USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 546 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 28 GLN : amide:sc= -1.34! C(o=-0.71!,f=-1.9!) USER MOD Set 1.2: A 105 SER OG : rot -96:sc= 0.63 USER MOD Set 2.1: A 62 TYR OH : rot 150:sc= -0.0071 USER MOD Set 2.2: A 100 MET CE :methyl -175:sc= -3.16! (180deg=-3.21!) USER MOD Set 2.3: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 57 SER OG : rot 180:sc= 0.0452 USER MOD Set 3.2: A 58 ASN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 3.3: A 61 THR OG1 : rot -160:sc= -1.28 USER MOD Single : A 31 SER OG : rot 112:sc= 1.17 USER MOD Single : A 36 SER OG : rot 128:sc= -0.557 USER MOD Single : A 39 SER OG : rot 109:sc= 1.31 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0409 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 54 MET CE :methyl -159:sc= -0.222 (180deg=-0.947) USER MOD Single : A 56 THR OG1 : rot 49:sc= 0.161 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 63 SER OG : rot 76:sc= 1.13 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -2:sc= 1.13 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00575 USER MOD Single : A 79 THR OG1 : rot -38:sc= 1.08 USER MOD Single : A 81 GLN : amide:sc= 1.1 K(o=1.1,f=-0.14) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -176:sc= 2.08 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 -0.554 -6.987 0.762 1.00 0.00 N ATOM 33 CA ASP A 25 0.636 -7.247 1.569 1.00 0.00 C ATOM 34 C ASP A 25 1.321 -5.932 1.914 1.00 0.00 C ATOM 35 O ASP A 25 2.519 -5.877 2.192 1.00 0.00 O ATOM 36 CB ASP A 25 1.612 -8.188 0.836 1.00 0.00 C ATOM 37 CG ASP A 25 2.008 -7.705 -0.551 1.00 0.00 C ATOM 38 OD1 ASP A 25 2.815 -6.759 -0.658 1.00 0.00 O ATOM 39 OD2 ASP A 25 1.534 -8.299 -1.548 1.00 0.00 O ATOM 0 HA ASP A 25 0.327 -7.742 2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.512 -8.305 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.155 -9.174 0.750 1.00 0.00 H new ATOM 44 N GLY A 26 0.526 -4.881 1.936 1.00 0.00 N ATOM 45 CA GLY A 26 1.032 -3.553 2.179 1.00 0.00 C ATOM 46 C GLY A 26 0.414 -2.560 1.224 1.00 0.00 C ATOM 47 O GLY A 26 -0.062 -2.938 0.155 1.00 0.00 O ATOM 0 H GLY A 26 -0.482 -4.927 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.816 -3.259 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.116 -3.546 2.067 1.00 0.00 H new ATOM 51 N VAL A 27 0.410 -1.298 1.597 1.00 0.00 N ATOM 52 CA VAL A 27 -0.140 -0.262 0.739 1.00 0.00 C ATOM 53 C VAL A 27 0.957 0.687 0.276 1.00 0.00 C ATOM 54 O VAL A 27 1.959 0.872 0.964 1.00 0.00 O ATOM 55 CB VAL A 27 -1.243 0.541 1.458 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.411 -0.362 1.828 1.00 0.00 C ATOM 57 CG2 VAL A 27 -0.680 1.226 2.692 1.00 0.00 C ATOM 0 H VAL A 27 0.780 -0.962 2.486 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.581 -0.757 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.611 1.308 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.178 0.224 2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.830 -0.804 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.063 -1.154 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.471 1.789 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.284 0.475 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.119 1.906 2.398 1.00 0.00 H new ATOM 67 N GLN A 28 0.795 1.257 -0.906 1.00 0.00 N ATOM 68 CA GLN A 28 1.729 2.257 -1.386 1.00 0.00 C ATOM 69 C GLN A 28 0.968 3.487 -1.863 1.00 0.00 C ATOM 70 O GLN A 28 -0.203 3.387 -2.235 1.00 0.00 O ATOM 71 CB GLN A 28 2.610 1.671 -2.501 1.00 0.00 C ATOM 72 CG GLN A 28 1.899 1.426 -3.831 1.00 0.00 C ATOM 73 CD GLN A 28 1.913 2.629 -4.766 1.00 0.00 C ATOM 74 OE1 GLN A 28 0.977 2.839 -5.537 1.00 0.00 O ATOM 75 NE2 GLN A 28 2.985 3.409 -4.731 1.00 0.00 N ATOM 0 H GLN A 28 0.030 1.045 -1.546 1.00 0.00 H new ATOM 0 HA GLN A 28 2.386 2.560 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.447 2.347 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.030 0.727 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.370 0.581 -4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.865 1.143 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.743 3.206 -4.079 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.052 4.212 -5.356 1.00 0.00 H new ATOM 84 N ILE A 29 1.620 4.642 -1.841 1.00 0.00 N ATOM 85 CA ILE A 29 0.986 5.868 -2.293 1.00 0.00 C ATOM 86 C ILE A 29 1.081 6.007 -3.797 1.00 0.00 C ATOM 87 O ILE A 29 2.157 6.225 -4.361 1.00 0.00 O ATOM 88 CB ILE A 29 1.550 7.131 -1.615 1.00 0.00 C ATOM 89 CG1 ILE A 29 3.065 7.040 -1.405 1.00 0.00 C ATOM 90 CG2 ILE A 29 0.832 7.368 -0.307 1.00 0.00 C ATOM 91 CD1 ILE A 29 3.655 8.257 -0.720 1.00 0.00 C ATOM 0 H ILE A 29 2.581 4.753 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.061 5.786 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 29 1.377 7.980 -2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.289 6.154 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.550 6.906 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.232 8.262 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.233 7.504 -0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.978 6.510 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.731 8.124 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.462 9.144 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.197 8.380 0.261 1.00 0.00 H new ATOM 103 N ASP A 30 -0.069 5.869 -4.427 1.00 0.00 N ATOM 104 CA ASP A 30 -0.190 5.916 -5.870 1.00 0.00 C ATOM 105 C ASP A 30 0.194 7.279 -6.400 1.00 0.00 C ATOM 106 O ASP A 30 1.123 7.413 -7.194 1.00 0.00 O ATOM 107 CB ASP A 30 -1.630 5.616 -6.263 1.00 0.00 C ATOM 108 CG ASP A 30 -1.837 5.586 -7.760 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.504 4.563 -8.391 1.00 0.00 O ATOM 110 OD2 ASP A 30 -2.358 6.578 -8.308 1.00 0.00 O ATOM 0 H ASP A 30 -0.956 5.719 -3.945 1.00 0.00 H new ATOM 0 HA ASP A 30 0.483 5.173 -6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.924 4.655 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.285 6.369 -5.826 1.00 0.00 H new ATOM 115 N SER A 31 -0.518 8.293 -5.939 1.00 0.00 N ATOM 116 CA SER A 31 -0.376 9.620 -6.513 1.00 0.00 C ATOM 117 C SER A 31 -0.732 10.700 -5.506 1.00 0.00 C ATOM 118 O SER A 31 -1.322 10.419 -4.467 1.00 0.00 O ATOM 119 CB SER A 31 -1.281 9.758 -7.743 1.00 0.00 C ATOM 120 OG SER A 31 -0.965 8.800 -8.740 1.00 0.00 O ATOM 0 H SER A 31 -1.193 8.225 -5.177 1.00 0.00 H new ATOM 0 HA SER A 31 0.667 9.747 -6.802 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.322 9.640 -7.443 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.180 10.761 -8.158 1.00 0.00 H new ATOM 0 HG SER A 31 -1.698 8.154 -8.818 1.00 0.00 H new ATOM 126 N VAL A 32 -0.377 11.932 -5.836 1.00 0.00 N ATOM 127 CA VAL A 32 -0.714 13.091 -5.023 1.00 0.00 C ATOM 128 C VAL A 32 -1.653 14.012 -5.803 1.00 0.00 C ATOM 129 O VAL A 32 -1.423 14.275 -6.986 1.00 0.00 O ATOM 130 CB VAL A 32 0.558 13.868 -4.612 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.208 15.128 -3.835 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.480 12.977 -3.803 1.00 0.00 C ATOM 0 H VAL A 32 0.154 12.157 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.211 12.743 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 32 1.077 14.174 -5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.123 15.652 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.410 15.778 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.340 14.858 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.371 13.537 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.964 12.639 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.769 12.113 -4.402 1.00 0.00 H new ATOM 142 N VAL A 33 -2.713 14.485 -5.155 1.00 0.00 N ATOM 143 CA VAL A 33 -3.701 15.323 -5.825 1.00 0.00 C ATOM 144 C VAL A 33 -3.522 16.794 -5.447 1.00 0.00 C ATOM 145 O VAL A 33 -3.830 17.201 -4.323 1.00 0.00 O ATOM 146 CB VAL A 33 -5.141 14.878 -5.486 1.00 0.00 C ATOM 147 CG1 VAL A 33 -6.160 15.725 -6.233 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.334 13.405 -5.804 1.00 0.00 C ATOM 0 H VAL A 33 -2.909 14.303 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.542 15.208 -6.897 