 0.00 C ATOM 57 OD1 ASN A 15 -2.878 10.139 -11.089 1.00 0.00 O ATOM 58 ND2 ASN A 15 -3.223 12.215 -11.674 1.00 0.00 N ATOM 0 H ASN A 15 -5.862 10.252 -10.249 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.517 9.471 -8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.757 12.183 -9.523 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.171 12.029 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.822 12.044 -12.596 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.570 13.143 -11.433 1.00 0.00 H new ATOM 65 N GLU A 16 -5.856 10.999 -7.081 1.00 0.00 N ATOM 66 CA GLU A 16 -6.290 11.307 -5.689 1.00 0.00 C ATOM 67 C GLU A 16 -6.485 10.003 -4.912 1.00 0.00 C ATOM 68 O GLU A 16 -6.139 9.909 -3.749 1.00 0.00 O ATOM 69 CB GLU A 16 -7.611 12.091 -5.734 1.00 0.00 C ATOM 70 CG GLU A 16 -7.354 13.491 -6.303 1.00 0.00 C ATOM 71 CD GLU A 16 -8.678 14.250 -6.449 1.00 0.00 C ATOM 72 OE1 GLU A 16 -9.704 13.693 -6.097 1.00 0.00 O ATOM 73 OE2 GLU A 16 -8.641 15.378 -6.915 1.00 0.00 O ATOM 0 H GLU A 16 -6.537 11.232 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.529 11.907 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.339 11.564 -6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.036 12.166 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.681 14.041 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.861 13.414 -7.272 1.00 0.00 H new ATOM 80 N GLN A 17 -7.026 8.995 -5.545 1.00 0.00 N ATOM 81 CA GLN A 17 -7.236 7.689 -4.850 1.00 0.00 C ATOM 82 C GLN A 17 -5.876 7.111 -4.458 1.00 0.00 C ATOM 83 O GLN A 17 -5.708 6.559 -3.386 1.00 0.00 O ATOM 84 CB GLN A 17 -7.956 6.702 -5.792 1.00 0.00 C ATOM 85 CG GLN A 17 -9.422 7.122 -5.965 1.00 0.00 C ATOM 86 CD GLN A 17 -10.134 6.169 -6.931 1.00 0.00 C ATOM 87 OE1 GLN A 17 -9.551 5.213 -7.410 1.00 0.00 O ATOM 88 NE2 GLN A 17 -11.385 6.389 -7.236 1.00 0.00 N ATOM 0 H GLN A 17 -7.333 9.020 -6.517 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.847 7.845 -3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.458 6.681 -6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.903 5.692 -5.385 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.926 7.116 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.473 8.142 -6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.874 7.189 -6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.872 5.760 -7.875 1.00 0.00 H new ATOM 97 N LYS A 18 -4.907 7.246 -5.322 1.00 0.00 N ATOM 98 CA LYS A 18 -3.537 6.721 -5.033 1.00 0.00 C ATOM 99 C LYS A 18 -2.949 7.435 -3.816 1.00 0.00 C ATOM 100 O LYS A 18 -2.325 6.825 -2.969 1.00 0.00 O ATOM 101 CB LYS A 18 -2.630 6.985 -6.245 1.00 0.00 C ATOM 102 CG LYS A 18 -3.002 6.042 -7.392 1.00 0.00 C ATOM 103 CD LYS A 18 -2.101 6.324 -8.599 1.00 0.00 C ATOM 104 CE LYS A 18 -2.409 5.328 -9.723 1.00 0.00 C ATOM 105 NZ LYS A 18 -3.880 5.280 -9.965 1.00 0.00 N ATOM 0 H LYS A 18 -5.006 7.703 -6.228 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.600 5.652 -4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.732 8.021 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.586 6.839 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.890 5.005 -7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.048 6.180 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.258 7.343 -8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.053 6.245 -8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.890 5.623 -10.635 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.043 4.337 -9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.064 4.890 -10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.330 4.676 -9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.273 6.241 -9.905 1.00 0.00 H new ATOM 119 N GLU A 19 -3.132 8.724 -3.735 1.00 0.00 N ATOM 120 CA GLU A 19 -2.577 9.497 -2.589 1.00 0.00 C ATOM 121 C GLU A 19 -3.290 9.085 -1.301 1.00 0.00 C ATOM 122 O GLU A 19 -2.676 8.959 -0.258 1.00 0.00 O ATOM 123 CB GLU A 19 -2.801 10.996 -2.836 1.00 0.00 C ATOM 124 CG GLU A 19 -2.074 11.810 -1.762 1.00 0.00 C ATOM 125 CD GLU A 19 -0.558 11.704 -1.965 1.00 0.00 C ATOM 126 OE1 GLU A 19 -0.150 11.143 -2.969 1.00 0.00 O ATOM 127 OE2 GLU A 19 0.167 12.186 -1.112 1.00 0.00 O ATOM 0 H GLU A 19 -3.646 9.279 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.510 9.294 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.434 11.270 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.867 11.222 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.384 12.854 -1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.344 11.444 -0.771 1.00 0.00 H new ATOM 134 N LYS A 20 -4.575 8.877 -1.370 1.00 0.00 N ATOM 135 CA LYS A 20 -5.341 8.471 -0.158 1.00 0.00 C ATOM 136 C LYS A 20 -4.852 7.103 0.322 1.00 0.00 C ATOM 137 O LYS A 20 -4.656 6.883 1.503 1.00 0.00 O ATOM 138 CB LYS A 20 -6.833 8.375 -0.511 1.00 0.00 C ATOM 139 CG LYS A 20 -7.405 9.776 -0.745 1.00 0.00 C ATOM 140 CD LYS A 20 -8.875 9.667 -1.165 1.00 0.00 C ATOM 141 CE LYS A 20 -9.431 11.062 -1.468 1.00 0.00 C ATOM 142 NZ LYS A 20 -9.501 11.856 -0.210 1.00 0.00 N ATOM 0 H LYS A 20 -5.132 8.971 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.192 9.210 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.966 7.765 -1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.375 7.881 0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.319 10.371 0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.833 10.289 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.965 9.030 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.456 9.198 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.795 11.568 -2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.422 10.980 -1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.496 12.050 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.063 11.318 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.993 12.755 -0.338 1.00 0.00 H new ATOM 156 N VAL A 21 -4.653 6.193 -0.589 1.00 0.00 N ATOM 157 CA VAL A 21 -4.175 4.828 -0.216 1.00 0.00 C ATOM 158 C VAL A 21 -2.762 4.920 0.362 1.00 0.00 C ATOM 159 O VAL A 21 -2.445 4.282 1.347 1.00 0.00 O ATOM 160 CB VAL A 21 -4.156 3.936 -1.466 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.543 2.577 -1.117 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.588 3.733 -1.974 1.00 0.00 C ATOM 0 H VAL A 21 -4.802 6.336 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.845 4.400 0.530 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.559 4.416 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.530 1.945 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.524 2.719 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.138 2.098 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.573 3.100 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.185 3.255 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.025 4.699 -2.225 1.00 0.00 H new ATOM 172 N THR A 22 -1.914 5.708 -0.245 1.00 0.00 N ATOM 173 CA THR A 22 -0.515 5.840 0.256 1.00 0.00 C ATOM 174 C THR A 22 -0.541 6.357 1.691 1.00 0.00 C ATOM 175 O THR A 22 0.157 5.856 2.554 1.00 0.00 O ATOM 176 CB THR A 22 0.251 6.847 -0.614 1.00 0.00 C ATOM 177 OG1 THR A 22 0.070 6.528 -1.987 1.00 0.00 O ATOM 178 CG2 THR A 22 1.738 6.792 -0.261 1.00 0.00 C ATOM 0 H THR A 22 -2.132 6.268 -1.069 1.00 0.00 H new ATOM 0 HA THR A 22 -0.025 4.867 0.215 1.00 0.00 H new ATOM 0 HB THR A 22 -0.129 7.852 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.735 6.975 -2.323 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.285 7.506 -0.877 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.872 7.043 0.791 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.119 5.787 -0.445 1.00 0.00 H new ATOM 186 N LEU A 23 -1.339 7.352 1.950 1.00 0.00 N ATOM 187 CA LEU A 23 -1.422 7.914 3.323 1.00 0.00 C ATOM 188 C LEU A 23 -1.969 6.841 4.258 1.00 0.00 C ATOM 189 O LEU A 23 -1.500 6.663 5.368 1.00 0.00 O ATOM 190 CB LEU A 23 -2.374 9.116 3.319 1.00 0.00 C ATOM 191 CG LEU A 23 -2.398 9.768 4.710 1.00 0.00 C ATOM 192 CD1 LEU A 23 -1.007 10.335 5.048 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.432 10.900 4.723 1.00 0.00 C ATOM 0 H LEU A 23 -1.942 7.804 1.263 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.435 8.233 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.053 9.843 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.378 8.795 3.041 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.667 9.018 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.032 10.796 6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.274 9.528 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.729 11.083 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.451 11.364 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.164 11.647 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.418 10.495 4.494 1.00 0.00 H new ATOM 205 N TYR A 24 -2.960 6.132 3.805 1.00 0.00 N ATOM 206 CA TYR A 24 -3.569 5.055 4.629 1.00 0.00 C ATOM 207 C TYR A 24 -2.510 3.989 4.920 1.00 0.00 C ATOM 208 O TYR A 24 -2.346 3.558 6.044 1.00 0.00 O ATOM 209 CB TYR A 24 -4.743 4.442 3.840 1.00 0.00 C ATOM 210 CG TYR A 24 -5.241 3.188 4.521 1.00 0.00 C ATOM 211 CD1 TYR A 24 -6.147 3.277 5.586 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.797 1.930 4.087 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.603 2.112 6.217 1.00 0.00 C ATOM 214 CE2 TYR A 24 -5.255 0.767 4.717 1.00 0.00 C ATOM 215 CZ TYR A 24 -6.159 0.857 5.781 1.00 0.00 C ATOM 216 OH TYR A 24 -6.609 -0.289 6.403 1.00 0.00 O ATOM 0 H TYR A 24 -3.381 6.255 2.884 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.936 5.454 5.575 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.554 5.166 3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.424 4.209 2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.494 4.244 5.921 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.100 1.859 3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.298 2.182 7.041 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.910 -0.200 4.382 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.854 -0.954 5.726 1.00 0.00 H new ATOM 226 N LEU A 25 -1.786 3.575 3.918 1.00 0.00 N