USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 739 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 7 SER OG : rot 94:sc= 0.133 USER MOD Set 1.2: A 25 GLN : amide:sc= -3.49! C(o=-3.1!,f=-8.3!) USER MOD Set 1.3: A 87 THR OG1 : rot -18:sc= 0.224 USER MOD Set 2.1: A 79 ASN : amide:sc= -2.31! C(o=-3.1!,f=-5.9!) USER MOD Set 2.2: A 84 SER OG : rot 132:sc= -0.759 USER MOD Set 3.1: A 57 LYS NZ :NH3+ 162:sc= -0.0175 (180deg=-0.288) USER MOD Set 3.2: A 59 HIS :FLIP no HE2:sc= -0.0868 F(o=-0.94,f=-0.1) USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -150:sc= -1.19 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0807 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 0.546 (180deg=0.00378) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.625 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -170:sc= -0.731 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.19) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0208 K(o=-0.021,f=-1.8!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0465 X(o=-0.046,f=-0.17) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 145:sc= -0.644 (180deg=-4.09!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 93 MET CE :methyl -123:sc= -0.738 (180deg=-1.52) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 5 9.859 11.239 -4.427 1.00 0.00 N ATOM 66 CA PRO A 5 9.992 9.758 -4.630 1.00 0.00 C ATOM 67 C PRO A 5 9.097 8.936 -3.684 1.00 0.00 C ATOM 68 O PRO A 5 8.632 9.447 -2.665 1.00 0.00 O ATOM 69 CB PRO A 5 11.475 9.499 -4.330 1.00 0.00 C ATOM 70 CG PRO A 5 12.183 10.770 -4.696 1.00 0.00 C ATOM 71 CD PRO A 5 11.170 11.913 -4.525 1.00 0.00 C ATOM 0 HA PRO A 5 9.679 9.457 -5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.626 9.254 -3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.852 8.658 -4.911 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.052 10.926 -4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.547 10.727 -5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.382 12.500 -3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.200 12.599 -5.371 1.00 0.00 H new ATOM 79 N PRO A 6 8.870 7.672 -3.985 1.00 0.00 N ATOM 80 CA PRO A 6 8.042 6.773 -3.124 1.00 0.00 C ATOM 81 C PRO A 6 8.260 6.998 -1.628 1.00 0.00 C ATOM 82 O PRO A 6 9.223 7.643 -1.214 1.00 0.00 O ATOM 83 CB PRO A 6 8.515 5.386 -3.556 1.00 0.00 C ATOM 84 CG PRO A 6 8.736 5.541 -5.016 1.00 0.00 C ATOM 85 CD PRO A 6 9.350 6.942 -5.180 1.00 0.00 C ATOM 0 HA PRO A 6 6.973 6.942 -3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.429 5.094 -3.039 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.769 4.621 -3.341 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.405 4.770 -5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.800 5.453 -5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.439 6.901 -5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.019 7.420 -6.102 1.00 0.00 H new ATOM 93 N SER A 7 7.329 6.478 -0.834 1.00 0.00 N ATOM 94 CA SER A 7 7.375 6.628 0.616 1.00 0.00 C ATOM 95 C SER A 7 6.565 5.525 1.273 1.00 0.00 C ATOM 96 O SER A 7 5.584 5.789 1.971 1.00 0.00 O ATOM 97 CB SER A 7 6.765 7.967 0.978 1.00 0.00 C ATOM 98 OG SER A 7 7.611 9.008 0.512 1.00 0.00 O ATOM 0 H SER A 7 6.528 5.945 -1.174 1.00 0.00 H new ATOM 0 HA SER A 7 8.408 6.570 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.774 8.061 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.638 8.042 2.058 1.00 0.00 H new ATOM 0 HG SER A 7 7.314 9.299 -0.375 1.00 0.00 H new ATOM 104 N ILE A 8 6.948 4.281 1.005 1.00 0.00 N ATOM 105 CA ILE A 8 6.222 3.130 1.530 1.00 0.00 C ATOM 106 C ILE A 8 7.195 2.125 2.137 1.00 0.00 C ATOM 107 O ILE A 8 8.176 1.738 1.501 1.00 0.00 O ATOM 108 CB ILE A 8 5.471 2.448 0.379 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.650 3.480 -0.427 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.550 1.359 0.932 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.347 3.849 0.273 1.00 0.00 C ATOM 0 H ILE A 8 7.755 4.044 0.428 1.00 0.00 H new ATOM 0 HA ILE A 8 5.526 3.469 2.297 1.00 0.00 H new ATOM 0 HB ILE A 8 6.201 1.994 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.247 4.379 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.428 3.075 -1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.020 0.879 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.144 0.616 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.829 1.805 1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.804 4.577 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.737 2.955 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.568 4.280 1.250 1.00 0.00 H new ATOM 123 N HIS A 9 6.908 1.686 3.358 1.00 0.00 N ATOM 124 CA HIS A 9 7.756 0.698 4.035 1.00 0.00 C ATOM 125 C HIS A 9 6.919 -0.549 4.318 1.00 0.00 C ATOM 126 O HIS A 9 5.987 -0.500 5.116 1.00 0.00 O ATOM 127 CB HIS A 9 8.284 1.305 5.359 1.00 0.00 C ATOM 128 CG HIS A 9 9.750 0.994 5.540 1.00 0.00 C ATOM 129 ND1 HIS A 9 10.739 1.774 4.960 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.413 -0.001 6.224 1.00 0.00 C ATOM 131 CE1 HIS A 9 11.926 1.245 5.299 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.787 0.162 6.068 1.00 0.00 N ATOM 0 H HIS A 9 6.101 1.993 3.900 1.00 0.00 H new ATOM 0 HA HIS A 9 8.606 0.428 3.408 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.134 2.385 5.356 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.716 0.907 6.200 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.940 -0.787 6.794 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.879 1.647 4.987 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.528 -0.421 6.457 1.00 0.00 H new ATOM 140 N GLY A 10 7.260 -1.662 3.667 1.00 0.00 N ATOM 141 CA GLY A 10 6.517 -2.914 3.857 1.00 0.00 C ATOM 142 C GLY A 10 7.192 -3.810 4.882 1.00 0.00 C ATOM 143 O GLY A 10 8.416 -3.944 4.892 1.00 0.00 O ATOM 0 H GLY A 10 8.037 -1.725 3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.501 -2.690 4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.440 -3.441 2.906 1.00 0.00 H new ATOM 147 N GLN A 11 6.384 -4.434 5.742 1.00 0.00 N ATOM 148 CA GLN A 11 6.925 -5.328 6.771 1.00 0.00 C ATOM 149 C GLN A 11 5.893 -6.403 7.153 1.00 0.00 C ATOM 150 O GLN A 11 4.694 -6.139 7.150 1.00 0.00 O ATOM 151 CB GLN A 11 7.308 -4.516 8.026 1.00 0.00 C ATOM 152 CG GLN A 11 8.716 -3.920 7.876 1.00 0.00 C ATOM 153 CD GLN A 11 9.146 -3.268 9.185 1.00 0.00 C ATOM 154 OE1 GLN A 11 9.247 -2.044 9.267 1.00 0.00 O ATOM 155 NE2 GLN A 11 9.409 -4.018 10.221 1.00 0.00 N ATOM 0 H GLN A 11 5.368 -4.340 5.749 1.00 0.00 H new ATOM 0 HA GLN A 11 7.812 -5.817 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.584 -3.717 8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.271 -5.158 8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.424 -4.702 7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.725 -3.183 7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.325 -5.032 10.151 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.699 -3.590 11.100 1.00 0.00 H new ATOM 164 N PRO A 12 6.331 -7.600 7.495 1.00 0.00 N ATOM 165 CA PRO A 12 5.405 -8.706 7.894 1.00 0.00 C ATOM 166 C PRO A 12 4.821 -8.482 9.291 1.00 0.00 C ATOM 167 O PRO A 12 5.376 -8.948 10.287 1.00 0.00 O ATOM 168 CB PRO A 12 6.304 -9.950 7.861 1.00 0.00 C ATOM 169 CG PRO A 12 7.671 -9.433 8.169 1.00 0.00 C ATOM 170 CD PRO A 12 7.744 -8.037 7.546 1.00 0.00 C ATOM 0 HA PRO A 12 4.539 -8.785 7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.985 -10.690 8.595 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.274 -10.436 6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.838 -9.389 9.245 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.438 -10.086 7.753 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.350 -7.361 8.149 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.190 -8.065 6.552 1.00 0.00 H new ATOM 178 N SER A 13 3.702 -7.767 9.357 1.00 0.00 N ATOM 179 CA SER A 13 3.061 -7.492 10.639 1.00 0.00 C ATOM 180 C SER A 13 2.493 -8.772 11.246 1.00 0.00 C ATOM 181 O SER A 13 2.983 -9.261 12.264 1.00 0.00 O ATOM 182 CB SER A 13 1.930 -6.484 10.450 1.00 0.00 C ATOM 183 OG SER A 13 1.105 -6.484 11.607 1.00 0.00 O ATOM 0 H SER A 13 3.224 -7.371 8.547 1.00 0.00 H new ATOM 0 HA SER A 13 3.813 -7.083 11.314 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.339 -5.488 10.281 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.341 -6.741 9.569 1.00 0.00 H new ATOM 0 HG SER A 13 0.378 -5.837 11.491 1.00 0.00 H new ATOM 189 N SER A 14 1.455 -9.311 10.606 1.00 0.00 N ATOM 190 CA SER A 14 0.808 -10.537 11.076 1.00 0.00 C ATOM 191 C SER A 14 0.518 -11.463 9.898 1.00 0.00 C ATOM 192 O SER A 14 0.409 -11.007 8.758 1.00 0.00 O ATOM 193 CB SER A 14 -0.501 -10.197 11.787 1.00 0.00 C ATOM 194 OG SER A 14 -0.246 -9.248 12.815 1.00 0.00 O ATOM 0 H SER A 14 1.044 -8.918 9.760 1.00 0.00 H new ATOM 0 HA SER A 14 1.479 -11.040 11.772 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.221 -9.794 11.075 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.943 -11.099 12.211 1.00 0.00 H new ATOM 0 HG SER A 14 -1.085 -9.027 13.272 1.00 0.00 H new ATOM 200 N GLY A 15 0.390 -12.758 10.183 1.00 0.00 N ATOM 201 CA GLY A 15 0.102 -13.754 9.144 1.00 0.00 C ATOM 202 C GLY A 15 0.714 -13.373 7.798 1.00 0.00 C ATOM 203 O GLY A 15 1.934 -13.293 7.660 1.00 0.00 O ATOM 0 H GLY A 15 0.480 -13.145 11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.488 -14.724 9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.977 -13.861 9.034 1.00 0.00 H new ATOM 207 N LYS A 16 -0.152 -13.139 6.810 1.00 0.00 N ATOM 208 CA LYS A 16 0.297 -12.763 5.472 1.00 0.00 C ATOM 209 C LYS A 16 0.247 -11.247 5.304 1.00 0.00 C ATOM 210 O LYS A 16 0.701 -10.706 4.295 1.00 0.00 O ATOM 211 CB LYS A 16 -0.619 -13.397 4.422 1.00 0.00 C ATOM 212 CG LYS A 16 -0.897 -14.856 4.776 1.00 0.00 C ATOM 213 CD LYS A 16 -1.604 -15.528 3.599 1.00 0.00 C ATOM 214 CE LYS A 16 -2.028 -16.948 3.986 1.00 0.00 C ATOM 215 NZ LYS A 16 -2.288 -17.742 2.751 1.00 0.00 N ATOM 0 H LYS A 16 -1.165 -13.203 6.913 1.00 0.00 H new ATOM 0 HA LYS A 16 1.321 -13.114 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.557 -12.844 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.153 -13.336 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.036 -15.373 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.517 -14.915 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.478 -14.945 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.940 -15.560 2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.247 -17.423 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.924 -16.915 4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.576 -18.706 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.047 -17.291 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.422 -17.783 2.176 1.00 0.00 H new ATOM 229 N SER A 17 -0.336 -10.578 6.289 1.00 0.00 N ATOM 230 CA SER A 17 -0.486 -9.130 6.247 1.00 0.00 C ATOM 231 C SER A 17 0.865 -8.413 6.191 1.00 0.00 C ATOM 232 O SER A 17 1.799 -8.751 6.919 1.00 0.00 O ATOM 233 CB SER A 17 -1.271 -8.674 7.488 1.00 0.00 C ATOM 234 OG SER A 17 -0.684 -7.496 8.020 1.00 0.00 O ATOM 0 H SER A 17 -0.714 -11.016 7.129 1.00 0.00 H new ATOM 0 HA SER A 17 -1.027 -8.869 5.337 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.311 -8.486 7.223 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.271 -9.463 8.240 1.00 0.00 H new ATOM 0 HG SER A 17 -0.828 -7.467 8.989 1.00 0.00 H new ATOM 240 N PHE A 18 0.939 -7.397 5.324 1.00 0.00 