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.298 15.023 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.166 15.393 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.041 16.771 -5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.004 15.619 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.354 13.110 -5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.153 13.235 -6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.634 12.811 -5.217 1.00 0.00 H new ATOM 158 N PRO A 34 -3.009 17.608 -6.387 1.00 0.00 N ATOM 159 CA PRO A 34 -2.805 19.044 -6.170 1.00 0.00 C ATOM 160 C PRO A 34 -4.119 19.760 -5.889 1.00 0.00 C ATOM 161 O PRO A 34 -5.040 19.742 -6.708 1.00 0.00 O ATOM 162 CB PRO A 34 -2.198 19.536 -7.489 1.00 0.00 C ATOM 163 CG PRO A 34 -1.679 18.310 -8.159 1.00 0.00 C ATOM 164 CD PRO A 34 -2.586 17.194 -7.733 1.00 0.00 C ATOM 0 HA PRO A 34 -2.170 19.241 -5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.946 20.035 -8.105 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.399 20.256 -7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.684 18.425 -9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.649 18.110 -7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.435 17.084 -8.407 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.067 16.236 -7.716 1.00 0.00 H new ATOM 172 N GLY A 35 -4.196 20.390 -4.732 1.00 0.00 N ATOM 173 CA GLY A 35 -5.429 21.021 -4.314 1.00 0.00 C ATOM 174 C GLY A 35 -5.847 20.539 -2.945 1.00 0.00 C ATOM 175 O GLY A 35 -6.649 21.173 -2.262 1.00 0.00 O ATOM 0 H GLY A 35 -3.424 20.477 -4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.301 22.103 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.216 20.803 -5.036 1.00 0.00 H new ATOM 179 N SER A 36 -5.297 19.405 -2.553 1.00 0.00 N ATOM 180 CA SER A 36 -5.529 18.838 -1.240 1.00 0.00 C ATOM 181 C SER A 36 -4.221 18.838 -0.446 1.00 0.00 C ATOM 182 O SER A 36 -3.161 19.124 -1.009 1.00 0.00 O ATOM 183 CB SER A 36 -6.076 17.426 -1.399 1.00 0.00 C ATOM 184 OG SER A 36 -7.249 17.429 -2.197 1.00 0.00 O ATOM 0 H SER A 36 -4.674 18.850 -3.140 1.00 0.00 H new ATOM 0 HA SER A 36 -6.259 19.435 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.320 16.788 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.298 17.004 -0.419 1.00 0.00 H new ATOM 0 HG SER A 36 -7.153 16.776 -2.922 1.00 0.00 H new ATOM 190 N PRO A 37 -4.268 18.551 0.867 1.00 0.00 N ATOM 191 CA PRO A 37 -3.066 18.508 1.708 1.00 0.00 C ATOM 192 C PRO A 37 -2.058 17.451 1.252 1.00 0.00 C ATOM 193 O PRO A 37 -2.335 16.672 0.342 1.00 0.00 O ATOM 194 CB PRO A 37 -3.604 18.165 3.099 1.00 0.00 C ATOM 195 CG PRO A 37 -4.951 17.577 2.863 1.00 0.00 C ATOM 196 CD PRO A 37 -5.487 18.257 1.641 1.00 0.00 C ATOM 0 HA PRO A 37 -2.521 19.451 1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.950 17.459 3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.667 19.054 3.727 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.886 16.499 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.605 17.741 3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.171 17.614 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.035 19.165 1.892 1.00 0.00 H new ATOM 204 N ALA A 38 -0.882 17.460 1.893 1.00 0.00 N ATOM 205 CA ALA A 38 0.208 16.519 1.601 1.00 0.00 C ATOM 206 C ALA A 38 0.915 16.837 0.283 1.00 0.00 C ATOM 207 O ALA A 38 1.999 16.316 0.021 1.00 0.00 O ATOM 208 CB ALA A 38 -0.283 15.078 1.616 1.00 0.00 C ATOM 0 H ALA A 38 -0.658 18.125 2.634 1.00 0.00 H new ATOM 0 HA ALA A 38 0.942 16.639 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.548 14.408 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.689 14.842 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.060 14.951 0.863 1.00 0.00 H new ATOM 214 N SER A 39 0.329 17.732 -0.511 1.00 0.00 N ATOM 215 CA SER A 39 0.867 18.092 -1.823 1.00 0.00 C ATOM 216 C SER A 39 2.179 18.882 -1.722 1.00 0.00 C ATOM 217 O SER A 39 2.733 19.310 -2.737 1.00 0.00 O ATOM 218 CB SER A 39 -0.166 18.910 -2.600 1.00 0.00 C ATOM 219 OG SER A 39 -1.361 18.174 -2.794 1.00 0.00 O ATOM 0 H SER A 39 -0.529 18.226 -0.265 1.00 0.00 H new ATOM 0 HA SER A 39 1.085 17.162 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.386 19.830 -2.059 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.247 19.199 -3.566 1.00 0.00 H new ATOM 0 HG SER A 39 -2.071 18.549 -2.232 1.00 0.00 H new ATOM 225 N LYS A 40 2.667 19.078 -0.507 1.00 0.00 N ATOM 226 CA LYS A 40 3.914 19.798 -0.294 1.00 0.00 C ATOM 227 C LYS A 40 4.682 19.167 0.869 1.00 0.00 C ATOM 228 O LYS A 40 5.580 19.776 1.451 1.00 0.00 O ATOM 229 CB LYS A 40 3.612 21.280 -0.023 1.00 0.00 C ATOM 230 CG LYS A 40 4.826 22.198 -0.108 1.00 0.00 C ATOM 231 CD LYS A 40 5.457 22.182 -1.492 1.00 0.00 C ATOM 232 CE LYS A 40 6.601 23.181 -1.590 1.00 0.00 C ATOM 233 NZ LYS A 40 7.291 23.106 -2.901 1.00 0.00 N ATOM 0 H LYS A 40 2.218 18.748 0.348 1.00 0.00 H new ATOM 0 HA LYS A 40 4.537 19.733 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.863 21.622 -0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.171 21.372 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.529 23.216 0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.566 21.890 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.826 21.181 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.701 22.417 -2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.216 24.190 -1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.318 22.991 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.063 23.802 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.681 22.151 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.613 23.312 -3.662 1.00 0.00 H new ATOM 247 N VAL A 41 4.337 17.923 1.186 1.00 0.00 N ATOM 248 CA VAL A 41 4.968 17.217 2.294 1.00 0.00 C ATOM 249 C VAL A 41 5.663 15.949 1.811 1.00 0.00 C ATOM 250 O VAL A 41 6.890 15.823 1.898 1.00 0.00 O ATOM 251 CB VAL A 41 3.948 16.842 3.393 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.610 16.040 4.502 1.00 0.00 C ATOM 253 CG2 VAL A 41 3.288 18.082 3.972 1.00 0.00 C ATOM 0 H VAL A 41 3.625 17.385 0.692 1.00 0.00 H new ATOM 0 HA VAL A 41 5.705 17.900 2.717 1.00 0.00 H new ATOM 0 HB VAL A 41 3.179 16.224 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.870 15.790 5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.029 15.123 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.407 16.632 4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.575 17.789 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.049 18.729 4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.766 18.619 3.180 1.00 0.00 H new ATOM 263 N LEU A 42 4.878 15.014 1.293 1.00 0.00 N ATOM 264 CA LEU A 42 5.401 13.716 0.901 1.00 0.00 C ATOM 265 C LEU A 42 5.691 13.640 -0.587 1.00 0.00 C ATOM 266 O LEU A 42 5.490 14.599 -1.332 1.00 0.00 O ATOM 267 CB LEU A 42 4.435 12.602 1.305 1.00 0.00 C ATOM 268 CG LEU A 42 2.944 12.910 1.138 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.537 12.912 -0.329 1.00 0.00 C ATOM 270 CD2 LEU A 42 2.114 11.909 1.917 1.00 0.00 C ATOM 0 H LEU A 42 3.877 15.132 1.135 1.00 0.00 H new ATOM 0 HA LEU A 42 6.346 13.581 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.670 11.714 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.619 12.351 2.350 1.00 0.00 H new ATOM 0 HG LEU A 42 2.760 13.909 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.473 13.134 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.108 13.671 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.738 11.933 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.056 12.138 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.315 10.904 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.374 11.965 2.974 1.00 0.00 H new ATOM 282 N THR A 43 6.171 12.485 -0.999 1.00 0.00 N ATOM 283 CA THR A 43 6.471 12.223 -2.391 1.00 0.00 C ATOM 284 C THR A 43 5.779 10.941 -2.843 1.00 0.00 C ATOM 285 O THR A 43 5.877 9.914 -2.171 1.00 0.00 O ATOM 286 CB THR A 43 7.988 12.094 -2.607 1.00 0.00 C ATOM 287 OG1 THR A 43 8.553 11.238 -1.604 1.00 0.00 O ATOM 288 CG2 THR A 43 8.667 13.456 -2.559 1.00 0.00 C ATOM 0 H THR A 43 6.364 11.700 -0.377 1.00 0.00 H new ATOM 0 HA THR