USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 48 CYS SG : rot 180:sc= -1.32 USER MOD Set 1.2: A 52 SER OG : rot -120:sc= 0.418 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 9 THR OG1 : rot -22:sc= 0.742 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0252 K(o=-0.025,f=-1.1) USER MOD Single : A 14 HIS : no HD1:sc= -1.02 K(o=-1,f=-5.3!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -87:sc= 0.251 USER MOD Single : A 25 THR OG1 : rot 11:sc= 0.896 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= -1.22 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.319 USER MOD Single : A 59 ASN : amide:sc= -1.1 K(o=-1.1,f=-16!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 180:sc= 0.0148 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -50:sc= 0.472 USER MOD Single : A 87 ASN : amide:sc= -1.68 K(o=-1.7,f=-8.5!) USER MOD Single : A 92 SER OG : rot -150:sc= -0.611 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 9 -0.276 10.733 1.445 1.00 0.00 N ATOM 81 CA THR A 9 -1.597 10.185 1.190 1.00 0.00 C ATOM 82 C THR A 9 -1.990 9.203 2.296 1.00 0.00 C ATOM 83 O THR A 9 -1.135 8.730 3.043 1.00 0.00 O ATOM 84 CB THR A 9 -1.587 9.557 -0.205 1.00 0.00 C ATOM 85 OG1 THR A 9 -0.337 8.877 -0.271 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.502 10.603 -1.317 1.00 0.00 C ATOM 0 HA THR A 9 -2.358 10.965 1.206 1.00 0.00 H new ATOM 0 HB THR A 9 -2.487 8.957 -0.339 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.283 9.268 0.380 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.498 10.104 -2.286 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.362 11.270 -1.256 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.585 11.182 -1.203 1.00 0.00 H new ATOM 94 N SER A 10 -3.283 8.925 2.365 1.00 0.00 N ATOM 95 CA SER A 10 -3.799 8.008 3.367 1.00 0.00 C ATOM 96 C SER A 10 -3.329 6.583 3.064 1.00 0.00 C ATOM 97 O SER A 10 -3.458 6.110 1.936 1.00 0.00 O ATOM 98 CB SER A 10 -5.327 8.061 3.427 1.00 0.00 C ATOM 99 OG SER A 10 -5.809 8.062 4.768 1.00 0.00 O ATOM 0 H SER A 10 -3.989 9.319 1.743 1.00 0.00 H new ATOM 0 HA SER A 10 -3.413 8.312 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.679 8.956 2.915 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.741 7.205 2.894 1.00 0.00 H new ATOM 0 HG SER A 10 -6.788 8.098 4.764 1.00 0.00 H new ATOM 105 N ALA A 11 -2.794 5.940 4.091 1.00 0.00 N ATOM 106 CA ALA A 11 -2.304 4.580 3.949 1.00 0.00 C ATOM 107 C ALA A 11 -3.318 3.758 3.151 1.00 0.00 C ATOM 108 O ALA A 11 -4.489 4.125 3.063 1.00 0.00 O ATOM 109 CB ALA A 11 -2.035 3.987 5.334 1.00 0.00 C ATOM 0 H ALA A 11 -2.689 6.336 5.025 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.363 4.567 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.667 2.966 5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.287 4.590 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.958 3.981 5.913 1.00 0.00 H new ATOM 115 N PRO A 12 -2.818 2.632 2.573 1.00 0.00 N ATOM 116 CA PRO A 12 -3.667 1.756 1.785 1.00 0.00 C ATOM 117 C PRO A 12 -4.586 0.927 2.685 1.00 0.00 C ATOM 118 O PRO A 12 -4.297 0.736 3.865 1.00 0.00 O ATOM 119 CB PRO A 12 -2.706 0.904 0.972 1.00 0.00 C ATOM 120 CG PRO A 12 -1.361 1.010 1.673 1.00 0.00 C ATOM 121 CD PRO A 12 -1.437 2.167 2.655 1.00 0.00 C ATOM 0 HA PRO A 12 -4.344 2.304 1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.043 -0.132 0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.640 1.262 -0.056 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.128 0.082 2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.565 1.177 0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.187 1.845 3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.736 2.958 2.390 1.00 0.00 H new ATOM 129 N GLN A 13 -5.674 0.457 2.093 1.00 0.00 N ATOM 130 CA GLN A 13 -6.637 -0.346 2.826 1.00 0.00 C ATOM 131 C GLN A 13 -7.166 -1.478 1.943 1.00 0.00 C ATOM 132 O GLN A 13 -7.054 -1.420 0.720 1.00 0.00 O ATOM 133 CB GLN A 13 -7.784 0.519 3.355 1.00 0.00 C ATOM 134 CG GLN A 13 -7.932 1.797 2.527 1.00 0.00 C ATOM 135 CD GLN A 13 -9.326 2.404 2.702 1.00 0.00 C ATOM 136 OE1 GLN A 13 -10.105 2.001 3.550 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.595 3.394 1.855 1.00 0.00 N ATOM 0 H GLN A 13 -5.910 0.617 1.114 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.133 -0.787 3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.715 -0.047 3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.599 0.776 4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.175 2.521 2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.757 1.575 1.474 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.897 3.682 1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.499 3.865 1.892 1.00 0.00 H new ATOM 146 N HIS A 14 -7.732 -2.482 2.598 1.00 0.00 N ATOM 147 CA HIS A 14 -8.278 -3.625 1.888 1.00 0.00 C ATOM 148 C HIS A 14 -7.148 -4.383 1.188 1.00 0.00 C ATOM 149 O HIS A 14 -7.278 -4.765 0.026 1.00 0.00 O ATOM 150 CB HIS A 14 -9.385 -3.189 0.925 1.00 0.00 C ATOM 151 CG HIS A 14 -10.679 -2.813 1.607 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.673 -3.734 1.887 1.00 0.00 N ATOM 153 CD2 HIS A 14 -11.130 -1.609 2.061 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.673 -3.101 2.482 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.335 -1.784 2.589 1.00 0.00 N ATOM 0 H HIS A 14 -7.824 -2.527 3.613 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.743 -4.310 2.598 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.032 -2.337 0.343 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.579 -3.998 0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.597 -0.672 2.001 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.595 -3.549 2.823 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.913 -1.054 3.006 1.00 0.00 H new ATOM 163 N LEU A 15 -6.064 -4.578 1.925 1.00 0.00 N ATOM 164 CA LEU A 15 -4.912 -5.283 1.390 1.00 0.00 C ATOM 165 C LEU A 15 -4.961 -6.745 1.838 1.00 0.00 C ATOM 166 O LEU A 15 -4.737 -7.047 3.009 1.00 0.00 O ATOM 167 CB LEU A 15 -3.618 -4.564 1.776 1.00 0.00 C ATOM 168 CG LEU A 15 -2.317 -5.276 1.397 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.996 -5.078 -0.085 1.00 0.00 C ATOM 170 CD2 LEU A 15 -1.165 -4.828 2.298 1.00 0.00 C ATOM 0 H LEU A 15 -5.960 -4.260 2.888 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.937 -5.283 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.620 -3.579 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.621 -4.405 2.854 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.453 -6.346 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.067 -5.594 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.806 -5.485 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.886 -4.014 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.252 -5.349 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.018 -3.753 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.402 -5.063 3.336 1.00 0.00 H new ATOM 182 N THR A 16 -5.257 -7.614 0.882 1.00 0.00 N ATOM 183 CA THR A 16 -5.338 -9.037 1.163 1.00 0.00 C ATOM 184 C THR A 16 -4.608 -9.837 0.082 1.00 0.00 C ATOM 185 O THR A 16 -4.179 -9.277 -0.925 1.00 0.00 O ATOM 186 CB THR A 16 -6.816 -9.408 1.300 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.465 -8.622 0.304 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.424 -8.918 2.616 1.00 0.00 C ATOM 0 H THR A 16 -5.444 -7.360 -0.088 1.00 0.00 H new ATOM 0 HA THR A 16 -4.838 -9.284 2.099 1.00 0.00 H new ATOM 0 HB THR A 16 -6.926 -10.490 1.230 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.428 -8.802 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.474 -9.208 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.887 -9.364 3.453 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.344 -7.832 2.672 1.00 0.00 H new ATOM 196 N VAL A 17 -4.490 -11.133 0.329 1.00 0.00 N ATOM 197 CA VAL A 17 -3.819 -12.015 -0.610 