N ATOM 241 CA PHE A 18 2.153 -6.589 5.164 1.00 0.00 C ATOM 242 C PHE A 18 1.836 -5.129 5.491 1.00 0.00 C ATOM 243 O PHE A 18 1.008 -4.507 4.824 1.00 0.00 O ATOM 244 CB PHE A 18 2.675 -6.709 3.701 1.00 0.00 C ATOM 245 CG PHE A 18 4.175 -6.987 3.677 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.699 -8.087 4.366 1.00 0.00 C ATOM 247 CD2 PHE A 18 5.034 -6.139 2.965 1.00 0.00 C ATOM 248 CE1 PHE A 18 6.078 -8.335 4.342 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.408 -6.388 2.942 1.00 0.00 C ATOM 250 CZ PHE A 18 6.931 -7.483 3.630 1.00 0.00 C ATOM 0 H PHE A 18 0.168 -7.114 4.719 1.00 0.00 H new ATOM 0 HA PHE A 18 2.925 -6.950 5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.145 -7.510 3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.464 -5.787 3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.041 -8.744 4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.632 -5.290 2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.483 -9.184 4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.066 -5.732 2.391 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.994 -7.674 3.613 1.00 0.00 H new ATOM 260 N LYS A 19 2.493 -4.577 6.508 1.00 0.00 N ATOM 261 CA LYS A 19 2.247 -3.187 6.873 1.00 0.00 C ATOM 262 C LYS A 19 3.010 -2.264 5.947 1.00 0.00 C ATOM 263 O LYS A 19 4.230 -2.149 6.044 1.00 0.00 O ATOM 264 CB LYS A 19 2.692 -2.888 8.309 1.00 0.00 C ATOM 265 CG LYS A 19 2.310 -1.438 8.660 1.00 0.00 C ATOM 266 CD LYS A 19 2.758 -1.102 10.078 1.00 0.00 C ATOM 267 CE LYS A 19 2.339 0.331 10.414 1.00 0.00 C ATOM 268 NZ LYS A 19 2.753 0.654 11.809 1.00 0.00 N ATOM 0 H LYS A 19 3.185 -5.059 7.082 1.00 0.00 H new ATOM 0 HA LYS A 19 1.173 -3.021 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.216 -3.581 9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.769 -3.028 8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.774 -0.751 7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.232 -1.307 8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.312 -1.799 10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.839 -1.207 10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.800 1.029 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.260 0.440 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.469 1.628 12.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.294 -0.006 12.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.786 0.566 11.894 1.00 0.00 H new ATOM 282 N LEU A 20 2.284 -1.567 5.086 1.00 0.00 N ATOM 283 CA LEU A 20 2.907 -0.609 4.188 1.00 0.00 C ATOM 284 C LEU A 20 2.678 0.772 4.784 1.00 0.00 C ATOM 285 O LEU A 20 1.662 1.410 4.523 1.00 0.00 O ATOM 286 CB LEU A 20 2.284 -0.695 2.795 1.00 0.00 C ATOM 287 CG LEU A 20 2.026 -2.153 2.415 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.339 -2.168 1.052 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.351 -2.939 2.344 1.00 0.00 C ATOM 0 H LEU A 20 1.272 -1.646 4.991 1.00 0.00 H new ATOM 0 HA LEU A 20 3.972 -0.816 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.349 -0.136 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.948 -0.234 2.064 1.00 0.00 H new ATOM 0 HG LEU A 20 1.396 -2.627 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.142 -3.198 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.398 -1.622 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.986 -1.695 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.146 -3.974 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.001 -2.489 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.844 -2.910 3.316 1.00 0.00 H new ATOM 301 N SER A 21 3.608 1.202 5.624 1.00 0.00 N ATOM 302 CA SER A 21 3.479 2.479 6.293 1.00 0.00 C ATOM 303 C SER A 21 3.650 3.634 5.320 1.00 0.00 C ATOM 304 O SER A 21 4.690 3.765 4.673 1.00 0.00 O ATOM 305 CB SER A 21 4.514 2.565 7.416 1.00 0.00 C ATOM 306 OG SER A 21 4.612 1.297 8.051 1.00 0.00 O ATOM 0 H SER A 21 4.456 0.684 5.855 1.00 0.00 H new ATOM 0 HA SER A 21 2.476 2.554 6.713 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.483 2.861 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.223 3.327 8.139 1.00 0.00 H new ATOM 0 HG SER A 21 5.275 1.342 8.771 1.00 0.00 H new ATOM 312 N ILE A 22 2.626 4.487 5.233 1.00 0.00 N ATOM 313 CA ILE A 22 2.688 5.642 4.354 1.00 0.00 C ATOM 314 C ILE A 22 3.443 6.739 5.100 1.00 0.00 C ATOM 315 O ILE A 22 2.976 7.218 6.132 1.00 0.00 O ATOM 316 CB ILE A 22 1.266 6.146 3.991 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.225 5.016 4.073 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.257 6.706 2.568 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.509 3.916 3.047 1.00 0.00 C ATOM 0 H ILE A 22 1.756 4.396 5.757 1.00 0.00 H new ATOM 0 HA ILE A 22 3.190 5.373 3.425 1.00 0.00 H new ATOM 0 HB ILE A 22 1.004 6.922 4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.228 4.589 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.771 5.425 3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.255 7.057 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.960 7.536 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.550 5.924 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.246 3.134 3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.480 4.339 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.495 3.490 3.233 1.00 0.00 H new ATOM 331 N THR A 23 4.615 7.125 4.603 1.00 0.00 N ATOM 332 CA THR A 23 5.403 8.156 5.286 1.00 0.00 C ATOM 333 C THR A 23 5.120 9.530 4.691 1.00 0.00 C ATOM 334 O THR A 23 5.401 9.783 3.522 1.00 0.00 O ATOM 335 CB THR A 23 6.899 7.809 5.201 1.00 0.00 C ATOM 336 OG1 THR A 23 7.172 6.715 6.064 1.00 0.00 O ATOM 337 CG2 THR A 23 7.749 9.012 5.623 1.00 0.00 C ATOM 0 H THR A 23 5.035 6.753 3.751 1.00 0.00 H new ATOM 0 HA THR A 23 5.115 8.187 6.337 1.00 0.00 H new ATOM 0 HB THR A 23 7.146 7.546 4.173 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.124 6.488 6.013 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.805 8.752 5.558 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.541 9.854 4.963 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.506 9.287 6.649 1.00 0.00 H new ATOM 345 N LYS A 24 4.555 10.413 5.519 1.00 0.00 N ATOM 346 CA LYS A 24 4.222 11.768 5.090 1.00 0.00 C ATOM 347 C LYS A 24 5.313 12.318 4.185 1.00 0.00 C ATOM 348 O LYS A 24 6.398 12.676 4.648 1.00 0.00 O ATOM 349 CB LYS A 24 4.054 12.684 6.318 1.00 0.00 C ATOM 350 CG LYS A 24 3.404 11.899 7.474 1.00 0.00 C ATOM 351 CD LYS A 24 4.491 11.244 8.348 1.00 0.00 C ATOM 352 CE LYS A 24 3.905 10.040 9.084 1.00 0.00 C ATOM 353 NZ LYS A 24 2.848 10.500 10.030 1.00 0.00 N ATOM 0 H LYS A 24 4.320 10.210 6.491 1.00 0.00 H new ATOM 0 HA LYS A 24 3.284 11.737 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.024 13.070 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.437 13.544 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.794 12.568 8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.738 11.134 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.330 10.930 7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.879 11.967 9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.485 9.333 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.691 9.515 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.593 9.722 10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.205 11.303 10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.007 10.796 9.494 1.00 0.00 H new ATOM 367 N GLN A 25 5.021 12.382 2.892 1.00 0.00 N ATOM 368 CA GLN A 25 5.985 12.891 1.917 1.00 0.00 C ATOM 369 C GLN A 25 5.433 14.134 1.241 1.00 0.00 C ATOM 370 O GLN A 25 4.609 14.038 0.333 1.00 0.00 O ATOM 371 CB GLN A 25 6.270 11.808 0.866 1.00 0.00 C ATOM 372 CG GLN A 25 4.981 11.031 0.567 1.00 0.00 C ATOM 373 CD GLN A 25 5.130 10.251 -0.731 1.00 0.00 C ATOM 374 OE1 GLN A 25 6.184 10.289 -1.363 1.00 0.00 O ATOM 375 NE2 GLN A 25 4.126 9.542 -1.173 1.00 0.00 N ATOM 0 H GLN A 25 4.129 12.090 2.493 1.00 0.00 H new ATOM 0 HA GLN A 25 6.911 13.151 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.652 12.264 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.041 11.128 1.229 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.760 10.348 1.387 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.140 11.721 0.491 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.252 9.512 -0.647 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.216 9.019 -2.044 1.00 0.00 H new ATOM 384 N ASP A 26 5.908 15.301 1.691 1.00 0.00 N ATOM 385 CA ASP A 26 5.474 16.585 1.140 1.00 0.00 C ATOM 386 C ASP A 26 4.008 16.519 0.701 1.00 0.00 C ATOM 387 O ASP A 26 3.239 15.706 1.212 1.00 0.00 O ATOM 388 CB ASP A 26 6.368 16.951 -0.050 1.00 0.00 C ATOM 389 CG ASP A 26 7.779 17.273 0.433 1.00 0.00 C ATOM 390 OD1 ASP A 26 7.948 17.460 1.626 1.00 0.00 O ATOM 391 OD2 ASP A 26 8.670 17.329 -0.399 1.00 0.00 O ATOM 0 H ASP A 26 6.597 15.380 2.439 1.00 0.00 H new ATOM 0 HA ASP A 26 5.561 17.351 1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.398 16.124 -0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.951 17.809 -0.577 1.00 0.00 H new ATOM 396 N ASP A 27 3.629 17.364 -0.247 1.00 0.00 N ATOM 397 CA ASP A 27 2.264 17.367 -0.744 1.00 0.00 C ATOM 398 C ASP A 27 2.201 18.150 -2.046 1.00 0.00 C ATOM 399 O ASP A 27 3.099 18.934 -2.351 1.00 0.00 O ATOM 400 CB ASP A 27 1.316 17.989 0.285 1.00 0.00 C ATOM 401 CG ASP A 27 1.684 19.452 0.519 1.00 0.00 C ATOM 402 OD1 ASP A 27 2.750 19.851 0.081 1.00 0.00 O ATOM 403 OD2 ASP A 27 0.892 20.150 1.133 1.00 0.00 O ATOM 0 H ASP A 27 4.244 18.051 -0.684 1.00 0.00 H new ATOM 0 HA ASP A 27 1.951 16.338 -0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.287 17.916 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.372 17.437 1.223 1.00 0.00 H new ATOM 408 N GLY A 28 1.142 17.940 -2.813 1.00 0.00 N ATOM 409 CA GLY A 28 0.992 18.645 -4.076 1.00 0.00 C ATOM 410 C GLY A 28 0.798 20.137 -3.831 1.00 0.00 C ATOM 411 O GLY A 28 0.557 20.899 -4.763 1.00 0.00 O ATOM 0 H GLY A 28 0.384 17.296 -2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.873 18.483 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.138 18.246 -4.624 1.00 0.00 H new ATOM 415 N GLY A 29 0.913 20.550 -2.566 1.00 0.00 N ATOM 416 CA GLY A 29 0.756 21.961 -2.202 1.00 0.00 C ATOM 417 C GLY A 29 -0.434 22.171 -1.270 1.00 0.00 C ATOM 418 O GLY A 29 -0.818 23.308 -0.998 1.00 0.00 O ATOM 0 H GLY A 29 1.113 19.931 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.666 22.316 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.622 22.558 -3.104 1.00 0.00 H new ATOM 422 N ALA A 30 -1.018 21.079 -0.779 1.00 0.00 N ATOM 423 CA ALA A 30 -2.163 21.184 0.125 1.00 0.00 C ATOM 424 C ALA A 30 -2.250 19.942 1.011 1.00 0.00 C ATOM 425 O ALA A 30 -1.818 18.861 0.612 1.00 0.00 O ATOM 426 CB ALA A 30 -3.451 21.345 -0.695 1.00 0.00 C ATOM 0 H ALA A 30 -0.723 20.125 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.037 22.057 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.304 21.423 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.385 22.247 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.580 20.479 -1.344 1.00 0.00 H new ATOM 432 N PRO A 31 -2.789 20.068 2.202 1.00 0.00 N ATOM 433 CA PRO A 31 -2.906 18.917 3.139 1.00 0.00 C ATOM 434 C PRO A 31 -3.830 17.832 2.591 1.00 0.00 C ATOM 435 O PRO A 31 -4.851 18.124 1.970 1.00 0.00 O ATOM 436 CB PRO A 31 -3.460 19.545 4.433 1.00 0.00 C ATOM 437 CG PRO A 31 -4.132 20.810 3.997 1.00 0.00 C ATOM 438 CD PRO A 31 -3.351 21.306 2.779 1.00 0.00 C ATOM 0 HA PRO