ATOM 227 CA LEU A 25 -0.727 2.543 4.121 1.00 0.00 C ATOM 228 C LEU A 25 0.368 3.095 5.026 1.00 0.00 C ATOM 229 O LEU A 25 0.908 2.393 5.858 1.00 0.00 O ATOM 230 CB LEU A 25 -0.112 2.162 2.767 1.00 0.00 C ATOM 231 CG LEU A 25 -1.155 1.433 1.911 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.621 1.272 0.484 1.00 0.00 C ATOM 233 CD2 LEU A 25 -1.451 0.044 2.507 1.00 0.00 C ATOM 0 H LEU A 25 -1.882 3.909 2.959 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.174 1.663 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.235 3.057 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.758 1.523 2.919 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.075 2.018 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.362 0.754 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.423 2.255 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.302 0.692 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.193 -0.465 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.534 -0.544 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.836 0.157 3.520 1.00 0.00 H new ATOM 245 N LYS A 26 0.711 4.338 4.855 1.00 0.00 N ATOM 246 CA LYS A 26 1.782 4.944 5.690 1.00 0.00 C ATOM 247 C LYS A 26 1.376 4.895 7.158 1.00 0.00 C ATOM 248 O LYS A 26 2.168 4.562 8.021 1.00 0.00 O ATOM 249 CB LYS A 26 1.990 6.403 5.268 1.00 0.00 C ATOM 250 CG LYS A 26 3.174 6.989 6.037 1.00 0.00 C ATOM 251 CD LYS A 26 3.464 8.406 5.534 1.00 0.00 C ATOM 252 CE LYS A 26 4.669 8.978 6.282 1.00 0.00 C ATOM 253 NZ LYS A 26 4.361 9.055 7.738 1.00 0.00 N ATOM 0 H LYS A 26 0.293 4.965 4.168 1.00 0.00 H new ATOM 0 HA LYS A 26 2.708 4.386 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.174 6.460 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.089 6.983 5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.953 7.009 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.054 6.359 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.663 8.389 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.593 9.043 5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.544 8.349 6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.912 9.969 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.006 9.732 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.379 9.371 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.483 8.116 8.169 1.00 0.00 H new ATOM 267 N HIS A 27 0.154 5.234 7.447 1.00 0.00 N ATOM 268 CA HIS A 27 -0.322 5.220 8.856 1.00 0.00 C ATOM 269 C HIS A 27 -0.416 3.779 9.368 1.00 0.00 C ATOM 270 O HIS A 27 -0.048 3.487 10.490 1.00 0.00 O ATOM 271 CB HIS A 27 -1.710 5.872 8.926 1.00 0.00 C ATOM 272 CG HIS A 27 -1.580 7.364 8.778 1.00 0.00 C ATOM 273 ND1 HIS A 27 -2.451 8.247 9.399 1.00 0.00 N ATOM 274 CD2 HIS A 27 -0.689 8.142 8.086 1.00 0.00 C ATOM 275 CE1 HIS A 27 -2.066 9.494 9.070 1.00 0.00 C ATOM 276 NE2 HIS A 27 -0.997 9.487 8.270 1.00 0.00 N ATOM 0 H HIS A 27 -0.543 5.523 6.761 1.00 0.00 H new ATOM 0 HA HIS A 27 0.383 5.773 9.476 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.349 5.473 8.138 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -2.187 5.632 9.876 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.129 7.768 7.488 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.561 10.391 9.411 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.511 10.293 7.878 1.00 0.00 H new ATOM 284 N ASN A 28 -0.912 2.881 8.558 1.00 0.00 N ATOM 285 CA ASN A 28 -1.040 1.459 8.993 1.00 0.00 C ATOM 286 C ASN A 28 0.343 0.877 9.222 1.00 0.00 C ATOM 287 O ASN A 28 0.569 0.135 10.161 1.00 0.00 O ATOM 288 CB ASN A 28 -1.737 0.641 7.893 1.00 0.00 C ATOM 289 CG ASN A 28 -3.246 0.872 7.949 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.936 0.249 8.733 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.794 1.740 7.149 1.00 0.00 N ATOM 0 H ASN A 28 -1.235 3.072 7.610 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.624 1.419 9.912 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.352 0.929 6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.518 -0.419 8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.801 1.897 7.180 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.216 2.263 6.491 1.00 0.00 H new ATOM 298 N ILE A 29 1.261 1.193 8.348 1.00 0.00 N ATOM 299 CA ILE A 29 2.640 0.654 8.464 1.00 0.00 C ATOM 300 C ILE A 29 3.619 1.805 8.748 1.00 0.00 C ATOM 301 O ILE A 29 3.804 2.685 7.927 1.00 0.00 O ATOM 302 CB ILE A 29 3.021 -0.032 7.160 1.00 0.00 C ATOM 303 CG1 ILE A 29 2.040 -1.180 6.903 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.442 -0.590 7.274 1.00 0.00 C ATOM 305 CD1 ILE A 29 2.235 -1.713 5.484 1.00 0.00 C ATOM 0 H ILE A 29 1.108 1.810 7.550 1.00 0.00 H new ATOM 0 HA ILE A 29 2.685 -0.066 9.281 1.00 0.00 H new ATOM 0 HB ILE A 29 2.981 0.682 6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.201 -1.978 7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.015 -0.832 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.716 -1.082 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.138 0.225 7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.485 -1.311 8.090 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.536 -2.530 5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.052 -0.913 4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.256 -2.077 5.369 1.00 0.00 H new ATOM 317 N PRO A 30 4.248 1.809 9.901 1.00 0.00 N ATOM 318 CA PRO A 30 5.218 2.877 10.275 1.00 0.00 C ATOM 319 C PRO A 30 6.524 2.714 9.500 1.00 0.00 C ATOM 320 O PRO A 30 7.324 3.620 9.400 1.00 0.00 O ATOM 321 CB PRO A 30 5.433 2.656 11.780 1.00 0.00 C ATOM 322 CG PRO A 30 5.154 1.204 12.003 1.00 0.00 C ATOM 323 CD PRO A 30 4.116 0.798 10.966 1.00 0.00 C ATOM 0 HA PRO A 30 4.861 3.881 10.045 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.451 2.912 12.075 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.763 3.282 12.370 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.063 0.613 11.893 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.782 1.031 13.013 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.305 -0.206 10.586 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.111 0.795 11.389 1.00 0.00 H new ATOM 331 N ASP A 31 6.733 1.549 8.951 1.00 0.00 N ATOM 332 CA ASP A 31 7.974 1.277 8.172 1.00 0.00 C ATOM 333 C ASP A 31 7.676 1.499 6.688 1.00 0.00 C ATOM 334 O ASP A 31 8.478 1.183 5.832 1.00 0.00 O ATOM 335 CB ASP A 31 8.407 -0.178 8.405 1.00 0.00 C ATOM 336 CG ASP A 31 8.851 -0.355 9.860 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.072 0.647 10.519 1.00 0.00 O ATOM 338 OD2 ASP A 31 8.962 -1.492 10.291 1.00 0.00 O ATOM 0 H ASP A 31 6.086 0.762 9.010 1.00 0.00 H new ATOM 0 HA ASP A 31 8.776 1.943 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.582 -0.854 8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.223 -0.438 7.731 1.00 0.00 H new ATOM 343 N PHE A 32 6.523 2.035 6.384 1.00 0.00 N ATOM 344 CA PHE A 32 6.146 2.271 4.961 1.00 0.00 C ATOM 345 C PHE A 32 7.254 3.034 4.252 1.00 0.00 C ATOM 346 O PHE A 32 7.692 4.078 4.688 1.00 0.00 O ATOM 347 CB PHE A 32 4.853 3.085 4.904 1.00 0.00 C ATOM 348 CG PHE A 32 4.496 3.343 3.462 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.110 4.393 2.767 1.00 0.00 C ATOM 350 CD2 PHE A 32 3.566 2.523 2.813 1.00 0.00 C ATOM 351 CE1 PHE A 32 4.792 4.623 1.424 1.00 0.00 C ATOM 352 CE2 PHE A 32 3.248 2.753 1.471 1.00 0.00 C ATOM 353 CZ PHE A 32 3.861 3.804 0.775 1.00 0.00 C ATOM 0 H PHE A 32 5.822 2.321 7.067 1.00 0.00 H new ATOM 0 HA PHE A 32 5.997 1.311 4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.047 2.545 5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.979 4.029 5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.829 5.025 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.094 1.713 3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.265 5.433 0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.530 2.121 0.970 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.615 3.982 -0.261 1.00 0.00 H new ATOM 363 N ASN A 33 7.706 2.507 3.148 1.00 0.00 N ATOM 364 CA ASN A 33 8.794 3.161 2.362 1.00 0.00 C ATOM 365 C ASN A 33 8.231 3.631 1.022 1.00 0.00 C ATOM 366 O ASN A 33 8.163 4.812 0.750 1.00 0.00 O ATOM 367 CB ASN A 33 9.903 2.140 2.107 1.00 0.00 C ATOM 368 CG ASN A 33 11.082 2.828 1.424 1.00 0.00 C ATOM 369 OD1 ASN A 33 10.928 3.881 0.834 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.264 2.281 1.478 1.00 0.00 N ATOM 0 H ASN A 33 7.361 1.634 2.749 1.00 0.00 H new ATOM 0 HA ASN A 33 9.191 4.013 2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.224 1.694 3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.529 1.330 1.481 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.057 2.736 1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.395 1.398 1.972 1.00 0.00 H new ATOM 377 N THR A 34 7.833 2.712 0.184 1.00 0.00 N ATOM 378 CA THR A 34 7.280 3.098 -1.150 1.00 0.00 C ATOM 379 C THR A 34 6.206 2.105 -1.586 1.00 0.00 C ATOM 380 O THR A 34 6.123 1.003 -1.090 1.00 0.00 O ATOM 381 CB THR A 34 8.414 3.118 -2.184 1.00 0.00 C ATOM 382 OG1 THR A 34 7.866 3.363 -3.469 1.00 0.00 O ATOM 383 CG2 THR A 34 9.157 1.776 -2.189 1.00 0.00 C ATOM 0 H THR A 34 7.866 1.709 0.364 1.00 0.00 H new ATOM 0 HA THR A 34 6.832 4.089 -1.076 1.00 0.00 H new ATOM 0 HB THR A 34 9.121 3.906 -1.924 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.586 3.379 -4.134 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.958 1.806 -2.928 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.580 1.591 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.461 0.976 -2.441 1.00 0.00 H new ATOM 391 N VAL A 35 5.375 2.511 -2.511 1.00 0.00 N ATOM 392 CA VAL A 35 4.275 1.627 -3.012 1.00 0.00 C ATOM 393 C VAL A 35 4.131 1.789 -4.521 1.00 0.00 C ATOM 394 O VAL A 35 4.211 2.877 -5.050 1.00 0.00 O ATOM 395 CB VAL A 35 2.961 2.015 -2.329 1.00 0.00 C ATOM 396 CG1 VAL A 35 2.591 3.460 -2.681 1.00 0.00 C ATOM 397 CG2 VAL A 35 1.848 1.076 -2.798 1.00 0.00 C ATOM 0 H VAL A 35 5.411 3.432 -2.948 1.00 0.00 H new ATOM 0 HA VAL A 35 4.514 0.588 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 35 3.083 1.932 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.655 