A 43 6.104 13.061 -2.983 1.00 0.00 H new ATOM 0 HB THR A 43 8.154 11.662 -3.594 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.519 11.159 -1.748 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.739 13.334 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.257 14.095 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.492 13.916 -1.586 1.00 0.00 H new ATOM 296 N PRO A 44 5.072 10.983 -3.979 1.00 0.00 N ATOM 297 CA PRO A 44 4.319 9.828 -4.480 1.00 0.00 C ATOM 298 C PRO A 44 5.235 8.685 -4.919 1.00 0.00 C ATOM 299 O PRO A 44 6.422 8.897 -5.191 1.00 0.00 O ATOM 300 CB PRO A 44 3.545 10.398 -5.675 1.00 0.00 C ATOM 301 CG PRO A 44 4.350 11.568 -6.122 1.00 0.00 C ATOM 302 CD PRO A 44 4.960 12.147 -4.876 1.00 0.00 C ATOM 0 HA PRO A 44 3.677 9.393 -3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.444 9.659 -6.470 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.537 10.697 -5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.121 11.264 -6.830 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.724 12.303 -6.628 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.933 12.596 -5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.332 12.927 -4.446 1.00 0.00 H new ATOM 310 N GLY A 45 4.684 7.476 -4.974 1.00 0.00 N ATOM 311 CA GLY A 45 5.458 6.325 -5.413 1.00 0.00 C ATOM 312 C GLY A 45 6.113 5.554 -4.276 1.00 0.00 C ATOM 313 O GLY A 45 6.809 4.567 -4.515 1.00 0.00 O ATOM 0 H GLY A 45 3.717 7.271 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.806 5.651 -5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.231 6.661 -6.104 1.00 0.00 H new ATOM 317 N LEU A 46 5.901 5.989 -3.041 1.00 0.00 N ATOM 318 CA LEU A 46 6.498 5.315 -1.891 1.00 0.00 C ATOM 319 C LEU A 46 5.554 4.255 -1.327 1.00 0.00 C ATOM 320 O LEU A 46 4.376 4.205 -1.680 1.00 0.00 O ATOM 321 CB LEU A 46 6.857 6.324 -0.797 1.00 0.00 C ATOM 322 CG LEU A 46 7.875 7.390 -1.201 1.00 0.00 C ATOM 323 CD1 LEU A 46 8.129 8.343 -0.043 1.00 0.00 C ATOM 324 CD2 LEU A 46 9.175 6.746 -1.651 1.00 0.00 C ATOM 0 H LEU A 46 5.325 6.798 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 46 7.410 4.824 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.944 6.822 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.247 5.779 0.063 1.00 0.00 H new ATOM 0 HG LEU A 46 7.466 7.957 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.856 9.097 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.196 8.831 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.518 7.785 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.886 7.522 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.589 6.154 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.983 6.099 -2.507 1.00 0.00 H new ATOM 336 N VAL A 47 6.078 3.403 -0.458 1.00 0.00 N ATOM 337 CA VAL A 47 5.281 2.361 0.177 1.00 0.00 C ATOM 338 C VAL A 47 5.074 2.689 1.655 1.00 0.00 C ATOM 339 O VAL A 47 5.998 3.146 2.324 1.00 0.00 O ATOM 340 CB VAL A 47 5.963 0.980 0.047 1.00 0.00 C ATOM 341 CG1 VAL A 47 5.093 -0.121 0.639 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.297 0.679 -1.407 1.00 0.00 C ATOM 0 H VAL A 47 7.058 3.413 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 47 4.317 2.320 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 47 6.894 1.012 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.599 -1.081 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.918 0.082 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.139 -0.153 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.776 -0.298 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.381 0.676 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.973 1.443 -1.791 1.00 0.00 H new ATOM 352 N ILE A 48 3.866 2.461 2.152 1.00 0.00 N ATOM 353 CA ILE A 48 3.523 2.761 3.539 1.00 0.00 C ATOM 354 C ILE A 48 3.529 1.491 4.371 1.00 0.00 C ATOM 355 O ILE A 48 2.982 0.466 3.957 1.00 0.00 O ATOM 356 CB ILE A 48 2.129 3.417 3.641 1.00 0.00 C ATOM 357 CG1 ILE A 48 2.048 4.648 2.734 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.811 3.790 5.083 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.675 5.286 2.692 1.00 0.00 C ATOM 0 H ILE A 48 3.098 2.065 1.610 1.00 0.00 H new ATOM 0 HA ILE A 48 4.272 3.457 3.918 1.00 0.00 H new ATOM 0 HB ILE A 48 1.386 2.693 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.772 5.388 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.337 4.362 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.824 4.251 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.823 2.893 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.558 4.494 5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.696 6.151 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.051 4.563 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.391 5.604 3.695 1.00 0.00 H new ATOM 371 N GLU A 49 4.155 1.557 5.535 1.00 0.00 N ATOM 372 CA GLU A 49 4.188 0.422 6.437 1.00 0.00 C ATOM 373 C GLU A 49 3.024 0.489 7.410 1.00 0.00 C ATOM 374 O GLU A 49 2.299 -0.491 7.602 1.00 0.00 O ATOM 375 CB GLU A 49 5.495 0.385 7.227 1.00 0.00 C ATOM 376 CG GLU A 49 5.760 -0.960 7.891 1.00 0.00 C ATOM 377 CD GLU A 49 6.967 -0.949 8.807 1.00 0.00 C ATOM 378 OE1 GLU A 49 6.812 -0.597 9.998 1.00 0.00 O ATOM 379 OE2 GLU A 49 8.071 -1.314 8.351 1.00 0.00 O ATOM 0 H GLU A 49 4.646 2.384 5.875 1.00 0.00 H new ATOM 0 HA GLU A 49 4.113 -0.482 5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.323 0.621 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.471 1.161 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.881 -1.254 8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.905 -1.716 7.119 1.00 0.00 H new ATOM 386 N SER A 50 2.837 1.652 8.017 1.00 0.00 N ATOM 387 CA SER A 50 1.865 1.768 9.092 1.00 0.00 C ATOM 388 C SER A 50 1.247 3.156 9.193 1.00 0.00 C ATOM 389 O SER A 50 1.816 4.151 8.730 1.00 0.00 O ATOM 390 CB SER A 50 2.528 1.395 10.419 1.00 0.00 C ATOM 391 OG SER A 50 3.706 2.156 10.629 1.00 0.00 O ATOM 0 H SER A 50 3.335 2.513 7.789 1.00 0.00 H new ATOM 0 HA SER A 50 1.051 1.080 8.864 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.830 1.565 11.239 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.771 0.333 10.422 1.00 0.00 H new ATOM 0 HG SER A 50 4.112 1.902 11.484 1.00 0.00 H new ATOM 397 N ILE A 51 0.069 3.200 9.808 1.00 0.00 N ATOM 398 CA ILE A 51 -0.606 4.460 10.094 1.00 0.00 C ATOM 399 C ILE A 51 -0.735 4.661 11.600 1.00 0.00 C ATOM 400 O ILE A 51 -1.392 3.871 12.286 1.00 0.00 O ATOM 401 CB ILE A 51 -2.015 4.526 9.468 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.940 4.438 7.945 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.729 5.808 9.893 1.00 0.00 C ATOM 404 CD1 ILE A 51 -3.285 4.600 7.273 1.00 0.00 C ATOM 0 H ILE A 51 -0.440 2.372 10.119 1.00 0.00 H new ATOM 0 HA ILE A 51 0.005 5.248 9.653 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.587 3.672 9.830 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.261 5.207 7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.514 3.475 7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.721 5.838 9.443 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.823 5.830 10.979 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.153 6.672 9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.163 4.528 6.192 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.960 3.815 7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.703 5.574 7.526 1.00 0.00 H new ATOM 416 N ASN A 52 -0.102 5.720 12.098 1.00 0.00 N ATOM 417 CA ASN A 52 -0.170 6.101 13.509 1.00 0.00 C ATOM 418 C ASN A 52 0.489 5.051 14.403 1.00 0.00 C ATOM 419 O ASN A 52 1.645 5.205 14.800 1.00 0.00 O ATOM 420 CB ASN A 52 -1.624 6.350 13.930 1.00 0.00 C ATOM 421 CG ASN A 52 -1.749 6.862 15.354 1.00 0.00 C ATOM 422 OD1 ASN A 52 -1.861 6.083 16.295 1.00 0.00 O ATOM 423 ND2 ASN A 52 -1.743 8.176 15.515 1.00 0.00 N ATOM 0 H ASN A 52 0.476 6.342 11.533 1.00 0.00 H new ATOM 0 HA ASN A 52 0.386 7.030 13.633 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.075 7.072 13.249 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.189 5.423 13.832 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.834 8.576 16.449 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.648 