A 31 -1.953 18.412 3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.164 18.875 4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.661 19.749 5.146 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.176 20.629 3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.122 21.552 4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.999 21.821 2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.567 22.008 3.063 1.00 0.00 H new ATOM 446 N ILE A 32 -3.454 16.582 2.825 1.00 0.00 N ATOM 447 CA ILE A 32 -4.238 15.447 2.350 1.00 0.00 C ATOM 448 C ILE A 32 -5.306 15.053 3.363 1.00 0.00 C ATOM 449 O ILE A 32 -5.019 14.876 4.547 1.00 0.00 O ATOM 450 CB ILE A 32 -3.313 14.250 2.106 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.301 14.581 0.967 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.174 13.031 1.728 1.00 0.00 C ATOM 453 CD1 ILE A 32 -0.856 14.316 1.421 1.00 0.00 C ATOM 0 H ILE A 32 -2.612 16.327 3.340 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.729 15.739 1.422 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.745 14.027 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.527 13.977 0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.408 15.625 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.529 12.171 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.864 12.806 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.740 13.252 0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.170 14.555 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.626 14.939 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.746 13.266 1.692 1.00 0.00 H new ATOM 465 N LEU A 33 -6.535 14.895 2.879 1.00 0.00 N ATOM 466 CA LEU A 33 -7.645 14.491 3.739 1.00 0.00 C ATOM 467 C LEU A 33 -7.697 12.965 3.857 1.00 0.00 C ATOM 468 O LEU A 33 -7.926 12.427 4.939 1.00 0.00 O ATOM 469 CB LEU A 33 -8.972 15.029 3.170 1.00 0.00 C ATOM 470 CG LEU A 33 -9.206 16.462 3.661 1.00 0.00 C ATOM 471 CD1 LEU A 33 -8.040 17.353 3.232 1.00 0.00 C ATOM 472 CD2 LEU A 33 -10.503 17.003 3.054 1.00 0.00 C ATOM 0 H LEU A 33 -6.787 15.039 1.901 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.492 14.910 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.946 15.008 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.798 14.389 3.481 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.280 16.461 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.211 18.371 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.114 16.972 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.963 17.353 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.670 18.022 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.425 17.000 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.338 16.373 3.360 1.00 0.00 H new ATOM 484 N GLU A 34 -7.487 12.275 2.733 1.00 0.00 N ATOM 485 CA GLU A 34 -7.519 10.808 2.717 1.00 0.00 C ATOM 486 C GLU A 34 -6.537 10.233 1.707 1.00 0.00 C ATOM 487 O GLU A 34 -6.087 10.920 0.790 1.00 0.00 O ATOM 488 CB GLU A 34 -8.929 10.313 2.366 1.00 0.00 C ATOM 489 CG GLU A 34 -9.814 10.402 3.601 1.00 0.00 C ATOM 490 CD GLU A 34 -11.239 9.983 3.255 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.414 8.857 2.819 1.00 0.00 O ATOM 492 OE2 GLU A 34 -12.132 10.794 3.436 1.00 0.00 O ATOM 0 H GLU A 34 -7.294 12.704 1.828 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.235 10.470 3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.348 10.915 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.887 9.285 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.419 9.760 4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.810 11.421 3.988 1.00 0.00 H new ATOM 499 N TYR A 35 -6.231 8.946 1.883 1.00 0.00 N ATOM 500 CA TYR A 35 -5.324 8.240 0.982 1.00 0.00 C ATOM 501 C TYR A 35 -6.082 7.154 0.226 1.00 0.00 C ATOM 502 O TYR A 35 -6.643 6.243 0.830 1.00 0.00 O ATOM 503 CB TYR A 35 -4.169 7.587 1.777 1.00 0.00 C ATOM 504 CG TYR A 35 -3.074 8.602 2.047 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.368 9.764 2.752 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.766 8.364 1.599 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.360 10.699 3.018 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.758 9.301 1.863 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.056 10.467 2.573 1.00 0.00 C ATOM 510 OH TYR A 35 -0.062 11.384 2.839 1.00 0.00 O ATOM 0 H TYR A 35 -6.599 8.373 2.642 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.912 8.962 0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.546 7.190 2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.763 6.745 1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.376 9.946 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.537 7.461 1.052 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.591 11.600 3.567 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.249 9.122 1.518 1.00 0.00 H new ATOM 0 HH TYR A 35 0.785 11.068 2.460 1.00 0.00 H new ATOM 520 N ILE A 36 -6.067 7.235 -1.096 1.00 0.00 N ATOM 521 CA ILE A 36 -6.721 6.228 -1.919 1.00 0.00 C ATOM 522 C ILE A 36 -5.684 5.206 -2.333 1.00 0.00 C ATOM 523 O ILE A 36 -4.781 5.502 -3.116 1.00 0.00 O ATOM 524 CB ILE A 36 -7.329 6.873 -3.160 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.384 7.888 -2.724 1.00 0.00 C ATOM 526 CG2 ILE A 36 -7.973 5.789 -4.036 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.867 8.686 -3.934 1.00 0.00 C ATOM 0 H ILE A 36 -5.612 7.983 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.520 5.751 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.554 7.379 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.224 7.375 -2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.966 8.562 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.408 6.249 -4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.215 5.066 -4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.754 5.281 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.619 9.408 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.025 9.213 -4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.302 8.007 -4.667 1.00 0.00 H new ATOM 539 N VAL A 37 -5.802 4.007 -1.784 1.00 0.00 N ATOM 540 CA VAL A 37 -4.857 2.940 -2.070 1.00 0.00 C ATOM 541 C VAL A 37 -5.525 1.836 -2.854 1.00 0.00 C ATOM 542 O VAL A 37 -6.600 1.357 -2.487 1.00 0.00 O ATOM 543 CB VAL A 37 -4.324 2.374 -0.760 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.303 1.268 -1.068 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.667 3.503 0.065 1.00 0.00 C ATOM 0 H VAL A 37 -6.546 3.748 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.038 3.347 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.143 1.951 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.917 0.858 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.786 0.476 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.480 1.684 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.287 3.095 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.844 3.937 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.406 4.275 0.279 1.00 0.00 H new ATOM 555 N LYS A 38 -4.877 1.430 -3.933 1.00 0.00 N ATOM 556 CA LYS A 38 -5.398 0.368 -4.775 1.00 0.00 C ATOM 557 C LYS A 38 -4.319 -0.682 -4.990 1.00 0.00 C ATOM 558 O LYS A 38 -3.180 -0.346 -5.295 1.00 0.00 O ATOM 559 CB LYS A 38 -5.835 0.945 -6.121 1.00 0.00 C ATOM 560 CG LYS A 38 -6.987 1.925 -5.909 1.00 0.00 C ATOM 561 CD LYS A 38 -7.384 2.544 -7.254 1.00 0.00 C ATOM 562 CE LYS A 38 -8.079 1.503 -8.137 1.00 0.00 C ATOM 563 NZ LYS A 38 -8.917 2.192 -9.158 1.00 0.00 N ATOM 0 H LYS A 38 -3.988 1.821 -4.246 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.258 -0.092 -4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.997 1.451 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.146 0.142 -6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.840 1.410 -5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.690 2.707 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.049 3.392 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.498 2.927 -7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.336 0.873 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.699 0.848 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.388 1.483 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.635 2.775 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.314 2.799 -9.750 1.00 0.00 H new ATOM 577 N TYR A 39 -4.676 -1.954 -4.828 1.00 0.00 N ATOM 578 CA TYR A 39 -3.705 -3.033 -5.011 1.00 0.00 C ATOM 579 C TYR A 39 -4.335 -4.190 -5.778 1.00 0.00 C ATOM 580 O TYR A 39 -5.551 -4.380 -5.754 1.00 0.00 O ATOM 581 CB TYR A 39 -3.183 -3.511 -3.651 1.00 0.00 C ATOM 582 CG TYR A 39 -4.293 -4.124 -2.826 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.187 -3.308 -2.121 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.408 -5.517 -2.750 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.201 -3.889 -1.346 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.416 -6.095 -1.972 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.313 -5.283 -1.270 1.00 0.00 C ATOM 588 OH TYR A 39 -7.307 -5.857 -0.504 1.00 0.00 O ATOM 0 H TYR A 39 -5.615 -2.261 -4.574 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.865 -2.653 -5.592 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.389 -4.243 -3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.745 -2.672 -3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.095 -2.233 -2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.718 -6.146 -3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.896 -3.261 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.502 -7.170 -1.913 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.243 -6.833 -0.563 1.00 0.00 H new ATOM 598 N ARG A 40 -3.493 -4.949 -6.477 1.00 0.00 N ATOM 599 CA ARG A 40 -3.955 -6.082 -7.279 1.00 0.00 C ATOM 600 C ARG A 40 -2.986 -7.251 -7.157 1.00 0.00 C ATOM 601 O ARG A 40 -2.032 -7.190 -6.389 1.00 0.00 O ATOM 602 CB ARG A 40 -4.062 -5.664 -8.752 1.00 0.00 C ATOM 603 CG ARG A 40 -2.707 -5.129 -9.254 1.00 0.00 C ATOM 604 CD ARG A 40 -2.629 -5.236 -10.782 1.00 0.00 C ATOM 605 NE ARG A 40 -1.305 -4.835 -11.246 1.00 0.00 N ATOM 606 CZ ARG A 40 -1.098 -4.470 -12.507 1.00 0.00 C ATOM 607 NH1 ARG A 40 -2.108 -4.357 -13.329 1.00 0.00 N ATOM 608 NH2 ARG A 40 0.111 -4.194 -12.916 1.00 0.00 N ATOM 0 H ARG A 40 -2.484 -4.800 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.933 -6.392 -6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.372 -6.516 -9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.828 -4.897 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.582 -4.090 -8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.893 -5.695 -8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.838 -6.259 -11.094 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.390 -4.603 -11.238 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.524 -4.835 -10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.055 -4.549 -13.003 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.949 -4.077 -14.297 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.896 -4.259 -12.268 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.270 -3.914 -13.884 1.00 0.00 H new ATOM 622 N SER A 41 -3.229 -8.305 -7.937 1.00 0.00 N ATOM 623 CA SER A 41 -2.363 -9.487 -7.930 1.00 0.00 C ATOM 624 C SER A 41 -1.417 -9.451 -9.133 1.00 0.00 C ATOM 625 O SER A 41 -1.823 -9.112 -10.245 1.00 0.00 O ATOM 626 CB SER A 41 -3.225 -10.749 -7.984 1.00 0.00 C ATOM 627 OG SER A 41 -4.264 -10.562 -8.933 1.00 0.00 O ATOM 0 H SER A 41 -4.017 -8.365 -8.581 1.00 0.00 H new ATOM 0 HA SER A 41 -1.769 -9.492 -7.016 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.615 -11.609 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.647 -10.958 -7.001 1.00 0.00 H new ATOM 0 HG SER A 41 -4.909 -11.296 -8.861 1.00 0.00 H new ATOM 633 N LYS A 42 -0.152 -9.795 -8.906 1.00 0.00 N ATOM 634 CA LYS A 42 0.844 -9.790 -9.979 1.00 0.00 C ATOM 635 C LYS A 42 0.567 -10.857 -11.046 1.00 0.00 C ATOM 636 O LYS A 42 0.926 -10.679 -12.212 1.00 0.00 O ATOM 637 CB LYS A 42 2.253 -9.991 -9.406 1.00 0.00 C ATOM 638 CG LYS A 42 2.728 -8.702 -8.726 1.00 0.00 C ATOM 639 CD LYS A 42 4.198 -8.835 -8.338 1.00 0.00 C ATOM 640 CE LYS A 42 4.641 -7.567 -7.609 1.00 0.00 C ATOM 641 NZ LYS A 42 6.092 -7.660 -7.284 1.00 0.00 N ATOM 0 H LYS A 42 0.208 -10.079 -7.995 1.00 0.00 H new ATOM 0 HA LYS A 42 0.776 -8.815 -10.462 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.250 -10.811 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.943 -10.268 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.595 -7.855 -9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.125 -8.504 -7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.340 -9.706 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.809 -8.990 -9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.453 -6.692 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.061 -7.439 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.393 -6.797 -6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.259 -8.486 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.639 -7.762 -8.163 1.00 0.00 H new ATOM 655 N ASP A 43 -0.034 -11.969 -10.642 1.00 0.00 N ATOM 656 CA ASP A 43 -0.309 -13.063 -11.576 1.00 0.00 C ATOM 657 C ASP A 43 -1.234 -12.618 -12.704 1.00 0.00 C ATOM 658 O ASP A 43 -1.137 -13.111 -13.829 1.00 0.00 O ATOM 659 CB ASP A 43 -0.961 -14.224 -10.830 1.00 0.00 C ATOM 660 CG ASP A 43 -1.169 -15.408 -11.766 1.00 0.00 C ATOM 661 OD1 ASP A 43 -2.002 -15.302 -12.652 1.00 0.00 O ATOM 662 OD2 ASP A 43 -0.495 -16.405 -11.581 1.00 0.00 O ATOM 0 H ASP A 43 -0.339 -12.140 -9.684 1.00 0.00 H new ATOM 0 HA ASP A 43 0.641 -13.375 -12.010 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.334 -14.522 -9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.918 -13.907 -10.416 1.00 0.00 H new ATOM 667 N LYS A 44 -2.154 -11.706 -12.395 1.00 0.00 N ATOM 668 CA LYS A 44 -3.116 -11.223 -13.382 1.00 0.00 C ATOM 669 C LYS A 44 -3.194 -9.708 -13.379 1.00 0.00 C ATOM 670 O LYS A 44 -2.674 -9.035 -12.488 1.00 0.00 O ATOM 671 CB LYS A 44 -4.501 -11.801 -13.085 1.00 0.00 C ATOM 672 CG LYS A 44 -4.899 -11.472 -11.643 1.00 0.00 C ATOM 673 CD LYS A 44 -6.075 -12.359 -11.202 1.00 0.00 C ATOM 674 CE LYS A 44 -5.590 -13.791 -10.926 1.00 0.00 C ATOM 675 NZ LYS A 44 -6.567 -14.483 -10.036 1.00 0.00 N ATOM 0 H LYS A 44 -2.253 -11.288 -11.470 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.780 -11.550 -14.366 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.234 -11.388 -13.778 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.495 -12.881 -13.233 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.049 -11.626 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.177 -10.421 -11.565 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.535 -11.945 -10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.841 -12.370 -11.977 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.484 -14.338 -11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.606 -13.769 -10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.240 -15.452 -9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.646 -13.965 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.497 -14.515 -10.500 1.00 0.00 H new ATOM 689 N GLU A 45 -3.861 -9.195 -14.394 1.00 0.00 N ATOM 690 CA GLU A 45 -4.048 -7.754 -14.561 1.00 0.00 C ATOM 691 C GLU A 45 -5.338 -7.476 -15.322 1.00 0.00 C ATOM 692 O GLU A 45 -5.416 -7.690 -16.532 1.00 0.00 O ATOM 693 CB GLU A 45 -2.884 -7.145 -15.348 1.00 0.00 C ATOM 694 CG GLU A 45 -1.585 -7.222 -14.544 1.00 0.00 C ATOM 695 CD GLU A 45 -0.472 -6.524 -15.319 1.00 0.00 C ATOM 696 OE1 GLU A 45 -0.742 -6.084 -16.426 1.00 0.00 O ATOM 697 OE2 GLU A 45 0.628 -6.437 -14.801 1.00 0.00 O ATOM 0 H GLU A 45 -4.290 -9.758 -15.128 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.093 -7.307 -13.568 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.763 -7.673 -16.294 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.107 -6.106 -15.589 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.718 -6.750 -13.570 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.319 -8.263 -14.360 1.00 0.00 H new ATOM 704 N ASP A 46 -6.343 -6.992 -14.608 1.00 0.00 N ATOM 705 CA ASP A 46 -7.628 -6.681 -15.226 1.00 0.00 C ATOM 706 C ASP A 46 -8.477 -5.806 -14.309 1.00 0.00 C ATOM 707 O ASP A 46 -9.338 -5.063 -14.776 1.00 0.00 O ATOM 708 CB ASP A 46 -8.383 -7.973 -15.544 1.00 0.00 C ATOM 709 CG ASP A 46 -8.511 -8.827 -14.287 1.00 0.00 C ATOM 710 OD1 ASP A 46 -7.746 -8.605 -13.364 1.00 0.00 O ATOM 711 OD2 ASP A 46 -9.369 -9.693 -14.269 1.00 0.00 O ATOM 0 H ASP A 46 -6.297 -6.806 -13.606 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.436 -6.134 -16.149 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.373 -7.738 -15.936 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.857 -8.530 -16.319 1.00 0.00 H new ATOM 716 N GLN A 47 -8.239 -5.903 -13.001 1.00 0.00 N ATOM 717 CA GLN A 47 -8.998 -5.115 -12.028 1.00 0.00 C ATOM 718 C GLN A 47 -8.108 -4.709 -10.859 1.00 0.00 C ATOM 719 O GLN A 47 -7.039 -5.282 -10.654 1.00 0.00 O ATOM 720 CB GLN A 47 -10.189 -5.930 -11.512 1.00 0.00 C ATOM 721 CG GLN A 47 -11.154 -6.199 -12.667 1.00 0.00 C ATOM 722 CD GLN A 47 -12.409 -6.897 -12.153 1.00 0.00 C ATOM 723 OE1 GLN A 47 -13.019 -6.447 -11.184 1.00 0.00 O ATOM 724 NE2 GLN A 47 -12.830 -7.978 -12.746 1.00 0.00 N ATOM 0 H GLN A 47 -7.532 -6.514 -12.592 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.363 -4.214 -12.520 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.843 -6.871 -11.085 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.699 -5.387 -10.716 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.424 -5.260 -13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.667 -6.818 -13.420 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.323 -8.350 -13.549 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.667 -8.453 -12.407 1.00 0.00 H new ATOM 733 N TRP A 48 -8.552 -3.710 -10.098 1.00 0.00 N ATOM 734 CA TRP A 48 -7.784 -3.223 -8.948 1.00 0.00 C ATOM 735 C TRP A 48 -8.673 -3.096 -7.712 1.00 0.00 C ATOM 736 O TRP A 48 -9.764 -2.527 -7.768 1.00 0.00 O ATOM 737 CB TRP A 48 -7.176 -1.847 -9.275 1.00 0.00 C ATOM 738 CG TRP A 48 -5.914 -2.004 -10.067 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.850 -2.318 -11.382 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.539 -1.851 -9.619 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.520 -2.372 -11.762 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.675 -2.087 -10.710 1.00 0.00 C ATOM 743 CE3 TRP A 48 -3.962 -1.533 -8.377 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.288 -2.009 -10.576 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.567 -1.454 -8.240 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.732 -1.692 -9.337 1.00 0.00 C ATOM 0 H TRP A 48 -9.434 -3.223 -10.254 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.992 -3.942 -8.739 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.894 -1.251 -9.838 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.968 -1.307 -8.352 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.697 -2.497 -12.028 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.203 -2.595 -12.706 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.596 -1.348 -7.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.649 -2.193 -11.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.135 -1.208 -7.281 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.660 -1.630 -9.225 1.00 0.00 H new ATOM 757 N LEU A 49 -8.174 -3.598 -6.590 1.00 0.00 N ATOM 758 CA LEU A 49 -8.906 -3.507 -5.325 1.00 0.00 C ATOM 759 C LEU A 49 -8.769 -2.087 -4.769 1.00 0.00 C ATOM 760 O LEU A 49 -7.889 -1.351 -5.195 1.00 0.00 O ATOM 761 CB LEU A 49 -8.364 -4.530 -4.320 1.00 0.00 C ATOM 762 CG LEU A 49 -8.519 -5.955 -4.882 1.00 0.00 C ATOM 763 CD1 LEU A 49 -7.931 -6.959 -3.886 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.007 -6.275 -5.121 1.00 0.00 C ATOM 0 H LEU A 49 -7.272 -4.070 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.959 -3.728 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.314 -4.325 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.900 -4.443 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.988 -6.024 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.039 -7.969 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.874 -6.741 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.461 -6.882 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.103 -7.285 -5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.551 -6.203 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.422 -5.564 -5.835 1.00 0.00 H new ATOM 776 N GLU A 50 -9.667 -1.686 -3.857 1.00 0.00 N ATOM 777 CA GLU A 50 -9.638 -0.320 -3.292 1.00 0.00 C ATOM 778 C GLU A 50 -9.418 -0.336 -1.772 1.00 0.00 C ATOM 779 O GLU A 50 -9.783 -1.293 -1.086 1.00 0.00 O ATOM 780 CB GLU A 50 -10.962 0.393 -3.616 1.00 0.00 C ATOM 781 CG GLU A 50 -12.117 -0.610 -3.556 1.00 0.00 C ATOM 782 CD GLU A 50 -12.142 -1.305 -2.200 1.00 0.00 C ATOM 783 OE1 GLU A 50 -12.481 -0.652 -1.226 1.00 0.00 O ATOM 784 OE2 GLU A 50 -11.816 -2.480 -2.154 1.00 0.00 O ATOM 0 H GLU A 50 -10.416 -2.277 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.801 0.214 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.133 1.202 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.910 0.844 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.063 -0.096 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.008 -1.349 -4.350 1.00 0.00 H new ATOM 791 N LYS A 51 -8.820 0.742 -1.259 1.00 0.00 N ATOM 792 CA LYS A 51 -8.556 0.869 0.174 1.00 0.00 C ATOM 793 C LYS A 51 -8.349 2.349 0.517 1.00 0.00 C ATOM 794 O LYS A 51 -7.381 2.964 0.084 1.00 0.00 O ATOM 795 CB LYS A 51 -7.321 0.004 0.534 1.00 0.00 C ATOM 796 CG LYS A 51 -6.707 0.362 1.926 1.00 0.00 C ATOM 797 CD LYS A 51 -7.143 -0.642 3.013 1.00 0.00 C ATOM 798 CE LYS A 51 -8.593 -0.382 3.434 1.00 0.00 C ATOM 799 NZ LYS A 51 -8.870 -1.100 4.712 1.00 0.00 N ATOM 0 H LYS A 51 -8.510 1.539 -1.815 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.400 0.509 0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.608 -1.048 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.560 0.130 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.619 0.371 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.016 1.367 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.045 -1.660 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.486 -0.558 3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.761 0.688 3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.277 -0.723 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.854 -0.926 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.724 -2.121 4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.225 -0.754 5.451 1.00 0.00 H new ATOM 813 N LYS A 52 -9.272 2.912 1.299 1.00 0.00 N ATOM 814 CA LYS A 52 -9.193 4.326 1.691 1.00 0.00 C ATOM 815 C LYS A 52 -8.600 4.463 3.093 1.00 0.00 C ATOM 816 O LYS A 52 -8.834 3.616 3.955 1.00 0.00 O ATOM 817 CB LYS A 52 -10.601 4.929 1.696 1.00 0.00 C ATOM 818 CG LYS A 52 -11.313 4.631 0.368 1.00 0.00 C ATOM 819 CD LYS A 52 -10.608 5.345 -0.790 1.00 0.00 C ATOM 820 CE LYS A 52 -11.519 5.339 -2.019 1.00 0.00 C ATOM 821 NZ LYS A 52 -11.791 3.931 -2.422 1.00 0.00 N ATOM 0 H LYS A 52 -10.081 2.416 1.673 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.555 4.848 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.177 4.518 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.542 6.006 1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.324 3.556 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.352 4.955 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.367 6.370 -0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.666 4.847 -1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.454 5.853 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.046 5.880 -2.