USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 873 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 35 SER OG : rot -55:sc= 1.31 USER MOD Set 1.2: A 111 ASN : amide:sc= -1.01 X(o=0.3,f=0.39) USER MOD Set 2.1: A 28 HIS : no HE2:sc= -1.22! C(o=-2.9!,f=-10!) USER MOD Set 2.2: A 34 GLN : amide:sc= 0.488 K(o=-2.9,f=-4) USER MOD Set 2.3: A 61 THR OG1 : rot 71:sc= -0.115 USER MOD Set 2.4: A 64 HIS : no HE2:sc= -2.51! C(o=-2.9!,f=-9.2!) USER MOD Set 2.5: A 104 TYR OH : rot 12:sc= 0.482 USER MOD Set 3.1: A 66 HIS : no HE2:sc= -1.02 K(o=-0.038,f=-2.1) USER MOD Set 3.2: A 95 GLN : amide:sc= -0.288 X(o=-0.038,f=-0.11) USER MOD Set 3.3: A 98 SER OG : rot 37:sc= 1.27 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -150:sc= 0 USER MOD Single : A 41 MET CE :methyl -162:sc= -0.177 (180deg=-0.74) USER MOD Single : A 44 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.065) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 93:sc= 1.19 USER MOD Single : A 71 MET CE :methyl -146:sc= -0.0775 (180deg=-0.381) USER MOD Single : A 75 GLN : amide:sc= 0.243 X(o=0.24,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 60:sc= 0.387 USER MOD Single : A 85 THR OG1 : rot 140:sc= 0.0138 USER MOD Single : A 89 SER OG : rot -85:sc= 1.15 USER MOD Single : A 93 GLN : amide:sc= 1.14 K(o=1.1,f=-0.39) USER MOD Single : A 109 SER OG : rot 86:sc= 1 USER MOD Single : A 110 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.678) USER MOD Single : A 112 THR OG1 : rot -90:sc= -0.0328 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 119 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.721 11.863 -4.015 1.00 0.00 N ATOM 2 CA MET A 23 -5.605 12.528 -4.980 1.00 0.00 C ATOM 3 C MET A 23 -5.779 13.949 -4.479 1.00 0.00 C ATOM 4 O MET A 23 -6.594 14.180 -3.579 1.00 0.00 O ATOM 5 CB MET A 23 -6.949 11.792 -5.105 1.00 0.00 C ATOM 6 CG MET A 23 -7.841 12.452 -6.162 1.00 0.00 C ATOM 7 SD MET A 23 -9.546 11.846 -6.190 1.00 0.00 S ATOM 8 CE MET A 23 -10.147 12.844 -7.578 1.00 0.00 C ATOM 0 HA MET A 23 -5.177 12.522 -5.983 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.773 10.750 -5.372 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.459 11.793 -4.142 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.854 13.528 -5.988 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.396 12.294 -7.145 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.197 12.617 -7.762 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.041 13.902 -7.338 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.565 12.614 -8.470 1.00 0.00 H new ATOM 20 N LYS A 24 -4.942 14.876 -4.966 1.00 0.00 N ATOM 21 CA LYS A 24 -4.512 16.049 -4.196 1.00 0.00 C ATOM 22 C LYS A 24 -3.893 15.581 -2.860 1.00 0.00 C ATOM 23 O LYS A 24 -3.815 14.374 -2.606 1.00 0.00 O ATOM 24 CB LYS A 24 -5.684 17.055 -4.121 1.00 0.00 C ATOM 25 CG LYS A 24 -5.356 18.476 -3.636 1.00 0.00 C ATOM 26 CD LYS A 24 -5.932 18.801 -2.254 1.00 0.00 C ATOM 27 CE LYS A 24 -7.466 18.857 -2.290 1.00 0.00 C ATOM 28 NZ LYS A 24 -8.012 19.584 -1.130 1.00 0.00 N ATOM 0 H LYS A 24 -4.545 14.833 -5.905 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.708 16.607 -4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.129 17.130 -5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.445 16.639 -3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.273 18.600 -3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.741 19.195 -4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.610 18.046 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.539 19.757 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.791 19.343 -3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.867 17.844 -2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.050 19.601 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.723 19.106 -0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.649 20.559 -1.129 1.00 0.00 H new ATOM 42 N VAL A 25 -3.429 16.517 -2.031 1.00 0.00 N ATOM 43 CA VAL A 25 -2.610 16.278 -0.840 1.00 0.00 C ATOM 44 C VAL A 25 -1.191 15.883 -1.317 1.00 0.00 C ATOM 45 O VAL A 25 -1.057 15.245 -2.366 1.00 0.00 O ATOM 46 CB VAL A 25 -3.351 15.349 0.171 1.00 0.00 C ATOM 47 CG1 VAL A 25 -2.609 14.070 0.585 1.00 0.00 C ATOM 48 CG2 VAL A 25 -3.779 16.147 1.409 1.00 0.00 C ATOM 0 H VAL A 25 -3.622 17.508 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.458 17.167 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.220 14.987 -0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.221 13.506 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.415 13.460 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.663 14.335 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.295 15.487 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.898 16.569 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.449 16.953 1.109 1.00 0.00 H new ATOM 58 N PRO A 26 -0.120 16.243 -0.580 1.00 0.00 N ATOM 59 CA PRO A 26 1.257 16.138 -1.058 1.00 0.00 C ATOM 60 C PRO A 26 1.641 14.728 -1.533 1.00 0.00 C ATOM 61 O PRO A 26 1.741 13.821 -0.698 1.00 0.00 O ATOM 62 CB PRO A 26 2.152 16.656 0.072 1.00 0.00 C ATOM 63 CG PRO A 26 1.274 16.567 1.316 1.00 0.00 C ATOM 64 CD PRO A 26 -0.125 16.810 0.758 1.00 0.00 C ATOM 0 HA PRO A 26 1.385 16.742 -1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.052 16.051 0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.476 17.680 -0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.354 15.593 1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.549 17.315 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.883 16.335 1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.356 17.875 0.731 1.00 0.00 H new ATOM 72 N PRO A 27 1.868 14.523 -2.850 1.00 0.00 N ATOM 73 CA PRO A 27 2.307 13.250 -3.386 1.00 0.00 C ATOM 74 C PRO A 27 3.758 13.028 -2.964 1.00 0.00 C ATOM 75 O PRO A 27 4.704 13.539 -3.577 1.00 0.00 O ATOM 76 CB PRO A 27 2.110 13.334 -4.901 1.00 0.00 C ATOM 77 CG PRO A 27 2.283 14.821 -5.190 1.00 0.00 C ATOM 78 CD PRO A 27 1.748 15.498 -3.929 1.00 0.00 C ATOM 0 HA PRO A 27 1.744 12.395 -3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.843 12.731 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.124 12.977 -5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.328 15.076 -5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.725 15.125 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.317 16.399 -3.702 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.710 15.802 -4.063 1.00 0.00 H new ATOM 86 N HIS A 28 3.931 12.278 -1.884 1.00 0.00 N ATOM 87 CA HIS A 28 5.179 11.770 -1.339 1.00 0.00 C ATOM 88 C HIS A 28 5.640 10.607 -2.227 1.00 0.00 C ATOM 89 O HIS A 28 5.765 9.472 -1.779 1.00 0.00 O ATOM 90 CB HIS A 28 4.963 11.421 0.150 1.00 0.00 C ATOM 91 CG HIS A 28 3.691 10.688 0.488 1.00 0.00 C ATOM 92 ND1 HIS A 28 2.409 11.198 0.436 1.00 0.00 N ATOM 93 CD2 HIS A 28 3.618 9.400 0.948 1.00 0.00 C ATOM 94 CE1 HIS A 28 1.584 10.205 0.800 1.00 0.00 C ATOM 95 NE2 HIS A 28 2.271 9.116 1.172 1.00 0.00 N ATOM 0 H HIS A 28 3.133 11.986 -1.320 1.00 0.00 H new ATOM 0 HA HIS A 28 5.985 12.503 -1.351 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.805 10.816 0.485 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.987 12.347 0.725 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.141 12.146 0.172 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.449 8.729 1.108 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.506 10.274 0.794 1.00 0.00 H new ATOM 103 N SER A 29 5.857 10.922 -3.509 1.00 0.00 N ATOM 104 CA SER A 29 6.074 9.991 -4.607 1.00 0.00 C ATOM 105 C SER A 29 5.021 8.880 -4.568 1.00 0.00 C ATOM 106 O SER A 29 5.322 7.696 -4.498 1.00 0.00 O ATOM 107 CB SER A 29 7.528 9.524 -4.621 1.00 0.00 C ATOM 108 OG SER A 29 8.368 10.667 -4.684 1.00 0.00 O ATOM 0 H SER A 29 5.886 11.893 -3.819 1.00 0.00 H new ATOM 0 HA SER A 29 5.930 10.481 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.747 8.942 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.709 8.874 -5.477 1.00 0.00 H new ATOM 0 HG SER A 29 9.197 10.438 -5.154 1.00 0.00 H new ATOM 114 N ILE A 30 3.758 9.298 -4.628 1.00 0.00 N ATOM 115 CA ILE A 30 2.562 8.466 -4.586 1.00 0.00 C ATOM 116 C ILE A 30 2.652 7.371 -5.646 1.00 0.00 C ATOM 117 O ILE A 30 2.288 6.239 -5.386 1.00 0.00 O ATOM 118 CB ILE A 30 1.334 9.425 -4.748 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.355 9.449 -3.568 1.00 0.00 C ATOM 120 CG2 ILE A 30 0.487 9.255 -6.016 1.00 0.00 C ATOM 121 CD1 ILE A 30 1.043 9.607 -2.224 1.00 0.00 C ATOM 0 H ILE A 30 3.531 10.289 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 30 2.453 7.934 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 30 1.876 10.368 -4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.351 10.268 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.225 8.526 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.330 9.977 -6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.110 9.422 -6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.078 8.245 -6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.295 9.617 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.728 8.774 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.600 10.544 -2.208 1.00 0.00 H new ATOM 133 N GLU A 31 3.052 7.682 -6.870 1.00 0.00 N ATOM 134 CA GLU A 31 3.114 6.670 -7.918 1.00 0.00 C ATOM 135 C GLU A 31 4.177 5.593 -7.673 1.00 0.00 C ATOM 136 O GLU A 31 3.969 4.432 -8.028 1.00 0.00 O ATOM 137 CB GLU A 31 3.133 7.373 -9.267 1.00 0.00 C ATOM 138 CG GLU A 31 1.660 7.738 -9.544 1.00 0.00 C ATOM 139 CD GLU A 31 1.484 8.788 -10.637 1.00 0.00 C ATOM 140 OE1 GLU A 31 1.923 8.576 -11.787 1.00 0.00 O ATOM 141 OE2 GLU A 31 0.872 9.844 -10.341 1.00 0.00 O ATOM 0 H GLU A 31 3.336 8.617 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 31 2.214 6.055 -7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.762 8.263 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.532 6.723 -10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.119 6.836 -9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.206 8.105 -8.623 1.00 0.00 H new ATOM 148 N ALA A 32 5.280 5.961 -7.020 1.00 0.00 N ATOM 149 CA ALA A 32 6.268 5.023 -6.504 1.00 0.00 C ATOM 150 C ALA A 32 5.684 4.219 -5.339 1.00 0.00 C ATOM 151 O ALA A 32 5.872 3.007 -5.284 1.00 0.00 O ATOM 152 CB ALA A 32 7.523 5.771 -6.043 1.00 0.00 C ATOM 0 H ALA A 32 5.512 6.937 -6.834 1.00 0.00 H new ATOM 0 HA ALA A 32 6.540 4.336 -7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.252 5.057 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.954 6.313 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.258 6.476 -5.255 1.00 0.00 H new ATOM 158 N GLU A 33 4.982 4.870 -4.412 1.00 0.00 N ATOM 159 CA GLU A 33 4.358 4.242 -3.247 1.00 0.00 C ATOM 160 C GLU A 33 3.341 3.188 -3.720 1.00 0.00 C ATOM 161 O GLU A 33 3.392 2.036 -3.289 1.00 0.00 O ATOM 162 CB GLU A 33 3.877 5.360 -2.276 1.00 0.00 C ATOM 163 CG GLU A 33 2.447 5.765 -2.184 1.00 0.00 C ATOM 164 CD GLU A 33 1.628 5.003 -1.163 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.280 3.841 -1.446 1.00 0.00 O ATOM 166 OE2 GLU A 33 1.116 5.698 -0.249 1.00 0.00 O ATOM 0 H GLU A 33 4.827 5.877 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 33 5.047 3.656 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.183 5.059 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.442 6.258 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.401 6.827 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.986 5.639 -3.164 1.00 0.00 H new ATOM 173 N GLN A 34 2.562 3.506 -4.759 1.00 0.00 N ATOM 174 CA GLN A 34 1.684 2.567 -5.440 1.00 0.00 C ATOM 175 C GLN A 34 2.457 1.362 -5.996 1.00 0.00 C ATOM 176 O GLN A 34 1.931 0.249 -5.980 1.00 0.00 O ATOM 177 CB GLN A 34 0.946 3.264 -6.590 1.00 0.00 C ATOM 178 CG GLN A 34 -0.125 4.229 -6.093 1.00 0.00 C ATOM 179 CD GLN A 34 -0.778 5.047 -7.205 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.429 4.965 -8.379 1.00 0.00 O ATOM 181 NE2 GLN A 34 -1.758 5.865 -6.861 1.00 0.00 N ATOM 0 H GLN A 34 2.528 4.446 -5.154 1.00 0.00 H new ATOM 0 HA GLN A 34 0.967 2.206 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.665 3.808 -7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.485 2.512 -7.231 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.896 3.664 -5.569 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.320 4.909 -5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.047 5.932 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.225 6.429 -7.571 1.00 0.00 H new ATOM 190 N SER A 35 3.670 1.559 -6.526 1.00 0.00 N ATOM 191 CA SER A 35 4.514 0.462 -6.981 1.00 0.00 C ATOM 192 C SER A 35 5.021 -0.384 -5.815 1.00 0.00 C ATOM 193 O SER A 35 5.138 -1.593 -6.000 1.00 0.00 O ATOM 194 CB SER A 35 5.696 0.974 -7.817 1.00 0.00 C ATOM 195 OG SER A 35 5.244 1.623 -8.991 1.00 0.00 O ATOM 0 H SER A 35 4.087 2.482 -6.649 1.00 0.00 H new ATOM 0 HA SER A 35 3.892 -0.172 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.294 1.665 -7.223 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.345 0.140 -8.085 1.00 0.00 H new ATOM 0 HG SER A 35 4.665 1.016 -9.498 1.00 0.00 H new ATOM 201 N VAL A 36 5.282 0.176 -4.629 1.00 0.00 N ATOM 202 CA VAL A 36 5.583 -0.632 -3.447 1.00 0.00 C ATOM 203 C VAL A 36 4.377 -1.536 -3.178 1.00 0.00 C ATOM 204 O VAL A 36 4.534 -2.757 -3.126 1.00 0.00 O ATOM 205 CB VAL A 36 5.962 0.242 -2.227 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.338 -0.622 -1.017 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.157 1.159 -2.526 1.00 0.00 C ATOM 