USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 89 GLN : amide:sc= -0.452 K(o=-2,f=-2.7) USER MOD Set 1.2: A 90 GLN : amide:sc= -1.52 K(o=-2,f=-3.7!) USER MOD Set 2.1: A 57 GLN : amide:sc= 0.408 K(o=0.66,f=-1.3) USER MOD Set 2.2: A 88 GLN : amide:sc= 0.248 K(o=0.66,f=-2.5!) USER MOD Set 3.1: A 28 SER OG : rot -85:sc= 1.25 USER MOD Set 3.2: A 47 TYR OH : rot -175:sc= 0.88 USER MOD Set 3.3: A 51 GLN : amide:sc= 0.663 K(o=2.8,f=-0.29!) USER MOD Single : A 17 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2) USER MOD Single : A 19 ASN : amide:sc= 0.773 K(o=0.77,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.22) USER MOD Single : A 25 GLN : amide:sc= 1.01 K(o=1,f=-0.31) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.12) USER MOD Single : A 37 HIS : no HE2:sc= -0.307 K(o=-0.31,f=-4.6!) USER MOD Single : A 38 THR OG1 : rot -81:sc= 0.804 USER MOD Single : A 41 SER OG : rot -122:sc= 1.39 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 1.3 (180deg=0.329) USER MOD Single : A 44 MET CE :methyl 171:sc= -0.327 (180deg=-0.501) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -81:sc= -0.846 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0645 USER MOD Single : A 55 MET CE :methyl 170:sc=-0.00221 (180deg=-0.142) USER MOD Single : A 65 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.089) USER MOD Single : A 68 ASN : amide:sc= 1.16 K(o=1.2,f=-0.031) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 75 GLN : amide:sc= -0.0373 K(o=-0.037,f=-0.88) USER MOD Single : A 78 MET CE :methyl 171:sc= -1.1 (180deg=-1.17) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0807 USER MOD Single : B 357 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.21) USER MOD Single : B 358 ASN : amide:sc= -0.281 K(o=-0.28,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -4.393 23.280 5.299 1.00 10.00 N ATOM 2 CA ASP A 16 -5.699 22.582 5.296 1.00 10.00 C ATOM 3 C ASP A 16 -5.501 21.077 5.221 1.00 10.00 C ATOM 4 O ASP A 16 -4.392 20.601 4.969 1.00 10.00 O ATOM 5 CB ASP A 16 -6.545 23.041 4.109 1.00 10.00 C ATOM 6 CG ASP A 16 -6.972 24.484 4.239 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.178 24.767 4.080 1.00 10.00 O ATOM 8 OD2 ASP A 16 -6.104 25.341 4.507 1.00 10.00 O ATOM 0 HA ASP A 16 -6.215 22.828 6.224 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -5.976 22.913 3.188 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -7.429 22.408 4.028 1.00 10.00 H new ATOM 13 N HIS A 17 -6.577 20.335 5.437 1.00 10.00 N ATOM 14 CA HIS A 17 -6.530 18.882 5.384 1.00 10.00 C ATOM 15 C HIS A 17 -7.367 18.381 4.219 1.00 10.00 C ATOM 16 O HIS A 17 -8.395 18.974 3.889 1.00 10.00 O ATOM 17 CB HIS A 17 -7.049 18.273 6.687 1.00 10.00 C ATOM 18 CG HIS A 17 -6.087 18.359 7.831 1.00 10.00 C ATOM 19 ND1 HIS A 17 -6.461 18.887 9.041 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.794 17.959 7.906 1.00 10.00 C ATOM 21 CE1 HIS A 17 -5.400 18.800 9.821 1.00 10.00 C ATOM 22 NE2 HIS A 17 -4.363 18.241 9.178 1.00 10.00 N ATOM 0 H HIS A 17 -7.498 20.718 5.652 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.492 18.577 5.247 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.975 18.776 6.967 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.296 17.226 6.512 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -4.214 17.505 7.116 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -5.370 19.136 10.847 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -3.435 18.061 9.560 1.00 10.00 H new ATOM 30 N ILE A 18 -6.928 17.299 3.597 1.00 10.00 N ATOM 31 CA ILE A 18 -7.644 16.721 2.475 1.00 10.00 C ATOM 32 C ILE A 18 -7.985 15.261 2.761 1.00 10.00 C ATOM 33 O ILE A 18 -7.148 14.496 3.245 1.00 10.00 O ATOM 34 CB ILE A 18 -6.832 16.844 1.160 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.658 16.363 -0.035 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.520 16.079 1.245 1.00 10.00 C ATOM 37 CD1 ILE A 18 -6.950 16.516 -1.365 1.00 10.00 C ATOM 0 H ILE A 18 -6.075 16.802 3.853 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.571 17.280 2.344 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.596 17.898 1.015 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.915 15.314 0.111 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.595 16.920 -0.066 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -4.975 16.186 0.307 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.918 16.478 2.062 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.725 15.024 1.427 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.596 16.155 -2.165 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.717 17.567 -1.534 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.027 15.937 -1.355 1.00 10.00 H new ATOM 49 N ASN A 19 -9.229 14.894 2.507 1.00 10.00 N ATOM 50 CA ASN A 19 -9.687 13.531 2.733 1.00 10.00 C ATOM 51 C ASN A 19 -9.415 12.675 1.508 1.00 10.00 C ATOM 52 O ASN A 19 -9.884 12.981 0.415 1.00 10.00 O ATOM 53 CB ASN A 19 -11.186 13.507 3.045 1.00 10.00 C ATOM 54 CG ASN A 19 -11.527 14.173 4.362 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.585 13.522 5.405 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.755 15.475 4.325 1.00 10.00 N ATOM 0 H ASN A 19 -9.944 15.523 2.142 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.141 13.129 3.586 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.727 14.006 2.241 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.530 12.473 3.067 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.989 15.976 5.182 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.697 15.978 3.440 1.00 10.00 H new ATOM 63 N LEU A 20 -8.647 11.617 1.678 1.00 10.00 N ATOM 64 CA LEU A 20 -8.344 10.724 0.573 1.00 10.00 C ATOM 65 C LEU A 20 -8.834 9.319 0.889 1.00 10.00 C ATOM 66 O LEU A 20 -8.463 8.738 1.908 1.00 10.00 O ATOM 67 CB LEU A 20 -6.844 10.720 0.272 1.00 10.00 C ATOM 68 CG LEU A 20 -6.292 12.036 -0.288 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.834 11.881 -0.690 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.119 12.503 -1.477 1.00 10.00 C ATOM 0 H LEU A 20 -8.222 11.354 2.567 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.862 11.083 -0.316 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.305 10.478 1.188 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.634 9.923 -0.441 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.356 12.790 0.497 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.463 12.827 -1.085 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.245 11.595 0.181 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.748 11.110 -1.455 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.711 13.438 -1.859 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.089 11.746 -2.261 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.151 12.659 -1.163 1.00 10.00 H new ATOM 82 N LYS A 21 -9.682 8.786 0.021 1.00 10.00 N ATOM 83 CA LYS A 21 -10.236 7.458 0.219 1.00 10.00 C ATOM 84 C LYS A 21 -9.425 6.412 -0.531 1.00 10.00 C ATOM 85 O LYS A 21 -9.558 6.260 -1.747 1.00 10.00 O ATOM 86 CB LYS A 21 -11.694 7.407 -0.244 1.00 10.00 C ATOM 87 CG LYS A 21 -12.577 8.462 0.400 1.00 10.00 C ATOM 88 CD LYS A 21 -13.981 8.438 -0.183 1.00 10.00 C ATOM 89 CE LYS A 21 -14.743 9.708 0.151 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.040 9.791 -0.574 1.00 10.00 N ATOM 0 H LYS A 21 -10.000 9.255 -0.827 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.192 7.237 1.285 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.727 7.530 -1.327 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.102 6.421 -0.023 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.625 8.292 1.476 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.136 9.448 0.252 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.925 8.320 -1.265 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.522 7.575 0.204 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.925 9.749 1.225 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.131 10.574 -0.101 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.557 10.639 -0.265 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.863 9.847 -1.597 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.608 8.945 -0.367 1.00 10.00 H new ATOM 104 N VAL A 22 -8.569 5.717 0.191 1.00 10.00 N ATOM 105 CA VAL A 22 -7.754 4.666 -0.395 1.00 10.00 C ATOM 106 C VAL A 22 -8.458 3.336 -0.170 1.00 10.00 C ATOM 107 O VAL A 22 -8.804 3.004 0.966 1.00 10.00 O ATOM 108 CB VAL A 22 -6.341 4.621 0.220 1.00 10.00 C ATOM 109 CG1 VAL A 22 -5.419 3.731 -0.593 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.765 6.021 0.338 1.00 10.00 C ATOM 0 H VAL A 22 -8.418 5.860 1.189 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.634 4.868 -1.459 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.423 4.195 1.220 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -4.430 3.718 -0.136 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -5.820 2.718 -0.618 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.344 4.117 -1.610 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.767 5.968 0.774 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.705 6.474 -0.651 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.409 6.627 0.976 1.00 10.00 H new ATOM 120 N ALA A 23 -8.691 2.588 -1.234 1.00 10.00 N ATOM 121 CA ALA A 23 -9.390 1.320 -1.112 1.00 10.00 C ATOM 122 C ALA A 23 -8.577 0.152 -1.648 1.00 10.00 C ATOM 123 O ALA A 23 -7.874 0.269 -2.654 1.00 10.00 O ATOM 124 CB ALA A 23 -10.733 1.397 -1.822 1.00 10.00 C ATOM 0 H ALA A 23 -8.410 2.833 -2.183 1.00 10.00 H new ATOM 0 HA ALA A 23 -9.546 1.137 -0.049 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.251 0.443 -1.726 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.338 2.185 -1.372 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.574 1.619 -2.877 1.00 10.00 H new ATOM 130 N GLY A 24 -8.676 -0.969 -0.953 1.00 10.00 N ATOM 131 CA GLY A 24 -7.981 -2.170 -1.361 1.00 10.00 C ATOM 132 C GLY A 24 -8.875 -3.055 -2.206 1.00 10.00 C ATOM 133 O GLY A 24 -10.043 -2.734 -2.421 1.00 10.00 O ATOM 0 H GLY A 24 -9.232 -1.069 -0.104 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.088 -1.903 -1.927 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -7.648 -2.719 -0.480 1.00 10.00 H new ATOM 137 N GLN A 25 -8.345 -4.181 -2.666 1.00 10.00 N ATOM 138 CA GLN A 25 -9.119 -5.095 -3.505 1.00 10.00 C ATOM 139 C GLN A 25 -9.989 -6.032 -2.667 1.00 10.00 C ATOM 140 O GLN A 25 -10.803 -6.779 -3.205 1.00 10.00 O ATOM 141 CB GLN A 25 -8.189 -5.905 -4.414 1.00 10.00 C ATOM 142 CG GLN A 25 -7.371 -5.037 -5.359 1.00 10.00 C ATOM 143 CD GLN A 25 -8.227 -4.110 -6.207 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.307 -4.481 -6.672 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.757 -2.889 -6.393 1.00 10.00 N ATOM 0 H GLN A 25 -7.390 -4.484 -2.476 1.00 10.00 H new ATOM 0 HA GLN A 25 -9.783 -4.491 -4.123 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.513 -6.497 -3.797 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.784 -6.607 -4.998 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -6.667 -4.442 -4.778 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.782 -5.679 -6.014 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -6.858 -2.622 -5.991 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.293 -2.214 -6.939 1.00 10.00 H new ATOM 154 N ASP A 26 -9.823 -5.985 -1.353 1.00 10.00 N ATOM 155 CA ASP A 26 -10.605 -6.835 -0.458 1.00 10.00 C ATOM 156 C ASP A 26 -11.842 -6.093 0.047 1.00 10.00 C ATOM 157 O ASP A 26 -12.779 -6.707 0.562 1.00 10.00 O ATOM 158 CB ASP A 26 -9.750 -7.300 0.725 1.00 10.00 C ATOM 159 CG ASP A 26 -9.550 -6.213 1.761 1.00 10.00 C ATOM 160 OD1 ASP A 26 -9.168 -5.088 1.373 1.00 10.00 O ATOM 161 OD2 ASP A 26 -9.773 -6.479 2.960 1.00 10.00 O ATOM 0 H ASP A 26 -9.158 -5.372 -0.882 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.930 -7.710 -1.020 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -10.224 -8.162 1.195 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -8.778 -7.631 0.359 1.00 10.00 H new ATOM 166 N GLY A 27 -11.838 -4.774 -0.102 1.00 10.00 N ATOM 167 CA GLY A 27 -12.967 -3.978 0.339 1.00 10.00 C ATOM 168 C GLY A 27 -12.606 -2.998 1.440 1.00 10.00 C ATOM 169 O GLY A 27 -13.471 -2.278 1.941 1.00 10.00 O ATOM 0 H GLY A 27 -11.074 -4.242 -0.520 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.371 -3.428 -0.511 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -13.756 -4.641 0.694 1.00 10.00 H new ATOM 173 N SER A 28 -11.340 -2.972 1.832 1.00 10.00 N ATOM 174 CA SER A 28 -10.896 -2.060 2.877 1.00 10.00 C ATOM 175 C SER A 28 -10.799 -0.629 2.360 1.00 10.00 C ATOM 176 O SER A 28 -10.144 -0.366 1.354 1.00 10.00 O ATOM 177 CB SER A 28 -9.535 -2.498 3.435 1.00 10.00 C ATOM 178 OG SER A 28 -8.629 -2.823 2.390 1.00 10.00 O ATOM 0 H SER A 28 -10.607 -3.567 1.446 1.00 10.00 H new ATOM 0 HA SER A 28 -11.639 -2.091 3.674 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.116 -1.699 4.047 1.00 10.00 H new ATOM 0 HB3 SER A 28 -9.668 -3.362 4.086 1.00 10.00 H new ATOM 0 HG SER A 28 -8.766 -3.754 2.115 1.00 10.00 H new ATOM 184 N VAL A 29 -11.477 0.284 3.036 1.00 10.00 N ATOM 185 CA VAL A 29 -11.435 1.691 2.673 1.00 10.00 C ATOM 186 C VAL A 29 -10.888 2.473 3.859 1.00 10.00 C ATOM 187 O VAL A 29 -11.312 2.261 5.000 1.00 10.00 O ATOM 188 CB VAL A 29 -12.823 2.236 2.239 1.00 10.00 C ATOM 189 CG1 VAL A 29 -13.841 2.139 3.367 1.00 10.00 C ATOM 190 CG2 VAL A 29 -12.708 3.670 1.738 1.00 10.00 C ATOM 0 H VAL A 29 -12.065 0.075 3.842 1.00 10.00 H new ATOM 0 HA VAL A 29 -10.784 1.810 1.807 1.00 10.00 H new ATOM 0 HB VAL A 29 -13.179 1.612 1.420 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -14.800 2.530 3.026 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -13.958 1.096 3.663 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.495 2.721 4.221 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -13.692 4.031 1.439 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.315 4.303 2.534 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.034 3.703 0.882 1.00 10.00 H new ATOM 200 N VAL A 30 -9.925 3.344 3.609 1.00 10.00 N ATOM 201 CA VAL A 30 -9.317 4.101 4.687 1.00 10.00 C ATOM 202 C VAL A 30 -9.686 5.576 4.658 1.00 10.00 C ATOM 203 O VAL A 30 -9.872 6.174 3.595 1.00 10.00 O ATOM 204 CB VAL A 30 -7.773 3.984 4.681 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.335 2.529 4.678 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.180 4.723 3.493 1.00 10.00 C ATOM 0 H VAL A 30 -9.552 3.542 2.681 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.716 3.657 5.599 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.400 4.447 5.594 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.246 2.477 4.674 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.719 2.032 5.569 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -7.725 2.033 3.789 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.094 4.627 3.510 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -7.568 4.296 2.568 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.452 5.777 3.548 1.00 10.00 H new ATOM 216 N GLN A 31 -9.805 6.139 5.849 1.00 10.00 N ATOM 217 CA GLN A 31 -10.088 7.553 6.017 1.00 10.00 C ATOM 218 C GLN A 31 -8.758 8.246 6.255 1.00 10.00 C ATOM 219 O GLN A 31 -8.328 8.419 7.396 1.00 10.00 O ATOM 220 CB GLN A 31 -11.036 7.791 7.196 1.00 10.00 C ATOM 221 CG GLN A 31 -11.480 9.241 7.341 1.00 10.00 C ATOM 222 CD GLN A 31 -11.804 9.613 8.773 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.256 8.782 9.566 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.565 10.869 9.118 1.00 10.00 N ATOM 0 H GLN A 31 -9.708 5.628 6.726 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.582 7.949 5.130 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.917 7.161 7.075 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.543 7.477 8.116 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.693 9.897 6.969 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -12.358 9.412 6.718 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.191 11.524 8.431 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -11.755 11.181 10.070 1.00 10.00 H new ATOM 233 N PHE A 32 -8.092 8.592 5.169 1.00 10.00 N ATOM 234 CA PHE A 32 -6.784 9.215 5.244 1.00 10.00 C ATOM 235 C PHE A 32 -6.861 10.705 5.541 1.00 10.00 C ATOM 236 O PHE A 32 -7.473 11.473 4.795 1.00 10.00 O ATOM 237 CB PHE A 32 -6.019 8.988 3.942 1.00 10.00 C ATOM 238 CG PHE A 32 -4.599 8.566 4.157 1.00 10.00 C ATOM 239 CD1 PHE A 32 -4.213 7.252 3.960 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.651 9.489 4.560 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.902 6.865 4.163 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.343 9.107 4.763 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.968 7.797 4.565 1.00 10.00 C ATOM 0 H PHE A 32 -8.438 8.451 4.220 1.00 10.00 H new ATOM 0 HA PHE A 32 -6.256 8.745 6.074 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.532 8.227 3.355 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -6.033 9.906 3.355 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -4.943 6.522 3.645 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.939 10.518 4.717 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -2.610 5.837 4.008 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.611 9.836 5.078 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.942 7.499 4.725 1.00 10.00 H new ATOM 253 N LYS A 33 -6.238 11.093 6.646 1.00 10.00 N ATOM 254 CA LYS A 33 -6.167 12.488 7.056 1.00 10.00 C ATOM 255 C LYS A 33 -4.786 13.021 6.697 1.00 10.00 C ATOM 256 O LYS A 33 -3.846 12.917 7.484 1.00 10.00 O ATOM 257 CB LYS A 33 -6.417 12.626 8.566 1.00 10.00 C ATOM 258 CG LYS A 33 -6.576 14.065 9.040 1.00 10.00 C ATOM 259 CD LYS A 33 -7.985 14.581 8.795 1.00 10.00 C ATOM 260 CE LYS A 33 -8.210 15.922 9.477 1.00 10.00 C ATOM 261 NZ LYS A 33 -9.628 16.354 9.406 1.00 10.00 N ATOM 0 H LYS A 33 -5.768 10.449 7.283 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.937 13.062 6.541 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.316 12.067 8.827 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.588 12.167 9.104 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -6.345 14.126 10.103 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -5.859 14.701 8.521 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.156 14.683 7.723 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -8.710 13.856 9.166 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -7.904 15.853 10.521 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -7.578 16.677 9.009 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -9.736 17.272 9.883 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -9.914 16.446 8.410 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -10.230 15.648 9.875 1.00 10.00 H new ATOM 275 N ILE A 34 -4.663 13.562 5.497 1.00 10.00 N ATOM 276 CA ILE A 34 -3.388 14.071 5.018 1.00 10.00 C ATOM 277 C ILE A 34 -3.524 15.535 4.565 1.00 10.00 C ATOM 278 O ILE A 34 -4.637 16.035 4.408 1.00 10.00 O ATOM 279 CB ILE A 34 -2.880 13.179 3.846 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.519 13.641 3.313 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.905 13.150 2.719 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.890 12.669 2.341 1.00 10.00 C ATOM 0 H ILE A 34 -5.432 13.660 4.835 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.663 14.038 5.831 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.749 12.172 4.241 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.639 14.607 2.822 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.841 13.792 4.153 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.536 12.523 1.907 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.845 12.744 3.093 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -4.068 14.162 2.350 1.00 10.00 H new ATOM 0 HD11 ILE A 34 0.070 13.060 2.005 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.738 11.709 2.834 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.548 12.536 1.482 1.00 10.00 H new ATOM 294 N LYS A 35 -2.400 16.223 4.390 1.00 10.00 N ATOM 295 CA LYS A 35 -2.417 17.606 3.930 1.00 10.00 C ATOM 296 C LYS A 35 -2.329 17.628 2.405 1.00 10.00 C ATOM 297 O LYS A 35 -2.118 16.590 1.779 1.00 10.00 O ATOM 298 CB LYS A 35 -1.252 18.397 4.531 1.00 10.00 C ATOM 299 CG LYS A 35 -1.345 18.609 6.037 1.00 10.00 C ATOM 300 CD LYS A 35 -0.264 19.563 6.523 1.00 10.00 C ATOM 301 CE LYS A 35 -0.248 19.685 8.039 1.00 10.00 C ATOM 302 NZ LYS A 35 0.922 20.471 8.513 1.00 10.00 N ATOM 0 H LYS A 35 -1.468 15.846 4.560 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.346 18.074 4.255 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.321 17.876 4.307 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -1.199 19.370 4.042 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.327 19.007 6.291 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.247 17.652 6.549 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.709 19.214 6.178 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.424 20.547 6.082 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.168 20.162 8.376 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -0.223 18.690 8.484 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 0.977 20.420 9.550 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 1.793 20.080 8.100 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.815 21.463 8.220 1.00 10.00 H new ATOM 316 N ARG A 36 -2.456 18.803 1.808 1.00 10.00 N ATOM 317 CA ARG A 36 -2.406 18.915 0.353 1.00 10.00 C ATOM 318 C ARG A 36 -0.983 19.152 -0.153 1.00 10.00 C ATOM 319 O ARG A 36 -0.781 19.634 -1.266 1.00 10.00 O ATOM 320 CB ARG A 36 -3.338 20.036 -0.128 1.00 10.00 C ATOM 321 CG ARG A 36 -4.815 19.744 0.100 1.00 10.00 C ATOM 322 CD ARG A 36 -5.698 20.881 -0.401 1.00 10.00 C ATOM 323 NE ARG A 36 -5.763 20.928 -1.863 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.874 20.695 -2.573 1.00 10.00 C ATOM 325 NH1 ARG A 36 -8.012 20.368 -1.967 1.00 10.00 N ATOM 326 NH2 ARG A 36 -6.843 20.784 -3.894 1.00 10.00 N ATOM 0 H ARG A 36 -2.593 19.686 2.300 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.746 17.966 -0.061 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -3.076 20.960 0.387 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.170 20.205 -1.192 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -5.086 18.820 -0.411 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.995 19.585 1.163 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.704 20.762 