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.187 3.915 -3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.905 3.387 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.471 3.506 -1.760 1.00 0.00 H new ATOM 835 N VAL A 53 -7.839 5.541 3.326 1.00 0.00 N ATOM 836 CA VAL A 53 -7.235 5.778 4.642 1.00 0.00 C ATOM 837 C VAL A 53 -7.338 7.256 5.021 1.00 0.00 C ATOM 838 O VAL A 53 -7.459 8.125 4.161 1.00 0.00 O ATOM 839 CB VAL A 53 -5.746 5.327 4.677 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.489 4.483 5.926 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.412 4.496 3.437 1.00 0.00 C ATOM 0 H VAL A 53 -7.629 6.255 2.628 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.788 5.182 5.367 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.116 6.216 4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.445 4.170 5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.707 5.074 6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.131 3.603 5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.367 4.188 3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.050 3.613 3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.581 5.094 2.542 1.00 0.00 H new ATOM 851 N GLN A 54 -7.269 7.520 6.319 1.00 0.00 N ATOM 852 CA GLN A 54 -7.332 8.886 6.821 1.00 0.00 C ATOM 853 C GLN A 54 -5.985 9.573 6.600 1.00 0.00 C ATOM 854 O GLN A 54 -4.931 8.970 6.804 1.00 0.00 O ATOM 855 CB GLN A 54 -7.702 8.876 8.310 1.00 0.00 C ATOM 856 CG GLN A 54 -7.777 10.309 8.830 1.00 0.00 C ATOM 857 CD GLN A 54 -8.375 10.325 10.233 1.00 0.00 C ATOM 858 OE1 GLN A 54 -7.690 10.008 11.206 1.00 0.00 O ATOM 859 NE2 GLN A 54 -9.625 10.661 10.394 1.00 0.00 N ATOM 0 H GLN A 54 -7.170 6.808 7.042 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.099 9.441 6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.660 8.376 8.453 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.960 8.312 8.875 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.781 10.751 8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.385 10.916 8.160 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.191 10.923 9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.037 10.662 11.327 1.00 0.00 H new ATOM 868 N GLY A 55 -6.025 10.824 6.150 1.00 0.00 N ATOM 869 CA GLY A 55 -4.797 11.568 5.869 1.00 0.00 C ATOM 870 C GLY A 55 -3.868 11.636 7.073 1.00 0.00 C ATOM 871 O GLY A 55 -2.790 12.226 6.993 1.00 0.00 O ATOM 0 H GLY A 55 -6.886 11.342 5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.274 11.098 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.053 12.580 5.554 1.00 0.00 H new ATOM 875 N ASN A 56 -4.279 11.031 8.185 1.00 0.00 N ATOM 876 CA ASN A 56 -3.466 11.028 9.402 1.00 0.00 C ATOM 877 C ASN A 56 -3.147 9.600 9.831 1.00 0.00 C ATOM 878 O ASN A 56 -2.384 9.384 10.773 1.00 0.00 O ATOM 879 CB ASN A 56 -4.219 11.751 10.520 1.00 0.00 C ATOM 880 CG ASN A 56 -4.294 13.240 10.205 1.00 0.00 C ATOM 881 OD1 ASN A 56 -3.451 13.762 9.473 1.00 0.00 O ATOM 882 ND2 ASN A 56 -5.259 13.960 10.708 1.00 0.00 N ATOM 0 H ASN A 56 -5.168 10.537 8.270 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.528 11.545 9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.223 11.339 10.621 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.713 11.595 11.473 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.316 14.956 10.495 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.956 13.527 11.314 1.00 0.00 H new ATOM 889 N LYS A 57 -3.741 8.623 9.143 1.00 0.00 N ATOM 890 CA LYS A 57 -3.504 7.224 9.484 1.00 0.00 C ATOM 891 C LYS A 57 -2.036 6.879 9.233 1.00 0.00 C ATOM 892 O LYS A 57 -1.350 6.321 10.090 1.00 0.00 O ATOM 893 CB LYS A 57 -4.395 6.311 8.614 1.00 0.00 C ATOM 894 CG LYS A 57 -4.750 5.006 9.377 1.00 0.00 C ATOM 895 CD LYS A 57 -6.127 5.160 10.035 1.00 0.00 C ATOM 896 CE LYS A 57 -6.461 3.893 10.825 1.00 0.00 C ATOM 897 NZ LYS A 57 -5.576 3.807 12.020 1.00 0.00 N ATOM 0 H LYS A 57 -4.378 8.772 8.361 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.746 7.069 10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.309 6.839 8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.878 6.067 7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.755 4.160 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.994 4.797 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.130 6.026 10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.887 5.338 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.506 3.909 11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.327 3.013 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.985 3.142 12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.635 3.472 11.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.490 4.747 12.457 1.00 0.00 H new ATOM 911 N ASP A 58 -1.577 7.239 8.042 1.00 0.00 N ATOM 912 CA ASP A 58 -0.198 7.006 7.632 1.00 0.00 C ATOM 913 C ASP A 58 0.192 5.527 7.727 1.00 0.00 C ATOM 914 O ASP A 58 1.339 5.209 8.040 1.00 0.00 O ATOM 915 CB ASP A 58 0.752 7.849 8.487 1.00 0.00 C ATOM 916 CG ASP A 58 0.542 9.327 8.174 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.642 9.685 7.012 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.278 10.078 9.100 1.00 0.00 O ATOM 0 H ASP A 58 -2.148 7.700 7.334 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.115 7.301 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.570 7.661 9.545 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.786 7.567 8.287 1.00 0.00 H new ATOM 923 N HIS A 59 -0.754 4.625 7.445 1.00 0.00 N ATOM 924 CA HIS A 59 -0.470 3.184 7.499 1.00 0.00 C ATOM 925 C HIS A 59 -1.705 2.366 7.097 1.00 0.00 C ATOM 926 O HIS A 59 -2.842 2.795 7.298 1.00 0.00 O ATOM 927 CB HIS A 59 0.033 2.785 8.922 1.00 0.00 C ATOM 928 CG HIS A 59 -1.021 2.032 9.701 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.305 0.690 9.795 1.00 0.00 N flip ATOM 930 CD2 HIS A 59 -1.946 2.673 10.511 1.00 0.00 C flip ATOM 931 CE1 HIS A 59 -2.388 0.499 10.647 1.00 0.00 C flip ATOM 932 NE2 HIS A 59 -2.735 1.726 11.050 1.00 0.00 N flip ATOM 0 H HIS A 59 -1.711 4.861 7.180 1.00 0.00 H new ATOM 0 HA HIS A 59 0.320 2.960 6.782 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.927 2.168 8.831 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.319 3.682 9.471 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -0.799 -0.053 9.313 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.020 3.737 10.678 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.849 -0.438 10.923 1.00 0.00 H new ATOM 940 N ILE A 60 -1.464 1.180 6.539 1.00 0.00 N ATOM 941 CA ILE A 60 -2.552 0.289 6.124 1.00 0.00 C ATOM 942 C ILE A 60 -2.110 -1.166 6.202 1.00 0.00 C ATOM 943 O ILE A 60 -0.948 -1.482 5.950 1.00 0.00 O ATOM 944 CB ILE A 60 -3.000 0.592 4.690 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.768 0.647 3.757 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.762 1.918 4.659 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.106 1.412 2.476 1.00 0.00 C ATOM 0 H ILE A 60 -0.529 0.813 6.363 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.388 0.459 6.803 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.663 -0.199 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.937 1.131 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.445 -0.364 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.080 2.131 3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.638 1.850 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.113 2.719 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.230 1.443 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.923 0.910 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.407 2.429 2.728 1.00 0.00 H new ATOM 959 N ILE A 61 -3.051 -2.047 6.540 1.00 0.00 N ATOM 960 CA ILE A 61 -2.761 -3.477 6.646 1.00 0.00 C ATOM 961 C ILE A 61 -3.573 -4.267 5.621 1.00 0.00 C ATOM 962 O ILE A 61 -4.784 -4.426 5.772 1.00 0.00 O ATOM 963 CB ILE A 61 -3.128 -3.964 8.052 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.513 -3.033 9.116 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.611 -5.388 8.252 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.991 -2.948 8.957 1.00 0.00 C ATOM 0 H ILE A 61 -4.018 -1.797 6.745 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.699 -3.633 6.455 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.213 -3.953 8.159 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.948 -2.037 9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.758 -3.401 10.112 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.873 -5.733 9.252 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.064 -6.047 7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.527 -5.401 8.136 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.582 -2.285 9.720 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.557 -3.942 9.069 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.750 -2.557 7.969 1.00 0.00 H new ATOM 978 N LEU A 62 -2.897 -4.792 4.595 1.00 0.00 N ATOM 979 CA LEU A 62 -3.570 -5.596 3.573 1.00 0.00 C ATOM 980 C LEU A 62 -3.474 -7.063 3.973 1.00 0.00 C ATOM 981 O LEU A 62 -2.408 -7.673 3.883 1.00 0.00 O ATOM 982 CB LEU A 62 -2.901 -5.409 2.194 1.00 0.00 C ATOM 983 CG LEU A 62 -2.951 -3.942 1.697 1.00 0.00 C ATOM 984 CD1 LEU A 62 -4.300 -3.288 2.002 1.00 0.00 C ATOM 985 CD2 LEU A 62 -1.830 -3.115 2.339 1.00 0.00 C ATOM 0 H LEU A 62 -1.894 -4.676 4.451 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.610 -5.278 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.862 -5.733 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.395 -6.052 1.465 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.814 -3.965 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.297 -2.260 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.095 -3.845 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.471 -3.292 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.882 -2.088 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.946 -3.124 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.864 -3.544 2.074 1.00 0.00 H new ATOM 997 N GLU A 63 -4.591 -7.615 4.436 1.00 0.00 N ATOM 998 CA GLU A 63 -4.640 -9.005 4.886 1.00 0.00 C ATOM 999 C GLU A 63 -5.038 -9.953 3.757 1.00 0.00 C ATOM 1000 O GLU A 63 -5.761 -9.577 2.835 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.653 -9.121 6.028 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.687 -10.549 6.582 