0 H VAL A 36 5.290 1.183 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 36 6.462 -1.250 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 36 5.080 0.844 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.599 0.022 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.492 -1.252 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.191 -1.251 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.389 1.754 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.023 0.553 -2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.909 1.822 -3.355 1.00 0.00 H new ATOM 217 N LEU A 37 3.170 -0.963 -3.089 1.00 0.00 N ATOM 218 CA LEU A 37 1.945 -1.720 -2.834 1.00 0.00 C ATOM 219 C LEU A 37 1.756 -2.832 -3.869 1.00 0.00 C ATOM 220 O LEU A 37 1.479 -3.973 -3.508 1.00 0.00 O ATOM 221 CB LEU A 37 0.713 -0.797 -2.810 1.00 0.00 C ATOM 222 CG LEU A 37 0.716 0.304 -1.730 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.593 1.097 -1.815 1.00 0.00 C ATOM 224 CD2 LEU A 37 0.883 -0.279 -0.324 1.00 0.00 C ATOM 0 H LEU A 37 3.019 0.040 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 37 2.046 -2.180 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.621 -0.321 -3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.175 -1.413 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 37 1.566 0.961 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.596 1.877 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.679 1.553 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.436 0.426 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.880 0.529 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.060 -0.962 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.828 -0.819 -0.264 1.00 0.00 H new ATOM 236 N GLY A 38 1.920 -2.526 -5.157 1.00 0.00 N ATOM 237 CA GLY A 38 1.803 -3.514 -6.221 1.00 0.00 C ATOM 238 C GLY A 38 2.927 -4.548 -6.201 1.00 0.00 C ATOM 239 O GLY A 38 2.735 -5.680 -6.642 1.00 0.00 O ATOM 0 H GLY A 38 2.137 -1.586 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.845 -4.025 -6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.803 -3.004 -7.184 1.00 0.00 H new ATOM 243 N GLY A 39 4.112 -4.175 -5.724 1.00 0.00 N ATOM 244 CA GLY A 39 5.262 -5.054 -5.598 1.00 0.00 C ATOM 245 C GLY A 39 4.996 -6.128 -4.561 1.00 0.00 C ATOM 246 O GLY A 39 5.337 -7.282 -4.784 1.00 0.00 O ATOM 0 H GLY A 39 4.300 -3.224 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.482 -5.516 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.141 -4.475 -5.314 1.00 0.00 H new ATOM 250 N LEU A 40 4.346 -5.773 -3.458 1.00 0.00 N ATOM 251 CA LEU A 40 4.104 -6.687 -2.349 1.00 0.00 C ATOM 252 C LEU A 40 3.096 -7.778 -2.692 1.00 0.00 C ATOM 253 O LEU A 40 3.190 -8.882 -2.163 1.00 0.00 O ATOM 254 CB LEU A 40 3.604 -5.873 -1.160 1.00 0.00 C ATOM 255 CG LEU A 40 4.699 -4.971 -0.574 1.00 0.00 C ATOM 256 CD1 LEU A 40 4.021 -3.958 0.338 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.746 -5.784 0.188 1.00 0.00 C ATOM 0 H LEU A 40 3.970 -4.837 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 40 5.040 -7.193 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.758 -5.260 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.240 -6.549 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 40 5.231 -4.461 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.773 -3.299 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.311 -3.367 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.494 -4.482 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.506 -5.113 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.266 -6.319 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.214 -6.499 -0.488 1.00 0.00 H new ATOM 269 N MET A 41 2.141 -7.498 -3.586 1.00 0.00 N ATOM 270 CA MET A 41 1.202 -8.520 -4.046 1.00 0.00 C ATOM 271 C MET A 41 1.943 -9.623 -4.811 1.00 0.00 C ATOM 272 O MET A 41 1.534 -10.790 -4.779 1.00 0.00 O ATOM 273 CB MET A 41 0.128 -7.911 -4.959 1.00 0.00 C ATOM 274 CG MET A 41 -0.667 -6.771 -4.318 1.00 0.00 C ATOM 275 SD MET A 41 -1.964 -6.137 -5.411 1.00 0.00 S ATOM 276 CE MET A 41 -2.327 -4.556 -4.619 1.00 0.00 C ATOM 0 H MET A 41 2.001 -6.577 -4.002 1.00 0.00 H new ATOM 0 HA MET A 41 0.720 -8.945 -3.166 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.606 -7.541 -5.866 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.564 -8.697 -5.261 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.117 -7.122 -3.390 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.012 -5.960 -4.056 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.296 -4.192 -4.961 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.350 -4.688 -3.537 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.555 -3.832 -4.880 1.00 0.00 H new ATOM 286 N LEU A 42 3.008 -9.247 -5.527 1.00 0.00 N ATOM 287 CA LEU A 42 3.904 -10.143 -6.243 1.00 0.00 C ATOM 288 C LEU A 42 4.818 -10.863 -5.269 1.00 0.00 C ATOM 289 O LEU A 42 4.862 -12.092 -5.257 1.00 0.00 O ATOM 290 CB LEU A 42 4.745 -9.365 -7.262 1.00 0.00 C ATOM 291 CG LEU A 42 4.072 -9.365 -8.639 1.00 0.00 C ATOM 292 CD1 LEU A 42 4.419 -8.049 -9.320 1.00 0.00 C ATOM 293 CD2 LEU A 42 4.533 -10.565 -9.474 1.00 0.00 C ATOM 0 H LEU A 42 3.275 -8.267 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 42 3.298 -10.877 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.882 -8.339 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.737 -9.811 -7.337 1.00 0.00 H new ATOM 0 HG LEU A 42 2.991 -9.456 -8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.955 -8.016 -10.306 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.051 -7.219 -8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.501 -7.968 -9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.041 -10.542 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.613 -10.518 -9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.273 -11.489 -8.958 1.00 0.00 H new ATOM 305 N ASP A 43 5.543 -10.075 -4.488 1.00 0.00 N ATOM 306 CA ASP A 43 6.648 -10.483 -3.646 1.00 0.00 C ATOM 307 C ASP A 43 6.355 -10.142 -2.194 1.00 0.00 C ATOM 308 O ASP A 43 6.622 -9.043 -1.703 1.00 0.00 O ATOM 309 CB ASP A 43 7.929 -9.829 -4.150 1.00 0.00 C ATOM 310 CG ASP A 43 9.170 -10.360 -3.444 1.00 0.00 C ATOM 311 OD1 ASP A 43 9.076 -11.013 -2.381 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.259 -10.214 -4.044 1.00 0.00 O ATOM 0 H ASP A 43 5.361 -9.073 -4.425 1.00 0.00 H new ATOM 0 HA ASP A 43 6.781 -11.564 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.023 -10.000 -5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.865 -8.751 -4.004 1.00 0.00 H new ATOM 317 N ASN A 44 5.766 -11.121 -1.521 1.00 0.00 N ATOM 318 CA ASN A 44 5.393 -11.041 -0.119 1.00 0.00 C ATOM 319 C ASN A 44 6.559 -11.394 0.809 1.00 0.00 C ATOM 320 O ASN A 44 6.435 -11.179 2.014 1.00 0.00 O ATOM 321 CB ASN A 44 4.136 -11.867 0.173 1.00 0.00 C ATOM 322 CG ASN A 44 4.287 -13.329 -0.192 1.00 0.00 C ATOM 323 OD1 ASN A 44 4.634 -14.170 0.628 1.00 0.00 O ATOM 324 ND2 ASN A 44 3.965 -13.670 -1.427 1.00 0.00 N ATOM 0 H ASN A 44 5.529 -12.016 -1.949 1.00 0.00 H new ATOM 0 HA ASN A 44 5.144 -10.001 0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.894 -11.787 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.296 -11.446 -0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.003 -14.649 -1.712 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.678 -12.955 -2.095 1.00 0.00 H new ATOM 331 N GLU A 45 7.697 -11.860 0.284 1.00 0.00 N ATOM 332 CA GLU A 45 8.941 -12.004 1.044 1.00 0.00 C ATOM 333 C GLU A 45 9.587 -10.634 1.220 1.00 0.00 C ATOM 334 O GLU A 45 10.096 -10.319 2.300 1.00 0.00 O ATOM 335 CB GLU A 45 9.926 -12.926 0.304 1.00 0.00 C ATOM 336 CG GLU A 45 9.490 -14.391 0.220 1.00 0.00 C ATOM 337 CD GLU A 45 9.836 -15.154 1.493 1.00 0.00 C ATOM 338 OE1 GLU A 45 10.932 -15.754 1.573 1.00 0.00 O ATOM 339 OE2 GLU A 45 9.001 -15.238 2.418 1.00 0.00 O ATOM 0 H GLU A 45 7.780 -12.150 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 45 8.706 -12.440 2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.069 -12.545 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.894 -12.877 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.415 -14.442 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.974 -14.867 -0.633 1.00 0.00 H new ATOM 346 N ARG A 46 9.479 -9.752 0.220 1.00 0.00 N ATOM 347 CA ARG A 46 9.972 -8.389 0.355 1.00 0.00 C ATOM 348 C ARG A 46 9.060 -7.580 1.265 1.00 0.00 C ATOM 349 O ARG A 46 9.418 -6.443 1.547 1.00 0.00 O ATOM 350 CB ARG A 46 10.068 -7.721 -1.022 1.00 0.00 C ATOM 351 CG ARG A 46 11.255 -8.234 -1.841 1.00 0.00 C ATOM 352 CD ARG A 46 12.598 -7.582 -1.470 1.00 0.00 C ATOM 353 NE ARG A 46 13.591 -7.797 -2.537 1.00 0.00 N ATOM 354 CZ ARG A 46 14.798 -7.228 -2.645 1.00 0.00 C ATOM 355 NH1 ARG A 46 15.347 -6.566 -1.642 1.00 0.00 N ATOM 356 NH2 ARG A 46 15.480 -7.313 -3.778 1.00 0.00 N ATOM 0 H ARG A 46 9.056 -9.962 -0.684 1.00 0.00 H new ATOM 0 HA ARG A 46 10.966 -8.424 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.145 -7.900 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.158 -6.642 -0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.337 -9.313 -1.707 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.057 -8.058 -2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.457 -6.514 -1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.966 -8.002 -0.534 1.00 0.00 H new ATOM 0 HE ARG A 46 13.330 -8.451 -3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.849 -6.478 -0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.268 -6.143 -1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.086 -7.814 -4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.399 -6.877 -3.854 1.00 0.00 H new ATOM 370 N TRP A 47 7.960 -8.137 1.789 1.00 0.00 N ATOM 371 CA TRP A 47 7.193 -7.490 2.845 1.00 0.00 C ATOM 372 C TRP A 47 8.123 -7.071 3.969 1.00 0.00 C ATOM 373 O TRP A 47 8.099 -5.919 4.371 1.00 0.00 O ATOM 374 CB TRP A 47 6.097 -8.398 3.412 1.00 0.00 C ATOM 375 CG TRP A 47 5.425 -7.779 4.598 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.820 -7.916 5.887 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.403 -6.743 4.605 1.00 0.00 C ATOM 378 NE1 TRP A 47 5.135 -7.016 6.678 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.284 -6.235 5.930 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.621 -6.132 3.609 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.463 -5.145 6.242 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.767 -5.060 3.918 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.692 -4.561 5.226 1.00 0.00 C ATOM 0 H TRP A 47 7.586 -9.038 1.493 1.00 0.00 H new ATOM 0 HA TRP A 47 6.708 -6.619 2.404 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.356 -8.601 2.639 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.530 -9.356 3.698 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.558 -8.621 6.241 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.246 -6.939 7.689 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.678 -6.492 2.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.424 -4.759 7.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.163 -4.616 3.141 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.042 -3.729 5.451 1.00 0.00 H new ATOM 394 N ASP A 48 8.929 -7.994 4.485 1.00 0.00 N ATOM 395 CA ASP A 48 9.806 -7.714 5.627 1.00 0.00 C ATOM 396 C ASP A 48 10.893 -6.705 5.301 1.00 0.00 C ATOM 397 O ASP A 48 11.414 -6.029 6.190 1.00 0.00 O ATOM 398 CB ASP A 48 10.422 -9.033 6.102 1.00 0.00 C ATOM 399 CG ASP A 48 9.934 -9.459 7.486 1.00 0.00 C ATOM 400 OD1 ASP A 48 8.748 -9.240 7.832 1.00 0.00 O ATOM 401 OD2 ASP A 48 10.762 -10.029 8.235 1.00 0.00 O ATOM 0 H ASP A 48 8.996 -8.948 4.131 1.00 0.00 H new ATOM 0 HA ASP A 48 9.204 -7.265 6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.186 -9.817 5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.507 -8.934 6.121 1.00 0.00 H new ATOM 406 N ASP A 49 11.250 -6.631 4.027 1.00 0.00 N ATOM 407 CA ASP A 49 12.279 -5.741 3.508 1.00 0.00 C ATOM 408 C ASP A 49 11.717 -4.327 3.433 1.00 0.00 C ATOM 409 O ASP A 49 12.287 -3.372 3.951 1.00 0.00 O ATOM 410 CB ASP A 49 12.723 -6.233 2.127 1.00 0.00 C ATOM 411 CG ASP A 49 14.197 -5.980 1.844 1.00 0.00 C ATOM 412 OD1 ASP A 49 14.820 -5.026 2.368 1.00 0.00 O ATOM 413 OD2 ASP A 49 14.730 -6.720 0.992 1.00 0.00 O ATOM 0 H ASP A 49 10.818 -7.206 3.304 1.00 0.00 H new ATOM 0 HA ASP A 49 13.148 -5.736 4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.523 -7.302 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.123 -5.739 1.363 1.00 0.00 H new ATOM 418 N VAL A 50 10.532 -4.204 2.850 1.00 0.00 N ATOM 419 CA VAL A 50 9.744 -2.995 2.766 1.00 0.00 C ATOM 420 C VAL A 50 9.333 -2.560 4.172 1.00 0.00 C ATOM 421 O VAL A 50 9.443 -1.379 4.454 1.00 0.00 O ATOM 422 CB VAL A 50 8.564 -3.290 1.828 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.507 -2.182 1.858 1.00 0.00 C ATOM 424 CG2 VAL A 50 9.051 -3.420 0.372 1.00 0.00 C ATOM 0 H VAL A 50 10.074 -4.996 2.399 1.00 0.00 H new ATOM 0 HA VAL A 50 10.300 -2.155 2.351 1.00 0.00 H new ATOM 0 HB VAL A 50 8.122 -4.222 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.693 -2.437 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.116 -2.080 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.958 -1.240 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.202 -3.629 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.525 -2.488 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.772 -4.235 0.301 1.00 0.00 H new ATOM 434 N ALA A 51 8.955 -3.443 5.096 1.00 0.00 N