USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 807 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 76 LYS NZ :NH3+ 170:sc= -1.26 (180deg=-1.44) USER MOD Set 1.2: A 78 TYR OH : rot -177:sc= 1.04 USER MOD Set 2.1: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 5:sc= 0.844 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -9.51! C(o=-12!,f=-9.5!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.768 X(o=-0.77,f=-1.3!) USER MOD Single : A 18 ASN : amide:sc= -2.33 X(o=-2.3,f=-2.6) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0.521 (180deg=0.501) USER MOD Single : A 40 TYR OH : rot 30:sc= -0.791 USER MOD Single : A 43 CYS SG : rot 81:sc= -3.6! USER MOD Single : A 44 SER OG : rot -18:sc= 1.15 USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= -0.0126 (180deg=-0.0231) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 50:sc= -1.19 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.106) USER MOD Single : A 50 MET CE :methyl -147:sc= -10.8! (180deg=-16.1!) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.312) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -140:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl 146:sc= -0.377 (180deg=-1.89!) USER MOD Single : A 74 THR OG1 : rot -92:sc= 0.414 USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0642) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 46:sc= 0.108 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0569 USER MOD Single : A 86 THR OG1 : rot 29:sc= 0.199 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0244 F(o=-0.59,f=-0.024) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 96 LYS NZ :NH3+ -165:sc= 0.512 (180deg=0.433) USER MOD Single : A 97 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot -15:sc= -4.02! USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 5.255 9.129 -2.065 1.00 0.00 N ATOM 12 CA VAL A 2 4.097 8.295 -1.784 1.00 0.00 C ATOM 13 C VAL A 2 2.835 9.105 -2.060 1.00 0.00 C ATOM 14 O VAL A 2 2.793 10.306 -1.795 1.00 0.00 O ATOM 15 CB VAL A 2 4.113 7.757 -0.332 1.00 0.00 C ATOM 16 CG1 VAL A 2 3.039 6.696 -0.143 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.489 7.197 0.005 1.00 0.00 C ATOM 0 HA VAL A 2 4.121 7.421 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 2 3.898 8.581 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.066 6.330 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.060 7.129 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.221 5.868 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.488 6.822 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.728 6.383 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.236 7.985 -0.092 1.00 0.00 H new ATOM 27 N LYS A 3 1.827 8.465 -2.640 1.00 0.00 N ATOM 28 CA LYS A 3 0.598 9.161 -3.001 1.00 0.00 C ATOM 29 C LYS A 3 -0.497 8.969 -1.973 1.00 0.00 C ATOM 30 O LYS A 3 -0.706 7.875 -1.459 1.00 0.00 O ATOM 31 CB LYS A 3 0.104 8.689 -4.368 1.00 0.00 C ATOM 32 CG LYS A 3 -0.054 9.828 -5.350 1.00 0.00 C ATOM 33 CD LYS A 3 -1.197 9.595 -6.329 1.00 0.00 C ATOM 34 CE LYS A 3 -1.551 10.867 -7.082 1.00 0.00 C ATOM 35 NZ LYS A 3 -2.784 10.704 -7.901 1.00 0.00 N ATOM 0 H LYS A 3 1.836 7.471 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 3 0.835 10.224 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.805 7.959 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.853 8.180 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.231 10.754 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.875 9.958 -5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.917 8.816 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.073 9.234 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.692 11.682 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.720 11.149 -7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.991 11.594 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.641 9.944 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.583 10.460 -7.281 1.00 0.00 H new ATOM 49 N ILE A 4 -1.213 10.050 -1.706 1.00 0.00 N ATOM 50 CA ILE A 4 -2.322 10.020 -0.767 1.00 0.00 C ATOM 51 C ILE A 4 -3.614 10.328 -1.509 1.00 0.00 C ATOM 52 O ILE A 4 -3.832 11.450 -1.967 1.00 0.00 O ATOM 53 CB ILE A 4 -2.127 11.037 0.379 1.00 0.00 C ATOM 54 CG1 ILE A 4 -3.325 11.012 1.333 1.00 0.00 C ATOM 55 CG2 ILE A 4 -1.919 12.440 -0.176 1.00 0.00 C ATOM 56 CD1 ILE A 4 -3.501 9.693 2.052 1.00 0.00 C ATOM 0 H ILE A 4 -1.044 10.963 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.367 9.025 -0.325 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.235 10.752 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.207 11.805 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.232 11.233 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.784 13.141 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.034 12.452 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.791 12.732 -0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.368 9.750 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.651 8.898 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.611 9.479 2.643 1.00 0.00 H new ATOM 68 N VAL A 5 -4.460 9.320 -1.636 1.00 0.00 N ATOM 69 CA VAL A 5 -5.728 9.468 -2.336 1.00 0.00 C ATOM 70 C VAL A 5 -6.900 9.391 -1.355 1.00 0.00 C ATOM 71 O VAL A 5 -7.051 8.408 -0.628 1.00 0.00 O ATOM 72 CB VAL A 5 -5.856 8.416 -3.472 1.00 0.00 C ATOM 73 CG1 VAL A 5 -5.153 7.115 -3.107 1.00 0.00 C ATOM 74 CG2 VAL A 5 -7.304 8.145 -3.831 1.00 0.00 C ATOM 0 H VAL A 5 -4.292 8.386 -1.262 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.755 10.454 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.365 8.840 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.262 6.401 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.095 7.310 -2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.599 6.702 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.348 7.404 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.831 7.767 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.775 9.069 -4.167 1.00 0.00 H new ATOM 84 N THR A 6 -7.710 10.451 -1.319 1.00 0.00 N ATOM 85 CA THR A 6 -8.847 10.520 -0.401 1.00 0.00 C ATOM 86 C THR A 6 -10.172 10.139 -1.061 1.00 0.00 C ATOM 87 O THR A 6 -11.226 10.226 -0.430 1.00 0.00 O ATOM 88 CB THR A 6 -8.985 11.930 0.203 1.00 0.00 C ATOM 89 OG1 THR A 6 -10.203 12.025 0.953 1.00 0.00 O ATOM 90 CG2 THR A 6 -8.972 12.990 -0.888 1.00 0.00 C ATOM 0 H THR A 6 -7.599 11.272 -1.914 1.00 0.00 H new ATOM 0 HA THR A 6 -8.636 9.793 0.383 1.00 0.00 H new ATOM 0 HB THR A 6 -8.136 12.102 0.865 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.637 11.147 0.984 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.071 13.977 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.033 12.935 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.803 12.819 -1.572 1.00 0.00 H new ATOM 98 N SER A 7 -10.129 9.708 -2.317 1.00 0.00 N ATOM 99 CA SER A 7 -11.348 9.311 -3.017 1.00 0.00 C ATOM 100 C SER A 7 -11.370 7.801 -3.223 1.00 0.00 C ATOM 101 O SER A 7 -10.320 7.160 -3.276 1.00 0.00 O ATOM 102 CB SER A 7 -11.463 10.031 -4.363 1.00 0.00 C ATOM 103 OG SER A 7 -12.797 10.009 -4.841 1.00 0.00 O ATOM 0 H SER A 7 -9.274 9.625 -2.867 1.00 0.00 H new ATOM 0 HA SER A 7 -12.202 9.596 -2.403 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.128 11.063 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.805 9.556 -5.090 1.00 0.00 H new ATOM 0 HG SER A 7 -12.844 10.477 -5.701 1.00 0.00 H new ATOM 109 N GLN A 8 -12.567 7.232 -3.323 1.00 0.00 N ATOM 110 CA GLN A 8 -12.706 5.794 -3.504 1.00 0.00 C ATOM 111 C GLN A 8 -12.288 5.361 -4.910 1.00 0.00 C ATOM 112 O GLN A 8 -11.504 4.427 -5.072 1.00 0.00 O ATOM 113 CB GLN A 8 -14.154 5.375 -3.214 1.00 0.00 C ATOM 114 CG GLN A 8 -14.643 4.192 -4.033 1.00 0.00 C ATOM 115 CD GLN A 8 -13.695 3.004 -4.004 1.00 0.00 C ATOM 116 OE1 GLN A 8 -12.815 2.960 -3.009 1.00 0.00 O flip ATOM 117 NE2 GLN A 8 -13.751 2.134 -4.873 1.00 0.00 N flip ATOM 0 H GLN A 8 -13.449 7.742 -3.282 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.040 5.294 -2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.243 5.130 -2.156 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.809 6.226 -3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.618 3.879 -3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.785 4.509 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.441 2.204 -5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.107 1.343 -4.845 1.00 0.00 H new ATOM 126 N SER A 9 -12.815 6.040 -5.919 1.00 0.00 N ATOM 127 CA SER A 9 -12.492 5.717 -7.303 1.00 0.00 C ATOM 128 C SER A 9 -11.024 5.995 -7.587 1.00 0.00 C ATOM 129 O SER A 9 -10.388 5.278 -8.352 1.00 0.00 O ATOM 130 CB SER A 9 -13.372 6.523 -8.261 1.00 0.00 C ATOM 131 OG SER A 9 -13.145 7.914 -8.117 1.00 0.00 O ATOM 0 H SER A 9 -13.467 6.816 -5.807 1.00 0.00 H new ATOM 0 HA SER A 9 -12.684 4.655 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.166 6.223 -9.288 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.422 6.301 -8.069 1.00 0.00 H new ATOM 0 HG SER A 9 -13.718 8.405 -8.742 1.00 0.00 H new ATOM 137 N GLU A 10 -10.491 7.037 -6.962 1.00 0.00 N ATOM 138 CA GLU A 10 -9.093 7.400 -7.150 1.00 0.00 C ATOM 139 C GLU A 10 -8.179 6.271 -6.687 1.00 0.00 C ATOM 140 O GLU A 10 -7.190 5.951 -7.346 1.00 0.00 O ATOM 141 CB GLU A 10 -8.770 8.685 -6.388 1.00 0.00 C ATOM 142 CG GLU A 10 -9.338 9.936 -7.037 1.00 0.00 C ATOM 143 CD GLU A 10 -8.394 10.546 -8.055 1.00 0.00 C ATOM 144 OE1 GLU A 10 -7.355 11.103 -7.642 1.00 0.00 O ATOM 145 OE2 GLU A 10 -8.695 10.468 -9.265 1.00 0.00 O ATOM 0 H GLU A 10 -11.004 7.644 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.923 7.570 -8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.159 8.603 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.688 8.787 -6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.282 9.691 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.559 10.673 -6.265 1.00 0.00 H new ATOM 152 N PHE A 11 -8.522 5.663 -5.555 1.00 0.00 N ATOM 153 CA PHE A 11 -7.736 4.563 -5.013 1.00 0.00 C ATOM 154 C PHE A 11 -7.800 3.367 -5.943 1.00 0.00 C ATOM 155 O PHE A 11 -6.777 2.804 -6.321 1.00 0.00 O ATOM 156 CB PHE A 11 -8.282 4.180 -3.636 1.00 0.00 C ATOM 157 CG PHE A 11 -8.016 2.760 -3.243 1.00 0.00 C ATOM 158 CD1 PHE A 11 -6.723 2.278 -3.161 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.067 1.911 -2.957 1.00 0.00 C ATOM 160 CE1 PHE A 11 -6.485 0.969 -2.797 1.00 0.00 C ATOM 161 CE2 PHE A 11 -8.838 0.604 -2.595 1.00 0.00 C ATOM 162 CZ PHE A 11 -7.547 0.131 -2.515 1.00 0.00 C ATOM 0 H PHE A 11 -9.338 5.914 -4.997 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.697 4.877 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.844 4.840 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.358 4.353 -3.623 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.893 2.932 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.081 2.278 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.472 0.600 -2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.669 -0.050 -2.374 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.365 -0.895 -2.232 1.00 0.00 H new ATOM 172 N ASP A 12 -9.015 2.998 -6.308 1.00 0.00 N ATOM 173 CA ASP A 12 -9.245 1.872 -7.202 1.00 0.00 C ATOM 174 C ASP A 12 -8.757 2.183 -8.610 1.00 0.00 C ATOM 175 O ASP A 12 -8.339 1.290 -9.346 1.00 0.00 O ATOM 176 CB ASP A 12 -10.732 1.553 -7.247 1.00 0.00 C ATOM 177 CG ASP A 12 -11.211 0.829 -6.004 1.00 0.00 C ATOM 178 OD1 ASP A 12 -11.334 1.483 -4.946 1.00 0.00 O ATOM 179 OD2 ASP A 12 -11.463 -0.391 -6.087 1.00 0.00 O ATOM 0 H ASP A 12 -9.866 3.466 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.689 1.015 -6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.295 2.479 -7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.942 0.940 -8.124 1.00 0.00 H new ATOM 184 N SER A 13 -8.823 3.456 -8.981 1.00 0.00 N ATOM 185 CA SER A 13 -8.398 3.882 -10.306 1.00 0.00 C ATOM 186 C SER A 13 -6.908 3.700 -10.470 1.00 0.00 C ATOM 187 O SER A 13 -6.438 3.230 -11.506 1.00 0.00 O ATOM 188 CB SER A 13 -8.766 5.344 -10.552 1.00 0.00 C ATOM 189 OG SER A 13 -8.443 5.737 -11.874 1.00 0.00 O ATOM 0 H SER A 13 -9.166 4.208 -8.384 1.00 0.00 H