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.697 -10.632 7.724 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.884 -10.655 7.438 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -6.268 -10.675 8.865 1.00 0.00 O ATOM 0 H GLU A 63 -5.479 -7.119 4.510 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.644 -9.290 5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.392 -8.423 6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.644 -8.841 5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.958 -11.250 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.697 -10.836 6.937 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.572 -11.192 3.864 1.00 0.00 N ATOM 1013 CA HIS A 64 -4.887 -12.233 2.885 1.00 0.00 C ATOM 1014 C HIS A 64 -3.999 -12.118 1.643 1.00 0.00 C ATOM 1015 O HIS A 64 -4.489 -11.900 0.536 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.377 -12.143 2.492 1.00 0.00 C ATOM 1017 CG HIS A 64 -6.910 -13.505 2.119 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -6.921 -14.563 3.014 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -7.474 -13.992 0.961 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -7.471 -15.621 2.390 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -7.823 -15.328 1.135 1.00 0.00 N ATOM 0 H HIS A 64 -3.969 -11.505 4.625 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.692 -13.204 3.341 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.954 -11.735 3.322 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.497 -11.457 1.653 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.623 -13.423 0.055 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.611 -16.589 2.848 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -8.255 -15.950 0.451 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.691 -12.283 1.837 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.731 -12.210 0.730 1.00 0.00 C ATOM 1031 C LEU A 65 -0.985 -13.534 0.603 1.00 0.00 C ATOM 1032 O LEU A 65 0.069 -13.712 1.205 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.720 -11.092 0.988 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.453 -9.772 1.246 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.420 -8.678 1.526 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.296 -9.390 0.021 1.00 0.00 C ATOM 0 H LEU A 65 -2.270 -12.468 2.747 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.275 -12.005 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.097 -11.345 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.055 -10.987 0.131 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.115 -9.884 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.931 -7.733 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.169 -8.949 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.239 -8.571 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.813 -8.450 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.646 -9.275 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.028 -10.173 -0.176 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.542 -14.466 -0.170 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.911 -15.776 -0.342 1.00 0.00 C ATOM 1050 C GLN A 66 0.614 -15.668 -0.392 1.00 0.00 C ATOM 1051 O GLN A 66 1.167 -14.640 -0.782 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.417 -16.457 -1.614 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.871 -16.896 -1.430 1.00 0.00 C ATOM 1054 CD GLN A 66 -3.365 -17.579 -2.701 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -2.589 -17.785 -3.633 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -4.613 -17.950 -2.793 1.00 0.00 N ATOM 0 H GLN A 66 -2.416 -14.343 -0.681 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.184 -16.379 0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.339 -15.772 -2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.794 -17.321 -1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.951 -17.579 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.496 -16.032 -1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.255 -17.778 -2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.947 -18.412 -3.639 1.00 0.00 H new ATOM 1065 N TRP A 67 1.272 -16.740 0.028 1.00 0.00 N ATOM 1066 CA TRP A 67 2.730 -16.793 0.064 1.00 0.00 C ATOM 1067 C TRP A 67 3.308 -17.163 -1.300 1.00 0.00 C ATOM 1068 O TRP A 67 4.526 -17.174 -1.483 1.00 0.00 O ATOM 1069 CB TRP A 67 3.150 -17.847 1.085 1.00 0.00 C ATOM 1070 CG TRP A 67 2.601 -17.494 2.430 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.450 -17.994 2.930 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.127 -16.585 3.451 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.248 -17.480 4.193 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.244 -16.604 4.555 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.267 -15.760 3.538 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.475 -15.842 5.698 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.500 -14.984 4.694 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.604 -15.029 5.770 1.00 0.00 C ATOM 0 H TRP A 67 0.815 -17.593 0.352 1.00 0.00 H new ATOM 0 HA TRP A 67 3.109 -15.808 0.338 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.786 -18.828 0.779 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.237 -17.910 1.131 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.794 -18.685 2.422 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.455 -17.721 4.788 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.966 -15.721 2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.782 -15.881 6.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.374 -14.352 4.749 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.788 -14.435 6.653 1.00 0.00 H new ATOM 1089 N THR A 68 2.433 -17.493 -2.251 1.00 0.00 N ATOM 1090 CA THR A 68 2.868 -17.894 -3.594 1.00 0.00 C ATOM 1091 C THR A 68 2.414 -16.895 -4.653 1.00 0.00 C ATOM 1092 O THR A 68 2.441 -17.190 -5.847 1.00 0.00 O ATOM 1093 CB THR A 68 2.310 -19.281 -3.913 1.00 0.00 C ATOM 1094 OG1 THR A 68 0.896 -19.263 -3.794 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.902 -20.291 -2.927 1.00 0.00 C ATOM 0 H THR A 68 1.422 -17.491 -2.119 1.00 0.00 H new ATOM 0 HA THR A 68 3.958 -17.918 -3.608 1.00 0.00 H new ATOM 0 HB THR A 68 2.576 -19.564 -4.932 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.539 -20.152 -4.000 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.511 -21.285 -3.145 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.988 -20.299 -3.023 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.630 -20.009 -1.910 1.00 0.00 H new ATOM 1103 N MET A 69 1.999 -15.711 -4.217 1.00 0.00 N ATOM 1104 CA MET A 69 1.547 -14.678 -5.150 1.00 0.00 C ATOM 1105 C MET A 69 1.906 -13.288 -4.652 1.00 0.00 C ATOM 1106 O MET A 69 1.724 -12.964 -3.478 1.00 0.00 O ATOM 1107 CB MET A 69 0.030 -14.763 -5.344 1.00 0.00 C ATOM 1108 CG MET A 69 -0.317 -15.889 -6.328 1.00 0.00 C ATOM 1109 SD MET A 69 -2.083 -15.830 -6.726 1.00 0.00 S ATOM 1110 CE MET A 69 -2.093 -14.198 -7.516 1.00 0.00 C ATOM 0 H MET A 69 1.965 -15.441 -3.234 1.00 0.00 H new ATOM 0 HA MET A 69 2.052 -14.852 -6.100 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.457 -14.945 -4.386 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.350 -13.813 -5.719 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.274 -15.785 -7.238 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.065 -16.856 -5.893 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.813 -14.194 -8.334 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.372 -13.441 -6.783 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.100 -13.976 -7.906 1.00 0.00 H new ATOM 1120 N GLY A 70 2.393 -12.458 -5.571 1.00 0.00 N ATOM 1121 CA GLY A 70 2.747 -11.090 -5.248 1.00 0.00 C ATOM 1122 C GLY A 70 1.579 -10.160 -5.532 1.00 0.00 C ATOM 1123 O GLY A 70 0.649 -10.514 -6.258 1.00 0.00 O ATOM 0 H GLY A 70 2.550 -12.715 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.030 -11.019 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.614 -10.784 -5.833 1.00 0.00 H new ATOM 1127 N TYR A 71 1.631 -8.968 -4.952 1.00 0.00 N ATOM 1128 CA TYR A 71 0.571 -7.977 -5.136 1.00 0.00 C ATOM 1129 C TYR A 71 1.164 -6.579 -5.264 1.00 0.00 C ATOM 1130 O TYR A 71 2.004 -6.179 -4.459 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.373 -8.012 -3.932 1.00 0.00 C ATOM 1132 CG TYR A 71 -1.082 -9.347 -3.864 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -0.430 -10.462 -3.318 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -2.391 -9.472 -4.346 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -1.089 -11.696 -3.253 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -3.047 -10.705 -4.280 1.00 0.00 C ATOM 1137 CZ TYR A 71 -2.397 -11.816 -3.733 1.00 0.00 C ATOM 1138 OH TYR A 71 -3.048 -13.032 -3.666 1.00 0.00 O ATOM 0 H TYR A 71 2.395 -8.661 -4.350 1.00 0.00 H new ATOM 0 HA TYR A 71 0.024 -8.216 -6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.190 -7.844 -3.014 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.104 -7.207 -4.010 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.580 -10.369 -2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.894 -8.615 -4.769 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.587 -12.555 -2.832 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.057 -10.800 -4.652 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.949 -12.942 -4.041 1.00 0.00 H new ATOM 1148 N GLU A 72 0.716 -5.825 -6.268 1.00 0.00 N ATOM 1149 CA GLU A 72 1.209 -4.463 -6.463 1.00 0.00 C ATOM 1150 C GLU A 72 0.360 -3.500 -5.639 1.00 0.00 C ATOM 1151 O GLU A 72 -0.820 -3.751 -5.419 1.00 0.00 O ATOM 1152 CB GLU A 72 1.136 -4.061 -7.946 1.00 0.00 C ATOM 1153 CG GLU A 72 1.459 -5.258 -8.834 1.00 0.00 C ATOM 1154 CD GLU A 72 1.673 -4.791 -10.270 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.479 -3.614 -10.522 1.00 0.00 O ATOM 1156 OE2 GLU A 72 2.034 -5.616 -11.094 1.00 0.00 O ATOM 0 H GLU A 72 0.022 -6.130 -6.950 1.00 0.00 H new ATOM 0 HA GLU A 72 2.250 -4.420 -6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.140 -3.684 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.838 -3.251 -8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.353 -5.763 -8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.645 -5.982 -8.795 1.00 0.00 H new ATOM 1163 N VAL A 73 0.961 -2.401 -5.192 1.00 0.00 N ATOM 1164 CA VAL A 73 0.237 -1.398 -4.394 1.00 0.00 C ATOM 1165 C VAL A 73 0.401 -0.022 -5.021 1.00 0.00 C ATOM 1166 O VAL A 73 1.490 0.350 -5.450 1.00 0.00 O ATOM 1167 CB VAL A 73 0.763 -1.375 -2.936 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.396 -1.193 -1.944 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.484 -2.694 -2.640 1.00 0.00 C ATOM 0 H VAL A 73 1.941 -2.177 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.819 -1.666 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 73 1.452 -0.538 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.005 -1.180 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.906 -0.252 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.100 -2.018 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.856 -2.683 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.789 -3.524 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.320 -2.814 -3.329 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.686 0.730 -5.067 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.665 2.073 -5.631 1.00 0.00 C ATOM 1181 C