0.002 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -5.314 21.829 -0.025 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.908 21.152 -2.373 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -8.045 20.292 -0.950 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.852 20.193 -2.519 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -5.974 21.030 -4.368 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -7.688 20.607 -4.437 1.00 10.00 H new ATOM 340 N HIS A 37 0.007 18.791 0.655 1.00 10.00 N ATOM 341 CA HIS A 37 1.401 18.971 0.259 1.00 10.00 C ATOM 342 C HIS A 37 2.243 17.738 0.599 1.00 10.00 C ATOM 343 O HIS A 37 3.252 17.472 -0.058 1.00 10.00 O ATOM 344 CB HIS A 37 1.996 20.235 0.913 1.00 10.00 C ATOM 345 CG HIS A 37 2.645 20.008 2.250 1.00 10.00 C ATOM 346 ND1 HIS A 37 4.010 20.019 2.393 1.00 10.00 N ATOM 347 CD2 HIS A 37 2.078 19.745 3.453 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.241 19.767 3.671 1.00 10.00 C ATOM 349 NE2 HIS A 37 3.100 19.592 4.350 1.00 10.00 N ATOM 0 H HIS A 37 -0.125 18.377 1.578 1.00 10.00 H new ATOM 0 HA HIS A 37 1.423 19.100 -0.823 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.734 20.665 0.235 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.203 20.974 1.031 1.00 10.00 H new ATOM 0 HD1 HIS A 37 4.703 20.187 1.664 1.00 10.00 H new ATOM 0 HD2 HIS A 37 1.021 19.670 3.663 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.226 19.710 4.111 1.00 10.00 H new ATOM 357 N THR A 38 1.821 16.995 1.621 1.00 10.00 N ATOM 358 CA THR A 38 2.535 15.801 2.058 1.00 10.00 C ATOM 359 C THR A 38 2.675 14.787 0.915 1.00 10.00 C ATOM 360 O THR A 38 1.689 14.432 0.272 1.00 10.00 O ATOM 361 CB THR A 38 1.804 15.153 3.252 1.00 10.00 C ATOM 362 OG1 THR A 38 1.325 16.179 4.136 1.00 10.00 O ATOM 363 CG2 THR A 38 2.720 14.207 4.017 1.00 10.00 C ATOM 0 H THR A 38 0.983 17.203 2.164 1.00 10.00 H new ATOM 0 HA THR A 38 3.536 16.102 2.368 1.00 10.00 H new ATOM 0 HB THR A 38 0.966 14.574 2.864 1.00 10.00 H new ATOM 0 HG1 THR A 38 2.055 16.475 4.719 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.174 13.767 4.852 1.00 10.00 H new ATOM 0 HG22 THR A 38 3.064 13.415 3.351 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.579 14.760 4.397 1.00 10.00 H new ATOM 371 N PRO A 39 3.913 14.337 0.639 1.00 10.00 N ATOM 372 CA PRO A 39 4.203 13.374 -0.435 1.00 10.00 C ATOM 373 C PRO A 39 3.328 12.124 -0.377 1.00 10.00 C ATOM 374 O PRO A 39 3.122 11.542 0.692 1.00 10.00 O ATOM 375 CB PRO A 39 5.667 13.006 -0.193 1.00 10.00 C ATOM 376 CG PRO A 39 6.242 14.180 0.516 1.00 10.00 C ATOM 377 CD PRO A 39 5.135 14.747 1.354 1.00 10.00 C ATOM 0 HA PRO A 39 4.004 13.803 -1.417 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.753 12.100 0.407 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.188 12.817 -1.132 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.088 13.884 1.137 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.611 14.920 -0.193 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.157 14.351 2.369 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.208 15.832 1.434 1.00 10.00 H new ATOM 385 N LEU A 40 2.844 11.700 -1.542 1.00 10.00 N ATOM 386 CA LEU A 40 1.987 10.524 -1.641 1.00 10.00 C ATOM 387 C LEU A 40 2.773 9.249 -1.341 1.00 10.00 C ATOM 388 O LEU A 40 2.189 8.196 -1.081 1.00 10.00 O ATOM 389 CB LEU A 40 1.341 10.443 -3.026 1.00 10.00 C ATOM 390 CG LEU A 40 0.275 11.505 -3.304 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.152 11.464 -4.762 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.928 11.310 -2.391 1.00 10.00 C ATOM 0 H LEU A 40 3.033 12.157 -2.434 1.00 10.00 H new ATOM 0 HA LEU A 40 1.197 10.618 -0.896 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.123 10.528 -3.781 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.890 9.458 -3.143 1.00 10.00 H new ATOM 0 HG LEU A 40 0.707 12.484 -3.099 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -0.910 12.226 -4.941 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.711 11.655 -5.399 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.564 10.482 -4.993 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.675 12.075 -2.604 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.359 10.324 -2.563 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.612 11.391 -1.351 1.00 10.00 H new ATOM 404 N SER A 41 4.097 9.349 -1.373 1.00 10.00 N ATOM 405 CA SER A 41 4.957 8.215 -1.074 1.00 10.00 C ATOM 406 C SER A 41 4.745 7.779 0.370 1.00 10.00 C ATOM 407 O SER A 41 4.683 6.586 0.676 1.00 10.00 O ATOM 408 CB SER A 41 6.415 8.599 -1.300 1.00 10.00 C ATOM 409 OG SER A 41 6.552 10.011 -1.371 1.00 10.00 O ATOM 0 H SER A 41 4.597 10.207 -1.604 1.00 10.00 H new ATOM 0 HA SER A 41 4.706 7.386 -1.735 1.00 10.00 H new ATOM 0 HB2 SER A 41 7.030 8.208 -0.489 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.778 8.146 -2.222 1.00 10.00 H new ATOM 0 HG SER A 41 6.954 10.258 -2.230 1.00 10.00 H new ATOM 415 N LYS A 42 4.608 8.766 1.253 1.00 10.00 N ATOM 416 CA LYS A 42 4.381 8.509 2.666 1.00 10.00 C ATOM 417 C LYS A 42 3.010 7.871 2.847 1.00 10.00 C ATOM 418 O LYS A 42 2.812 7.013 3.704 1.00 10.00 O ATOM 419 CB LYS A 42 4.473 9.817 3.459 1.00 10.00 C ATOM 420 CG LYS A 42 4.670 9.618 4.950 1.00 10.00 C ATOM 421 CD LYS A 42 4.762 10.951 5.673 1.00 10.00 C ATOM 422 CE LYS A 42 4.907 10.778 7.176 1.00 10.00 C ATOM 423 NZ LYS A 42 6.160 10.079 7.560 1.00 10.00 N ATOM 0 H LYS A 42 4.651 9.755 1.009 1.00 10.00 H new ATOM 0 HA LYS A 42 5.144 7.827 3.040 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.300 10.410 3.069 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.563 10.394 3.296 1.00 10.00 H new ATOM 0 HG2 LYS A 42 3.841 9.038 5.355 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.578 9.042 5.126 1.00 10.00 H new ATOM 0 HD2 LYS A 42 5.614 11.513 5.289 1.00 10.00 H new ATOM 0 HD3 LYS A 42 3.870 11.540 5.461 1.00 10.00 H new ATOM 0 HE2 LYS A 42 4.883 11.758 7.653 1.00 10.00 H new ATOM 0 HE3 LYS A 42 4.053 10.217 7.556 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 6.369 10.266 8.561 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 6.045 9.056 7.416 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 6.945 10.425 6.972 1.00 10.00 H new ATOM 437 N LEU A 43 2.079 8.285 1.998 1.00 10.00 N ATOM 438 CA LEU A 43 0.717 7.773 2.022 1.00 10.00 C ATOM 439 C LEU A 43 0.704 6.298 1.629 1.00 10.00 C ATOM 440 O LEU A 43 0.068 5.472 2.290 1.00 10.00 O ATOM 441 CB LEU A 43 -0.164 8.584 1.068 1.00 10.00 C ATOM 442 CG LEU A 43 -1.670 8.451 1.292 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.383 9.720 0.860 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.230 7.253 0.538 1.00 10.00 C ATOM 0 H LEU A 43 2.247 8.984 1.275 1.00 10.00 H new ATOM 0 HA LEU A 43 0.320 7.868 3.033 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.108 9.636 1.156 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.062 8.281 0.046 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.840 8.295 2.357 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.455 9.610 1.026 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.011 10.563 1.442 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.196 9.900 -0.199 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.303 7.181 0.714 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.045 7.376 -0.529 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.743 6.343 0.888 1.00 10.00 H new ATOM 456 N MET A 44 1.416 5.980 0.552 1.00 10.00 N ATOM 457 CA MET A 44 1.499 4.607 0.061 1.00 10.00 C ATOM 458 C MET A 44 2.098 3.697 1.125 1.00 10.00 C ATOM 459 O MET A 44 1.570 2.618 1.407 1.00 10.00 O ATOM 460 CB MET A 44 2.347 4.539 -1.215 1.00 10.00 C ATOM 461 CG MET A 44 1.746 5.298 -2.389 1.00 10.00 C ATOM 462 SD MET A 44 2.510 4.872 -3.969 1.00 10.00 S ATOM 463 CE MET A 44 4.152 5.552 -3.754 1.00 10.00 C ATOM 0 H MET A 44 1.945 6.656 0.001 1.00 10.00 H new ATOM 0 HA MET A 44 0.489 4.268 -0.169 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.338 4.940 -1.004 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.479 3.495 -1.498 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.677 5.090 -2.440 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.854 6.369 -2.216 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.790 5.230 -4.577 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.096 6.641 -3.742 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.571 5.200 -2.812 1.00 10.00 H new ATOM 473 N LYS A 45 3.191 4.151 1.728 1.00 10.00 N ATOM 474 CA LYS A 45 3.870 3.388 2.768 1.00 10.00 C ATOM 475 C LYS A 45 2.975 3.207 3.992 1.00 10.00 C ATOM 476 O LYS A 45 2.986 2.148 4.619 1.00 10.00 O ATOM 477 CB LYS A 45 5.174 4.077 3.172 1.00 10.00 C ATOM 478 CG LYS A 45 6.221 4.074 2.074 1.00 10.00 C ATOM 479 CD LYS A 45 7.532 4.688 2.537 1.00 10.00 C ATOM 480 CE LYS A 45 7.403 6.186 2.768 1.00 10.00 C ATOM 481 NZ LYS A 45 8.684 6.786 3.218 1.00 10.00 N ATOM 0 H LYS A 45 3.627 5.048 1.513 1.00 10.00 H new ATOM 0 HA LYS A 45 4.099 2.403 2.362 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.959 5.107 3.457 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.581 3.581 4.053 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.397 3.050 1.743 1.00 10.00 H new ATOM 0 HG3 LYS A 45 5.845 4.627 1.213 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.854 4.204 3.459 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.305 4.500 1.792 1.00 10.00 H new ATOM 0 HE2 LYS A 45 7.079 6.669 1.846 1.00 10.00 H new ATOM 0 HE3 LYS A 45 6.631 6.374 3.515 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 8.556 7.808 3.365 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 8.981 6.342 4.111 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.414 6.629 2.494 1.00 10.00 H new ATOM 495 N ALA A 46 2.194 4.237 4.313 1.00 10.00 N ATOM 496 CA ALA A 46 1.293 4.194 5.462 1.00 10.00 C ATOM 497 C ALA A 46 0.272 3.071 5.317 1.00 10.00 C ATOM 498 O ALA A 46 0.102 2.257 6.226 1.00 10.00 O ATOM 499 CB ALA A 46 0.589 5.529 5.635 1.00 10.00 C ATOM 0 H ALA A 46 2.168 5.113 3.792 1.00 10.00 H new ATOM 0 HA ALA A 46 1.891 3.995 6.351 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.078 5.480 6.495 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.329 6.313 5.795 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.010 5.754 4.739 1.00 10.00 H new ATOM 505 N TYR A 47 -0.401 3.021 4.168 1.00 10.00 N ATOM 506 CA TYR A 47 -1.390 1.977 3.921 1.00 10.00 C ATOM 507 C TYR A 47 -0.709 0.615 3.874 1.00 10.00 C ATOM 508 O TYR A 47 -1.256 -0.390 4.337 1.00 10.00 O ATOM 509 CB TYR A 47 -2.153 2.231 2.615 1.00 10.00 C ATOM 510 CG TYR A 47 -3.139 1.131 2.275 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.876 0.227 1.250 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.318 0.984 2.991 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.764 -0.789 0.951 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.212 -0.030 2.695 1.00 10.00 C ATOM 515 CZ TYR A 47 -4.929 -0.912 1.676 1.00 10.00 C ATOM 516 OH TYR A 47 -5.811 -1.931 1.388 1.00 10.00 O ATOM 0 H TYR A 47 -0.280 3.684 3.402 1.00 10.00 H new ATOM 0 HA TYR A 47 -2.110 1.992 4.739 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.688 3.178 2.692 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.438 2.334 1.799 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.964 0.321 0.679 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.542 1.672 3.793 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.546 -1.483 0.153 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.127 -0.129 3.260 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.617 -1.831 1.936 1.00 10.00 H new ATOM 526 N CYS A 48 0.497 0.594 3.321 1.00 10.00 N ATOM 527 CA CYS A 48 1.273 -0.628 3.215 1.00 10.00 C ATOM 528 C CYS A 48 1.567 -1.200 4.598 1.00 10.00 C ATOM 529 O CYS A 48 1.476 -2.410 4.813 1.00 10.00 O ATOM 530 CB CYS A 48 2.578 -0.356 2.471 1.00 10.00 C ATOM 531 SG CYS A 48 3.282 -1.816 1.683 1.00 10.00 S ATOM 0 H CYS A 48 0.959 1.418 2.937 1.00 10.00 H new ATOM 0 HA CYS A 48 0.691 -1.360 2.656 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.401 0.406 1.712 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.306 0.055 3.171 1.00 10.00 H new ATOM 0 HG CYS A 48 3.938 -2.511 2.564 1.00 10.00 H new ATOM 537 N GLU A 49 1.900 -0.319 5.537 1.00 10.00 N ATOM 538 CA GLU A 49 2.197 -0.723 6.908 1.00 10.00 C ATOM 539 C GLU A 49 0.950 -1.280 7.583 1.00 10.00 C ATOM 540 O GLU A 49 1.032 -2.185 8.414 1.00 10.00 O ATOM 541 CB GLU A 49 2.737 0.464 7.708 1.00 10.00 C ATOM 542 CG GLU A 49 4.139 0.887 7.304 1.00 10.00 C ATOM 543 CD GLU A 49 5.215 0.023 7.923 1.00 10.00 C ATOM 544 OE1 GLU A 49 6.156 0.582 8.529 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.130 -1.218 7.815 1.00 10.00 O ATOM 0 H GLU A 49 1.971 0.685 5.372 1.00 10.00 H new ATOM 0 HA GLU A 49 2.957 -1.504 6.878 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.062 1.311 7.585 1.00 10.00 H new ATOM 0 HB3 GLU A 49 2.736 0.207 8.767 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.227 0.846 6.218 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.299 1.924 7.598 1.00 10.00 H new ATOM 552 N ARG A 50 -0.207 -0.739 7.212 1.00 10.00 N ATOM 553 CA ARG A 50 -1.478 -1.183 7.774 1.00 10.00 C ATOM 554 C ARG A 50 -1.806 -2.603 7.309 1.00 10.00 C ATOM 555 O ARG A 50 -2.473 -3.357 8.012 1.00 10.00 O ATOM 556 CB ARG A 50 -2.602 -0.229 7.364 1.00 10.00 C ATOM 557 CG ARG A 50 -3.636 0.021 8.457 1.00 10.00 C ATOM 558 CD ARG A 50 -3.292 1.250 9.281 1.00 10.00 C ATOM 559 NE ARG A 50 -3.237 0.962 10.713 1.00 10.00 N ATOM 560 CZ ARG A 50 -4.274 1.072 11.544 1.00 10.00 C ATOM 561 NH1 ARG A 50 -5.488 1.353 11.082 1.00 10.00 N ATOM 562 NH2 ARG A 50 -4.098 0.878 12.844 1.00 10.00 N ATOM 0 H ARG A 50 -0.290 0.009 6.523 1.00 10.00 H new ATOM 0 HA ARG A 50 -1.390 -1.182 8.860 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -2.165 0.724 7.067 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -3.107 -0.635 6.487 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.620 0.148 8.006 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.695 -0.850 9.109 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.330 1.645 8.955 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.034 2.027 9.097 1.00 10.00 H new ATOM 0 HE ARG A 50 -2.345 0.656 11.103 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.635 1.487 10.082 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -6.273 1.435 11.728 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -3.172 0.646 13.204 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -4.888 0.961 13.484 1.00 10.00 H new ATOM 576 N GLN A 51 -1.338 -2.955 6.117 1.00 10.00 N ATOM 577 CA GLN A 51 -1.580 -4.284 5.566 1.00 10.00 C ATOM 578 C GLN A 51 -0.435 -5.236 5.910 1.00 10.00 C ATOM 579 O GLN A 51 -0.597 -6.456 5.876 1.00 10.00 O ATOM 580 CB GLN A 51 -1.757 -4.209 4.049 1.00 10.00 C ATOM 581 CG GLN A 51 -3.059 -3.549 3.621 1.00 10.00 C ATOM 582 CD GLN A 51 -4.266 -4.461 3.760 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.287 -5.370 4.590 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.288 -4.220 2.953 1.00 10.00 N ATOM 0 H GLN A 51 -0.790 -2.341 5.515 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.496 -4.670 6.012 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.921 -3.656 3.621 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -1.717 -5.217 3.636 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -3.218 -2.652 4.220 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -2.972 -3.228 2.583 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.235 -3.458 2.277 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.128 -4.796 3.007 1.00 10.00 H new ATOM 593 N GLY A 52 0.721 -4.669 6.231 1.00 10.00 N ATOM 594 CA GLY A 52 1.879 -5.471 6.587 1.00 10.00 C ATOM 595 C GLY A 52 2.547 -6.091 5.376 1.00 10.00 C ATOM 596 O GLY A 52 3.118 -7.182 5.461 1.00 10.00 O ATOM 0 H GLY A 52 0.879 -3.662 6.252 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.600 -4.848 7.117 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.574 -6.260 7.274 1.00 10.00 H new ATOM 600 N LEU A 53 2.496 -5.392 4.253 1.00 10.00 N ATOM 601 CA LEU A 53 3.092 -5.883 3.019 1.00 10.00 C ATOM 602 C LEU A 53 4.204 -4.950 2.556 1.00 10.00 C ATOM 603 O LEU A 53 4.560 -4.000 3.256 1.00 10.00 O ATOM 604 CB LEU A 53 2.021 -6.002 1.927 1.00 10.00 C ATOM 605 CG LEU A 53 0.838 -6.909 2.265 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.266 -6.749 1.233 1.00 10.00 C ATOM 607 CD2 LEU A 53 1.283 -8.357 2.341 1.00 10.00 C ATOM 0 H LEU A 53 2.047 -4.480 4.170 1.00 10.00 H new ATOM 0 HA LEU A 53 3.519 -6.868 3.209 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.641 -5.005 1.705 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.493 -6.373 1.017 1.00 10.00 H new ATOM 0 HG LEU A 53 0.447 -6.616 3.239 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.101 -7.402 1.489 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.606 -5.713 1.221 1.00 10.00 H new ATOM 0 HD13 LEU A 53 0.115 -7.017 0.248 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.428 -8.988 2.583 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.698 -8.661 1.380 1.00 10.00 H new ATOM 0 HD23 LEU A 53 2.043 -8.464 3.115 1.00 10.00 H new ATOM 619 N SER A 54 4.750 -5.224 1.380 1.00 10.00 N ATOM 620 CA SER A 54 5.805 -4.398 0.816 1.00 10.00 C ATOM 621 C SER A 54 5.222 -3.488 -0.255 1.00 10.00 C ATOM 622 O SER A 54 4.322 -3.894 -0.997 1.00 10.00 O ATOM 623 CB SER A 54 6.916 -5.273 0.222 1.00 10.00 C ATOM 624 OG SER A 54 7.880 -4.484 -0.457 1.00 10.00 O ATOM 0 H SER A 54 4.478 -6.015 0.797 1.00 10.00 H new ATOM 0 HA SER A 54 6.239 -3.789 1.609 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.400 -5.840 1.017 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.483 -5.997 -0.468 1.00 10.00 H new ATOM 0 HG SER A 54 8.578 -5.065 -0.825 1.00 10.00 H new ATOM 630 N MET A 55 5.731 -2.262 -0.339 1.00 10.00 N ATOM 631 CA MET A 55 5.249 -1.298 -1.323 1.00 10.00 C ATOM 632 C MET A 55 5.585 -1.755 -2.740 1.00 10.00 C ATOM 633 O MET A 55 5.057 -1.230 -3.717 1.00 10.00 O ATOM 634 CB MET A 55 5.843 0.087 -1.060 1.00 10.00 C ATOM 635 CG MET A 55 5.043 1.223 -1.681 1.00 10.00 C ATOM 636 SD MET A 55 5.647 2.852 -1.192 1.00 10.00 S ATOM 637 CE MET A 55 7.236 2.894 -2.022 1.00 10.00 C ATOM 0 H MET A 55 6.477 -1.913 0.263 1.00 10.00 H new ATOM 0 HA MET A 55 4.165 -1.235 -1.228 1.00 10.00 H new ATOM 0 HB2 MET A 55 5.908 0.246 0.016 1.00 10.00 H new ATOM 0 HB3 MET A 55 6.861 0.116 -1.449 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.081 1.137 -2.767 1.00 10.00 H new ATOM 0 HG3 MET A 55 3.997 1.126 -1.390 1.00 10.00 H new ATOM 0 HE1 MET A 55 7.651 3.900 -1.963 1.00 10.00 H new ATOM 0 HE2 MET A 55 7.917 2.192 -1.540 1.00 10.00 H new ATOM 0 HE3 MET A 55 7.108 2.615 -3.068 1.00 10.00 H new ATOM 647 N ARG A 56 6.468 -2.741 -2.842 1.00 10.00 N ATOM 648 CA ARG A 56 6.861 -3.279 -4.133 1.00 10.00 C ATOM 649 C ARG A 56 5.872 -4.354 -4.577 1.00 10.00 C ATOM 650 O ARG A 56 5.858 -4.763 -5.738 1.00 10.00 O ATOM 651 CB ARG A 56 8.280 -3.849 -4.056 1.00 10.00 C ATOM 652 CG ARG A 56 8.819 -4.326 -5.393 1.00 10.00 C ATOM 653 CD ARG A 56 10.331 -4.453 -5.375 1.00 10.00 C ATOM 654 NE ARG A 56 10.856 -4.898 -6.666 1.00 10.00 N ATOM 655 CZ ARG A 56 11.249 -4.071 -7.640 1.00 10.00 C ATOM 656 NH1 ARG A 56 11.147 -2.755 -7.484 1.00 10.00 N ATOM 657 NH2 ARG A 56 11.736 -4.563 -8.773 1.00 10.00 N ATOM 0 H ARG A 56 6.924 -3.183 -2.044 1.00 10.00 H new ATOM 0 HA ARG A 56 6.851 -2.476 -4.870 1.00 10.00 H new ATOM 0 HB2 ARG A 56 8.948 -3.086 -3.657 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.290 -4.681 -3.352 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.376 -5.290 -5.641 1.00 10.00 H new ATOM 0 HG3 ARG A 56 8.522 -3.628 -6.175 1.00 10.00 H new ATOM 0 HD2 ARG A 56 10.773 -3.491 -5.115 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.627 -5.160 -4.600 1.00 10.00 H new ATOM 0 HE ARG A 56 10.927 -5.902 -6.833 1.00 10.00 H new ATOM 0 HH11 ARG A 56 10.768 -2.372 -6.618 1.00 10.00 H new ATOM 0 HH12 ARG A 56 11.448 -2.128 -8.230 1.00 10.00 H new ATOM 0 HH21 ARG A 56 11.810 -5.572 -8.900 1.00 10.00 H new ATOM 0 HH22 ARG A 56 12.036 -3.932 -9.516 1.00 10.00 H new ATOM 671 N GLN A 57 5.024 -4.789 -3.653 1.00 10.00 N ATOM 672 CA GLN A 57 4.032 -5.816 -3.948 1.00 10.00 C ATOM 673 C GLN A 57 2.734 -5.192 -4.451 1.00 10.00 C ATOM 674 O GLN A 57 2.029 -5.779 -5.272 1.00 10.00 O ATOM 675 CB GLN A 57 3.753 -6.659 -2.700 1.00 10.00 C ATOM 676 CG GLN A 57 2.838 -7.847 -2.961 1.00 10.00 C ATOM 677 CD GLN A 57 2.478 -8.606 -1.699 1.00 10.00 C ATOM 678 OE1 GLN A 57 3.231 -8.621 -0.723 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.323 -9.250 -1.714 1.00 10.00 N ATOM 0 H GLN A 57 5.003 -4.446 -2.692 1.00 10.00 H new ATOM 0 HA GLN A 57 4.434 -6.458 -4.732 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.699 -7.021 -2.297 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.303 -6.025 -1.936 1.00 10.00 H new ATOM 0 HG2 GLN A 57 1.924 -7.496 -3.441 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.325 -8.526 -3.661 1.00 10.00 H new ATOM 0 HE21 GLN A 57 0.729 -9.212 -2.542 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.026 -9.785 -0.897 1.00 10.00 H new ATOM 688 N ILE A 58 2.427 -3.998 -3.967 1.00 10.00 N ATOM 689 CA ILE A 58 1.205 -3.313 -4.364 1.00 10.00 C ATOM 690 C ILE A 58 1.490 -2.171 -5.333 1.00 10.00 C ATOM 691 O ILE A 58 2.628 -1.723 -5.470 1.00 10.00 O ATOM 692 CB ILE A 58 0.435 -2.774 -3.138 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.396 -2.106 -2.146 1.00 10.00 C ATOM 694 CG2 ILE A 58 -0.340 -3.898 -2.466 1.00 10.00 C ATOM 695 CD1 ILE A 58 0.725 -1.615 -0.881 1.00 10.00 C ATOM 0 H ILE A 58 3.004 -3.484 -3.301 1.00 10.00 H new ATOM 0 HA ILE A 58 0.584 -4.052 -4.871 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.276 -2.021 -3.478 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.179 -2.816 -1.879 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.884 -1.264 -2.638 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.878 -3.504 -1.604 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -1.051 -4.323 -3.174 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.353 -4.673 -2.138 1.00 10.00 H new ATOM 0 HD11 ILE A 58 1.468 -1.155 -0.230 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -0.039 -0.880 -1.136 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.261 -2.456 -0.365 1.00 10.00 H new ATOM 707 N ARG A 59 0.451 -1.731 -6.029 1.00 10.00 N ATOM 708 CA ARG A 59 0.558 -0.640 -6.992 1.00 10.00 C ATOM 709 C ARG A 59 -0.564 0.365 -6.778 1.00 