new ATOM 0 HA SER A 13 -8.916 3.261 -11.037 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.832 5.488 -10.377 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.238 5.980 -9.841 1.00 0.00 H new ATOM 0 HG SER A 13 -8.690 6.676 -12.006 1.00 0.00 H new ATOM 195 N ILE A 14 -6.164 4.066 -9.440 1.00 0.00 N ATOM 196 CA ILE A 14 -4.720 3.926 -9.485 1.00 0.00 C ATOM 197 C ILE A 14 -4.337 2.465 -9.681 1.00 0.00 C ATOM 198 O ILE A 14 -3.367 2.142 -10.367 1.00 0.00 O ATOM 199 CB ILE A 14 -4.075 4.446 -8.191 1.00 0.00 C ATOM 200 CG1 ILE A 14 -4.294 5.953 -8.067 1.00 0.00 C ATOM 201 CG2 ILE A 14 -2.588 4.118 -8.160 1.00 0.00 C ATOM 202 CD1 ILE A 14 -4.603 6.401 -6.661 1.00 0.00 C ATOM 0 H ILE A 14 -6.531 4.458 -8.573 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.355 4.517 -10.325 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.548 3.951 -7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.402 6.472 -8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.113 6.248 -8.723 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.151 4.495 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.453 3.038 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.094 4.586 -9.012 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.747 7.481 -6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.512 5.909 -6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.774 6.137 -6.004 1.00 0.00 H new ATOM 214 N ILE A 15 -5.104 1.599 -9.044 1.00 0.00 N ATOM 215 CA ILE A 15 -4.866 0.158 -9.099 1.00 0.00 C ATOM 216 C ILE A 15 -4.932 -0.399 -10.529 1.00 0.00 C ATOM 217 O ILE A 15 -4.127 -1.249 -10.911 1.00 0.00 O ATOM 218 CB ILE A 15 -5.883 -0.593 -8.210 1.00 0.00 C ATOM 219 CG1 ILE A 15 -5.977 0.089 -6.861 1.00 0.00 C ATOM 220 CG2 ILE A 15 -5.467 -2.042 -8.009 1.00 0.00 C ATOM 221 CD1 ILE A 15 -4.655 0.132 -6.148 1.00 0.00 C ATOM 0 H ILE A 15 -5.907 1.867 -8.475 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.854 -0.003 -8.726 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.852 -0.575 -8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.347 1.105 -6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.704 -0.436 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.200 -2.547 -7.380 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.412 -2.542 -8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.490 -2.077 -7.527 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.776 0.631 -5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.295 -0.884 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.933 0.681 -6.753 1.00 0.00 H new ATOM 233 N SER A 16 -5.919 0.060 -11.296 1.00 0.00 N ATOM 234 CA SER A 16 -6.140 -0.412 -12.675 1.00 0.00 C ATOM 235 C SER A 16 -5.328 0.336 -13.747 1.00 0.00 C ATOM 236 O SER A 16 -5.111 -0.188 -14.839 1.00 0.00 O ATOM 237 CB SER A 16 -7.631 -0.323 -13.011 1.00 0.00 C ATOM 238 OG SER A 16 -8.174 -1.606 -13.271 1.00 0.00 O ATOM 0 H SER A 16 -6.588 0.765 -10.988 1.00 0.00 H new ATOM 0 HA SER A 16 -5.787 -1.443 -12.698 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.166 0.141 -12.182 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.773 0.318 -13.881 1.00 0.00 H new ATOM 0 HG SER A 16 -9.127 -1.521 -13.481 1.00 0.00 H new ATOM 244 N GLN A 17 -4.934 1.570 -13.459 1.00 0.00 N ATOM 245 CA GLN A 17 -4.206 2.405 -14.431 1.00 0.00 C ATOM 246 C GLN A 17 -2.699 2.145 -14.447 1.00 0.00 C ATOM 247 O GLN A 17 -1.935 2.935 -15.001 1.00 0.00 O ATOM 248 CB GLN A 17 -4.467 3.880 -14.144 1.00 0.00 C ATOM 249 CG GLN A 17 -5.360 4.563 -15.165 1.00 0.00 C ATOM 250 CD GLN A 17 -6.422 3.651 -15.756 1.00 0.00 C ATOM 251 OE1 GLN A 17 -6.193 2.984 -16.764 1.00 0.00 O ATOM 252 NE2 GLN A 17 -7.593 3.621 -15.128 1.00 0.00 N ATOM 0 H GLN A 17 -5.102 2.024 -12.561 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.583 2.134 -15.417 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.924 3.972 -13.159 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.513 4.405 -14.103 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.848 5.417 -14.694 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.741 4.955 -15.972 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.740 4.191 -14.295 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.345 3.028 -15.479 1.00 0.00 H new ATOM 261 N ASN A 18 -2.275 1.055 -13.834 1.00 0.00 N ATOM 262 CA ASN A 18 -0.859 0.712 -13.774 1.00 0.00 C ATOM 263 C ASN A 18 -0.659 -0.801 -13.712 1.00 0.00 C ATOM 264 O ASN A 18 -1.548 -1.538 -13.286 1.00 0.00 O ATOM 265 CB ASN A 18 -0.218 1.386 -12.559 1.00 0.00 C ATOM 266 CG ASN A 18 -0.508 2.873 -12.508 1.00 0.00 C ATOM 267 OD1 ASN A 18 0.319 3.693 -12.908 1.00 0.00 O ATOM 268 ND2 ASN A 18 -1.689 3.230 -12.017 1.00 0.00 N ATOM 0 H ASN A 18 -2.890 0.388 -13.368 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.377 1.073 -14.683 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.587 0.915 -11.648 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.860 1.229 -12.586 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.941 4.217 -11.960 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.345 2.517 -11.697 1.00 0.00 H new ATOM 275 N GLU A 19 0.515 -1.257 -14.148 1.00 0.00 N ATOM 276 CA GLU A 19 0.832 -2.684 -14.150 1.00 0.00 C ATOM 277 C GLU A 19 1.067 -3.196 -12.744 1.00 0.00 C ATOM 278 O GLU A 19 0.507 -4.219 -12.357 1.00 0.00 O ATOM 279 CB GLU A 19 2.060 -2.961 -15.019 1.00 0.00 C ATOM 280 CG GLU A 19 2.185 -4.414 -15.447 1.00 0.00 C ATOM 281 CD GLU A 19 3.069 -4.588 -16.665 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.305 -4.645 -16.498 1.00 0.00 O ATOM 283 OE2 GLU A 19 2.526 -4.668 -17.787 1.00 0.00 O ATOM 0 H GLU A 19 1.261 -0.659 -14.504 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.025 -3.212 -14.568 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.016 -2.331 -15.908 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.956 -2.674 -14.469 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.591 -4.999 -14.621 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.193 -4.812 -15.662 1.00 0.00 H new ATOM 290 N LEU A 20 1.883 -2.493 -11.972 1.00 0.00 N ATOM 291 CA LEU A 20 2.147 -2.913 -10.615 1.00 0.00 C ATOM 292 C LEU A 20 1.888 -1.757 -9.675 1.00 0.00 C ATOM 293 O LEU A 20 2.376 -0.647 -9.894 1.00 0.00 O ATOM 294 CB LEU A 20 3.597 -3.381 -10.500 1.00 0.00 C ATOM 295 CG LEU A 20 3.885 -4.562 -9.562 1.00 0.00 C ATOM 296 CD1 LEU A 20 2.633 -5.371 -9.230 1.00 0.00 C ATOM 297 CD2 LEU A 20 4.934 -5.472 -10.185 1.00 0.00 C ATOM 0 H LEU A 20 2.365 -1.642 -12.262 1.00 0.00 H new ATOM 0 HA LEU A 20 1.490 -3.740 -10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.944 -3.650 -11.497 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.199 -2.534 -10.171 1.00 0.00 H new ATOM 0 HG LEU A 20 4.256 -4.144 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.897 -6.193 -8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.903 -4.727 -8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.205 -5.772 -10.149 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.134 -6.308 -9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.567 -5.851 -11.139 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.853 -4.909 -10.348 1.00 0.00 H new ATOM 309 N VAL A 21 1.107 -2.004 -8.635 1.00 0.00 N ATOM 310 CA VAL A 21 0.794 -0.944 -7.692 1.00 0.00 C ATOM 311 C VAL A 21 0.869 -1.410 -6.258 1.00 0.00 C ATOM 312 O VAL A 21 0.214 -2.375 -5.871 1.00 0.00 O ATOM 313 CB VAL A 21 -0.601 -0.325 -7.958 1.00 0.00 C ATOM 314 CG1 VAL A 21 -0.729 1.017 -7.256 1.00 0.00 C ATOM 315 CG2 VAL A 21 -0.844 -0.173 -9.452 1.00 0.00 C ATOM 0 H VAL A 21 0.686 -2.909 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 21 1.555 -0.179 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.358 -0.998 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.715 1.438 -7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.601 0.880 -6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.037 1.697 -7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.829 0.263 -9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.082 0.478 -9.880 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.796 -1.151 -9.930 1.00 0.00 H new ATOM 325 N ILE A 22 1.637 -0.691 -5.455 1.00 0.00 N ATOM 326 CA ILE A 22 1.742 -1.030 -4.044 1.00 0.00 C ATOM 327 C ILE A 22 1.076 0.066 -3.239 1.00 0.00 C ATOM 328 O ILE A 22 1.386 1.247 -3.385 1.00 0.00 O ATOM 329 CB ILE A 22 3.208 -1.222 -3.589 1.00 0.00 C ATOM 330 CG1 ILE A 22 3.318 -1.224 -2.057 1.00 0.00 C ATOM 331 CG2 ILE A 22 4.105 -0.151 -4.190 1.00 0.00 C ATOM 332 CD1 ILE A 22 3.938 -2.487 -1.498 1.00 0.00 C ATOM 0 H ILE A 22 2.187 0.116 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 22 1.243 -1.985 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 22 3.544 -2.194 -3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.913 -0.367 -1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.324 -1.097 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.131 -0.306 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.064 -0.211 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.763 0.833 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.984 -2.419 -0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.331 -3.347 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.945 -2.605 -1.897 1.00 0.00 H new ATOM 344 N VAL A 23 0.132 -0.342 -2.410 1.00 0.00 N ATOM 345 CA VAL A 23 -0.617 0.591 -1.597 1.00 0.00 C ATOM 346 C VAL A 23 -0.689 0.111 -0.167 1.00 0.00 C ATOM 347 O VAL A 23 -0.811 -1.085 0.096 1.00 0.00 O ATOM 348 CB VAL A 23 -2.043 0.796 -2.154 1.00 0.00 C ATOM 349 CG1 VAL A 23 -2.713 -0.539 -2.417 1.00 0.00 C ATOM 350 CG2 VAL A 23 -2.884 1.645 -1.210 1.00 0.00 C ATOM 0 H VAL A 23 -0.133 -1.319 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.095 1.547 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.960 1.330 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.716 -0.372 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.129 -1.102 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.776 -1.104 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.883 1.773 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.956 1.150 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.416 2.621 -1.084 1.00 0.00 H new ATOM 360 N ASP A 24 -0.607 1.048 0.755 1.00 0.00 N ATOM 361 CA ASP A 24 -0.657 0.712 2.157 1.00 0.00 C ATOM 362 C ASP A 24 -1.972 1.113 2.785 1.00 0.00 C ATOM 363 O ASP A 24 -2.229 2.294 3.010 1.00 0.00 O ATOM 364 CB ASP A 24 0.478 1.392 2.919 1.00 0.00 C ATOM 365 CG ASP A 24 0.457 2.899 2.764 1.00 0.00 C ATOM 366 OD1 ASP A 24 0.275 3.375 1.625 1.00 0.00 O ATOM 367 OD2 ASP A 24 0.626 3.602 3.782 1.00 0.00 O ATOM 0 H ASP A 24 -0.506 2.043 0.557 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.551 -0.371 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.406 1.137 3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.433 1.006 2.563 1.00 0.00 H new ATOM 372 N PHE A 25 -2.763 0.121 3.148 1.00 0.00 N ATOM 373 CA PHE A 25 -3.995 0.387 3.848 1.00 0.00 C ATOM 374 C PHE A 25 -3.542 0.502 5.285 1.00 0.00 C ATOM 375 O PHE A 25 -3.002 -0.455 5.842 1.00 0.00 O ATOM 376 CB PHE A 25 -4.979 -0.767 3.625 1.00 0.00 C ATOM 377 CG PHE A 25 -5.176 -1.086 2.161 1.00 0.00 C ATOM 378 CD1 PHE A 25 -4.234 -1.829 1.460 1.00 0.00 C ATOM 379 CD2 PHE A 25 -6.293 -0.627 1.482 1.00 0.00 C ATOM 380 CE1 PHE A 25 -4.404 -2.107 0.113 1.00 0.00 C ATOM 381 CE2 PHE A 25 -6.467 -0.899 0.135 1.00 0.00 C ATOM 382 CZ PHE A 25 -5.520 -1.642 -0.554 1.00 0.00 C ATOM 0 H PHE A 25 -2.573 -0.865 2.970 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.526 1.279 3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.615 -1.655 4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.941 -0.511 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.357 -2.195 1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.038 -0.050 2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.663 -2.688 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.342 -0.532 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.654 -1.855 -1.604 1.00 0.00 H new ATOM 392 N PHE A 26 -3.634 1.702 5.848 1.00 0.00 N ATOM 393 CA PHE A 26 -3.086 1.927 7.170 1.00 0.00 