ATOM 435 CA ALA A 51 8.672 -3.067 6.480 1.00 0.00 C ATOM 436 C ALA A 51 9.924 -2.486 7.163 1.00 0.00 C ATOM 437 O ALA A 51 9.827 -1.645 8.054 1.00 0.00 O ATOM 438 CB ALA A 51 8.115 -4.273 7.242 1.00 0.00 C ATOM 0 H ALA A 51 8.837 -4.438 4.906 1.00 0.00 H new ATOM 0 HA ALA A 51 7.916 -2.282 6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.906 -3.987 8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.195 -4.611 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.847 -5.080 7.231 1.00 0.00 H new ATOM 444 N GLU A 52 11.110 -2.898 6.723 1.00 0.00 N ATOM 445 CA GLU A 52 12.416 -2.377 7.095 1.00 0.00 C ATOM 446 C GLU A 52 12.814 -1.118 6.310 1.00 0.00 C ATOM 447 O GLU A 52 13.888 -0.552 6.524 1.00 0.00 O ATOM 448 CB GLU A 52 13.480 -3.480 6.968 1.00 0.00 C ATOM 449 CG GLU A 52 13.576 -4.308 8.249 1.00 0.00 C ATOM 450 CD GLU A 52 14.235 -3.528 9.390 1.00 0.00 C ATOM 451 OE1 GLU A 52 15.362 -3.007 9.207 1.00 0.00 O ATOM 452 OE2 GLU A 52 13.628 -3.415 10.478 1.00 0.00 O ATOM 0 H GLU A 52 11.185 -3.660 6.049 1.00 0.00 H new ATOM 0 HA GLU A 52 12.351 -2.063 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.234 -4.131 6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.449 -3.031 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.577 -4.621 8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.148 -5.215 8.052 1.00 0.00 H new ATOM 459 N ARG A 53 11.971 -0.649 5.394 1.00 0.00 N ATOM 460 CA ARG A 53 12.101 0.645 4.737 1.00 0.00 C ATOM 461 C ARG A 53 11.025 1.597 5.227 1.00 0.00 C ATOM 462 O ARG A 53 11.325 2.777 5.358 1.00 0.00 O ATOM 463 CB ARG A 53 11.993 0.509 3.208 1.00 0.00 C ATOM 464 CG ARG A 53 13.101 -0.289 2.508 1.00 0.00 C ATOM 465 CD ARG A 53 14.470 0.388 2.575 1.00 0.00 C ATOM 466 NE ARG A 53 15.142 0.172 3.865 1.00 0.00 N ATOM 467 CZ ARG A 53 16.304 0.717 4.228 1.00 0.00 C ATOM 468 NH1 ARG A 53 16.928 1.578 3.431 1.00 0.00 N ATOM 469 NH2 ARG A 53 16.841 0.392 5.395 1.00 0.00 N ATOM 0 H ARG A 53 11.155 -1.175 5.080 1.00 0.00 H new ATOM 0 HA ARG A 53 13.085 1.041 4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.037 0.041 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.971 1.510 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.170 -1.277 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.828 -0.437 1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.100 0.006 1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.351 1.458 2.405 1.00 0.00 H new ATOM 0 HE ARG A 53 14.683 -0.444 4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.519 1.829 2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.816 1.988 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.366 -0.270 6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.729 0.804 5.680 1.00 0.00 H new ATOM 483 N VAL A 54 9.817 1.112 5.511 1.00 0.00 N ATOM 484 CA VAL A 54 8.638 1.922 5.758 1.00 0.00 C ATOM 485 C VAL A 54 7.659 1.220 6.701 1.00 0.00 C ATOM 486 O VAL A 54 7.766 0.019 6.929 1.00 0.00 O ATOM 487 CB VAL A 54 7.911 2.151 4.413 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.544 3.226 3.538 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.732 0.909 3.530 1.00 0.00 C ATOM 0 H VAL A 54 9.632 0.111 5.576 1.00 0.00 H new ATOM 0 HA VAL A 54 8.959 2.858 6.215 1.00 0.00 H new ATOM 0 HB VAL A 54 6.932 2.472 4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.975 3.325 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.540 4.177 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.571 2.946 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.211 1.186 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.709 0.496 3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.148 0.161 4.067 1.00 0.00 H new ATOM 499 N VAL A 55 6.663 1.948 7.197 1.00 0.00 N ATOM 500 CA VAL A 55 5.500 1.422 7.908 1.00 0.00 C ATOM 501 C VAL A 55 4.267 2.175 7.383 1.00 0.00 C ATOM 502 O VAL A 55 4.409 3.224 6.752 1.00 0.00 O ATOM 503 CB VAL A 55 5.670 1.522 9.435 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.756 0.574 9.956 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.970 2.943 9.915 1.00 0.00 C ATOM 0 H VAL A 55 6.643 2.964 7.111 1.00 0.00 H new ATOM 0 HA VAL A 55 5.378 0.356 7.717 1.00 0.00 H new ATOM 0 HB VAL A 55 4.705 1.224 9.846 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.842 0.678 11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.490 -0.454 9.710 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.710 0.823 9.491 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.079 2.945 11.000 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.895 3.294 9.457 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.151 3.604 9.631 1.00 0.00 H new ATOM 515 N ALA A 56 3.047 1.709 7.674 1.00 0.00 N ATOM 516 CA ALA A 56 1.834 2.417 7.257 1.00 0.00 C ATOM 517 C ALA A 56 1.765 3.838 7.831 1.00 0.00 C ATOM 518 O ALA A 56 1.083 4.690 7.269 1.00 0.00 O ATOM 519 CB ALA A 56 0.578 1.642 7.680 1.00 0.00 C ATOM 0 H ALA A 56 2.875 0.849 8.194 1.00 0.00 H new ATOM 0 HA ALA A 56 1.875 2.489 6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.310 2.186 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.586 0.656 7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.566 1.533 8.764 1.00 0.00 H new ATOM 525 N ASP A 57 2.450 4.099 8.948 1.00 0.00 N ATOM 526 CA ASP A 57 2.533 5.429 9.549 1.00 0.00 C ATOM 527 C ASP A 57 3.315 6.416 8.679 1.00 0.00 C ATOM 528 O ASP A 57 3.191 7.624 8.881 1.00 0.00 O ATOM 529 CB ASP A 57 3.164 5.368 10.949 1.00 0.00 C ATOM 530 CG ASP A 57 2.177 4.900 12.006 1.00 0.00 C ATOM 531 OD1 ASP A 57 1.215 5.644 12.309 1.00 0.00 O ATOM 532 OD2 ASP A 57 2.378 3.774 12.522 1.00 0.00 O ATOM 0 H ASP A 57 2.966 3.386 9.463 1.00 0.00 H new ATOM 0 HA ASP A 57 1.508 5.790 9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.020 4.694 10.930 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.541 6.354 11.219 1.00 0.00 H new ATOM 537 N ASP A 58 4.103 5.952 7.711 1.00 0.00 N ATOM 538 CA ASP A 58 4.806 6.816 6.776 1.00 0.00 C ATOM 539 C ASP A 58 3.849 7.255 5.667 1.00 0.00 C ATOM 540 O ASP A 58 3.818 8.431 5.304 1.00 0.00 O ATOM 541 CB ASP A 58 6.014 6.071 6.192 1.00 0.00 C ATOM 542 CG ASP A 58 7.121 5.842 7.221 1.00 0.00 C ATOM 543 OD1 ASP A 58 7.463 6.794 7.962 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.633 4.702 7.284 1.00 0.00 O ATOM 0 H ASP A 58 4.270 4.958 7.556 1.00 0.00 H new ATOM 0 HA ASP A 58 5.167 7.704 7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.686 5.109 5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.415 6.640 5.353 1.00 0.00 H new ATOM 549 N PHE A 59 3.043 6.317 5.157 1.00 0.00 N ATOM 550 CA PHE A 59 2.121 6.483 4.040 1.00 0.00 C ATOM 551 C PHE A 59 1.092 7.544 4.437 1.00 0.00 C ATOM 552 O PHE A 59 0.187 7.281 5.232 1.00 0.00 O ATOM 553 CB PHE A 59 1.458 5.133 3.676 1.00 0.00 C ATOM 554 CG PHE A 59 2.336 4.126 2.935 1.00 0.00 C ATOM 555 CD1 PHE A 59 3.597 3.755 3.438 1.00 0.00 C ATOM 556 CD2 PHE A 59 1.904 3.548 1.725 1.00 0.00 C ATOM 557 CE1 PHE A 59 4.447 2.912 2.706 1.00 0.00 C ATOM 558 CE2 PHE A 59 2.744 2.677 1.006 1.00 0.00 C ATOM 559 CZ PHE A 59 4.029 2.376 1.479 1.00 0.00 C ATOM 0 H PHE A 59 3.019 5.371 5.538 1.00 0.00 H new ATOM 0 HA PHE A 59 2.650 6.814 3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.104 4.667 4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.580 5.337 3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.915 4.125 4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.919 3.775 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.428 2.675 3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.396 2.237 0.083 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.688 1.740 0.906 1.00 0.00 H new ATOM 569 N TYR A 60 1.230 8.774 3.940 1.00 0.00 N ATOM 570 CA TYR A 60 0.332 9.855 4.334 1.00 0.00 C ATOM 571 C TYR A 60 -1.065 9.662 3.725 1.00 0.00 C ATOM 572 O TYR A 60 -2.056 10.179 4.251 1.00 0.00 O ATOM 573 CB TYR A 60 0.936 11.221 3.977 1.00 0.00 C ATOM 574 CG TYR A 60 0.132 12.406 4.468 1.00 0.00 C ATOM 575 CD1 TYR A 60 -0.254 12.480 5.818 1.00 0.00 C ATOM 576 CD2 TYR A 60 -0.265 13.414 3.567 1.00 0.00 C ATOM 577 CE1 TYR A 60 -1.058 13.535 6.266 1.00 0.00 C ATOM 578 CE2 TYR A 60 -1.066 14.479 4.010 1.00 0.00 C ATOM 579 CZ TYR A 60 -1.470 14.536 5.363 1.00 0.00 C ATOM 580 OH TYR A 60 -2.294 15.529 5.792 1.00 0.00 O ATOM 0 H TYR A 60 1.950 9.043 3.269 1.00 0.00 H new ATOM 0 HA TYR A 60 0.213 9.827 5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.941 11.281 4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.036 11.289 2.894 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.071 11.720 6.513 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.047 13.367 2.534 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.362 13.582 7.301 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.372 15.251 3.320 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.484 16.140 5.050 1.00 0.00 H new ATOM 590 N THR A 61 -1.167 8.928 2.616 1.00 0.00 N ATOM 591 CA THR A 61 -2.368 8.796 1.812 1.00 0.00 C ATOM 592 C THR A 61 -3.381 7.839 2.445 1.00 0.00 C ATOM 593 O THR A 61 -3.165 6.628 2.478 1.00 0.00 O ATOM 594 CB THR A 61 -1.985 8.402 0.371 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.612 8.093 0.200 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.233 9.611 -0.534 1.00 0.00 C ATOM 0 H THR A 61 -0.382 8.392 2.245 1.00 0.00 H new ATOM 0 HA THR A 61 -2.874 9.761 1.771 1.00 0.00 H new ATOM 0 HB THR A 61 -2.580 7.520 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.412 7.240 0.638 1.00 0.00 H new ATOM 0 HG21 THR A 61 -1.969 9.357 -1.561 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.286 9.890 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.621 10.448 -0.199 1.00 0.00 H new ATOM 604 N ARG A 62 -4.523 8.374 2.897 1.00 0.00 N ATOM 605 CA ARG A 62 -5.662 7.635 3.452 1.00 0.00 C ATOM 606 C ARG A 62 -5.966 6.305 2.748 1.00 0.00 C ATOM 607 O ARG A 62 -5.988 5.291 3.447 1.00 0.00 O ATOM 608 CB ARG A 62 -6.904 8.547 3.489 1.00 0.00 C ATOM 609 CG ARG A 62 -6.963 9.358 4.790 1.00 0.00 C ATOM 610 CD ARG A 62 -8.004 10.490 4.774 1.00 0.00 C ATOM 611 NE ARG A 62 -9.321 10.108 4.229 1.00 0.00 N ATOM 612 CZ ARG A 62 -10.234 9.306 4.793 1.00 0.00 C ATOM 613 NH1 ARG A 62 -9.979 8.694 5.943 1.00 0.00 N ATOM 614 NH2 ARG A 62 -11.406 9.116 4.193 1.00 0.00 N ATOM 0 H ARG A 62 -4.684 9.381 2.885 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.379 7.349 4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.885 9.225 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.805 7.941 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.187 8.684 5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.979 9.785 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.139 10.855 5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.610 11.320 4.187 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.564 10.499 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.081 8.832 6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.681 8.086 6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.607 9.580 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.104 8.506 4.619 1.00 0.00 H new ATOM 628 N PRO A 63 -6.202 6.244 1.423 1.00 0.00 N ATOM 629 CA PRO A 63 -6.510 4.974 0.781 1.00 0.00 C ATOM 630 C PRO A 63 -5.290 4.057 0.791 1.00 0.00 C ATOM 631 O PRO A 63 -5.419 2.893 1.151 1.00 0.00 O ATOM 632 CB PRO A 63 -6.978 5.323 -0.634 1.00 0.00 C ATOM 633 CG PRO A 63 -6.334 6.680 -0.914 1.00 0.00 C ATOM 634 CD PRO A 63 -6.292 7.339 0.464 1.00 0.00 C ATOM 0 HA PRO A 63 -7.289 4.422 1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.657 4.573 -1.357 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.065 5.378 -0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.336 6.572 -1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.920 7.265 -1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.436 8.008 0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.185 7.939 0.638 1.00 0.00 H new ATOM 642 N HIS A 64 -4.113 4.570 0.426 1.00 0.00 N ATOM 643 CA HIS A 64 -2.891 3.785 0.339 1.00 0.00 C ATOM 644 C HIS A 64 -2.530 3.127 1.680 1.00 0.00 C ATOM 645 O HIS A 64 -2.181 1.945 1.703 1.00 0.00 O ATOM 646 CB HIS A 64 -1.746 4.672 -0.143 1.00 0.00 C ATOM 647 CG HIS A 64 -1.810 5.218 -1.559 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.843 6.035 -2.088 1.00 0.00 N ATOM 649 CD2 HIS A 64 -2.616 4.827 -2.594 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.982 6.069 -3.422 1.00 0.00 C ATOM 651 NE2 HIS A 64 -2.122 5.426 -3.770 1.00 0.00 N ATOM 0 H HIS A 64 -3.986 5.552 0.181 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.060 2.981 -0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.672 5.520 0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.821 4.104 -0.046 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -0.133 6.536 -1.553 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.475 4.177 -2.522 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.293 6.536 -4.110 1.00 0.00 H new ATOM 659 N ARG A 65 -2.697 3.846 2.802 1.00 0.00 N ATOM 660 CA ARG A 65 -2.487 3.304 4.145 1.00 0.00 C ATOM 661 C ARG A 65 -3.269 2.026 4.322 1.00 0.00 C ATOM 662 O ARG A 65 -2.779 1.113 4.984 1.00 0.00 O ATOM 663 CB ARG A 65 -2.997 4.241 5.250 1.00 0.00 C ATOM 664 CG ARG A 65 -2.028 5.318 5.727 1.00 0.00 C ATOM 665 CD ARG A 65 -2.277 5.626 7.212 1.00 0.00 C ATOM 666 NE ARG A 65 -3.682 5.991 7.484 1.00 0.00 N ATOM 667 CZ ARG A 65 -4.258 6.046 8.689 1.00 0.00 C ATOM 668 NH1 ARG A 65 -3.534 6.028 9.799 1.00 0.00 N ATOM 669 NH2 ARG A 65 -5.582 6.106 8.768 1.00 0.00 N ATOM 0 H ARG A 65 -2.983 4.825 2.798 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.410 3.160 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.902 4.731 4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.282 3.633 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.000 4.984 5.583 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.155 6.223 5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.008 4.756 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.625 6.442 7.525 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.265 6.222 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.517 5.971 9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.994 6.071 10.709 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.144 6.110 7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.037 6.148 9.680 1.00 0.00 H new ATOM 683 N HIS A 66 -4.503 1.989 3.816 1.00 0.00 N ATOM 684 CA HIS A 66 -5.359 0.858 4.046 1.00 0.00 C ATOM 685 C HIS A 66 -4.727 -0.418 3.527 1.00 0.00 C ATOM 686 O HIS A 66 -4.728 -1.399 4.258 1.00 0.00 O ATOM 687 CB HIS A 66 -6.722 1.061 3.420 1.00 0.00 C ATOM 688 CG HIS A 66 -7.742 0.367 4.268 1.00 0.00 C ATOM 689 ND1 HIS A 66 -7.682 -0.890 4.838 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.796 1.019 4.808 1.00 0.00 C ATOM 691 CE1 HIS A 66 -8.741 -1.005 5.656 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.422 0.157 5.713 1.00 0.00 N ATOM 0 H HIS A 66 -4.916 2.730 3.250 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.491 0.765 5.124 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.951 2.124 3.346 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.737 0.661 2.406 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -6.967 -1.598 4.669 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.101 2.030 4.580 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.009 -1.903 6.193 1.00 0.00 H new ATOM 700 N ILE A 67 -4.187 -0.406 2.302 1.00 0.00 N ATOM 701 CA ILE A 67 -3.489 -1.554 1.748 1.00 0.00 C ATOM 702 C ILE A 67 -2.371 -1.954 2.706 1.00 0.00 C ATOM 703 O ILE A 67 -2.357 -3.107 3.120 1.00 0.00 O ATOM 704 CB ILE A 67 -2.983 -1.292 0.310 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.152 -1.074 -0.676 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.178 -2.506 -0.187 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.581 0.381 -0.850 1.00 0.00 C ATOM 0 H ILE A 67 -4.226 0.399 1.677 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.183 -2.389 1.653 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.366 -0.394 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.867 -1.473 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.010 -1.652 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.823 -2.317 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.325 -2.671 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.815 -3.391 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.406 0.435 -1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.902 0.783 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.741 0.966 -1.225 1.00 0.00 H new ATOM 719 N PHE A 68 -1.487 -1.032 3.100 1.00 0.00 N ATOM 720 CA PHE A 68 -0.374 -1.353 3.994 1.00 0.00 C ATOM 721 C PHE A 68 -0.882 -2.009 5.278 1.00 0.00 C ATOM 722 O PHE A 68 -0.387 -3.051 5.690 1.00 0.00 O ATOM 723 CB PHE A 68 0.449 -0.088 4.295 1.00 0.00 C ATOM 724 CG PHE A 68 1.876 -0.336 4.772 1.00 0.00 C ATOM 725 CD1 PHE A 68 2.170 -1.077 5.937 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.939 0.192 4.021 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.505 -1.318 6.312 1.00 0.00 C ATOM 728 CE2 PHE A 68 4.269 -0.024 4.411 1.00 0.00 C ATOM 729 CZ PHE A 68 4.559 -0.797 5.546 1.00 0.00 C ATOM 0 H PHE A 68 -1.523 -0.054 2.812 1.00 0.00 H new ATOM 0 HA PHE A 68 0.280 -2.070 3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.486 0.524 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.074 0.494 5.054 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.365 -1.462 6.545 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.730 0.771 3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.719 -1.906 7.192 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.074 0.407 3.835 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.584 -0.989 5.827 1.00 0.00 H new ATOM 739 N THR A 69 -1.882 -1.408 5.915 1.00 0.00 N ATOM 740 CA THR A 69 -2.427 -1.857 7.188 1.00 0.00 C ATOM 741 C THR A 69 -3.082 -3.233 7.042 1.00 0.00 C ATOM 742 O THR A 69 -2.979 -4.056 7.955 1.00 0.00 O ATOM 743 CB THR A 69 -3.418 -0.794 7.698 1.00 0.00 C ATOM 744 OG1 THR A 69 -2.863 0.507 7.587 1.00 0.00 O ATOM 745 CG2 THR A 69 -3.791 -0.986 9.168 1.00 0.00 C ATOM 0 H THR A 69 -2.346 -0.576 5.550 1.00 0.00 H new ATOM 0 HA THR A 69 -1.628 -1.971 7.920 1.00 0.00 H new ATOM 0 HB THR A 69 -4.307 -0.908 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.126 0.903 6.730 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.492 -0.208 9.470 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.255 -1.963 9.301 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.893 -0.924 9.782 1.00 0.00 H new ATOM 753 N GLU A 70 -3.735 -3.494 5.909 1.00 0.00 N ATOM 754 CA GLU A 70 -4.417 -4.745 5.645 1.00 0.00 C ATOM 755 C GLU A 70 -3.404 -5.840 5.317 1.00 0.00 C ATOM 756 O GLU A 70 -3.503 -6.937 5.853 1.00 0.00 O ATOM 757 CB GLU A 70 -5.426 -4.551 4.501 1.00 0.00 C ATOM 758 CG GLU A 70 -6.590 -5.534 4.633 1.00 0.00 C ATOM 759 CD GLU A 70 -7.476 -5.255 5.855 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.475 -4.122 6.396 1.00 0.00 O ATOM 761 OE2 GLU A 70 -8.183 -6.201 6.268 1.00 0.00 O ATOM 0 H GLU A 70 -3.801 -2.826 5.141 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.964 -5.057 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.804 -3.529 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.928 -4.696 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.200 -5.489 3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.196 -6.548 4.701 1.00 0.00 H new ATOM 768 N MET A 71 -2.400 -5.542 4.488 1.00 0.00 N ATOM 769 CA MET A 71 -1.297 -6.443 4.183 1.00 0.00 C ATOM 770 C MET A 71 -0.542 -6.797 5.463 1.00 0.00 C ATOM 771 O MET A 71 -0.257 -7.968 5.703 1.00 0.00 O ATOM 772 CB MET A 71 -0.326 -5.797 3.191 1.00 0.00 C ATOM 773 CG MET A 71 -0.839 -5.670 1.758 1.00 0.00 C ATOM 774 SD MET A 71 0.465 -5.101 0.632 1.00 0.00 S ATOM 775 CE MET A 71 -0.281 -5.518 -0.960 1.00 0.00 C ATOM 0 H MET A 71 -2.334 -4.647 4.002 1.00 0.00 H new ATOM 0 HA MET A 71 -1.712 -7.347 3.737 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.069 -4.803 3.556 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.595 -6.380 3.179 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.218 -6.634 1.419 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.675 -4.971 1.730 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.499 -5.814 -1.661 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.983 -6.342 -0.828 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.810 -4.650 -1.352 1.00 0.00 H new ATOM 785 N ALA A 72 -0.251 -5.800 6.303 1.00 0.00 N ATOM 786 CA ALA A 72 0.390 -5.995 7.590 1.00 0.00 C ATOM 787 C ALA A 72 -0.450 -6.947 8.439 1.00 0.00 C ATOM 788 O ALA A 72 0.097 -7.902 8.988 1.00 0.00 O ATOM 789 CB ALA A 72 0.601 -4.644 8.289 1.00 0.00 C ATOM 0 H ALA A 72 -0.460 -4.823 6.098 1.00 0.00 H new ATOM 0 HA ALA A 72 1.373 -6.445 7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.083 -4.805 9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.233 -4.008 7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.363 -4.159 8.441 1.00 0.00 H new ATOM 795 N ARG A 73 -1.764 -6.710 8.533 1.00 0.00 N ATOM 796 CA ARG A 73 -2.686 -7.568 9.279 1.00 0.00 C ATOM 797 C ARG A 73 -2.746 -8.987 8.705 1.00 0.00 C ATOM 798 O ARG A 73 -2.805 -9.943 9.471 1.00 0.00 O ATOM 799 CB ARG A 73 -4.072 -6.907 9.326 1.00 0.00 C ATOM 800 CG ARG A 73 -5.059 -7.673 10.217 1.00 0.00 C ATOM 801 CD ARG A 73 -6.277 -6.793 10.513 1.00 0.00 C ATOM 802 NE ARG A 73 -7.244 -7.467 11.394 1.00 0.00 N ATOM 803 CZ ARG A 73 -7.284 -7.444 12.730 1.00 0.00 C ATOM 804 NH1 ARG A 73 -6.338 -6.837 13.435 1.00 0.00 N ATOM 805 NH2 ARG A 73 -8.284 -8.030 13.373 1.00 0.00 N ATOM 0 H ARG A 73 -2.218 -5.911 8.090 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.314 -7.676 10.298 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.972 -5.886 9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.475 -6.843 8.315 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.374 -8.592 9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.573 -7.963 11.148 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.948 -5.864 10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.766 -6.524 9.577 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.968 -8.016 10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.563 -6.377 12.958 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.386 -6.830 14.454 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.023 -8.498 12.848 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.315 -8.013 14.392 1.00 0.00 H new ATOM 819 N LEU A 74 -2.716 -9.150 7.384 1.00 0.00 N ATOM 820 CA LEU A 74 -2.733 -10.438 6.712 1.00 0.00 C ATOM 821 C LEU A 74 -1.464 -11.218 7.031 1.00 0.00 C ATOM 822 O LEU A 74 -1.555 -12.363 7.469 1.00 0.00 O ATOM 823 CB LEU A 74 -2.873 -10.200 5.201 1.00 0.00 C ATOM 824 CG LEU A 74 -4.325 -9.984 4.746 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.382 -9.315 3.371 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.064 -11.320 4.667 1.00 0.00 C ATOM 0 H LEU A 74 -2.678 -8.363 6.736 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.578 -11.032 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.280 -9.329 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.456 -11.054 4.667 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.802 -9.335 5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.422 -9.176 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.885 -8.346 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.879 -9.946 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.091 -11.149 4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.562 -11.972 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.067 -11.793 5.649 1.00 0.00 H new ATOM 838 N GLN A 75 -0.292 -10.607 6.865 1.00 0.00 N ATOM 839 CA GLN A 75 1.005 -11.212 7.152 1.00 0.00 C ATOM 840 C GLN A 75 1.116 -11.564 8.641 1.00 0.00 C ATOM 841 O GLN A 75 1.626 -12.624 9.016 1.00 0.00 O ATOM 842 CB GLN A 75 2.079 -10.185 6.761 1.00 0.00 C ATOM 843 CG GLN A 75 3.519 -10.718 6.732 1.00 0.00 C ATOM 844 CD GLN A 75 3.860 -11.535 5.488 1.00 0.00 C ATOM 845 OE1 GLN A 75 3.683 -12.749 5.457 1.00 0.00 O ATOM 846 NE2 GLN A 75 4.392 -10.904 4.455 1.00 0.00 N ATOM 0 H GLN A 75 -0.218 -9.651 6.517 1.00 0.00 H new ATOM 0 HA GLN A 75 1.132 -12.137 6.589 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.836 -9.788 5.775 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.032 -9.351 7.461 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.208 -9.876 6.800 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.684 -11.336 7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.534 -9.895 4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.660 -11.427 3.621 1.00 0.00 H new ATOM 855 N GLU A 76 0.587 -10.693 9.497 1.00 0.00 N ATOM 856 CA GLU A 76 0.424 -10.899 10.935 1.00 0.00 C ATOM 857 C GLU A 76 -0.457 -12.124 11.212 1.00 0.00 C ATOM 858 O GLU A 76 -0.125 -12.925 12.092 1.00 0.00 O ATOM 859 CB GLU A 76 -0.127 -9.600 11.540 1.00 0.00 C ATOM 860 CG GLU A 76 -0.570 -9.594 13.004 1.00 0.00 C ATOM 861 CD GLU A 76 -1.305 -8.279 13.284 1.00 0.00 C ATOM 862 OE1 GLU A 76 -0.647 -7.243 13.556 1.00 0.00 O ATOM 863 OE2 GLU A 76 -2.550 -8.250 13.146 1.00 0.00 O ATOM 0 H GLU A 76 0.244 -9.782 9.193 1.00 0.00 H new ATOM 0 HA GLU A 76 1.380 -11.118 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.638 -8.833 11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.981 -9.292 10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.223 -10.443 13.206 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.294 -9.693 13.662 1.00 0.00 H new ATOM 870 N SER A 77 -1.490 -12.345 10.399 1.00 0.00 N ATOM 871 CA SER A 77 -2.337 -13.534 10.367 1.00 0.00 C ATOM 872 C SER A 77 -1.733 -14.671 9.528 1.00 0.00 C ATOM 873 O SER A 77 -2.399 -15.682 9.290 1.00 0.00 O ATOM 874 CB SER A 77 -3.732 -13.137 9.878 1.00 0.00 C ATOM 875 OG SER A 77 -4.590 -12.909 10.983 1.00 0.00 O ATOM 0 H SER A 77 -1.774 -11.655 9.703 1.00 0.00 H new ATOM 0 HA SER A 77 -2.411 -13.934 11.378 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.669 -12.238 9.265 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.142 -13.925 9.246 1.00 0.00 H new ATOM 0 HG SER A 77 -5.479 -12.654 10.660 1.00 0.00 H new ATOM 881 N GLY A 78 -0.481 -14.556 9.080 1.00 0.00 N ATOM 882 CA GLY A 78 0.240 -15.621 8.396 1.00 0.00 C ATOM 883 C GLY A 78 -0.411 -15.968 7.067 1.00 0.00 C ATOM 884 O GLY A 78 -0.325 -17.117 6.632 1.00 0.00 O ATOM 0 H GLY A 78 0.067 -13.702 9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.272 -15.314 8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.271 -16.507 9.030 1.00 0.00 H new ATOM 888 N SER A 79 -1.101 -14.998 6.471 1.00 0.00 N ATOM 889 CA SER A 79 -1.931 -15.157 5.289 1.00 0.00 C ATOM 890 C SER A 79 -1.337 -14.342 4.132 1.00 0.00 C ATOM 891 O SER A 79 -0.690 -13.321 4.377 1.00 0.00 O ATOM 892 CB SER A 79 -3.351 -14.693 5.632 1.00 0.00 C ATOM 893 OG SER A 79 -3.866 -15.454 6.717 