10.00 C ATOM 710 O ARG A 59 -1.742 0.025 -6.902 1.00 10.00 O ATOM 711 CB ARG A 59 0.495 -1.170 -8.430 1.00 10.00 C ATOM 712 CG ARG A 59 1.689 -2.017 -8.836 1.00 10.00 C ATOM 713 CD ARG A 59 2.981 -1.214 -8.823 1.00 10.00 C ATOM 714 NE ARG A 59 4.117 -2.017 -9.264 1.00 10.00 N ATOM 715 CZ ARG A 59 4.784 -2.859 -8.471 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.466 -2.964 -7.188 1.00 10.00 N ATOM 717 NH2 ARG A 59 5.781 -3.584 -8.961 1.00 10.00 N ATOM 0 H ARG A 59 -0.489 -2.118 -5.943 1.00 10.00 H new ATOM 0 HA ARG A 59 1.520 -0.151 -6.837 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.413 -1.762 -8.547 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.415 -0.325 -9.113 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.781 -2.865 -8.157 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.524 -2.424 -9.834 1.00 10.00 H new ATOM 0 HD2 ARG A 59 2.876 -0.344 -9.471 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.168 -0.840 -7.816 1.00 10.00 H new ATOM 0 HE ARG A 59 4.419 -1.930 -10.234 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.709 -2.400 -6.802 1.00 10.00 H new ATOM 0 HH12 ARG A 59 4.979 -3.609 -6.587 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.039 -3.498 -9.944 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.290 -4.227 -8.355 1.00 10.00 H new ATOM 731 N PHE A 60 -0.200 1.596 -6.458 1.00 10.00 N ATOM 732 CA PHE A 60 -1.178 2.650 -6.234 1.00 10.00 C ATOM 733 C PHE A 60 -1.486 3.361 -7.543 1.00 10.00 C ATOM 734 O PHE A 60 -0.584 3.665 -8.328 1.00 10.00 O ATOM 735 CB PHE A 60 -0.672 3.647 -5.189 1.00 10.00 C ATOM 736 CG PHE A 60 -0.680 3.105 -3.788 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.214 2.116 -3.405 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.580 3.588 -2.852 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.208 1.622 -2.115 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.589 3.096 -1.561 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.695 2.111 -1.192 1.00 10.00 C ATOM 0 H PHE A 60 0.770 1.892 -6.347 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.094 2.198 -5.854 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.343 3.948 -5.448 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.290 4.544 -5.226 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.922 1.728 -4.123 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.283 4.358 -3.135 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.910 0.853 -1.828 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.295 3.482 -0.841 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.702 1.724 -0.184 1.00 10.00 H new ATOM 751 N ARG A 61 -2.762 3.618 -7.779 1.00 10.00 N ATOM 752 CA ARG A 61 -3.194 4.269 -9.003 1.00 10.00 C ATOM 753 C ARG A 61 -4.192 5.386 -8.711 1.00 10.00 C ATOM 754 O ARG A 61 -5.111 5.219 -7.911 1.00 10.00 O ATOM 755 CB ARG A 61 -3.826 3.226 -9.927 1.00 10.00 C ATOM 756 CG ARG A 61 -4.167 3.739 -11.317 1.00 10.00 C ATOM 757 CD ARG A 61 -4.929 2.693 -12.108 1.00 10.00 C ATOM 758 NE ARG A 61 -4.988 3.009 -13.534 1.00 10.00 N ATOM 759 CZ ARG A 61 -5.849 2.450 -14.382 1.00 10.00 C ATOM 760 NH1 ARG A 61 -6.732 1.562 -13.945 1.00 10.00 N ATOM 761 NH2 ARG A 61 -5.834 2.791 -15.665 1.00 10.00 N ATOM 0 H ARG A 61 -3.519 3.384 -7.136 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.327 4.718 -9.488 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -3.143 2.382 -10.022 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.735 2.849 -9.460 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -4.764 4.647 -11.237 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -3.252 4.005 -11.846 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.454 1.721 -11.973 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -5.942 2.610 -11.714 1.00 10.00 H new ATOM 0 HE ARG A 61 -4.331 3.698 -13.901 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -6.752 1.306 -12.958 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -7.391 1.135 -14.596 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -5.163 3.481 -16.001 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -6.494 2.363 -16.314 1.00 10.00 H new ATOM 775 N PHE A 62 -3.993 6.524 -9.359 1.00 10.00 N ATOM 776 CA PHE A 62 -4.878 7.665 -9.202 1.00 10.00 C ATOM 777 C PHE A 62 -5.628 7.894 -10.502 1.00 10.00 C ATOM 778 O PHE A 62 -5.008 8.148 -11.540 1.00 10.00 O ATOM 779 CB PHE A 62 -4.089 8.923 -8.816 1.00 10.00 C ATOM 780 CG PHE A 62 -4.878 10.199 -8.962 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.017 10.418 -8.201 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.483 11.171 -9.867 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.747 11.584 -8.343 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.206 12.339 -10.011 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.341 12.546 -9.249 1.00 10.00 C ATOM 0 H PHE A 62 -3.219 6.681 -10.004 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.586 7.457 -8.400 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.754 8.829 -7.783 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.195 8.986 -9.436 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.337 9.670 -7.490 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.599 11.013 -10.467 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.633 11.743 -7.747 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.885 13.090 -10.718 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.909 13.457 -9.361 1.00 10.00 H new ATOM 795 N ASP A 63 -6.953 7.785 -10.441 1.00 10.00 N ATOM 796 CA ASP A 63 -7.816 7.965 -11.610 1.00 10.00 C ATOM 797 C ASP A 63 -7.538 6.878 -12.647 1.00 10.00 C ATOM 798 O ASP A 63 -8.214 5.850 -12.679 1.00 10.00 O ATOM 799 CB ASP A 63 -7.626 9.361 -12.222 1.00 10.00 C ATOM 800 CG ASP A 63 -8.531 9.605 -13.415 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.762 9.667 -13.233 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.010 9.752 -14.542 1.00 10.00 O ATOM 0 H ASP A 63 -7.460 7.570 -9.582 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.853 7.879 -11.287 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.823 10.117 -11.461 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.587 9.480 -12.529 1.00 10.00 H new ATOM 807 N GLY A 64 -6.532 7.101 -13.475 1.00 10.00 N ATOM 808 CA GLY A 64 -6.173 6.136 -14.487 1.00 10.00 C ATOM 809 C GLY A 64 -4.673 6.033 -14.658 1.00 10.00 C ATOM 810 O GLY A 64 -4.183 5.213 -15.438 1.00 10.00 O ATOM 0 H GLY A 64 -5.954 7.941 -13.463 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.576 5.160 -14.218 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.629 6.418 -15.436 1.00 10.00 H new ATOM 814 N GLN A 65 -3.936 6.831 -13.900 1.00 10.00 N ATOM 815 CA GLN A 65 -2.483 6.841 -13.994 1.00 10.00 C ATOM 816 C GLN A 65 -1.842 6.392 -12.683 1.00 10.00 C ATOM 817 O GLN A 65 -2.406 6.596 -11.609 1.00 10.00 O ATOM 818 CB GLN A 65 -1.997 8.242 -14.364 1.00 10.00 C ATOM 819 CG GLN A 65 -2.188 8.579 -15.834 1.00 10.00 C ATOM 820 CD GLN A 65 -1.166 7.902 -16.723 1.00 10.00 C ATOM 821 OE1 GLN A 65 -1.370 6.779 -17.191 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.053 8.578 -16.961 1.00 10.00 N ATOM 0 H GLN A 65 -4.320 7.480 -13.213 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.186 6.138 -14.772 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.530 8.975 -13.759 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -0.940 8.330 -14.113 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.189 8.280 -16.145 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.122 9.659 -15.967 1.00 10.00 H new ATOM 0 HE21 GLN A 65 0.078 9.505 -16.555 1.00 10.00 H new ATOM 0 HE22 GLN A 65 0.674 8.172 -17.550 1.00 10.00 H new ATOM 831 N PRO A 66 -0.667 5.748 -12.759 1.00 10.00 N ATOM 832 CA PRO A 66 0.061 5.280 -11.575 1.00 10.00 C ATOM 833 C PRO A 66 0.637 6.440 -10.766 1.00 10.00 C ATOM 834 O PRO A 66 0.921 7.509 -11.312 1.00 10.00 O ATOM 835 CB PRO A 66 1.190 4.426 -12.163 1.00 10.00 C ATOM 836 CG PRO A 66 1.400 4.970 -13.531 1.00 10.00 C ATOM 837 CD PRO A 66 0.049 5.422 -14.008 1.00 10.00 C ATOM 0 HA PRO A 66 -0.583 4.735 -10.885 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.097 4.501 -11.563 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.915 3.372 -12.194 1.00 10.00 H new ATOM 0 HG2 PRO A 66 2.107 5.800 -13.517 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.814 4.210 -14.194 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.125 6.288 -14.665 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.461 4.639 -14.570 1.00 10.00 H new ATOM 845 N ILE A 67 0.806 6.228 -9.470 1.00 10.00 N ATOM 846 CA ILE A 67 1.345 7.260 -8.595 1.00 10.00 C ATOM 847 C ILE A 67 2.843 7.062 -8.387 1.00 10.00 C ATOM 848 O ILE A 67 3.304 5.943 -8.154 1.00 10.00 O ATOM 849 CB ILE A 67 0.631 7.266 -7.223 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.883 7.411 -7.414 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.169 8.391 -6.349 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.663 7.400 -6.117 1.00 10.00 C ATOM 0 H ILE A 67 0.578 5.352 -9.000 1.00 10.00 H new ATOM 0 HA ILE A 67 1.172 8.220 -9.081 1.00 10.00 H new ATOM 0 HB ILE A 67 0.828 6.318 -6.723 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.086 8.343 -7.942 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.240 6.600 -8.049 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.656 8.381 -5.387 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.238 8.250 -6.192 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.998 9.348 -6.842 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.726 7.507 -6.331 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.490 6.458 -5.597 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.335 8.227 -5.488 1.00 10.00 H new ATOM 864 N ASN A 68 3.597 8.146 -8.492 1.00 10.00 N ATOM 865 CA ASN A 68 5.037 8.091 -8.302 1.00 10.00 C ATOM 866 C ASN A 68 5.377 8.433 -6.858 1.00 10.00 C ATOM 867 O ASN A 68 4.566 9.025 -6.145 1.00 10.00 O ATOM 868 CB ASN A 68 5.759 9.063 -9.245 1.00 10.00 C ATOM 869 CG ASN A 68 5.441 8.819 -10.709 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.092 8.013 -11.379 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.445 9.526 -11.220 1.00 10.00 N ATOM 0 H ASN A 68 3.234 9.075 -8.708 1.00 10.00 H new ATOM 0 HA ASN A 68 5.372 7.080 -8.532 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.483 10.085 -8.985 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.835 8.975 -9.093 1.00 10.00 H new ATOM 0 HD21 ASN A 68 4.191 9.414 -12.202 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.931 10.182 -10.632 1.00 10.00 H new ATOM 878 N GLU A 69 6.582 8.089 -6.436 1.00 10.00 N ATOM 879 CA GLU A 69 7.019 8.357 -5.071 1.00 10.00 C ATOM 880 C GLU A 69 7.348 9.834 -4.874 1.00 10.00 C ATOM 881 O GLU A 69 7.636 10.276 -3.765 1.00 10.00 O ATOM 882 CB GLU A 69 8.232 7.494 -4.729 1.00 10.00 C ATOM 883 CG GLU A 69 7.947 6.001 -4.799 1.00 10.00 C ATOM 884 CD GLU A 69 9.187 5.189 -5.109 1.00 10.00 C ATOM 885 OE1 GLU A 69 9.839 4.705 -4.160 1.00 10.00 O ATOM 886 OE2 GLU A 69 9.518 5.039 -6.303 1.00 10.00 O ATOM 0 H GLU A 69 7.278 7.623 -7.018 1.00 10.00 H new ATOM 0 HA GLU A 69 6.200 8.104 -4.398 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.045 7.734 -5.414 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.576 