C ATOM 394 C PHE A 26 -4.062 2.869 8.052 1.00 0.00 C ATOM 395 O PHE A 26 -5.068 3.302 7.488 1.00 0.00 O ATOM 396 CB PHE A 26 -1.718 2.617 7.036 1.00 0.00 C ATOM 397 CG PHE A 26 -1.836 4.060 6.595 1.00 0.00 C ATOM 398 CD1 PHE A 26 -2.340 4.383 5.337 1.00 0.00 C ATOM 399 CD2 PHE A 26 -1.472 5.092 7.446 1.00 0.00 C ATOM 400 CE1 PHE A 26 -2.473 5.702 4.939 1.00 0.00 C ATOM 401 CE2 PHE A 26 -1.605 6.414 7.056 1.00 0.00 C ATOM 402 CZ PHE A 26 -2.106 6.719 5.801 1.00 0.00 C ATOM 0 H PHE A 26 -4.074 2.515 5.417 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.985 0.964 7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.198 2.575 7.993 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.108 2.070 6.317 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.631 3.592 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.080 4.862 8.426 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.862 5.936 3.959 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.318 7.207 7.730 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.210 7.750 5.496 1.00 0.00 H new ATOM 412 N ALA A 27 -3.810 3.271 9.400 1.00 0.00 N ATOM 413 CA ALA A 27 -4.722 4.159 10.099 1.00 0.00 C ATOM 414 C ALA A 27 -3.870 5.072 11.037 1.00 0.00 C ATOM 415 O ALA A 27 -2.859 4.646 11.593 1.00 0.00 O ATOM 416 CB ALA A 27 -5.841 3.323 10.802 1.00 0.00 C ATOM 0 H ALA A 27 -3.002 2.974 9.946 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.264 4.823 9.426 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.522 3.994 11.325 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.394 2.754 10.055 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.387 2.637 11.517 1.00 0.00 H new ATOM 422 N GLU A 28 -4.251 6.342 11.091 1.00 0.00 N ATOM 423 CA GLU A 28 -3.548 7.470 11.839 1.00 0.00 C ATOM 424 C GLU A 28 -3.176 7.378 13.459 1.00 0.00 C ATOM 425 O GLU A 28 -2.662 8.397 13.922 1.00 0.00 O ATOM 426 CB GLU A 28 -4.548 8.639 11.820 1.00 0.00 C ATOM 427 CG GLU A 28 -5.570 8.602 10.696 1.00 0.00 C ATOM 428 CD GLU A 28 -6.281 9.927 10.512 1.00 0.00 C ATOM 429 OE1 GLU A 28 -7.274 10.173 11.229 1.00 0.00 O ATOM 430 OE2 GLU A 28 -5.845 10.720 9.652 1.00 0.00 O ATOM 0 H GLU A 28 -5.088 6.667 10.607 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.585 7.508 11.329 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.079 8.656 12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.989 9.572 11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.072 8.329 9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.305 7.825 10.904 1.00 0.00 H new ATOM 437 N TRP A 29 -3.486 6.327 14.394 1.00 0.00 N ATOM 438 CA TRP A 29 -3.218 6.474 15.887 1.00 0.00 C ATOM 439 C TRP A 29 -2.148 5.373 16.329 1.00 0.00 C ATOM 440 O TRP A 29 -1.956 5.234 17.538 1.00 0.00 O ATOM 441 CB TRP A 29 -4.729 6.366 16.552 1.00 0.00 C ATOM 442 CG TRP A 29 -5.843 5.396 15.910 1.00 0.00 C ATOM 443 CD1 TRP A 29 -7.052 5.612 15.052 1.00 0.00 C ATOM 444 CD2 TRP A 29 -5.924 3.988 16.230 1.00 0.00 C ATOM 445 NE1 TRP A 29 -7.611 4.388 14.758 1.00 0.00 N ATOM 446 CE2 TRP A 29 -6.969 3.406 15.458 1.00 0.00 C ATOM 447 CE3 TRP A 29 -5.162 3.140 17.055 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -7.246 2.041 15.489 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -5.461 1.790 17.089 1.00 0.00 C ATOM 450 CH2 TRP A 29 -6.482 1.252 16.301 1.00 0.00 C ATOM 0 H TRP A 29 -3.897 5.432 14.127 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.759 7.406 16.217 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.601 6.064 17.591 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.148 7.372 16.562 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.424 6.570 14.719 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.388 4.237 14.114 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.355 3.538 17.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.040 1.620 14.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.894 1.139 17.738 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.671 0.189 16.335 1.00 0.00 H new ATOM 461 N CYS A 30 -1.443 4.518 15.408 1.00 0.00 N ATOM 462 CA CYS A 30 -0.527 3.512 15.926 1.00 0.00 C ATOM 463 C CYS A 30 0.930 3.903 15.698 1.00 0.00 C ATOM 464 O CYS A 30 1.250 4.640 14.763 1.00 0.00 O ATOM 465 CB CYS A 30 -0.811 2.159 15.240 1.00 0.00 C ATOM 466 SG CYS A 30 -1.849 2.263 13.732 1.00 0.00 S ATOM 0 H CYS A 30 -1.528 4.553 14.392 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.687 3.432 17.001 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.139 1.694 14.978 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.301 1.500 15.957 1.00 0.00 H new ATOM 471 N GLY A 31 1.812 3.381 16.550 1.00 0.00 N ATOM 472 CA GLY A 31 3.230 3.658 16.416 1.00 0.00 C ATOM 473 C GLY A 31 3.824 3.034 15.163 1.00 0.00 C ATOM 474 O GLY A 31 4.507 3.716 14.400 1.00 0.00 O ATOM 0 H GLY A 31 1.567 2.771 17.330 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.387 4.736 16.391 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.756 3.279 17.292 1.00 0.00 H new ATOM 478 N PRO A 32 3.564 1.735 14.906 1.00 0.00 N ATOM 479 CA PRO A 32 4.079 1.045 13.714 1.00 0.00 C ATOM 480 C PRO A 32 3.558 1.654 12.432 1.00 0.00 C ATOM 481 O PRO A 32 4.318 1.899 11.495 1.00 0.00 O ATOM 482 CB PRO A 32 3.538 -0.375 13.845 1.00 0.00 C ATOM 483 CG PRO A 32 2.371 -0.242 14.766 1.00 0.00 C ATOM 484 CD PRO A 32 2.751 0.832 15.738 1.00 0.00 C ATOM 0 HA PRO A 32 5.166 1.106 13.664 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.237 -0.777 12.877 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.290 -1.051 14.251 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.467 0.026 14.219 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.166 -1.182 15.279 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.876 1.336 16.150 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.317 0.436 16.581 1.00 0.00 H new ATOM 492 N CYS A 33 2.250 1.895 12.388 1.00 0.00 N ATOM 493 CA CYS A 33 1.643 2.467 11.198 1.00 0.00 C ATOM 494 C CYS A 33 2.428 3.702 10.743 1.00 0.00 C ATOM 495 O CYS A 33 2.872 3.778 9.598 1.00 0.00 O ATOM 496 CB CYS A 33 0.180 2.805 11.496 1.00 0.00 C ATOM 497 SG CYS A 33 -0.735 1.417 12.257 1.00 0.00 S ATOM 0 H CYS A 33 1.602 1.705 13.152 1.00 0.00 H new ATOM 0 HA CYS A 33 1.672 1.746 10.381 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.141 3.667 12.162 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.316 3.095 10.570 1.00 0.00 H new ATOM 502 N LYS A 34 2.632 4.642 11.657 1.00 0.00 N ATOM 503 CA LYS A 34 3.410 5.846 11.367 1.00 0.00 C ATOM 504 C LYS A 34 4.894 5.515 11.161 1.00 0.00 C ATOM 505 O LYS A 34 5.589 6.159 10.378 1.00 0.00 O ATOM 506 CB LYS A 34 3.253 6.864 12.500 1.00 0.00 C ATOM 507 CG LYS A 34 2.631 8.179 12.056 1.00 0.00 C ATOM 508 CD LYS A 34 1.215 8.340 12.592 1.00 0.00 C ATOM 509 CE LYS A 34 1.101 9.540 13.519 1.00 0.00 C ATOM 510 NZ LYS A 34 0.141 9.295 14.630 1.00 0.00 N ATOM 0 H LYS A 34 2.269 4.596 12.609 1.00 0.00 H new ATOM 0 HA LYS A 34 3.027 6.277 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.637 6.428 13.286 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.232 7.064 12.936 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.248 9.009 12.402 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.616 8.225 10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.521 8.455 11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.923 7.437 13.128 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.082 9.774 13.932 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.780 10.411 12.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.002 10.174 15.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.770 8.981 14.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.519 8.559 15.260 1.00 0.00 H new ATOM 524 N ARG A 35 5.363 4.525 11.916 1.00 0.00 N ATOM 525 CA ARG A 35 6.765 4.091 11.900 1.00 0.00 C ATOM 526 C ARG A 35 7.162 3.397 10.603 1.00 0.00 C ATOM 527 O ARG A 35 8.338 3.380 10.239 1.00 0.00 O ATOM 528 CB ARG A 35 7.036 3.154 13.078 1.00 0.00 C ATOM 529 CG ARG A 35 8.489 2.714 13.185 1.00 0.00 C ATOM 530 CD ARG A 35 9.080 3.054 14.543 1.00 0.00 C ATOM 531 NE ARG A 35 8.881 4.458 14.891 1.00 0.00 N ATOM 532 CZ ARG A 35 9.382 5.030 15.983 1.00 0.00 C ATOM 533 NH1 ARG A 35 10.112 4.322 16.836 1.00 0.00 N ATOM 534 NH2 ARG A 35 9.154 6.314 16.224 1.00 0.00 N ATOM 0 H ARG A 35 4.779 3.995 12.563 1.00 0.00 H new ATOM 0 HA ARG A 35 7.370 4.994 11.982 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.747 3.654 14.003 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.404 2.271 12.982 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.557 1.639 13.017 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.074 3.197 12.402 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.623 2.423 15.305 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.146 2.829 14.541 1.00 0.00 H new ATOM 0 HE ARG A 35 8.325 5.035 14.260 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.292 3.334 16.656 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.494 4.766 17.671 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.594 6.864 15.572 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.538 6.752 17.061 1.00 0.00 H new ATOM 548 N ILE A 36 6.197 2.800 9.927 1.00 0.00 N ATOM 549 CA ILE A 36 6.469 2.086 8.697 1.00 0.00 C ATOM 550 C ILE A 36 6.517 3.036 7.503 1.00 0.00 C ATOM 551 O ILE A 36 7.028 2.681 6.443 1.00 0.00 O ATOM 552 CB ILE A 36 5.425 0.979 8.443 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.811 0.147 7.219 1.00 0.00 C ATOM 554 CG2 ILE A 36 4.033 1.560 8.269 1.00 0.00 C ATOM 555 CD1 ILE A 36 7.216 -0.405 7.276 1.00 0.00 C ATOM 0 H ILE A 36 5.217 2.797 10.211 1.00 0.00 H new ATOM 0 HA ILE A 36 7.447 1.619 8.811 1.00 0.00 H new ATOM 0 HB ILE A 36 5.411 0.330 9.318 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.109 -0.681 7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.708 0.763 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.322 0.753 8.092 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.750 2.102 9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.027 2.242 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.417 -0.983 6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.928 0.418 7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.319 -1.048 8.150 1.00 0.00 H new ATOM 567 N ALA A 37 5.990 4.249 7.685 1.00 0.00 N ATOM 568 CA ALA A 37 5.979 5.250 6.622 1.00 0.00 C ATOM 569 C ALA A 37 7.399 5.651 6.205 1.00 0.00 C ATOM 570 O ALA A 37 7.718 5.675 5.016 1.00 0.00 O ATOM 571 CB ALA A 37 5.195 6.475 7.067 1.00 0.00 C ATOM 0 H ALA A 37 5.566 4.559 8.559 1.00 0.00 H new ATOM 0 HA ALA A 37 5.493 4.807 5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.193 7.216 6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.169 6.187 7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.660 6.902 7.956 1.00 0.00 H new ATOM 577 N PRO A 38 8.270 5.983 7.180 1.00 0.00 N ATOM 578 CA PRO A 38 9.654 6.398 6.908 1.00 0.00 C ATOM 579 C PRO A 38 10.397 5.412 6.012 1.00 0.00 C ATOM 580 O PRO A 38 11.086 5.818 5.077 1.00 0.00 O ATOM 581 CB PRO A 38 10.292 6.440 8.297 1.00 0.00 C ATOM 582 CG PRO A 38 9.157 6.685 9.229 1.00 0.00 C ATOM 583 CD PRO A 38 7.963 6.004 8.619 1.00 0.00 C ATOM 0 HA PRO A 38 9.693 7.348 6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.799 5.503 8.528 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.038 7.231 8.366 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.372 6.283 10.219 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.976 7.753 9.351 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.831 4.997 9.015 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.042 6.550 8.824 1.00 0.00 H new ATOM 591 N PHE A 39 10.239 4.117 6.273 1.00 0.00 N ATOM 592 CA PHE A 39 10.887 3.107 5.444 1.00 0.00 C ATOM 593 C PHE A 39 10.143 2.998 4.131 1.00 0.00 C ATOM 594 O PHE A 39 10.727 2.750 3.077 1.00 0.00 O ATOM 595 CB PHE A 39 10.915 1.748 6.125 1.00 0.00 C ATOM 596 CG PHE A 39 11.682 0.735 5.327 1.00 0.00 C ATOM 597 CD1 PHE A 39 13.066 0.767 5.296 1.00 0.00 C ATOM 598 CD2 PHE A 39 11.022 -0.231 4.582 1.00 0.00 C ATOM 599 CE1 PHE A 39 13.777 -0.146 4.543 1.00 0.00 C ATOM 600 CE2 PHE A 39 