GLN A 74 -1.297 3.042 -4.650 1.00 0.00 C ATOM 1182 O GLN A 74 -2.513 3.057 -4.454 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.410 2.081 -6.959 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.397 3.488 -7.562 1.00 0.00 C ATOM 1185 CD GLN A 74 -2.072 3.473 -8.930 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -3.234 3.861 -9.051 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -1.413 3.041 -9.967 1.00 0.00 N ATOM 0 H GLN A 74 -1.598 0.434 -4.720 1.00 0.00 H new ATOM 0 HA GLN A 74 0.364 2.384 -5.812 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.946 1.377 -7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.438 1.750 -6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.914 4.182 -6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.371 3.843 -7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.450 2.720 -9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.860 3.023 -10.884 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.443 3.838 -4.027 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.868 4.821 -3.038 1.00 0.00 C ATOM 1198 C ILE A 75 -1.114 6.166 -3.713 1.00 0.00 C ATOM 1199 O ILE A 75 -0.307 6.622 -4.520 1.00 0.00 O ATOM 1200 CB ILE A 75 0.238 4.928 -1.958 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.028 3.957 -0.803 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.370 6.352 -1.407 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.167 2.520 -1.284 1.00 0.00 C ATOM 0 H ILE A 75 0.564 3.823 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.803 4.514 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 75 1.176 4.663 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.648 4.168 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.043 4.091 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.157 6.379 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.622 7.034 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.575 6.657 -0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.023 1.832 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.527 2.312 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.190 2.390 -1.637 1.00 0.00 H new ATOM 1215 N THR A 76 -2.225 6.808 -3.365 1.00 0.00 N ATOM 1216 CA THR A 76 -2.549 8.114 -3.926 1.00 0.00 C ATOM 1217 C THR A 76 -3.106 9.011 -2.832 1.00 0.00 C ATOM 1218 O THR A 76 -4.159 8.737 -2.261 1.00 0.00 O ATOM 1219 CB THR A 76 -3.552 7.975 -5.074 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.132 6.933 -5.943 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.611 9.286 -5.850 1.00 0.00 C ATOM 0 H THR A 76 -2.911 6.448 -2.702 1.00 0.00 H new ATOM 0 HA THR A 76 -1.642 8.564 -4.328 1.00 0.00 H new ATOM 0 HB THR A 76 -4.538 7.740 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.774 6.841 -6.678 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.324 9.192 -6.669 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.927 10.089 -5.184 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.624 9.515 -6.253 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.381 10.080 -2.541 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.789 11.018 -1.500 1.00 0.00 C ATOM 1231 C ALA A 77 -3.741 12.053 -2.101 1.00 0.00 C ATOM 1232 O ALA A 77 -3.441 12.641 -3.133 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.528 11.683 -0.917 1.00 0.00 C ATOM 0 H ALA A 77 -1.508 10.322 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.315 10.503 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.816 12.388 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.876 10.919 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.998 12.214 -1.708 1.00 0.00 H new ATOM 1239 N ALA A 78 -4.909 12.246 -1.477 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.907 13.186 -2.009 1.00 0.00 C ATOM 1241 C ALA A 78 -5.985 14.489 -1.216 1.00 0.00 C ATOM 1242 O ALA A 78 -6.539 14.531 -0.118 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.283 12.520 -2.000 1.00 0.00 C ATOM 0 H ALA A 78 -5.185 11.773 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.596 13.439 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.026 13.214 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.258 11.625 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.548 12.246 -0.979 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.472 15.564 -1.814 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.523 16.890 -1.198 1.00 0.00 C ATOM 1251 C ASN A 79 -6.482 17.764 -1.991 1.00 0.00 C ATOM 1252 O ASN A 79 -7.226 17.269 -2.837 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.121 17.522 -1.169 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.341 17.129 -2.417 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -3.917 16.628 -3.380 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.049 17.323 -2.451 1.00 0.00 N ATOM 0 H ASN A 79 -5.016 15.542 -2.726 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.874 16.802 -0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.204 18.607 -1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.585 17.195 -0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.515 17.058 -3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.575 17.739 -1.650 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.466 19.059 -1.720 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.351 19.975 -2.432 1.00 0.00 C ATOM 1265 C ARG A 80 -7.238 19.729 -3.940 1.00 0.00 C ATOM 1266 O ARG A 80 -8.208 19.893 -4.681 1.00 0.00 O ATOM 1267 CB ARG A 80 -6.981 21.442 -2.095 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.911 22.004 -1.007 1.00 0.00 C ATOM 1269 CD ARG A 80 -7.620 21.311 0.326 1.00 0.00 C ATOM 1270 NE ARG A 80 -8.599 21.708 1.331 1.00 0.00 N ATOM 1271 CZ ARG A 80 -8.527 22.889 1.938 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -7.576 23.728 1.627 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -9.411 23.210 2.841 1.00 0.00 N ATOM 0 H ARG A 80 -5.862 19.497 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.380 19.798 -2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.946 21.492 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.053 22.055 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.764 23.080 -0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.952 21.849 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.644 20.229 0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.617 21.568 0.665 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.354 21.067 1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.887 23.478 0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.522 24.634 2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.156 22.556 3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.358 24.115 3.308 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.054 19.321 -4.383 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.838 19.043 -5.800 1.00 0.00 C ATOM 1289 C LEU A 81 -6.735 17.886 -6.225 1.00 0.00 C ATOM 1290 O LEU A 81 -7.323 17.896 -7.306 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.368 18.672 -6.054 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.484 19.931 -6.079 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.828 20.822 -7.289 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.680 20.711 -4.773 1.00 0.00 C ATOM 0 H LEU A 81 -5.237 19.176 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.080 19.934 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.020 17.993 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.281 18.142 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.441 19.629 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.189 21.705 -7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.666 20.263 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.872 21.129 -7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.056 21.604 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.726 21.001 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.398 20.083 -3.928 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.823 16.886 -5.352 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.632 15.695 -5.604 1.00 0.00 C ATOM 1308 C GLY A 82 -6.764 14.456 -5.482 1.00 0.00 C ATOM 1309 O GLY A 82 -7.147 13.466 -4.861 1.00 0.00 O ATOM 0 H GLY A 82 -6.339 16.877 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.456 15.646 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.073 15.746 -6.600 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.580 14.541 -6.070 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.616 13.454 -6.026 1.00 0.00 C ATOM 1315 C TYR A 83 -3.217 14.041 -6.164 1.00 0.00 C ATOM 1316 O TYR A 83 -3.015 14.980 -6.934 1.00 0.00 O ATOM 1317 CB TYR A 83 -4.888 12.459 -7.152 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.377 12.268 -7.316 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.101 13.132 -8.146 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.034 11.225 -6.646 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.480 12.955 -8.309 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.413 11.049 -6.811 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.136 11.915 -7.643 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.495 11.739 -7.805 1.00 0.00 O ATOM 0 H TYR A 83 -5.263 15.360 -6.588 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.701 12.922 -5.078 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.454 12.822 -8.084 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.412 11.504 -6.929 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.595 13.936 -8.661 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.477 10.559 -6.004 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.038 13.622 -8.950 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.920 10.246 -6.297 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.791 10.971 -7.273 1.00 0.00 H new ATOM 1334 N SER A 84 -2.258 13.518 -5.410 1.00 0.00 N ATOM 1335 CA SER A 84 -0.904 14.047 -5.471 1.00 0.00 C ATOM 1336 C SER A 84 0.124 13.028 -5.001 1.00 0.00 C ATOM 1337 O SER A 84 -0.204 12.066 -4.304 1.00 0.00 O ATOM 1338 CB SER A 84 -0.813 15.283 -4.581 1.00 0.00 C ATOM 1339 OG SER A 84 -1.235 14.942 -3.266 1.00 0.00 O ATOM 0 H SER A 84 -2.389 12.742 -4.761 1.00 0.00 H new ATOM 0 HA SER A 84 -0.687 14.295 -6.510 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.210 15.658 -4.562 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.438 16.081 -4.981 1.00 0.00 H new ATOM 0 HG SER A 84 -0.583 15.278 -2.616 1.00 0.00 H new ATOM 1345 N GLU A 85 1.373 13.282 -5.369 1.00 0.00 N ATOM 1346 CA GLU A 85 2.491 12.432 -4.981 1.00 0.00 C ATOM 1347 C GLU A 85 2.090 10.960 -4.854 1.00 0.00 C ATOM 1348 O GLU A 85 2.252 10.356 -3.794 1.00 0.00 O ATOM 1349 CB GLU A 85 3.055 12.930 -3.635 1.00 0.00 C ATOM 1350 CG GLU A 85 4.560 12.645 -3.538 1.00 0.00 C ATOM 1351 CD GLU A 85 4.898 11.261 -4.093 1.00 0.00 C ATOM 1352 OE1 GLU A 85 4.837 10.307 -3.339 1.00 0.00 O ATOM 1353 OE2 GLU A 85 5.214 11.180 -5.269 1.00 0.00 O ATOM 0 H GLU A 85 1.639 14.081 -5.944 1.00 0.00 H new ATOM 0 HA GLU A 85 3.246 12.495 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.875 14.000 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.533 12.440 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.113 13.406 -4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.879 12.710 -2.498 1.00 0.00 H new ATOM 1360 N PRO A 86 1.597 10.364 -5.901 1.00 0.00 N ATOM 1361 CA PRO A 86 1.202 8.931 -5.867 1.00 