1.00 0.00 O ATOM 0 H SER A 79 -1.093 -14.039 6.818 1.00 0.00 H new ATOM 0 HA SER A 79 -1.966 -16.200 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.343 -13.634 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.998 -14.803 4.762 1.00 0.00 H new ATOM 0 HG SER A 79 -3.293 -15.333 7.503 1.00 0.00 H new ATOM 899 N PRO A 80 -1.547 -14.772 2.874 1.00 0.00 N ATOM 900 CA PRO A 80 -1.007 -14.086 1.713 1.00 0.00 C ATOM 901 C PRO A 80 -1.572 -12.673 1.569 1.00 0.00 C ATOM 902 O PRO A 80 -2.678 -12.366 2.010 1.00 0.00 O ATOM 903 CB PRO A 80 -1.359 -14.948 0.494 1.00 0.00 C ATOM 904 CG PRO A 80 -2.486 -15.855 0.984 1.00 0.00 C ATOM 905 CD PRO A 80 -2.234 -15.990 2.479 1.00 0.00 C ATOM 0 HA PRO A 80 0.072 -13.964 1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.680 -14.334 -0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.500 -15.528 0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.464 -15.418 0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.461 -16.825 0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.170 -16.106 3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.628 -16.869 2.696 1.00 0.00 H new ATOM 913 N ILE A 81 -0.816 -11.849 0.848 1.00 0.00 N ATOM 914 CA ILE A 81 -1.139 -10.466 0.515 1.00 0.00 C ATOM 915 C ILE A 81 -1.318 -10.313 -1.005 1.00 0.00 C ATOM 916 O ILE A 81 -1.223 -9.212 -1.549 1.00 0.00 O ATOM 917 CB ILE A 81 -0.106 -9.515 1.162 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.332 -9.760 0.671 1.00 0.00 C ATOM 919 CG2 ILE A 81 -0.185 -9.640 2.695 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.341 -8.750 1.231 1.00 0.00 C ATOM 0 H ILE A 81 0.081 -12.143 0.462 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.100 -10.176 0.939 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.361 -8.500 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.639 -10.767 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.350 -9.716 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.543 -8.970 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.187 -9.372 3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.033 -10.667 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.335 -8.978 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.056 -7.743 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.350 -8.810 2.319 1.00 0.00 H new ATOM 932 N ASP A 82 -1.605 -11.429 -1.684 1.00 0.00 N ATOM 933 CA ASP A 82 -2.023 -11.458 -3.084 1.00 0.00 C ATOM 934 C ASP A 82 -3.362 -10.723 -3.182 1.00 0.00 C ATOM 935 O ASP A 82 -4.165 -10.758 -2.243 1.00 0.00 O ATOM 936 CB ASP A 82 -2.107 -12.927 -3.563 1.00 0.00 C ATOM 937 CG ASP A 82 -3.339 -13.313 -4.397 1.00 0.00 C ATOM 938 OD1 ASP A 82 -3.594 -12.702 -5.456 1.00 0.00 O ATOM 939 OD2 ASP A 82 -3.994 -14.329 -4.058 1.00 0.00 O ATOM 0 H ASP A 82 -1.551 -12.357 -1.263 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.306 -10.957 -3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.216 -13.144 -4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.074 -13.573 -2.686 1.00 0.00 H new ATOM 944 N LEU A 83 -3.577 -10.034 -4.308 1.00 0.00 N ATOM 945 CA LEU A 83 -4.689 -9.118 -4.545 1.00 0.00 C ATOM 946 C LEU A 83 -6.022 -9.701 -4.089 1.00 0.00 C ATOM 947 O LEU A 83 -6.828 -8.997 -3.492 1.00 0.00 O ATOM 948 CB LEU A 83 -4.735 -8.743 -6.030 1.00 0.00 C ATOM 949 CG LEU A 83 -5.973 -7.945 -6.448 1.00 0.00 C ATOM 950 CD1 LEU A 83 -6.193 -6.698 -5.622 1.00 0.00 C ATOM 951 CD2 LEU A 83 -5.778 -7.420 -7.863 1.00 0.00 C ATOM 0 H LEU A 83 -2.952 -10.105 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.522 -8.221 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.845 -8.162 -6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.690 -9.656 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.811 -8.632 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.087 -6.182 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.320 -6.973 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.331 -6.039 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.658 -6.851 -8.164 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.900 -6.775 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.636 -8.258 -8.546 1.00 0.00 H new ATOM 963 N ILE A 84 -6.282 -10.969 -4.374 1.00 0.00 N ATOM 964 CA ILE A 84 -7.571 -11.560 -4.094 1.00 0.00 C ATOM 965 C ILE A 84 -7.828 -11.587 -2.583 1.00 0.00 C ATOM 966 O ILE A 84 -8.876 -11.116 -2.136 1.00 0.00 O ATOM 967 CB ILE A 84 -7.582 -12.939 -4.770 1.00 0.00 C ATOM 968 CG1 ILE A 84 -7.132 -12.886 -6.253 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.920 -13.676 -4.630 1.00 0.00 C ATOM 970 CD1 ILE A 84 -8.083 -12.188 -7.233 1.00 0.00 C ATOM 0 H ILE A 84 -5.610 -11.606 -4.801 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.397 -10.976 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.841 -13.521 -4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.166 -12.383 -6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.976 -13.908 -6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.857 -14.642 -5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.143 -13.828 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.712 -13.082 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.657 -12.217 -8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.046 -12.700 -7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.223 -11.151 -6.928 1.00 0.00 H new ATOM 982 N THR A 85 -6.869 -12.080 -1.805 1.00 0.00 N ATOM 983 CA THR A 85 -6.922 -12.145 -0.355 1.00 0.00 C ATOM 984 C THR A 85 -6.979 -10.739 0.244 1.00 0.00 C ATOM 985 O THR A 85 -7.771 -10.461 1.143 1.00 0.00 O ATOM 986 CB THR A 85 -5.717 -12.942 0.180 1.00 0.00 C ATOM 987 OG1 THR A 85 -5.431 -14.035 -0.674 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.970 -13.495 1.583 1.00 0.00 C ATOM 0 H THR A 85 -6.002 -12.459 -2.186 1.00 0.00 H new ATOM 0 HA THR A 85 -7.831 -12.665 -0.053 1.00 0.00 H new ATOM 0 HB THR A 85 -4.877 -12.248 0.217 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.460 -14.131 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.094 -14.049 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.163 -12.671 2.270 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.834 -14.160 1.562 1.00 0.00 H new ATOM 996 N LEU A 86 -6.172 -9.831 -0.301 1.00 0.00 N ATOM 997 CA LEU A 86 -6.119 -8.427 0.086 1.00 0.00 C ATOM 998 C LEU A 86 -7.488 -7.783 -0.036 1.00 0.00 C ATOM 999 O LEU A 86 -7.985 -7.176 0.916 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.117 -7.699 -0.816 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.015 -6.189 -0.545 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.469 -5.889 0.855 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.126 -5.568 -1.623 1.00 0.00 C ATOM 0 H LEU A 86 -5.517 -10.062 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.802 -8.356 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.133 -8.149 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.402 -7.853 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.013 -5.753 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.415 -4.810 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.130 -6.324 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.473 -6.319 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.040 -4.495 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.136 -6.023 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.568 -5.743 -2.604 1.00 0.00 H new ATOM 1015 N ALA A 87 -8.068 -7.896 -1.229 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.372 -7.341 -1.525 1.00 0.00 C ATOM 1017 C ALA A 87 -10.410 -7.952 -0.592 1.00 0.00 C ATOM 1018 O ALA A 87 -11.214 -7.220 -0.027 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.730 -7.594 -2.986 1.00 0.00 C ATOM 0 H ALA A 87 -7.638 -8.380 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.355 -6.263 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.713 -7.173 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.987 -7.123 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.747 -8.667 -3.176 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.376 -9.269 -0.388 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.292 -9.962 0.509 1.00 0.00 C ATOM 1027 C GLU A 88 -11.134 -9.527 1.961 1.00 0.00 C ATOM 1028 O GLU A 88 -12.109 -9.605 2.717 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.099 -11.477 0.379 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.983 -12.004 -0.753 1.00 0.00 C ATOM 1031 CD GLU A 88 -11.474 -13.303 -1.365 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -10.937 -14.180 -0.655 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -11.706 -13.490 -2.585 1.00 0.00 O ATOM 0 H GLU A 88 -9.706 -9.887 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.305 -9.693 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.053 -11.706 0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.357 -11.970 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.992 -12.162 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.051 -11.246 -1.533 1.00 0.00 H new ATOM 1040 N SER A 89 -9.947 -9.084 2.378 1.00 0.00 N ATOM 1041 CA SER A 89 -9.753 -8.556 3.713 1.00 0.00 C ATOM 1042 C SER A 89 -10.382 -7.161 3.786 1.00 0.00 C ATOM 1043 O SER A 89 -11.256 -6.939 4.622 1.00 0.00 O ATOM 1044 CB SER A 89 -8.276 -8.649 4.119 1.00 0.00 C ATOM 1045 OG SER A 89 -8.137 -8.628 5.532 1.00 0.00 O ATOM 0 H SER A 89 -9.106 -9.084 1.801 1.00 0.00 H new ATOM 0 HA SER A 89 -10.268 -9.155 4.464 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.842 -9.566 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.722 -7.818 3.683 1.00 0.00 H new ATOM 0 HG SER A 89 -8.118 -7.700 5.845 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.052 -6.264 2.849 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.649 -4.928 2.720 1.00 0.00 C ATOM 1053 C LEU A 90 -12.175 -4.985 2.633 1.00 0.00 C ATOM 1054 O LEU A 90 -12.853 -4.100 3.148 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.103 -4.233 1.457 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.843 -3.403 1.738 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -7.995 -3.263 0.475 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -9.202 -1.995 2.237 1.00 0.00 C ATOM 0 H LEU A 90 -9.343 -6.452 2.140 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.380 -4.366 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.877 -4.986 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.875 -3.586 1.041 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.281 -3.929 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.107 -2.671 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.695 -4.251 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.577 -2.766 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.288 -1.432 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.794 -1.481 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.779 -2.072 3.159 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.730 -5.993 1.969 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.159 -6.257 1.904 1.00 0.00 C ATOM 1072 C GLU A 91 -14.718 -6.649 3.260 1.00 0.00 C ATOM 1073 O GLU A 91 -15.776 -6.135 3.619 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.424 -7.372 0.884 1.00 0.00 C ATOM 1075 CG GLU A 91 -14.245 -6.939 -0.573 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.547 -6.482 -1.225 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -16.328 -5.748 -0.582 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -15.798 -6.843 -2.399 1.00 0.00 O ATOM 0 H GLU A 91 -12.177 -6.670 1.444 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.662 -5.341 1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.752 -8.205 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.441 -7.741 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.518 -6.128 -0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.831 -7.770 -1.145 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.046 -7.507 4.039 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.488 -7.756 5.413 1.00 0.00 C ATOM 1087 C ARG A 92 -14.461 -6.469 6.227 1.00 0.00 C ATOM 1088 O ARG A 92 -15.429 -6.223 6.949 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.728 -8.905 6.099 1.00 0.00 C ATOM 1090 CG ARG A 92 -14.207 -10.274 5.588 1.00 0.00 C ATOM 1091 CD ARG A 92 -14.036 -11.405 6.612 1.00 0.00 C ATOM 1092 NE ARG A 92 -12.655 -11.913 6.702 1.00 0.00 N ATOM 1093 CZ ARG A 92 -12.329 -13.183 6.992 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -13.244 -14.022 7.468 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -11.089 -13.615 6.807 1.00 0.00 N ATOM 0 H ARG A 92 -13.217 -8.027 3.750 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.522 -8.097 5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.659 -8.799 5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.872 -8.846 7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.259 -10.202 5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.656 -10.528 4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.347 -11.046 7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.701 -12.227 6.348 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.895 -11.254 6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.201 -13.702 7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.989 -14.985 7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.377 -12.982 6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.847 -14.581 7.029 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.484 -5.584 6.003 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.466 -4.292 6.678 1.00 0.00 C ATOM 1111 C GLN A 93 -14.535 -3.352 6.105 1.00 0.00 C ATOM 1112 O GLN A 93 -14.839 -2.344 6.754 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.110 -3.583 6.523 1.00 0.00 C ATOM 1114 CG GLN A 93 -10.845 -4.376 6.855 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.745 -4.940 8.265 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -11.468 -4.560 9.188 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.813 -5.851 8.468 1.00 0.00 N ATOM 0 H GLN A 93 -12.704 -5.741 5.365 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.660 -4.502 7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.028 -3.240 5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.123 -2.695 7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.767 -5.204 6.150 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -9.984 -3.730 6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.222 -6.157 7.695 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.684 -6.250 9.398 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.115 -3.647 4.932 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.115 -2.795 4.316 1.00 0.00 C ATOM 1128 C GLY A 94 -15.468 -1.507 3.836 1.00 0.00 C ATOM 1129 O GLY A 94 -15.976 -0.421 4.117 1.00 0.00 O ATOM 0 H GLY A 94 -14.897 -4.485 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.581 -3.313 3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.906 -2.571 5.032 1.00 0.00 H new ATOM 1133 N GLN A 95 -14.310 -1.635 3.184 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.408 -0.547 2.828 1.00 0.00 C ATOM 1135 C GLN A 95 -12.851 -0.683 1.408 1.00 0.00 C ATOM 1136 O GLN A 95 -12.091 0.186 0.976 1.00 0.00 O ATOM 1137 CB GLN A 95 -12.267 -0.514 3.862 1.00 0.00 C ATOM 1138 CG GLN A 95 -12.707 0.110 5.193 1.00 0.00 C ATOM 1139 CD GLN A 95 -12.775 1.624 5.056 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -13.774 2.174 4.610 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -11.704 2.325 5.379 1.00 0.00 N ATOM 0 H GLN A 95 -13.963 -2.544 2.877 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.966 0.389 2.841 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.910 -1.529 4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.429 0.053 3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.682 -0.282 5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.006 -0.162 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.879 1.854 5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.702 3.338 5.258 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.219 -1.726 0.653 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.741 -1.882 -0.721 1.00 0.00 C ATOM 1152 C LEU A 96 -13.175 -0.696 -1.593 1.00 0.00 C ATOM 1153 O LEU A 96 -12.385 -0.197 -2.393 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.159 -3.236 -1.298 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.590 -3.455 -2.714 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.057 -3.465 -2.729 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.065 -4.792 -3.259 1.00 0.00 C ATOM 0 H LEU A 96 -13.842 -2.468 0.970 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.651 -1.875 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.814 -4.034 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.247 -3.297 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.945 -2.626 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.704 -3.622 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.683 -2.510 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.692 -4.270 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.660 -4.942 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.722 -5.594 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.154 -4.801 -3.303 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.387 -0.175 -1.388 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.861 1.051 -2.034 1.00 0.00 C ATOM 1171 C ASP A 97 -13.912 2.218 -1.769 1.00 0.00 C ATOM 1172 O ASP A 97 -13.615 2.991 -2.680 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.284 1.416 -1.572 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.368 1.804 -0.094 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.021 2.945 0.282 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -16.777 0.943 0.716 1.00 0.00 O ATOM 0 H ASP A 97 -15.074 -0.597 -0.763 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.886 0.859 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.652 2.244 -2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.945 0.569 -1.755 1.00 0.00 H new ATOM 1181 N SER A 98 -13.392 2.316 -0.549 1.00 0.00 N ATOM 1182 CA SER A 98 -12.662 3.465 -0.057 1.00 0.00 C ATOM 1183 C SER A 98 -11.215 3.481 -0.536 1.00 0.00 C ATOM 1184 O SER A 98 -10.618 4.559 -0.612 1.00 0.00 O ATOM 1185 CB SER A 98 -12.781 3.484 1.465 1.00 0.00 C ATOM 1186 OG SER A 98 -14.062 3.986 1.818 1.00 0.00 O ATOM 0 H SER A 98 -13.473 1.570 0.142 1.00 0.00 H new ATOM 0 HA SER A 98 -13.097 4.378 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.645 2.480 1.867 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.999 4.108 1.897 1.00 0.00 H new ATOM 0 HG SER A 98 -14.729 3.661 1.178 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.667 2.343 -0.971 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.377 2.365 -1.653 1.00 0.00 C ATOM 1194 C VAL A 99 -9.574 2.698 -3.132 1.00 0.00 C ATOM 1195 O VAL A 99 -8.639 3.180 -3.760 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.578 1.070 -1.434 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.204 0.913 0.046 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.320 -0.189 -1.882 1.00 0.00 C ATOM 0 H VAL A 99 -11.086 1.419 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.769 3.154 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.686 1.168 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.639 -0.009 0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.596 1.761 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.112 0.875 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.696 -1.064 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.250 -0.282 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.543 -0.120 -2.947 1.00 0.00 H new ATOM 1208 N GLY A 100 -10.795 2.575 -3.655 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.169 2.942 -5.016 1.00 0.00 C ATOM 1210 C GLY A 100 -11.923 1.838 -5.760 1.00 0.00 C ATOM 1211 O GLY A 100 -12.086 1.949 -6.977 1.00 0.00 O ATOM 0 H GLY A 100 -11.579 2.202 -3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.790 3.838 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.269 3.197 -5.575 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.361 0.779 -5.075 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.968 -0.408 -5.663 1.00 0.00 C ATOM 1217 C GLY A 101 -11.900 -1.425 -6.065 1.00 0.00 C ATOM 1218 O GLY A 101 -10.701 -1.134 -6.004 1.00 0.00 O ATOM 0 H GLY A 101 -12.298 0.727 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.657 -0.861 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.555 -0.126 -6.537 1.00 0.00 H new ATOM 1222 N PHE A 102 -12.329 -2.622 -6.483 1.00 0.00 N ATOM 1223 CA PHE A 102 -11.418 -3.732 -6.768 1.00 0.00 C ATOM 1224 C PHE A 102 -10.364 -3.334 -7.801 1.00 0.00 C ATOM 1225 O PHE A 102 -9.172 -3.573 -7.601 1.00 0.00 O ATOM 1226 CB PHE A 102 -12.202 -4.979 -7.219 1.00 0.00 C ATOM 1227 CG PHE A 102 -11.490 -6.291 -6.927 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -10.301 -6.635 -7.599 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -12.005 -7.167 -5.951 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.603 -7.806 -7.256 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -11.313 -8.342 -5.617 1.00 0.00 C ATOM 1232 CZ PHE A 102 -10.089 -8.645 -6.238 1.00 0.00 C ATOM 0 H PHE A 102 -13.313 -2.846 -6.632 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.892 -3.981 -5.846 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.173 -4.985 -6.723 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.391 -4.910 -8.290 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.923 -5.995 -8.383 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.937 -6.933 -5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.691 -8.062 -7.776 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -11.723 -9.016 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 102 -9.526 -9.516 -5.935 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.784 -2.692 -8.896 1.00 0.00 N ATOM 1243 CA ALA A 103 -9.870 -2.348 -9.969 1.00 0.00 C ATOM 1244 C ALA A 103 -8.869 -1.256 -9.568 1.00 0.00 C ATOM 1245 O ALA A 103 -7.850 -1.131 -10.246 1.00 0.00 O ATOM 1246 CB ALA A 103 -10.643 -1.998 -11.242 1.00 0.00 C ATOM 0 H ALA A 103 -11.750 -2.404 -9.054 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.265 -3.229 -10.181 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.941 -1.743 -12.036 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.243 -2.854 -11.550 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.297 -1.147 -11.049 1.00 0.00 H new ATOM 1252 N TYR A 104 -9.071 -0.510 -8.470 1.00 0.00 N ATOM 1253 CA TYR A 104 -8.016 0.363 -7.958 1.00 0.00 C ATOM 1254 C TYR A 104 -6.893 -0.480 -7.362 1.00 0.00 C ATOM 1255 O TYR A 104 -5.723 -0.193 -7.594 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.524 1.365 -6.919 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.459 2.379 -6.523 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -6.520 2.089 -5.510 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -7.382 3.608 -7.201 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -5.528 3.024 -5.164 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -6.400 4.553 -6.861 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.467 4.265 -5.840 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.530 5.199 -5.511 1.00 0.00 O ATOM 0 H TYR A 104 -9.938 -0.496 -7.933 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.644 0.944 -8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.392 1.890 -7.318 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.858 0.827 -6.032 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.564 1.140 -4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.085 3.828 -7.991 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.816 2.795 -4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.358 5.499 -7.380 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.857 4.795 -4.925 1.00 0.00 H new ATOM 1273 N LEU A 105 -7.208 -1.545 -6.618 1.00 0.00 N ATOM 1274 CA LEU A 105 -6.152 -2.440 -6.155 1.00 0.00 C ATOM 1275 C LEU A 105 -5.483 -3.111 -7.349 1.00 0.00 C ATOM 1276 O LEU A 105 -4.263 -3.262 -7.347 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.674 -3.520 -5.212 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.312 -3.058 -3.899 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.776 -4.306 -3.141 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.301 -2.285 -3.044 1.00 0.00 C ATOM 0 H LEU A 105 -8.153 -1.800 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.437 -1.829 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.410 -4.114 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.845 -4.185 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.150 -2.394 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.236 -4.009 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.503 -4.849 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.919 -4.949 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.777 -1.967 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.452 -2.928 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.955 -1.409 -3.593 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.252 -3.476 -8.379 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.677 -4.015 -9.602 1.00 0.00 C ATOM 1294 C ALA A 106 -4.752 -2.997 -10.284 1.00 0.00 C ATOM 1295 O ALA A 106 -3.779 -3.406 -10.909 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.772 -4.482 -10.561 1.00 0.00 C ATOM 0 H ALA A 106 -7.270 -3.406 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.073 -4.880 -9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.316 -4.881 -11.467 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.368 -5.259 -10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.414 -3.640 -10.818 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.019 -1.694 -10.137 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.207 -0.589 -10.649 1.00 0.00 C ATOM 1304 C GLU A 107 -2.812 -0.684 -10.029 1.00 0.00 C ATOM 1305 O GLU A 107 -1.812 -0.674 -10.749 1.00 0.00 O ATOM 1306 CB GLU A 107 -4.861 0.767 -10.306 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.518 1.919 -11.258 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.567 2.088 -12.357 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -6.712 2.496 -12.041 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -5.248 1.868 -13.546 1.00 0.00 O ATOM 0 H GLU A 107 -5.845 -1.369 -9.635 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.133 -0.657 -11.734 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.943 0.637 -10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.563 1.051 -9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.436 2.846 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.544 1.736 -11.712 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.746 -0.839 -8.699 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.509 -1.070 -7.953 1.00 0.00 C ATOM 1319 C LEU A 108 -0.853 -2.345 -8.479 1.00 0.00 C ATOM 1320 O LEU A 108 0.318 -2.338 -8.849 1.00 0.00 O ATOM 1321 CB LEU A 108 -1.768 -1.225 -6.438 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.639 -0.144 -5.775 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -2.958 -0.539 -4.330 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.955 1.221 -5.800 1.00 0.00 C ATOM 0 H LEU A 108 -3.572 -0.806 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.860 -0.206 -8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.240 -2.193 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.805 -1.247 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.565 -0.067 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.575 0.233 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.497 -1.487 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.030 -0.645 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.599 1.960 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.009 1.164 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.768 1.515 -6.833 1.00 0.00 H new ATOM 1336 N SER A 109 -1.632 -3.425 -8.561 1.00 0.00 N ATOM 1337 CA SER A 109 -1.211 -4.763 -8.958 1.00 0.00 C ATOM 1338 C SER A 109 -0.651 -4.813 -10.386 1.00 0.00 C ATOM 1339 O SER A 109 -0.015 -5.804 -10.747 1.00 0.00 O ATOM 1340 CB SER A 109 -2.409 -5.713 -8.807 1.00 0.00 C ATOM 1341 OG SER A 109 -2.014 -7.024 -8.455 1.00 0.00 O ATOM 0 H SER A 109 -2.627 -3.384 -8.340 1.00 0.00 H new ATOM 0 HA SER A 109 -0.393 -5.073 -8.307 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.085 -5.323 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.966 -5.743 -9.743 1.00 0.00 H new ATOM 0 HG SER A 109 -1.918 -7.086 -7.482 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.836 -3.759 -11.189 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.228 -3.627 -12.515 1.00 0.00 C ATOM 1349 C LYS A 110 0.760 -2.460 -12.603 1.00 0.00 C ATOM 1350 O LYS A 110 1.585 -2.437 -13.518 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.328 -3.634 -13.590 1.00 0.00 C ATOM 1352 CG LYS A 110 -2.176 -2.363 -13.637 1.00 0.00 C ATOM 1353 CD LYS A 110 -3.339 -2.390 -14.638 1.00 0.00 C ATOM 1354 CE LYS A 110 -4.539 -3.241 -14.187 1.00 0.00 C ATOM 1355 NZ LYS A 110 -4.447 -4.663 -14.583 1.00 0.00 N ATOM 0 H LYS A 110 -1.420 -2.964 -10.931 1.00 0.00 H new ATOM 0 HA LYS A 110 0.403 -4.495 -12.709 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.864 -3.783 -14.565 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.984 -4.487 -13.415 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.579 -2.177 -12.641 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.527 -1.521 -13.881 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.677 -1.369 -14.813 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.974 -2.772 -15.591 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.627 -3.181 -13.102 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.451 -2.816 -14.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.403 -5.042 -14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.894 -4.744 -15.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.980 -5.204 -13.828 1.00 0.00 H new ATOM 1369 N ASN A 111 0.793 -1.554 -11.623 1.00 0.00 N ATOM 1370 CA ASN A 111 1.755 -0.453 -11.505 1.00 0.00 C ATOM 1371 C ASN A 111 3.048 -0.955 -10.840 1.00 0.00 C ATOM 1372 O ASN A 111 3.661 -0.275 -10.021 1.00 0.00 O ATOM 1373 CB ASN A 111 1.139 0.709 -10.697 1.00 0.00 C ATOM 1374 CG ASN A 111 2.078 1.909 -10.628 1.00 0.00 C ATOM 1375 OD1 ASN A 111 2.669 2.305 -11.629 1.00 0.00 O ATOM 1376 ND2 ASN A 111 2.256 2.486 -9.454 1.00 0.00 N ATOM 0 H ASN A 111 0.121 -1.567 -10.856 1.00 0.00 H new ATOM 0 HA ASN A 111 1.999 -0.084 -12.501 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.196 1.010 -11.154 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.909 0.368 -9.687 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.894 3.277 -9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.755 2.141 -8.635 1.00 0.00 H new ATOM 1383 N THR A 112 3.453 -2.184 -11.138 1.00 0.00 N ATOM 1384 CA THR A 112 4.534 -2.877 -10.467 1.00 0.00 C ATOM 1385 C THR A 112 5.455 -3.442 -11.552 1.00 0.00 C ATOM 1386 O THR A 112 5.020 -4.286 -12.348 1.00 0.00 O ATOM 1387 CB THR A 112 3.943 -3.891 -9.476 1.00 0.00 C ATOM 1388 OG1 THR A 112 4.957 -4.644 -8.850 1.00 0.00 O ATOM 1389 CG2 THR A 112 2.903 -4.849 -10.055 1.00 0.00 C ATOM 0 H THR A 112 3.021 -2.739 -11.877 1.00 0.00 H new ATOM 0 HA THR A 112 5.156 -2.230 -9.848 1.00 0.00 H new ATOM 0 HB THR A 112 3.416 -3.267 -8.754 1.00 0.00 H new ATOM 0 HG1 THR A 112 5.140 -5.449 -9.378 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.552 -5.521 -9.272 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.062 -4.278 -10.448 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.353 -5.432 -10.859 1.00 0.00 H new ATOM 1397 N PRO A 113 6.707 -2.969 -11.659 1.00 0.00 N ATOM 1398 CA PRO A 113 7.670 -3.447 -12.644 1.00 0.00 C ATOM 1399 C PRO A 113 8.301 -4.787 -12.220 1.00 0.00 C ATOM 1400 O PRO A 113 9.481 -5.007 -12.492 1.00 0.00 O ATOM 1401 CB PRO A 113 8.684 -2.308 -12.744 1.00 0.00 C ATOM 1402 CG PRO A 113 8.765 -1.803 -11.308 1.00 0.00 C ATOM 1403 CD PRO A 113 7.304 -1.888 -10.877 1.00 0.00 C ATOM 0 HA PRO A 113 7.219 -3.669 -13.611 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.651 -2.658 -13.105 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.351 -1.528 -13.429 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.413 -2.425 -10.690 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.152 -0.785 -11.252 1.00 0.00 H new ATOM 0 HD2 PRO A 113 7.225 -2.091 -9.809 1.00 0.00 H new ATOM 0 HD3 PRO A 113 6.789 -0.945 -11.061 1.00 0.00 H new ATOM 1411 N SER A 114 7.528 -5.684 -11.595 1.00 0.00 N ATOM 1412 CA SER A 114 8.006 -6.894 -10.920 1.00 0.00 C ATOM 1413 C SER A 114 8.756 -6.479 -9.640 1.00 0.00 C ATOM 1414 O SER A 114 8.808 -5.287 -9.325 1.00 0.00 O ATOM 1415 CB SER A 114 8.820 -7.797 -11.864 1.00 0.00 C ATOM 1416 OG SER A 114 8.151 -7.971 -13.108 1.00 0.00 O ATOM 0 H SER A 114 6.514 -5.582 -11.545 1.00 0.00 H new ATOM 0 HA SER A 114 7.162 -7.516 -10.623 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.803 -7.358 -12.034 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.981 -8.768 -11.395 1.00 0.00 H new ATOM 0 HG SER A 114 8.689 -8.547 -13.691 1.00 0.00 H new ATOM 1422 N ALA A 115 9.282 -7.426 -8.856 1.00 0.00 N ATOM 1423 CA ALA A 115 10.150 -7.106 -7.727 1.00 0.00 C ATOM 1424 C ALA A 115 11.467 -6.577 -8.299 1.00 0.00 C ATOM 1425 O ALA A 115 12.291 -7.360 -8.776 1.00 0.00 O ATOM 1426 CB ALA A 115 10.356 -8.339 -6.841 1.00 0.00 C ATOM 0 H ALA A 115 9.118 -8.424 -8.987 1.00 0.00 H new ATOM 0 HA ALA A 115 9.701 -6.345 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.006 -8.082 -6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.393 -8.679 -6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.816 -9.135 -7.426 1.00 0.00 H new ATOM 1432 N ALA A 116 11.629 -5.256 -8.342 1.00 0.00 N ATOM 1433 CA ALA A 116 12.714 -4.574 -9.020 1.00 0.00 C ATOM 1434 C ALA A 116 12.913 -3.228 -8.333 1.00 0.00 C ATOM 1435 O ALA A 116 12.183 -2.277 -8.620 1.00 0.00 O ATOM 1436 CB ALA A 116 12.383 -4.408 -10.512 1.00 0.00 C ATOM 0 H ALA A 116 10.981 -4.613 -7.887 1.00 0.00 H new ATOM 0 HA ALA A 116 13.637 -5.151 -8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.204 -3.895 -11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.240 -5.389 -10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.470 -3.822 -10.619 1.00 0.00 H new ATOM 1442 N ASN A 117 13.902 -3.130 -7.440 1.00 0.00 N ATOM 1443 CA ASN A 117 14.206 -1.918 -6.667 1.00 0.00 C ATOM 1444 C ASN A 117 13.003 -1.474 -5.820 1.00 0.00 C ATOM 1445 O ASN A 117 12.787 -0.281 -5.601 1.00 0.00 O ATOM 1446 CB ASN A 117 14.813 -0.813 -7.565 1.00 0.00 C ATOM 1447 CG ASN A 117 16.306 -0.994 -7.796 1.00 0.00 C ATOM 1448 OD1 ASN A 117 16.784 -2.099 -8.043 1.00 0.00 O ATOM 1449 ND2 ASN A 117 17.082 0.076 -7.754 1.00 0.00 N ATOM 0 H ASN A 117 14.528 -3.907 -7.228 1.00 0.00 H new ATOM 0 HA ASN A 117 14.986 -2.150 -5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 117 14.299 -0.810 -8.526 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.636 0.160 -7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 117 18.083 -0.013 -7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.679 0.990 -7.548 1.00 0.00 H new ATOM 1456 N ILE A 118 12.236 -2.437 -5.299 1.00 0.00 N ATOM 1457 CA ILE A 118 11.125 -2.194 -4.380 1.00 0.00 C ATOM 1458 C ILE A 118 11.615 -1.458 -3.142 1.00 0.00 C ATOM 1459 O ILE A 118 10.998 -0.497 -2.688 1.00 0.00 O ATOM 1460 CB ILE A 118 10.427 -3.534 -4.042 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.983 -3.252 -3.568 1.00 0.00 C ATOM 1462 CG2 ILE A 118 11.184 -4.465 -3.077 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.139 -4.507 -3.308 1.00 0.00 C ATOM 0 H ILE A 118 12.375 -3.425 -5.510 1.00 0.00 H new ATOM 0 HA ILE A 118 10.384 -1.551 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 118 10.416 -4.108 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.024 -2.662 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.481 -2.642 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.601 -5.371 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 118 12.150 -4.728 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.337 -3.956 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.142 -4.213 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.062 -5.090 -4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.613 -5.110 -2.534 1.00 0.00 H new ATOM 1475 N SER A 119 12.766 -1.893 -2.643 1.00 0.00 N ATOM 1476 CA SER A 119 13.418 -1.299 -1.487 1.00 0.00 C ATOM 1477 C SER A 119 13.727 0.175 -1.736 1.00 0.00 C ATOM 1478 O SER A 119 13.495 1.014 -0.868 1.00 0.00 O ATOM 1479 CB SER A 119 14.702 -2.061 -1.135 1.00 0.00 C ATOM 1480 OG SER A 119 14.549 -3.464 -1.270 1.00 0.00 O ATOM 0 H SER A 119 13.279 -2.681 -3.038 1.00 0.00 H new ATOM 0 HA SER A 119 12.733 -1.369 -0.642 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.512 -1.722 -1.781 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.992 -1.826 -0.111 1.00 0.00 H new ATOM 0 HG SER A 119 15.391 -3.909 -1.038 1.00 0.00 H new ATOM 1486 N ALA A 120 14.215 0.486 -2.937 1.00 0.00 N ATOM 1487 CA ALA A 120 14.597 1.837 -3.320 1.00 0.00 C ATOM 1488 C ALA A 120 13.359 2.715 -3.500 1.00 0.00 C ATOM 1489 O ALA A 120 13.408 3.906 -3.193 1.00 0.00 O ATOM 1490 CB ALA A 120 15.417 1.812 -4.611 1.00 0.00 C ATOM 0 H ALA A 120 14.356 -0.203 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 120 15.209 2.259 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.695 2.830 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.318 1.218 -4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.823 1.371 -5.411 1.00 0.00 H new ATOM 1496 N TYR A 121 12.255 2.146 -3.995 1.00 0.00 N ATOM 1497 CA TYR A 121 10.979 2.838 -4.075 1.00 0.00 C ATOM 1498 C TYR A 121 10.460 3.160 -2.673 1.00 0.00 C ATOM 1499 O TYR A 121 10.083 4.301 -2.406 1.00 0.00 O ATOM 1500 CB TYR A 121 9.954 2.016 -4.880 1.00 0.00 C ATOM 1501 CG TYR A 121 9.932 2.258 -6.380 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.904 3.578 -6.860 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.811 1.188 -7.292 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.704 3.846 -8.218 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.638 1.447 -8.667 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.570 2.783 -9.130 1.00 0.00 C ATOM 1507 OH TYR A 121 9.357 3.082 -10.439 1.00 0.00 O ATOM 0 H TYR A 121 12.228 1.190 -4.350 1.00 0.00 H new ATOM 0 HA TYR A 121 11.128 3.779 -4.604 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.150 0.958 -4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.960 2.225 -4.484 1.00 0.00 H new ATOM 0 HD1 TYR A 121 10.039 4.398 -6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.851 0.169 -6.936 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.653 4.867 -8.566 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.557 0.628 -9.366 1.00 0.00 H new ATOM 0 HH TYR A 121 9.285 2.253 -10.956 1.00 0.00 H new ATOM 1517 N ALA A 122 10.464 2.178 -1.769 1.00 0.00 N ATOM 1518 CA ALA A 122 10.036 2.382 -0.393 1.00 0.00 C ATOM 1519 C ALA A 122 10.918 3.407 0.326 1.00 0.00 C ATOM 1520 O ALA A 122 10.407 4.197 1.115 1.00 0.00 O ATOM 1521 CB ALA A 122 10.032 1.034 0.326 1.00 0.00 C ATOM 0 H ALA A 122 10.764 1.225 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 122 9.027 2.793 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.713 1.173 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.344 0.355 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.036 0.610 0.311 1.00 0.00 H new ATOM 1527 N ASP A 123 12.216 3.446 0.027 1.00 0.00 N ATOM 1528 CA ASP A 123 13.141 4.432 0.584 1.00 0.00 C ATOM 1529 C ASP A 123 12.739 5.862 0.216 1.00 0.00 C ATOM 1530 O ASP A 123 12.936 6.780 1.017 1.00 0.00 O ATOM 1531 CB ASP A 123 14.578 4.159 0.105 1.00 0.00 C ATOM 1532 CG ASP A 123 15.432 3.466 1.161 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.393 3.866 2.344 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.204 2.540 0.821 1.00 0.00 O ATOM 0 H ASP A 123 12.659 2.788 -0.614 1.00 0.00 H new ATOM 0 HA ASP A 123 13.096 4.336 1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.546 3.541 -0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.048 5.102 -0.174 1.00 0.00 H new ATOM 1539 N ILE A 124 12.161 6.071 -0.974 1.00 