8.789 14.705 1.00 0.00 H new ATOM 430 N GLY A 53 -0.240 3.991 14.707 1.00 0.00 N ATOM 431 CA GLY A 53 0.308 2.910 15.498 1.00 0.00 C ATOM 432 C GLY A 53 -0.139 1.557 14.986 1.00 0.00 C ATOM 433 O GLY A 53 0.216 0.521 15.547 1.00 0.00 O ATOM 0 H GLY A 53 -1.209 3.859 14.418 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.397 2.963 15.482 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.002 3.026 16.537 1.00 0.00 H new ATOM 437 N MET A 54 -0.908 1.568 13.908 1.00 0.00 N ATOM 438 CA MET A 54 -1.451 0.346 13.335 1.00 0.00 C ATOM 439 C MET A 54 -0.975 0.200 11.900 1.00 0.00 C ATOM 440 O MET A 54 -1.172 1.098 11.082 1.00 0.00 O ATOM 441 CB MET A 54 -2.982 0.369 13.374 1.00 0.00 C ATOM 442 CG MET A 54 -3.560 0.462 14.779 1.00 0.00 C ATOM 443 SD MET A 54 -5.363 0.532 14.795 1.00 0.00 S ATOM 444 CE MET A 54 -5.660 1.993 13.799 1.00 0.00 C ATOM 0 H MET A 54 -1.172 2.417 13.409 1.00 0.00 H new ATOM 0 HA MET A 54 -1.101 -0.503 13.923 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.338 1.216 12.788 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.362 -0.533 12.894 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.230 -0.399 15.360 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.163 1.350 15.272 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.655 2.383 14.013 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.914 2.752 14.035 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.592 1.733 12.743 1.00 0.00 H new ATOM 454 N PRO A 55 -0.321 -0.919 11.578 1.00 0.00 N ATOM 455 CA PRO A 55 0.199 -1.161 10.236 1.00 0.00 C ATOM 456 C PRO A 55 -0.900 -1.521 9.240 1.00 0.00 C ATOM 457 O PRO A 55 -1.863 -2.211 9.576 1.00 0.00 O ATOM 458 CB PRO A 55 1.156 -2.327 10.437 1.00 0.00 C ATOM 459 CG PRO A 55 0.608 -3.071 11.606 1.00 0.00 C ATOM 460 CD PRO A 55 -0.036 -2.040 12.495 1.00 0.00 C ATOM 0 HA PRO A 55 0.673 -0.275 9.813 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.200 -2.960 9.551 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.170 -1.978 10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.119 -3.818 11.286 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.399 -3.602 12.135 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.947 -2.422 12.957 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.629 -1.737 13.304 1.00 0.00 H new ATOM 468 N THR A 56 -0.751 -1.048 8.013 1.00 0.00 N ATOM 469 CA THR A 56 -1.752 -1.277 6.987 1.00 0.00 C ATOM 470 C THR A 56 -1.235 -2.224 5.908 1.00 0.00 C ATOM 471 O THR A 56 -0.550 -1.811 4.970 1.00 0.00 O ATOM 472 CB THR A 56 -2.198 0.050 6.354 1.00 0.00 C ATOM 473 OG1 THR A 56 -1.047 0.838 6.023 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.098 0.827 7.305 1.00 0.00 C ATOM 0 H THR A 56 0.054 -0.503 7.705 1.00 0.00 H new ATOM 0 HA THR A 56 -2.612 -1.744 7.467 1.00 0.00 H new ATOM 0 HB THR A 56 -2.762 -0.171 5.448 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.401 0.285 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.401 1.763 6.836 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.982 0.233 7.536 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.555 1.042 8.225 1.00 0.00 H new ATOM 482 N SER A 57 -1.552 -3.501 6.063 1.00 0.00 N ATOM 483 CA SER A 57 -1.110 -4.524 5.128 1.00 0.00 C ATOM 484 C SER A 57 -2.131 -4.736 4.010 1.00 0.00 C ATOM 485 O SER A 57 -1.842 -5.365 2.995 1.00 0.00 O ATOM 486 CB SER A 57 -0.867 -5.827 5.889 1.00 0.00 C ATOM 487 OG SER A 57 -1.905 -6.063 6.826 1.00 0.00 O ATOM 0 H SER A 57 -2.118 -3.855 6.834 1.00 0.00 H new ATOM 0 HA SER A 57 -0.182 -4.195 4.660 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.809 -6.658 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.092 -5.779 6.406 1.00 0.00 H new ATOM 0 HG SER A 57 -1.732 -6.902 7.301 1.00 0.00 H new ATOM 493 N ASN A 58 -3.329 -4.219 4.199 1.00 0.00 N ATOM 494 CA ASN A 58 -4.366 -4.334 3.183 1.00 0.00 C ATOM 495 C ASN A 58 -4.994 -2.973 2.936 1.00 0.00 C ATOM 496 O ASN A 58 -4.844 -2.059 3.752 1.00 0.00 O ATOM 497 CB ASN A 58 -5.457 -5.323 3.613 1.00 0.00 C ATOM 498 CG ASN A 58 -4.932 -6.726 3.844 1.00 0.00 C ATOM 499 OD1 ASN A 58 -4.903 -7.552 2.936 1.00 0.00 O ATOM 500 ND2 ASN A 58 -4.528 -7.011 5.069 1.00 0.00 N ATOM 0 H ASN A 58 -3.611 -3.717 5.041 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.903 -4.704 2.268 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.926 -4.962 4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.233 -5.353 2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.177 -7.944 5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.567 -6.298 5.798 1.00 0.00 H new ATOM 507 N LEU A 59 -5.715 -2.843 1.833 1.00 0.00 N ATOM 508 CA LEU A 59 -6.382 -1.598 1.499 1.00 0.00 C ATOM 509 C LEU A 59 -7.643 -1.446 2.336 1.00 0.00 C ATOM 510 O LEU A 59 -8.052 -0.336 2.678 1.00 0.00 O ATOM 511 CB LEU A 59 -6.711 -1.562 0.009 1.00 0.00 C ATOM 512 CG LEU A 59 -5.609 -0.999 -0.890 1.00 0.00 C ATOM 513 CD1 LEU A 59 -6.034 -1.047 -2.348 1.00 0.00 C ATOM 514 CD2 LEU A 59 -5.261 0.426 -0.484 1.00 0.00 C ATOM 0 H LEU A 59 -5.852 -3.590 1.152 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.717 -0.763 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.943 -2.575 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.613 -0.966 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.720 -1.618 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.238 -0.642 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.232 -2.080 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.938 -0.453 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.475 0.808 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.146 1.056 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.912 0.435 0.549 1.00 0.00 H new ATOM 526 N THR A 60 -8.250 -2.576 2.668 1.00 0.00 N ATOM 527 CA THR A 60 -9.385 -2.612 3.574 1.00 0.00 C ATOM 528 C THR A 60 -8.971 -2.168 4.972 1.00 0.00 C ATOM 529 O THR A 60 -9.660 -1.375 5.613 1.00 0.00 O ATOM 530 CB THR A 60 -9.948 -4.036 3.645 1.00 0.00 C ATOM 531 OG1 THR A 60 -8.858 -4.967 3.638 1.00 0.00 O ATOM 532 CG2 THR A 60 -10.887 -4.324 2.483 1.00 0.00 C ATOM 0 H THR A 60 -7.969 -3.491 2.317 1.00 0.00 H new ATOM 0 HA THR A 60 -10.147 -1.931 3.196 1.00 0.00 H new ATOM 0 HB THR A 60 -10.524 -4.138 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.208 -5.881 3.685 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.267 -5.342 2.566 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.721 -3.622 2.507 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.347 -4.214 1.543 1.00 0.00 H new ATOM 540 N THR A 61 -7.847 -2.696 5.436 1.00 0.00 N ATOM 541 CA THR A 61 -7.253 -2.271 6.695 1.00 0.00 C ATOM 542 C THR A 61 -6.990 -0.769 6.681 1.00 0.00 C ATOM 543 O THR A 61 -7.297 -0.065 7.643 1.00 0.00 O ATOM 544 CB THR A 61 -5.940 -3.012 6.960 1.00 0.00 C ATOM 545 OG1 THR A 61 -6.086 -4.400 6.632 1.00 0.00 O ATOM 546 CG2 THR A 61 -5.521 -2.870 8.417 1.00 0.00 C ATOM 0 H THR A 61 -7.324 -3.427 4.953 1.00 0.00 H new ATOM 0 HA THR A 61 -7.959 -2.508 7.491 1.00 0.00 H new ATOM 0 HB THR A 61 -5.166 -2.570 6.332 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.387 -4.918 7.084 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.585 -3.405 8.580 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.382 -1.815 8.655 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.295 -3.288 9.061 1.00 0.00 H new ATOM 554 N TYR A 62 -6.440 -0.284 5.568 1.00 0.00 N ATOM 555 CA TYR A 62 -6.175 1.140 5.388 1.00 0.00 C ATOM 556 C TYR A 62 -7.485 1.924 5.468 1.00 0.00 C ATOM 557 O TYR A 62 -7.565 2.981 6.094 1.00 0.00 O ATOM 558 CB TYR A 62 -5.504 1.371 4.031 1.00 0.00 C ATOM 559 CG TYR A 62 -4.729 2.664 3.933 1.00 0.00 C ATOM 560 CD1 TYR A 62 -5.361 3.869 3.658 1.00 0.00 C ATOM 561 CD2 TYR A 62 -3.355 2.673 4.112 1.00 0.00 C ATOM 562 CE1 TYR A 62 -4.638 5.046 3.564 1.00 0.00 C ATOM 563 CE2 TYR A 62 -2.627 3.841 4.020 1.00 0.00 C ATOM 564 CZ TYR A 62 -3.269 5.025 3.748 1.00 0.00 C ATOM 565 OH TYR A 62 -2.540 6.187 3.658 1.00 0.00 O ATOM 0 H TYR A 62 -6.168 -0.863 4.773 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.508 1.487 6.177 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.829 