0.00 C ATOM 1362 C PRO A 86 2.432 8.040 -5.758 1.00 0.00 C ATOM 1363 O PRO A 86 3.501 8.400 -6.250 1.00 0.00 O ATOM 1364 CB PRO A 86 0.481 8.723 -7.203 1.00 0.00 C ATOM 1365 CG PRO A 86 1.077 9.751 -8.110 1.00 0.00 C ATOM 1366 CD PRO A 86 1.366 10.964 -7.222 1.00 0.00 C ATOM 0 HA PRO A 86 0.575 8.679 -5.012 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.638 7.715 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.595 8.860 -7.099 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.990 9.380 -8.577 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.389 10.009 -8.915 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.237 11.520 -7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.528 11.661 -7.207 1.00 0.00 H new ATOM 1374 N THR A 87 2.283 6.874 -5.130 1.00 0.00 N ATOM 1375 CA THR A 87 3.398 5.946 -4.996 1.00 0.00 C ATOM 1376 C THR A 87 3.014 4.563 -5.473 1.00 0.00 C ATOM 1377 O THR A 87 2.160 3.897 -4.891 1.00 0.00 O ATOM 1378 CB THR A 87 3.887 5.851 -3.556 1.00 0.00 C ATOM 1379 OG1 THR A 87 4.196 7.148 -3.069 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.140 4.974 -3.508 1.00 0.00 C ATOM 0 H THR A 87 1.410 6.555 -4.711 1.00 0.00 H new ATOM 0 HA THR A 87 4.204 6.338 -5.616 1.00 0.00 H new ATOM 0 HB THR A 87 3.107 5.412 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.302 7.764 -3.824 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.495 4.902 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.901 3.978 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.918 5.417 -4.130 1.00 0.00 H new ATOM 1388 N VAL A 88 3.691 4.132 -6.518 1.00 0.00 N ATOM 1389 CA VAL A 88 3.480 2.806 -7.078 1.00 0.00 C ATOM 1390 C VAL A 88 4.491 1.861 -6.455 1.00 0.00 C ATOM 1391 O VAL A 88 5.631 1.760 -6.909 1.00 0.00 O ATOM 1392 CB VAL A 88 3.661 2.836 -8.596 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.202 1.504 -9.191 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.819 3.968 -9.187 1.00 0.00 C ATOM 0 H VAL A 88 4.399 4.684 -7.002 1.00 0.00 H new ATOM 0 HA VAL A 88 2.466 2.470 -6.863 1.00 0.00 H new ATOM 0 HB VAL A 88 4.713 2.999 -8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.331 1.525 -10.273 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.797 0.693 -8.770 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.150 1.343 -8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.947 3.990 -10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.768 3.802 -8.950 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.141 4.920 -8.764 1.00 0.00 H new ATOM 1404 N TYR A 89 4.068 1.182 -5.396 1.00 0.00 N ATOM 1405 CA TYR A 89 4.943 0.247 -4.685 1.00 0.00 C ATOM 1406 C TYR A 89 4.702 -1.169 -5.197 1.00 0.00 C ATOM 1407 O TYR A 89 3.589 -1.503 -5.607 1.00 0.00 O ATOM 1408 CB TYR A 89 4.664 0.330 -3.183 1.00 0.00 C ATOM 1409 CG TYR A 89 5.528 -0.658 -2.428 1.00 0.00 C ATOM 1410 CD1 TYR A 89 6.923 -0.559 -2.487 1.00 0.00 C ATOM 1411 CD2 TYR A 89 4.932 -1.672 -1.664 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.720 -1.467 -1.783 1.00 0.00 C ATOM 1413 CE2 TYR A 89 5.732 -2.580 -0.962 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.126 -2.477 -1.021 1.00 0.00 C ATOM 1415 OH TYR A 89 7.913 -3.372 -0.325 1.00 0.00 O ATOM 0 H TYR A 89 3.128 1.258 -5.008 1.00 0.00 H new ATOM 0 HA TYR A 89 5.986 0.509 -4.864 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.860 1.341 -2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.611 0.123 -2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.384 0.219 -3.077 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.856 -1.752 -1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.796 -1.388 -1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.273 -3.361 -0.374 1.00 0.00 H new ATOM 0 HH TYR A 89 7.341 -4.008 0.153 1.00 0.00 H new ATOM 1425 N GLU A 90 5.745 -1.997 -5.200 1.00 0.00 N ATOM 1426 CA GLU A 90 5.622 -3.370 -5.696 1.00 0.00 C ATOM 1427 C GLU A 90 6.489 -4.322 -4.878 1.00 0.00 C ATOM 1428 O GLU A 90 7.639 -4.019 -4.560 1.00 0.00 O ATOM 1429 CB GLU A 90 6.022 -3.416 -7.178 1.00 0.00 C ATOM 1430 CG GLU A 90 7.228 -2.501 -7.421 1.00 0.00 C ATOM 1431 CD GLU A 90 7.625 -2.535 -8.893 1.00 0.00 C ATOM 1432 OE1 GLU A 90 7.096 -3.367 -9.610 1.00 0.00 O ATOM 1433 OE2 GLU A 90 8.441 -1.715 -9.284 1.00 0.00 O ATOM 0 H GLU A 90 6.677 -1.747 -4.869 1.00 0.00 H new ATOM 0 HA GLU A 90 4.586 -3.692 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.266 -4.438 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.184 -3.101 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.985 -1.480 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.067 -2.821 -6.803 1.00 0.00 H new ATOM 1440 N PHE A 91 5.923 -5.474 -4.530 1.00 0.00 N ATOM 1441 CA PHE A 91 6.653 -6.463 -3.737 1.00 0.00 C ATOM 1442 C PHE A 91 5.927 -7.802 -3.725 1.00 0.00 C ATOM 1443 O PHE A 91 4.718 -7.862 -3.505 1.00 0.00 O ATOM 1444 CB PHE A 91 6.820 -5.944 -2.298 1.00 0.00 C ATOM 1445 CG PHE A 91 5.514 -6.098 -1.536 1.00 0.00 C ATOM 1446 CD1 PHE A 91 4.382 -5.386 -1.943 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.440 -6.957 -0.430 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.175 -5.533 -1.250 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.232 -7.104 0.263 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.099 -6.391 -0.148 1.00 0.00 C ATOM 0 H PHE A 91 4.972 -5.746 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 91 7.633 -6.615 -4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.613 -6.496 -1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.121 -4.896 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.439 -4.722 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.315 -7.505 -0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.301 -4.983 -1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.174 -7.767 1.114 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.167 -6.504 0.386 1.00 0.00 H new ATOM 1460 N SER A 92 6.676 -8.878 -3.946 1.00 0.00 N ATOM 1461 CA SER A 92 6.097 -10.213 -3.935 1.00 0.00 C ATOM 1462 C SER A 92 6.127 -10.796 -2.528 1.00 0.00 C ATOM 1463 O SER A 92 6.683 -10.192 -1.612 1.00 0.00 O ATOM 1464 CB SER A 92 6.834 -11.132 -4.908 1.00 0.00 C ATOM 1465 OG SER A 92 8.237 -10.984 -4.735 1.00 0.00 O ATOM 0 H SER A 92 7.678 -8.850 -4.133 1.00 0.00 H new ATOM 0 HA SER A 92 5.059 -10.136 -4.257 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.544 -12.168 -4.736 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.556 -10.890 -5.934 1.00 0.00 H new ATOM 0 HG SER A 92 8.708 -11.575 -5.359 1.00 0.00 H new ATOM 1471 N MET A 93 5.509 -11.966 -2.354 1.00 0.00 N ATOM 1472 CA MET A 93 5.457 -12.613 -1.039 1.00 0.00 C ATOM 1473 C MET A 93 6.411 -13.819 -0.977 1.00 0.00 C ATOM 1474 O MET A 93 6.558 -14.541 -1.963 1.00 0.00 O ATOM 1475 CB MET A 93 4.029 -13.095 -0.769 1.00 0.00 C ATOM 1476 CG MET A 93 3.072 -11.896 -0.735 1.00 0.00 C ATOM 1477 SD MET A 93 3.475 -10.820 0.669 1.00 0.00 S ATOM 1478 CE MET A 93 2.864 -11.892 1.998 1.00 0.00 C ATOM 0 H MET A 93 5.041 -12.482 -3.099 1.00 0.00 H new ATOM 0 HA MET A 93 5.764 -11.886 -0.287 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.720 -13.797 -1.544 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.990 -13.630 0.180 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.146 -11.335 -1.667 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.042 -12.244 -0.653 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.117 -11.356 2.584 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.413 -12.786 1.566 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.694 -12.180 2.644 1.00 0.00 H new ATOM 1488 N PRO A 94 7.036 -14.069 0.160 1.00 0.00 N ATOM 1489 CA PRO A 94 7.961 -15.236 0.334 1.00 0.00 C ATOM 1490 C PRO A 94 7.163 -16.527 0.508 1.00 0.00 C ATOM 1491 O PRO A 94 5.968 -16.469 0.766 1.00 0.00 O ATOM 1492 CB PRO A 94 8.723 -14.887 1.621 1.00 0.00 C ATOM 1493 CG PRO A 94 7.759 -14.069 2.419 1.00 0.00 C ATOM 1494 CD PRO A 94 6.942 -13.271 1.404 1.00 0.00 C ATOM 0 HA PRO A 94 8.618 -15.400 -0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.022 -15.785 2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.633 -14.328 1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.114 -14.706 3.024 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.285 -13.405 3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.907 -13.156 1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.346 -12.268 1.266 1.00 0.00 H new ATOM 1502 N PRO A 95 7.780 -17.679 0.389 1.00 0.00 N ATOM 1503 CA PRO A 95 7.062 -18.979 0.570 1.00 0.00 C ATOM 1504 C PRO A 95 6.550 -19.150 2.005 1.00 0.00 C ATOM 1505 O PRO A 95 7.110 -18.586 2.946 1.00 0.00 O ATOM 1506 CB PRO A 95 8.117 -20.039 0.210 1.00 0.00 C ATOM 1507 CG PRO A 95 9.435 -19.357 0.412 1.00 0.00 C ATOM 1508 CD PRO A 95 9.206 -17.884 0.061 1.00 0.00 C ATOM 0 HA PRO A 95 6.170 -19.052 -0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.026 -20.919 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.001 -20.377 -0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.776 -19.464 1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.203 -19.795 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.852 -17.226 0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.411 -17.684 -0.991 1.00 0.00 H new ATOM 1516 N LYS A 96 5.471 -19.917 2.155 1.00 0.00 N ATOM 1517 CA LYS A 96 4.863 -20.150 3.467 1.00 0.00 C ATOM 1518 C LYS A 96 5.919 -20.245 4.574 1.00 0.00 C ATOM 1519 O LYS A 96 6.861 -21.031 4.462 1.00 0.00 O ATOM 1520 CB LYS A 96 4.063 -21.461 3.449 1.00 0.00 C ATOM 1521 CG LYS A 96 3.346 -21.696 4.811 1.00 0.00 C ATOM 1522 CD LYS A 96 1.955 -21.036 4.803 1.00 0.00 C ATOM 1523 CE LYS A 96 0.928 -21.947 4.110 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.391 -22.926 5.094 1.00 0.00 N ATOM 0 H LYS A 96 4.998 -20.389 1.384 1.00 0.00 H new ATOM 0 HA LYS A 96 4.210 -19.303 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.326 -21.430 2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.731 -22.296 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.248 -22.765 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.947 -21.284 5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.637 -20.832 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.005 -20.077 4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.116 -21.349 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.395 -22.472 3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.304 -23.543 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.170 -23.504 5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.069 -22.416 5.875 1.00 0.00 H new ATOM 1538 N PRO A 97 5.768 -19.513 5.656 1.00 0.00 N ATOM 1539 CA PRO A 97 6.719 -19.591 6.800 1.00 0.00 C ATOM 1540 C PRO A 97 6.440 -20.826 7.660 1.00 0.00 C ATOM 1541 O PRO A 97 5.299 -21.287 7.736 1.00 0.00 O ATOM 1542 CB PRO A 97 6.435 -18.303 7.564 1.00 0.00 C ATOM 1543 CG PRO A 97 4.982 -18.058 7.349 1.00 0.00 C ATOM 1544 CD PRO A 97 4.690 -18.529 5.925 1.00 0.00 C ATOM 0 HA PRO A 97 7.761 -19.685 6.495 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.667 -18.410 8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.037 -17.476 7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.381 -18.607 8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.741 -17.002 7.469 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.703 -18.984 5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.716 -17.702 5.216 1.00 0.00 H new