1.00 0.00 C ATOM 198 C VAL A 17 -4.856 -12.640 -1.546 1.00 0.00 C ATOM 199 O VAL A 17 -5.676 -13.451 -1.117 1.00 0.00 O ATOM 200 CB VAL A 17 -2.994 -13.057 0.148 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.459 -14.130 -0.803 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.854 -12.394 0.924 1.00 0.00 C ATOM 0 H VAL A 17 -4.848 -11.593 1.166 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.119 -11.453 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.650 -13.545 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.876 -14.858 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.294 -14.633 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.825 -13.664 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.283 -13.156 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.199 -11.867 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.267 -11.685 1.642 1.00 0.00 H new ATOM 212 N GLU A 18 -4.787 -12.239 -2.807 1.00 0.00 N ATOM 213 CA GLU A 18 -5.709 -12.750 -3.806 1.00 0.00 C ATOM 214 C GLU A 18 -5.357 -14.195 -4.165 1.00 0.00 C ATOM 215 O GLU A 18 -6.223 -15.069 -4.156 1.00 0.00 O ATOM 216 CB GLU A 18 -5.714 -11.862 -5.052 1.00 0.00 C ATOM 217 CG GLU A 18 -6.140 -10.434 -4.706 1.00 0.00 C ATOM 218 CD GLU A 18 -7.450 -10.428 -3.915 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.304 -11.287 -4.226 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.568 -9.565 -3.019 1.00 0.00 O ATOM 0 H GLU A 18 -4.106 -11.566 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.714 -12.736 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.720 -11.851 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.393 -12.278 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.357 -9.948 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.261 -9.855 -5.622 1.00 0.00 H new ATOM 227 N ASP A 19 -4.085 -14.402 -4.471 1.00 0.00 N ATOM 228 CA ASP A 19 -3.608 -15.726 -4.832 1.00 0.00 C ATOM 229 C ASP A 19 -2.180 -15.908 -4.314 1.00 0.00 C ATOM 230 O ASP A 19 -1.500 -14.931 -4.003 1.00 0.00 O ATOM 231 CB ASP A 19 -3.587 -15.909 -6.351 1.00 0.00 C ATOM 232 CG ASP A 19 -3.575 -17.364 -6.827 1.00 0.00 C ATOM 233 OD1 ASP A 19 -4.666 -17.974 -6.812 1.00 0.00 O ATOM 234 OD2 ASP A 19 -2.476 -17.831 -7.194 1.00 0.00 O ATOM 0 H ASP A 19 -3.370 -13.675 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.282 -16.459 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.460 -15.411 -6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.707 -15.404 -6.751 1.00 0.00 H new ATOM 239 N VAL A 20 -1.767 -17.164 -4.238 1.00 0.00 N ATOM 240 CA VAL A 20 -0.432 -17.486 -3.763 1.00 0.00 C ATOM 241 C VAL A 20 0.175 -18.570 -4.657 1.00 0.00 C ATOM 242 O VAL A 20 -0.448 -19.603 -4.895 1.00 0.00 O ATOM 243 CB VAL A 20 -0.484 -17.888 -2.288 1.00 0.00 C ATOM 244 CG1 VAL A 20 0.851 -18.482 -1.834 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.883 -16.701 -1.410 1.00 0.00 C ATOM 0 H VAL A 20 -2.333 -17.972 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 20 0.217 -16.612 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.248 -18.658 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.787 -18.759 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.077 -19.367 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.642 -17.744 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.912 -17.014 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.154 -15.900 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.868 -16.342 -1.709 1.00 0.00 H new ATOM 255 N THR A 21 1.383 -18.296 -5.127 1.00 0.00 N ATOM 256 CA THR A 21 2.081 -19.234 -5.989 1.00 0.00 C ATOM 257 C THR A 21 3.119 -20.023 -5.189 1.00 0.00 C ATOM 258 O THR A 21 3.013 -20.136 -3.969 1.00 0.00 O ATOM 259 CB THR A 21 2.682 -18.447 -7.155 1.00 0.00 C ATOM 260 OG1 THR A 21 1.863 -17.285 -7.249 1.00 0.00 O ATOM 261 CG2 THR A 21 2.485 -19.151 -8.500 1.00 0.00 C ATOM 0 H THR A 21 1.896 -17.437 -4.927 1.00 0.00 H new ATOM 0 HA THR A 21 1.398 -19.979 -6.398 1.00 0.00 H new ATOM 0 HB THR A 21 3.746 -18.293 -6.978 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.184 -16.717 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.930 -18.551 -9.294 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.965 -20.129 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.419 -19.275 -8.693 1.00 0.00 H new ATOM 269 N ASP A 22 4.100 -20.548 -5.909 1.00 0.00 N ATOM 270 CA ASP A 22 5.156 -21.323 -5.281 1.00 0.00 C ATOM 271 C ASP A 22 6.353 -20.412 -5.000 1.00 0.00 C ATOM 272 O ASP A 22 6.960 -20.489 -3.933 1.00 0.00 O ATOM 273 CB ASP A 22 5.628 -22.454 -6.196 1.00 0.00 C ATOM 274 CG ASP A 22 5.815 -22.064 -7.664 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.826 -21.575 -8.251 1.00 0.00 O ATOM 276 OD2 ASP A 22 6.943 -22.263 -8.165 1.00 0.00 O ATOM 0 H ASP A 22 4.185 -20.452 -6.921 1.00 0.00 H new ATOM 0 HA ASP A 22 4.760 -21.747 -4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.574 -22.839 -5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.907 -23.270 -6.142 1.00 0.00 H new ATOM 281 N THR A 23 6.657 -19.570 -5.977 1.00 0.00 N ATOM 282 CA THR A 23 7.771 -18.645 -5.849 1.00 0.00 C ATOM 283 C THR A 23 7.293 -17.205 -6.044 1.00 0.00 C ATOM 284 O THR A 23 8.105 -16.290 -6.176 1.00 0.00 O ATOM 285 CB THR A 23 8.852 -19.067 -6.845 1.00 0.00 C ATOM 286 OG1 THR A 23 8.125 -19.419 -8.019 1.00 0.00 O ATOM 287 CG2 THR A 23 9.552 -20.365 -6.436 1.00 0.00 C ATOM 0 H THR A 23 6.151 -19.509 -6.861 1.00 0.00 H new ATOM 0 HA THR A 23 8.201 -18.679 -4.848 1.00 0.00 H new ATOM 0 HB THR A 23 9.590 -18.271 -6.937 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.861 -20.361 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.310 -20.619 -7.177 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.026 -20.232 -5.463 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.820 -21.170 -6.376 1.00 0.00 H new ATOM 295 N THR A 24 5.977 -17.048 -6.055 1.00 0.00 N ATOM 296 CA THR A 24 5.382 -15.735 -6.232 1.00 0.00 C ATOM 297 C THR A 24 4.095 -15.618 -5.412 1.00 0.00 C ATOM 298 O THR A 24 3.602 -16.611 -4.879 1.00 0.00 O ATOM 299 CB THR A 24 5.171 -15.509 -7.730 1.00 0.00 C ATOM 300 OG1 THR A 24 4.821 -16.797 -8.230 1.00 0.00 O ATOM 301 CG2 THR A 24 6.471 -15.167 -8.460 1.00 0.00 C ATOM 0 H THR A 24 5.307 -17.809 -5.944 1.00 0.00 H new ATOM 0 HA THR A 24 6.040 -14.949 -5.860 1.00 0.00 H new ATOM 0 HB THR A 24 4.450 -14.705 -7.877 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.665 -16.742 -9.196 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.265 -15.017 -9.520 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.895 -14.255 -8.040 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.181 -15.985 -8.341 1.00 0.00 H new ATOM 309 N THR A 25 3.587 -14.397 -5.337 1.00 0.00 N ATOM 310 CA THR A 25 2.367 -14.138 -4.592 1.00 0.00 C ATOM 311 C THR A 25 1.660 -12.897 -5.141 1.00 0.00 C ATOM 312 O THR A 25 2.312 -11.956 -5.592 1.00 0.00 O ATOM 313 CB THR A 25 2.733 -14.024 -3.111 1.00 0.00 C ATOM 314 OG1 THR A 25 2.797 -15.375 -2.664 1.00 0.00 O ATOM 315 CG2 THR A 25 1.609 -13.408 -2.276 1.00 0.00 C ATOM 0 H THR A 25 3.998 -13.576 -5.780 1.00 0.00 H new ATOM 0 HA THR A 25 1.654 -14.955 -4.703 1.00 0.00 H new ATOM 0 HB THR A 25 3.635 -13.422 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.769 -15.977 -3.437 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.920 -13.350 -1.233 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.389 -12.406 -2.645 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.716 -14.028 -2.354 1.00 0.00 H new ATOM 323 N THR A 26 0.337 -12.934 -5.084 1.00 0.00 N ATOM 324 CA THR A 26 -0.465 -11.824 -5.569 1.00 0.00 C ATOM 325 C THR A 26 -1.017 -11.012 -4.396 1.00 0.00 C ATOM 326 O THR A 26 -1.352 -11.571 -3.353 1.00 0.00 O ATOM 327 CB THR A 26 -1.554 -12.392 -6.482 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.833 -13.128 -7.466 