0.540 3.826 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.268 1.359 3.254 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.431 3.889 3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.844 1.747 4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -5.142 5.976 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.556 3.825 4.161 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.755 6.127 4.242 1.00 0.00 H new ATOM 575 N SER A 63 -8.508 1.373 4.834 1.00 0.00 N ATOM 576 CA SER A 63 -9.836 1.945 4.829 1.00 0.00 C ATOM 577 C SER A 63 -10.425 2.012 6.235 1.00 0.00 C ATOM 578 O SER A 63 -10.962 3.039 6.643 1.00 0.00 O ATOM 579 CB SER A 63 -10.712 1.094 3.931 1.00 0.00 C ATOM 580 OG SER A 63 -10.331 1.217 2.567 1.00 0.00 O ATOM 0 H SER A 63 -8.434 0.505 4.303 1.00 0.00 H new ATOM 0 HA SER A 63 -9.785 2.968 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.643 0.050 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.754 1.393 4.048 1.00 0.00 H new ATOM 0 HG SER A 63 -9.515 0.698 2.407 1.00 0.00 H new ATOM 586 N ALA A 64 -10.317 0.911 6.968 1.00 0.00 N ATOM 587 CA ALA A 64 -10.824 0.840 8.334 1.00 0.00 C ATOM 588 C ALA A 64 -10.112 1.846 9.229 1.00 0.00 C ATOM 589 O ALA A 64 -10.706 2.405 10.152 1.00 0.00 O ATOM 590 CB ALA A 64 -10.666 -0.569 8.886 1.00 0.00 C ATOM 0 H ALA A 64 -9.881 0.050 6.638 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.885 1.090 8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.049 -0.605 9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.224 -1.268 8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.611 -0.844 8.884 1.00 0.00 H new ATOM 596 N ALA A 65 -8.840 2.080 8.940 1.00 0.00 N ATOM 597 CA ALA A 65 -8.066 3.074 9.669 1.00 0.00 C ATOM 598 C ALA A 65 -8.584 4.470 9.353 1.00 0.00 C ATOM 599 O ALA A 65 -8.831 5.270 10.256 1.00 0.00 O ATOM 600 CB ALA A 65 -6.586 2.956 9.328 1.00 0.00 C ATOM 0 H ALA A 65 -8.323 1.596 8.207 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.180 2.894 10.738 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.024 3.707 9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.228 1.962 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.445 3.114 8.259 1.00 0.00 H new ATOM 606 N LEU A 66 -8.784 4.735 8.065 1.00 0.00 N ATOM 607 CA LEU A 66 -9.309 6.001 7.597 1.00 0.00 C ATOM 608 C LEU A 66 -10.680 6.283 8.211 1.00 0.00 C ATOM 609 O LEU A 66 -10.995 7.419 8.566 1.00 0.00 O ATOM 610 CB LEU A 66 -9.405 5.946 6.076 1.00 0.00 C ATOM 611 CG LEU A 66 -8.136 6.342 5.323 1.00 0.00 C ATOM 612 CD1 LEU A 66 -8.360 6.256 3.822 1.00 0.00 C ATOM 613 CD2 LEU A 66 -7.698 7.746 5.715 1.00 0.00 C ATOM 0 H LEU A 66 -8.583 4.070 7.318 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.644 6.809 7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.679 4.933 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.216 6.601 5.756 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.343 5.645 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.446 6.541 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.628 5.234 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.167 6.930 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.793 8.011 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.489 8.455 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.498 7.779 6.786 1.00 0.00 H new ATOM 625 N LYS A 67 -11.483 5.233 8.340 1.00 0.00 N ATOM 626 CA LYS A 67 -12.800 5.317 8.971 1.00 0.00 C ATOM 627 C LYS A 67 -12.733 5.962 10.357 1.00 0.00 C ATOM 628 O LYS A 67 -13.630 6.717 10.742 1.00 0.00 O ATOM 629 CB LYS A 67 -13.419 3.922 9.097 1.00 0.00 C ATOM 630 CG LYS A 67 -14.032 3.388 7.815 1.00 0.00 C ATOM 631 CD LYS A 67 -15.333 4.100 7.488 1.00 0.00 C ATOM 632 CE LYS A 67 -16.075 3.409 6.354 1.00 0.00 C ATOM 633 NZ LYS A 67 -17.428 3.988 6.139 1.00 0.00 N ATOM 0 H LYS A 67 -11.242 4.298 8.011 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.420 5.945 8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.651 3.226 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.188 3.948 9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.328 3.515 6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.215 2.318 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.966 4.129 8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.124 5.133 7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.494 3.494 5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.167 2.346 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.899 3.489 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.992 3.884 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.340 4.997 5.902 1.00 0.00 H new ATOM 647 N THR A 68 -11.677 5.663 11.104 1.00 0.00 N ATOM 648 CA THR A 68 -11.553 6.163 12.464 1.00 0.00 C ATOM 649 C THR A 68 -10.884 7.537 12.508 1.00 0.00 C ATOM 650 O THR A 68 -10.925 8.222 13.533 1.00 0.00 O ATOM 651 CB THR A 68 -10.786 5.176 13.369 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.495 4.868 12.819 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.573 3.887 13.563 1.00 0.00 C ATOM 0 H THR A 68 -10.900 5.081 10.792 1.00 0.00 H new ATOM 0 HA THR A 68 -12.569 6.264 12.847 1.00 0.00 H new ATOM 0 HB THR A 68 -10.654 5.660 14.337 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.385 5.332 11.963 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.009 3.210 14.205 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.533 4.113 14.028 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.741 3.414 12.595 1.00 0.00 H new ATOM 661 N ILE A 69 -10.274 7.939 11.402 1.00 0.00 N ATOM 662 CA ILE A 69 -9.588 9.222 11.342 1.00 0.00 C ATOM 663 C ILE A 69 -10.589 10.345 11.083 1.00 0.00 C ATOM 664 O ILE A 69 -11.553 10.175 10.338 1.00 0.00 O ATOM 665 CB ILE A 69 -8.489 9.242 10.254 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.568 8.030 10.399 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.674 10.527 10.339 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.906 7.926 11.757 1.00 0.00 C ATOM 0 H ILE A 69 -10.240 7.398 10.538 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.105 9.376 12.307 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.976 9.199 9.280 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.144 7.123 10.215 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.796 8.078 9.631 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.906 10.523 9.566 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.331 11.385 10.193 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.202 10.594 11.319 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.268 7.042 11.784 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.302 8.815 11.936 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.671 7.846 12.529 1.00 0.00 H new ATOM 680 N SER A 70 -10.371 11.482 11.720 1.00 0.00 N ATOM 681 CA SER A 70 -11.265 12.617 11.578 1.00 0.00 C ATOM 682 C SER A 70 -10.617 13.714 10.734 1.00 0.00 C ATOM 683 O SER A 70 -9.399 13.723 10.546 1.00 0.00 O ATOM 684 CB SER A 70 -11.636 13.147 12.961 1.00 0.00 C ATOM 685 OG SER A 70 -12.106 12.094 13.783 1.00 0.00 O ATOM 0 H SER A 70 -9.580 11.644 12.343 1.00 0.00 H new ATOM 0 HA SER A 70 -12.171 12.295 11.065 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.768 13.617 13.422 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.403 13.916 12.869 1.00 0.00 H new ATOM 0 HG SER A 70 -12.338 12.448 14.667 1.00 0.00 H new ATOM 691 N VAL A 71 -11.427 14.632 10.226 1.00 0.00 N ATOM 692 CA VAL A 71 -10.923 15.715 9.390 1.00 0.00 C ATOM 693 C VAL A 71 -10.272 16.796 10.246 1.00 0.00 C ATOM 694 O VAL A 71 -10.878 17.310 11.188 1.00 0.00 O ATOM 695 CB VAL A 71 -12.046 16.336 8.537 1.00 0.00 C ATOM 696 CG1 VAL A 71 -11.515 17.487 7.704 1.00 0.00 C ATOM 697 CG2 VAL A 71 -12.693 15.284 7.646 1.00 0.00 C ATOM 0 H VAL A 71 -12.436 14.650 10.377 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.176 15.289 8.720 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.807 16.726 9.213 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.325 17.910 7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.108 18.255 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.730 