USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 839 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 51 THR OG1 : rot 150:sc= -0.363 USER MOD Set 1.2: A 97 MET CE :methyl -153:sc= -1.42 (180deg=-0.464) USER MOD Set 2.1: A 13 SER OG : rot 29:sc= 0.713 USER MOD Set 2.2: A 32 THR OG1 : rot 114:sc= 0.516 USER MOD Single : A 3 HIS : no HD1:sc= -2.86 K(o=-2.9,f=-4.8!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 31 SER OG : rot 170:sc= -0.0396 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HE2:sc= -2.1 K(o=-2.1,f=-3.1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -133:sc= -2.81 USER MOD Single : A 44 THR OG1 : rot -32:sc= -0.0252 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.731 K(o=-0.73,f=-1.7!) USER MOD Single : A 58 MET CE :methyl -160:sc= -2.6 (180deg=-2.97) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0371 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.38 K(o=-1.4,f=-4!) USER MOD Single : A 78 ASN : amide:sc= -0.872 K(o=-0.87,f=-5.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-3.8!) USER MOD Single : A 88 MET CE :methyl 135:sc= -0.618 (180deg=-1.62) USER MOD Single : A 90 SER OG : rot 180:sc= -1.49 USER MOD Single : A 92 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.2!) USER MOD Single : A 93 ASN : amide:sc= -0.336 K(o=-0.34,f=-2.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.642 X(o=-0.64,f=-0.32) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -143:sc= -2.99 (180deg=-4.78!) USER MOD Single : A 103 THR OG1 : rot -56:sc= -1.21! USER MOD Single : A 105 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.31) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -87:sc= 1.13 USER MOD Single : A 111 TYR OH : rot 109:sc= -2.98! USER MOD Single : A 112 LYS NZ :NH3+ -154:sc= -0.197 (180deg=-1.62) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -3.003 -13.536 -6.725 1.00 0.00 N ATOM 29 CA HIS A 3 -2.513 -12.335 -7.395 1.00 0.00 C ATOM 30 C HIS A 3 -3.660 -11.388 -7.737 1.00 0.00 C ATOM 31 O HIS A 3 -3.576 -10.621 -8.697 1.00 0.00 O ATOM 32 CB HIS A 3 -1.752 -12.713 -8.666 1.00 0.00 C ATOM 33 CG HIS A 3 -0.452 -13.405 -8.400 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.116 -14.619 -8.962 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.599 -13.049 -7.624 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.084 -14.979 -8.543 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.540 -14.043 -7.731 1.00 0.00 N ATOM 0 HA HIS A 3 -1.838 -11.820 -6.712 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.381 -13.360 -9.277 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.562 -11.811 -9.248 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.682 -12.150 -7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.604 -15.885 -8.818 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.445 -14.056 -7.260 1.00 0.00 H new ATOM 46 N SER A 4 -4.729 -11.440 -6.947 1.00 0.00 N ATOM 47 CA SER A 4 -5.883 -10.579 -7.171 1.00 0.00 C ATOM 48 C SER A 4 -6.748 -10.484 -5.920 1.00 0.00 C ATOM 49 O SER A 4 -6.777 -11.395 -5.092 1.00 0.00 O ATOM 50 CB SER A 4 -6.717 -11.088 -8.348 1.00 0.00 C ATOM 51 OG SER A 4 -6.939 -12.484 -8.252 1.00 0.00 O ATOM 0 H SER A 4 -4.819 -12.068 -6.148 1.00 0.00 H new ATOM 0 HA SER A 4 -5.512 -9.582 -7.409 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.673 -10.566 -8.372 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.206 -10.862 -9.284 1.00 0.00 H new ATOM 0 HG SER A 4 -7.476 -12.783 -9.015 1.00 0.00 H new ATOM 57 N GLY A 5 -7.441 -9.362 -5.795 1.00 0.00 N ATOM 58 CA GLY A 5 -8.301 -9.120 -4.655 1.00 0.00 C ATOM 59 C GLY A 5 -8.854 -7.714 -4.688 1.00 0.00 C ATOM 60 O GLY A 5 -8.137 -6.773 -5.019 1.00 0.00 O ATOM 0 H GLY A 5 -7.421 -8.603 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.121 -9.838 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.741 -9.274 -3.732 1.00 0.00 H new ATOM 64 N ALA A 6 -10.132 -7.565 -4.375 1.00 0.00 N ATOM 65 CA ALA A 6 -10.766 -6.255 -4.408 1.00 0.00 C ATOM 66 C ALA A 6 -10.475 -5.437 -3.153 1.00 0.00 C ATOM 67 O ALA A 6 -10.347 -5.980 -2.056 1.00 0.00 O ATOM 68 CB ALA A 6 -12.257 -6.412 -4.635 1.00 0.00 C ATOM 0 H ALA A 6 -10.748 -8.329 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.339 -5.696 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.727 -5.429 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.429 -6.920 -5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.688 -7.001 -3.825 1.00 0.00 H new ATOM 74 N ALA A 7 -10.355 -4.122 -3.337 1.00 0.00 N ATOM 75 CA ALA A 7 -10.058 -3.208 -2.237 1.00 0.00 C ATOM 76 C ALA A 7 -10.627 -1.812 -2.503 1.00 0.00 C ATOM 77 O ALA A 7 -11.109 -1.529 -3.599 1.00 0.00 O ATOM 78 CB ALA A 7 -8.557 -3.135 -2.022 1.00 0.00 C ATOM 0 H ALA A 7 -10.460 -3.665 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.533 -3.592 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.340 -2.452 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.175 -4.127 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.076 -2.773 -2.931 1.00 0.00 H new ATOM 84 N ILE A 8 -10.575 -0.946 -1.489 1.00 0.00 N ATOM 85 CA ILE A 8 -11.093 0.418 -1.615 1.00 0.00 C ATOM 86 C ILE A 8 -9.967 1.435 -1.780 1.00 0.00 C ATOM 87 O ILE A 8 -9.098 1.553 -0.919 1.00 0.00 O ATOM 88 CB ILE A 8 -11.932 0.835 -0.380 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.101 -0.132 -0.108 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.459 2.254 -0.556 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.296 -1.214 -1.147 1.00 0.00 C ATOM 0 H ILE A 8 -10.181 -1.164 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.724 0.413 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.270 0.794 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.942 -0.605 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.021 0.448 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.047 2.535 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.621 2.942 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.087 2.301 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.142 -1.841 -0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.491 -0.756 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.396 -1.825 -1.209 1.00 0.00 H new ATOM 103 N PHE A 9 -10.001 2.185 -2.877 1.00 0.00 N ATOM 104 CA PHE A 9 -8.991 3.207 -3.130 1.00 0.00 C ATOM 105 C PHE A 9 -9.626 4.589 -3.267 1.00 0.00 C ATOM 106 O PHE A 9 -10.259 4.896 -4.277 1.00 0.00 O ATOM 107 CB PHE A 9 -8.192 2.883 -4.391 1.00 0.00 C ATOM 108 CG PHE A 9 -6.967 3.739 -4.559 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.078 5.107 -4.759 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.705 3.175 -4.514 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.951 5.893 -4.912 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.574 3.955 -4.666 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.698 5.316 -4.865 1.00 0.00 C ATOM 0 H PHE A 9 -10.714 2.105 -3.602 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.316 3.216 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.893 1.835 -4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.836 3.008 -5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.056 5.563 -4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.602 2.111 -4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.051 6.957 -5.068 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.595 3.501 -4.629 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.816 5.928 -4.984 1.00 0.00 H new ATOM 123 N GLU A 10 -9.436 5.419 -2.245 1.00 0.00 N ATOM 124 CA GLU A 10 -9.965 6.783 -2.235 1.00 0.00 C ATOM 125 C GLU A 10 -11.489 6.801 -2.154 1.00 0.00 C ATOM 126 O GLU A 10 -12.154 7.501 -2.919 1.00 0.00 O ATOM 127 CB GLU A 10 -9.498 7.551 -3.475 1.00 0.00 C ATOM 128 CG GLU A 10 -7.998 7.793 -3.511 1.00 0.00 C ATOM 129 CD GLU A 10 -7.585 9.010 -2.706 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.397 9.952 -2.596 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.449 9.021 -2.188 1.00 0.00 O ATOM 0 H GLU A 10 -8.915 5.169 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.577 7.273 -1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.790 6.996 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.014 8.511 -3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.482 6.914 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.679 7.921 -4.545 1.00 0.00 H new ATOM 138 N LYS A 11 -12.037 6.039 -1.212 1.00 0.00 N ATOM 139 CA LYS A 11 -13.485 5.975 -1.013 1.00 0.00 C ATOM 140 C LYS A 11 -14.189 5.204 -2.131 1.00 0.00 C ATOM 141 O LYS A 11 -15.401 4.994 -2.071 1.00 0.00 O ATOM 142 CB LYS A 11 -14.073 7.386 -0.909 1.00 0.00 C ATOM 143 CG LYS A 11 -13.271 8.314 -0.012 1.00 0.00 C ATOM 144 CD LYS A 11 -13.578 9.774 -0.305 1.00 0.00 C ATOM 145 CE LYS A 11 -13.045 10.685 0.788 1.00 0.00 C ATOM 146 NZ LYS A 11 -11.683 11.197 0.471 1.00 0.00 N ATOM 0 H LYS A 11 -11.500 5.455 -0.571 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.655 5.437 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.132 7.820 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.093 7.319 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.495 8.096 1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.206 8.129 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.137 10.055 -1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.656 9.909 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.726 11.525 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.017 10.141 1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.356 11.814 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.027 10.397 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.713 11.738 -0.417 1.00 0.00 H new ATOM 160 N VAL A 12 -13.440 4.774 -3.144 1.00 0.00 N ATOM 161 CA VAL A 12 -14.021 4.026 -4.244 1.00 0.00 C ATOM 162 C VAL A 12 -13.745 2.547 -4.082 1.00 0.00 C ATOM 163 O VAL A 12 -12.731 2.149 -3.509 1.00 0.00 O ATOM 164 CB VAL A 12 -13.489 4.505 -5.610 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.754 3.476 -6.706 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.128 5.828 -5.963 1.00 0.00 C ATOM 0 H VAL A 12 -12.435 4.932 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.096 4.202 -4.220 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.409 4.630 -5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.366 3.847 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.258 2.539 -6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.827 3.307 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.753 6.167 -6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.210 5.707 -6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.883 6.566 -5.199 1.00 0.00 H new ATOM 176 N SER A 13 -14.652 1.738 -4.592 1.00 0.00 N ATOM 177 CA SER A 13 -14.503 0.297 -4.502 1.00 0.00 C ATOM 178 C SER A 13 -14.140 -0.296 -5.855 1.00 0.00 C ATOM 179 O SER A 13 -14.928 -0.250 -6.799 1.00 0.00 O ATOM 180 CB SER A 13 -15.781 -0.348 -3.975 1.00 0.00 C ATOM 181 OG SER A 13 -16.845 -0.207 -4.900 1.00 0.00 O ATOM 0 H SER A 13 -15.497 2.051 -5.071 1.00 0.00 H new ATOM 0 HA SER A 13 -13.693 0.089 -3.803 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.604 -1.405 -3.779 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.058 0.110 -3.025 1.00 0.00 H new ATOM 0 HG SER A 13 -16.484 -0.164 -5.810 1.00 0.00 H new ATOM 187 N GLY A 14 -12.942 -0.856 -5.936 1.00 0.00 N ATOM 188 CA GLY A 14 -12.487 -1.457 -7.171 1.00 0.00 C ATOM 189 C GLY A 14 -11.860 -2.814 -6.944 1.00 0.00 C ATOM 190 O GLY A 14 -12.151 -3.480 -5.950 1.00 0.00 O ATOM 0 H GLY A 14 -12.276 -0.905 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.328 -1.557 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.762 -0.798 -7.649 1.00 0.00 H new ATOM 194 N ILE A 15 -10.998 -3.225 -7.863 1.00 0.00 N ATOM 195 CA ILE A 15 -10.329 -4.508 -7.756 1.00 0.00 C ATOM 196 C ILE A 15 -8.821 -4.348 -7.771 1.00 0.00 C ATOM 197 O ILE A 15 -8.266 -3.683 -8.643 1.00 0.00 O ATOM 198 CB ILE A 15 -10.714 -5.458 -8.908 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.226 -5.433 -9.153 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.232 -6.873 -8.607 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.055 -5.724 -7.921 1.00 0.00 C ATOM 0 H ILE A 15 -10.747 -2.686 -8.691 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.653 -4.935 -6.807 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.225 -5.115 -9.819 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.504 -4.454 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.471 -6.164 -9.924 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.510 -7.534 -9.428 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.148 -6.872 -8.493 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.693 -7.226 -7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.114 -5.687 -8.178 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.808 -6.716 -7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.842 -4.979 -7.155 1.00 0.00 H new ATOM 213 N ILE A 16 -8.158 -5.001 -6.829 1.00 0.00 N ATOM 214 CA ILE A 16 -6.711 -4.967 -6.767 1.00 0.00 C ATOM 215 C ILE A 16 -6.188 -6.258 -7.361 1.00 0.00 C ATOM 216 O ILE A 16 -6.414 -7.337 -6.817 1.00 0.00 O ATOM 217 CB ILE A 16 -6.177 -4.807 -5.318 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.679 -3.381 -5.086 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.058 -5.803 -5.028 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.153 -3.149 -3.686 1.00 0.00 C ATOM 0 H ILE A 16 -8.601 -5.559 -6.099 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.363 -4.099 -7.327 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.002 -5.012 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.890 -3.158 -5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.494 -2.683 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.705 -5.666 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.435 -6.819 -5.149 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.234 -5.637 -5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.816 -2.117 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.946 -3.340 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.318 -3.823 -3.495 1.00 0.00 H new ATOM 232 N ALA A 17 -5.511 -6.156 -8.484 1.00 0.00 N ATOM 233 CA ALA A 17 -4.987 -7.337 -9.136 1.00 0.00 C ATOM 234 C ALA A 17 -3.482 -7.239 -9.303 1.00 0.00 C ATOM 235 O ALA A 17 -2.965 -6.347 -9.977 1.00 0.00 O ATOM 236 CB ALA A 17 -5.703 -7.569 -10.451 1.00 0.00 C ATOM 0 H ALA A 17 -5.312 -5.277 -8.961 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.175 -8.206 -8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.300 -8.460 -10.932 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.768 -7.707 -10.266 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.556 -6.707 -11.102 1.00 0.00 H new ATOM 242 N ILE A 18 -2.791 -8.155 -8.643 1.00 0.00 N ATOM 243 CA ILE A 18 -1.337 -8.196 -8.652 1.00 0.00 C ATOM 244 C ILE A 18 -0.786 -8.898 -9.884 1.00 0.00 C ATOM 245 O ILE A 18 -1.340 -9.893 -10.352 1.00 0.00 O ATOM 246 CB ILE A 18 -0.811 -8.910 -7.391 1.00 0.00 C ATOM 247 CG1 ILE A 18 -1.488 -8.333 -6.145 1.00 0.00 C ATOM 248 CG2 ILE A 18 0.704 -8.793 -7.293 1.00 0.00 C ATOM 249 CD1 ILE A 18 -0.963 -8.896 -4.845 1.00 0.00 C ATOM 0 H ILE A 18 -3.223 -8.892 -8.085 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.995 -7.161 -8.669 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.056 -9.970 -7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.356 -7.251 -6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.560 -8.523 -6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.051 -9.304 -6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.162 -9.249 -8.171 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.985 -7.741 -7.243 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.492 -8.438 -4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.120 -9.975 -4.826 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.103 -8.683 -4.760 1.00 0.00 H new ATOM 261 N ASN A 19 0.323 -8.375 -10.393 1.00 0.00 N ATOM 262 CA ASN A 19 0.979 -8.945 -11.559 1.00 0.00 C ATOM 263 C ASN A 19 2.377 -9.427 -11.188 1.00 0.00 C ATOM 264 O ASN A 19 3.336 -8.660 -11.219 1.00 0.00 O ATOM 265 CB ASN A 19 1.059 -7.913 -12.685 1.00 0.00 C ATOM 266 CG ASN A 19 -0.097 -8.028 -13.659 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.146 -7.413 -13.470 1.00 0.00 O ATOM 268 ND2 ASN A 19 0.090 -8.820 -14.708 1.00 0.00 N ATOM 0 H ASN A 19 0.788 -7.551 -10.012 1.00 0.00 H new ATOM 0 HA ASN A 19 0.392 -9.795 -11.909 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.070 -6.911 -12.256 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.998 -8.039 -13.224 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.653 -8.938 -15.397 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.976 -9.311 -14.825 1.00 0.00 H new ATOM 275 N GLU A 20 2.480 -10.699 -10.827 1.00 0.00 N ATOM 276 CA GLU A 20 3.758 -11.287 -10.442 1.00 0.00 C ATOM 277 C GLU A 20 4.566 -11.713 -11.667 1.00 0.00 C ATOM 278 O GLU A 20 5.677 -12.227 -11.539 1.00 0.00 O ATOM 279 CB GLU A 20 3.529 -12.490 -9.525 1.00 0.00 C ATOM 280 CG GLU A 20 4.456 -12.522 -8.320 1.00 0.00 C ATOM 281 CD GLU A 20 5.038 -13.900 -8.068 1.00 0.00 C ATOM 282 OE1 GLU A 20 4.266 -14.813 -7.707 1.00 0.00 O ATOM 283 OE2 GLU A 20 6.265 -14.065 -8.232 1.00 0.00 O ATOM 0 H GLU A 20 1.692 -11.346 -10.792 1.00 0.00 H new ATOM 0 HA GLU A 20 4.328 -10.528 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.496 -12.480 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.663 -13.406 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.268 -11.811 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.908 -12.196 -7.436 1.00 0.00 H new ATOM 290 N ASP A 21 4.004 -11.499 -12.855 1.00 0.00 N ATOM 291 CA ASP A 21 4.678 -11.864 -14.095 1.00 0.00 C ATOM 292 C ASP A 21 5.661 -10.781 -14.536 1.00 0.00 C ATOM 293 O ASP A 21 6.306 -10.907 -15.577 1.00 0.00 O ATOM 294 CB ASP A 21 3.649 -12.103 -15.199 1.00 0.00 C ATOM 295 CG ASP A 21 4.190 -12.971 -16.318 1.00 0.00 C ATOM 296 OD1 ASP A 21 4.795 -14.021 -16.015 1.00 0.00 O ATOM 297 OD2 ASP A 21 4.010 -12.601 -17.497 1.00 0.00 O ATOM 0 H ASP A 21 3.085 -11.075 -12.983 1.00 0.00 H new ATOM 0 HA ASP A 21 5.240 -12.780 -13.912 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.765 -12.576 -14.771 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.331 -11.144 -15.608 1.00 0.00 H new ATOM 302 N VAL A 22 5.775 -9.719 -13.743 1.00 0.00 N ATOM 303 CA VAL A 22 6.685 -8.624 -14.068 1.00 0.00 C ATOM 304 C VAL A 22 7.973 -8.725 -13.257 1.00 0.00 C ATOM 305 O VAL A 22 8.289 -9.777 -12.700 1.00 0.00 O ATOM 306 CB VAL A 22 6.048 -7.230 -13.846 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.937 -6.472 -15.160 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.699 -7.357 -13.192 1.00 0.00 C ATOM 0 H VAL A 22 5.252 -9.593 -12.876 1.00 0.00 H new ATOM 0 HA VAL A 22 6.910 -8.724 -15.130 1.00 0.00 H new ATOM 0 HB VAL A 22 6.698 -6.664 -13.179 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.487 -5.496 -14.980 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.930 -6.340 -15.589 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.314 -7.036 -15.854 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.271 -6.365 -13.046 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.040 -7.947 -13.829 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.808 -7.851 -12.226 1.00 0.00 H new ATOM 318 N SER A 23 8.709 -7.623 -13.192 1.00 0.00 N ATOM 319 CA SER A 23 9.960 -7.572 -12.450 1.00 0.00 C ATOM 320 C SER A 23 10.554 -6.166 -12.515 1.00 0.00 C ATOM 321 O SER A 23 11.156 -5.788 -13.520 1.00 0.00 O ATOM 322 CB SER A 23 10.953 -8.592 -13.010 1.00 0.00 C ATOM 323 OG SER A 23 12.288 -8.242 -12.683 1.00 0.00 O ATOM 0 H SER A 23 8.458 -6.746 -13.649 1.00 0.00 H new ATOM 0 HA SER A 23 9.758 -7.820 -11.408 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.726 -9.581 -12.612 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.845 -8.652 -14.093 1.00 0.00 H new ATOM 0 HG SER A 23 12.901 -8.911 -13.052 1.00 0.00 H new ATOM 329 N PRO A 24 10.389 -5.364 -11.447 1.00 0.00 N ATOM 330 CA PRO A 24 9.678 -5.774 -10.228 1.00 0.00 C ATOM 331 C PRO A 24 8.190 -6.009 -10.468 1.00 0.00 C ATOM 332 O PRO A 24 7.628 -5.540 -11.458 1.00 0.00 O ATOM 333 CB PRO A 24 9.873 -4.593 -9.266 1.00 0.00 C ATOM 334 CG PRO A 24 10.940 -3.743 -9.871 1.00 0.00 C ATOM 335 CD PRO A 24 10.894 -3.990 -11.350 1.00 0.00 C ATOM 0 HA PRO A 24 10.064 -6.720 -9.847 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.947 -4.031 -9.146 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.166 -4.941 -8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.770 -2.690 -9.648 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.918 -4.001 -9.465 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.236 -3.283 -11.856 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.879 -3.890 -11.805 1.00 0.00 H new ATOM 343 N ALA A 25 7.555 -6.731 -9.547 1.00 0.00 N ATOM 344 CA ALA A 25 6.127 -7.022 -9.647 1.00 0.00 C ATOM 345 C ALA A 25 5.321 -5.740 -9.779 1.00 0.00 C ATOM 346 O ALA A 25 5.886 -4.655 -9.923 1.00 0.00 O ATOM 347 CB ALA A 25 5.656 -7.797 -8.428 1.00 0.00 C ATOM 0 H ALA A 25 8.008 -7.125 -8.722 1.00 0.00 H new ATOM 0 HA ALA A 25 5.971 -7.628 -10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.590 -8.005 -8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.205 -8.736 -8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.835 -7.206 -7.530 1.00 0.00 H new ATOM 353 N GLU A 26 3.999 -5.860 -9.721 1.00 0.00 N ATOM 354 CA GLU A 26 3.147 -4.686 -9.829 1.00 0.00 C ATOM 355 C GLU A 26 1.728 -4.953 -9.342 1.00 0.00 C ATOM 356 O GLU A 26 1.159 -6.020 -9.573 1.00 0.00 O ATOM 357 CB GLU A 26 3.115 -4.186 -11.274 1.00 0.00 C ATOM 358 CG GLU A 26 4.241 -3.221 -11.609 1.00 0.00 C ATOM 359 CD GLU A 26 3.825 -2.169 -12.618 1.00 0.00 C ATOM 360 OE1 GLU A 26 3.039 -2.500 -13.532 1.00 0.00 O ATOM 361 OE2 GLU A 26 4.284 -1.014 -12.495 1.00 0.00 O ATOM 0 H GLU A 26 3.503 -6.743 -9.602 1.00 0.00 H new ATOM 0 HA GLU A 26 3.576 -3.919 -9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.169 -5.042 -11.947 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.160 -3.695 -11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.578 -2.730 -10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.090 -3.781 -12.002 1.00 0.00 H new ATOM 368 N LEU A 27 1.167 -3.948 -8.683 1.00 0.00 N ATOM 369 CA LEU A 27 -0.191 -4.005 -8.161 1.00 0.00 C ATOM 370 C LEU A 27 -1.079 -3.092 -9.003 1.00 0.00 C ATOM 371 O LEU A 27 -0.602 -2.096 -9.544 1.00 0.00 O ATOM 372 CB LEU A 27 -0.192 -3.560 -6.702 1.00 0.00 C ATOM 373 CG LEU A 27 -1.563 -3.263 -6.104 1.00 0.00 C ATOM 374 CD1 LEU A 27 -1.588 -3.681 -4.654 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.887 -1.785 -6.225 1.00 0.00 C ATOM 0 H LEU A 27 1.644 -3.066 -8.495 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.575 -5.024 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.285 -4.336 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.425 -2.666 -6.613 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.316 -3.828 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.569 -3.467 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.386 -4.750 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.827 -3.129 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.869 -1.591 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.135 -1.203 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.890 -1.498 -7.277 1.00 0.00 H new ATOM 387 N THR A 28 -2.355 -3.430 -9.142 1.00 0.00 N ATOM 388 CA THR A 28 -3.251 -2.612 -9.957 1.00 0.00 C ATOM 389 C THR A 28 -4.675 -2.587 -9.417 1.00 0.00 C ATOM 390 O THR A 28 -5.434 -3.540 -9.594 1.00 0.00 O ATOM 391 CB THR A 28 -3.259 -3.127 -11.396 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.010 -3.704 -11.730 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.554 -2.049 -12.416 1.00 0.00 C ATOM 0 H THR A 28 -2.788 -4.247 -8.712 1.00 0.00 H new ATOM 0 HA THR A 28 -2.872 -1.591 -9.923 1.00 0.00 H new ATOM 0 HB THR A 28 -4.058 -3.868 -11.432 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.036 -4.029 -12.654 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.544 -2.482 -13.416 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.535 -1.618 -12.217 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.795 -1.269 -12.351 1.00 0.00 H new ATOM 401 N TRP A 29 -5.043 -1.476 -8.784 1.00 0.00 N ATOM 402 CA TRP A 29 -6.379 -1.311 -8.255 1.00 0.00 C ATOM 403 C TRP A 29 -7.265 -0.636 -9.294 1.00 0.00 C ATOM 404 O TRP A 29 -7.090 0.543 -9.592 1.00 0.00 O ATOM 405 CB TRP A 29 -6.349 -0.456 -6.991 1.00 0.00 C ATOM 406 CG TRP A 29 -7.716 -0.147 -6.476 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.441 -0.912 -5.625 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.527 0.988 -6.796 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.661 -0.324 -5.378 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.735 0.847 -6.087 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.348 2.113 -7.607 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.760 1.787 -6.168 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.366 3.045 -7.686 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.558 2.877 -6.970 1.00 0.00 C ATOM 0 H TRP A 29 -4.427 -0.678 -8.628 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.779 -2.295 -8.012 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.782 -0.976 -6.218 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.824 0.476 -7.199 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.110 -1.848 -5.201 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.389 -0.697 -4.769 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.431 2.251 -8.