7.745 -3.726 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.527 5.669 -3.849 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.193 5.814 -5.564 1.00 10.00 H new ATOM 893 N THR A 70 7.306 10.591 -5.955 1.00 10.00 N ATOM 894 CA THR A 70 7.595 12.014 -5.907 1.00 10.00 C ATOM 895 C THR A 70 6.340 12.845 -6.168 1.00 10.00 C ATOM 896 O THR A 70 6.408 14.068 -6.298 1.00 10.00 O ATOM 897 CB THR A 70 8.665 12.376 -6.945 1.00 10.00 C ATOM 898 OG1 THR A 70 8.686 11.377 -7.980 1.00 10.00 O ATOM 899 CG2 THR A 70 10.038 12.481 -6.294 1.00 10.00 C ATOM 0 H THR A 70 7.073 10.241 -6.884 1.00 10.00 H new ATOM 0 HA THR A 70 7.962 12.241 -4.906 1.00 10.00 H new ATOM 0 HB THR A 70 8.419 13.346 -7.378 1.00 10.00 H new ATOM 0 HG1 THR A 70 9.368 11.609 -8.644 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.780 12.739 -7.050 1.00 10.00 H new ATOM 0 HG22 THR A 70 10.018 13.254 -5.526 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.299 11.525 -5.840 1.00 10.00 H new ATOM 907 N ASP A 71 5.191 12.178 -6.230 1.00 10.00 N ATOM 908 CA ASP A 71 3.928 12.863 -6.491 1.00 10.00 C ATOM 909 C ASP A 71 3.293 13.349 -5.192 1.00 10.00 C ATOM 910 O ASP A 71 3.472 12.741 -4.133 1.00 10.00 O ATOM 911 CB ASP A 71 2.954 11.947 -7.238 1.00 10.00 C ATOM 912 CG ASP A 71 3.324 11.746 -8.699 1.00 10.00 C ATOM 913 OD1 ASP A 71 4.031 12.609 -9.267 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.908 10.720 -9.283 1.00 10.00 O ATOM 0 H ASP A 71 5.108 11.169 -6.104 1.00 10.00 H new ATOM 0 HA ASP A 71 4.144 13.728 -7.118 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.923 10.977 -6.741 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.950 12.368 -7.178 1.00 10.00 H new ATOM 919 N THR A 72 2.563 14.451 -5.281 1.00 10.00 N ATOM 920 CA THR A 72 1.886 15.032 -4.130 1.00 10.00 C ATOM 921 C THR A 72 0.428 15.318 -4.489 1.00 10.00 C ATOM 922 O THR A 72 0.086 15.374 -5.674 1.00 10.00 O ATOM 923 CB THR A 72 2.564 16.347 -3.674 1.00 10.00 C ATOM 924 OG1 THR A 72 2.506 17.324 -4.721 1.00 10.00 O ATOM 925 CG2 THR A 72 4.014 16.112 -3.272 1.00 10.00 C ATOM 0 H THR A 72 2.423 14.967 -6.150 1.00 10.00 H new ATOM 0 HA THR A 72 1.943 14.316 -3.310 1.00 10.00 H new ATOM 0 HB THR A 72 2.022 16.715 -2.803 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.936 18.152 -4.420 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.462 17.055 -2.957 1.00 10.00 H new ATOM 0 HG22 THR A 72 4.052 15.399 -2.448 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.567 15.714 -4.123 1.00 10.00 H new ATOM 933 N PRO A 73 -0.455 15.501 -3.486 1.00 10.00 N ATOM 934 CA PRO A 73 -1.872 15.796 -3.730 1.00 10.00 C ATOM 935 C PRO A 73 -2.059 17.075 -4.543 1.00 10.00 C ATOM 936 O PRO A 73 -3.015 17.208 -5.307 1.00 10.00 O ATOM 937 CB PRO A 73 -2.463 15.963 -2.325 1.00 10.00 C ATOM 938 CG PRO A 73 -1.513 15.260 -1.420 1.00 10.00 C ATOM 939 CD PRO A 73 -0.156 15.411 -2.045 1.00 10.00 C ATOM 0 HA PRO A 73 -2.355 15.010 -4.310 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.556 17.016 -2.059 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.461 15.529 -2.263 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.533 15.694 -0.421 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.780 14.208 -1.316 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.356 16.303 -1.684 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.488 14.561 -1.820 1.00 10.00 H new ATOM 947 N ALA A 74 -1.132 18.014 -4.375 1.00 10.00 N ATOM 948 CA ALA A 74 -1.184 19.277 -5.099 1.00 10.00 C ATOM 949 C ALA A 74 -0.624 19.113 -6.508 1.00 10.00 C ATOM 950 O ALA A 74 -1.082 19.761 -7.448 1.00 10.00 O ATOM 951 CB ALA A 74 -0.417 20.352 -4.347 1.00 10.00 C ATOM 0 H ALA A 74 -0.336 17.923 -3.743 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.227 19.584 -5.177 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.466 21.289 -4.902 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.858 20.491 -3.360 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.624 20.048 -4.239 1.00 10.00 H new ATOM 957 N GLN A 75 0.368 18.238 -6.646 1.00 10.00 N ATOM 958 CA GLN A 75 0.995 17.982 -7.936 1.00 10.00 C ATOM 959 C GLN A 75 -0.010 17.390 -8.917 1.00 10.00 C ATOM 960 O GLN A 75 -0.136 17.849 -10.049 1.00 10.00 O ATOM 961 CB GLN A 75 2.174 17.021 -7.769 1.00 10.00 C ATOM 962 CG GLN A 75 3.003 16.843 -9.029 1.00 10.00 C ATOM 963 CD GLN A 75 3.794 18.085 -9.387 1.00 10.00 C ATOM 964 OE1 GLN A 75 4.230 18.836 -8.512 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.987 18.308 -10.676 1.00 10.00 N ATOM 0 H GLN A 75 0.755 17.693 -5.876 1.00 10.00 H new ATOM 0 HA GLN A 75 1.355 18.931 -8.332 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.819 17.387 -6.970 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.796 16.048 -7.454 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.689 16.007 -8.893 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.345 16.584 -9.859 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.609 17.661 -11.368 1.00 10.00 H new ATOM 0 HE22 GLN A 75 4.514 19.127 -10.979 1.00 10.00 H new ATOM 974 N LEU A 76 -0.732 16.373 -8.467 1.00 10.00 N ATOM 975 CA LEU A 76 -1.726 15.719 -9.307 1.00 10.00 C ATOM 976 C LEU A 76 -3.036 16.496 -9.293 1.00 10.00 C ATOM 977 O LEU A 76 -3.964 16.176 -10.032 1.00 10.00 O ATOM 978 CB LEU A 76 -1.955 14.280 -8.835 1.00 10.00 C ATOM 979 CG LEU A 76 -0.716 13.383 -8.862 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.048 12.003 -8.316 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.164 13.276 -10.275 1.00 10.00 C ATOM 0 H LEU A 76 -0.649 15.984 -7.528 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.352 15.697 -10.330 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.344 14.306 -7.817 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.726 13.828 -9.459 1.00 10.00 H new ATOM 0 HG LEU A 76 0.048 13.833 -8.228 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.156 11.377 -8.342 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.398 12.093 -7.288 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.828 11.548 -8.926 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.717 12.634 -10.274 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -0.923 12.849 -10.931 1.00 10.00 H new ATOM 0 HD23 LEU A 76 0.110 14.268 -10.635 1.00 10.00 H new ATOM 993 N GLU A 77 -3.088 17.528 -8.450 1.00 10.00 N ATOM 994 CA GLU A 77 -4.266 18.379 -8.313 1.00 10.00 C ATOM 995 C GLU A 77 -5.497 17.550 -7.954 1.00 10.00 C ATOM 996 O GLU A 77 -6.456 17.455 -8.722 1.00 10.00 O ATOM 997 CB GLU A 77 -4.504 19.184 -9.595 1.00 10.00 C ATOM 998 CG GLU A 77 -5.492 20.325 -9.421 1.00 10.00 C ATOM 999 CD GLU A 77 -5.693 21.121 -10.690 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -5.587 20.538 -11.791 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -5.966 22.333 -10.592 1.00 10.00 O ATOM 0 H GLU A 77 -2.313 17.796 -7.843 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.085 19.082 -7.500 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -3.553 19.588 -9.943 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -4.869 18.513 -10.373 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -6.451 19.923 -9.093 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -5.138 20.989 -8.632 1.00 10.00 H new ATOM 1008 N MET A 78 -5.449 16.943 -6.779 1.00 10.00 N ATOM 1009 CA MET A 78 -6.548 16.122 -6.291 1.00 10.00 C ATOM 1010 C MET A 78 -7.471 16.966 -5.427 1.00 10.00 C ATOM 1011 O MET A 78 -7.066 18.017 -4.930 1.00 10.00 O ATOM 1012 CB MET A 78 -6.008 14.936 -5.487 1.00 10.00 C ATOM 1013 CG MET A 78 -4.987 14.103 -6.243 1.00 10.00 C ATOM 1014 SD MET A 78 -4.171 12.878 -5.201 1.00 10.00 S ATOM 1015 CE MET A 78 -5.550 11.813 -4.792 1.00 10.00 C ATOM 0 H MET A 78 -4.655 17.004 -6.141 1.00 10.00 H new ATOM 0 HA MET A 78 -7.109 15.735 -7.142 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.553 15.307 -4.569 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.841 14.297 -5.194 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.481 13.596 -7.072 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.235 14.763 -6.676 1.00 10.00 H new ATOM 0 HE1 MET A 78 -5.183 10.920 -4.286 1.00 10.00 H new ATOM 0 HE2 MET A 78 -6.238 12.345 -4.135 1.00 10.00 H new ATOM 0 HE3 MET A 78 -6.070 11.524 -5.705 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.702 16.515 -5.240 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.656 17.261 -4.435 1.00 10.00 C ATOM 1027 C GLU A 79 -10.045 16.482 -3.189 1.00 10.00 C ATOM 1028 O GLU A 79 -9.690 15.313 -3.037 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.906 17.607 -5.247 1.00 10.00 C ATOM 1030 CG GLU A 79 -11.074 19.099 -5.492 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.331 19.945 -4.476 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -10.722 19.947 -3.289 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -9.344 20.605 -4.861 1.00 10.00 O ATOM 0 H GLU A 79 -9.061 15.644 -5.631 1.00 10.00 H new ATOM 0 HA GLU A 79 -9.172 18.188 -4.128 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.861 17.092 -6.206 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.785 17.231 -4.724 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -10.716 19.342 -6.492 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -12.134 19.351 -5.463 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.772 17.146 -2.300 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.218 16.527 -1.057 1.00 10.00 C ATOM 1042 C ASP A 80 -12.161 15.370 -1.345 1.00 10.00 C ATOM 1043 O ASP A 80 -13.013 15.457 -2.231 1.00 10.00 O ATOM 1044 CB ASP A 80 -11.906 17.562 -0.163 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.070 17.082 1.266 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -13.220 16.991 1.739 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.048 16.811 1.930 1.00 10.00 O ATOM 0 H ASP A 80 -11.066 18.116 -2.416 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.344 16.139 -0.533 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.325 18.484 -0.168 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -12.886 17.800 -0.577 1.00 10.00 H new ATOM 1052 N GLU A 81 -11.972 14.282 -0.608 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.776 13.070 -0.743 1.00 10.00 C ATOM 1054 C GLU A 81 -12.495 12.359 -2.060 1.00 10.00 C ATOM 1055 O GLU A 81 -13.385 11.739 -2.646 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.270 13.369 -0.603 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.743 13.370 0.840 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.235 13.160 0.965 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.871 13.887 1.754 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.778 12.266 0.282 1.00 10.00 O ATOM 0 H GLU A 81 -11.249 14.214 0.108 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.488 12.404 0.070 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.484 14.340 -1.050 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.837 12.627 -1.165 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.223 12.585 1.389 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.473 14.318 1.306 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.250 12.433 -2.519 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.866 11.771 -3.759 1.00 10.00 C ATOM 1069 C ASP A 82 -10.658 10.282 -3.511 1.00 10.00 