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.273 -11.303 -7.282 1.00 0.00 C ATOM 0 H THR A 26 -0.200 -13.716 -4.709 1.00 0.00 H new ATOM 0 HA THR A 26 0.136 -11.126 -6.151 1.00 0.00 H new ATOM 0 HB THR A 26 -2.280 -12.942 -5.883 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.463 -13.532 -8.099 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.036 -11.759 -7.913 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.744 -10.598 -6.596 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.553 -10.775 -7.907 1.00 0.00 H new ATOM 337 N LEU A 27 -1.095 -9.707 -4.606 1.00 0.00 N ATOM 338 CA LEU A 27 -1.601 -8.812 -3.579 1.00 0.00 C ATOM 339 C LEU A 27 -2.558 -7.802 -4.215 1.00 0.00 C ATOM 340 O LEU A 27 -2.329 -7.342 -5.333 1.00 0.00 O ATOM 341 CB LEU A 27 -0.445 -8.166 -2.814 1.00 0.00 C ATOM 342 CG LEU A 27 0.444 -9.119 -2.012 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.751 -8.436 -1.605 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.307 -9.685 -0.806 1.00 0.00 C ATOM 0 H LEU A 27 -0.816 -9.247 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.172 -9.369 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.181 -7.630 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.857 -7.424 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 27 0.706 -9.962 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.365 -9.134 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.291 -8.122 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.530 -7.564 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.347 -10.359 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.619 -8.868 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.185 -10.232 -1.148 1.00 0.00 H new ATOM 356 N LYS A 28 -3.611 -7.486 -3.476 1.00 0.00 N ATOM 357 CA LYS A 28 -4.604 -6.538 -3.953 1.00 0.00 C ATOM 358 C LYS A 28 -4.991 -5.594 -2.814 1.00 0.00 C ATOM 359 O LYS A 28 -5.318 -6.041 -1.716 1.00 0.00 O ATOM 360 CB LYS A 28 -5.794 -7.275 -4.572 1.00 0.00 C ATOM 361 CG LYS A 28 -6.976 -6.328 -4.783 1.00 0.00 C ATOM 362 CD LYS A 28 -7.473 -6.384 -6.229 1.00 0.00 C ATOM 363 CE LYS A 28 -8.906 -5.859 -6.338 1.00 0.00 C ATOM 364 NZ LYS A 28 -9.487 -6.208 -7.653 1.00 0.00 N ATOM 0 H LYS A 28 -3.798 -7.870 -2.550 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.190 -5.922 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.499 -7.712 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.094 -8.098 -3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.787 -6.596 -4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.678 -5.309 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.816 -5.792 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.430 -7.411 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.516 -6.282 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.914 -4.777 -6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.460 -5.844 -7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.913 -5.784 -8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.497 -7.242 -7.765 1.00 0.00 H new ATOM 378 N TRP A 29 -4.942 -4.304 -3.114 1.00 0.00 N ATOM 379 CA TRP A 29 -5.283 -3.293 -2.129 1.00 0.00 C ATOM 380 C TRP A 29 -6.223 -2.284 -2.793 1.00 0.00 C ATOM 381 O TRP A 29 -6.597 -2.449 -3.953 1.00 0.00 O ATOM 382 CB TRP A 29 -4.024 -2.645 -1.549 1.00 0.00 C ATOM 383 CG TRP A 29 -3.230 -1.814 -2.559 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.563 -0.633 -3.099 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.949 -2.151 -3.132 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.594 -0.187 -3.974 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.582 -1.139 -3.995 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.129 -3.274 -2.928 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.385 -1.148 -4.722 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.063 -3.268 -3.662 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.448 -2.257 -4.535 1.00 0.00 C ATOM 0 H TRP A 29 -4.671 -3.936 -4.026 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.797 -3.741 -1.279 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.309 -2.007 -0.713 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.378 -3.426 -1.148 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.475 -0.098 -2.877 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.616 0.682 -4.508 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.397 -4.078 -2.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.119 -0.343 -5.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.731 -4.108 -3.542 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.386 -2.327 -5.066 1.00 0.00 H new ATOM 402 N ARG A 30 -6.578 -1.262 -2.028 1.00 0.00 N ATOM 403 CA ARG A 30 -7.467 -0.227 -2.527 1.00 0.00 C ATOM 404 C ARG A 30 -6.849 1.156 -2.305 1.00 0.00 C ATOM 405 O ARG A 30 -6.038 1.338 -1.399 1.00 0.00 O ATOM 406 CB ARG A 30 -8.828 -0.288 -1.833 1.00 0.00 C ATOM 407 CG ARG A 30 -9.627 -1.506 -2.298 1.00 0.00 C ATOM 408 CD ARG A 30 -11.104 -1.154 -2.487 1.00 0.00 C ATOM 409 NE ARG A 30 -11.823 -1.280 -1.199 1.00 0.00 N ATOM 410 CZ ARG A 30 -13.008 -0.710 -0.942 1.00 0.00 C ATOM 411 NH1 ARG A 30 -13.615 0.028 -1.881 1.00 0.00 N ATOM 412 NH2 ARG A 30 -13.586 -0.879 0.256 1.00 0.00 N ATOM 0 H ARG A 30 -6.266 -1.129 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.609 -0.398 -3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.688 -0.332 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.389 0.622 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.215 -1.879 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.532 -2.309 -1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.198 -0.137 -2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.552 -1.815 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.389 -1.835 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.175 0.156 -2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.517 0.462 -1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.124 -1.441 0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.488 -0.445 0.453 1.00 0.00 H new ATOM 426 N PRO A 31 -7.269 2.118 -3.169 1.00 0.00 N ATOM 427 CA PRO A 31 -6.766 3.478 -3.075 1.00 0.00 C ATOM 428 C PRO A 31 -7.398 4.216 -1.893 1.00 0.00 C ATOM 429 O PRO A 31 -8.470 3.840 -1.423 1.00 0.00 O ATOM 430 CB PRO A 31 -7.097 4.113 -4.416 1.00 0.00 C ATOM 431 CG PRO A 31 -8.178 3.241 -5.035 1.00 0.00 C ATOM 432 CD PRO A 31 -8.229 1.938 -4.254 1.00 0.00 C ATOM 0 HA PRO A 31 -5.694 3.517 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.447 5.137 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.216 4.156 -5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.143 3.746 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.958 3.048 -6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.230 1.746 -3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.961 1.089 -4.883 1.00 0.00 H new ATOM 440 N PRO A 32 -6.687 5.281 -1.435 1.00 0.00 N ATOM 441 CA PRO A 32 -7.167 6.075 -0.316 1.00 0.00 C ATOM 442 C PRO A 32 -8.320 6.985 -0.744 1.00 0.00 C ATOM 443 O PRO A 32 -8.681 7.025 -1.919 1.00 0.00 O ATOM 444 CB PRO A 32 -5.950 6.847 0.168 1.00 0.00 C ATOM 445 CG PRO A 32 -4.952 6.813 -0.977 1.00 0.00 C ATOM 446 CD PRO A 32 -5.414 5.757 -1.967 1.00 0.00 C ATOM 0 HA PRO A 32 -7.581 5.464 0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.215 7.873 0.425 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.530 6.392 1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.892 7.788 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.954 6.578 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.534 6.177 -2.966 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.690 4.946 -2.047 1.00 0.00 H new ATOM 454 N ASP A 33 -8.868 7.692 0.234 1.00 0.00 N ATOM 455 CA ASP A 33 -9.973 8.598 -0.027 1.00 0.00 C ATOM 456 C ASP A 33 -9.461 10.040 -0.009 