17.124 7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.483 15.745 7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.942 14.858 6.981 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.118 14.494 8.265 1.00 0.00 H new ATOM 707 N GLY A 72 -9.036 17.136 9.914 1.00 0.00 N ATOM 708 CA GLY A 72 -8.293 18.092 10.707 1.00 0.00 C ATOM 709 C GLY A 72 -7.446 17.398 11.748 1.00 0.00 C ATOM 710 O GLY A 72 -7.076 17.986 12.766 1.00 0.00 O ATOM 0 H GLY A 72 -8.533 16.766 9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.656 18.691 10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.984 18.778 11.196 1.00 0.00 H new ATOM 714 N GLU A 73 -7.155 16.135 11.488 1.00 0.00 N ATOM 715 CA GLU A 73 -6.365 15.316 12.386 1.00 0.00 C ATOM 716 C GLU A 73 -5.001 15.045 11.772 1.00 0.00 C ATOM 717 O GLU A 73 -4.853 15.031 10.548 1.00 0.00 O ATOM 718 CB GLU A 73 -7.101 14.006 12.650 1.00 0.00 C ATOM 719 CG GLU A 73 -6.511 13.165 13.765 1.00 0.00 C ATOM 720 CD GLU A 73 -6.369 13.940 15.056 1.00 0.00 C ATOM 721 OE1 GLU A 73 -7.397 14.380 15.610 1.00 0.00 O ATOM 722 OE2 GLU A 73 -5.224 14.126 15.514 1.00 0.00 O ATOM 0 H GLU A 73 -7.462 15.649 10.645 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.220 15.840 13.331 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.140 14.230 12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.108 13.417 11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.145 12.294 13.934 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.534 12.793 13.458 1.00 0.00 H new ATOM 729 N VAL A 74 -4.013 14.840 12.621 1.00 0.00 N ATOM 730 CA VAL A 74 -2.661 14.566 12.168 1.00 0.00 C ATOM 731 C VAL A 74 -2.293 13.126 12.489 1.00 0.00 C ATOM 732 O VAL A 74 -2.309 12.712 13.650 1.00 0.00 O ATOM 733 CB VAL A 74 -1.632 15.522 12.816 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.231 15.242 12.298 1.00 0.00 C ATOM 735 CG2 VAL A 74 -2.007 16.971 12.558 1.00 0.00 C ATOM 0 H VAL A 74 -4.121 14.858 13.635 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.634 14.726 11.090 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.643 15.346 13.892 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.474 15.927 12.768 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.047 14.215 12.536 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.208 15.383 11.217 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.270 17.626 13.023 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.030 17.155 11.484 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.991 17.173 12.982 1.00 0.00 H new ATOM 745 N ILE A 75 -1.976 12.358 11.460 1.00 0.00 N ATOM 746 CA ILE A 75 -1.634 10.956 11.637 1.00 0.00 C ATOM 747 C ILE A 75 -0.198 10.685 11.206 1.00 0.00 C ATOM 748 O ILE A 75 0.359 11.403 10.376 1.00 0.00 O ATOM 749 CB ILE A 75 -2.594 10.031 10.856 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.675 10.459 9.389 1.00 0.00 C ATOM 751 CG2 ILE A 75 -3.973 10.043 11.501 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.539 9.556 8.534 1.00 0.00 C ATOM 0 H ILE A 75 -1.948 12.681 10.493 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.734 10.737 12.700 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.206 9.013 10.890 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.067 11.475 9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.668 10.484 8.972 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.642 9.388 10.943 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.896 9.692 12.530 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.370 11.058 11.493 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.547 9.924 7.508 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.137 8.543 8.553 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.557 9.549 8.925 1.00 0.00 H new ATOM 764 N ASN A 76 0.389 9.650 11.778 1.00 0.00 N ATOM 765 CA ASN A 76 1.760 9.277 11.469 1.00 0.00 C ATOM 766 C ASN A 76 1.780 8.277 10.323 1.00 0.00 C ATOM 767 O ASN A 76 1.014 7.316 10.321 1.00 0.00 O ATOM 768 CB ASN A 76 2.424 8.664 12.707 1.00 0.00 C ATOM 769 CG ASN A 76 3.866 8.255 12.470 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.592 8.893 11.712 1.00 0.00 O ATOM 771 ND2 ASN A 76 4.291 7.184 13.121 1.00 0.00 N ATOM 0 H ASN A 76 -0.065 9.048 12.464 1.00 0.00 H new ATOM 0 HA ASN A 76 2.313 10.168 11.172 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.387 9.383 13.525 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.853 7.791 13.023 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.252 6.862 13.002 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.658 6.680 13.742 1.00 0.00 H new ATOM 778 N ILE A 77 2.639 8.511 9.349 1.00 0.00 N ATOM 779 CA ILE A 77 2.775 7.613 8.212 1.00 0.00 C ATOM 780 C ILE A 77 4.239 7.271 8.005 1.00 0.00 C ATOM 781 O ILE A 77 5.045 8.121 7.615 1.00 0.00 O ATOM 782 CB ILE A 77 2.196 8.233 6.921 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.719 8.585 7.108 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.363 7.267 5.756 1.00 0.00 C ATOM 785 CD1 ILE A 77 0.087 9.245 5.900 1.00 0.00 C ATOM 0 H ILE A 77 3.258 9.321 9.321 1.00 0.00 H new ATOM 0 HA ILE A 77 2.208 6.708 8.430 1.00 0.00 H new ATOM 0 HB ILE A 77 2.743 9.150 6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.166 7.676 7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.620 9.250 7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.952 7.714 4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.422 7.056 5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.835 6.339 5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.960 9.463 6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.613 10.173 5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.152 8.574 5.043 1.00 0.00 H new ATOM 797 N THR A 78 4.582 6.031 8.295 1.00 0.00 N ATOM 798 CA THR A 78 5.939 5.557 8.118 1.00 0.00 C ATOM 799 C THR A 78 6.073 4.855 6.772 1.00 0.00 C ATOM 800 O THR A 78 5.506 3.780 6.565 1.00 0.00 O ATOM 801 CB THR A 78 6.334 4.594 9.253 1.00 0.00 C ATOM 802 OG1 THR A 78 6.050 5.208 10.517 1.00 0.00 O ATOM 803 CG2 THR A 78 7.810 4.235 9.183 1.00 0.00 C ATOM 0 H THR A 78 3.935 5.331 8.656 1.00 0.00 H new ATOM 0 HA THR A 78 6.610 6.416 8.145 1.00 0.00 H new ATOM 0 HB THR A 78 5.755 3.677 9.142 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.299 4.596 11.241 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.058 3.554 9.997 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.022 3.752 8.229 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.409 5.141 9.272 1.00 0.00 H new ATOM 811 N THR A 79 6.796 5.474 5.852 1.00 0.00 N ATOM 812 CA THR A 79 6.973 4.906 4.532 1.00 0.00 C ATOM 813 C THR A 79 8.387 4.367 4.353 1.00 0.00 C ATOM 814 O THR A 79 9.243 4.541 5.221 1.00 0.00 O ATOM 815 CB THR A 79 6.667 5.927 3.412 1.00 0.00 C ATOM 816 OG1 THR A 79 7.565 7.038 3.485 1.00 0.00 O ATOM 817 CG2 THR A 79 5.234 6.421 3.503 1.00 0.00 C ATOM 0 H THR A 79 7.267 6.367 5.998 1.00 0.00 H new ATOM 0 HA THR A 79 6.260 4.086 4.450 1.00 0.00 H new ATOM 0 HB THR A 79 6.802 5.421 2.456 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.733 7.261 4.424 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.045 7.138 2.704 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.551 5.577 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.076 6.903 4.468 1.00 0.00 H new ATOM 825 N ASP A 80 8.608 3.739 3.205 1.00 0.00 N ATOM 826 CA ASP A 80 9.868 3.070 2.867 1.00 0.00 C ATOM 827 C ASP A 80 11.110 3.901 3.212 1.00 0.00 C ATOM 828 O ASP A 80 12.078 3.375 3.763 1.00 0.00 O ATOM 829 CB ASP A 80 9.858 2.737 1.371 1.00 0.00 C ATOM 830 CG ASP A 80 11.149 2.106 0.891 1.00 0.00 C ATOM 831 OD1 ASP A 80 11.364 0.904 1.141 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.942 2.806 0.231 1.00 0.00 O ATOM 0 H ASP A 80 7.907 3.676 2.466 1.00 0.00 H new ATOM 0 HA ASP A 80 9.933 2.165 3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.030 2.059 1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.674 3.649 0.804 1.00 0.00 H new ATOM 837 N GLN A 81 11.080 5.194 2.904 1.00 0.00 N ATOM 838 CA GLN A 81 12.242 6.054 3.128 1.00 0.00 C ATOM 839 C GLN A 81 11.862 7.358 3.817 1.00 