11.728 -1.140 3.824 1.00 0.00 C ATOM 601 CZ PHE A 39 13.105 -1.099 3.804 1.00 0.00 C ATOM 0 H PHE A 39 9.677 3.747 7.040 1.00 0.00 H new ATOM 0 HA PHE A 39 11.919 3.415 5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 39 11.364 1.847 7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.894 1.396 6.273 1.00 0.00 H new ATOM 0 HD1 PHE A 39 13.595 1.515 5.868 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.943 -0.271 4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 39 14.856 -0.115 4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 39 11.202 -1.885 3.245 1.00 0.00 H new ATOM 0 HZ PHE A 39 13.658 -1.812 3.211 1.00 0.00 H new ATOM 611 N TYR A 40 8.841 3.214 4.218 1.00 0.00 N ATOM 612 CA TYR A 40 7.972 3.178 3.058 1.00 0.00 C ATOM 613 C TYR A 40 8.428 4.235 2.060 1.00 0.00 C ATOM 614 O TYR A 40 8.360 4.036 0.847 1.00 0.00 O ATOM 615 CB TYR A 40 6.532 3.466 3.490 1.00 0.00 C ATOM 616 CG TYR A 40 5.496 2.620 2.793 1.00 0.00 C ATOM 617 CD1 TYR A 40 5.716 1.269 2.573 1.00 0.00 C ATOM 618 CD2 TYR A 40 4.293 3.168 2.367 1.00 0.00 C ATOM 619 CE1 TYR A 40 4.770 0.485 1.946 1.00 0.00 C ATOM 620 CE2 TYR A 40 3.341 2.388 1.739 1.00 0.00 C ATOM 621 CZ TYR A 40 3.585 1.047 1.532 1.00 0.00 C ATOM 622 OH TYR A 40 2.641 0.265 0.906 1.00 0.00 O ATOM 0 H TYR A 40 8.359 3.419 5.094 1.00 0.00 H new ATOM 0 HA TYR A 40 8.018 2.193 2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.449 3.309 4.565 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.312 4.517 3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.644 0.823 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.099 4.218 2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.959 -0.565 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.410 2.827 1.412 1.00 0.00 H new ATOM 0 HH TYR A 40 2.708 -0.656 1.235 1.00 0.00 H new ATOM 632 N GLU A 41 8.905 5.358 2.590 1.00 0.00 N ATOM 633 CA GLU A 41 9.389 6.453 1.755 1.00 0.00 C ATOM 634 C GLU A 41 10.649 6.042 1.004 1.00 0.00 C ATOM 635 O GLU A 41 10.817 6.374 -0.170 1.00 0.00 O ATOM 636 CB GLU A 41 9.670 7.691 2.605 1.00 0.00 C ATOM 637 CG GLU A 41 8.555 8.009 3.581 1.00 0.00 C ATOM 638 CD GLU A 41 8.395 9.497 3.826 1.00 0.00 C ATOM 639 OE1 GLU A 41 8.886 10.291 2.997 1.00 0.00 O ATOM 640 OE2 GLU A 41 7.779 9.867 4.847 1.00 0.00 O ATOM 0 H GLU A 41 8.967 5.533 3.593 1.00 0.00 H new ATOM 0 HA GLU A 41 8.612 6.693 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.597 7.541 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.825 8.547 1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.617 7.606 3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.754 7.509 4.529 1.00 0.00 H new ATOM 647 N GLU A 42 11.529 5.314 1.680 1.00 0.00 N ATOM 648 CA GLU A 42 12.767 4.857 1.061 1.00 0.00 C ATOM 649 C GLU A 42 12.460 3.944 -0.125 1.00 0.00 C ATOM 650 O GLU A 42 12.987 4.124 -1.223 1.00 0.00 O ATOM 651 CB GLU A 42 13.628 4.110 2.082 1.00 0.00 C ATOM 652 CG GLU A 42 14.214 5.009 3.158 1.00 0.00 C ATOM 653 CD GLU A 42 15.336 4.341 3.928 1.00 0.00 C ATOM 654 OE1 GLU A 42 15.141 3.197 4.389 1.00 0.00 O ATOM 655 OE2 GLU A 42 16.410 4.963 4.071 1.00 0.00 O ATOM 0 H GLU A 42 11.410 5.028 2.652 1.00 0.00 H new ATOM 0 HA GLU A 42 13.317 5.728 0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.025 3.336 2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.441 3.606 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.588 5.924 2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.426 5.301 3.852 1.00 0.00 H new ATOM 662 N CYS A 43 11.594 2.966 0.118 1.00 0.00 N ATOM 663 CA CYS A 43 11.179 2.004 -0.889 1.00 0.00 C ATOM 664 C CYS A 43 10.455 2.681 -2.059 1.00 0.00 C ATOM 665 O CYS A 43 10.587 2.268 -3.207 1.00 0.00 O ATOM 666 CB CYS A 43 10.276 0.974 -0.194 1.00 0.00 C ATOM 667 SG CYS A 43 11.049 0.203 1.239 1.00 0.00 S ATOM 0 H CYS A 43 11.158 2.820 1.029 1.00 0.00 H new ATOM 0 HA CYS A 43 12.053 1.516 -1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.353 1.462 0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.001 0.200 -0.910 1.00 0.00 H new ATOM 0 HG CYS A 43 10.940 0.991 2.267 1.00 0.00 H new ATOM 673 N SER A 44 9.679 3.708 -1.764 1.00 0.00 N ATOM 674 CA SER A 44 8.915 4.409 -2.794 1.00 0.00 C ATOM 675 C SER A 44 9.780 5.186 -3.799 1.00 0.00 C ATOM 676 O SER A 44 9.338 5.432 -4.922 1.00 0.00 O ATOM 677 CB SER A 44 7.923 5.360 -2.133 1.00 0.00 C ATOM 678 OG SER A 44 8.594 6.422 -1.479 1.00 0.00 O ATOM 0 H SER A 44 9.558 4.079 -0.822 1.00 0.00 H new ATOM 0 HA SER A 44 8.399 3.639 -3.368 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.244 5.763 -2.885 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.314 4.813 -1.414 1.00 0.00 H new ATOM 0 HG SER A 44 9.532 6.178 -1.336 1.00 0.00 H new ATOM 684 N LYS A 45 10.980 5.609 -3.405 1.00 0.00 N ATOM 685 CA LYS A 45 11.828 6.397 -4.314 1.00 0.00 C ATOM 686 C LYS A 45 12.859 5.562 -5.091 1.00 0.00 C ATOM 687 O LYS A 45 13.414 6.037 -6.082 1.00 0.00 O ATOM 688 CB LYS A 45 12.527 7.528 -3.552 1.00 0.00 C ATOM 689 CG LYS A 45 13.458 7.060 -2.446 1.00 0.00 C ATOM 690 CD LYS A 45 14.377 8.183 -1.991 1.00 0.00 C ATOM 691 CE LYS A 45 14.614 8.141 -0.492 1.00 0.00 C ATOM 692 NZ LYS A 45 15.524 7.028 -0.105 1.00 0.00 N ATOM 0 H LYS A 45 11.385 5.428 -2.486 1.00 0.00 H new ATOM 0 HA LYS A 45 11.153 6.814 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.098 8.128 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.769 8.181 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.871 6.701 -1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.054 6.219 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.331 8.107 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.940 9.144 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.041 9.089 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.660 8.026 0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.620 7.002 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.130 6.125 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.459 7.178 -0.536 1.00 0.00 H new ATOM 706 N THR A 46 13.111 4.331 -4.661 1.00 0.00 N ATOM 707 CA THR A 46 14.071 3.461 -5.349 1.00 0.00 C ATOM 708 C THR A 46 13.329 2.471 -6.248 1.00 0.00 C ATOM 709 O THR A 46 13.783 2.104 -7.332 1.00 0.00 O ATOM 710 CB THR A 46 14.953 2.699 -4.327 1.00 0.00 C ATOM 711 OG1 THR A 46 16.326 3.071 -4.496 1.00 0.00 O ATOM 712 CG2 THR A 46 14.816 1.186 -4.468 1.00 0.00 C ATOM 0 H THR A 46 12.669 3.910 -3.844 1.00 0.00 H new ATOM 0 HA THR A 46 14.721 4.083 -5.965 1.00 0.00 H new ATOM 0 HB THR A 46 14.609 2.975 -3.330 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.878 2.588 -3.846 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.451 0.693 -3.732 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.778 0.898 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 46 15.121 0.885 -5.470 1.00 0.00 H new ATOM 720 N TYR A 47 12.182 2.060 -5.747 1.00 0.00 N ATOM 721 CA TYR A 47 11.279 1.116 -6.388 1.00 0.00 C ATOM 722 C TYR A 47 10.367 1.791 -7.417 1.00 0.00 C ATOM 723 O TYR A 47 9.292 1.273 -7.720 1.00 0.00 O ATOM 724 CB TYR A 47 10.454 0.364 -5.354 1.00 0.00 C ATOM 725 CG TYR A 47 11.292 -0.420 -4.367 1.00 0.00 C ATOM 726 CD1 TYR A 47 12.292 -1.289 -4.787 1.00 0.00 C ATOM 727 CD2 TYR A 47 11.071 -0.288 -3.014 1.00 0.00 C ATOM 728 CE1 TYR A 47 13.044 -2.002 -3.871 1.00 0.00 C ATOM 729 CE2 TYR A 47 11.812 -0.995 -2.086 1.00 0.00 C ATOM 730 CZ TYR A 47 12.799 -1.853 -2.521 1.00 0.00 C ATOM 731 OH TYR A 47 13.545 -2.559 -1.607 1.00 0.00 O ATOM 0 H TYR A 47 11.836 2.386 -4.845 1.00 0.00 H new ATOM 0 HA TYR A 47 11.900 0.401 -6.927 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.834 1.075 -4.808 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.778 -0.319 -5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.484 -1.409 -5.843 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.299 0.385 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.820 -2.672 -4.211 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.619 -0.876 -1.030 1.00 0.00 H new ATOM 0 HH TYR A 47 14.498 -2.448 -1.807 1.00 0.00 H new ATOM 741 N THR A 48 10.729 2.995 -7.865 1.00 0.00 N ATOM 742 CA THR A 48 9.868 3.783 -8.754 1.00 0.00 C ATOM 743 C THR A 48 9.400 3.030 -10.008 1.00 0.00 C ATOM 744 O THR A 48 8.625 3.574 -10.794 1.00 0.00 O ATOM 745 CB THR A 48 10.585 5.068 -9.203 1.00 0.00 C ATOM 746 OG1 THR A 48 11.700 4.740 -10.041 1.00 0.00 O ATOM 747 CG2 THR A 48 11.065 5.864 -8.000 1.00 0.00 C ATOM 0 H THR A 48 11.612 3.447 -7.628 1.00 0.00 H new ATOM 0 HA THR A 48 8.983 4.010 -8.160 1.00 0.00 H new ATOM 0 HB THR A 48 9.877 5.677 -9.765 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.150 5.563 -10.324 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.569 6.769 -8.340 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.211 6.136 -7.379 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.759 5.259 -7.417 1.00 0.00 H new ATOM 755 N LYS A 49 9.768 1.757 -10.146 1.00 0.00 N ATOM 756 CA LYS A 49 9.258 0.948 -11.250 1.00 0.00 C ATOM 757 C LYS A 49 7.915 0.323 -10.811 1.00 0.00 C ATOM 758 O LYS A 49 7.306 -0.471 -11.526 1.00 0.00 O ATOM 759 CB LYS A 49 10.254 -0.145 -11.662 1.00 0.00 C ATOM 760 CG LYS A 49 11.080 -0.719 -10.521 1.00 0.00 C ATOM 761 CD LYS A 49 12.425 -0.017 -10.400 1.00 0.00 C ATOM 762 CE LYS A 49 13.425 -0.548 -11.414 1.00 0.00 C ATOM 763 NZ LYS A 49 13.913 -1.908 -11.055 1.00 0.00 N ATOM 0 H LYS A 49 10.407 1.270 -9.518 1.00 0.00 H new ATOM 0 HA LYS A 49 9.112 1.584 -12.123 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.704 -0.957 -12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.931 0.264 -12.412 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.530 -0.618 -9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.238 -1.785 -10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.291 1.055 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.819 -0.154 -9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.961 -0.578 -12.400 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.272 0.135 -11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.743 -2.143 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.177 -1.928 -10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.160 -2.604 -11.229 1.00 0.00 H new ATOM 777 N MET A 50 7.488 0.728 -9.607 1.00 0.00 N ATOM 778 CA MET A 50 6.247 0.299 -8.954 1.00 0.00 C ATOM 779 C MET A 50 5.581 1.560 -8.409 1.00 0.00 C ATOM 780 O MET A 50 6.271 2.455 -7.920 1.00 0.00 O ATOM 781 CB MET A 50 6.610 -0.662 -7.810 1.00 0.00 C ATOM 782 CG MET A 50 5.505 -1.604 -7.369 1.00 0.00 C ATOM 783 SD MET A 50 6.126 -3.237 -6.939 1.00 0.00 S ATOM 784 CE MET A 50 6.904 -3.696 -8.482 1.00 0.00 C ATOM 0 H MET A 50 8.019 1.389 -9.041 1.00 0.00 H new ATOM 0 HA MET A 50 5.573 -0.216 -9.638 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.469 -1.258 -8.119 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.924 -0.071 -6.949 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.989 -1.177 -6.509 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.770 -1.697 -8.168 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.817 -4.773 -8.627 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.413 -3.178 -9.305 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.958 -3.418 -8.455 1.00 0.00 H new ATOM 794 N VAL A 51 4.265 1.665 -8.515 1.00 0.00 N ATOM 795 CA VAL A 51 3.586 2.881 -8.039 1.00 0.00 C ATOM 796 C VAL A 51 3.096 2.743 -6.609 1.00 0.00 C ATOM 797 O VAL A 51 2.418 1.778 -6.252 1.00 0.00 O ATOM 798 CB VAL A 51 2.399 3.322 -8.928 1.00 0.00 C ATOM 799 CG1 VAL A 51 2.758 4.582 -9.690 1.00 0.00 C ATOM 800 CG2 VAL A 51 1.967 2.226 -9.881 1.00 0.00 C ATOM 0 H VAL A 51 3.653 0.952 -8.912 1.00 0.00 H new ATOM 0 HA VAL A 51 4.354 3.653 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 51 1.553 3.530 -8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.915 4.883 -10.312 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.992 5.380 -8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.625 4.391 -10.322 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.131 2.578 -10.486 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.800 1.961 -10.532 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.658 1.349 -9.311 1.00 0.00 H new ATOM 810 N PHE A 52 3.470 3.722 -5.790 1.00 0.00 N ATOM 811 CA PHE A 52 3.099 3.730 -4.381 1.00 0.00 C ATOM 812 C PHE A 52 1.996 4.741 -4.062 1.00 0.00 C ATOM 813 O PHE A 52 2.103 5.925 -4.379 1.00 0.00 O ATOM 814 CB PHE A 52 4.319 4.048 -3.511 1.00 0.00 C ATOM 815 CG PHE A 52 5.347 2.960 -3.487 1.00 0.00 C ATOM 816 CD1 PHE A 52 5.946 2.569 -4.660 1.00 0.00 C ATOM 817 CD2 PHE A 52 5.719 2.339 -2.304 1.00 0.00 C ATOM 818 CE1 PHE A 52 6.900 1.576 -4.674 1.00 0.00 C ATOM 819 CE2 PHE A 52 6.677 1.340 -2.307 1.00 0.00 C ATOM 820 CZ PHE A 52 7.266 0.961 -3.496 1.00 0.00 C ATOM 0 H PHE A 52 4.032 4.522 -6.081 1.00 0.00 H new ATOM 0 HA PHE A 52 2.718 2.733 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.783 4.965 -3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.985 4.242 -2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.664 3.048 -5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.258 2.637 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.360 1.280 -5.605 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.962 0.859 -1.383 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.014 0.182 -3.504 1.00 0.00 H new ATOM 830 N ILE A 53 0.959 4.253 -3.391 1.00 0.00 N ATOM 831 CA ILE A 53 -0.170 5.086 -2.960 1.00 0.00 C ATOM 832 C ILE A 53 -0.658 4.619 -1.586 1.00 0.00 C ATOM 833 O ILE A 53 -0.567 3.439 -1.264 1.00 0.00 O ATOM 834 CB ILE A 53 -1.341 5.043 -3.969 1.00 0.00 C ATOM 835 CG1 ILE A 53 -1.955 3.644 -4.045 1.00 0.00 C ATOM 836 CG2 ILE A 53 -0.870 5.492 -5.344 1.00 0.00 C ATOM 837 CD1 ILE A 53 -3.467 3.647 -3.993 1.00 0.00 C ATOM 0 H ILE A 53 0.872 3.271 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 53 0.181 6.116 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.113 5.729 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.632 3.163 -4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.572 3.042 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.705 5.457 -6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.490 6.512 -5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.077 4.830 -5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.835 2.623 -4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.798 4.099 -3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.859 4.222 -4.832 1.00 0.00 H new ATOM 849 N LYS A 54 -1.173 5.536 -0.775 1.00 0.00 N ATOM 850 CA LYS A 54 -1.664 5.183 0.554 1.00 0.00 C ATOM 851 C LYS A 54 -3.137 5.550 0.689 1.00 0.00 C ATOM 852 O LYS A 54 -3.576 6.583 0.184 1.00 0.00 O ATOM 853 CB LYS A 54 -0.825 5.873 1.642 1.00 0.00 C ATOM 854 CG LYS A 54 -1.152 7.347 1.860 1.00 0.00 C ATOM 855 CD LYS A 54 -0.080 8.255 1.275 1.00 0.00 C ATOM 856 CE LYS A 54 0.577 9.113 2.347 1.00 0.00 C ATOM 857 NZ LYS A 54 2.062 9.023 2.299 1.00 0.00 N ATOM 0 H LYS A 54 -1.262 6.524 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.566 4.105 0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.966 5.341 2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.229 5.784 1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.114 7.578 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.252 7.543 2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.678 7.650 0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.523 8.898 0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.272 10.151 2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.226 8.798 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.458 9.325 3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.344 8.041 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.423 9.640 1.544 1.00 0.00 H new ATOM 871 N VAL A 55 -3.903 4.695 1.357 1.00 0.00 N ATOM 872 CA VAL A 55 -5.325 4.946 1.529 1.00 0.00 C ATOM 873 C VAL A 55 -5.792 4.593 2.939 1.00 0.00 C ATOM 874 O VAL A 55 -5.739 3.438 3.360 1.00 0.00 O ATOM 875 CB VAL A 55 -6.150 4.185 0.446 1.00 0.00 C ATOM 876 CG1 VAL A 55 -7.436 3.566 0.993 1.00 0.00 C ATOM 877 CG2 VAL A 55 -6.466 5.111 -0.720 1.00 0.00 C ATOM 0 H VAL A 55 -3.566 3.832 1.783 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.496 6.014 1.396 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.528 3.358 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.963 3.052 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.190 2.853 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.073 4.351 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.042 4.569 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.046 5.962 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.536 5.467 -1.164 1.00 0.00 H new ATOM 887 N ASP A 56 -6.259 5.613 3.651 1.00 0.00 N ATOM 888 CA ASP A 56 -6.754 5.453 5.012 1.00 0.00 C ATOM 889 C ASP A 56 -8.160 4.857 4.986 1.00 0.00 C ATOM 890 O ASP A 56 -8.928 5.094 4.054 1.00 0.00 O ATOM 891 CB ASP A 56 -6.717 6.817 5.736 1.00 0.00 C ATOM 892 CG ASP A 56 -7.725 6.944 6.861 1.00 0.00 C ATOM 893 OD1 ASP A 56 -7.911 5.961 7.608 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.324 8.031 7.000 1.00 0.00 O ATOM 0 H ASP A 56 -6.305 6.570 3.302 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.116 4.763 5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.717 6.976 6.138 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.898 7.608 5.008 1.00 0.00 H new ATOM 899 N VAL A 57 -8.479 4.065 6.003 1.00 0.00 N ATOM 900 CA VAL A 57 -9.776 3.416 6.089 1.00 0.00 C ATOM 901 C VAL A 57 -10.855 4.400 6.523 1.00 0.00 C ATOM 902 O VAL A 57 -12.037 4.218 6.229 1.00 0.00 O ATOM 903 CB VAL A 57 -9.744 2.241 7.091 1.00 0.00 C ATOM 904 CG1 VAL A 57 -8.622 1.274 6.749 1.00 0.00 C ATOM 905 CG2 VAL A 57 -9.590 2.753 8.517 1.00 0.00 C ATOM 0 H VAL A 57 -7.853 3.858 6.781 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.010 3.038 5.094 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.692 1.707 7.018 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.617 0.454 7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.777 0.877 5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.666 1.797 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.570 1.909 9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.660 3.315 8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.430 3.402 8.763 1.00 0.00 H new ATOM 915 N ASP A 58 -10.436 5.427 7.250 1.00 0.00 N ATOM 916 CA ASP A 58 -11.355 6.430 7.759 1.00 0.00 C ATOM 917 C ASP A 58 -11.866 7.352 6.650 1.00 0.00 C ATOM 918 O ASP A 58 -12.990 7.849 6.721 1.00 0.00 O ATOM 919 CB ASP A 58 -10.679 7.247 8.870 1.00 0.00 C ATOM 920 CG ASP A 58 -11.353 8.585 9.120 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.118 9.523 8.330 1.00 0.00 O ATOM 922 OD2 ASP A 58 -12.116 8.692 10.103 1.00 0.00 O ATOM 0 H ASP A 58 -9.460 5.586 7.500 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.220 5.910 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.683 6.667 9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.636 7.417 8.604 1.00 0.00 H new ATOM 927 N GLU A 59 -11.043 7.585 5.634 1.00 0.00 N ATOM 928 CA GLU A 59 -11.436 8.458 4.530 1.00 0.00 C ATOM 929 C GLU A 59 -12.488 7.791 3.655 1.00 0.00 C ATOM 930 O GLU A 59 -13.353 8.462 3.092 1.00 0.00 O ATOM 931 CB GLU A 59 -10.226 8.838 3.671 1.00 0.00 C ATOM 932 CG GLU A 59 -8.948 9.039 4.465 1.00 0.00 C ATOM 933 CD GLU A 59 -7.826 9.619 3.626 1.00 0.00 C ATOM 934 OE1 GLU A 59 -7.246 8.871 2.811 1.00 0.00 O ATOM 935 OE2 GLU A 59 -7.526 10.821 3.785 1.00 0.00 O ATOM 0 H GLU A 59 -10.108 7.187 5.550 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.859 9.363 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.061 8.058 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.452 9.755 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.148 9.702 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.629 8.083 4.881 1.00 0.00 H new ATOM 942 N VAL A 60 -12.408 6.471 3.538 1.00 0.00 N ATOM 943 CA VAL A 60 -13.358 5.726 2.719 1.00 0.00 C ATOM 944 C VAL A 60 -13.479 4.275 3.174 1.00 0.00 C ATOM 945 O VAL A 60 -12.737 3.406 2.716 1.00 0.00 O ATOM 946 CB VAL A 60 -12.967 5.752 1.223 1.00 0.00 C ATOM 947 CG1 VAL A 60 -13.771 6.807 0.476 1.00 0.00 C ATOM 948 CG2 VAL A 60 -11.473 5.994 1.052 1.00 0.00 C ATOM 0 H VAL A 60 -11.700 5.897 3.996 1.00 0.00 H new ATOM 0 HA VAL A 60 -14.321 6.221 2.845 1.00 0.00 H new ATOM 0 HB VAL A 60 -13.201 4.776 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -13.481 6.809 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.834 6.580 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.575 7.788 0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.226 6.007 -0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.206 6.952 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.917 5.196 1.544 1.00 0.00 H new ATOM 958 N SER A 61 -14.432 4.018 4.065 1.00 0.00 N ATOM 959 CA SER A 61 -14.667 2.669 4.569 1.00 0.00 C ATOM 960 C SER A 61 -14.947 1.713 3.418 1.00 0.00 C ATOM 961 O SER A 61 -14.606 0.532 3.478 1.00 0.00 O ATOM 962 CB SER A 61 -15.840 2.664 5.552 1.00 0.00 C ATOM 963 OG SER A 61 -15.723 1.602 6.482 1.00 0.00 O ATOM 0 H SER A 61 -15.054 4.727 4.453 1.00 0.00 H new ATOM 0 HA SER A 61 -13.770 2.336 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.876 3.615 6.084 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.777 2.569 5.004 1.00 0.00 H new ATOM 0 HG SER A 61 -16.484 1.622 7.099 1.00 0.00 H new ATOM 969 N GLU A 62 -15.570 2.235 2.370 1.00 0.00 N ATOM 970 CA GLU A 62 -15.899 1.436 1.198 1.00 0.00 C ATOM 971 C GLU A 62 -14.655 0.785 0.619 1.00 0.00 C ATOM 972 O GLU A 62 -14.708 -0.325 0.094 1.00 0.00 O ATOM 973 CB GLU A 62 -16.573 2.307 0.144 1.00 0.00 C ATOM 974 CG GLU A 62 -15.701 3.422 -0.411 1.00 0.00 C ATOM 975 CD GLU A 62 -16.459 4.320 -1.368 1.00 0.00 C ATOM 976 OE1 GLU A 62 -17.267 3.793 -2.162 1.00 0.00 O ATOM 977 OE2 GLU A 62 -16.247 5.550 -1.324 1.00 0.00 O ATOM 0 H GLU A 62 -15.858 3.211 2.308 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.587 0.647 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.895 1.672 -0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.471 2.748 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.310 4.019 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.843 2.988 -0.925 1.00 0.00 H new ATOM 984 N VAL A 63 -13.535 1.476 0.741 1.00 0.00 N ATOM 985 CA VAL A 63 -12.263 0.959 0.245 1.00 0.00 C ATOM 986 C VAL A 63 -11.902 -0.308 1.002 1.00 0.00 C ATOM 987 O VAL A 63 -11.443 -1.291 0.420 1.00 0.00 O ATOM 988 CB VAL A 63 -11.118 1.989 0.400 1.00 0.00 C ATOM 989 CG1 VAL A 63 -9.768 1.339 0.133 1.00 0.00 C ATOM 990 CG2 VAL A 63 -11.330 3.181 -0.526 1.00 0.00 C ATOM 0 H VAL A 63 -13.476 2.396 1.178 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.383 0.749 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.128 2.351 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.978 2.081 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.609 0.527 0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.749 0.943 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.513 3.891 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.355 2.838 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.274 3.668 -0.282 1.00 0.00 H new ATOM 1000 N THR A 64 -12.138 -0.276 2.304 1.00 0.00 N ATOM 1001 CA THR A 64 -11.870 -1.414 3.162 1.00 0.00 C ATOM 1002 C THR A 64 -12.681 -2.619 2.696 1.00 0.00 C ATOM 1003 O THR A 64 -12.172 -3.738 2.621 1.00 0.00 O ATOM 1004 CB THR A 64 -12.223 -1.077 4.624 1.00 0.00 C ATOM 1005 OG1 THR A 64 -11.405 0.006 5.083 1.00 0.00 O ATOM 1006 CG2 THR A 64 -12.033 -2.278 5.540 1.00 0.00 C ATOM 0 H THR A 64 -12.518 0.535 2.791 1.00 0.00 H new ATOM 0 HA THR A 64 -10.808 -1.654 3.104 1.00 0.00 H new ATOM 0 HB THR A 64 -13.274 -0.791 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.129 -0.162 6.008 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.292 -2.001 6.562 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.678 -3.093 5.211 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.993 -2.602 5.504 1.00 0.00 H new ATOM 1014 N GLU A 65 -13.948 -2.373 2.377 1.00 0.00 N ATOM 1015 CA GLU A 65 -14.845 -3.424 1.907 1.00 0.00 C ATOM 1016 C GLU A 65 -14.462 -3.891 0.501 1.00 0.00 C ATOM 1017 O GLU A 65 -14.544 -5.079 0.189 1.00 0.00 O ATOM 1018 CB GLU A 65 -16.293 -2.921 1.916 1.00 0.00 C ATOM 1019 CG GLU A 65 -17.293 -3.896 1.310 1.00 0.00 C ATOM 1020 CD GLU A 65 -17.928 -4.801 2.346 1.00 0.00 C ATOM 1021 OE1 GLU A 65 -18.349 -4.289 3.405 1.00 0.00 O ATOM 1022 OE2 GLU A 65 -18.005 -6.023 2.099 1.00 0.00 O ATOM 0 H GLU A 65 -14.379 -1.450 2.436 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.754 -4.274 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.586 -2.709 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.343 -1.979 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -18.074 -3.336 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.790 -4.506 0.560 1.00 0.00 H new ATOM 1029 N LYS A 66 -14.057 -2.948 -0.347 1.00 0.00 N ATOM 1030 CA LYS A 66 -13.679 -3.267 -1.722 1.00 0.00 C ATOM 1031 C LYS A 66 -12.544 -4.283 -1.767 1.00 0.00 C ATOM 1032 O LYS A 66 -12.488 -5.122 -2.666 1.00 0.00 O ATOM 1033 CB LYS A 66 -13.267 -1.997 -2.470 1.00 0.00 C ATOM 1034 CG LYS A 66 -14.340 -0.921 -2.475 1.00 0.00 C ATOM 1035 CD LYS A 66 -14.870 -0.655 -3.873 1.00 0.00 C ATOM 1036 CE LYS A 66 -15.997 0.364 -3.850 1.00 0.00 C ATOM 1037 NZ LYS A 66 -16.955 0.164 -4.973 1.00 0.00 N ATOM 0 H LYS A 66 -13.982 -1.959 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.549 -3.707 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.362 -1.594 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.018 -2.256 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.162 -1.225 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.932 0.001 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.062 -0.293 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.227 -1.586 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.530 0.293 -2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.578 1.369 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.707 0.880 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.452 0.257 -5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.375 -0.785 -4.906 1.00 0.00 H new ATOM 1051 N GLU A 67 -11.642 -4.207 -0.796 1.00 0.00 N ATOM 1052 CA GLU A 67 -10.514 -5.126 -0.737 1.00 0.00 C ATOM 1053 C GLU A 67 -10.708 -6.167 0.363 1.00 0.00 C ATOM 1054 O GLU A 67 -9.795 -6.937 0.664 1.00 0.00 O ATOM 1055 CB GLU A 67 -9.211 -4.355 -0.508 1.00 0.00 C ATOM 1056 CG GLU A 67 -8.842 -3.430 -1.658 1.00 0.00 C ATOM 1057 CD GLU A 67 -8.884 -4.126 -3.004 1.00 0.00 C ATOM 1058 OE1 GLU A 67 -8.045 -5.022 -3.235 1.00 0.00 O ATOM 1059 OE2 GLU A 67 -9.756 -3.776 -3.827 1.00 0.00 O ATOM 0 H GLU A 67 -11.670 -3.521 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.456 -5.648 -1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.302 -3.767 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.400 -5.066 -0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.526 -2.582 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.842 -3.030 -1.491 1.00 0.00 H new ATOM 1066 N ASN A 68 -11.902 -6.198 0.954 1.00 0.00 N ATOM 1067 CA ASN A 68 -12.205 -7.155 2.005 1.00 0.00 C ATOM 1068 C ASN A 68 -11.144 -7.101 3.104 1.00 0.00 C ATOM 1069 O ASN A 68 -10.654 -8.131 3.567 1.00 0.00 O ATOM 1070 CB ASN A 68 -12.295 -8.554 1.407 1.00 0.00 C ATOM 1071 CG ASN A 68 -13.598 -9.252 1.748 1.00 0.00 C ATOM 1072 OD1 ASN A 68 -14.409 -9.539 0.868 1.00 0.00 O ATOM 1073 ND2 ASN A 68 -13.806 -9.528 3.029 1.00 0.00 N ATOM 0 H ASN A 68 -12.671 -5.570 0.720 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.164 -6.900 2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.195 -8.489 0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.460 -9.154 1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.665 -9.996 3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.107 -9.272 3.726 1.00 0.00 H new ATOM 1080 N ILE A 69 -10.792 -5.884 3.504 1.00 0.00 N ATOM 1081 CA ILE A 69 -9.784 -5.667 4.537 1.00 0.00 C ATOM 1082 C ILE A 69 -10.299 -6.099 5.906 1.00 0.00 C ATOM 1083 O ILE A 69 -11.291 -5.566 6.403 1.00 0.00 O ATOM 1084 CB ILE A 69 -9.364 -4.183 4.592 1.00 0.00 C ATOM 1085 CG1 ILE A 69 -8.799 -3.724 3.242 1.00 0.00 C ATOM 1086 CG2 ILE A 69 -8.354 -3.951 5.703 1.00 0.00 C ATOM 1087 CD1 ILE A 69 -7.403 -4.230 2.961 1.00 0.00 C ATOM 0 H ILE A 69 -11.193 -5.026 3.125 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.917 -6.274 4.278 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.252 -3.588 4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.464 -4.061 2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.793 -2.634 3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.072 -2.898 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.796 -4.227 6.660 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.469 -4.561 5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.072 -3.864 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.724 -3.872 3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.405 -5.320 2.957 1.00 0.00 H new ATOM 1099 N THR A 70 -9.627 -7.080 6.507 1.00 0.00 N ATOM 1100 CA THR A 70 -10.031 -7.590 7.807 1.00 0.00 C ATOM 1101 C THR A 70 -9.047 -7.223 8.920 1.00 0.00 C ATOM 1102 O THR A 70 -9.457 -6.938 10.045 1.00 0.00 O ATOM 1103 CB THR A 70 -10.179 -9.117 7.765 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.957 -9.717 7.321 1.00 0.00 O ATOM 1105 CG2 THR A 70 -11.315 -9.527 6.841 1.00 0.00 C ATOM 0 H THR A 70 -8.803 -7.533 6.112 1.00 0.00 H new ATOM 0 HA THR A 70 -10.988 -7.120 8.033 1.00 0.00 H new ATOM 0 HB THR A 70 -10.408 -9.464 8.773 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.060 -10.691 7.299 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.400 -10.614 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.249 -9.094 7.199 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.112 -9.167 5.832 1.00 0.00 H new ATOM 1113 N SER A 71 -7.750 -7.254 8.616 1.00 0.00 N ATOM 1114 CA SER A 71 -6.732 -6.947 9.624 1.00 0.00 C ATOM 1115 C SER A 71 -5.697 -5.937 9.124 1.00 0.00 C ATOM 1116 O SER A 71 -5.162 -6.069 8.026 1.00 0.00 O ATOM 1117 CB SER A 71 -6.026 -8.231 10.061 1.00 0.00 C ATOM 1118 OG SER A 71 -5.953 -9.161 8.994 1.00 0.00 O ATOM 0 H SER A 71 -7.381 -7.485 7.694 1.00 0.00 H new ATOM 0 HA SER A 71 -7.247 -6.495 10.471 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.021 -7.996 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.561 -8.676 10.900 1.00 0.00 H new ATOM 0 HG SER A 71 -5.496 -9.973 9.298 1.00 0.00 H new ATOM 1124 N MET A 72 -5.418 -4.936 9.960 1.00 0.00 N ATOM 1125 CA MET A 72 -4.442 -3.888 9.648 1.00 0.00 C ATOM 1126 C MET A 72 -3.282 -3.924 10.636 1.00 0.00 C ATOM 1127 O MET A 72 -3.435 -4.403 11.759 1.00 0.00 O ATOM 1128 CB MET A 72 -5.111 -2.509 9.721 1.00 0.00 C ATOM 1129 CG MET A 72 -5.639 -1.995 8.392 1.00 0.00 C ATOM 1130 SD MET A 72 -7.438 -2.067 8.285 1.00 0.00 S ATOM 1131 CE MET A 72 -7.899 -1.143 9.750 1.00 0.00 C ATOM 0 H MET A 72 -5.861 -4.828 10.872 1.00 0.00 H new ATOM 0 HA MET A 72 -4.064 -4.065 8.641 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.936 -2.556 10.432 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.392 -1.790 10.115 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.311 -0.965 8.249 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.207 -2.583 7.582 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.817 -0.588 9.556 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.060 -1.832 10.579 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.101 -0.446 10.007 1.00 0.00 H new ATOM 1141 N PRO A 73 -2.111 -3.377 10.257 1.00 0.00 N ATOM 1142 CA PRO A 73 -1.864 -2.786 8.929 1.00 0.00 C ATOM 1143 C PRO A 73 -1.710 -3.842 7.828 1.00 0.00 C ATOM 1144 O PRO A 73 -1.210 -4.938 8.082 1.00 0.00 O ATOM 1145 CB PRO A 73 -0.546 -2.035 9.131 1.00 0.00 C ATOM 1146 CG PRO A 73 0.164 -2.837 10.162 1.00 0.00 C ATOM 1147 CD PRO A 73 -0.902 -3.333 11.101 1.00 0.00 C ATOM 0 HA PRO A 73 -2.694 -2.160 8.600 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.027 -1.976 8.206 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.716 -1.012 9.467 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.703 -3.669 9.708 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.900 -2.231 10.691 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.657 -4.316 11.503 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.031 -2.664 11.952 1.00 0.00 H new ATOM 1155 N THR A 74 -2.110 -3.502 6.603 1.00 0.00 N ATOM 1156 CA THR A 74 -1.977 -4.428 5.474 1.00 0.00 C ATOM 1157 C THR A 74 -1.328 -3.770 4.248 1.00 0.00 C ATOM 1158 O THR A 74 -1.776 -2.723 3.779 1.00 0.00 O ATOM 1159 CB THR A 74 -3.336 -5.010 5.039 1.00 0.00 C ATOM 1160 OG1 THR A 74 -4.260 -4.996 6.130 1.00 0.00 O ATOM 1161 CG2 THR A 74 -3.170 -6.434 4.528 1.00 0.00 C ATOM 0 H THR A 74 -2.525 -2.601 6.366 1.00 0.00 H new ATOM 0 HA THR A 74 -1.332 -5.228 5.838 1.00 0.00 H new ATOM 0 HB THR A 74 -3.727 -4.388 4.234 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.211 -5.849 6.611 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.140 -6.828 4.226 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.495 -6.437 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.756 -7.059 5.319 1.00 0.00 H new ATOM 1169 N PHE A 75 -0.298 -4.428 3.709 1.00 0.00 N ATOM 1170 CA PHE A 75 0.395 -3.959 2.504 1.00 0.00 C ATOM 1171 C PHE A 75 0.137 -4.949 1.383 1.00 0.00 C ATOM 1172 O PHE A 75 0.516 -6.117 1.474 1.00 0.00 O ATOM 1173 CB PHE A 75 1.907 -3.825 2.730 1.00 0.00 C ATOM 1174 CG PHE A 75 2.316 -2.668 3.609 1.00 0.00 C ATOM 1175 CD1 PHE A 75 1.371 -1.791 4.125 1.00 0.00 C ATOM 1176 CD2 PHE A 75 3.656 -2.455 3.916 1.00 0.00 C ATOM 1177 CE1 PHE A 75 1.752 -0.730 4.926 1.00 0.00 C ATOM 1178 CE2 PHE A 75 4.039 -1.395 4.719 1.00 0.00 C ATOM 1179 CZ PHE A 75 3.087 -0.534 5.224 1.00 0.00 C ATOM 0 H PHE A 75 0.078 -5.295 4.092 1.00 0.00 H new ATOM 0 HA PHE A 75 0.012 -2.971 2.247 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.277 -4.749 3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.397 -3.718 1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.326 -1.939 3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.406 -3.125 3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.006 -0.055 5.319 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.083 -1.242 4.950 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.385 0.293 5.852 1.00 0.00 H new ATOM 1189 N LYS A 76 -0.531 -4.491 0.339 1.00 0.00 N ATOM 1190 CA LYS A 76 -0.860 -5.355 -0.781 1.00 0.00 C ATOM 1191 C LYS A 76 -0.329 -4.795 -2.092 1.00 0.00 C ATOM 1192 O LYS A 76 -0.494 -3.611 -2.385 1.00 0.00 O ATOM 1193 CB LYS A 76 -2.381 -5.519 -0.876 1.00 0.00 C ATOM 1194 CG LYS A 76 -2.903 -6.863 -0.386 1.00 0.00 C ATOM 1195 CD LYS A 76 -3.981 -7.400 -1.312 1.00 0.00 C ATOM 1196 CE LYS A 76 -5.362 -6.931 -0.883 1.00 0.00 C ATOM 1197 NZ LYS A 76 -6.385 -7.167 -1.938 1.00 0.00 N ATOM 0 H LYS A 76 -0.855 -3.529 0.243 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.389 -6.323 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.856 -4.726 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.684 -5.382 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.081 -7.577 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.305 -6.755 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.784 -7.071 -2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.950 -8.490 -1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.655 -7.452 0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.326 -5.868 -0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.333 -6.993 -1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.215 -6.522 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.322 -8.151 -2.268 1.00 0.00 H new ATOM 1211 N VAL A 77 0.275 -5.661 -2.896 1.00 0.00 N ATOM 1212 CA VAL A 77 0.785 -5.259 -4.191 1.00 0.00 C ATOM 1213 C VAL A 77 -0.222 -5.669 -5.250 1.00 0.00 C ATOM 1214 O VAL A 77 -0.737 -6.786 -5.226 1.00 0.00 O ATOM 1215 CB VAL A 77 2.158 -5.887 -4.495 1.00 0.00 C ATOM 1216 CG1 VAL A 77 2.630 -5.509 -5.894 1.00 0.00 C ATOM 1217 CG2 VAL A 77 3.177 -5.455 -3.455 1.00 0.00 C ATOM 0 H VAL A 77 0.421 -6.645 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 77 0.925 -4.178 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 77 2.055 -6.971 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.602 -5.964 -6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.910 -5.867 -6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.716 -4.425 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.143 -5.906 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.272 -4.369 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.849 -5.779 -2.467 1.00 0.00 H new ATOM 1227 N TYR A 78 -0.535 -4.756 -6.150 1.00 0.00 N ATOM 1228 CA TYR A 78 -1.521 -5.033 -7.178 1.00 0.00 C ATOM 1229 C TYR A 78 -0.893 -5.111 -8.562 1.00 0.00 C ATOM 1230 O TYR A 78 -0.206 -4.190 -9.001 1.00 0.00 O ATOM 1231 CB TYR A 78 -2.607 -3.964 -7.142 1.00 0.00 C ATOM 1232 CG TYR A 78 -3.441 -3.997 -5.880 1.00 0.00 C ATOM 1233 CD1 TYR A 78 -2.998 -3.372 -4.721 1.00 0.00 C ATOM 1234 CD2 TYR A 78 -4.665 -4.654 -5.843 1.00 0.00 C ATOM 1235 CE1 TYR A 78 -3.751 -3.401 -3.563 1.00 0.00 C ATOM 1236 CE2 TYR A 78 -5.423 -4.686 -4.689 1.00 0.00 C ATOM 1237 CZ TYR A 78 -4.962 -4.059 -3.552 1.00 0.00 C ATOM 1238 OH TYR A 78 -5.714 -4.091 -2.400 1.00 0.00 O ATOM 0 H TYR A 78 -0.125 -3.823 -6.191 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.961 -6.009 -6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.143 -2.982 -7.237 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.261 -4.092 -8.004 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.050 -2.855 -4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.030 -5.148 -6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.392 -2.910 -2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.373 -5.200 -4.678 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.516 -4.634 -2.548 1.00 0.00 H new ATOM 1248 N LYS A 79 -1.142 -6.223 -9.244 1.00 0.00 N ATOM 1249 CA LYS A 79 -0.614 -6.444 -10.575 1.00 0.00 C ATOM 1250 C LYS A 79 -1.744 -6.575 -11.583 1.00 0.00 C ATOM 1251 O LYS A 79 -2.683 -7.349 -11.392 1.00 0.00 O ATOM 1252 CB LYS A 79 0.253 -7.701 -10.582 1.00 0.00 C ATOM 1253 CG LYS A 79 0.902 -7.976 -11.920 1.00 0.00 C ATOM 1254 CD LYS A 79 2.420 -7.956 -11.820 1.00 0.00 C ATOM 1255 CE LYS A 79 3.073 -8.360 -13.130 1.00 0.00 C ATOM 1256 NZ LYS A 79 2.902 -9.812 -13.417 1.00 0.00 N ATOM 0 H LYS A 79 -1.713 -6.990 -8.888 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.003 -5.587 -10.859 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.030 -7.602 -9.823 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.360 -8.558 -10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.574 -8.947 -12.292 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.574 -7.230 -12.644 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.753 -6.957 -11.540 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.742 -8.633 -11.029 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.643 -7.777 -13.944 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.136 -8.121 -13.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.487 -10.075 -14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.196 -10.367 -12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.903 -10.009 -13.628 1.00 0.00 H new ATOM 1270 N ASN A 80 -1.644 -5.799 -12.648 1.00 0.00 N ATOM 1271 CA ASN A 80 -2.649 -5.793 -13.699 1.00 0.00 C ATOM 1272 C ASN A 80 -4.023 -5.426 -13.141 1.00 0.00 C ATOM 1273 O ASN A 80 -5.048 -5.915 -13.616 1.00 0.00 O ATOM 1274 CB ASN A 80 -2.704 -7.161 -14.384 1.00 0.00 C ATOM 1275 CG ASN A 80 -2.006 -7.165 -15.731 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -2.564 -6.718 -16.732 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -0.777 -7.671 -15.763 1.00 0.00 N ATOM 0 H ASN A 80 -0.868 -5.157 -12.809 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.369 -5.039 -14.434 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.242 -7.907 -13.737 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.745 -7.456 -14.517 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.260 -7.699 -16.642 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.351 -8.031 -14.909 1.00 0.00 H new ATOM 1284 N GLY A 81 -4.035 -4.539 -12.150 1.00 0.00 N ATOM 1285 CA GLY A 81 -5.285 -4.093 -11.567 1.00 0.00 C ATOM 1286 C GLY A 81 -5.921 -5.105 -10.637 1.00 0.00 C ATOM 1287 O GLY A 81 -7.146 -5.219 -10.590 1.00 0.00 O ATOM 0 H GLY A 81 -3.199 -4.121 -11.741 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.109 -3.168 -11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.986 -3.859 -12.368 1.00 0.00 H new ATOM 1291 N SER A 82 -5.106 -5.834 -9.881 1.00 0.00 N ATOM 1292 CA SER A 82 -5.638 -6.815 -8.948 1.00 0.00 C ATOM 1293 C SER A 82 -4.612 -7.167 -7.885 1.00 0.00 C ATOM 1294 O SER A 82 -3.439 -6.829 -8.013 1.00 0.00 O ATOM 1295 CB SER A 82 -6.095 -8.074 -9.689 1.00 0.00 C ATOM 1296 OG SER A 82 -7.508 -8.132 -9.773 1.00 0.00 O ATOM 0 H SER A 82 -4.088 -5.764 -9.896 1.00 0.00 H new ATOM 0 HA SER A 82 -6.502 -6.373 -8.453 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.667 -8.085 -10.692 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.722 -8.959 -9.173 1.00 0.00 H new ATOM 0 HG SER A 82 -7.855 -7.258 -10.049 1.00 0.00 H new ATOM 1302 N SER A 83 -5.064 -7.832 -6.826 1.00 0.00 N ATOM 1303 CA SER A 83 -4.175 -8.199 -5.736 1.00 0.00 C ATOM 1304 C SER A 83 -3.194 -9.278 -6.167 1.00 0.00 C ATOM 1305 O SER A 83 -3.570 -10.253 -6.817 1.00 0.00 O ATOM 1306 CB SER A 83 -4.974 -8.669 -4.523 1.00 0.00 C ATOM 1307 OG SER A 83 -6.109 -9.420 -4.914 1.00 0.00 O ATOM 0 H SER A 83 -6.033 -8.124 -6.702 1.00 0.00 H new ATOM 0 HA SER A 83 -3.607 -7.311 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.338 -9.276 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.290 -7.806 -3.937 1.00 0.00 H new ATOM 0 HG SER A 83 -6.600 -9.709 -4.117 1.00 0.00 H new ATOM 1313 N VAL A 84 -1.927 -9.083 -5.814 1.00 0.00 N ATOM 1314 CA VAL A 84 -0.883 -10.024 -6.177 1.00 0.00 C ATOM 1315 C VAL A 84 -0.174 -10.590 -4.941 1.00 0.00 C ATOM 1316 O VAL A 84 0.258 -11.742 -4.941 1.00 0.00 O ATOM 1317 CB VAL A 84 0.129 -9.351 -7.134 1.00 0.00 C ATOM 1318 CG1 VAL A 84 1.164 -8.531 -6.385 1.00 0.00 C ATOM 1319 CG2 VAL A 84 0.796 -10.382 -8.031 1.00 0.00 C ATOM 0 H VAL A 84 -1.602 -8.279 -5.276 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.350 -10.864 -6.691 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.433 -8.661 -7.763 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.853 -8.077 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.664 -7.748 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.718 -9.178 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.503 -9.884 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.326 -11.110 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.038 -10.892 -8.625 1.00 0.00 H new ATOM 1329 N ASP A 85 -0.065 -9.780 -3.887 1.00 0.00 N ATOM 1330 CA ASP A 85 0.581 -10.212 -2.653 1.00 0.00 C ATOM 1331 C ASP A 85 0.031 -9.451 -1.453 1.00 0.00 C ATOM 1332 O ASP A 85 -0.433 -8.320 -1.586 1.00 0.00 O ATOM 1333 CB ASP A 85 2.092 -10.010 -2.745 1.00 0.00 C ATOM 1334 CG ASP A 85 2.860 -11.046 -1.948 1.00 0.00 C ATOM 1335 OD1 ASP A 85 3.045 -12.171 -2.460 1.00 0.00 O ATOM 1336 OD2 ASP A 85 3.276 -10.734 -0.813 1.00 0.00 O ATOM 0 H ASP A 85 -0.416 -8.823 -3.866 1.00 0.00 H new ATOM 0 HA ASP A 85 0.369 -11.273 -2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.400 -10.057 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.346 -9.014 -2.382 1.00 0.00 H new ATOM 1341 N THR A 86 0.093 -10.073 -0.280 1.00 0.00 N ATOM 1342 CA THR A 86 -0.391 -9.449 0.939 1.00 0.00 C ATOM 1343 C THR A 86 0.643 -9.555 2.055 1.00 0.00 C ATOM 1344 O THR A 86 1.131 -10.644 2.359 1.00 0.00 O ATOM 1345 CB THR A 86 -1.699 -10.097 1.411 1.00 0.00 C ATOM 1346 OG1 THR A 86 -1.519 -11.510 1.567 1.00 0.00 O ATOM 1347 CG2 THR A 86 -2.827 -9.830 0.427 1.00 0.00 C ATOM 0 H THR A 86 0.475 -11.010 -0.151 1.00 0.00 H new ATOM 0 HA THR A 86 -0.572 -8.399 0.711 1.00 0.00 H new ATOM 0 HB THR A 86 -1.967 -9.656 2.371 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.584 -11.698 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.742 -10.301 0.786 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.983 -8.755 0.336 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.565 -10.243 -0.547 1.00 0.00 H new ATOM 1355 N LEU A 87 0.972 -8.421 2.665 1.00 0.00 N ATOM 1356 CA LEU A 87 1.946 -8.393 3.749 1.00 0.00 C ATOM 1357 C LEU A 87 1.267 -7.973 5.056 1.00 0.00 C ATOM 1358 O LEU A 87 0.688 -6.891 5.149 1.00 0.00 O ATOM 1359 CB LEU A 87 3.114 -7.462 3.372 1.00 0.00 C ATOM 1360 CG LEU A 87 3.557 -6.440 4.424 1.00 0.00 C ATOM 1361 CD1 LEU A 87 4.033 -7.129 5.687 1.00 0.00 C ATOM 1362 CD2 LEU A 87 4.653 -5.553 3.856 1.00 0.00 C ATOM 0 H LEU A 87 0.579 -7.510 2.427 1.00 0.00 H new ATOM 0 HA LEU A 87 2.356 -9.391 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.974 -8.083 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.836 -6.919 2.468 1.00 0.00 H new ATOM 0 HG LEU A 87 2.699 -5.821 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.341 -6.380 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.222 -7.728 6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.878 -7.776 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.963 -4.829 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.507 -6.167 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.277 -5.026 2.980 1.00 0.00 H new ATOM 1374 N LEU A 88 1.330 -8.852 6.057 1.00 0.00 N ATOM 1375 CA LEU A 88 0.709 -8.593 7.357 1.00 0.00 C ATOM 1376 C LEU A 88 1.696 -7.931 8.311 1.00 0.00 C ATOM 1377 O LEU A 88 2.873 -8.291 8.351 1.00 0.00 O ATOM 1378 CB LEU A 88 0.184 -9.898 7.968 1.00 0.00 C ATOM 1379 CG LEU A 88 -1.324 -10.123 7.826 1.00 0.00 C ATOM 1380 CD1 LEU A 88 -1.655 -11.604 7.936 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -2.082 -9.323 8.876 1.00 0.00 C ATOM 0 H LEU A 88 1.806 -9.752 5.992 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.128 -7.912 7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.706 -10.734 7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.439 -9.913 9.028 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.634 -9.776 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.731 -11.745 7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.140 -12.152 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.332 -11.978 8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.152 -9.494 8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.769 -9.639 9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.869 -8.262 8.749 1.00 0.00 H new ATOM 1393 N GLY A 89 1.216 -6.942 9.061 1.00 0.00 N ATOM 1394 CA GLY A 89 2.081 -6.231 9.982 1.00 0.00 C ATOM 1395 C GLY A 89 3.112 -5.423 9.228 1.00 0.00 C ATOM 1396 O GLY A 89 3.884 -5.979 8.447 1.00 0.00 O ATOM 0 H GLY A 89 0.247 -6.623 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.485 -5.572 10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.579 -6.941 10.643 1.00 0.00 H new ATOM 1400 N ALA A 90 3.119 -4.109 9.428 1.00 0.00 N ATOM 1401 CA ALA A 90 4.061 -3.266 8.714 1.00 0.00 C ATOM 1402 C ALA A 90 5.464 -3.381 9.291 1.00 0.00 C ATOM 1403 O ALA A 90 5.758 -2.861 10.368 1.00 0.00 O ATOM 1404 CB ALA A 90 3.593 -1.821 8.741 1.00 0.00 C ATOM 0 H ALA A 90 2.495 -3.616 10.066 1.00 0.00 H new ATOM 0 HA ALA A 90 4.101 -3.609 7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.307 -1.197 8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.615 -1.746 8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.521 -1.481 9.774 1.00 0.00 H new ATOM 1410 N ASN A 91 6.332 -4.031 8.532 1.00 0.00 N ATOM 1411 CA ASN A 91 7.727 -4.194 8.903 1.00 0.00 C ATOM 1412 C ASN A 91 8.588 -3.599 7.800 1.00 0.00 C ATOM 1413 O ASN A 91 8.314 -3.817 6.620 1.00 0.00 O ATOM 1414 CB ASN A 91 8.063 -5.671 9.128 1.00 0.00 C ATOM 1415 CG ASN A 91 7.396 -6.239 10.368 1.00 0.00 C ATOM 1416 OD1 ASN A 91 7.472 -5.510 11.477 1.00 0.00 O flip ATOM 1417 ND2 ASN A 91 6.817 -7.325 10.329 1.00 0.00 N flip ATOM 0 H ASN A 91 6.088 -4.461 7.640 1.00 0.00 H new ATOM 0 HA ASN A 91 7.924 -3.675 9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.752 -6.247 8.257 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.143 -5.785 9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.782 -7.853 9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.373 -7.696 11.169 1.00 