1.00 0.00 C ATOM 457 O ASP A 33 -9.983 10.897 -0.720 1.00 0.00 O ATOM 458 CB ASP A 33 -11.056 8.469 1.046 1.00 0.00 C ATOM 459 CG ASP A 33 -12.469 8.834 0.586 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.612 9.147 -0.615 1.00 0.00 O ATOM 461 OD2 ASP A 33 -13.375 8.792 1.447 1.00 0.00 O ATOM 0 H ASP A 33 -8.567 7.655 1.208 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.395 8.343 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.063 7.442 1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.789 9.106 1.889 1.00 0.00 H new ATOM 466 N ARG A 34 -8.444 10.262 0.811 1.00 0.00 N ATOM 467 CA ARG A 34 -7.855 11.585 0.930 1.00 0.00 C ATOM 468 C ARG A 34 -6.517 11.639 0.190 1.00 0.00 C ATOM 469 O ARG A 34 -5.457 11.576 0.810 1.00 0.00 O ATOM 470 CB ARG A 34 -7.633 11.959 2.397 1.00 0.00 C ATOM 471 CG ARG A 34 -8.829 12.736 2.952 1.00 0.00 C ATOM 472 CD ARG A 34 -8.428 14.165 3.326 1.00 0.00 C ATOM 473 NE ARG A 34 -9.616 15.047 3.298 1.00 0.00 N ATOM 474 CZ ARG A 34 -10.472 15.187 4.320 1.00 0.00 C ATOM 475 NH1 ARG A 34 -10.277 14.504 5.455 1.00 0.00 N ATOM 476 NH2 ARG A 34 -11.523 16.011 4.205 1.00 0.00 N ATOM 0 H ARG A 34 -8.013 9.548 1.399 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.549 12.298 0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.476 11.056 2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.729 12.561 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.627 12.761 2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.225 12.224 3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.979 14.177 4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.674 14.534 2.630 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.795 15.582 2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.477 13.877 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.928 14.611 6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.671 16.531 3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.175 16.118 4.982 1.00 0.00 H new ATOM 559 N ASP A 41 1.932 8.612 -6.549 1.00 0.00 N ATOM 560 CA ASP A 41 2.913 8.090 -7.485 1.00 0.00 C ATOM 561 C ASP A 41 2.706 6.582 -7.646 1.00 0.00 C ATOM 562 O ASP A 41 2.756 6.061 -8.759 1.00 0.00 O ATOM 563 CB ASP A 41 4.337 8.319 -6.975 1.00 0.00 C ATOM 564 CG ASP A 41 5.254 9.077 -7.938 1.00 0.00 C ATOM 565 OD1 ASP A 41 5.100 10.315 -8.013 1.00 0.00 O ATOM 566 OD2 ASP A 41 6.089 8.400 -8.578 1.00 0.00 O ATOM 0 HA ASP A 41 2.782 8.608 -8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.286 8.870 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.788 7.352 -6.753 1.00 0.00 H new ATOM 571 N GLY A 42 2.478 5.925 -6.519 1.00 0.00 N ATOM 572 CA GLY A 42 2.264 4.487 -6.521 1.00 0.00 C ATOM 573 C GLY A 42 2.387 3.913 -5.108 1.00 0.00 C ATOM 574 O GLY A 42 2.001 4.558 -4.135 1.00 0.00 O ATOM 0 H GLY A 42 2.437 6.361 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.276 4.263 -6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.991 4.008 -7.177 1.00 0.00 H new ATOM 578 N TYR A 43 2.927 2.704 -5.041 1.00 0.00 N ATOM 579 CA TYR A 43 3.106 2.035 -3.764 1.00 0.00 C ATOM 580 C TYR A 43 4.394 1.209 -3.754 1.00 0.00 C ATOM 581 O TYR A 43 4.822 0.707 -4.792 1.00 0.00 O ATOM 582 CB TYR A 43 1.910 1.094 -3.609 1.00 0.00 C ATOM 583 CG TYR A 43 0.615 1.797 -3.195 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.410 2.143 -1.875 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.347 2.085 -4.141 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.808 2.804 -1.484 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.565 2.746 -3.751 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.736 3.073 -2.442 1.00 0.00 C ATOM 589 OH TYR A 43 -2.886 3.698 -2.074 1.00 0.00 O ATOM 0 H TYR A 43 3.246 2.171 -5.850 1.00 0.00 H new ATOM 0 HA TYR A 43 3.172 2.763 -2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.744 0.575 -4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.152 0.334 -2.866 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.164 1.918 -1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.186 1.815 -5.174 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.981 3.080 -0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.326 2.977 -4.482 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.711 4.277 -1.303 1.00 0.00 H new ATOM 599 N LEU A 44 4.976 1.094 -2.569 1.00 0.00 N ATOM 600 CA LEU A 44 6.206 0.337 -2.410 1.00 0.00 C ATOM 601 C LEU A 44 5.917 -0.939 -1.617 1.00 0.00 C ATOM 602 O LEU A 44 5.641 -0.881 -0.420 1.00 0.00 O ATOM 603 CB LEU A 44 7.297 1.212 -1.790 1.00 0.00 C ATOM 604 CG LEU A 44 8.169 1.996 -2.773 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.225 2.819 -2.034 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.793 1.065 -3.814 1.00 0.00 C ATOM 0 H LEU A 44 4.618 1.512 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 44 6.591 0.028 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.824 1.921 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.946 0.576 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 44 7.532 2.699 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.831 3.366 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.733 3.525 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.865 2.154 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.408 1.647 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.413 0.322 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.003 0.562 -4.372 1.00 0.00 H new ATOM 618 N VAL A 45 5.988 -2.062 -2.317 1.00 0.00 N ATOM 619 CA VAL A 45 5.737 -3.350 -1.694 1.00 0.00 C ATOM 620 C VAL A 45 7.046 -3.900 -1.125 1.00 0.00 C ATOM 621 O VAL A 45 8.062 -3.935 -1.818 1.00 0.00 O ATOM 622 CB VAL A 45 5.076 -4.297 -2.697 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.564 -5.561 -2.003 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.949 -3.593 -3.455 1.00 0.00 C ATOM 0 H VAL A 45 6.216 -2.106 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 45 5.041 -3.243 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 45 5.832 -4.597 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.099 -6.217 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.398 -6.080 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.830 -5.288 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.496 -4.288 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.194 -3.250 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.353 -2.738 -3.996 1.00 0.00 H new ATOM 634 N GLU A 46 6.980 -4.317 0.131 1.00 0.00 N ATOM 635 CA GLU A 46 8.147 -4.864 0.800 1.00 0.00 C ATOM 636 C GLU A 46 7.738 -6.009 1.730 1.00 0.00 C ATOM 637 O GLU A 46 6.687 -5.951 2.366 1.00 0.00 O ATOM 638 CB GLU A 46 8.899 -3.776 1.569 1.00 0.00 C ATOM 639 CG GLU A 46 9.257 -2.604 0.651 1.00 0.00 C ATOM 640 CD GLU A 46 10.526 -1.898 1.133 1.00 0.00 C ATOM 641 OE1 GLU A 46 11.375 -2.599 1.725 1.00 0.00 O ATOM 642 OE2 GLU A 46 10.618 -0.674 0.898 1.00 0.00 O ATOM 0 H GLU A 46 6.136 -4.287 0.703 1.00 0.00 H new ATOM 0 HA GLU A 46 8.823 -5.260 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.285 -3.420 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.808 -4.194 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.402 -2.966 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.430 -1.894 0.622 1.00 0.00 H new ATOM 649 N TYR A 47 8.591 -7.022 1.779 1.00 0.00 N ATOM 650 CA TYR A 47 8.331 -8.178 2.621 1.00 0.00 C ATOM 651 C TYR A 47 9.478 -8.406 3.608 1.00 0.00 C ATOM 652 O TYR A 47 10.636 -8.140 3.291 1.00 0.00 O ATOM 653 CB TYR A 47 8.242 -9.377 1.674 1.00 0.00 C ATOM 654 CG TYR A 47 9.513 -9.620 0.858 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.762 -8.867 -0.271 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.409 -10.593 1.250 1.00 0.00 C ATOM 657 CE1 TYR A 47 10.958 -9.096 -1.040 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.605 -10.822 0.481 1.00 0.00 C ATOM 659 CZ TYR A 47 11.821 -10.062 -0.626 1.00 0.00 C ATOM 660 OH TYR A 47 12.950 -10.279 -1.352 1.00 0.00 O ATOM 0 H TYR A 47 9.462 -7.066 1.250 1.00 0.00 H new ATOM 0 HA TYR A 47 7.419 -8.034 3.201 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.020 -10.271 2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.407 -9.226 0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.060 -8.106 -0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.214 -11.183 2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.165 -8.514 -1.926 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.315 -11.580 0.777 1.00 0.00 H new ATOM 0 HH TYR A 47 13.472 -10.997 -0.938 1.00 0.00 H new ATOM 670 N CYS A 48 9.115 -8.897 4.784 1.00 0.00 N ATOM 671 CA CYS A 48 10.098 -9.164 5.819 1.00 0.00 C ATOM 672 C CYS A 48 9.989 -10.637 6.217 1.00 0.00 C ATOM 673 O CYS A 48 8.989 -11.054 6.799 1.00 0.00 O ATOM 674 CB CYS A 48 9.922 -8.233 7.021 1.00 0.00 C ATOM 675 SG CYS A 48 10.950 -8.815 8.419 1.00 0.00 S ATOM 0 H CYS A 48 8.153 -9.117 5.043 1.00 0.00 H new ATOM 0 HA CYS A 48 11.098 -8.966 5.433 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.206 -7.216 6.749 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.874 -8.203 7.318 1.00 0.00 H new ATOM 0 HG CYS A 48 10.795 -8.017 9.433 1.00 0.00 H new ATOM 681 N LEU A 49 11.032 -11.385 5.887 1.00 0.00 N ATOM 682 CA LEU A 49 11.066 -12.803 6.203 1.00 0.00 C ATOM 683 C LEU A 49 10.935 -12.987 7.716 1.00 0.00 C ATOM 684 O LEU A 49 11.536 -12.243 8.490 1.00 0.00 O ATOM 685 CB LEU A 49 12.317 -13.454 5.610 1.00 0.00 C ATOM 686 CG LEU A 49 12.317 -13.647 4.092 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.664 -13.244 3.489 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.928 -15.079 3.721 1.00 0.00 C ATOM 0 H LEU A 49 11.860 -11.036 5.404 1.00 0.00 H new ATOM 0 HA LEU A 49 10.220 -13.316 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.181 -12.846 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.453 -14.428 6.080 1.00 0.00 H new ATOM 0 HG LEU A 49 11.562 -12.988 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.638 -13.391 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.861 -12.195 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.454 -13.859 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.936 -15.189 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.641 -15.776 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.929 -15.295 4.100 1.00 0.00 H new ATOM 700 N GLU A 50 10.146 -13.983 8.093 1.00 0.00 N ATOM 701 CA GLU A 50 9.929 -14.274 9.500 1.00 0.00 C ATOM 702 C GLU A 50 11.266 -14.494 10.209 1.00 0.00 C ATOM 703 O GLU A 50 11.959 -15.475 9.944 1.00 0.00 O ATOM 704 CB GLU A 50 9.010 -15.485 9.673 1.00 0.00 C ATOM 705 CG GLU A 50 8.866 -15.857 11.151 1.00 0.00 C ATOM 706 CD GLU A 50 7.511 -15.405 11.699 1.00 0.00 C ATOM 707 OE1 GLU A 50 7.234 -14.190 11.599 1.00 0.00 O ATOM 708 OE2 GLU A 50 6.782 -16.285 12.207 1.00 0.00 O ATOM 0 H GLU A 50 9.649 -14.598 7.449 1.00 0.00 H new ATOM 0 HA GLU A 50 9.435 -13.416 9.957 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.029 -15.265 9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.411 -16.333 9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.969 -16.936 11.270 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.668 -15.394 11.726 1.00 0.00 H new ATOM 715 N GLY A 51 11.590 -13.564 11.096 1.00 0.00 N ATOM 716 CA GLY A 51 12.832 -13.645 11.845 1.00 0.00 C ATOM 717 C GLY A 51 13.858 -12.641 11.314 1.00 0.00 C ATOM 718 O GLY A 51 15.046 -12.743 11.619 1.00 0.00 O ATOM 0 H GLY A 51 11.014 -12.751 11.312 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.638 -13.449 12.900 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.237 -14.655 11.777 1.00 0.00 H new ATOM 722 N SER A 52 13.362 -11.695 10.530 1.00 0.00 N ATOM 723 CA SER A 52 14.221 -10.675 9.954 1.00 0.00 C ATOM 724 C SER A 52 13.793 -9.291 10.448 1.00 0.00 C ATOM 725 O SER A 52 12.616 -9.063 10.723 1.00 0.00 O ATOM 726 CB SER A 52 14.189 -10.726 8.425 1.00 0.00 C ATOM 727 OG SER A 52 14.768 -9.563 7.840 1.00 0.00 O ATOM 0 H SER A 52 12.376 -11.614 10.280 1.00 0.00 H new ATOM 0 HA SER A 52 15.244 -10.869 10.275 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.725 -11.610 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.158 -10.827 8.087 1.00 0.00 H new ATOM 0 HG SER A 52 14.100 -9.108 7.286 1.00 0.00 H new ATOM 733 N GLU A 53 14.772 -8.404 10.544 1.00 0.00 N ATOM 734 CA GLU A 53 14.511 -7.049 11.000 1.00 0.00 C ATOM 735 C GLU A 53 14.697 -6.057 9.850 1.00 0.00 C ATOM 736 O GLU A 53 14.714 -4.846 10.066 1.00 0.00 O ATOM 737 CB GLU A 53 15.408 -6.687 12.186 1.00 0.00 C ATOM 738 CG GLU A 53 14.628 -5.904 13.244 1.00 0.00 C ATOM 739 CD GLU A 53 15.534 -4.903 13.964 1.00 0.00 C ATOM 740 OE1 GLU A 53 16.177 -4.104 13.249 1.00 0.00 O ATOM 741 OE2 GLU A 53 15.562 -4.959 15.212 1.00 0.00 O ATOM 0 H GLU A 53 15.747 -8.597 10.314 1.00 0.00 H new ATOM 0 HA GLU A 53 13.476 -6.994 11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.816 -7.596 12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.254 -6.093 11.839 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.799 -5.376 12.773 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.196 -6.595 13.968 1.00 0.00 H new ATOM 748 N GLU A 54 14.832 -6.607 8.652 1.00 0.00 N ATOM 749 CA GLU A 54 15.016 -5.786 7.468 1.00 0.00 C ATOM 750 C GLU A 54 13.959 -6.128 6.415 1.00 0.00 C ATOM 751 O GLU A 54 13.886 -7.264 5.950 1.00 0.00 O ATOM 752 CB GLU A 54 16.427 -5.950 6.900 1.00 0.00 C ATOM 753 CG GLU A 54 16.577 -5.199 5.576 1.00 0.00 C ATOM 754 CD GLU A 54 17.817 -4.303 5.591 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.744 -3.243 6.249 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.811 -4.699 4.944 1.00 0.00 O ATOM 0 H GLU A 54 14.818 -7.612 8.476 1.00 0.00 H new ATOM 0 HA GLU A 54 14.893 -4.741 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 54 17.157 -5.577 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.641 -7.008 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.650 -5.913 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.689 -4.594 5.395 1.00 0.00 H new ATOM 763 N TRP A 55 13.166 -5.124 6.071 1.00 0.00 N ATOM 764 CA TRP A 55 12.117 -5.304 5.083 1.00 0.00 C ATOM 765 C TRP A 55 12.750 -5.189 3.695 1.00 0.00 C ATOM 766 O TRP A 55 13.310 -4.150 3.348 1.00 0.00 O ATOM 767 CB TRP A 55 10.977 -4.307 5.305 1.00 0.00 C ATOM 768 CG TRP A 55 10.058 -4.663 6.474 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.263 -4.448 7.781 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.770 -5.311 6.389 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.207 -4.908 8.541 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.271 -5.449 7.668 1.00 0.00 C ATOM 773 CE3 TRP A 55 8.052 -5.765 5.269 1.00 0.00 C ATOM 774 CZ2 TRP A 55 7.033 -6.040 7.948 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.817 -6.354 5.565 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.300 -6.500 6.847 1.00 0.00 C ATOM 0 H TRP A 55 13.229 -4.183 6.459 1.00 0.00 H new ATOM 0 HA TRP A 55 11.663 -6.290 5.178 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.402 -3.318 5.478 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.381 -4.243 4.394 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.144 -3.974 8.188 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.128 -4.860 9.557 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.424 -5.667 4.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.663 -6.136 8.