0.00 C ATOM 840 O GLN A 81 12.638 8.316 3.812 1.00 0.00 O ATOM 841 CB GLN A 81 12.927 6.368 1.799 1.00 0.00 C ATOM 842 CG GLN A 81 13.805 5.246 1.281 1.00 0.00 C ATOM 843 CD GLN A 81 14.099 5.392 -0.195 1.00 0.00 C ATOM 844 OE1 GLN A 81 15.067 6.040 -0.594 1.00 0.00 O ATOM 845 NE2 GLN A 81 13.265 4.779 -1.013 1.00 0.00 N ATOM 0 H GLN A 81 10.272 5.668 2.502 1.00 0.00 H new ATOM 0 HA GLN A 81 12.924 5.511 3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.165 6.594 1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 81 13.534 7.266 1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.742 5.232 1.838 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.314 4.289 1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.476 4.253 -0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.409 4.831 -2.021 1.00 0.00 H new ATOM 854 N GLY A 82 10.692 7.396 4.425 1.00 0.00 N ATOM 855 CA GLY A 82 10.246 8.630 5.043 1.00 0.00 C ATOM 856 C GLY A 82 9.216 8.417 6.129 1.00 0.00 C ATOM 857 O GLY A 82 8.169 7.819 5.893 1.00 0.00 O ATOM 0 H GLY A 82 10.048 6.609 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.107 9.149 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.826 9.281 4.276 1.00 0.00 H new ATOM 861 N THR A 83 9.507 8.909 7.318 1.00 0.00 N ATOM 862 CA THR A 83 8.562 8.854 8.415 1.00 0.00 C ATOM 863 C THR A 83 8.034 10.256 8.702 1.00 0.00 C ATOM 864 O THR A 83 8.751 11.105 9.238 1.00 0.00 O ATOM 865 CB THR A 83 9.214 8.270 9.681 1.00 0.00 C ATOM 866 OG1 THR A 83 9.854 7.024 9.364 1.00 0.00 O ATOM 867 CG2 THR A 83 8.181 8.049 10.777 1.00 0.00 C ATOM 0 H THR A 83 10.396 9.353 7.549 1.00 0.00 H new ATOM 0 HA THR A 83 7.737 8.201 8.128 1.00 0.00 H new ATOM 0 HB THR A 83 9.953 8.983 10.045 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.270 6.655 10.171 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.670 7.636 11.659 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.713 9.000 11.033 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.420 7.353 10.424 1.00 0.00 H new ATOM 875 N PHE A 84 6.790 10.499 8.325 1.00 0.00 N ATOM 876 CA PHE A 84 6.206 11.827 8.433 1.00 0.00 C ATOM 877 C PHE A 84 4.825 11.780 9.056 1.00 0.00 C ATOM 878 O PHE A 84 4.293 10.716 9.358 1.00 0.00 O ATOM 879 CB PHE A 84 6.130 12.496 7.056 1.00 0.00 C ATOM 880 CG PHE A 84 5.562 11.614 5.977 1.00 0.00 C ATOM 881 CD1 PHE A 84 4.193 11.510 5.792 1.00 0.00 C ATOM 882 CD2 PHE A 84 6.402 10.888 5.145 1.00 0.00 C ATOM 883 CE1 PHE A 84 3.673 10.699 4.804 1.00 0.00 C ATOM 884 CE2 PHE A 84 5.886 10.076 4.155 1.00 0.00 C ATOM 885 CZ PHE A 84 4.520 9.981 3.984 1.00 0.00 C ATOM 0 H PHE A 84 6.163 9.793 7.940 1.00 0.00 H new ATOM 0 HA PHE A 84 6.854 12.415 9.083 1.00 0.00 H new ATOM 0 HB2 PHE A 84 5.520 13.396 7.134 1.00 0.00 H new ATOM 0 HB3 PHE A 84 7.130 12.814 6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.525 12.070 6.429 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.472 10.959 5.273 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.604 10.626 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.551 9.515 3.515 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.114 9.346 3.210 1.00 0.00 H new ATOM 895 N HIS A 85 4.258 12.955 9.234 1.00 0.00 N ATOM 896 CA HIS A 85 2.926 13.096 9.796 1.00 0.00 C ATOM 897 C HIS A 85 2.043 13.899 8.851 1.00 0.00 C ATOM 898 O HIS A 85 2.413 14.992 8.416 1.00 0.00 O ATOM 899 CB HIS A 85 2.976 13.747 11.186 1.00 0.00 C ATOM 900 CG HIS A 85 3.970 14.863 11.317 1.00 0.00 C ATOM 901 ND1 HIS A 85 3.673 16.181 11.051 1.00 0.00 N ATOM 902 CD2 HIS A 85 5.272 14.842 11.689 1.00 0.00 C ATOM 903 CE1 HIS A 85 4.749 16.920 11.254 1.00 0.00 C ATOM 904 NE2 HIS A 85 5.732 16.131 11.642 1.00 0.00 N ATOM 0 H HIS A 85 4.705 13.840 8.994 1.00 0.00 H new ATOM 0 HA HIS A 85 2.496 12.102 9.915 1.00 0.00 H new ATOM 0 HB2 HIS A 85 1.985 14.130 11.429 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.211 12.980 11.924 1.00 0.00 H new ATOM 0 HD2 HIS A 85 5.842 13.969 11.971 1.00 0.00 H new ATOM 0 HE1 HIS A 85 4.813 17.990 11.124 1.00 0.00 H new ATOM 0 HE2 HIS A 85 6.680 16.432 11.870 1.00 0.00 H new ATOM 913 N LEU A 86 0.885 13.349 8.532 1.00 0.00 N ATOM 914 CA LEU A 86 -0.011 13.958 7.562 1.00 0.00 C ATOM 915 C LEU A 86 -1.212 14.579 8.262 1.00 0.00 C ATOM 916 O LEU A 86 -1.713 14.049 9.254 1.00 0.00 O ATOM 917 CB LEU A 86 -0.462 12.906 6.541 1.00 0.00 C ATOM 918 CG LEU A 86 -1.134 13.439 5.269 1.00 0.00 C ATOM 919 CD1 LEU A 86 -0.847 12.512 4.100 1.00 0.00 C ATOM 920 CD2 LEU A 86 -2.636 13.565 5.458 1.00 0.00 C ATOM 0 H LEU A 86 0.541 12.477 8.933 1.00 0.00 H new ATOM 0 HA LEU A 86 0.521 14.752 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.408 12.318 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.155 12.225 7.035 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.725 14.428 5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.328 12.899 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.229 12.453 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.236 11.518 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.087 13.945 4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.057 12.587 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.843 14.254 6.277 1.00 0.00 H new ATOM 932 N LYS A 87 -1.657 15.705 7.734 1.00 0.00 N ATOM 933 CA LYS A 87 -2.818 16.406 8.263 1.00 0.00 C ATOM 934 C LYS A 87 -3.995 16.224 7.313 1.00 0.00 C ATOM 935 O LYS A 87 -3.942 16.663 6.162 1.00 0.00 O ATOM 936 CB LYS A 87 -2.507 17.895 8.444 1.00 0.00 C ATOM 937 CG LYS A 87 -3.683 18.712 8.961 1.00 0.00 C ATOM 938 CD LYS A 87 -3.349 20.194 9.017 1.00 0.00 C ATOM 939 CE LYS A 87 -4.543 21.018 9.478 1.00 0.00 C ATOM 940 NZ LYS A 87 -4.245 22.474 9.498 1.00 0.00 N ATOM 0 H LYS A 87 -1.227 16.160 6.929 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.074 15.990 9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.672 18.000 9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.183 18.307 7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.547 18.557 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.961 18.363 9.955 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.511 20.354 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.030 20.534 8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.389 20.831 8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.841 20.696 10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.086 22.996 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.455 22.658 10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.986 22.788 8.541 1.00 0.00 H new ATOM 954 N THR A 88 -5.040 15.570 7.790 1.00 0.00 N ATOM 955 CA THR A 88 -6.186 15.240 6.953 1.00 0.00 C ATOM 956 C THR A 88 -6.951 16.489 6.517 1.00 0.00 C ATOM 957 O THR A 88 -7.185 17.407 7.311 1.00 0.00 O ATOM 958 CB THR A 88 -7.125 14.270 7.683 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.534 14.823 8.939 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.426 12.940 7.920 1.00 0.00 C ATOM 0 H THR A 88 -5.121 15.255 8.757 1.00 0.00 H new ATOM 0 HA THR A 88 -5.803 14.756 6.054 1.00 0.00 H new ATOM 0 HB THR A 88 -8.004 14.109 7.059 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.086 14.171 9.419 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.103 12.261 8.439 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.138 12.505 6.963 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.536 13.100 8.528 1.00 0.00 H new ATOM 968 N GLY A 89 -7.326 16.518 5.246 1.00 0.00 N ATOM 969 CA GLY A 89 -8.040 17.648 4.706 1.00 0.00 C ATOM 970 C GLY A 89 -9.507 17.353 4.507 1.00 0.00 C ATOM 971 O GLY A 89 -10.018 16.349 5.010 1.00 0.00 O ATOM 0 H GLY A 89 -7.144 15.770 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.930 18.500 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.596 17.934 3.753 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.860 11.988 6.663 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.486 12.488 6.682 1.00 0.00 C ATOM 1103 C ALA A 98 -9.829 12.310 5.316 1.00 0.00 C ATOM 1104 O ALA A 98 -9.448 11.205 4.934 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.672 11.805 7.768 1.00 0.00 C ATOM 0 HA ALA A 98 -10.517 13.554 