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.681 1.660 -5.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.240 3.917 -8.310 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.334 3.624 -7.053 1.00 0.00 H new ATOM 425 N ARG A 30 -8.214 -1.384 -9.839 1.00 0.00 N ATOM 426 CA ARG A 30 -9.122 -0.843 -10.845 1.00 0.00 C ATOM 427 C ARG A 30 -10.529 -0.694 -10.279 1.00 0.00 C ATOM 428 O ARG A 30 -11.063 -1.621 -9.681 1.00 0.00 O ATOM 429 CB ARG A 30 -9.149 -1.748 -12.078 1.00 0.00 C ATOM 430 CG ARG A 30 -10.035 -1.225 -13.197 1.00 0.00 C ATOM 431 CD ARG A 30 -10.228 -2.267 -14.287 1.00 0.00 C ATOM 432 NE ARG A 30 -10.709 -1.674 -15.533 1.00 0.00 N ATOM 433 CZ ARG A 30 -10.690 -2.299 -16.708 1.00 0.00 C ATOM 434 NH1 ARG A 30 -10.215 -3.535 -16.802 1.00 0.00 N ATOM 435 NH2 ARG A 30 -11.147 -1.687 -17.791 1.00 0.00 N ATOM 0 H ARG A 30 -8.376 -2.363 -9.604 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.759 0.143 -11.136 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.133 -1.865 -12.455 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.496 -2.739 -11.784 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.005 -0.938 -12.791 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.590 -0.327 -13.625 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.283 -2.779 -14.470 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.938 -3.021 -13.946 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.081 -0.725 -15.500 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.862 -4.010 -15.971 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.203 -4.009 -17.705 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.513 -0.737 -17.724 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.133 -2.166 -18.692 1.00 0.00 H new ATOM 449 N SER A 31 -11.132 0.474 -10.474 1.00 0.00 N ATOM 450 CA SER A 31 -12.481 0.721 -9.973 1.00 0.00 C ATOM 451 C SER A 31 -13.420 -0.412 -10.378 1.00 0.00 C ATOM 452 O SER A 31 -13.173 -1.112 -11.360 1.00 0.00 O ATOM 453 CB SER A 31 -13.011 2.052 -10.507 1.00 0.00 C ATOM 454 OG SER A 31 -14.405 2.173 -10.283 1.00 0.00 O ATOM 0 H SER A 31 -10.713 1.260 -10.971 1.00 0.00 H new ATOM 0 HA SER A 31 -12.438 0.768 -8.885 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.489 2.876 -10.021 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.803 2.128 -11.574 1.00 0.00 H new ATOM 0 HG SER A 31 -14.690 3.089 -10.484 1.00 0.00 H new ATOM 460 N THR A 32 -14.496 -0.587 -9.620 1.00 0.00 N ATOM 461 CA THR A 32 -15.464 -1.632 -9.909 1.00 0.00 C ATOM 462 C THR A 32 -16.297 -1.243 -11.117 1.00 0.00 C ATOM 463 O THR A 32 -16.687 -2.087 -11.924 1.00 0.00 O ATOM 464 CB THR A 32 -16.364 -1.873 -8.694 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.632 -2.470 -7.639 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.549 -2.766 -8.989 1.00 0.00 C ATOM 0 H THR A 32 -14.718 -0.019 -8.803 1.00 0.00 H new ATOM 0 HA THR A 32 -14.932 -2.557 -10.131 1.00 0.00 H new ATOM 0 HB THR A 32 -16.735 -0.887 -8.413 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.577 -1.846 -6.885 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.143 -2.894 -8.084 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.164 -2.310 -9.765 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.195 -3.739 -9.331 1.00 0.00 H new ATOM 474 N ASP A 33 -16.554 0.048 -11.231 1.00 0.00 N ATOM 475 CA ASP A 33 -17.332 0.581 -12.336 1.00 0.00 C ATOM 476 C ASP A 33 -16.440 0.887 -13.538 1.00 0.00 C ATOM 477 O ASP A 33 -16.928 1.056 -14.656 1.00 0.00 O ATOM 478 CB ASP A 33 -18.078 1.844 -11.903 1.00 0.00 C ATOM 479 CG ASP A 33 -19.459 1.941 -12.523 1.00 0.00 C ATOM 480 OD1 ASP A 33 -19.556 1.885 -13.767 1.00 0.00 O ATOM 481 OD2 ASP A 33 -20.442 2.073 -11.764 1.00 0.00 O ATOM 0 H ASP A 33 -16.232 0.752 -10.566 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.058 -0.177 -12.631 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.169 1.855 -10.817 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.495 2.721 -12.183 1.00 0.00 H new ATOM 486 N GLY A 34 -15.132 0.960 -13.302 1.00 0.00 N ATOM 487 CA GLY A 34 -14.200 1.248 -14.376 1.00 0.00 C ATOM 488 C GLY A 34 -13.995 2.736 -14.577 1.00 0.00 C ATOM 489 O GLY A 34 -13.798 3.196 -15.702 1.00 0.00 O ATOM 0 H GLY A 34 -14.703 0.825 -12.387 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.241 0.778 -14.158 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.568 0.806 -15.302 1.00 0.00 H new ATOM 493 N ASP A 35 -14.047 3.490 -13.484 1.00 0.00 N ATOM 494 CA ASP A 35 -13.872 4.936 -13.544 1.00 0.00 C ATOM 495 C ASP A 35 -12.399 5.324 -13.465 1.00 0.00 C ATOM 496 O ASP A 35 -12.004 6.390 -13.938 1.00 0.00 O ATOM 497 CB ASP A 35 -14.651 5.612 -12.414 1.00 0.00 C ATOM 498 CG ASP A 35 -15.278 6.923 -12.847 1.00 0.00 C ATOM 499 OD1 ASP A 35 -15.679 7.028 -14.025 1.00 0.00 O ATOM 500 OD2 ASP A 35 -15.368 7.843 -12.007 1.00 0.00 O ATOM 0 H ASP A 35 -14.209 3.123 -12.546 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.260 5.277 -14.504 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.432 4.938 -12.061 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.982 5.793 -11.573 1.00 0.00 H new ATOM 505 N LYS A 36 -11.592 4.459 -12.864 1.00 0.00 N ATOM 506 CA LYS A 36 -10.163 4.723 -12.725 1.00 0.00 C ATOM 507 C LYS A 36 -9.439 3.548 -12.088 1.00 0.00 C ATOM 508 O LYS A 36 -10.057 2.651 -11.515 1.00 0.00 O ATOM 509 CB LYS A 36 -9.935 5.990 -11.896 1.00 0.00 C ATOM 510 CG LYS A 36 -10.312 5.837 -10.429 1.00 0.00 C ATOM 511 CD LYS A 36 -11.506 6.705 -10.061 1.00 0.00 C ATOM 512 CE LYS A 36 -11.067 8.064 -9.541 1.00 0.00 C ATOM 513 NZ LYS A 36 -12.002 9.146 -9.954 1.00 0.00 N ATOM 0 H LYS A 36 -11.900 3.572 -12.466 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.754 4.869 -13.725 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.885 6.274 -11.964 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.515 6.806 -12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.543 4.793 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.460 6.106 -9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.144 6.837 -10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.104 6.200 -9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.005 8.034 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.067 8.288 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.667 10.056 -9.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.042 9.193 -10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.951 8.946 -9.580 1.00 0.00 H new ATOM 527 N VAL A 37 -8.121 3.559 -12.219 1.00 0.00 N ATOM 528 CA VAL A 37 -7.285 2.500 -11.691 1.00 0.00 C ATOM 529 C VAL A 37 -5.947 3.052 -11.203 1.00 0.00 C ATOM 530 O VAL A 37 -5.426 4.022 -11.753 1.00 0.00 O ATOM 531 CB VAL A 37 -7.048 1.431 -12.775 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.876 2.091 -14.138 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.852 0.541 -12.438 1.00 0.00 C ATOM 0 H VAL A 37 -7.606 4.301 -12.693 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.798 2.048 -10.842 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.926 0.786 -12.810 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.709 1.325 -14.895 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.775 2.655 -14.385 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.020 2.766 -14.110 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.717 -0.200 -13.226 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.954 1.153 -12.358 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.031 0.034 -11.490 1.00 0.00 H new ATOM 543 N HIS A 38 -5.397 2.424 -10.170 1.00 0.00 N ATOM 544 CA HIS A 38 -4.120 2.845 -9.609 1.00 0.00 C ATOM 545 C HIS A 38 -3.117 1.697 -9.634 1.00 0.00 C ATOM 546 O HIS A 38 -3.353 0.643 -9.045 1.00 0.00 O ATOM 547 CB HIS A 38 -4.307 3.346 -8.176 1.00 0.00 C ATOM 548 CG HIS A 38 -4.929 4.705 -8.093 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.285 4.904 -7.942 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.373 5.939 -8.141 1.00 0.00 C ATOM 551 CE1 HIS A 38 -6.536 6.201 -7.901 1.00 0.00 C ATOM 552 NE2 HIS A 38 -5.393 6.850 -8.020 1.00 0.00 N ATOM 0 H HIS A 38 -5.817 1.620 -9.704 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.731 3.660 -10.220 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.929 2.637 -7.630 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.338 3.368 -7.678 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -6.985 4.166 -7.873 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.323 6.164 -8.254 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.511 6.653 -7.789 1.00 0.00 H new ATOM 561 N THR A 39 -1.998 1.907 -10.319 1.00 0.00 N ATOM 562 CA THR A 39 -0.964 0.885 -10.419 1.00 0.00 C ATOM 563 C THR A 39 0.127 1.116 -9.379 1.00 0.00 C ATOM 564 O THR A 39 0.450 2.257 -9.046 1.00 0.00 O ATOM 565 CB THR A 39 -0.357 0.872 -11.823 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.211 1.527 -12.745 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.099 -0.523 -12.349 1.00 0.00 C ATOM 0 H THR A 39 -1.785 2.774 -10.812 1.00 0.00 H new ATOM 0 HA THR A 39 -1.426 -0.083 -10.227 1.00 0.00 H new ATOM 0 HB THR A 39 0.597 1.391 -11.731 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.805 1.510 -13.637 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.332 -0.461 -13.348 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.595 -1.039 -11.686 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.038 -1.075 -12.392 1.00 0.00 H new ATOM 575 N VAL A 40 0.681 0.027 -8.859 1.00 0.00 N ATOM 576 CA VAL A 40 1.725 0.109 -7.845 1.00 0.00 C ATOM 577 C VAL A 40 2.942 -0.727 -8.223 1.00 0.00 C ATOM 578 O VAL A 40 2.812 -1.860 -8.687 1.00 0.00 O ATOM 579 CB VAL A 40 1.185 -0.369 -6.472 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.042 -1.467 -5.857 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.062 0.779 -5.497 1.00 0.00 C ATOM 0 H VAL A 40 0.424 -0.924 -9.123 1.00 0.00 H new ATOM 0 HA VAL A 40 2.029 1.154 -7.778 1.00 0.00 H new ATOM 0 HB VAL A 40 0.196 -0.783 -6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.619 -1.764 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.066 -2.328 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.056 -1.096 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.681 0.409 -4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.041 1.233 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.375 1.525 -5.898 1.00 0.00 H new ATOM 591 N VAL A 41 4.121 -0.179 -7.973 1.00 0.00 N ATOM 592 CA VAL A 41 5.359 -0.891 -8.235 1.00 0.00 C ATOM 593 C VAL A 41 5.928 -1.384 -6.913 1.00 0.00 C ATOM 594 O VAL A 41 6.626 -0.647 -6.218 1.00 0.00 O ATOM 595 CB VAL A 41 6.401 -0.009 -8.947 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.609 -0.839 -9.362 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.782 0.683 -10.152 1.00 0.00 C ATOM 0 H VAL A 41 4.245 0.758 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 41 5.135 -1.726 -8.898 1.00 0.00 H new ATOM 0 HB VAL A 41 6.738 0.758 -8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.335 -0.199 -9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.066 -1.283 -8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.291 -1.629 -10.042 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.534 1.302 -10.642 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.415 -0.066 -10.853 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.953 1.310 -9.825 1.00 0.00 H new ATOM 607 N LEU A 42 5.606 -2.629 -6.561 1.00 0.00 N ATOM 608 CA LEU A 42 6.059 -3.227 -5.305 1.00 0.00 C ATOM 609 C LEU A 42 7.526 -2.898 -5.008 1.00 0.00 C ATOM 610 O LEU A 42 7.951 -2.922 -3.853 1.00 0.00 O ATOM 611 CB LEU A 42 5.856 -4.743 -5.344 1.00 0.00 C ATOM 612 CG LEU A 42 4.407 -5.235 -5.195 1.00 0.00 C ATOM 613 CD1 LEU A 42 4.023 -5.368 -3.736 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.425 -4.314 -5.890 1.00 0.00 C ATOM 0 H LEU A 42 5.029 -3.246 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 42 5.459 -2.799 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.250 -5.118 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.454 -5.190 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 42 4.359 -6.215 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.993 -5.718 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.685 -6.084 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.114 -4.399 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.413 -4.697 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.493 -3.316 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.662 -4.265 -6.953 1.00 0.00 H new ATOM 626 N SER A 43 8.287 -2.571 -6.049 1.00 0.00 N ATOM 627 CA SER A 43 9.689 -2.217 -5.888 1.00 0.00 C ATOM 628 C SER A 43 9.796 -0.801 -5.349 1.00 0.00 C ATOM 629 O SER A 43 10.487 -0.550 -4.361 1.00 0.00 O ATOM 630 CB SER A 43 10.430 -2.332 -7.220 