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.225 -6.721 4.740 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.337 -6.966 6.993 1.00 0.00 H new ATOM 787 N VAL A 56 12.639 -6.270 2.937 1.00 0.00 N ATOM 788 CA VAL A 56 13.194 -6.303 1.595 1.00 0.00 C ATOM 789 C VAL A 56 12.172 -5.730 0.611 1.00 0.00 C ATOM 790 O VAL A 56 10.973 -5.973 0.744 1.00 0.00 O ATOM 791 CB VAL A 56 13.629 -7.728 1.243 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.253 -7.782 -0.153 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.591 -8.282 2.296 1.00 0.00 C ATOM 0 H VAL A 56 12.173 -7.130 3.227 1.00 0.00 H new ATOM 0 HA VAL A 56 14.087 -5.681 1.536 1.00 0.00 H new ATOM 0 HB VAL A 56 12.740 -8.358 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.553 -8.805 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.524 -7.447 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.127 -7.132 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.885 -9.295 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.477 -7.649 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.097 -8.297 3.268 1.00 0.00 H new ATOM 803 N PRO A 57 12.697 -4.961 -0.380 1.00 0.00 N ATOM 804 CA PRO A 57 11.843 -4.352 -1.386 1.00 0.00 C ATOM 805 C PRO A 57 11.362 -5.392 -2.400 1.00 0.00 C ATOM 806 O PRO A 57 12.171 -6.086 -3.015 1.00 0.00 O ATOM 807 CB PRO A 57 12.693 -3.260 -2.014 1.00 0.00 C ATOM 808 CG PRO A 57 14.133 -3.599 -1.665 1.00 0.00 C ATOM 809 CD PRO A 57 14.111 -4.653 -0.569 1.00 0.00 C ATOM 0 HA PRO A 57 10.929 -3.934 -0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.550 -3.227 -3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.418 -2.279 -1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.661 -3.972 -2.543 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.664 -2.709 -1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.674 -5.540 -0.861 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.561 -4.278 0.350 1.00 0.00 H new ATOM 817 N ALA A 58 10.047 -5.468 -2.544 1.00 0.00 N ATOM 818 CA ALA A 58 9.449 -6.411 -3.473 1.00 0.00 C ATOM 819 C ALA A 58 9.489 -5.825 -4.885 1.00 0.00 C ATOM 820 O ALA A 58 9.824 -6.522 -5.842 1.00 0.00 O ATOM 821 CB ALA A 58 8.026 -6.742 -3.019 1.00 0.00 C ATOM 0 H ALA A 58 9.379 -4.891 -2.032 1.00 0.00 H new ATOM 0 HA ALA A 58 10.012 -7.344 -3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.577 -7.450 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.055 -7.183 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.430 -5.829 -2.994 1.00 0.00 H new ATOM 827 N ASN A 59 9.143 -4.549 -4.972 1.00 0.00 N ATOM 828 CA ASN A 59 9.135 -3.861 -6.251 1.00 0.00 C ATOM 829 C ASN A 59 10.085 -2.663 -6.188 1.00 0.00 C ATOM 830 O ASN A 59 9.882 -1.747 -5.392 1.00 0.00 O ATOM 831 CB ASN A 59 7.737 -3.337 -6.587 1.00 0.00 C ATOM 832 CG ASN A 59 7.203 -2.444 -5.466 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.490 -2.633 -4.295 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.411 -1.462 -5.888 1.00 0.00 N ATOM 0 H ASN A 59 8.866 -3.974 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 59 9.448 -4.571 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.770 -2.775 -7.520 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.058 -4.175 -6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.004 -0.811 -5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.211 -1.360 -6.883 1.00 0.00 H new ATOM 841 N LYS A 60 11.102 -2.710 -7.036 1.00 0.00 N ATOM 842 CA LYS A 60 12.084 -1.640 -7.085 1.00 0.00 C ATOM 843 C LYS A 60 11.364 -0.299 -7.237 1.00 0.00 C ATOM 844 O LYS A 60 11.656 0.652 -6.513 1.00 0.00 O ATOM 845 CB LYS A 60 13.116 -1.911 -8.182 1.00 0.00 C ATOM 846 CG LYS A 60 14.227 -2.833 -7.674 1.00 0.00 C ATOM 847 CD LYS A 60 14.566 -3.906 -8.712 1.00 0.00 C ATOM 848 CE LYS A 60 15.551 -3.370 -9.752 1.00 0.00 C ATOM 849 NZ LYS A 60 16.509 -4.426 -10.151 1.00 0.00 N ATOM 0 H LYS A 60 11.267 -3.472 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 60 12.647 -1.596 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.626 -2.366 -9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.547 -0.969 -8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.117 -2.246 -7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.914 -3.307 -6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.994 -4.776 -8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.654 -4.239 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.007 -3.014 -10.627 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.091 -2.516 -9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.171 -4.046 -10.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.040 -4.746 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.990 -5.229 -10.560 1.00 0.00 H new ATOM 863 N GLU A 61 10.437 -0.265 -8.183 1.00 0.00 N ATOM 864 CA GLU A 61 9.672 0.944 -8.438 1.00 0.00 C ATOM 865 C GLU A 61 8.230 0.771 -7.960 1.00 0.00 C ATOM 866 O GLU A 61 7.746 -0.352 -7.828 1.00 0.00 O ATOM 867 CB GLU A 61 9.717 1.318 -9.921 1.00 0.00 C ATOM 868 CG GLU A 61 11.160 1.478 -10.403 1.00 0.00 C ATOM 869 CD GLU A 61 11.787 2.757 -9.843 1.00 0.00 C ATOM 870 OE1 GLU A 61 11.504 3.828 -10.422 1.00 0.00 O ATOM 871 OE2 GLU A 61 12.534 2.634 -8.849 1.00 0.00 O ATOM 0 H GLU A 61 10.198 -1.055 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 61 10.124 1.762 -7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.217 0.549 -10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.171 2.248 -10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.748 0.614 -10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.182 1.505 -11.492 1.00 0.00 H new ATOM 878 N PRO A 62 7.565 1.931 -7.706 1.00 0.00 N ATOM 879 CA PRO A 62 6.188 1.918 -7.245 1.00 0.00 C ATOM 880 C PRO A 62 5.230 1.579 -8.389 1.00 0.00 C ATOM 881 O PRO A 62 5.290 2.189 -9.455 1.00 0.00 O ATOM 882 CB PRO A 62 5.954 3.304 -6.665 1.00 0.00 C ATOM 883 CG PRO A 62 7.051 4.186 -7.239 1.00 0.00 C ATOM 884 CD PRO A 62 8.106 3.279 -7.851 1.00 0.00 C ATOM 0 HA PRO A 62 6.003 1.150 -6.494 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.968 3.680 -6.937 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.998 3.284 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.644 4.860 -7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.489 4.808 -6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.280 3.525 -8.898 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.062 3.380 -7.336 1.00 0.00 H new ATOM 892 N VAL A 63 4.368 0.607 -8.128 1.00 0.00 N ATOM 893 CA VAL A 63 3.398 0.180 -9.122 1.00 0.00 C ATOM 894 C VAL A 63 2.297 1.236 -9.241 1.00 0.00 C ATOM 895 O VAL A 63 2.204 2.137 -8.409 1.00 0.00 O ATOM 896 CB VAL A 63 2.861 -1.208 -8.767 1.00 0.00 C ATOM 897 CG1 VAL A 63 4.003 -2.211 -8.595 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.987 -1.152 -7.512 1.00 0.00 C ATOM 0 H VAL A 63 4.321 0.103 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 63 3.869 0.090 -10.101 1.00 0.00 H new ATOM 0 HB VAL A 63 2.239 -1.548 -9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.593 -3.189 -8.343 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.568 -2.283 -9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.663 -1.877 -7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.618 -2.151 -7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.577 -0.780 -6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.143 -0.484 -7.686 1.00 0.00 H new ATOM 908 N GLU A 64 1.489 1.088 -10.281 1.00 0.00 N ATOM 909 CA GLU A 64 0.398 2.017 -10.519 1.00 0.00 C ATOM 910 C GLU A 64 -0.943 1.357 -10.190 1.00 0.00 C ATOM 911 O GLU A 64 -1.865 2.019 -9.718 1.00 0.00 O ATOM 912 CB GLU A 64 0.418 2.529 -11.960 1.00 0.00 C ATOM 913 CG GLU A 64 0.004 1.429 -12.939 1.00 0.00 C ATOM 914 CD GLU A 64 0.639 1.650 -14.314 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.880 1.527 -14.391 1.00 0.00 O ATOM 916 OE2 GLU A 64 -0.132 1.936 -15.255 1.00 0.00 O ATOM 0 H GLU A 64 1.568 0.338 -10.968 1.00 0.00 H new ATOM 0 HA GLU A 64 0.529 2.876 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.257 3.380 -12.057 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.418 2.885 -12.209 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.305 0.457 -12.548 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.082 