6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.654 12.195 7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.127 11.998 8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.650 10.731 7.585 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.694 13.400 4.577 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.214 13.312 3.208 1.00 0.00 C ATOM 1113 C TYR A 99 -7.700 13.405 3.170 1.00 0.00 C ATOM 1114 O TYR A 99 -7.116 14.428 3.520 1.00 0.00 O ATOM 1115 CB TYR A 99 -9.841 14.398 2.336 1.00 0.00 C ATOM 1116 CG TYR A 99 -9.657 14.162 0.853 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -10.215 13.049 0.234 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -8.932 15.052 0.074 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -10.052 12.832 -1.121 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -8.766 14.840 -1.281 1.00 0.00 C ATOM 1121 CZ TYR A 99 -9.327 13.732 -1.873 1.00 0.00 C ATOM 1122 OH TYR A 99 -9.163 13.521 -3.224 1.00 0.00 O ATOM 0 H TYR A 99 -9.907 14.345 4.897 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.513 12.344 2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.907 14.460 2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.405 15.361 2.599 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.784 12.344 0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -8.491 15.924 0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -10.490 11.962 -1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -8.198 15.542 -1.874 1.00 0.00 H new ATOM 0 HH TYR A 99 -8.628 14.248 -3.606 1.00 0.00 H new ATOM 1132 N MET A 100 -7.077 12.317 2.756 1.00 0.00 N ATOM 1133 CA MET A 100 -5.626 12.228 2.696 1.00 0.00 C ATOM 1134 C MET A 100 -5.051 13.102 1.581 1.00 0.00 C ATOM 1135 O MET A 100 -3.931 13.596 1.685 1.00 0.00 O ATOM 1136 CB MET A 100 -5.223 10.769 2.501 1.00 0.00 C ATOM 1137 CG MET A 100 -5.834 10.135 1.261 1.00 0.00 C ATOM 1138 SD MET A 100 -5.819 8.333 1.313 1.00 0.00 S ATOM 1139 CE MET A 100 -4.099 8.025 1.681 1.00 0.00 C ATOM 0 H MET A 100 -7.559 11.471 2.452 1.00 0.00 H new ATOM 0 HA MET A 100 -5.215 12.600 3.635 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.137 10.705 2.435 1.00 0.00 H new ATOM 0 HB3 MET A 100 -5.523 10.196 3.378 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.862 10.482 1.151 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.288 10.472 0.380 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.909 6.952 1.658 1.00 0.00 H new ATOM 0 HE2 MET A 100 -3.474 8.520 0.938 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.863 8.414 2.671 1.00 0.00 H new ATOM 1149 N GLY A 101 -5.824 13.286 0.516 1.00 0.00 N ATOM 1150 CA GLY A 101 -5.399 14.143 -0.578 1.00 0.00 C ATOM 1151 C GLY A 101 -4.557 13.414 -1.606 1.00 0.00 C ATOM 1152 O GLY A 101 -4.169 13.985 -2.623 1.00 0.00 O ATOM 0 H GLY A 101 -6.740 12.856 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.278 14.562 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.828 14.980 -0.176 1.00 0.00 H new ATOM 1156 N ILE A 102 -4.285 12.148 -1.347 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.446 11.348 -2.221 1.00 0.00 C ATOM 1158 C ILE A 102 -4.100 10.005 -2.513 1.00 0.00 C ATOM 1159 O ILE A 102 -4.968 9.546 -1.770 1.00 0.00 O ATOM 1160 CB ILE A 102 -2.058 11.117 -1.589 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.197 10.393 -0.250 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -1.325 12.439 -1.399 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -0.880 10.160 0.452 1.00 0.00 C ATOM 0 H ILE A 102 -4.637 11.648 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.323 11.896 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.474 10.494 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.849 10.975 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.686 9.433 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.349 12.253 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.195 12.925 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.907 13.087 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.057 9.642 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.233 9.552 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.398 11.118 0.649 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.685 9.389 -3.605 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.187 8.082 -3.993 1.00 0.00 C ATOM 1177 C ARG A 103 -3.311 6.999 -3.386 1.00 0.00 C ATOM 1178 O ARG A 103 -2.103 7.183 -3.249 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.204 7.946 -5.519 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.275 8.785 -6.201 1.00 0.00 C ATOM 1181 CD ARG A 103 -5.076 8.837 -7.713 1.00 0.00 C ATOM 1182 NE ARG A 103 -4.940 7.506 -8.312 1.00 0.00 N ATOM 1183 CZ ARG A 103 -5.659 7.078 -9.353 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -6.556 7.877 -9.914 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -5.473 5.856 -9.844 1.00 0.00 N ATOM 0 H ARG A 103 -2.993 9.778 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.207 7.972 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.228 8.233 -5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.357 6.899 -5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.258 8.371 -5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.256 9.797 -5.797 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.922 9.351 -8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.186 9.425 -7.938 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.254 6.868 -7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.697 8.820 -9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.105 7.549 -10.709 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.777 5.239 -9.425 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.026 5.536 -10.639 1.00 0.00 H new ATOM 1199 N THR A 104 -3.914 5.883 -3.016 1.00 0.00 N ATOM 1200 CA THR A 104 -3.172 4.765 -2.455 1.00 0.00 C ATOM 1201 C THR A 104 -3.594 3.449 -3.094 1.00 0.00 C ATOM 1202 O THR A 104 -4.730 3.306 -3.548 1.00 0.00 O ATOM 1203 CB THR A 104 -3.363 4.673 -0.928 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.718 4.993 -0.573 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.404 5.600 -0.201 1.00 0.00 C ATOM 0 H THR A 104 -4.919 5.726 -3.094 1.00 0.00 H new ATOM 0 HA THR A 104 -2.118 4.945 -2.669 1.00 0.00 H new ATOM 0 HB THR A 104 -3.147 3.649 -0.624 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.825 4.929 0.399 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.561 5.515 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.378 5.323 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.585 6.628 -0.514 1.00 0.00 H new ATOM 1213 N SER A 105 -2.671 2.502 -3.141 1.00 0.00 N ATOM 1214 CA SER A 105 -2.953 1.183 -3.678 1.00 0.00 C ATOM 1215 C SER A 105 -2.301 0.118 -2.801 1.00 0.00 C ATOM 1216 O SER A 105 -1.727 0.431 -1.758 1.00 0.00 O ATOM 1217 CB SER A 105 -2.437 1.068 -5.113 1.00 0.00 C ATOM 1218 OG SER A 105 -1.023 1.081 -5.148 1.00 0.00 O ATOM 0 H SER A 105 -1.714 2.625 -2.811 1.00 0.00 H new ATOM 0 HA SER A 105 -4.032 1.031 -3.685 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.807 0.147 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.826 1.893 -5.710 1.00 0.00 H new ATOM 0 HG SER A 105 -0.709 1.990 -5.334 1.00 0.00 H new ATOM 1224 N ASN A 106 -2.373 -1.128 -3.234 1.00 0.00 N ATOM 1225 CA ASN A 106 -1.799 -2.238 -2.485 1.00 0.00 C ATOM 1226 C ASN A 106 -0.533 -2.753 -3.162 1.00 0.00 C ATOM 1227 O ASN A 106 -0.019 -3.810 -2.804 1.00 0.00 O ATOM 1228 CB ASN A 106 -2.823 -3.369 -2.338 1.00 0.00 C ATOM 1229 CG ASN A 106 -3.510 -3.722 -3.645 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -2.959 -3.527 -4.726 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -4.727 -4.239 -3.554 1.00 0.00 N ATOM 0 H ASN A 106 -2.826 -1.400 -4.106 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.532 -1.877 -1.492 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.324 -4.255 -1.946 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.576 -3.077 -1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.239 -4.490 -4.400 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.151 -4.386 -2.638 1.00 0.00 H new