0.00 H new ATOM 1424 N ASP A 92 9.614 -2.841 8.159 1.00 0.00 N ATOM 1425 CA ASP A 92 10.459 -2.235 7.140 1.00 0.00 C ATOM 1426 C ASP A 92 11.207 -3.321 6.361 1.00 0.00 C ATOM 1427 O ASP A 92 11.309 -3.275 5.138 1.00 0.00 O ATOM 1428 CB ASP A 92 11.466 -1.287 7.794 1.00 0.00 C ATOM 1429 CG ASP A 92 12.195 -1.931 8.957 1.00 0.00 C ATOM 1430 OD1 ASP A 92 11.621 -1.976 10.066 1.00 0.00 O ATOM 1431 OD2 ASP A 92 13.339 -2.392 8.759 1.00 0.00 O ATOM 0 H ASP A 92 9.877 -2.634 9.122 1.00 0.00 H new ATOM 0 HA ASP A 92 9.829 -1.672 6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.192 -0.962 7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.947 -0.395 8.143 1.00 0.00 H new ATOM 1436 N SER A 93 11.721 -4.304 7.095 1.00 0.00 N ATOM 1437 CA SER A 93 12.465 -5.420 6.515 1.00 0.00 C ATOM 1438 C SER A 93 11.590 -6.404 5.738 1.00 0.00 C ATOM 1439 O SER A 93 12.009 -6.934 4.709 1.00 0.00 O ATOM 1440 CB SER A 93 13.211 -6.168 7.611 1.00 0.00 C ATOM 1441 OG SER A 93 13.624 -5.289 8.643 1.00 0.00 O ATOM 0 H SER A 93 11.634 -4.350 8.110 1.00 0.00 H new ATOM 0 HA SER A 93 13.161 -4.983 5.799 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.569 -6.944 8.027 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.081 -6.668 7.186 1.00 0.00 H new ATOM 0 HG SER A 93 14.099 -5.796 9.334 1.00 0.00 H new ATOM 1447 N ALA A 94 10.394 -6.677 6.250 1.00 0.00 N ATOM 1448 CA ALA A 94 9.498 -7.636 5.608 1.00 0.00 C ATOM 1449 C ALA A 94 8.987 -7.092 4.305 1.00 0.00 C ATOM 1450 O ALA A 94 8.904 -7.808 3.307 1.00 0.00 O ATOM 1451 CB ALA A 94 8.344 -8.002 6.528 1.00 0.00 C ATOM 0 H ALA A 94 10.024 -6.252 7.100 1.00 0.00 H new ATOM 0 HA ALA A 94 10.065 -8.544 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.692 -8.717 6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.735 -8.447 7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.777 -7.105 6.775 1.00 0.00 H new ATOM 1457 N LEU A 95 8.675 -5.817 4.304 1.00 0.00 N ATOM 1458 CA LEU A 95 8.209 -5.184 3.107 1.00 0.00 C ATOM 1459 C LEU A 95 9.369 -5.042 2.141 1.00 0.00 C ATOM 1460 O LEU A 95 9.187 -5.121 0.929 1.00 0.00 O ATOM 1461 CB LEU A 95 7.619 -3.817 3.412 1.00 0.00 C ATOM 1462 CG LEU A 95 7.769 -2.808 2.279 1.00 0.00 C ATOM 1463 CD1 LEU A 95 6.479 -2.708 1.495 1.00 0.00 C ATOM 1464 CD2 LEU A 95 8.231 -1.467 2.816 1.00 0.00 C ATOM 0 H LEU A 95 8.737 -5.206 5.118 1.00 0.00 H new ATOM 0 HA LEU A 95 7.426 -5.798 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.560 -3.933 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.098 -3.417 4.306 1.00 0.00 H new ATOM 0 HG LEU A 95 8.539 -3.152 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.598 -1.984 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.232 -3.683 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.675 -2.385 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.332 -0.760 1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.499 -1.089 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.194 -1.586 3.312 1.00 0.00 H new ATOM 1476 N LYS A 96 10.570 -4.835 2.687 1.00 0.00 N ATOM 1477 CA LYS A 96 11.749 -4.679 1.854 1.00 0.00 C ATOM 1478 C LYS A 96 11.857 -5.878 0.934 1.00 0.00 C ATOM 1479 O LYS A 96 12.081 -5.743 -0.267 1.00 0.00 O ATOM 1480 CB LYS A 96 13.006 -4.562 2.722 1.00 0.00 C ATOM 1481 CG LYS A 96 14.299 -4.512 1.923 1.00 0.00 C ATOM 1482 CD LYS A 96 14.471 -3.176 1.217 1.00 0.00 C ATOM 1483 CE LYS A 96 15.663 -2.405 1.762 1.00 0.00 C ATOM 1484 NZ LYS A 96 15.520 -0.937 1.554 1.00 0.00 N ATOM 0 H LYS A 96 10.744 -4.773 3.690 1.00 0.00 H new ATOM 0 HA LYS A 96 11.661 -3.767 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.932 -3.663 3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.045 -5.410 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.145 -4.684 2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.304 -5.316 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.603 -3.343 0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.566 -2.581 1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.772 -2.611 2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.574 -2.753 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.440 -0.474 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.191 -0.754 0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.829 -0.556 2.232 1.00 0.00 H new ATOM 1498 N GLN A 97 11.652 -7.051 1.509 1.00 0.00 N ATOM 1499 CA GLN A 97 11.683 -8.282 0.747 1.00 0.00 C ATOM 1500 C GLN A 97 10.448 -8.383 -0.146 1.00 0.00 C ATOM 1501 O GLN A 97 10.511 -8.950 -1.237 1.00 0.00 O ATOM 1502 CB GLN A 97 11.756 -9.490 1.683 1.00 0.00 C ATOM 1503 CG GLN A 97 13.175 -9.882 2.060 1.00 0.00 C ATOM 1504 CD GLN A 97 13.961 -8.727 2.649 1.00 0.00 C ATOM 1505 OE1 GLN A 97 14.171 -7.706 1.995 1.00 0.00 O ATOM 1506 NE2 GLN A 97 14.400 -8.884 3.893 1.00 0.00 N ATOM 0 H GLN A 97 11.462 -7.174 2.504 1.00 0.00 H new ATOM 0 HA GLN A 97 12.573 -8.276 0.118 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.195 -9.270 2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 97 11.268 -10.339 1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 97 13.143 -10.700 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.692 -10.255 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.203 -9.748 4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.934 -8.141 4.343 1.00 0.00 H new ATOM 1515 N LEU A 98 9.318 -7.835 0.320 1.00 0.00 N ATOM 1516 CA LEU A 98 8.087 -7.882 -0.451 1.00 0.00 C ATOM 1517 C LEU A 98 8.176 -7.016 -1.705 1.00 0.00 C ATOM 1518 O LEU A 98 7.859 -7.463 -2.807 1.00 0.00 O ATOM 1519 CB LEU A 98 6.921 -7.428 0.417 1.00 0.00 C ATOM 1520 CG LEU A 98 5.620 -7.204 -0.338 1.00 0.00 C ATOM 1521 CD1 LEU A 98 5.295 -8.405 -1.214 1.00 0.00 C ATOM 1522 CD2 LEU A 98 4.487 -6.926 0.630 1.00 0.00 C ATOM 0 H LEU A 98 9.239 -7.360 1.219 1.00 0.00 H new ATOM 0 HA LEU A 98 7.927 -8.912 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.751 -8.174 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.198 -6.501 0.920 1.00 0.00 H new ATOM 0 HG LEU A 98 5.742 -6.334 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.361 -8.225 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.099 -8.558 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.192 -9.293 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.563 -6.768 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.365 -7.776 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.717 -6.034 1.212 1.00 0.00 H new ATOM 1534 N ILE A 99 8.610 -5.773 -1.523 1.00 0.00 N ATOM 1535 CA ILE A 99 8.744 -4.836 -2.624 1.00 0.00 C ATOM 1536 C ILE A 99 9.863 -5.240 -3.558 1.00 0.00 C ATOM 1537 O ILE A 99 9.795 -5.028 -4.766 1.00 0.00 O ATOM 1538 CB ILE A 99 8.935 -3.379 -2.134 1.00 0.00 C ATOM 1539 CG1 ILE A 99 9.163 -2.482 -3.315 1.00 0.00 C ATOM 1540 CG2 ILE A 99 10.075 -3.183 -1.139 1.00 0.00 C ATOM 1541 CD1 ILE A 99 7.956 -2.360 -4.199 1.00 0.00 C ATOM 0 H ILE A 99 8.876 -5.393 -0.615 1.00 0.00 H new ATOM 0 HA ILE A 99 7.807 -4.870 -3.180 1.00 0.00 H new ATOM 0 HB ILE A 99 8.019 -3.126 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.450 -1.491 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.998 -2.866 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.132 -2.133 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.893 -3.791 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.016 -3.485 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.183 -1.699 -5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.682 -3.344 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.125 -1.948 -3.626 1.00 0.00 H new ATOM 1553 N GLU A 100 10.883 -5.820 -2.986 1.00 0.00 N ATOM 1554 CA GLU A 100 12.031 -6.262 -3.737 1.00 0.00 C ATOM 1555 C GLU A 100 11.667 -7.338 -4.758 1.00 0.00 C ATOM 1556 O GLU A 100 12.307 -7.463 -5.795 1.00 0.00 O ATOM 1557 CB GLU A 100 13.112 -6.772 -2.787 1.00 0.00 C ATOM 1558 CG GLU A 100 14.111 -5.701 -2.386 1.00 0.00 C ATOM 1559 CD GLU A 100 15.457 -6.276 -1.984 1.00 0.00 C ATOM 1560 OE1 GLU A 100 15.972 -7.149 -2.713 1.00 0.00 O ATOM 1561 OE2 GLU A 100 15.995 -5.852 -0.939 1.00 0.00 O ATOM 0 H GLU A 100 10.943 -6.001 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 100 12.413 -5.406 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.639 -7.172 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.644 -7.596 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.250 -5.010 -3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.705 -5.124 -1.556 1.00 0.00 H new ATOM 1568 N LYS A 101 10.675 -8.145 -4.433 1.00 0.00 N ATOM 1569 CA LYS A 101 10.270 -9.249 -5.299 1.00 0.00 C ATOM 1570 C LYS A 101 9.737 -8.790 -6.644 1.00 0.00 C ATOM 1571 O LYS A 101 10.086 -9.343 -7.687 1.00 0.00 O ATOM 1572 CB LYS A 101 9.166 -10.030 -4.600 1.00 0.00 C ATOM 1573 CG LYS A 101 9.475 -11.504 -4.394 1.00 0.00 C ATOM 1574 CD LYS A 101 8.339 -12.375 -4.911 1.00 0.00 C ATOM 1575 CE LYS A 101 7.136 -12.332 -3.983 1.00 0.00 C ATOM 1576 NZ LYS A 101 7.002 -13.583 -3.188 1.00 0.00 N ATOM 0 H LYS A 101 10.130 -8.061 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 101 11.157 -9.855 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.972 -9.573 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.249 -9.941 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.400 -11.761 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.636 -11.701 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.045 -12.039 -5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.685 -13.404 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.229 -11.481 -3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.231 -12.176 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.170 -13.513 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.888 -14.392 -3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.855 -13.719 -2.608 1.00 0.00 H new ATOM 1590 N TYR A 102 8.875 -7.796 -6.611 1.00 0.00 N ATOM 1591 CA TYR A 102 8.270 -7.278 -7.821 1.00 0.00 C ATOM 1592 C TYR A 102 8.962 -6.013 -8.276 1.00 0.00 C ATOM 1593 O TYR A 102 9.033 -5.719 -9.469 1.00 0.00 O ATOM 1594 CB TYR A 102 6.791 -7.011 -7.582 1.00 0.00 C ATOM 1595 CG TYR A 102 6.143 -8.031 -6.680 1.00 0.00 C ATOM 1596 CD1 TYR A 102 5.952 -9.337 -7.107 1.00 0.00 C ATOM 1597 CD2 TYR A 102 5.726 -7.687 -5.403 1.00 0.00 C ATOM 1598 CE1 TYR A 102 5.359 -10.275 -6.287 1.00 0.00 C ATOM 1599 CE2 TYR A 102 5.129 -8.620 -4.576 1.00 0.00 C ATOM 1600 CZ TYR A 102 4.946 -9.912 -5.024 1.00 0.00 C ATOM 1601 OH TYR A 102 4.357 -10.846 -4.204 1.00 0.00 O ATOM 0 H TYR A 102 8.576 -7.328 -5.755 1.00 0.00 H new ATOM 0 HA TYR A 102 8.380 -8.024 -8.609 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.673 -6.020 -7.143 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.271 -6.999 -8.540 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.273 -9.624 -8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.870 -6.677 -5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.219 -11.288 -6.634 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.807 -8.339 -3.584 1.00 0.00 H new ATOM 0 HH TYR A 102 4.091 -11.626 -4.735 1.00 0.00 H new ATOM 1611 N ALA A 103 9.460 -5.260 -7.311 1.00 0.00 N ATOM 1612 CA ALA A 103 10.132 -4.014 -7.606 1.00 0.00 C ATOM 1613 C ALA A 103 11.620 -4.231 -7.752 1.00 0.00 C ATOM 1614 O ALA A 103 12.271 -3.591 -8.579 1.00 0.00 O ATOM 1615 CB ALA A 103 9.833 -3.000 -6.523 1.00 0.00 C ATOM 0 H ALA A 103 9.410 -5.492 -6.319 1.00 0.00 H new ATOM 0 HA ALA A 103 9.760 -3.627 -8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.342 -2.063 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.758 -2.826 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.183 -3.379 -5.563 1.00 0.00 H new ATOM 1621 N ALA A 104 12.161 -5.142 -6.956 1.00 0.00 N ATOM 1622 CA ALA A 104 13.585 -5.423 -7.034 1.00 0.00 C ATOM 1623 C ALA A 104 13.860 -6.779 -7.676 1.00 0.00 C ATOM 1624 CB ALA A 104 14.240 -5.334 -5.666 1.00 0.00 C ATOM 0 H ALA A 104 11.648 -5.688 -6.264 1.00 0.00 H new ATOM 0 HA ALA A 104 14.027 -4.659 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.305 -5.549 -5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.106 -4.330 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.780 -6.059 -4.994 1.00 0.00 H new