1.412 -13.034 1.00 0.00 H new ATOM 923 N ARG A 65 -1.007 0.060 -10.454 1.00 0.00 N ATOM 924 CA ARG A 65 -2.219 -0.697 -10.192 1.00 0.00 C ATOM 925 C ARG A 65 -2.463 -0.805 -8.685 1.00 0.00 C ATOM 926 O ARG A 65 -1.634 -0.373 -7.886 1.00 0.00 O ATOM 927 CB ARG A 65 -2.130 -2.103 -10.788 1.00 0.00 C ATOM 928 CG ARG A 65 -2.808 -2.161 -12.159 1.00 0.00 C ATOM 929 CD ARG A 65 -4.217 -2.749 -12.049 1.00 0.00 C ATOM 930 NE ARG A 65 -5.172 -1.697 -11.633 1.00 0.00 N ATOM 931 CZ ARG A 65 -5.660 -0.758 -12.455 1.00 0.00 C ATOM 932 NH1 ARG A 65 -5.286 -0.733 -13.741 1.00 0.00 N ATOM 933 NH2 ARG A 65 -6.523 0.156 -11.991 1.00 0.00 N ATOM 0 H ARG A 65 -0.240 -0.485 -10.846 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.048 -0.167 -10.661 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.084 -2.396 -10.883 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.602 -2.818 -10.114 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.860 -1.159 -12.586 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.209 -2.766 -12.840 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.521 -3.169 -13.008 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.224 -3.565 -11.326 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.478 -1.686 -10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.630 -1.429 -14.095 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.658 -0.018 -14.366 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.809 0.137 -11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.894 0.871 -12.617 1.00 0.00 H new ATOM 947 N CYS A 66 -3.605 -1.382 -8.343 1.00 0.00 N ATOM 948 CA CYS A 66 -3.969 -1.552 -6.946 1.00 0.00 C ATOM 949 C CYS A 66 -3.575 -2.966 -6.515 1.00 0.00 C ATOM 950 O CYS A 66 -4.340 -3.647 -5.834 1.00 0.00 O ATOM 951 CB CYS A 66 -5.456 -1.277 -6.711 1.00 0.00 C ATOM 952 SG CYS A 66 -6.470 -2.416 -7.723 1.00 0.00 S ATOM 0 H CYS A 66 -4.291 -1.738 -9.009 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.432 -0.825 -6.337 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.695 -1.404 -5.655 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.688 -0.244 -6.968 1.00 0.00 H new ATOM 0 HG CYS A 66 -7.731 -2.176 -7.515 1.00 0.00 H new ATOM 958 N GLY A 67 -2.381 -3.365 -6.929 1.00 0.00 N ATOM 959 CA GLY A 67 -1.876 -4.685 -6.595 1.00 0.00 C ATOM 960 C GLY A 67 -0.508 -4.928 -7.236 1.00 0.00 C ATOM 961 O GLY A 67 -0.059 -4.139 -8.066 1.00 0.00 O ATOM 0 H GLY A 67 -1.749 -2.797 -7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.797 -4.785 -5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.581 -5.444 -6.934 1.00 0.00 H new ATOM 965 N PHE A 68 0.116 -6.023 -6.828 1.00 0.00 N ATOM 966 CA PHE A 68 1.423 -6.379 -7.352 1.00 0.00 C ATOM 967 C PHE A 68 1.707 -7.869 -7.150 1.00 0.00 C ATOM 968 O PHE A 68 0.941 -8.567 -6.488 1.00 0.00 O ATOM 969 CB PHE A 68 2.456 -5.565 -6.571 1.00 0.00 C ATOM 970 CG PHE A 68 3.897 -5.772 -7.041 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.312 -5.234 -8.219 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.763 -6.495 -6.281 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.649 -5.426 -8.656 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.100 -6.687 -6.718 1.00 0.00 C ATOM 975 CZ PHE A 68 6.515 -6.149 -7.896 1.00 0.00 C ATOM 0 H PHE A 68 -0.260 -6.676 -6.140 1.00 0.00 H new ATOM 0 HA PHE A 68 1.464 -6.170 -8.421 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.207 -4.507 -6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.388 -5.828 -5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.624 -4.660 -8.822 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.434 -6.923 -5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.978 -4.998 -9.591 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.788 -7.261 -6.115 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.532 -6.296 -8.228 1.00 0.00 H new ATOM 985 N THR A 69 2.811 -8.313 -7.733 1.00 0.00 N ATOM 986 CA THR A 69 3.206 -9.707 -7.625 1.00 0.00 C ATOM 987 C THR A 69 4.679 -9.814 -7.224 1.00 0.00 C ATOM 988 O THR A 69 5.559 -9.359 -7.952 1.00 0.00 O ATOM 989 CB THR A 69 2.887 -10.393 -8.955 1.00 0.00 C ATOM 990 OG1 THR A 69 1.482 -10.620 -8.901 1.00 0.00 O ATOM 991 CG2 THR A 69 3.488 -11.797 -9.049 1.00 0.00 C ATOM 0 H THR A 69 3.444 -7.732 -8.282 1.00 0.00 H new ATOM 0 HA THR A 69 2.649 -10.216 -6.838 1.00 0.00 H new ATOM 0 HB THR A 69 3.261 -9.782 -9.777 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.190 -11.061 -9.726 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.232 -12.239 -10.012 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.572 -11.736 -8.955 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.089 -12.418 -8.247 1.00 0.00 H new ATOM 999 N VAL A 70 4.901 -10.420 -6.066 1.00 0.00 N ATOM 1000 CA VAL A 70 6.251 -10.593 -5.559 1.00 0.00 C ATOM 1001 C VAL A 70 6.845 -11.881 -6.132 1.00 0.00 C ATOM 1002 O VAL A 70 6.115 -12.823 -6.437 1.00 0.00 O ATOM 1003 CB VAL A 70 6.243 -10.567 -4.030 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.664 -10.447 -3.476 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.353 -9.438 -3.505 1.00 0.00 C ATOM 0 H VAL A 70 4.168 -10.797 -5.465 1.00 0.00 H new ATOM 0 HA VAL A 70 6.888 -9.770 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 70 5.826 -11.512 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.630 -10.431 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.257 -11.299 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.119 -9.525 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.365 -9.442 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.727 -8.481 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.332 -9.586 -3.857 1.00 0.00 H new ATOM 1015 N LYS A 71 8.164 -11.881 -6.261 1.00 0.00 N ATOM 1016 CA LYS A 71 8.864 -13.038 -6.792 1.00 0.00 C ATOM 1017 C LYS A 71 10.028 -13.394 -5.866 1.00 0.00 C ATOM 1018 O LYS A 71 10.358 -12.633 -4.958 1.00 0.00 O ATOM 1019 CB LYS A 71 9.285 -12.791 -8.242 1.00 0.00 C ATOM 1020 CG LYS A 71 10.185 -11.558 -8.349 1.00 0.00 C ATOM 1021 CD LYS A 71 9.973 -10.838 -9.682 1.00 0.00 C ATOM 1022 CE LYS A 71 8.686 -10.012 -9.661 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.920 -8.672 -10.244 1.00 0.00 N ATOM 0 H LYS A 71 8.766 -11.098 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 71 8.202 -13.904 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.812 -13.665 -8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.400 -12.655 -8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.973 -10.876 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.229 -11.856 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.823 -10.188 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.928 -11.568 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.907 -10.528 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.328 -9.912 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.036 -8.125 -10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.649 -8.176 -9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.240 -8.773 -11.228 1.00 0.00 H new ATOM 1037 N ASP A 72 10.618 -14.551 -6.127 1.00 0.00 N ATOM 1038 CA ASP A 72 11.739 -15.017 -5.327 1.00 0.00 C ATOM 1039 C ASP A 72 11.314 -15.097 -3.860 1.00 0.00 C ATOM 1040 O ASP A 72 11.449 -14.126 -3.117 1.00 0.00 O ATOM 1041 CB ASP A 72 12.923 -14.053 -5.425 1.00 0.00 C ATOM 1042 CG ASP A 72 14.232 -14.684 -5.906 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.164 -15.836 -6.384 1.00 0.00 O ATOM 1044 OD2 ASP A 72 15.270 -13.999 -5.784 1.00 0.00 O ATOM 0 H ASP A 72 10.341 -15.180 -6.881 1.00 0.00 H new ATOM 0 HA ASP A 72 12.039 -15.995 -5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.657 -13.242 -6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.091 -13.606 -4.445 1.00 0.00 H new ATOM 1049 N LEU A 73 10.809 -16.264 -3.486 1.00 0.00 N ATOM 1050 CA