C ATOM 1070 O ASP A 82 -10.763 9.823 -2.373 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.604 12.393 -4.355 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.730 12.580 -5.851 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.806 11.560 -6.574 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.788 13.744 -6.304 1.00 10.00 O ATOM 0 H ASP A 82 -10.496 12.940 -2.055 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.673 11.905 -4.479 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.414 13.356 -3.882 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.746 11.756 -4.138 1.00 10.00 H new ATOM 1079 N THR A 83 -10.342 9.531 -4.559 1.00 10.00 N ATOM 1080 CA THR A 83 -10.163 8.093 -4.419 1.00 10.00 C ATOM 1081 C THR A 83 -8.821 7.620 -4.969 1.00 10.00 C ATOM 1082 O THR A 83 -8.310 8.160 -5.951 1.00 10.00 O ATOM 1083 CB THR A 83 -11.296 7.334 -5.135 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.412 8.211 -5.354 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.748 6.132 -4.320 1.00 10.00 C ATOM 0 H THR A 83 -10.206 9.889 -5.504 1.00 10.00 H new ATOM 0 HA THR A 83 -10.188 7.879 -3.351 1.00 10.00 H new ATOM 0 HB THR A 83 -10.914 6.980 -6.093 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.128 7.722 -5.811 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.548 5.614 -4.848 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.908 5.452 -4.178 1.00 10.00 H new ATOM 0 HG23 THR A 83 -12.112 6.467 -3.349 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.256 6.612 -4.316 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.989 6.028 -4.729 1.00 10.00 C ATOM 1095 C ILE A 84 -7.128 4.509 -4.805 1.00 10.00 C ATOM 1096 O ILE A 84 -7.534 3.867 -3.830 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.842 6.395 -3.757 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.629 7.913 -3.728 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.554 5.688 -4.161 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.664 8.372 -2.653 1.00 10.00 C ATOM 0 H ILE A 84 -8.663 6.178 -3.487 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.738 6.433 -5.709 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.120 6.064 -2.756 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.258 8.238 -4.700 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.590 8.403 -3.574 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.758 5.957 -3.467 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.708 4.609 -4.136 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.274 5.991 -5.170 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.563 9.457 -2.693 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.044 8.079 -1.674 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.690 7.911 -2.817 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.808 3.947 -5.963 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.907 2.504 -6.173 1.00 10.00 C ATOM 1114 C ASP A 85 -5.602 1.807 -5.810 1.00 10.00 C ATOM 1115 O ASP A 85 -4.517 2.319 -6.090 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.245 2.189 -7.635 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.623 2.666 -8.052 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -9.628 2.110 -7.556 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -8.707 3.578 -8.899 1.00 10.00 O ATOM 0 H ASP A 85 -6.477 4.468 -6.775 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.704 2.137 -5.526 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.498 2.651 -8.280 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -7.179 1.112 -7.791 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.709 0.644 -5.182 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.534 -0.130 -4.797 1.00 10.00 C ATOM 1126 C VAL A 86 -4.597 -1.525 -5.410 1.00 10.00 C ATOM 1127 O VAL A 86 -5.422 -2.351 -5.016 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.399 -0.265 -3.264 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.103 -0.971 -2.901 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.467 1.096 -2.592 1.00 10.00 C ATOM 0 H VAL A 86 -6.598 0.214 -4.927 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.664 0.410 -5.171 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.234 -0.866 -2.903 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -3.026 -1.056 -1.817 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.094 -1.966 -3.345 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.257 -0.397 -3.280 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.370 0.974 -1.513 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.657 1.725 -2.961 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.424 1.567 -2.819 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.734 -1.778 -6.380 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.688 -3.076 -7.044 1.00 10.00 C ATOM 1142 C PHE A 87 -2.497 -3.879 -6.546 1.00 10.00 C ATOM 1143 O PHE A 87 -1.695 -3.383 -5.754 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.599 -2.894 -8.561 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.790 -2.198 -9.155 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.948 -2.902 -9.435 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.750 -0.843 -9.435 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -7.043 -2.268 -9.984 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.842 -0.204 -9.984 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.990 -0.918 -10.259 1.00 10.00 C ATOM 0 H PHE A 87 -3.054 -1.102 -6.728 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.603 -3.619 -6.808 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.700 -2.324 -8.798 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.489 -3.872 -9.030 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.995 -3.960 -9.221 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.854 -0.280 -9.221 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.941 -2.828 -10.198 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.798 0.854 -10.198 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.846 -0.420 -10.689 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.388 -5.117 -6.999 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.279 -5.978 -6.604 1.00 10.00 C ATOM 1162 C GLN A 88 -0.470 -6.390 -7.820 1.00 10.00 C ATOM 1163 O GLN A 88 -1.004 -6.481 -8.928 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.784 -7.226 -5.877 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.131 -6.989 -4.419 1.00 10.00 C ATOM 1166 CD GLN A 88 -1.830 -8.192 -3.546 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -0.873 -8.932 -3.787 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -2.651 -8.397 -2.533 1.00 10.00 N ATOM 0 H GLN A 88 -3.052 -5.551 -7.640 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.644 -5.412 -5.923 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.666 -7.604 -6.394 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -1.022 -8.003 -5.937 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -1.572 -6.129 -4.051 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.189 -6.740 -4.337 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -3.430 -7.759 -2.371 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -2.506 -9.193 -1.912 1.00 10.00 H new ATOM 1177 N GLN A 89 0.813 -6.622 -7.612 1.00 10.00 N ATOM 1178 CA GLN A 89 1.692 -7.037 -8.690 1.00 10.00 C ATOM 1179 C GLN A 89 1.465 -8.513 -9.003 1.00 10.00 C ATOM 1180 O GLN A 89 1.160 -9.306 -8.111 1.00 10.00 O ATOM 1181 CB GLN A 89 3.155 -6.783 -8.313 1.00 10.00 C ATOM 1182 CG GLN A 89 4.104 -6.796 -9.503 1.00 10.00 C ATOM 1183 CD GLN A 89 3.656 -5.878 -10.625 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.031 -4.845 -10.391 1.00 10.00 O ATOM 1185 NE2 GLN A 89 3.970 -6.255 -11.852 1.00 10.00 N ATOM 0 H GLN A 89 1.270 -6.530 -6.705 1.00 10.00 H new ATOM 0 HA GLN A 89 1.464 -6.451 -9.580 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.229 -5.819 -7.811 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.473 -7.541 -7.597 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.099 -6.498 -9.171 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.187 -7.814 -9.884 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.490 -7.120 -12.003 1.00 10.00 H new ATOM 0 HE22 GLN A 89 3.693 -5.681 -12.648 1.00 10.00 H new ATOM 1194 N GLN A 90 1.596 -8.869 -10.272 1.00 10.00 N ATOM 1195 CA GLN A 90 1.397 -10.246 -10.704 1.00 10.00 C ATOM 1196 C GLN A 90 2.544 -11.127 -10.227 1.00 10.00 C ATOM 1197 O GLN A 90 3.668 -11.021 -10.717 1.00 10.00 O ATOM 1198 CB GLN A 90 1.271 -10.327 -12.230 1.00 10.00 C ATOM 1199 CG GLN A 90 0.202 -9.415 -12.808 1.00 10.00 C ATOM 1200 CD GLN A 90 0.693 -7.998 -13.012 1.00 10.00 C ATOM 1201 OE1 GLN A 90 1.863 -7.771 -13.318 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -0.190 -7.034 -12.818 1.00 10.00 N ATOM 0 H GLN A 90 1.840 -8.223 -11.023 1.00 10.00 H new ATOM 0 HA GLN A 90 0.469 -10.607 -10.261 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.232 -10.074 -12.678 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.049 -11.356 -12.512 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -0.138 -9.819 -13.762 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.660 -9.404 -12.141 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -1.151 -7.266 -12.565 1.00 10.00 H new ATOM 0 HE22 GLN A 90 0.089 -6.058 -12.921 1.00 10.00 H new ATOM 1211 N THR A 91 2.259 -11.979 -9.257 1.00 10.00 N ATOM 1212 CA THR A 91 3.258 -12.874 -8.707 1.00 10.00 C ATOM 1213 C THR A 91 3.332 -14.170 -9.510 1.00 10.00 C ATOM 1214 O THR A 91 2.779 -15.195 -9.110 1.00 10.00 O ATOM 1215 CB THR A 91 2.949 -13.195 -7.234 1.00 10.00 C ATOM 1216 OG1 THR A 91 1.539 -13.050 -6.986 1.00 10.00 O ATOM 1217 CG2 THR A 91 3.726 -12.275 -6.306 1.00 10.00 C ATOM 0 H THR A 91 1.336 -12.068 -8.833 1.00 10.00 H new ATOM 0 HA THR A 91 4.222 -12.369 -8.766 1.00 10.00 H new ATOM 0 HB THR A 91 3.251 -14.224 -7.038 1.00 10.00 H new ATOM 0 HG1 THR A 91 1.349 -13.257 -6.047 1.00 10.00 H new ATOM 0 HG21 THR A 91 3.492 -12.521 -5.270 1.00 10.00 H new ATOM 0 HG22 THR A 91 4.795 -12.404 -6.477 1.00 10.00 H new ATOM 0 HG23 THR A 91 3.450 -11.240 -6.505 1.00 10.00 H new ATOM 1225 N GLY A 92 3.990 -14.111 -10.658 1.00 10.00 N ATOM 1226 CA GLY A 92 4.131 -15.281 -11.494 1.00 10.00 C ATOM 1227 C GLY A 92 4.080 -14.934 -12.962 1.00 10.00 C ATOM 1228 O GLY A 92 3.957 -13.734 -13.288 1.00 10.00 O ATOM 0 H GLY A 92 4.431 -13.268 -11.026 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.077 -15.775 -11.270 1.00 10.00 H new ATOM 0 HA3 GLY A 92 3.338 -15.991 -11.261 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -19.356 -3.649 6.187 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.878 -2.380 6.781 1.00 10.00 C ATOM 1235 C ASN B 357 -17.419 -2.488 7.208 1.00 10.00 C ATOM 1236 O ASN B 357 -17.124 -2.978 8.296 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.736 -2.002 7.998 1.00 10.00 C ATOM 1238 CG ASN B 357 -19.143 -0.859 8.809 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -18.620 0.111 8.258 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -19.211 -0.979 10.124 1.00 10.00 N ATOM 0 HA ASN B 357 -18.964 -1.606 6.019 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.734 -1.721 7.660 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.851 -2.875 8.640 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -18.821 -0.251 10.723 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -19.653 -1.799 10.539 1.00 10.00 H new ATOM 1247 N ASN B 358 -16.493 -2.091 6.339 1.00 10.00 N ATOM 1248 CA ASN B 358 -15.088 -2.124 6.724 1.00 10.00 C ATOM 1249 C ASN B 358 -14.490 -0.735 6.600 1.00 10.00 C ATOM 1250 O ASN B 358 -14.455 -0.156 5.509 1.00 10.00 O ATOM 1251 CB ASN B 358 -14.309 -3.119 5.846 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.883 -3.368 6.320 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.110 -2.438 6.543 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -12.532 -4.634 6.481 1.00 10.00 N ATOM 0 H ASN B 358 -16.681 -1.754 5.395 1.00 10.00 H new ATOM 0 HA ASN B 358 -15.016 -2.454 7.760 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.846 -4.067 5.823 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -14.282 -2.743 4.823 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -11.592 -4.866 6.801 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -13.202 -5.378 6.286 1.00 10.00 H new ATOM 1261 N ARG B 359 -14.022 -0.203 7.718 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.390 1.106 7.729 1.00 10.00 C ATOM 1263 C ARG B 359 -12.052 1.067 8.451 1.00 10.00 C ATOM 1264 O ARG B 359 -11.956 0.574 9.577 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.309 2.173 8.338 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.753 1.899 9.766 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.443 3.119 10.361 1.00 10.00 C ATOM 1268 NE ARG B 359 -16.002 2.852 11.685 1.00 10.00 N ATOM 1269 CZ ARG B 359 -15.994 3.726 12.690 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -15.445 4.930 12.531 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -16.534 3.391 13.856 1.00 10.00 N ATOM 0 H ARG B 359 -14.068 -0.658 8.630 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.205 1.383 6.691 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.794 3.133 8.312 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.195 2.269 7.710 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.432 1.047 9.783 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.890 1.631 10.375 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -14.729 3.940 10.430 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.240 3.445 9.692 1.00 10.00 H new ATOM 0 HE ARG B 359 -16.425 1.939 11.850 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -15.028 5.186 11.636 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -15.442 5.595 13.304 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -16.952 2.469 13.978 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -16.531 4.056 14.629 1.00 10.00 H new ATOM 1285 N ASP B 360 -11.026 1.583 7.813 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.712 1.642 8.424 1.00 10.00 C ATOM 1287 C ASP B 360 -9.282 3.100 8.483 1.00 10.00 C ATOM 1288 O ASP B 360 -9.421 3.822 7.498 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.692 0.793 7.655 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.468 0.474 8.496 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.556 1.323 8.583 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.419 -0.629 9.084 1.00 10.00 O ATOM 0 H ASP B 360 -11.073 1.969 6.870 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.759 1.227 9.431 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.163 -0.136 7.333 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.385 1.324 6.754 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.778 3.586 9.620 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.371 4.969 9.736 1.00 10.00 C ATOM 1299 C PRO B 361 -6.859 5.132 9.807 1.00 10.00 C ATOM 1300 O PRO B 361 -6.181 4.528 10.638 1.00 10.00 O ATOM 1301 CB PRO B 361 -9.000 5.331 11.084 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.976 4.051 11.883 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.701 2.913 10.914 1.00 10.00 C ATOM 0 HA PRO B 361 -8.673 5.583 8.887 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.436 6.119 11.584 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -10.018 5.699 10.958 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.205 4.094 12.653 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.927 3.899 12.393 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.723 2.463 11.081 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.438 2.115 11.003 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.343 5.965 8.918 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.923 6.220 8.839 1.00 10.00 C ATOM 1313 C ILE B 362 -4.627 7.706 9.040 1.00 10.00 C ATOM 1314 O ILE B 362 -5.284 8.575 8.468 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.318 5.713 7.509 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.679 4.229 7.304 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.808 5.910 7.504 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.869 3.538 6.226 1.00 10.00 C ATOM 0 H ILE B 362 -6.899 6.480 8.235 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.447 5.661 9.645 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.736 6.290 6.684 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.538 3.698 8.246 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -5.737 4.155 7.052 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.397 5.548 6.561 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.579 6.970 7.617 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.366 5.353 8.330 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.184 2.498 6.145 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.028 4.041 5.272 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.811 3.577 6.484 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.640 7.973 9.872 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.233 9.329 10.197 1.00 10.00 C ATOM 1332 C VAL B 363 -1.823 9.549 9.687 1.00 10.00 C ATOM 1333 O VAL B 363 -0.953 8.690 9.842 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.291 9.608 11.718 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -3.066 11.086 12.010 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.621 9.150 12.297 1.00 10.00 C ATOM 0 H VAL B 363 -3.094 7.253 10.345 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.928 10.019 9.718 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.491 9.041 12.194 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -3.112 11.255 13.086 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -2.087 11.386 11.637 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.838 11.676 11.517 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.642 9.355 13.367 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.434 9.687 11.809 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.741 8.080 12.130 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.610 10.705 9.102 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.341 11.054 8.499 1.00 10.00 C ATOM 1348 C ILE B 364 0.346 12.112 9.338 1.00 10.00 C ATOM 1349 O ILE B 364 -0.302 12.985 9.921 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.498 11.546 7.037 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.704 11.105 6.193 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.661 13.060 6.971 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.810 9.605 6.031 1.00 10.00 C ATOM 0 H ILE B 364 -2.317 11.437 9.030 1.00 10.00 H new ATOM 0 HA ILE B 364 0.270 10.152 8.467 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.403 11.094 6.631 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.634 11.565 5.207 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.618 11.478 6.654 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.768 13.369 5.931 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -1.548 13.355 7.531 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.217 13.540 7.403 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.682 9.365 5.423 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.912 9.139 7.011 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.088 9.228 5.542 1.00 10.00 H new HETATM 1365 N SEP B 365 1.655 12.006 9.420 1.00 10.00 N HETATM 1366 CA SEP B 365 2.432 12.900 10.239 1.00 10.00 C HETATM 1367 CB SEP B 365 3.459 12.049 10.991 1.00 10.00 C HETATM 1368 OG SEP B 365 3.954 11.019 10.126 1.00 10.00 O HETATM 1369 C SEP B 365 3.138 13.900 9.346 1.00 10.00 C HETATM 1370 O SEP B 365 3.843 13.542 8.404 1.00 10.00 O HETATM 1371 P SEP B 365 4.851 9.807 10.673 1.00 10.00 P HETATM 1372 O1P SEP B 365 4.645 8.534 9.949 1.00 10.00 O HETATM 1373 O2P SEP B 365 4.846 9.664 12.138 1.00 10.00 O HETATM 1374 O3P SEP B 365 6.356 10.212 10.303 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.282 12.675 11.336 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.002 11.606 11.876 1.00 10.00 H new HETATM 0 HA SEP B 365 1.802 13.445 10.942 1.00 10.00 H new HETATM 0 H SEP B 365 1.852 11.005 9.428 1.00 10.00 H new ATOM 1379 N ASP B 366 2.911 15.167 9.653 1.00 10.00 N ATOM 1380 CA ASP B 366 3.465 16.256 8.881 1.00 10.00 C ATOM 1381 C ASP B 366 4.300 17.163 9.761 1.00 10.00 C ATOM 1382 O ASP B 366 3.864 17.565 10.841 1.00 10.00 O ATOM 1383 CB ASP B 366 2.335 17.056 8.230 1.00 10.00 C ATOM 1384 CG ASP B 366 2.810 17.893 7.062 1.00 10.00 C ATOM 1385 OD1 ASP B 366 2.939 19.122 7.225 1.00 10.00 O ATOM 1386 OD2 ASP B 366 3.032 17.330 5.971 1.00 10.00 O ATOM 0 H ASP B 366 2.338 15.464 10.443 1.00 10.00 H new ATOM 0 HA ASP B 366 4.108 15.841 8.104 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.560 16.370 7.889 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.879 17.707 8.976 1.00 10.00 H new HETATM 1391 N SEP B 367 5.495 17.455 9.297 1.00 10.00 N HETATM 1392 CA SEP B 367 6.421 18.322 9.999 1.00 10.00 C HETATM 1393 CB SEP B 367 7.704 18.422 9.178 1.00 10.00 C HETATM 1394 OG SEP B 367 8.153 17.125 8.803 1.00 10.00 O HETATM 1395 C SEP B 367 5.814 19.709 10.238 1.00 10.00 C HETATM 1396 O SEP B 367 5.088 20.226 9.389 1.00 10.00 O HETATM 1397 P SEP B 367 7.980 16.606 7.297 1.00 10.00 P HETATM 1398 O1P SEP B 367 8.455 17.546 6.271 1.00 10.00 O HETATM 1399 O2P SEP B 367 8.431 15.219 7.093 1.00 10.00 O HETATM 1400 O3P SEP B 367 6.405 16.529 7.055 1.00 10.00 O HETATM 0 HB3 SEP B 367 7.528 19.025 8.287 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.476 18.928 9.758 1.00 10.00 H new HETATM 0 HA SEP B 367 6.641 17.900 10.980 1.00 10.00 H new HETATM 0 H SEP B 367 5.764 17.035 8.407 1.00 10.00 H new ATOM 1405 N PRO B 368 6.092 20.308 11.414 1.00 10.00 N ATOM 1406 CA PRO B 368 5.579 21.637 11.782 1.00 10.00 C ATOM 1407 C PRO B 368 5.828 22.686 10.704 1.00 10.00 C ATOM 1408 O PRO B 368 6.929 22.696 10.121 1.00 10.00 O ATOM 1409 CB PRO B 368 6.365 21.980 13.049 1.00 10.00 C ATOM 1410 CG PRO B 368 6.709 20.664 13.647 1.00 10.00 C ATOM 1411 CD PRO B 368 6.922 19.725 12.492 1.00 10.00 C ATOM 0 HA PRO B 368 4.498 21.628 11.918 1.00 10.00 H new ATOM 0 HB2 PRO B 368 7.261 22.555 12.816 1.00 10.00 H new ATOM 0 HB3 PRO B 368 5.769 22.583 13.734 1.00 10.00 H new ATOM 0 HG2 PRO B 368 7.607 20.737 14.261 1.00 10.00 H new ATOM 0 HG3 PRO B 368 5.908 20.309 14.295 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.972 19.673 12.206 1.00 10.00 H new ATOM 0 HD3 PRO B 368 6.607 18.710 12.736 1.00 10.00 H new TER 1419 PRO B 368