1.00 0.00 C ATOM 631 OG SER A 43 11.341 -3.417 -7.203 1.00 0.00 O ATOM 0 H SER A 43 7.953 -2.545 -7.013 1.00 0.00 H new ATOM 0 HA SER A 43 10.149 -2.908 -5.182 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.712 -2.468 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.967 -1.405 -7.423 1.00 0.00 H new ATOM 0 HG SER A 43 12.206 -3.123 -7.558 1.00 0.00 H new ATOM 637 N THR A 44 9.083 0.121 -5.989 1.00 0.00 N ATOM 638 CA THR A 44 9.073 1.498 -5.560 1.00 0.00 C ATOM 639 C THR A 44 8.434 1.592 -4.183 1.00 0.00 C ATOM 640 O THR A 44 8.759 2.478 -3.392 1.00 0.00 O ATOM 641 CB THR A 44 8.302 2.349 -6.563 1.00 0.00 C ATOM 642 OG1 THR A 44 6.917 2.060 -6.508 1.00 0.00 O ATOM 643 CG2 THR A 44 8.760 2.155 -7.993 1.00 0.00 C ATOM 0 H THR A 44 8.506 -0.071 -6.808 1.00 0.00 H new ATOM 0 HA THR A 44 10.096 1.871 -5.504 1.00 0.00 H new ATOM 0 HB THR A 44 8.499 3.382 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.789 1.116 -6.279 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.170 2.790 -8.653 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.813 2.423 -8.077 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.628 1.112 -8.279 1.00 0.00 H new ATOM 651 N ILE A 45 7.531 0.652 -3.892 1.00 0.00 N ATOM 652 CA ILE A 45 6.865 0.616 -2.599 1.00 0.00 C ATOM 653 C ILE A 45 7.892 0.544 -1.468 1.00 0.00 C ATOM 654 O ILE A 45 8.503 -0.500 -1.240 1.00 0.00 O ATOM 655 CB ILE A 45 5.920 -0.598 -2.494 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.843 -0.534 -3.582 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.291 -0.668 -1.109 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.849 0.593 -3.400 1.00 0.00 C ATOM 0 H ILE A 45 7.249 -0.088 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 45 6.281 1.532 -2.507 1.00 0.00 H new ATOM 0 HB ILE A 45 6.503 -1.506 -2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.328 -0.424 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.303 -1.481 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.627 -1.531 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.075 -0.765 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.720 0.241 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.120 0.570 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.335 0.474 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.375 1.548 -3.412 1.00 0.00 H new ATOM 670 N ASP A 46 8.079 1.658 -0.767 1.00 0.00 N ATOM 671 CA ASP A 46 9.035 1.720 0.336 1.00 0.00 C ATOM 672 C ASP A 46 8.804 0.585 1.331 1.00 0.00 C ATOM 673 O ASP A 46 9.744 0.092 1.955 1.00 0.00 O ATOM 674 CB ASP A 46 8.932 3.067 1.052 1.00 0.00 C ATOM 675 CG ASP A 46 10.258 3.512 1.640 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.132 2.646 1.854 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.420 4.725 1.886 1.00 0.00 O ATOM 0 H ASP A 46 7.581 2.531 -0.942 1.00 0.00 H new ATOM 0 HA ASP A 46 10.036 1.611 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.577 3.822 0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.190 2.997 1.847 1.00 0.00 H new ATOM 682 N LYS A 47 7.548 0.174 1.471 1.00 0.00 N ATOM 683 CA LYS A 47 7.192 -0.904 2.384 1.00 0.00 C ATOM 684 C LYS A 47 5.727 -1.290 2.212 1.00 0.00 C ATOM 685 O LYS A 47 4.958 -0.576 1.570 1.00 0.00 O ATOM 686 CB LYS A 47 7.469 -0.496 3.835 1.00 0.00 C ATOM 687 CG LYS A 47 6.510 0.552 4.377 1.00 0.00 C ATOM 688 CD LYS A 47 6.800 0.871 5.835 1.00 0.00 C ATOM 689 CE LYS A 47 6.703 2.363 6.110 1.00 0.00 C ATOM 690 NZ LYS A 47 7.629 2.789 7.195 1.00 0.00 N ATOM 0 H LYS A 47 6.759 0.573 0.962 1.00 0.00 H new ATOM 0 HA LYS A 47 7.809 -1.771 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.417 -1.383 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.487 -0.113 3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.589 1.462 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.485 0.195 4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.096 0.336 6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.798 0.516 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.933 2.916 5.199 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.679 2.615 6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.532 3.813 7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.394 2.281 8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.608 2.572 6.921 1.00 0.00 H new ATOM 704 N LEU A 48 5.348 -2.425 2.784 1.00 0.00 N ATOM 705 CA LEU A 48 3.977 -2.908 2.686 1.00 0.00 C ATOM 706 C LEU A 48 3.256 -2.789 4.028 1.00 0.00 C ATOM 707 O LEU A 48 3.693 -3.358 5.028 1.00 0.00 O ATOM 708 CB LEU A 48 3.971 -4.364 2.229 1.00 0.00 C ATOM 709 CG LEU A 48 2.583 -4.971 2.033 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.034 -4.602 0.665 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.636 -6.482 2.207 1.00 0.00 C ATOM 0 H LEU A 48 5.971 -3.029 3.321 1.00 0.00 H new ATOM 0 HA LEU A 48 3.451 -2.293 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.519 -4.437 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.513 -4.962 2.962 1.00 0.00 H new ATOM 0 HG LEU A 48 1.913 -4.565 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.044 -5.041 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.963 -3.518 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.701 -4.982 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.639 -6.900 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.317 -6.909 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.989 -6.721 3.210 1.00 0.00 H new ATOM 723 N GLN A 49 2.146 -2.055 4.043 1.00 0.00 N ATOM 724 CA GLN A 49 1.365 -1.876 5.260 1.00 0.00 C ATOM 725 C GLN A 49 0.038 -2.611 5.148 1.00 0.00 C ATOM 726 O GLN A 49 -0.599 -2.589 4.102 1.00 0.00 O ATOM 727 CB GLN A 49 1.109 -0.392 5.512 1.00 0.00 C ATOM 728 CG GLN A 49 2.372 0.410 5.775 1.00 0.00 C ATOM 729 CD GLN A 49 3.033 0.042 7.089 1.00 0.00 C ATOM 730 OE1 GLN A 49 4.095 -0.580 7.110 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.405 0.426 8.195 1.00 0.00 N ATOM 0 H GLN A 49 1.769 -1.576 3.226 1.00 0.00 H new ATOM 0 HA GLN A 49 1.931 -2.287 6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.594 0.030 4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.439 -0.288 6.365 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.077 0.248 4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.129 1.473 5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.526 0.940 8.130 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.802 0.207 9.109 1.00 0.00 H new ATOM 740 N ALA A 50 -0.373 -3.270 6.221 1.00 0.00 N ATOM 741 CA ALA A 50 -1.623 -4.010 6.216 1.00 0.00 C ATOM 742 C ALA A 50 -2.158 -4.190 7.631 1.00 0.00 C ATOM 743 O ALA A 50 -1.393 -4.435 8.564 1.00 0.00 O ATOM 744 CB ALA A 50 -1.410 -5.352 5.546 1.00 0.00 C ATOM 0 H ALA A 50 0.139 -3.307 7.102 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.367 -3.444 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.347 -5.909 5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.074 -5.198 4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.655 -5.916 6.094 1.00 0.00 H new ATOM 750 N THR A 51 -3.475 -4.066 7.792 1.00 0.00 N ATOM 751 CA THR A 51 -4.095 -4.218 9.108 1.00 0.00 C ATOM 752 C THR A 51 -3.627 -5.507 9.786 1.00 0.00 C ATOM 753 O THR A 51 -3.481 -6.541 9.134 1.00 0.00 O ATOM 754 CB THR A 51 -5.620 -4.214 8.987 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.049 -5.157 8.023 1.00 0.00 O ATOM 756 CG2 THR A 51 -6.185 -2.866 8.595 1.00 0.00 C ATOM 0 H THR A 51 -4.128 -3.863 7.035 1.00 0.00 H new ATOM 0 HA THR A 51 -3.788 -3.372 9.723 1.00 0.00 H new ATOM 0 HB THR A 51 -5.989 -4.470 9.980 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.935 -5.495 8.268 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.271 -2.933 8.527 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.913 -2.125 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.778 -2.568 7.629 1.00 0.00 H new ATOM 847 N MET A 58 -9.947 -5.085 7.839 1.00 0.00 N ATOM 848 CA MET A 58 -9.365 -5.681 6.640 1.00 0.00 C ATOM 849 C MET A 58 -8.939 -4.600 5.652 1.00 0.00 C ATOM 850 O MET A 58 -9.739 -4.135 4.841 1.00 0.00 O ATOM 851 CB MET A 58 -10.368 -6.631 5.979 1.00 0.00 C ATOM 852 CG MET A 58 -11.802 -6.124 6.011 1.00 0.00 C ATOM 853 SD MET A 58 -12.664 -6.566 7.531 1.00 0.00 S ATOM 854 CE MET A 58 -12.935 -8.316 7.270 1.00 0.00 C ATOM 0 HA MET A 58 -8.482 -6.248 6.935 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.072 -6.794 4.943 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.323 -7.599 6.479 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.802 -5.040 5.901 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.346 -6.531 5.159 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.740 -8.660 7.919 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.208 -8.491 6.229 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.022 -8.864 7.502 1.00 0.00 H new ATOM 864 N MET A 59 -7.674 -4.196 5.734 1.00 0.00 N ATOM 865 CA MET A 59 -7.144 -3.161 4.856 1.00 0.00 C ATOM 866 C MET A 59 -5.657 -3.361 4.584 1.00 0.00 C ATOM 867 O MET A 59 -4.885 -3.675 5.489 1.00 0.00 O ATOM 868 CB MET A 59 -7.356 -1.787 5.488 1.00 0.00 C ATOM 869 CG MET A 59 -8.820 -1.409 5.649 1.00 0.00 C ATOM 870 SD MET A 59 -9.499 -1.913 7.241 1.00 0.00 S ATOM 871 CE MET A 59 -9.158 -0.459 8.229 1.00 0.00 C ATOM 0 H MET A 59 -6.998 -4.571 6.400 1.00 0.00 H new ATOM 0 HA MET A 59 -7.678 -3.227 3.908 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.875 -1.768 6.466 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.861 -1.034 4.875 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.926 -0.330 5.539 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.400 -1.870 4.849 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.520 -0.616 9.245 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.083 -0.278 8.251 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.662 0.403 7.793 1.00 0.00 H new ATOM 881 N LEU A 60 -5.260 -3.149 3.333 1.00 0.00 N ATOM 882 CA LEU A 60 -3.857 -3.277 2.942 1.00 0.00 C ATOM 883 C LEU A 60 -3.373 -1.991 2.280 1.00 0.00 C ATOM 884 O LEU A 60 -4.155 -1.274 1.656 1.00 0.00 O ATOM 885 CB LEU A 60 -3.656 -4.453 1.984 1.00 0.00 C ATOM 886 CG LEU A 60 -4.183 -5.805 2.469 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.778 -6.897 1.499 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.657 -6.127 3.856 1.00 0.00 C ATOM 0 H LEU A 60 -5.888 -2.888 2.572 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.275 -3.462 3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.141 -4.213 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.590 -4.552 1.779 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.270 -5.749 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.157 -7.856 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.194 -6.682 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.691 -6.939 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.046 -7.093 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.568 -6.164 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.979 -5.355 4.555 1.00 0.00 H new ATOM 900 N ARG A 61 -2.084 -1.696 2.428 1.00 0.00 N ATOM 901 CA ARG A 61 -1.508 -0.486 1.848 1.00 0.00 C ATOM 902 C ARG A 61 -0.032 -0.672 1.512 1.00 0.00 C ATOM 903 O ARG A 61 0.651 -1.504 2.105 1.00 0.00 O ATOM 904 CB ARG A 61 -1.651 0.687 2.819 1.00 0.00 C ATOM 905 CG ARG A 61 -2.925 0.650 3.650 1.00 0.00 C ATOM 906 CD ARG A 61 -2.905 1.703 4.747 1.00 0.00 C ATOM 907 NE ARG A 61 -2.720 3.049 4.211 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.016 4.161 4.881 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.507 4.091 6.113 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.819 5.346 4.320 1.00 0.00 N ATOM 0 H ARG A 61 -1.421 -2.276 2.942 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.052 -0.278 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.792 0.697 3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.625 1.619 2.254 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.787 0.813 3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.042 -0.338 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.839 1.661 5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.102 1.479 5.450 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.342 3.143 3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.659 3.182 6.551 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.732 4.946 6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.441 5.406 3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.046 6.197 4.834 1.00 0.00 H new ATOM 924 N LEU A 62 0.457 0.128 0.567 1.00 0.00 N ATOM 925 CA LEU A 62 1.858 0.077 0.164 1.00 0.00 C ATOM 926 C LEU A 62 2.471 1.473 0.220 1.00 0.00 C ATOM 927 O LEU A 62 2.026 2.383 -0.478 1.00 0.00 O ATOM 928 CB LEU A 62 1.998 -0.489 -1.250 1.00 0.00 C ATOM 929 CG LEU A 62 1.424 -1.890 -1.452 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.219 -1.831 -2.369 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.478 -2.841 -2.011 1.00 0.00 C ATOM 0 H LEU A 62 -0.099 0.821 0.066 1.00 0.00 H new ATOM 0 HA LEU A 62 2.386 -0.579 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.507 0.191 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.055 -0.506 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 62 1.110 -2.275 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.183 -2.835 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.545 -1.192 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.517 -1.424 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.041 -3.831 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.832 -2.468 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.315 -2.905 -1.316 1.00 0.00 H new ATOM 943 N ILE A 63 3.489 1.642 1.057 1.00 0.00 N ATOM 944 CA ILE A 63 4.149 2.936 1.198 1.00 0.00 C ATOM 945 C ILE A 63 5.089 3.201 0.029 1.00 0.00 C ATOM 946 O ILE A 63 5.590 2.271 -0.598 1.00 0.00 O ATOM 947 CB ILE A 63 4.950 3.031 2.512 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.195 2.350 3.657 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.234 4.486 2.853 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.781 2.856 3.836 1.00 0.00 C ATOM 0 H ILE A 63 3.874 0.903 1.646 1.00 0.00 H new ATOM 0 HA ILE A 63 3.359 3.687 1.212 1.00 0.00 H new ATOM 0 HB ILE A 63 5.899 2.514 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.167 1.276 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.746 2.501 4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.800 4.538 3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.813 4.942 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.293 5.023 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.308 2.329 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.801 3.925 4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.213 2.680 2.922 1.00 0.00 H new ATOM 962 N GLY A 64 5.325 4.478 -0.258 1.00 0.00 N ATOM 963 CA GLY A 64 6.206 4.841 -1.353 1.00 0.00 C ATOM 964 C GLY A 64 7.415 5.629 -0.888 1.00 0.00 C ATOM 965 O GLY A 64 7.300 6.509 -0.034 1.00 0.00 O ATOM 0 H GLY A 64 4.922 5.267 0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.539 3.937 -1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.650 5.431 -2.082 1.00 0.00 H new ATOM 991 N VAL A 66 9.903 8.273 -0.247 1.00 0.00 N ATOM 992 CA VAL A 66 9.807 9.725 -0.322 1.00 0.00 C ATOM 993 C VAL A 66 11.185 10.369 -0.443 1.00 0.00 C ATOM 994 O VAL A 66 12.199 9.761 -0.101 1.00 0.00 O ATOM 995 CB VAL A 66 9.087 10.301 0.913 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.898 10.060 2.176 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.806 11.784 0.727 1.00 0.00 C ATOM 0 HA VAL A 66 9.227 9.957 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 66 8.134 9.784 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.369 10.476 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.037 8.989 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.871 10.543 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.297 12.171 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.746 12.318 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.173 11.927 -0.149 1.00 0.00 H new ATOM 1007 N ASP A 67 11.210 11.606 -0.928 1.00 0.00 N ATOM 1008 CA ASP A 67 12.459 12.339 -1.091 1.00 0.00 C ATOM 1009 C ASP A 67 12.663 13.315 0.064 1.00 0.00 C ATOM 1010 O ASP A 67 12.986 14.485 -0.145 1.00 0.00 O ATOM 1011 CB ASP A 67 12.464 13.092 -2.423 1.00 0.00 C ATOM 1012 CG ASP A 67 13.004 12.249 -3.561 1.00 0.00 C ATOM 1013 OD1 ASP A 67 14.165 11.798 -3.467 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.266 12.039 -4.547 1.00 0.00 O ATOM 0 H ASP A 67 10.378 12.122 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 67 13.280 11.622 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.449 13.411 -2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.067 13.994 -2.325 1.00 0.00 H new ATOM 1019 N GLU A 68 12.467 12.824 1.284 1.00 0.00 N ATOM 1020 CA GLU A 68 12.625 13.648 2.477 1.00 0.00 C ATOM 1021 C GLU A 68 14.087 14.034 2.701 1.00 0.00 C ATOM 1022 O GLU A 68 14.389 14.891 3.532 1.00 0.00 O ATOM 1023 CB GLU A 68 12.089 12.909 3.704 1.00 0.00 C ATOM 1024 CG GLU A 68 12.865 11.645 4.039 1.00 0.00 C ATOM 1025 CD GLU A 68 12.281 10.899 5.224 1.00 0.00 C ATOM 1026 OE1 GLU A 68 11.038 10.814 5.317 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.066 10.401 6.057 1.00 0.00 O ATOM 0 H GLU A 68 12.198 11.858 1.472 1.00 0.00 H new ATOM 0 HA GLU A 68 12.053 14.563 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.115 13.580 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.044 12.650 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.875 10.988 3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.902 11.905 4.253 1.00 0.00 H new ATOM 1034 N SER A 69 14.993 13.399 1.960 1.00 0.00 N ATOM 1035 CA SER A 69 16.420 13.681 2.086 1.00 0.00 C ATOM 1036 C SER A 69 16.702 15.170 1.917 1.00 0.00 C ATOM 1037 O SER A 69 17.700 15.685 2.422 1.00 0.00 O ATOM 1038 CB SER A 69 17.214 12.879 1.054 1.00 0.00 C ATOM 1039 OG SER A 69 16.642 11.599 0.852 1.00 0.00 O ATOM 0 H SER A 69 14.764 12.687 1.267 1.00 0.00 H new ATOM 0 HA SER A 69 16.734 13.384 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.241 13.422 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.246 12.771 1.389 1.00 0.00 H new ATOM 0 HG SER A 69 17.167 11.107 0.187 1.00 0.00 H new ATOM 1045 N LYS A 70 15.814 15.855 1.209 1.00 0.00 N ATOM 1046 CA LYS A 70 15.961 17.286 0.977 1.00 0.00 C ATOM 1047 C LYS A 70 15.562 18.076 2.218 1.00 0.00 C ATOM 1048 O LYS A 70 16.410 18.663 2.890 1.00 0.00 O ATOM 1049 CB LYS A 70 15.108 17.721 -0.217 1.00 0.00 C ATOM 1050 CG LYS A 70 15.770 17.469 -1.561 1.00 0.00 C ATOM 1051 CD LYS A 70 16.984 18.362 -1.761 1.00 0.00 C ATOM 1052 CE LYS A 70 17.457 18.342 -3.206 1.00 0.00 C ATOM 1053 NZ LYS A 70 18.307 19.522 -3.528 1.00 0.00 N ATOM 0 H LYS A 70 14.983 15.442 0.785 1.00 0.00 H new ATOM 0 HA LYS A 70 17.009 17.491 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.156 17.191 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.884 18.784 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.071 16.424 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.051 17.646 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.737 19.384 -1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.792 18.032 -1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.020 17.427 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.593 18.324 -3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.609 19.471 -4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.762 20.394 -3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.144 19.525 -2.911 1.00 0.00 H new ATOM 1067 N LYS A 71 14.263 18.082 2.517 1.00 0.00 N ATOM 1068 CA LYS A 71 13.735 18.795 3.681 1.00 0.00 C ATOM 1069 C LYS A 71 14.381 20.170 3.831 1.00 0.00 C ATOM 1070 O LYS A 71 15.313 20.347 4.616 1.00 0.00 O ATOM 1071 CB LYS A 71 13.951 17.973 4.955 1.00 0.00 C ATOM 1072 CG LYS A 71 15.372 17.461 5.124 1.00 0.00 C ATOM 1073 CD LYS A 71 15.558 16.765 6.462 1.00 0.00 C ATOM 1074 CE LYS A 71 16.210 17.684 7.482 1.00 0.00 C ATOM 1075 NZ LYS A 71 17.156 16.949 8.367 1.00 0.00 N ATOM 0 H LYS A 71 13.554 17.599 1.966 1.00 0.00 H new ATOM 0 HA LYS A 71 12.666 18.937 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.690 18.585 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.268 17.124 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.609 16.768 4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.071 18.293 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.591 16.431 6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.172 15.875 6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.743 18.481 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.439 18.158 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.580 17.611 9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.643 16.204 8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.907 16.518 7.791 1.00 0.00 H new ATOM 1089 N ARG A 72 13.882 21.139 3.072 1.00 0.00 N ATOM 1090 CA ARG A 72 14.415 22.498 3.123 1.00 0.00 C ATOM 1091 C ARG A 72 13.310 23.528 2.914 1.00 0.00 C ATOM 1092 O ARG A 72 12.130 23.182 2.843 1.00 0.00 O ATOM 1093 CB ARG A 72 15.520 22.691 2.076 1.00 0.00 C ATOM 1094 CG ARG A 72 15.501 21.663 0.954 1.00 0.00 C ATOM 1095 CD ARG A 72 14.142 21.605 0.276 1.00 0.00 C ATOM 1096 NE ARG A 72 14.159 22.245 -1.038 1.00 0.00 N ATOM 1097 CZ ARG A 72 13.276 21.989 -2.000 1.00 0.00 C ATOM 1098 NH1 ARG A 72 12.301 21.110 -1.802 1.00 0.00 N ATOM 1099 NH2 ARG A 72 13.367 22.615 -3.165 1.00 0.00 N ATOM 0 H ARG A 72 13.112 21.011 2.416 1.00 0.00 H new ATOM 0 HA ARG A 72 14.843 22.648 4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.425 23.687 1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.489 22.651 2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.266 21.912 0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.751 20.681 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.834 20.565 0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.400 22.094 0.908 1.00 0.00 H new ATOM 0 HE ARG A 72 14.891 22.929 -1.229 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.225 20.626 -0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.628 20.919 -2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.113 23.292 -3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.691 22.420 -3.903 1.00 0.00 H new ATOM 1113 N LYS A 73 13.700 24.795 2.821 1.00 0.00 N ATOM 1114 CA LYS A 73 12.742 25.876 2.624 1.00 0.00 C ATOM 1115 C LYS A 73 12.745 26.350 1.175 1.00 0.00 C ATOM 1116 O LYS A 73 13.370 25.735 0.312 1.00 0.00 O ATOM 1117 CB LYS A 73 13.062 27.045 3.557 1.00 0.00 C ATOM 1118 CG LYS A 73 13.304 26.621 4.995 1.00 0.00 C ATOM 1119 CD LYS A 73 14.717 26.103 5.189 1.00 0.00 C ATOM 1120 CE LYS A 73 15.142 26.173 6.647 1.00 0.00 C ATOM 1121 NZ LYS A 73 16.455 25.511 6.876 1.00 0.00 N ATOM 0 H LYS A 73 14.672 25.098 2.879 1.00 0.00 H new ATOM 0 HA LYS A 73 11.748 25.494 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.945 27.565 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.238 27.758 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.131 27.467 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.589 25.846 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.779 25.072 4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.407 26.687 4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.203 27.216 6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.383 25.699 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.708 25.581 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.391 24.509 6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.185 25.980 6.302 1.00 0.00 H new ATOM 1135 N ASP A 74 12.044 27.449 0.915 1.00 0.00 N ATOM 1136 CA ASP A 74 11.968 28.004 -0.432 1.00 0.00 C ATOM 1137 C ASP A 74 12.651 29.363 -0.502 1.00 0.00 C ATOM 1138 O ASP A 74 13.287 29.701 -1.501 1.00 0.00 O ATOM 1139 CB ASP A 74 10.510 28.128 -0.877 1.00 0.00 C ATOM 1140 CG ASP A 74 9.633 28.766 0.183 1.00 0.00 C ATOM 1141 OD1 ASP A 74 9.790 29.980 0.431 1.00 0.00 O ATOM 1142 OD2 ASP A 74 8.790 28.051 0.765 1.00 0.00 O ATOM 0 H ASP A 74 11.521 27.972 1.618 1.00 0.00 H new ATOM 0 HA ASP A 74 12.488 27.323 -1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.461 28.721 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.122 27.139 -1.119 1.00 0.00 H new ATOM 1147 N ASN A 75 12.516 30.134 0.568 1.00 0.00 N ATOM 1148 CA ASN A 75 13.120 31.465 0.647 1.00 0.00 C ATOM 1149 C ASN A 75 12.574 32.247 1.836 1.00 0.00 C ATOM 1150 O ASN A 75 13.266 33.089 2.410 1.00 0.00 O ATOM 1151 CB ASN A 75 12.872 32.249 -0.647 1.00 0.00 C ATOM 1152 CG ASN A 75 14.105 32.317 -1.526 1.00 0.00 C ATOM 1153 OD1 ASN A 75 15.137 31.721 -1.216 1.00 0.00 O ATOM 1154 ND2 ASN A 75 14.004 33.047 -2.631 1.00 0.00 N ATOM 0 H ASN A 75 11.991 29.862 1.400 1.00 0.00 H new ATOM 0 HA ASN A 75 14.193 31.333 0.783 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.059 31.781 -1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.549 33.260 -0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.801 33.130 -3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.129 33.524 -2.849 1.00 0.00 H new ATOM 1161 N GLU A 76 11.330 31.968 2.195 1.00 0.00 N ATOM 1162 CA GLU A 76 10.683 32.649 3.312 1.00 0.00 C ATOM 1163 C GLU A 76 10.771 31.820 4.591 1.00 0.00 C ATOM 1164 O GLU A 76 9.901 31.908 5.458 1.00 0.00 O ATOM 1165 CB GLU A 76 9.218 32.939 2.978 1.00 0.00 C ATOM 1166 CG GLU A 76 8.584 33.985 3.880 1.00 0.00 C ATOM 1167 CD GLU A 76 7.177 33.613 4.305 1.00 0.00 C ATOM 1168 OE1 GLU A 76 7.034 32.871 5.300 1.00 0.00 O ATOM 1169 OE2 GLU A 76 6.218 34.064 3.644 1.00 0.00 O ATOM 0 H GLU A 76 10.745 31.274 1.730 1.00 0.00 