3.726 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.381 4.131 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.474 3.553 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.912 1.351 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.734 1.158 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.104 0.049 -2.537 1.00 0.00 H new ATOM 407 N THR A 36 3.908 0.702 -5.207 1.00 0.00 N ATOM 408 CA THR A 36 3.741 0.746 -6.693 1.00 0.00 C ATOM 409 C THR A 36 2.468 0.005 -7.079 1.00 0.00 C ATOM 410 O THR A 36 2.269 -1.143 -6.730 1.00 0.00 O ATOM 411 CB THR A 36 4.952 0.094 -7.357 1.00 0.00 C ATOM 412 OG1 THR A 36 6.122 0.829 -7.016 1.00 0.00 O ATOM 413 CG2 THR A 36 4.768 0.102 -8.877 1.00 0.00 C ATOM 0 H THR A 36 3.833 -0.229 -4.798 1.00 0.00 H new ATOM 0 HA THR A 36 3.666 1.781 -7.028 1.00 0.00 H new ATOM 0 HB THR A 36 5.051 -0.935 -7.012 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.903 0.414 -7.438 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.632 -0.363 -9.351 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.868 -0.455 -9.137 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.672 1.130 -9.227 1.00 0.00 H new ATOM 421 N PHE A 37 1.607 0.665 -7.803 1.00 0.00 N ATOM 422 CA PHE A 37 0.327 0.035 -8.234 1.00 0.00 C ATOM 423 C PHE A 37 0.513 -0.631 -9.593 1.00 0.00 C ATOM 424 O PHE A 37 1.215 -0.139 -10.453 1.00 0.00 O ATOM 425 CB PHE A 37 -0.763 1.106 -8.325 1.00 0.00 C ATOM 426 CG PHE A 37 -0.903 1.788 -6.977 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.345 1.055 -5.867 1.00 0.00 C ATOM 428 CD2 PHE A 37 -0.597 3.149 -6.837 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.477 1.681 -4.621 1.00 0.00 C ATOM 430 CE2 PHE A 37 -0.729 3.774 -5.591 1.00 0.00 C ATOM 431 CZ PHE A 37 -1.171 3.040 -4.483 1.00 0.00 C ATOM 0 H PHE A 37 1.738 1.626 -8.118 1.00 0.00 H new ATOM 0 HA PHE A 37 0.031 -0.720 -7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.508 1.838 -9.092 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.711 0.654 -8.618 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.584 0.007 -5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.259 3.716 -7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.815 1.115 -3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.490 4.822 -5.484 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.276 3.522 -3.522 1.00 0.00 H new ATOM 441 N THR A 38 -0.116 -1.754 -9.783 1.00 0.00 N ATOM 442 CA THR A 38 0.002 -2.476 -11.069 1.00 0.00 C ATOM 443 C THR A 38 -0.958 -3.660 -11.082 1.00 0.00 C ATOM 444 O THR A 38 -0.905 -4.523 -10.234 1.00 0.00 O ATOM 445 CB THR A 38 1.448 -2.960 -11.261 1.00 0.00 C ATOM 446 OG1 THR A 38 1.484 -3.976 -12.253 1.00 0.00 O ATOM 447 CG2 THR A 38 2.009 -3.507 -9.944 1.00 0.00 C ATOM 0 H THR A 38 -0.714 -2.205 -9.091 1.00 0.00 H new ATOM 0 HA THR A 38 -0.255 -1.804 -11.888 1.00 0.00 H new ATOM 0 HB THR A 38 2.060 -2.116 -11.580 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.407 -4.282 -12.374 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.034 -3.845 -10.098 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.996 -2.721 -9.189 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.397 -4.344 -9.608 1.00 0.00 H new ATOM 455 N ASN A 39 -1.819 -3.690 -12.058 1.00 0.00 N ATOM 456 CA ASN A 39 -2.810 -4.805 -12.213 1.00 0.00 C ATOM 457 C ASN A 39 -4.027 -4.584 -11.316 1.00 0.00 C ATOM 458 O ASN A 39 -3.975 -3.885 -10.324 1.00 0.00 O ATOM 459 CB ASN A 39 -2.157 -6.150 -11.871 1.00 0.00 C ATOM 460 CG ASN A 39 -0.715 -6.178 -12.402 1.00 0.00 C ATOM 461 OD1 ASN A 39 0.123 -6.879 -11.872 1.00 0.00 O ATOM 462 ND2 ASN A 39 -0.384 -5.440 -13.430 1.00 0.00 N ATOM 0 H ASN A 39 -1.884 -2.970 -12.778 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.140 -4.818 -13.252 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.160 -6.302 -10.792 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.732 -6.966 -12.309 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.573 -5.456 -13.782 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.083 -4.849 -13.880 1.00 0.00 H new ATOM 469 N GLU A 40 -5.124 -5.192 -11.675 1.00 0.00 N ATOM 470 CA GLU A 40 -6.377 -5.066 -10.885 1.00 0.00 C ATOM 471 C GLU A 40 -6.930 -3.649 -11.018 1.00 0.00 C ATOM 472 O GLU A 40 -6.468 -2.724 -10.382 1.00 0.00 O ATOM 473 CB GLU A 40 -6.097 -5.393 -9.414 1.00 0.00 C ATOM 474 CG GLU A 40 -7.365 -5.953 -8.760 1.00 0.00 C ATOM 475 CD GLU A 40 -7.612 -7.382 -9.256 1.00 0.00 C ATOM 476 OE1 GLU A 40 -6.740 -7.920 -9.917 1.00 0.00 O ATOM 477 OE2 GLU A 40 -8.676 -7.907 -8.973 1.00 0.00 O ATOM 0 H GLU A 40 -5.204 -5.784 -12.502 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.118 -5.769 -11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.287 -6.119 -9.340 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.770 -4.496 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.260 -5.947 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.220 -5.321 -9.001 1.00 0.00 H new ATOM 484 N GLU A 41 -7.924 -3.481 -11.842 1.00 0.00 N ATOM 485 CA GLU A 41 -8.540 -2.137 -12.040 1.00 0.00 C ATOM 486 C GLU A 41 -10.041 -2.312 -12.249 1.00 0.00 C ATOM 487 O GLU A 41 -10.811 -1.404 -12.030 1.00 0.00 O ATOM 488 CB GLU A 41 -7.921 -1.456 -13.267 1.00 0.00 C ATOM 489 CG GLU A 41 -6.460 -1.103 -12.964 1.00 0.00 C ATOM 490 CD GLU A 41 -5.810 -0.451 -14.190 1.00 0.00 C ATOM 491 OE1 GLU A 41 -6.482 -0.323 -15.199 1.00 0.00 O ATOM 492 OE2 GLU A 41 -4.647 -0.093 -14.096 1.00 0.00 O ATOM 0 H GLU A 41 -8.343 -4.228 -12.396 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.358 -1.514 -11.164 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.976 -2.118 -14.131 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.481 -0.555 -13.519 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.411 -0.424 -12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.910 -2.003 -12.687 1.00 0.00 H new ATOM 499 N PHE A 42 -10.455 -3.482 -12.661 1.00 0.00 N ATOM 500 CA PHE A 42 -11.915 -3.749 -12.886 1.00 0.00 C ATOM 501 C PHE A 42 -12.409 -4.817 -11.914 1.00 0.00 C ATOM 502 O PHE A 42 -11.792 -5.850 -11.729 1.00 0.00 O ATOM 503 CB PHE A 42 -12.136 -4.219 -14.328 1.00 0.00 C ATOM 504 CG PHE A 42 -12.004 -3.035 -15.258 1.00 0.00 C ATOM 505 CD1 PHE A 42 -13.092 -2.172 -15.443 1.00 0.00 C ATOM 506 CD2 PHE A 42 -10.796 -2.788 -15.918 1.00 0.00 C ATOM 507 CE1 PHE A 42 -12.973 -1.068 -16.293 1.00 0.00 C ATOM 508 CE2 PHE A 42 -10.675 -1.681 -16.767 1.00 0.00 C ATOM 509 CZ PHE A 42 -11.763 -0.820 -16.953 1.00 0.00 C ATOM 0 H PHE A 42 -9.842 -4.274 -12.854 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.475 -2.830 -12.715 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -11.407 -4.986 -14.590 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.123 -4.669 -14.430 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -14.023 -2.359 -14.929 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.956 -3.451 -15.773 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -13.814 -0.407 -16.440 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.743 -1.492 -17.278 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.669 0.036 -17.605 1.00 0.00 H new ATOM 519 N ASN A 43 -13.534 -4.564 -11.303 1.00 0.00 N ATOM 520 CA ASN A 43 -14.123 -5.537 -10.345 1.00 0.00 C ATOM 521 C ASN A 43 -15.541 -5.076 -9.975 1.00 0.00 C ATOM 522 O ASN A 43 -15.860 -3.902 -10.059 1.00 0.00 O ATOM 523 CB ASN A 43 -13.257 -5.615 -9.072 1.00 0.00 C ATOM 524 CG ASN A 43 -12.149 -6.659 -9.255 1.00 0.00 C ATOM 525 OD1 ASN A 43 -12.348 -7.663 -9.914 1.00 0.00 O ATOM 526 ND2 ASN A 43 -10.991 -6.469 -8.695 1.00 0.00 N ATOM 0 H ASN A 43 -14.077 -3.710 -11.431 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.161 -6.524 -10.806 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.818 -4.640 -8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.878 -5.878 -8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.250 -7.161 -8.808 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.823 -5.628 -8.143 1.00 0.00 H new ATOM 533 N PRO A 44 -16.396 -5.988 -9.573 1.00 0.00 N ATOM 534 CA PRO A 44 -17.794 -5.652 -9.175 1.00 0.00 C ATOM 535 C PRO A 44 -17.853 -4.417 -8.271 1.00 0.00 C ATOM 536 O PRO A 44 -18.767 -3.617 -8.350 1.00 0.00 O ATOM 537 CB PRO A 44 -18.264 -6.900 -8.411 1.00 0.00 C ATOM 538 CG PRO A 44 -17.448 -8.031 -8.957 1.00 0.00 C ATOM 539 CD PRO A 44 -16.123 -7.432 -9.442 1.00 0.00 C ATOM 0 HA PRO A 44 -18.416 -5.410 -10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -18.109 -6.786 -7.338 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -19.329 -7.075 -8.562 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.273 -8.786 -8.190 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.971 -8.524 -9.776 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.318 -7.621 -8.731 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.816 -7.866 -10.394 1.00 0.00 H new ATOM 547 N ILE A 45 -16.887 -4.266 -7.410 1.00 0.00 N ATOM 548 CA ILE A 45 -16.870 -3.097 -6.485 1.00 0.00 C ATOM 549 C ILE A 45 -16.366 -1.869 -7.243 1.00 0.00 C ATOM 550 O ILE A 45 -15.688 -1.016 -6.703 1.00 0.00 O ATOM 551 CB ILE A 45 -15.947 -3.401 -5.292 1.00 0.00 C ATOM 552 CG1 ILE A 45 -16.154 -4.856 -4.846 1.00 0.00 C ATOM 553 CG2 ILE A 45 -16.294 -2.462 -4.131 1.00 0.00 C ATOM 554 CD1 ILE A 45 -15.248 -5.166 -3.650 1.00 0.00 C ATOM 0 H ILE A 45 -16.101 -4.908 -7.306 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.875 -2.902 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.908 -3.253 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.197 -5.018 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -15.929 -5.534 -5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.642 -2.675 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.155 -1.428 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.332 -2.615 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -15.399 -6.199 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -14.206 -5.022 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -15.494 -4.498 -2.825 1.00 0.00 H new ATOM 566 N GLY A 46 -16.705 -1.783 -8.498 1.00 0.00 N ATOM 567 CA GLY A 46 -16.276 -0.623 -9.329 1.00 0.00 C ATOM 568 C GLY A 46 -14.842 -0.824 -9.790 1.00 0.00 C ATOM 569 O GLY A 46 -14.561 -1.630 -10.660 1.00 0.00 O ATOM 0 H GLY A 46 -17.269 -2.476 -8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.934 -0.519 -10.192 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.357 0.299 -8.753 1.00 0.00 H new ATOM 573 N ILE A 47 -13.933 -0.090 -9.207 1.00 0.00 N ATOM 574 CA ILE A 47 -12.494 -0.201 -9.588 1.00 0.00 C ATOM 575 C ILE A 47 -11.680 -0.658 -8.387 1.00 0.00 C ATOM 576 O ILE A 47 -12.014 -0.390 -7.253 1.00 0.00 O ATOM 577 CB ILE A 47 -11.993 1.159 -10.088 1.00 0.00 C ATOM 578 CG1 ILE A 47 -12.146 2.227 -8.997 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.817 1.573 -11.308 1.00 0.00 C ATOM 580 CD1 ILE A 47 -11.437 3.511 -9.434 1.00 0.00 C ATOM 0 H ILE A 47 -14.128 0.591 -8.473 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.381 -0.935 -10.386 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.938 1.072 -10.350 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.202 2.427 -8.815 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.723 1.867 -8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.468 2.540 -11.672 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.703 0.827 -12.094 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.868 1.648 -11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.546 4.269 -8.658 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.379 3.306 -9.594 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.881 3.874 -10.361 1.00 0.00 H new ATOM 592 N SER A 48 -10.614 -1.367 -8.640 1.00 0.00 N ATOM 593 CA SER A 48 -9.751 -1.884 -7.534 1.00 0.00 C ATOM 594 C SER A 48 -8.295 -1.501 -7.771 1.00 0.00 C ATOM 595 O SER A 48 -7.865 -1.282 -8.883 1.00 0.00 O ATOM 596 CB SER A 48 -9.876 -3.404 -7.475 1.00 0.00 C ATOM 597 OG SER A 48 -11.121 -3.746 -6.879 1.00 0.00 O ATOM 0 H SER A 48 -10.298 -1.614 -9.578 1.00 0.00 H new ATOM 0 HA SER A 48 -10.077 -1.445 -6.591 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.811 -3.826 -8.478 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.054 -3.827 -6.897 1.00 0.00 H new ATOM 0 HG SER A 48 -11.035 -4.602 -6.410 1.00 0.00 H new ATOM 603 N ILE A 49 -7.539 -1.432 -6.710 1.00 0.00 N ATOM 604 CA ILE A 49 -6.090 -1.077 -6.810 1.00 0.00 C ATOM 605 C ILE A 49 -5.252 -2.190 -6.190 1.00 0.00 C ATOM 606 O ILE A 49 -5.441 -2.569 -5.052 1.00 0.00 O ATOM 607 CB ILE A 49 -5.834 0.235 -6.067 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.572 1.375 -6.774 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.333 0.526 -6.062 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.534 2.631 -5.901 1.00 0.00 C ATOM 0 H ILE A 49 -7.868 -1.609 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.815 -0.957 -7.858 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.195 0.151 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.109 1.577 -7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.605 1.087 -6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.145 1.461 -5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.807 -0.286 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.976 0.612 -7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.060 3.441 -6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.017 2.425 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.498 2.923 -5.728 1.00 0.00 H new ATOM 622 N ASP A 50 -4.316 -2.706 -6.943 1.00 0.00 N ATOM 623 CA ASP A 50 -3.431 -3.800 -6.442 1.00 0.00 C ATOM 624 C ASP A 50 -1.972 -3.426 -6.678 1.00 0.00 C ATOM 625 O ASP A 50 -1.582 -3.028 -7.758 1.00 0.00 O ATOM 626 CB ASP A 50 -3.760 -5.093 -7.185 1.00 0.00 C ATOM 627 CG ASP A 50 -2.866 -6.220 -6.672 1.00 0.00 C ATOM 628 OD1 ASP A 50 -2.879 -6.465 -5.476 1.00 0.00 O ATOM 629 OD2 ASP A 50 -2.183 -6.823 -7.485 1.00 0.00 O ATOM 0 H ASP A 50 -4.124 -2.410 -7.900 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.594 -3.943 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.809 -5.352 -7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.612 -4.957 -8.256 1.00 0.00 H new ATOM 634 N GLY A 51 -1.169 -3.550 -5.663 1.00 0.00 N ATOM 635 CA GLY A 51 0.274 -3.202 -5.793 1.00 0.00 C ATOM 636 C GLY A 51 1.071 -3.855 -4.669 1.00 0.00 C ATOM 637 O GLY A 51 0.616 -4.769 -4.012 1.00 0.00 O ATOM 0 H GLY A 51 -1.451 -3.880 -4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.652 -3.536 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.400 -2.120 -5.758 1.00 0.00 H new ATOM 641 N TYR A 52 2.265 -3.380 -4.449 1.00 0.00 N ATOM 642 CA TYR A 52 3.132 -3.942 -3.372 1.00 0.00 C ATOM 643 C TYR A 52 3.925 -2.823 -2.717 1.00 0.00 C ATOM 644 O TYR A 52 4.051 -1.742 -3.254 1.00 0.00 O ATOM 645 CB TYR A 52 4.098 -4.973 -3.965 1.00 0.00 C ATOM 646 CG TYR A 52 4.816 -4.386 -5.160 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.897 -3.515 -4.973 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.406 -4.725 -6.456 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.566 -2.980 -6.083 1.00 0.00 C ATOM 650 CE2 TYR A 52 5.076 -4.190 -7.564 1.00 0.00 C ATOM 651 CZ TYR A 52 6.155 -3.318 -7.378 1.00 0.00 C ATOM 652 OH TYR A 52 6.814 -2.792 -8.470 1.00 0.00 O ATOM 0 H TYR A 52 2.684 -2.615 -4.977 1.00 0.00 H new ATOM 0 HA TYR A 52 2.503 -4.427 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.822 -5.280 -3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.550 -5.867 -4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.215 -3.256 -3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.574 -5.398 -6.601 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.398 -2.307 -5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.759 -4.451 -8.563 1.00 0.00 H new ATOM 0 HH TYR A 52 6.403 -3.129 -9.293 1.00 0.00 H new ATOM 662 N ILE A 53 4.455 -3.078 -1.547 1.00 0.00 N ATOM 663 CA ILE A 53 5.245 -2.031 -0.820 1.00 0.00 C ATOM 664 C ILE A 53 6.658 -2.538 -0.523 1.00 0.00 C ATOM 665 O ILE A 53 6.936 -3.719 -0.565 1.00 0.00 O ATOM 666 CB ILE A 53 4.543 -1.671 0.496 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.444 -2.907 1.409 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.128 -1.154 0.193 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.047 -2.470 2.823 1.00 0.00 C ATOM 0 H ILE A 53 4.375 -3.971 -1.060 1.00 0.00 H new ATOM 0 HA ILE A 53 5.313 -1.145 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 53 5.123 -0.900 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.707 -3.606 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.400 -3.431 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.627 -0.897 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.192 -0.269 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.560 -1.929 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.977 -3.346 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.800 -1.787 3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.081 -1.966 2.790 1.00 0.00 H new ATOM 681 N ASN A 54 7.542 -1.628 -0.224 1.00 0.00 N ATOM 682 CA ASN A 54 8.959 -1.978 0.088 1.00 0.00 C ATOM 683 C ASN A 54 9.578 -2.734 -1.094 1.00 0.00 C ATOM 684 O ASN A 54 10.459 -3.560 -0.929 1.00 0.00 O ATOM 685 CB ASN A 54 9.027 -2.834 1.360 1.00 0.00 C ATOM 686 CG ASN A 54 8.204 -2.177 2.473 1.00 0.00 C ATOM 687 OD1 ASN A 54 7.014 -1.980 2.332 1.00 0.00 O ATOM 688 ND2 ASN A 54 8.791 -1.824 3.583 1.00 0.00 N ATOM 0 H ASN A 54 7.337 -0.630 -0.181 1.00 0.00 H new ATOM 0 HA ASN A 54 9.523 -1.061 0.258 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.646 -3.835 1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.063 -2.946 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.251 -1.384 4.328 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.790 -1.988 3.706 1.00 0.00 H new ATOM 695 N ASN A 55 9.127 -2.435 -2.284 1.00 0.00 N ATOM 696 CA ASN A 55 9.668 -3.095 -3.510 1.00 0.00 C ATOM 697 C ASN A 55 9.696 -4.607 -3.308 1.00 0.00 C ATOM 698 O ASN A 55 10.554 -5.298 -3.820 1.00 0.00 O ATOM 699 CB ASN A 55 11.083 -2.565 -3.805 1.00 0.00 C ATOM 700 CG ASN A 55 11.401 -2.739 -5.294 1.00 0.00 C ATOM 701 OD1 ASN A 55 11.800 -3.807 -5.723 1.00 0.00 O ATOM 702 ND2 ASN A 55 11.232 -1.734 -6.110 1.00 0.00 N ATOM 0 H ASN A 55 8.393 -1.749 -2.461 1.00 0.00 H new ATOM 0 HA ASN A 55 9.026 -2.866 -4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.152 -1.513 -3.529 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.816 -3.101 -3.202 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.434 -1.844 -7.104 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.898 -0.838 -5.754 1.00 0.00 H new ATOM 709 N ASP A 56 8.750 -5.121 -2.569 1.00 0.00 N ATOM 710 CA ASP A 56 8.683 -6.595 -2.311 1.00 0.00 C ATOM 711 C ASP A 56 7.444 -7.175 -2.988 1.00 0.00 C ATOM 712 O ASP A 56 6.326 -6.926 -2.583 1.00 0.00 O ATOM 713 CB ASP A 56 8.610 -6.836 -0.807 1.00 0.00 C ATOM 714 CG ASP A 56 8.837 -8.320 -0.522 1.00 0.00 C ATOM 715 OD1 ASP A 56 8.876 -9.085 -1.472 1.00 0.00 O ATOM 716 OD2 ASP A 56 8.968 -8.669 0.640 1.00 0.00 O ATOM 0 H ASP A 56 8.009 -4.577 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 56 9.571 -7.081 -2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.362 -6.236 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.638 -6.525 -0.424 1.00 0.00 H new ATOM 721 N LYS A 57 7.644 -7.962 -4.003 1.00 0.00 N ATOM 722 CA LYS A 57 6.500 -8.583 -4.729 1.00 0.00 C ATOM 723 C LYS A 57 5.681 -9.429 -3.755 1.00 0.00 C ATOM 724 O LYS A 57 4.477 -9.547 -3.880 1.00 0.00 O ATOM 725 CB LYS A 57 7.042 -9.485 -5.849 1.00 0.00 C ATOM 726 CG LYS A 57 7.596 -8.617 -6.996 1.00 0.00 C ATOM 727 CD LYS A 57 6.458 -8.258 -7.975 1.00 0.00 C ATOM 728 CE LYS A 57 6.307 -9.366 -9.023 1.00 0.00 C ATOM 729 NZ LYS A 57 7.396 -9.241 -10.030 1.00 0.00 N ATOM 0 H LYS A 57 8.564 -8.207 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 57 5.870 -7.802 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.827 -10.133 -5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.249 -10.134 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.042 -7.708 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.385 -9.154 -7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.523 -8.131 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.673 -7.308 -8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.349 -10.344 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.335 -9.292 -9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.050 -9.561 -10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.695 -8.247 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.205 -9.828 -9.741 1.00 0.00 H new ATOM 743 N ASN A 58 6.335 -10.016 -2.796 1.00 0.00 N ATOM 744 CA ASN A 58 5.628 -10.869 -1.796 1.00 0.00 C ATOM 745 C ASN A 58 4.630 -10.017 -1.013 1.00 0.00 C ATOM 746 O ASN A 58 3.540 -10.453 -0.698 1.00 0.00 O ATOM 747 CB ASN A 58 6.659 -11.442 -0.813 1.00 0.00 C ATOM 748 CG ASN A 58 7.563 -12.448 -1.529 1.00 0.00 C ATOM 749 OD1 ASN A 58 8.573 -12.864 -0.993 1.00 0.00 O ATOM 750 ND2 ASN A 58 7.250 -12.855 -2.726 1.00 0.00 N ATOM 0 H ASN A 58 7.343 -9.942 -2.658 1.00 0.00 H new ATOM 0 HA ASN A 58 5.104 -11.674 -2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.260 -10.636 -0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.149 -11.927 0.020 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.851 -13.521 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.404 -12.508 -3.178 1.00 0.00 H new ATOM 757 N LEU A 59 5.007 -8.812 -0.688 1.00 0.00 N ATOM 758 CA LEU A 59 4.103 -7.918 0.097 1.00 0.00 C ATOM 759 C LEU A 59 3.138 -7.206 -0.844 1.00 0.00 C ATOM 760 O LEU A 59 3.356 -6.076 -1.240 1.00 0.00 O ATOM 761 CB LEU A 59 4.954 -6.893 0.855 1.00 0.00 C ATOM 762 CG LEU A 59 6.053 -7.614 1.649 1.00 0.00 C ATOM 763 CD1 LEU A 59 6.915 -6.581 2.382 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.420 -8.565 2.676 1.00 0.00 C ATOM 0 H LEU A 59 5.909 -8.403 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 59 3.525 -8.508 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.402 -6.189 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.325 -6.313 1.531 1.00 0.00 H new ATOM 0 HG LEU A 59 6.672 -8.188 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.695 -7.092 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.373 -5.909 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.291 -6.006 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.206 -9.072 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.796 -7.994 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.808 -9.304 2.159 1.00 0.00 H new ATOM 776 N SER A 60 2.068 -7.871 -1.197 1.00 0.00 N ATOM 777 CA SER A 60 1.055 -7.270 -2.120 1.00 0.00 C ATOM 778 C SER A 60 -0.077 -6.650 -1.319 1.00 0.00 C ATOM 779 O SER A 60 -0.429 -7.116 -0.258 1.00 0.00 O ATOM 780 CB SER A 60 0.485 -8.357 -3.031 1.00 0.00 C ATOM 781 OG SER A 60 -0.170 -9.344 -2.245 1.00 0.00 O ATOM 0 H SER A 60 1.849 -8.816 -0.882 1.00 0.00 H new ATOM 0 HA SER A 60 1.538 -6.499 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.216 -7.919 -3.741 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.285 -8.814 -3.613 1.00 0.00 H new ATOM 0 HG SER A 60 -0.536 -10.039 -2.831 1.00 0.00 H new ATOM 787 N PHE A 61 -0.658 -5.601 -1.837 1.00 0.00 N ATOM 788 CA PHE A 61 -1.781 -4.920 -1.123 1.00 0.00 C ATOM 789 C PHE A 61 -2.942 -4.684 -2.083 1.00 0.00 C ATOM 790 O PHE A 61 -2.761 -4.255 -3.201 1.00 0.00 O ATOM 791 CB PHE A 61 -1.283 -3.560 -0.565 1.00 0.00 C ATOM 792 CG PHE A 61 -1.698 -3.411 0.884 1.00 0.00 C ATOM 793 CD1 PHE A 61 -3.001 -3.749 1.275 1.00 0.00 C ATOM 794 CD2 PHE A 61 -0.780 -2.964 1.833 1.00 0.00 C ATOM 795 CE1 PHE A 61 -3.385 -3.633 2.607 1.00 0.00 C ATOM 796 CE2 PHE A 61 -1.163 -2.852 3.172 1.00 0.00 C ATOM 797 CZ PHE A 61 -2.466 -3.188 3.560 1.00 0.00 C ATOM 0 H PHE A 61 -0.402 -5.182 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.122 -5.551 -0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.198 -3.498 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.695 -2.742 -1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.709 -4.101 0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.225 -2.705 1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.392 -3.887 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.453 -2.506 3.909 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.760 -3.103 4.596 1.00 0.00 H new ATOM 807 N THR A 62 -4.139 -4.938 -1.628 1.00 0.00 N ATOM 808 CA THR A 62 -5.347 -4.721 -2.474 1.00 0.00 C ATOM 809 C THR A 62 -6.368 -3.872 -1.721 1.00 0.00 C ATOM 810 O THR A 62 -6.721 -4.149 -0.592 1.00 0.00 O ATOM 811 CB THR A 62 -5.963 -6.069 -2.835 1.00 0.00 C ATOM 812 OG1 THR A 62 -4.985 -6.870 -3.488 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.148 -5.842 -3.773 1.00 0.00 C ATOM 0 H THR A 62 -4.333 -5.292 -0.691 1.00 0.00 H new ATOM 0 HA THR A 62 -5.057 -4.198 -3.385 1.00 0.00 H new ATOM 0 HB THR A 62 -6.304 -6.576 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.476 -6.317 -4.117 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.593 -6.802 -4.035 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.892 -5.220 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.805 -5.342 -4.679 1.00 0.00 H new ATOM 821 N ALA A 63 -6.844 -2.842 -2.362 1.00 0.00 N ATOM 822 CA ALA A 63 -7.855 -1.937 -1.739 1.00 0.00 C ATOM 823 C ALA A 63 -8.878 -1.517 -2.794 1.00 0.00 C ATOM 824 O ALA A 63 -8.580 -1.418 -3.968 1.00 0.00 O ATOM 825 CB ALA A 63 -7.160 -0.700 -1.176 1.00 0.00 C ATOM 0 H ALA A 63 -6.571 -2.583 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.362 -2.462 -0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.901 -0.042 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.433 -1.003 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.650 -0.171 -1.981 1.00 0.00 H new ATOM 831 N GLY A 64 -10.090 -1.282 -2.371 1.00 0.00 N ATOM 832 CA GLY A 64 -11.176 -0.882 -3.316 1.00 0.00 C ATOM 833 C GLY A 64 -11.244 0.642 -3.444 1.00 0.00 C ATOM 834 O GLY A 64 -11.189 1.376 -2.469 1.00 0.00 O ATOM 0 H GLY A 64 -10.380 -1.351 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.996 -1.327 -4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.133 -1.266 -2.962 1.00 0.00 H new ATOM 838 N LYS A 65 -11.374 1.106 -4.658 1.00 0.00 N ATOM 839 CA LYS A 65 -11.457 2.569 -4.939 1.00 0.00 C ATOM 840 C LYS A 65 -10.485 3.342 -4.051 1.00 0.00 C ATOM 841 O LYS A 65 -9.283 3.288 -4.230 1.00 0.00 O ATOM 842 CB LYS A 65 -12.882 3.080 -4.682 1.00 0.00 C ATOM 843 CG LYS A 65 -13.877 2.338 -5.575 1.00 0.00 C ATOM 844 CD LYS A 65 -15.266 2.966 -5.428 1.00 0.00 C ATOM 845 CE LYS A 65 -16.287 2.169 -6.244 1.00 0.00 C ATOM 846 NZ LYS A 65 -17.643 2.765 -6.064 1.00 0.00 N ATOM 0 H LYS A 65 -11.427 0.516 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.194 2.727 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.145 2.936 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.933 4.151 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.554 2.385 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.912 1.284 -5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.559 2.981 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.244 4.001 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.012 2.177 -7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.291 1.127 -5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.337 2.224 -6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.905 2.735 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.634 3.753 -6.390 1.00 0.00 H new ATOM 860 N ASP A 66 -11.004 4.072 -3.104 1.00 0.00 N ATOM 861 CA ASP A 66 -10.143 4.873 -2.193 1.00 0.00 C ATOM 862 C ASP A 66 -9.605 3.980 -1.076 1.00 0.00 C ATOM 863 O ASP A 66 -8.422 3.721 -0.997 1.00 0.00 O ATOM 864 CB ASP A 66 -10.974 6.011 -1.582 1.00 0.00 C ATOM 865 CG ASP A 66 -12.260 5.454 -0.954 1.00 0.00 C ATOM 866 OD1 ASP A 66 -12.635 4.344 -1.294 1.00 0.00 O ATOM 867 OD2 ASP A 66 -12.847 6.153 -0.144 1.00 0.00 O ATOM 0 H ASP A 66 -12.005 4.148 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.307 5.289 -2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.388 6.533 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.224 6.742 -2.351 1.00 0.00 H new ATOM 872 N VAL A 67 -10.466 3.512 -0.212 1.00 0.00 N ATOM 873 CA VAL A 67 -10.024 2.633 0.911 1.00 0.00 C ATOM 874 C VAL A 67 -11.130 1.607 1.210 1.00 0.00 C ATOM 875 O VAL A 67 -11.100 0.926 2.217 1.00 0.00 O ATOM 876 CB VAL A 67 -9.767 3.500 2.158 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.874 2.738 3.141 1.00 0.00 C ATOM 878 CG2 VAL A 67 -9.070 4.798 1.746 1.00 0.00 C ATOM 0 H VAL A 67 -11.468 3.703 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.107 2.110 0.639 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.719 3.732 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.694 3.354 4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.368 1.813 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.923 2.503 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.889 5.410 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.120 4.564 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.704 5.346 1.049 1.00 0.00 H new ATOM 888 N LYS A 68 -12.105 1.498 0.345 1.00 0.00 N ATOM 889 CA LYS A 68 -13.226 0.533 0.574 1.00 0.00 C ATOM 890 C LYS A 68 -12.712 -0.899 0.526 1.00 0.00 C ATOM 891 O LYS A 68 -12.221 -1.365 -0.480 1.00 0.00 O ATOM 892 CB LYS A 68 -14.295 0.731 -0.507 1.00 0.00 C ATOM 893 CG LYS A 68 -15.494 -0.176 -0.214 1.00 0.00 C ATOM 894 CD LYS A 68 -16.594 0.068 -1.254 1.00 0.00 C ATOM 895 CE LYS A 68 -17.800 -0.826 -0.952 1.00 0.00 C ATOM 896 NZ LYS A 68 -18.881 -0.556 -1.943 1.00 0.00 N ATOM 0 H LYS A 68 -12.175 2.039 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.657 0.718 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.612 1.774 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.882 0.499 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.185 -1.221 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.876 0.023 0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.894 1.116 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.215 -0.142 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.508 -1.875 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.163 -0.636 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.700 -1.163 -1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.166 0.442 -1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.532 -0.758 -2.901 1.00 0.00 H new ATOM 910 N ILE A 69 -12.845 -1.591 1.622 1.00 0.00 N ATOM 911 CA ILE A 69 -12.391 -3.008 1.710 1.00 0.00 C ATOM 912 C ILE A 69 -10.908 -3.104 1.362 1.00 0.00 C ATOM 913 O ILE A 69 -10.465 -2.660 0.323 1.00 0.00 O ATOM 914 CB ILE A 69 -13.220 -3.876 0.760 1.00 0.00 C ATOM 915 CG1 ILE A 69 -14.682 -3.880 1.226 1.00 0.00 C ATOM 916 CG2 ILE A 69 -12.676 -5.305 0.770 1.00 0.00 C ATOM 917 CD1 ILE A 69 -15.572 -4.486 0.137 1.00 0.00 C ATOM 0 H ILE A 69 -13.259 -1.226 2.480 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.532 -3.368 2.729 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.160 -3.474 -0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -14.778 -4.454 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -15.005 -2.863 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.266 -5.924 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.636 -5.301 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.738 -5.711 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -16.609 -4.486 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -15.486 -3.894 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -15.255 -5.509 -0.064 1.00 0.00 H new ATOM 929 N PHE A 70 -10.135 -3.680 2.239 1.00 0.00 N ATOM 930 CA PHE A 70 -8.668 -3.813 1.997 1.00 0.00 C ATOM 931 C PHE A 70 -8.179 -5.182 2.445 1.00 0.00 C ATOM 932 O PHE A 70 -8.434 -5.620 3.547 1.00 0.00 O ATOM 933 CB PHE A 70 -7.918 -2.719 2.761 1.00 0.00 C ATOM 934 CG PHE A 70 -8.435 -2.631 4.179 1.00 0.00 C ATOM 935 CD1 PHE A 70 -9.527 -1.806 4.472 1.00 0.00 C ATOM 936 CD2 PHE A 70 -7.819 -3.367 5.199 1.00 0.00 C ATOM 937 CE1 PHE A 70 -10.005 -1.717 5.788 1.00 0.00 C ATOM 938 CE2 PHE A 70 -8.297 -3.278 6.515 1.00 0.00 C ATOM 939 CZ PHE A 70 -9.390 -2.453 6.808 1.00 0.00 C ATOM 0 H PHE A 70 -10.459 -4.069 3.124 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.477 -3.706 0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.850 -2.936 2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.046 -1.760 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -10.001 -1.238 3.685 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.976 -4.003 4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -10.848 -1.081 6.014 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.822 -3.845 7.302 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.759 -2.384 7.821 1.00 0.00 H new ATOM 949 N SER A 71 -7.463 -5.848 1.583 1.00 0.00 N ATOM 950 CA SER A 71 -6.916 -7.199 1.906 1.00 0.00 C ATOM 951 C SER A 71 -5.412 -7.211 1.652 1.00 0.00 C ATOM 952 O SER A 71 -4.894 -6.447 0.862 1.00 0.00 O ATOM 953 CB SER A 71 -7.586 -8.249 1.022 1.00 0.00 C ATOM 954 OG SER A 71 -8.961 -8.344 1.369 1.00 0.00 O ATOM 0 H SER A 71 -7.229 -5.508 0.650 1.00 0.00 H new ATOM 0 HA SER A 71 -7.113 -7.427 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.482 -7.977 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.098 -9.215 1.151 1.00 0.00 H new ATOM 0 HG SER A 71 -9.396 -9.016 0.803 1.00 0.00 H new ATOM 960 N SER A 72 -4.712 -8.075 2.328 1.00 0.00 N ATOM 961 CA SER A 72 -3.234 -8.155 2.156 1.00 0.00 C ATOM 962 C SER A 72 -2.735 -9.560 2.478 1.00 0.00 C ATOM 963 O SER A 72 -3.422 -10.360 3.085 1.00 0.00 O ATOM 964 CB SER A 72 -2.555 -7.157 3.088 1.00 0.00 C ATOM 965 OG SER A 72 -3.063 -7.320 4.406 1.00 0.00 O ATOM 0 H SER A 72 -5.103 -8.736 2.999 1.00 0.00 H new ATOM 0 HA SER A 72 -2.991 -7.920 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.476 -7.312 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.733 -6.139 2.741 1.00 0.00 H new ATOM 0 HG SER A 72 -2.626 -6.680 5.006 1.00 0.00 H new ATOM 971 N SER A 73 -1.538 -9.853 2.065 1.00 0.00 N ATOM 972 CA SER A 73 -0.946 -11.201 2.312 1.00 0.00 C ATOM 973 C SER A 73 -0.684 -11.395 3.802 1.00 0.00 C ATOM 974 O SER A 73 -0.671 -10.461 4.576 1.00 0.00 O ATOM 975 CB SER A 73 0.368 -11.333 1.537 1.00 0.00 C ATOM 976 OG SER A 73 1.188 -10.199 1.794 1.00 0.00 O ATOM 0 H SER A 73 -0.932 -9.208 1.558 1.00 0.00 H new ATOM 0 HA SER A 73 -1.647 -11.964 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.887 -12.245 1.833 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.166 -11.414 0.469 1.00 0.00 H new ATOM 0 HG SER A 73 2.029 -10.285 1.299 1.00 0.00 H new ATOM 982 N GLU A 74 -0.479 -12.618 4.200 1.00 0.00 N ATOM 983 CA GLU A 74 -0.225 -12.925 5.633 1.00 0.00 C ATOM 984 C GLU A 74 0.998 -12.143 6.116 1.00 0.00 C ATOM 985 O GLU A 74 0.966 -11.501 7.149 1.00 0.00 O ATOM 986 CB GLU A 74 0.058 -14.426 5.782 1.00 0.00 C ATOM 987 CG GLU A 74 -1.210 -15.224 5.468 1.00 0.00 C ATOM 988 CD GLU A 74 -0.905 -16.725 5.510 1.00 0.00 C ATOM 989 OE1 GLU A 74 0.247 -17.074 5.713 1.00 0.00 O ATOM 990 OE2 GLU A 74 -1.831 -17.502 5.338 1.00 0.00 O ATOM 0 H GLU A 74 -0.477 -13.430 3.583 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.097 -12.646 6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.862 -14.723 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.394 -14.644 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.990 -14.982 6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.589 -14.948 4.484 1.00 0.00 H new ATOM 997 N GLU A 75 2.069 -12.197 5.374 1.00 0.00 N ATOM 998 CA GLU A 75 3.311 -11.476 5.771 1.00 0.00 C ATOM 999 C GLU A 75 3.047 -9.970 5.794 1.00 0.00 C ATOM 1000 O GLU A 75 3.511 -9.267 6.669 1.00 0.00 O ATOM 1001 CB GLU A 75 4.421 -11.779 4.754 1.00 0.00 C ATOM 1002 CG GLU A 75 4.824 -13.253 4.859 1.00 0.00 C ATOM 1003 CD GLU A 75 5.884 -13.579 3.802 1.00 0.00 C ATOM 1004 OE1 GLU A 75 6.238 -12.689 3.047 1.00 0.00 O ATOM 1005 OE2 GLU A 75 6.325 -14.718 3.767 1.00 0.00 O ATOM 0 H GLU A 75 2.137 -12.716 4.499 1.00 0.00 H new ATOM 0 HA GLU A 75 3.619 -11.806 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.074 -11.557 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.285 -11.141 4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.214 -13.463 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.950 -13.889 4.719 1.00 0.00 H new ATOM 1012 N LEU A 76 2.317 -9.472 4.834 1.00 0.00 N ATOM 1013 CA LEU A 76 2.020 -8.012 4.785 1.00 0.00 C ATOM 1014 C LEU A 76 0.945 -7.655 5.815 1.00 0.00 C ATOM 1015 O LEU A 76 0.822 -6.517 6.230 1.00 0.00 O ATOM 1016 CB LEU A 76 1.531 -7.655 3.375 1.00 0.00 C ATOM 1017 CG LEU A 76 1.134 -6.172 3.302 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.296 -5.291 3.786 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.775 -5.798 1.846 1.00 0.00 C ATOM 0 H LEU A 76 1.910 -10.019 4.075 1.00 0.00 H new ATOM 0 HA LEU A 76 2.923 -7.448 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.316 -7.864 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.678 -8.279 3.111 1.00 0.00 H new ATOM 0 HG LEU A 76 0.268 -6.007 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.005 -4.242 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.541 -5.546 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.168 -5.459 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.494 -4.746 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.637 -5.972 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.060 -6.412 1.508 1.00 0.00 H new ATOM 1031 N ASP A 77 0.162 -8.610 6.215 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.911 -8.345 7.216 1.00 0.00 C ATOM 1033 C ASP A 77 -0.279 -8.120 8.591 1.00 0.00 C ATOM 1034 O ASP A 77 -0.744 -7.318 9.379 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.852 -9.555 7.269 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.972 -9.305 8.282 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -2.915 -8.300 8.969 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.874 -10.128 8.352 1.00 0.00 O ATOM 0 H ASP A 77 0.217 -9.575 5.890 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.474 -7.456 6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.277 -9.738 6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.293 -10.449 7.546 1.00 0.00 H new ATOM 1043 N LYS A 78 0.769 -8.841 8.887 1.00 0.00 N ATOM 1044 CA LYS A 78 1.445 -8.707 10.213 1.00 0.00 C ATOM 1045 C LYS A 78 2.344 -7.468 10.229 1.00 0.00 C ATOM 1046 O LYS A 78 2.879 -7.096 11.257 1.00 0.00 O ATOM 1047 CB LYS A 78 2.295 -9.959 10.480 1.00 0.00 C ATOM 1048 CG LYS A 78 3.231 -10.223 9.293 1.00 0.00 C ATOM 1049 CD LYS A 78 4.222 -11.345 9.646 1.00 0.00 C ATOM 1050 CE LYS A 78 3.509 -12.703 9.637 1.00 0.00 C ATOM 1051 NZ LYS A 78 4.520 -13.797 9.674 1.00 0.00 N ATOM 0 H LYS A 78 1.191 -9.526 8.260 1.00 0.00 H new ATOM 0 HA LYS A 78 0.686 -8.602 10.988 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.879 -9.825 11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.647 -10.821 10.641 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.649 -10.503 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.774 -9.313 9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.044 -11.353 8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.657 -11.161 10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.842 -12.781 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.891 -12.795 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.036 -14.717 9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.139 -13.726 8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.092 -13.712 10.539 1.00 0.00 H new ATOM 1065 N MET A 79 2.520 -6.833 9.105 1.00 0.00 N ATOM 1066 CA MET A 79 3.392 -5.621 9.052 1.00 0.00 C ATOM 1067 C MET A 79 2.788 -4.514 9.915 1.00 0.00 C ATOM 1068 O MET A 79 3.490 -3.836 10.635 1.00 0.00 O ATOM 1069 CB MET A 79 3.490 -5.133 7.601 1.00 0.00 C ATOM 1070 CG MET A 79 4.431 -6.043 6.811 1.00 0.00 C ATOM 1071 SD MET A 79 6.128 -5.807 7.399 1.00 0.00 S ATOM 1072 CE MET A 79 6.374 -4.135 6.745 1.00 0.00 C ATOM 0 H MET A 79 2.097 -7.100 8.216 1.00 0.00 H new ATOM 0 HA MET A 79 4.384 -5.872 9.427 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.502 -5.130 7.141 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.856 -4.107 7.577 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.134 -7.085 6.932 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.368 -5.815 5.747 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.431 -3.982 6.525 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.792 -4.012 5.832 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.048 -3.403 7.484 1.00 0.00 H new ATOM 1082 N PHE A 80 1.497 -4.331 9.846 1.00 0.00 N ATOM 1083 CA PHE A 80 0.837 -3.264 10.660 1.00 0.00 C ATOM 1084 C PHE A 80 0.152 -3.890 11.871 1.00 0.00 C ATOM 1085 O PHE A 80 -0.650 -4.795 11.755 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.187 -2.525 9.795 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.101 -3.518 9.118 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -2.236 -3.996 9.785 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -0.813 -3.960 7.821 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -3.080 -4.919 9.154 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -1.656 -4.884 7.192 1.00 0.00 C ATOM 1092 CZ PHE A 80 -2.790 -5.363 7.858 1.00 0.00 C ATOM 0 H PHE A 80 0.866 -4.876 9.259 1.00 0.00 H new ATOM 0 HA PHE A 80 1.587 -2.554 11.010 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.771 -1.842 10.412 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.325 -1.920 9.047 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.460 -3.653 10.784 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.060 -3.588 7.305 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.955 -5.289 9.668 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.431 -5.227 6.193 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.441 -6.075 7.373 1.00 0.00 H new ATOM 1102 N GLN A 81 0.477 -3.406 13.038 1.00 0.00 N ATOM 1103 CA GLN A 81 -0.121 -3.946 14.292 1.00 0.00 C ATOM 1104 C GLN A 81 -1.289 -3.050 14.725 1.00 0.00 C ATOM 1105 O GLN A 81 -2.004 -3.362 15.657 1.00 0.00 O ATOM 1106 CB GLN A 81 0.954 -3.951 15.391 1.00 0.00 C ATOM 1107 CG GLN A 81 0.563 -4.945 16.487 1.00 0.00 C ATOM 1108 CD GLN A 81 0.707 -6.371 15.952 1.00 0.00 C ATOM 1109 OE1 GLN A 81 -0.267 -7.087 15.822 1.00 0.00 O ATOM 1110 NE2 GLN A 81 1.889 -6.814 15.623 1.00 0.00 N ATOM 0 H GLN A 81 1.143 -2.646 13.178 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.486 -4.959 14.125 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.921 -4.223 14.967 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.061 -2.952 15.813 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.198 -4.807 17.362 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.464 -4.766 16.806 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.707 -6.214 15.732 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.995 -7.760 15.257 1.00 0.00 H new ATOM 1119 N GLU A 82 -1.482 -1.945 14.058 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.600 -1.011 14.418 1.00 0.00 C ATOM 1121 C GLU A 82 -3.344 -0.587 13.141 1.00 0.00 C ATOM 1122 O GLU A 82 -3.072 0.457 12.577 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.028 0.225 15.117 1.00 0.00 C ATOM 1124 CG GLU A 82 -1.609 -0.151 16.543 1.00 0.00 C ATOM 1125 CD GLU A 82 -0.769 0.973 17.156 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -0.919 2.105 16.726 1.00 0.00 O ATOM 1127 OE2 GLU A 82 0.012 0.680 18.046 1.00 0.00 O ATOM 0 H GLU A 82 -0.910 -1.642 13.270 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.295 -1.515 15.090 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.171 0.607 14.562 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.773 1.021 15.142 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.493 -0.331 17.155 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.036 -1.078 16.530 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.276 -1.392 12.691 1.00 0.00 N ATOM 1135 CA PRO A 83 -5.084 -1.101 11.462 1.00 0.00 C ATOM 1136 C PRO A 83 -5.785 0.259 11.516 1.00 0.00 C ATOM 1137 O PRO A 83 -6.320 0.656 12.532 1.00 0.00 O ATOM 1138 CB PRO A 83 -6.115 -2.244 11.425 1.00 0.00 C ATOM 1139 CG PRO A 83 -5.493 -3.350 12.213 1.00 0.00 C ATOM 1140 CD PRO A 83 -4.658 -2.675 13.299 1.00 0.00 C ATOM 0 HA PRO A 83 -4.455 -1.050 10.574 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.064 -1.934 11.861 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.322 -2.556 10.401 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.256 -3.994 12.651 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.871 -3.980 11.577 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.232 -2.530 14.214 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.784 -3.271 13.562 1.00 0.00 H new ATOM 1148 N ARG A 84 -5.771 0.967 10.422 1.00 0.00 N ATOM 1149 CA ARG A 84 -6.404 2.319 10.365 1.00 0.00 C ATOM 1150 C ARG A 84 -7.791 2.230 9.732 1.00 0.00 C ATOM 1151 O ARG A 84 -8.142 1.253 9.105 1.00 0.00 O ATOM 1152 CB ARG A 84 -5.507 3.250 9.542 1.00 0.00 C ATOM 1153 CG ARG A 84 -4.075 3.221 10.106 1.00 0.00 C ATOM 1154 CD ARG A 84 -3.983 4.072 11.383 1.00 0.00 C ATOM 1155 NE ARG A 84 -4.260 5.498 11.044 1.00 0.00 N ATOM 1156 CZ ARG A 84 -4.155 6.432 11.956 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -3.820 6.126 13.184 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -4.390 7.672 11.636 1.00 0.00 N ATOM 0 H ARG A 84 -5.341 0.663 9.549 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.516 2.713 11.375 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.503 2.938 8.498 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.899 4.267 9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.785 2.193 10.325 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.376 3.598 9.359 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.699 3.716 12.124 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.992 3.977 11.827 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.534 5.748 10.094 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.639 5.154 13.436 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.740 6.859 13.889 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.654 7.911 10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.310 8.405 12.341 1.00 0.00 H new ATOM 1172 N LYS A 85 -8.588 3.247 9.925 1.00 0.00 N ATOM 1173 CA LYS A 85 -9.981 3.251 9.382 1.00 0.00 C ATOM 1174 C LYS A 85 -10.031 3.876 7.981 1.00 0.00 C ATOM 1175 O LYS A 85 -9.276 3.514 7.101 1.00 0.00 O ATOM 1176 CB LYS A 85 -10.877 4.066 10.322 1.00 0.00 C ATOM 1177 CG LYS A 85 -10.708 3.578 11.766 1.00 0.00 C ATOM 1178 CD LYS A 85 -11.172 2.121 11.879 1.00 0.00 C ATOM 1179 CE LYS A 85 -11.394 1.760 13.347 1.00 0.00 C ATOM 1180 NZ LYS A 85 -11.865 0.348 13.443 1.00 0.00 N ATOM 0 H LYS A 85 -8.331 4.087 10.443 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.328 2.220 9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.621 5.123 10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.919 3.970 10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.664 3.661 12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.287 4.207 12.442 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.095 1.979 11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.427 1.457 11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.468 1.885 13.908 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.129 2.431 13.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.017 0.100 14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.758 0.244 12.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.149 -0.285 13.034 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.953 4.783 7.767 1.00 0.00 N ATOM 1195 CA GLY A 86 -11.121 5.423 6.423 1.00 0.00 C ATOM 1196 C GLY A 86 -10.136 6.574 6.210 1.00 0.00 C ATOM 1197 O GLY A 86 -9.444 7.008 7.113 1.00 0.00 O ATOM 0 H GLY A 86 -11.607 5.112 8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.977 4.674 5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.141 5.795 6.323 1.00 0.00 H new ATOM 1201 N TYR A 87 -10.076 7.062 4.993 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.147 8.175 4.643 1.00 0.00 C ATOM 1203 C TYR A 87 -9.488 9.431 5.452 1.00 0.00 C ATOM 1204 O TYR A 87 -8.611 10.126 5.931 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.271 8.514 3.151 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.388 9.703 2.846 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -6.996 9.544 2.817 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -8.951 10.963 2.609 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.170 10.643 2.549 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.124 12.061 2.338 1.00 0.00 C ATOM 1211 CZ TYR A 87 -6.734 11.901 2.310 1.00 0.00 C ATOM 1212 OH TYR A 87 -5.919 12.983 2.049 1.00 0.00 O ATOM 0 H TYR A 87 -10.645 6.726 4.215 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.131 7.852 4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.975 7.659 2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.307 8.740 2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.560 8.573 3.001 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.023 11.089 2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.097 10.519 2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.559 13.031 2.151 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.470 13.780 1.905 1.00 0.00 H new ATOM 1222 N ASP A 88 -10.742 9.742 5.576 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.141 10.966 6.322 1.00 0.00 C ATOM 1224 C ASP A 88 -10.725 10.834 7.783 1.00 0.00 C ATOM 1225 O ASP A 88 -10.300 11.788 8.405 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.661 11.134 6.238 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.066 12.451 6.901 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.204 13.088 7.481 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.233 12.803 6.816 1.00 0.00 O ATOM 0 H ASP A 88 -11.515 9.199 5.191 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.650 11.835 5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.981 11.125 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.158 10.298 6.731 1.00 0.00 H new ATOM 1234 N GLU A 89 -10.859 9.664 8.331 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.493 9.454 9.759 1.00 0.00 C ATOM 1236 C GLU A 89 -9.006 9.760 9.967 1.00 0.00 C ATOM 1237 O GLU A 89 -8.642 10.502 10.862 