0.00 N ATOM 1540 CA ILE A 124 11.622 7.372 -1.358 1.00 0.00 C ATOM 1541 C ILE A 124 10.427 7.666 -0.456 1.00 0.00 C ATOM 1542 O ILE A 124 10.389 8.735 0.143 1.00 0.00 O ATOM 1543 CB ILE A 124 11.229 7.447 -2.851 1.00 0.00 C ATOM 1544 CG1 ILE A 124 12.428 7.157 -3.775 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.686 8.849 -3.186 1.00 0.00 C ATOM 1546 CD1 ILE A 124 12.006 6.764 -5.196 1.00 0.00 C ATOM 0 H ILE A 124 12.057 5.349 -1.687 1.00 0.00 H new ATOM 0 HA ILE A 124 12.398 8.127 -1.228 1.00 0.00 H new ATOM 0 HB ILE A 124 10.464 6.689 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.066 8.040 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 124 13.026 6.354 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.412 8.891 -4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.807 9.055 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.454 9.595 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 124 12.893 6.572 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 124 11.392 5.864 -5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 124 11.432 7.576 -5.643 1.00 0.00 H new ATOM 1558 N VAL A 125 9.461 6.746 -0.359 1.00 0.00 N ATOM 1559 CA VAL A 125 8.253 6.942 0.438 1.00 0.00 C ATOM 1560 C VAL A 125 8.622 7.310 1.875 1.00 0.00 C ATOM 1561 O VAL A 125 8.108 8.304 2.389 1.00 0.00 O ATOM 1562 CB VAL A 125 7.347 5.697 0.351 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.164 5.755 1.331 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.751 5.570 -1.059 1.00 0.00 C ATOM 0 H VAL A 125 9.498 5.844 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 125 7.680 7.777 0.035 1.00 0.00 H new ATOM 0 HB VAL A 125 7.982 4.847 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.560 4.854 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.540 5.823 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.552 6.629 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.114 4.687 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.159 6.457 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.556 5.476 -1.787 1.00 0.00 H new ATOM 1574 N ARG A 126 9.515 6.557 2.528 1.00 0.00 N ATOM 1575 CA ARG A 126 9.864 6.854 3.919 1.00 0.00 C ATOM 1576 C ARG A 126 10.476 8.236 4.057 1.00 0.00 C ATOM 1577 O ARG A 126 10.120 8.963 4.986 1.00 0.00 O ATOM 1578 CB ARG A 126 10.837 5.829 4.508 1.00 0.00 C ATOM 1579 CG ARG A 126 10.729 5.811 6.048 1.00 0.00 C ATOM 1580 CD ARG A 126 12.082 6.082 6.707 1.00 0.00 C ATOM 1581 NE ARG A 126 12.090 5.685 8.121 1.00 0.00 N ATOM 1582 CZ ARG A 126 12.420 4.470 8.572 1.00 0.00 C ATOM 1583 NH1 ARG A 126 12.607 3.454 7.740 1.00 0.00 N ATOM 1584 NH2 ARG A 126 12.587 4.262 9.869 1.00 0.00 N ATOM 0 H ARG A 126 9.999 5.755 2.125 1.00 0.00 H new ATOM 0 HA ARG A 126 8.927 6.809 4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.617 4.838 4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.857 6.073 4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.008 6.562 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.350 4.843 6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.862 5.539 6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.320 7.143 6.626 1.00 0.00 H new ATOM 0 HE ARG A 126 11.824 6.388 8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.500 3.591 6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.858 2.535 8.105 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.464 5.030 10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.839 3.334 10.208 1.00 0.00 H new ATOM 1598 N GLU A 127 11.401 8.600 3.168 1.00 0.00 N ATOM 1599 CA GLU A 127 12.033 9.908 3.228 1.00 0.00 C ATOM 1600 C GLU A 127 10.985 10.987 3.002 1.00 0.00 C ATOM 1601 O GLU A 127 10.913 11.967 3.733 1.00 0.00 O ATOM 1602 CB GLU A 127 13.135 10.027 2.175 1.00 0.00 C ATOM 1603 CG GLU A 127 14.061 11.186 2.568 1.00 0.00 C ATOM 1604 CD GLU A 127 15.192 11.467 1.582 1.00 0.00 C ATOM 1605 OE1 GLU A 127 15.478 10.649 0.678 1.00 0.00 O ATOM 1606 OE2 GLU A 127 15.822 12.542 1.742 1.00 0.00 O ATOM 0 H GLU A 127 11.724 8.007 2.403 1.00 0.00 H new ATOM 0 HA GLU A 127 12.484 10.034 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.699 9.097 2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.701 10.206 1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 127 13.462 12.090 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.495 10.970 3.544 1.00 0.00 H new ATOM 1613 N ARG A 128 10.138 10.807 1.996 1.00 0.00 N ATOM 1614 CA ARG A 128 9.066 11.750 1.719 1.00 0.00 C ATOM 1615 C ARG A 128 8.046 11.815 2.860 1.00 0.00 C ATOM 1616 O ARG A 128 7.403 12.851 3.003 1.00 0.00 O ATOM 1617 CB ARG A 128 8.407 11.460 0.370 1.00 0.00 C ATOM 1618 CG ARG A 128 9.311 11.682 -0.848 1.00 0.00 C ATOM 1619 CD ARG A 128 9.702 13.154 -1.024 1.00 0.00 C ATOM 1620 NE ARG A 128 10.476 13.325 -2.256 1.00 0.00 N ATOM 1621 CZ ARG A 128 9.982 13.485 -3.487 1.00 0.00 C ATOM 1622 NH1 ARG A 128 8.705 13.786 -3.694 1.00 0.00 N ATOM 1623 NH2 ARG A 128 10.800 13.340 -4.517 1.00 0.00 N ATOM 0 H ARG A 128 10.175 10.013 1.357 1.00 0.00 H new ATOM 0 HA ARG A 128 9.514 12.741 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 128 8.062 10.426 0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.524 12.091 0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 128 10.213 11.079 -0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 128 8.799 11.335 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.807 13.775 -1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 128 10.288 13.488 -0.168 1.00 0.00 H new ATOM 0 HE ARG A 128 11.492 13.322 -2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.073 13.901 -2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.356 13.902 -4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.782 13.112 -4.360 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.449 13.457 -5.468 1.00 0.00 H new ATOM 1637 N ALA A 129 7.920 10.792 3.707 1.00 0.00 N ATOM 1638 CA ALA A 129 7.146 10.884 4.938 1.00 0.00 C ATOM 1639 C ALA A 129 7.875 11.753 5.972 1.00 0.00 C ATOM 1640 O ALA A 129 7.228 12.486 6.711 1.00 0.00 O ATOM 1641 CB ALA A 129 6.838 9.491 5.478 1.00 0.00 C ATOM 0 H ALA A 129 8.352 9.880 3.556 1.00 0.00 H new ATOM 0 HA ALA A 129 6.194 11.369 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.259 9.577 6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.263 8.933 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.771 8.966 5.684 1.00 0.00 H new ATOM 1647 N VAL A 130 9.211 11.763 6.005 1.00 0.00 N ATOM 1648 CA VAL A 130 9.942 12.749 6.805 1.00 0.00 C ATOM 1649 C VAL A 130 9.672 14.146 6.229 1.00 0.00 C ATOM 1650 O VAL A 130 9.391 15.075 6.992 1.00 0.00 O ATOM 1651 CB VAL A 130 11.453 12.396 6.892 1.00 0.00 C ATOM 1652 CG1 VAL A 130 12.270 13.375 7.745 1.00 0.00 C ATOM 1653 CG2 VAL A 130 11.690 10.989 7.464 1.00 0.00 C ATOM 0 H VAL A 130 9.802 11.108 5.494 1.00 0.00 H new ATOM 0 HA VAL A 130 9.588 12.737 7.836 1.00 0.00 H new ATOM 0 HB VAL A 130 11.792 12.455 5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 130 13.314 13.063 7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 130 12.196 14.376 7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 130 11.881 13.383 8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 130 12.761 10.789 7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 130 11.271 10.929 8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.207 10.250 6.825 1.00 0.00 H new ATOM 1663 N VAL A 131 9.658 14.291 4.900 1.00 0.00 N ATOM 1664 CA VAL A 131 9.288 15.532 4.222 1.00 0.00 C ATOM 1665 C VAL A 131 7.814 15.890 4.494 1.00 0.00 C ATOM 1666 O VAL A 131 7.463 17.064 4.432 1.00 0.00 O ATOM 1667 CB VAL A 131 9.596 15.440 2.714 1.00 0.00 C ATOM 1668 CG1 VAL A 131 9.279 16.722 1.932 1.00 0.00 C ATOM 1669 CG2 VAL A 131 11.084 15.141 2.445 1.00 0.00 C ATOM 0 H VAL A 131 9.907 13.538 4.259 1.00 0.00 H new ATOM 0 HA VAL A 131 9.892 16.344 4.627 1.00 0.00 H new ATOM 0 HB VAL A 131 8.950 14.630 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.523 16.576 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 131 8.219 16.955 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 131 9.870 17.547 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 131 11.255 15.085 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 131 11.697 15.936 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 131 11.353 14.190 2.905 1.00 0.00 H new ATOM 1679 N ARG A 132 6.942 14.943 4.859 1.00 0.00 N ATOM 1680 CA ARG A 132 5.556 15.266 5.207 1.00 0.00 C ATOM 1681 C ARG A 132 5.497 16.264 6.350 1.00 0.00 C ATOM 1682 O ARG A 132 4.632 17.139 6.312 1.00 0.00 O ATOM 1683 CB ARG A 132 4.688 14.006 5.431 1.00 0.00 C ATOM 1684 CG ARG A 132 3.225 14.304 5.816 1.00 0.00 C ATOM 1685 CD ARG A 132 3.032 14.372 7.343 1.00 0.00 C ATOM 1686 NE ARG A 132 1.931 15.270 7.731 1.00 0.00 N ATOM 1687 CZ ARG A 132 1.238 15.245 8.877 1.00 0.00 C ATOM 1688 NH1 ARG A 132 1.426 14.296 9.788 1.00 0.00 N ATOM 1689 NH2 ARG A 132 0.339 16.190 9.120 1.00 0.00 N ATOM 0 H ARG A 132 7.171 13.951 4.921 1.00 0.00 H new ATOM 0 HA ARG A 132 5.105 15.759 4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 132 4.697 13.406 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 132 5.142 13.401 6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 132 2.918 15.250 5.369 1.00 0.00 H new ATOM 0 HG3 ARG A 132 2.577 13.531 5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 132 2.833 13.371 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 132 3.957 14.713 7.808 1.00 0.00 H new ATOM 0 HE ARG A 132 1.668 15.987 7.055 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.113 13.560 9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 132 0.883 14.303 10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 132 0.179 16.930 8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -0.192 16.177 9.991 1.00 0.00 H new ATOM 1703 N GLU A 133 6.404 16.196 7.324 1.00 0.00 N ATOM 1704 CA GLU A 133 6.389 17.211 8.392 1.00 0.00 C ATOM 1705 C GLU A 133 6.860 18.574 7.880 1.00 0.00 C ATOM 1706 O GLU A 133 6.429 19.616 8.376 1.00 0.00 O ATOM 1707 CB GLU A 133 7.120 16.749 9.661 1.00 0.00 C ATOM 1708 CG GLU A 133 8.604 17.090 9.827 1.00 0.00 C ATOM 1709 CD GLU A 133 8.983 18.447 10.420 1.00 0.00 C ATOM 1710 OE1 GLU A 133 8.111 19.264 10.784 1.00 0.00 O ATOM 1711 OE2 GLU A 133 10.209 18.651 10.609 1.00 0.00 O ATOM 0 H GLU A 133 7.131 15.485 7.402 1.00 0.00 H new ATOM 0 HA GLU A 133 5.351 17.341 8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 133 6.589 17.165 10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.022 15.665 9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.052 16.319 10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.072 17.016 8.845 1.00 0.00 H new ATOM 1718 N MET A 134 7.671 18.574 6.823 1.00 0.00 N ATOM 1719 CA MET A 134 8.215 19.772 6.197 1.00 0.00 C ATOM 1720 C MET A 134 7.145 20.520 5.392 1.00 0.00 C ATOM 1721 O MET A 134 7.387 21.654 4.979 1.00 0.00 O ATOM 1722 CB MET A 134 9.401 19.417 5.278 1.00 0.00 C ATOM 1723 CG MET A 134 10.455 18.514 5.929 1.00 0.00 C ATOM 1724 SD MET A 134 11.279 19.195 7.379 1.00 0.00 S ATOM 1725 CE MET A 134 12.241 17.739 7.864 1.00 0.00 C ATOM 0 H MET A 134 7.975 17.714 6.367 1.00 0.00 H new ATOM 0 HA MET A 134 8.564 20.425 6.997 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.018 18.923 4.385 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.881 20.339 4.951 1.00 0.00 H new ATOM 0 HG2 MET A 134 9.978 17.576 6.212 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.212 18.274 5.183 1.00 0.00 H new ATOM 0 HE1 MET A 134 12.825 17.969 8.755 1.00 0.00 H new ATOM 0 HE2 MET A 134 11.565 16.911 8.076 1.00 0.00 H new ATOM 0 HE3 MET A 134 12.913 17.460 7.052 1.00 0.00 H new ATOM 1735 N ILE A 135 5.970 19.925 5.166 1.00 0.00 N ATOM 1736 CA ILE A 135 4.904 20.475 4.337 1.00 0.00 C ATOM 1737 C ILE A 135 3.756 20.868 5.274 1.00 0.00 C ATOM 1738 O ILE A 135 2.788 20.121 5.431 1.00 0.00 O ATOM 1739 CB ILE A 135 4.514 19.484 3.209 1.00 0.00 C ATOM 1740 CG1 ILE A 135 5.723 19.114 2.312 1.00 0.00 C ATOM 1741 CG2 ILE A 135 3.413 20.091 2.309 1.00 0.00 C ATOM 1742 CD1 ILE A 135 5.513 17.803 1.543 1.00 0.00 C ATOM 0 H ILE A 135 5.731 19.019 5.570 1.00 0.00 H new ATOM 0 HA ILE A 135 5.221 21.371 3.803 1.00 0.00 H new ATOM 0 HB ILE A 135 4.151 18.582 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 135 5.904 19.921 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 135 6.616 19.028 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 135 3.153 19.381 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 135 2.530 20.307 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 135 3.779 21.013 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 135 6.391 17.595 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.361 16.987 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.637 17.894 0.900 1.00 0.00 H new ATOM 1754 N SER A 136 3.863 22.063 5.856 1.00 0.00 N ATOM 1755 CA SER A 136 2.888 22.684 6.749 1.00 0.00 C ATOM 1756 C SER A 136 2.700 21.923 8.054 1.00 0.00 C ATOM 1757 O SER A 136 1.739 21.134 8.200 1.00 0.00 O ATOM 1758 CB SER A 136 1.562 22.944 6.029 1.00 0.00 C ATOM 1759 OG SER A 136 1.793 23.783 4.915 1.00 0.00 O ATOM 1760 OXT SER A 136 3.438 22.261 8.999 1.00 0.00 O ATOM 0 H SER A 136 4.679 22.656 5.707 1.00 0.00 H new ATOM 0 HA SER A 136 3.300 23.651 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 136 1.120 22.002 5.704 1.00 0.00 H new ATOM 0 HB3 SER A 136 0.851 23.411 6.710 1.00 0.00 H new ATOM 0 HG SER A 136 0.947 23.950 4.450 1.00 0.00 H new TER 1766 SER A 136