H new ATOM 0 HA GLU A 76 11.207 33.590 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.149 33.274 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.647 32.013 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.204 34.119 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.561 34.942 3.360 1.00 0.00 H new ATOM 1176 N GLY A 77 11.825 31.019 4.704 1.00 0.00 N ATOM 1177 CA GLY A 77 12.003 30.191 5.883 1.00 0.00 C ATOM 1178 C GLY A 77 10.881 29.188 6.073 1.00 0.00 C ATOM 1179 O GLY A 77 10.717 28.632 7.159 1.00 0.00 O ATOM 0 H GLY A 77 12.559 30.928 4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.951 29.658 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.066 30.830 6.764 1.00 0.00 H new ATOM 1183 N ASN A 78 10.109 28.950 5.017 1.00 0.00 N ATOM 1184 CA ASN A 78 9.002 28.003 5.079 1.00 0.00 C ATOM 1185 C ASN A 78 9.531 26.579 5.260 1.00 0.00 C ATOM 1186 O ASN A 78 10.609 26.382 5.818 1.00 0.00 O ATOM 1187 CB ASN A 78 8.150 28.108 3.810 1.00 0.00 C ATOM 1188 CG ASN A 78 7.798 29.543 3.470 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.769 30.411 4.343 1.00 0.00 O ATOM 1190 ND2 ASN A 78 7.525 29.799 2.196 1.00 0.00 N ATOM 0 H ASN A 78 10.230 29.399 4.109 1.00 0.00 H new ATOM 0 HA ASN A 78 8.376 28.246 5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.689 27.661 2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.233 27.533 3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.279 30.746 1.907 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.561 29.049 1.506 1.00 0.00 H new ATOM 1197 N GLU A 79 8.776 25.588 4.792 1.00 0.00 N ATOM 1198 CA GLU A 79 9.190 24.195 4.912 1.00 0.00 C ATOM 1199 C GLU A 79 8.575 23.349 3.802 1.00 0.00 C ATOM 1200 O GLU A 79 7.354 23.245 3.693 1.00 0.00 O ATOM 1201 CB GLU A 79 8.787 23.637 6.279 1.00 0.00 C ATOM 1202 CG GLU A 79 9.204 22.191 6.493 1.00 0.00 C ATOM 1203 CD GLU A 79 8.138 21.375 7.198 1.00 0.00 C ATOM 1204 OE1 GLU A 79 7.177 20.946 6.525 1.00 0.00 O ATOM 1205 OE2 GLU A 79 8.264 21.166 8.423 1.00 0.00 O ATOM 0 H GLU A 79 7.878 25.724 4.328 1.00 0.00 H new ATOM 0 HA GLU A 79 10.275 24.154 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.232 24.254 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.705 23.715 6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.427 21.735 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.123 22.165 7.078 1.00 0.00 H new ATOM 1212 N VAL A 80 9.429 22.748 2.979 1.00 0.00 N ATOM 1213 CA VAL A 80 8.963 21.915 1.878 1.00 0.00 C ATOM 1214 C VAL A 80 8.908 20.446 2.276 1.00 0.00 C ATOM 1215 O VAL A 80 7.829 19.860 2.364 1.00 0.00 O ATOM 1216 CB VAL A 80 9.858 22.060 0.644 1.00 0.00 C ATOM 1217 CG1 VAL A 80 9.315 21.236 -0.515 1.00 0.00 C ATOM 1218 CG2 VAL A 80 10.001 23.523 0.254 1.00 0.00 C ATOM 0 H VAL A 80 10.444 22.822 3.054 1.00 0.00 H new ATOM 0 HA VAL A 80 7.958 22.260 1.634 1.00 0.00 H new ATOM 0 HB VAL A 80 10.849 21.679 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.966 21.353 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.278 20.185 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.311 21.579 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.641 23.604 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.018 23.937 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.447 24.078 1.080 1.00 0.00 H new ATOM 1228 N VAL A 81 10.082 19.861 2.518 1.00 0.00 N ATOM 1229 CA VAL A 81 10.194 18.460 2.909 1.00 0.00 C ATOM 1230 C VAL A 81 9.105 17.604 2.259 1.00 0.00 C ATOM 1231 O VAL A 81 8.091 17.287 2.880 1.00 0.00 O ATOM 1232 CB VAL A 81 10.145 18.317 4.440 1.00 0.00 C ATOM 1233 CG1 VAL A 81 8.905 18.989 5.008 1.00 0.00 C ATOM 1234 CG2 VAL A 81 10.218 16.855 4.856 1.00 0.00 C ATOM 0 H VAL A 81 10.977 20.345 2.448 1.00 0.00 H new ATOM 0 HA VAL A 81 11.159 18.098 2.553 1.00 0.00 H new ATOM 0 HB VAL A 81 11.018 18.822 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.893 18.874 6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.918 20.049 4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.014 18.526 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.181 16.784 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.375 16.312 4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.150 16.420 4.495 1.00 0.00 H new ATOM 1244 N PRO A 82 9.305 17.227 0.983 1.00 0.00 N ATOM 1245 CA PRO A 82 8.345 16.418 0.231 1.00 0.00 C ATOM 1246 C PRO A 82 7.746 15.285 1.061 1.00 0.00 C ATOM 1247 O PRO A 82 8.470 14.462 1.621 1.00 0.00 O ATOM 1248 CB PRO A 82 9.193 15.859 -0.908 1.00 0.00 C ATOM 1249 CG PRO A 82 10.217 16.911 -1.161 1.00 0.00 C ATOM 1250 CD PRO A 82 10.488 17.572 0.168 1.00 0.00 C ATOM 0 HA PRO A 82 7.484 17.002 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.657 14.912 -0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.590 15.670 -1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.128 16.475 -1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.856 17.637 -1.889 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.407 17.199 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.600 18.651 0.062 1.00 0.00 H new ATOM 1258 N LYS A 83 6.420 15.252 1.134 1.00 0.00 N ATOM 1259 CA LYS A 83 5.720 14.223 1.894 1.00 0.00 C ATOM 1260 C LYS A 83 5.778 12.881 1.174 1.00 0.00 C ATOM 1261 O LYS A 83 6.034 12.817 -0.028 1.00 0.00 O ATOM 1262 CB LYS A 83 4.264 14.630 2.128 1.00 0.00 C ATOM 1263 CG LYS A 83 4.050 15.408 3.417 1.00 0.00 C ATOM 1264 CD LYS A 83 2.574 15.659 3.678 1.00 0.00 C ATOM 1265 CE LYS A 83 2.368 16.570 4.877 1.00 0.00 C ATOM 1266 NZ LYS A 83 1.155 16.197 5.656 1.00 0.00 N ATOM 0 H LYS A 83 5.808 15.927 0.676 1.00 0.00 H new ATOM 0 HA LYS A 83 6.217 14.118 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.925 15.235 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.643 13.734 2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.479 14.855 4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.578 16.360 3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.119 16.108 2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.067 14.709 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.244 16.522 5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.278 17.602 4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.050 16.842 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.316 16.267 5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.251 15.221 6.002 1.00 0.00 H new ATOM 1280 N PRO A 84 5.556 11.787 1.916 1.00 0.00 N ATOM 1281 CA PRO A 84 5.596 10.429 1.382 1.00 0.00 C ATOM 1282 C PRO A 84 4.281 10.025 0.723 1.00 0.00 C ATOM 1283 O PRO A 84 3.210 10.488 1.114 1.00 0.00 O ATOM 1284 CB PRO A 84 5.864 9.568 2.633 1.00 0.00 C ATOM 1285 CG PRO A 84 5.995 10.535 3.773 1.00 0.00 C ATOM 1286 CD PRO A 84 5.269 11.769 3.348 1.00 0.00 C ATOM 0 HA PRO A 84 6.347 10.317 0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.048 8.866 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.773 8.978 2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.565 10.123 4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.042 10.751 3.984 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.200 11.709 3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.641 12.660 3.854 1.00 0.00 H new ATOM 1311 N ARG A 86 1.827 6.898 -0.099 1.00 0.00 N ATOM 1312 CA ARG A 86 1.474 5.517 0.213 1.00 0.00 C ATOM 1313 C ARG A 86 0.116 5.159 -0.380 1.00 0.00 C ATOM 1314 O ARG A 86 -0.827 5.948 -0.315 1.00 0.00 O ATOM 1315 CB ARG A 86 1.455 5.305 1.727 1.00 0.00 C ATOM 1316 CG ARG A 86 0.757 6.419 2.490 1.00 0.00 C ATOM 1317 CD ARG A 86 0.320 5.959 3.871 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.122 7.074 4.705 1.00 0.00 N ATOM 1319 CZ ARG A 86 -0.200 7.022 6.033 1.00 0.00 C ATOM 1320 NH1 ARG A 86 0.132 5.912 6.682 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -0.611 8.082 6.715 1.00 0.00 N ATOM 0 HA ARG A 86 2.227 4.864 -0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.959 4.360 1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.481 5.218 2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.428 7.272 2.585 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.112 6.758 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.490 5.236 3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.147 5.446 4.361 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.386 7.944 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.449 5.093 6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.070 5.878 7.700 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.867 8.937 6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.671 8.042 7.732 1.00 0.00 H new ATOM 1335 N HIS A 87 0.018 3.964 -0.956 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.230 3.510 -1.556 1.00 0.00 C ATOM 1337 C HIS A 87 -2.056 2.731 -0.539 1.00 0.00 C ATOM 1338 O HIS A 87 -1.679 1.634 -0.129 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.944 2.640 -2.783 1.00 0.00 C ATOM 1340 CG HIS A 87 0.250 3.088 -3.570 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.164 3.939 -4.651 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.565 2.802 -3.421 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.375 4.157 -5.134 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.242 3.480 -4.405 1.00 0.00 N ATOM 0 H HIS A 87 0.786 3.296 -1.019 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.800 4.384 -1.872 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.791 1.610 -2.460 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.819 2.643 -3.433 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.000 2.161 -2.669 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.614 4.783 -5.981 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.252 3.463 -4.549 1.00 0.00 H new ATOM 1353 N MET A 88 -3.181 3.309 -0.131 1.00 0.00 N ATOM 1354 CA MET A 88 -4.055 2.672 0.847 1.00 0.00 C ATOM 1355 C MET A 88 -5.226 1.972 0.165 1.00 0.00 C ATOM 1356 O MET A 88 -5.869 2.535 -0.721 1.00 0.00 O ATOM 1357 CB MET A 88 -4.578 3.709 1.843 1.00 0.00 C ATOM 1358 CG MET A 88 -5.486 3.123 2.913 1.00 0.00 C ATOM 1359 SD MET A 88 -6.090 4.368 4.069 1.00 0.00 S ATOM 1360 CE MET A 88 -6.440 3.356 5.505 1.00 0.00 C ATOM 0 H MET A 88 -3.509 4.216 -0.462 1.00 0.00 H new ATOM 0 HA MET A 88 -3.471 1.922 1.381 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.731 4.197 2.325 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.123 4.480 1.299 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.335 2.634 2.436 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.943 2.354 3.463 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.054 3.846 6.399 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.517 3.222 5.602 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.962 2.383 5.390 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.502 0.744 0.591 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.600 -0.031 0.029 1.00 0.00 C ATOM 1372 C PHE A 89 -7.394 -0.722 1.131 1.00 0.00 C ATOM 1373 O PHE A 89 -6.843 -1.496 1.914 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.078 -1.072 -0.961 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.976 -0.570 -1.846 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.683 -0.462 -1.365 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.232 -0.210 -3.160 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.664 -0.007 -2.175 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.214 0.247 -3.976 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.928 0.348 -3.483 1.00 0.00 C ATOM 0 H PHE A 89 -4.980 0.265 1.324 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.258 0.659 -0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.719 -1.939 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.905 -1.413 -1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.469 -0.737 -0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.236 -0.287 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.659 0.072 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.424 0.525 -4.998 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.131 0.704 -4.119 1.00 0.00 H new ATOM 1390 N SER A 90 -8.691 -0.439 1.188 1.00 0.00 N ATOM 1391 CA SER A 90 -9.557 -1.037 2.196 1.00 0.00 C ATOM 1392 C SER A 90 -10.303 -2.237 1.628 1.00 0.00 C ATOM 1393 O SER A 90 -11.141 -2.095 0.738 1.00 0.00 O ATOM 1394 CB SER A 90 -10.563 -0.006 2.708 1.00 0.00 C ATOM 1395 OG SER A 90 -10.791 -0.160 4.098 1.00 0.00 O ATOM 0 H SER A 90 -9.164 0.200 0.549 1.00 0.00 H new ATOM 0 HA SER A 90 -8.930 -1.373 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.192 0.999 2.507 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.504 -0.113 2.168 1.00 0.00 H new ATOM 0 HG SER A 90 -11.437 0.513 4.400 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.000 -3.417 2.151 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.651 -4.637 1.693 1.00 0.00 C ATOM 1403 C PHE A 91 -11.893 -4.936 2.526 1.00 0.00 C ATOM 1404 O PHE A 91 -11.926 -4.670 3.726 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.677 -5.812 1.760 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.517 -5.672 0.819 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.577 -4.672 1.004 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.369 -6.536 -0.251 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.510 -4.539 0.138 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.305 -6.409 -1.121 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.372 -5.409 -0.926 1.00 0.00 C ATOM 0 H PHE A 91 -9.310 -3.556 2.890 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.960 -4.491 0.658 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.301 -5.906 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.213 -6.733 1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.680 -3.989 1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.095 -7.320 -0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.783 -3.755 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.202 -7.090 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.537 -5.308 -1.604 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.913 -5.491 1.879 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.158 -5.829 2.560 1.00 0.00 C ATOM 1423 C ASN A 92 -14.193 -7.313 2.909 1.00 0.00 C ATOM 1424 O ASN A 92 -15.248 -7.946 2.874 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.358 -5.469 1.683 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.839 -4.050 1.914 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.792 -3.541 3.034 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.306 -3.403 0.853 1.00 0.00 N ATOM 0 H ASN A 92 -12.902 -5.716 0.884 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.210 -5.253 3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.088 -5.592 0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.173 -6.163 1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.644 -2.445 0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.327 -3.864 -0.057 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.028 -7.860 3.239 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.912 -9.270 3.589 1.00 0.00 C ATOM 1437 C ASN A 93 -11.473 -9.617 3.946 1.00 0.00 C ATOM 1438 O ASN A 93 -10.572 -9.505 3.114 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.389 -10.146 2.428 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.583 -11.002 2.796 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.261 -10.749 3.792 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -14.845 -12.024 1.991 1.00 0.00 N ATOM 0 H ASN A 93 -12.148 -7.346 3.271 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.542 -9.460 4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.649 -9.511 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.571 -10.790 2.104 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.636 -12.638 2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.256 -12.196 1.176 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.264 -10.048 5.185 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.933 -10.422 5.643 1.00 0.00 C ATOM 1451 C ARG A 94 -9.374 -11.564 4.800 1.00 0.00 C ATOM 1452 O ARG A 94 -8.176 -11.835 4.827 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.968 -10.831 7.117 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.728 -10.413 7.893 1.00 0.00 C ATOM 1455 CD ARG A 94 -9.091 -9.701 9.187 1.00 0.00 C ATOM 1456 NE ARG A 94 -10.129 -10.411 9.930 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.903 -11.495 10.669 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -8.678 -11.997 10.765 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -10.904 -12.079 11.313 1.00 0.00 N ATOM 0 H ARG A 94 -11.997 -10.147 5.887 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.282 -9.555 5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.847 -10.390 7.587 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.080 -11.913 7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.125 -11.293 8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.116 -9.756 7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.201 -9.604 9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.433 -8.691 8.961 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.084 -10.055 9.880 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.904 -11.552 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.510 -12.828 11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.847 -11.698 11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.731 -12.910 11.879 1.00 0.00 H new ATOM 1473 N THR A 95 -10.246 -12.228 4.045 1.00 0.00 N ATOM 1474 CA THR A 95 -9.826 -13.328 3.194 1.00 0.00 C ATOM 1475 C THR A 95 -9.085 -12.792 1.977 1.00 0.00 C ATOM 1476 O THR A 95 -8.044 -13.319 1.584 1.00 0.00 O ATOM 1477 CB THR A 95 -11.043 -14.153 2.778 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.154 -15.319 3.573 1.00 0.00 O ATOM 1479 CG2 THR A 95 -11.031 -14.586 1.329 1.00 0.00 C ATOM 0 H THR A 95 -11.244 -12.021 4.008 1.00 0.00 H new ATOM 0 HA THR A 95 -9.145 -13.975 3.747 1.00 0.00 H new ATOM 0 HB THR A 95 -11.893 -13.486 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.940 -15.833 3.292 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.929 -15.166 1.115 1.00 0.00 H new ATOM 0 HG22 THR A 95 -11.006 -13.706 0.686 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.149 -15.198 1.140 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.624 -11.728 1.400 1.00 0.00 N ATOM 1488 CA VAL A 96 -9.010 -11.098 0.239 1.00 0.00 C ATOM 1489 C VAL A 96 -7.677 -10.498 0.641 1.00 0.00 C ATOM 1490 O VAL A 96 -6.647 -10.758 0.020 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.891 -9.979 -0.360 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.769 -9.947 -1.875 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.342 -10.135 0.067 1.00 0.00 C ATOM 0 H VAL A 96 -10.485 -11.282 1.716 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.884 -11.871 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.532 -9.026 0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.398 -9.151 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.731 -9.763 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.090 -10.904 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.938 -9.334 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.721 -11.098 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.409 -10.086 1.154 1.00 0.00 H new ATOM 1503 N MET A 97 -7.710 -9.700 1.700 1.00 0.00 N ATOM 1504 CA MET A 97 -6.505 -9.065 2.208 1.00 0.00 C ATOM 1505 C MET A 97 -5.498 -10.120 2.650 1.00 0.00 C ATOM 1506 O MET A 97 -4.292 -9.954 2.474 1.00 0.00 O ATOM 1507 CB MET A 97 -6.843 -8.128 3.368 1.00 0.00 C ATOM 1508 CG MET A 97 -7.111 -8.840 4.682 1.00 0.00 C ATOM 1509 SD MET A 97 -5.631 -9.007 5.696 1.00 0.00 S ATOM 1510 CE MET A 97 -5.970 -7.792 6.965 1.00 0.00 C ATOM 0 H MET A 97 -8.558 -9.478 2.222 1.00 0.00 H new ATOM 0 HA MET A 97 -6.060 -8.474 1.408 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.019 -7.428 3.508 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.720 -7.538 3.101 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.869 -8.291 5.240 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.520 -9.829 4.478 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.030 -7.418 7.371 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.534 -6.964 6.535 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.553 -8.252 7.763 1.00 0.00 H new ATOM 1520 N ASP A 98 -6.003 -11.213 3.215 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.140 -12.298 3.666 1.00 0.00 C ATOM 1522 C ASP A 98 -4.470 -12.963 2.473 1.00 0.00 C ATOM 1523 O ASP A 98 -3.323 -13.402 2.551 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.939 -13.329 4.469 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.100 -14.524 4.882 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.928 -15.443 4.054 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.616 -14.540 6.033 1.00 0.00 O ATOM 0 H ASP A 98 -6.999 -11.370 3.370 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.371 -11.880 4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.349 -12.852 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.785 -13.672 3.873 1.00 0.00 H new ATOM 1532 N ASN A 99 -5.196 -13.018 1.366 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.683 -13.613 0.139 1.00 0.00 C ATOM 1534 C ASN A 99 -3.809 -12.615 -0.615 1.00 0.00 C ATOM 1535 O ASN A 99 -2.919 -13.003 -1.370 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.837 -14.076 -0.752 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.431 -15.393 -0.292 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.732 -16.401 -0.191 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.729 -15.390 -0.009 1.00 0.00 N ATOM 0 H ASN A 99 -6.147 -12.656 1.292 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.075 -14.478 0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.615 -13.313 -0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.482 -14.179 -1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.184 -16.247 0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.270 -14.531 -0.107 1.00 0.00 H new ATOM 1546 N ILE A 100 -4.076 -11.329 -0.402 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.324 -10.260 -1.053 1.00 0.00 C ATOM 1548 C ILE A 100 -2.070 -9.912 -0.262 1.00 0.00 C ATOM 1549 O ILE A 100 -0.953 -10.009 -0.771 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.193 -8.993 -1.199 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.290 -9.226 -2.241 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.337 -7.782 -1.562 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.905 -8.798 -3.640 1.00 0.00 C ATOM 0 H ILE A 100 -4.813 -11.000 0.221 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.035 -10.620 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.667 -8.783 -0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.547 -10.285 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.186 -8.684 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.973 -6.902 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.598 -7.611 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.827 -7.967 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.733 -8.994 -4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.676 -7.732 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.028 -9.359 -3.964 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.269 -9.496 0.984 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.166 -9.119 1.861 1.00 0.00 C ATOM 1567 C LYS A 101 -0.024 -10.129 1.776 1.00 0.00 C ATOM 1568 O LYS A 101 1.143 -9.778 1.948 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.660 -9.022 3.304 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.588 -8.581 4.287 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.611 -9.427 5.550 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.804 -9.084 6.428 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.561 -9.430 7.856 1.00 0.00 N ATOM 0 H LYS A 101 -3.191 -9.411 1.412 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.791 -8.149 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.492 -8.319 3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.047 -9.993 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.392 -8.655 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.739 -7.533 4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.647 -10.483 5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.311 -9.272 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.022 -8.019 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.684 -9.618 6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.398 -9.181 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.378 -10.450 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.737 -8.901 8.206 1.00 0.00 H new ATOM 1587 N MET A 102 -0.371 -11.384 1.505 1.00 0.00 N ATOM 1588 CA MET A 102 0.623 -12.441 1.393 1.00 0.00 C ATOM 1589 C MET A 102 1.307 -12.381 0.037 1.00 0.00 C ATOM 1590 O MET A 102 2.515 -12.586 -0.070 1.00 0.00 O ATOM 1591 CB MET A 102 -0.025 -13.813 1.593 1.00 0.00 C ATOM 1592 CG MET A 102 -1.117 -14.128 0.584 1.00 0.00 C ATOM 1593 SD MET A 102 -1.641 -15.853 0.642 1.00 0.00 S ATOM 1594 CE MET A 102 -2.334 -15.943 2.291 1.00 0.00 C ATOM 0 H MET A 102 -1.333 -11.691 1.359 1.00 0.00 H new ATOM 0 HA MET A 102 1.370 -12.292 2.172 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.746 -14.581 1.532 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.446 -13.863 2.597 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.977 -13.485 0.772 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.758 -13.895 -0.418 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.102 -16.913 2.731 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.906 -15.153 2.909 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.415 -15.817 2.239 1.00 0.00 H new ATOM 1604 N THR A 103 0.526 -12.092 -1.000 1.00 0.00 N ATOM 1605 CA THR A 103 1.056 -11.999 -2.345 1.00 0.00 C ATOM 1606 C THR A 103 2.149 -10.946 -2.424 1.00 0.00 C ATOM 1607 O THR A 103 3.293 -11.249 -2.760 1.00 0.00 O ATOM 1608 CB THR A 103 -0.064 -11.656 -3.322 1.00 0.00 C ATOM 1609 OG1 THR A 103 -1.332 -11.860 -2.728 1.00 0.00 O ATOM 1610 CG2 THR A 103 -0.019 -12.469 -4.589 1.00 0.00 C ATOM 0 H THR A 103 -0.477 -11.919 -0.928 1.00 0.00 H new ATOM 0 HA THR A 103 1.487 -12.964 -2.612 1.00 0.00 H new ATOM 0 HB THR A 103 0.088 -10.607 -3.575 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.399 -12.784 -2.408 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.843 -12.175 -5.239 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.927 -12.294 -5.100 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.109 -13.528 -4.345 1.00 0.00 H new ATOM 1618 N LEU A 104 1.791 -9.707 -2.104 1.00 0.00 N ATOM 1619 CA LEU A 104 2.748 -8.608 -2.132 1.00 0.00 C ATOM 1620 C LEU A 104 4.024 -9.013 -1.407 1.00 0.00 C ATOM 1621 O LEU A 104 5.113 -8.996 -1.981 1.00 0.00 O ATOM 1622 CB LEU A 104 2.161 -7.354 -1.477 1.00 0.00 C ATOM 1623 CG LEU A 104 0.725 -6.999 -1.877 1.00 0.00 C ATOM 1624 CD1 LEU A 104 0.006 -6.312 -0.727 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.716 -6.109 -3.107 1.00 0.00 C ATOM 0 H LEU A 104 0.848 -9.440 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 104 2.976 -8.381 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.195 -7.483 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.804 -6.507 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 104 0.199 -7.924 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.012 -6.067 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.021 -6.979 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.536 -5.397 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.313 -5.868 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.260 -5.189 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.194 -6.630 -3.937 1.00 0.00 H new ATOM 1637 N GLN A 105 3.871 -9.392 -0.143 1.00 0.00 N ATOM 1638 CA GLN A 105 4.997 -9.817 0.676 1.00 0.00 C ATOM 1639 C GLN A 105 5.733 -10.988 0.028 1.00 0.00 C ATOM 1640 O GLN A 105 6.963 -11.032 0.028 1.00 0.00 O ATOM 1641 CB GLN A 105 4.513 -10.216 2.073 1.00 0.00 C ATOM 1642 CG GLN A 105 4.920 -9.241 3.164 1.00 0.00 C ATOM 1643 CD GLN A 105 4.016 -9.320 4.378 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.455 -9.675 5.472 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.743 -8.992 4.190 1.00 0.00 N ATOM 0 H GLN A 105 2.972 -9.413 0.338 1.00 0.00 H new ATOM 0 HA GLN A 105 5.689 -8.979 0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.426 -10.300 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.906 -11.203 2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.947 -9.446 3.466 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.901 -8.226 2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.422 -8.703 3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.086 -9.029 4.970 1.00 0.00 H new ATOM 1654 N GLN A 106 4.977 -11.937 -0.528 1.00 0.00 N ATOM 1655 CA GLN A 106 5.574 -13.101 -1.178 1.00 0.00 C ATOM 1656 C GLN A 106 6.565 -12.660 -2.247 1.00 0.00 C ATOM 1657 O GLN A 106 7.597 -13.297 -2.461 1.00 0.00 O ATOM 1658 CB GLN A 106 4.487 -13.980 -1.800 1.00 0.00 C ATOM 1659 CG GLN A 106 3.999 -15.087 -0.880 1.00 0.00 C ATOM 1660 CD GLN A 106 3.586 -16.334 -1.636 1.00 0.00 C ATOM 1661 OE1 GLN A 106 4.404 -17.217 -1.896 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.310 -16.413 -1.995 1.00 0.00 N ATOM 0 H GLN A 106 3.957 -11.921 -0.540 1.00 0.00 H new ATOM 0 HA GLN A 106 6.106 -13.682 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.641 -13.353 -2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.872 -14.425 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.788 -15.340 -0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.153 -14.723 -0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.666 -15.658 -1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.974 -17.229 -2.507 1.00 0.00 H new ATOM 1671 N ILE A 107 6.241 -11.555 -2.904 1.00 0.00 N ATOM 1672 CA ILE A 107 7.088 -10.997 -3.946 1.00 0.00 C ATOM 1673 C ILE A 107 8.153 -10.091 -3.339 1.00 0.00 C ATOM 1674 O ILE A 107 9.342 -10.238 -3.616 1.00 0.00 O ATOM 1675 CB ILE A 107 6.255 -10.205 -4.966 1.00 0.00 C ATOM 1676 CG1 ILE A 107 5.009 -10.996 -5.374 1.00 0.00 C ATOM 1677 CG2 ILE A 107 7.100 -9.885 -6.178 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.917 -10.136 -5.974 1.00 0.00 C ATOM 0 H ILE A 107 5.388 -11.023 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 107 7.574 -11.826 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 107 5.928 -9.272 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.295 -11.762 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.614 -11.513 -4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.505 -9.323 -6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.960 -9.289 -5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.445 -10.812 -6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.065 -10.762 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.604 -9.386 -5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.295 -9.639 -6.868 1.00 0.00 H new ATOM 1690 N ILE A 108 7.713 -9.162 -2.500 1.00 0.00 N ATOM 1691 CA ILE A 108 8.619 -8.227 -1.828 1.00 0.00 C ATOM 1692 C ILE A 108 9.869 -8.928 -1.325 1.00 0.00 C ATOM 1693 O ILE A 108 10.987 -8.571 -1.690 1.00 0.00 O ATOM 1694 CB ILE A 108 7.940 -7.537 -0.629 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.589 -6.938 -1.052 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.868 -6.481 -0.036 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.407 -5.475 -0.702 1.00 0.00 C ATOM 0 H ILE A 108 6.729 -9.032 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 108 8.890 -7.480 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 108 7.742 -8.277 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.476 -7.056 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.790 -7.512 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.378 -6.000 0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.790 -6.955 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.100 -5.733 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.426 -5.140 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.484 -5.347 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.180 -4.884 -1.193 1.00 0.00 H new ATOM 1709 N SER A 109 9.663 -9.923 -0.484 1.00 0.00 N ATOM 1710 CA SER A 109 10.765 -10.692 0.089 1.00 0.00 C ATOM 1711 C SER A 109 11.767 -11.107 -0.983 1.00 0.00 C ATOM 1712 O SER A 109 12.950 -11.294 -0.703 1.00 0.00 O ATOM 1713 CB SER A 109 10.232 -11.930 0.810 1.00 0.00 C ATOM 1714 OG SER A 109 9.027 -12.386 0.220 1.00 0.00 O ATOM 0 H SER A 109 8.738 -10.224 -0.177 1.00 0.00 H new ATOM 0 HA SER A 109 11.278 -10.052 0.807 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.979 -12.723 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.060 -11.697 1.861 1.00 0.00 H new ATOM 0 HG SER A 109 8.267 -11.919 0.626 1.00 0.00 H new ATOM 1720 N ARG A 110 11.283 -11.246 -2.209 1.00 0.00 N ATOM 1721 CA ARG A 110 12.133 -11.638 -3.324 1.00 0.00 C ATOM 1722 C ARG A 110 13.046 -10.486 -3.749 1.00 0.00 C ATOM 1723 O ARG A 110 14.112 -10.714 -4.314 1.00 0.00 O ATOM 1724 CB ARG A 110 11.280 -12.154 -4.500 1.00 0.00 C ATOM 1725 CG ARG A 110 11.519 -11.452 -5.831 1.00 0.00 C ATOM 1726 CD ARG A 110 10.955 -12.256 -6.992 1.00 0.00 C ATOM 1727 NE ARG A 110 11.807 -12.179 -8.176 1.00 0.00 N ATOM 1728 CZ ARG A 110 12.925 -12.885 -8.332 1.00 0.00 C ATOM 1729 NH1 ARG A 110 13.328 -13.721 -7.384 1.00 0.00 N ATOM 1730 NH2 ARG A 110 13.641 -12.755 -9.441 1.00 0.00 N ATOM 0 H ARG A 110 10.305 -11.093 -2.457 1.00 0.00 H new ATOM 0 HA ARG A 110 12.776 -12.456 -2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 110 11.474 -13.219 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 110 10.227 -12.051 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 110 11.057 -10.465 -5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 110 12.588 -11.300 -5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 110 10.845 -13.298 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.959 -11.888 -7.238 1.00 0.00 H new ATOM 0 HE ARG A 110 11.529 -11.547 -8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 110 12.780 -13.826 -6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 110 14.185 -14.259 -7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 110 13.335 -12.115 -10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 110 14.498 -13.295 -9.561 1.00 0.00 H new ATOM 1744 N TYR A 111 12.632 -9.254 -3.465 1.00 0.00 N ATOM 1745 CA TYR A 111 13.436 -8.085 -3.817 1.00 0.00 C ATOM 1746 C TYR A 111 14.615 -7.975 -2.867 1.00 0.00 C ATOM 1747 O TYR A 111 15.710 -7.570 -3.256 1.00 0.00 O ATOM 1748 CB TYR A 111 12.626 -6.781 -3.750 1.00 0.00 C ATOM 1749 CG TYR A 111 11.171 -6.883 -4.165 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.684 -7.976 -4.872 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.281 -5.865 -3.841 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.359 -8.050 -5.241 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.952 -5.931 -4.209 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.495 -7.026 -4.907 1.00 0.00 C ATOM 1755 OH TYR A 111 7.173 -7.097 -5.274 1.00 0.00 O ATOM 0 H TYR A 111 11.752 -9.039 -2.996 1.00 0.00 H new ATOM 0 HA TYR A 111 13.775 -8.222 -4.844 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.667 -6.403 -2.729 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.113 -6.040 -4.384 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.355 -8.780 -5.136 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.636 -5.006 -3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.997 -8.907 -5.790 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.276 -5.129 -3.951 1.00 0.00 H new ATOM 0 HH TYR A 111 6.621 -7.252 -4.479 1.00 0.00 H new ATOM 1765 N LYS A 112 14.377 -8.355 -1.618 1.00 0.00 N ATOM 1766 CA LYS A 112 15.411 -8.319 -0.599 1.00 0.00 C ATOM 1767 C LYS A 112 16.236 -9.570 -0.728 1.00 0.00 C ATOM 1768 O LYS A 112 17.467 -9.545 -0.690 1.00 0.00 O ATOM 1769 CB LYS A 112 14.833 -8.222 0.821 1.00 0.00 C ATOM 1770 CG LYS A 112 13.337 -8.420 0.885 1.00 0.00 C ATOM 1771 CD LYS A 112 12.625 -7.293 0.175 1.00 0.00 C ATOM 1772 CE LYS A 112 12.764 -5.990 0.926 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.594 -5.094 0.716 1.00 0.00 N ATOM 0 H LYS A 112 13.473 -8.692 -1.288 1.00 0.00 H new ATOM 0 HA LYS A 112 16.018 -7.427 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.316 -8.968 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.079 -7.245 1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.070 -9.373 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.014 -8.464 1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.032 -7.180 -0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.569 -7.540 0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.876 -6.196 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.672 -5.481 0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.886 -4.105 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.230 -5.220 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.848 -5.331 1.401 1.00 0.00 H new ATOM 1787 N ASP A 113 15.523 -10.666 -0.919 1.00 0.00 N ATOM 1788 CA ASP A 113 16.152 -11.960 -1.104 1.00 0.00 C ATOM 1789 C ASP A 113 17.002 -11.921 -2.362 1.00 0.00 C ATOM 1790 O ASP A 113 18.048 -12.565 -2.446 1.00 0.00 O ATOM 1791 CB ASP A 113 15.101 -13.067 -1.204 1.00 0.00 C ATOM 1792 CG ASP A 113 14.560 -13.475 0.152 1.00 0.00 C ATOM 1793 OD1 ASP A 113 14.271 -12.577 0.971 1.00 0.00 O ATOM 1794 OD2 ASP A 113 14.426 -14.693 0.396 1.00 0.00 O ATOM 0 H ASP A 113 14.504 -10.684 -0.950 1.00 0.00 H new ATOM 0 HA ASP A 113 16.783 -12.178 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.278 -12.727 -1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 113 15.539 -13.937 -1.694 1.00 0.00 H new ATOM 1799 N ALA A 114 16.549 -11.131 -3.330 1.00 0.00 N ATOM 1800 CA ALA A 114 17.270 -10.968 -4.579 1.00 0.00 C ATOM 1801 C ALA A 114 18.209 -9.769 -4.505 1.00 0.00 C ATOM 1802 O ALA A 114 19.139 -9.647 -5.303 1.00 0.00 O ATOM 1803 CB ALA A 114 16.306 -10.818 -5.746 1.00 0.00 C ATOM 0 H ALA A 114 15.684 -10.594 -3.269 1.00 0.00 H new ATOM 0 HA ALA A 114 17.867 -11.865 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.870 -10.697 -6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.679 -11.707 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.677 -9.942 -5.588 1.00 0.00 H new