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.770 7.993 10.136 1.00 0.00 C ATOM 1239 CG GLU A 89 -10.575 7.798 11.645 1.00 0.00 C ATOM 1240 CD GLU A 89 -11.682 8.526 12.415 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -12.613 8.994 11.782 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -11.579 8.593 13.628 1.00 0.00 O ATOM 0 H GLU A 89 -11.209 8.836 7.849 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.085 10.119 10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.787 7.722 9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.100 7.333 9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.590 6.735 11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.600 8.180 11.946 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.145 9.201 9.153 1.00 0.00 N ATOM 1250 CA ILE A 90 -6.678 9.470 9.314 1.00 0.00 C ATOM 1251 C ILE A 90 -6.384 10.917 8.935 1.00 0.00 C ATOM 1252 O ILE A 90 -5.470 11.532 9.452 1.00 0.00 O ATOM 1253 CB ILE A 90 -5.856 8.533 8.409 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.318 8.662 6.953 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.011 7.079 8.869 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.453 7.761 6.055 1.00 0.00 C ATOM 0 H ILE A 90 -8.390 8.573 8.387 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.401 9.292 10.353 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.807 8.820 8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.367 8.378 6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.241 9.699 6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.425 6.428 8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.657 6.982 9.896 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.061 6.791 8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.783 7.854 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.409 8.065 6.132 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.553 6.724 6.376 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.153 11.458 8.036 1.00 0.00 N ATOM 1269 CA LEU A 91 -6.941 12.865 7.609 1.00 0.00 C ATOM 1270 C LEU A 91 -7.195 13.788 8.801 1.00 0.00 C ATOM 1271 O LEU A 91 -6.469 14.734 9.038 1.00 0.00 O ATOM 1272 CB LEU A 91 -7.929 13.205 6.480 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.739 14.662 6.035 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -6.300 14.864 5.530 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -8.729 14.995 4.914 1.00 0.00 C ATOM 0 H LEU A 91 -7.927 10.980 7.574 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.920 12.996 7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.772 12.535 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.952 13.052 6.823 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.921 15.323 6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.167 15.899 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.598 14.636 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.114 14.201 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.590 16.030 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.554 14.333 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.748 14.859 5.276 1.00 0.00 H new ATOM 1287 N GLU A 92 -8.230 13.509 9.542 1.00 0.00 N ATOM 1288 CA GLU A 92 -8.570 14.343 10.729 1.00 0.00 C ATOM 1289 C GLU A 92 -7.487 14.175 11.792 1.00 0.00 C ATOM 1290 O GLU A 92 -7.124 15.113 12.474 1.00 0.00 O ATOM 1291 CB GLU A 92 -9.918 13.879 11.305 1.00 0.00 C ATOM 1292 CG GLU A 92 -11.048 14.258 10.345 1.00 0.00 C ATOM 1293 CD GLU A 92 -12.378 13.698 10.859 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -12.363 13.018 11.872 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -13.390 13.962 10.231 1.00 0.00 O ATOM 0 H GLU A 92 -8.864 12.728 9.374 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.636 15.390 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.906 12.800 11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.086 14.339 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.111 15.342 10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.838 13.866 9.350 1.00 0.00 H new ATOM 1302 N HIS A 93 -6.975 12.983 11.934 1.00 0.00 N ATOM 1303 CA HIS A 93 -5.915 12.722 12.959 1.00 0.00 C ATOM 1304 C HIS A 93 -4.532 12.808 12.311 1.00 0.00 C ATOM 1305 O HIS A 93 -4.153 11.986 11.501 1.00 0.00 O ATOM 1306 CB HIS A 93 -6.127 11.325 13.558 1.00 0.00 C ATOM 1307 CG HIS A 93 -7.401 11.308 14.363 1.00 0.00 C ATOM 1308 ND1 HIS A 93 -8.610 10.887 13.831 1.00 0.00 N ATOM 1309 CD2 HIS A 93 -7.667 11.653 15.667 1.00 0.00 C ATOM 1310 CE1 HIS A 93 -9.538 10.987 14.799 1.00 0.00 C ATOM 1311 NE2 HIS A 93 -9.017 11.449 15.939 1.00 0.00 N ATOM 0 H HIS A 93 -7.246 12.170 11.381 1.00 0.00 H new ATOM 0 HA HIS A 93 -5.979 13.470 13.749 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -6.177 10.581 12.763 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -5.281 11.058 14.191 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -8.767 10.560 12.878 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -6.939 12.026 16.373 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -10.578 10.726 14.670 1.00 0.00 H new ATOM 1319 N HIS A 94 -3.779 13.814 12.676 1.00 0.00 N ATOM 1320 CA HIS A 94 -2.411 14.000 12.105 1.00 0.00 C ATOM 1321 C HIS A 94 -1.492 14.662 13.139 1.00 0.00 C ATOM 1322 O HIS A 94 -1.899 15.521 13.895 1.00 0.00 O ATOM 1323 CB HIS A 94 -2.510 14.879 10.860 1.00 0.00 C ATOM 1324 CG HIS A 94 -1.220 14.815 10.090 1.00 0.00 C ATOM 1325 ND1 HIS A 94 -0.126 15.601 10.413 1.00 0.00 N ATOM 1326 CD2 HIS A 94 -0.838 14.068 9.004 1.00 0.00 C ATOM 1327 CE1 HIS A 94 0.852 15.314 9.535 1.00 0.00 C ATOM 1328 NE2 HIS A 94 0.471 14.385 8.656 1.00 0.00 N ATOM 0 H HIS A 94 -4.058 14.523 13.354 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.992 13.029 11.840 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.336 14.545 10.232 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -2.723 15.909 11.146 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.459 13.344 8.497 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.827 15.779 9.541 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.022 13.992 7.893 1.00 0.00 H new ATOM 1336 N HIS A 95 -0.249 14.257 13.163 1.00 0.00 N ATOM 1337 CA HIS A 95 0.741 14.827 14.134 1.00 0.00 C ATOM 1338 C HIS A 95 1.579 15.903 13.434 1.00 0.00 C ATOM 1339 O HIS A 95 2.785 15.955 13.573 1.00 0.00 O ATOM 1340 CB HIS A 95 1.660 13.702 14.633 1.00 0.00 C ATOM 1341 CG HIS A 95 0.865 12.722 15.460 1.00 0.00 C ATOM 1342 ND1 HIS A 95 0.307 11.573 14.917 1.00 0.00 N ATOM 1343 CD2 HIS A 95 0.533 12.703 16.794 1.00 0.00 C ATOM 1344 CE1 HIS A 95 -0.324 10.918 15.910 1.00 0.00 C ATOM 1345 NE2 HIS A 95 -0.218 11.563 17.075 1.00 0.00 N ATOM 0 H HIS A 95 0.131 13.543 12.541 1.00 0.00 H new ATOM 0 HA HIS A 95 0.216 15.272 14.979 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.117 13.190 13.786 1.00 0.00 H new ATOM 0 HB3 HIS A 95 2.472 14.120 15.228 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.812 13.457 17.515 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.852 9.985 15.780 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.604 11.282 17.976 1.00 0.00 H new ATOM 1353 N HIS A 96 0.940 16.763 12.691 1.00 0.00 N ATOM 1354 CA HIS A 96 1.670 17.852 11.973 1.00 0.00 C ATOM 1355 C HIS A 96 2.347 18.772 12.992 1.00 0.00 C ATOM 1356 O HIS A 96 3.515 18.622 13.294 1.00 0.00 O ATOM 1357 CB HIS A 96 0.662 18.661 11.146 1.00 0.00 C ATOM 1358 CG HIS A 96 1.374 19.744 10.381 1.00 0.00 C ATOM 1359 ND1 HIS A 96 1.330 21.079 10.762 1.00 0.00 N ATOM 1360 CD2 HIS A 96 2.142 19.707 9.244 1.00 0.00 C ATOM 1361 CE1 HIS A 96 2.052 21.781 9.868 1.00 0.00 C ATOM 1362 NE2 HIS A 96 2.568 20.992 8.921 1.00 0.00 N ATOM 0 H HIS A 96 -0.070 16.760 12.547 1.00 0.00 H new ATOM 0 HA HIS A 96 2.428 17.421 11.319 1.00 0.00 H new ATOM 0 HB2 HIS A 96 0.135 18.003 10.455 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -0.089 19.101 11.802 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.380 18.815 8.684 1.00 0.00 H new ATOM 0 HE1 HIS A 96 2.196 22.850 9.911 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.149 21.272 8.131 1.00 0.00 H new ATOM 1370 N HIS A 97 1.619 19.724 13.508 1.00 0.00 N ATOM 1371 CA HIS A 97 2.190 20.678 14.505 1.00 0.00 C ATOM 1372 C HIS A 97 3.600 21.103 14.101 1.00 0.00 C ATOM 1373 O HIS A 97 4.032 20.903 12.984 1.00 0.00 O ATOM 1374 CB HIS A 97 2.222 20.032 15.894 1.00 0.00 C ATOM 1375 CG HIS A 97 2.952 18.718 15.835 1.00 0.00 C ATOM 1376 ND1 HIS A 97 4.330 18.644 15.699 1.00 0.00 N ATOM 1377 CD2 HIS A 97 2.511 17.420 15.898 1.00 0.00 C ATOM 1378 CE1 HIS A 97 4.666 17.342 15.684 1.00 0.00 C ATOM 1379 NE2 HIS A 97 3.596 16.552 15.803 1.00 0.00 N ATOM 0 H HIS A 97 0.638 19.885 13.278 1.00 0.00 H new ATOM 0 HA HIS A 97 1.554 21.563 14.534 1.00 0.00 H new ATOM 0 HB2 HIS A 97 2.713 20.699 16.603 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.205 19.876 16.255 1.00 0.00 H new ATOM 0 HD1 HIS A 97 4.972 19.433 15.624 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.480 17.118 16.005 1.00 0.00 H new ATOM 0 HE1 HIS A 97 5.679 16.979 15.587 1.00 0.00 H new ATOM 1387 N HIS A 98 4.310 21.707 15.010 1.00 0.00 N ATOM 1388 CA HIS A 98 5.694 22.181 14.719 1.00 0.00 C ATOM 1389 C HIS A 98 6.646 20.984 14.659 1.00 0.00 C ATOM 1390 O HIS A 98 6.869 20.374 15.688 1.00 0.00 O ATOM 1391 CB HIS A 98 6.133 23.145 15.830 1.00 0.00 C ATOM 1392 CG HIS A 98 7.524 23.643 15.551 1.00 0.00 C ATOM 1393 ND1 HIS A 98 7.784 24.604 14.586 1.00 0.00 N ATOM 1394 CD2 HIS A 98 8.739 23.324 16.100 1.00 0.00 C ATOM 1395 CE1 HIS A 98 9.111 24.827 14.585 1.00 0.00 C ATOM 1396 NE2 HIS A 98 9.741 24.072 15.489 1.00 0.00 N ATOM 1397 OXT HIS A 98 7.135 20.697 13.574 1.00 0.00 O ATOM 0 H HIS A 98 3.986 21.896 15.959 1.00 0.00 H new ATOM 0 HA HIS A 98 5.716 22.696 13.759 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.441 23.985 15.890 1.00 0.00 H new ATOM 0 HB3 HIS A 98 6.104 22.639 16.795 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.895 22.602 16.887 1.00 0.00 H new ATOM 0 HE1 HIS A 98 9.606 25.531 13.933 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.741 24.049 15.689 1.00 0.00 H new TER 1405 HIS A 98