LEU A 73 10.364 -16.483 -2.120 1.00 0.00 C ATOM 1051 C LEU A 73 10.550 -17.958 -1.759 1.00 0.00 C ATOM 1052 O LEU A 73 10.372 -18.835 -2.602 1.00 0.00 O ATOM 1053 CB LEU A 73 8.930 -15.982 -1.937 1.00 0.00 C ATOM 1054 CG LEU A 73 8.643 -14.569 -2.450 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.137 -14.311 -2.530 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.360 -13.520 -1.598 1.00 0.00 C ATOM 0 H LEU A 73 10.698 -17.067 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 73 10.971 -15.904 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.257 -16.674 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.686 -16.018 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 73 9.038 -14.486 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.960 -13.300 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.680 -15.030 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.696 -14.419 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.139 -12.525 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.017 -13.593 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.435 -13.694 -1.636 1.00 0.00 H new ATOM 1068 N PRO A 74 10.917 -18.192 -0.470 1.00 0.00 N ATOM 1069 CA PRO A 74 11.130 -19.546 0.014 1.00 0.00 C ATOM 1070 C PRO A 74 9.798 -20.268 0.225 1.00 0.00 C ATOM 1071 O PRO A 74 8.973 -19.835 1.028 1.00 0.00 O ATOM 1072 CB PRO A 74 11.928 -19.384 1.297 1.00 0.00 C ATOM 1073 CG PRO A 74 11.733 -17.939 1.730 1.00 0.00 C ATOM 1074 CD PRO A 74 11.138 -17.178 0.557 1.00 0.00 C ATOM 0 HA PRO A 74 11.671 -20.168 -0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.576 -20.073 2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.983 -19.603 1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.072 -17.885 2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.684 -17.498 2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.206 -16.687 0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.815 -16.400 0.206 1.00 0.00 H new ATOM 1082 N THR A 75 9.629 -21.357 -0.510 1.00 0.00 N ATOM 1083 CA THR A 75 8.411 -22.144 -0.413 1.00 0.00 C ATOM 1084 C THR A 75 8.230 -22.673 1.011 1.00 0.00 C ATOM 1085 O THR A 75 9.029 -23.480 1.484 1.00 0.00 O ATOM 1086 CB THR A 75 8.477 -23.250 -1.468 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.491 -22.547 -2.708 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.195 -24.082 -1.526 1.00 0.00 C ATOM 0 H THR A 75 10.315 -21.713 -1.175 1.00 0.00 H new ATOM 0 HA THR A 75 7.530 -21.535 -0.615 1.00 0.00 H new ATOM 0 HB THR A 75 9.324 -23.903 -1.256 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.759 -21.895 -2.723 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.295 -24.852 -2.291 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.022 -24.552 -0.558 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.352 -23.435 -1.771 1.00 0.00 H new ATOM 1096 N GLY A 76 7.175 -22.197 1.655 1.00 0.00 N ATOM 1097 CA GLY A 76 6.878 -22.613 3.016 1.00 0.00 C ATOM 1098 C GLY A 76 7.610 -21.731 4.030 1.00 0.00 C ATOM 1099 O GLY A 76 8.280 -22.237 4.929 1.00 0.00 O ATOM 0 H GLY A 76 6.515 -21.527 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.803 -22.559 3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.172 -23.654 3.155 1.00 0.00 H new ATOM 1103 N ALA A 77 7.457 -20.427 3.851 1.00 0.00 N ATOM 1104 CA ALA A 77 8.095 -19.470 4.739 1.00 0.00 C ATOM 1105 C ALA A 77 7.110 -18.345 5.061 1.00 0.00 C ATOM 1106 O ALA A 77 6.492 -17.778 4.161 1.00 0.00 O ATOM 1107 CB ALA A 77 9.381 -18.951 4.092 1.00 0.00 C ATOM 0 H ALA A 77 6.901 -20.011 3.104 1.00 0.00 H new ATOM 0 HA ALA A 77 8.372 -19.945 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.859 -18.233 4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.059 -19.785 3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.142 -18.465 3.146 1.00 0.00 H new ATOM 1113 N ARG A 78 6.993 -18.054 6.349 1.00 0.00 N ATOM 1114 CA ARG A 78 6.094 -17.007 6.801 1.00 0.00 C ATOM 1115 C ARG A 78 6.652 -15.631 6.431 1.00 0.00 C ATOM 1116 O ARG A 78 7.507 -15.094 7.134 1.00 0.00 O ATOM 1117 CB ARG A 78 5.886 -17.075 8.316 1.00 0.00 C ATOM 1118 CG ARG A 78 4.505 -17.637 8.655 1.00 0.00 C ATOM 1119 CD ARG A 78 4.615 -19.048 9.237 1.00 0.00 C ATOM 1120 NE ARG A 78 5.292 -19.001 10.552 1.00 0.00 N ATOM 1121 CZ ARG A 78 5.452 -20.064 11.353 1.00 0.00 C ATOM 1122 NH1 ARG A 78 4.983 -21.262 10.977 1.00 0.00 N ATOM 1123 NH2 ARG A 78 6.079 -19.929 12.529 1.00 0.00 N ATOM 0 H ARG A 78 7.506 -18.526 7.093 1.00 0.00 H new ATOM 0 HA ARG A 78 5.134 -17.158 6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.657 -17.701 8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.993 -16.079 8.746 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.008 -16.982 9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.886 -17.657 7.758 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.622 -19.484 9.345 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.172 -19.690 8.554 1.00 0.00 H new ATOM 0 HE ARG A 78 5.660 -18.104 10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.505 -21.364 10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.104 -22.071 11.586 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.435 -19.017 12.815 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.200 -20.738 13.138 1.00 0.00 H new ATOM 1137 N ILE A 79 6.146 -15.099 5.328 1.00 0.00 N ATOM 1138 CA ILE A 79 6.583 -13.796 4.856 1.00 0.00 C ATOM 1139 C ILE A 79 5.425 -12.803 4.970 1.00 0.00 C ATOM 1140 O ILE A 79 4.318 -13.079 4.512 1.00 0.00 O ATOM 1141 CB ILE A 79 7.164 -13.905 3.445 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.326 -14.900 3.406 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.569 -12.530 2.912 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.867 -15.055 1.983 1.00 0.00 C ATOM 0 H ILE A 79 5.437 -15.547 4.747 1.00 0.00 H new ATOM 0 HA ILE A 79 7.392 -13.416 5.480 1.00 0.00 H new ATOM 0 HB ILE A 79 6.388 -14.291 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.123 -14.560 4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.993 -15.868 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.979 -12.635 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.695 -11.880 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.323 -12.093 3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.692 -15.767 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.074 -15.418 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.221 -14.090 1.621 1.00 0.00 H new ATOM 1156 N LEU A 80 5.721 -11.666 5.583 1.00 0.00 N ATOM 1157 CA LEU A 80 4.719 -10.630 5.763 1.00 0.00 C ATOM 1158 C LEU A 80 4.880 -9.575 4.666 1.00 0.00 C ATOM 1159 O LEU A 80 5.970 -9.041 4.469 1.00 0.00 O ATOM 1160 CB LEU A 80 4.786 -10.058 7.180 1.00 0.00 C ATOM 1161 CG LEU A 80 4.102 -10.886 8.270 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.479 -10.376 9.663 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.587 -10.920 8.063 1.00 0.00 C ATOM 0 H LEU A 80 6.641 -11.440 5.961 1.00 0.00 H new ATOM 0 HA LEU A 80 3.718 -11.048 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.834 -9.932 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.338 -9.064 7.171 1.00 0.00 H new ATOM 0 HG LEU A 80 4.460 -11.913 8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.980 -10.981 10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.559 -10.446 9.796 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.168 -9.337 9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.125 -11.515 8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.192 -9.905 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.362 -11.365 7.094 1.00 0.00 H new ATOM 1175 N PHE A 81 3.778 -9.305 3.982 1.00 0.00 N ATOM 1176 CA PHE A 81 3.783 -8.324 2.911 1.00 0.00 C ATOM 1177 C PHE A 81 3.133 -7.015 3.363 1.00 0.00 C ATOM 1178 O PHE A 81 2.030 -7.021 3.907 1.00 0.00 O ATOM 1179 CB PHE A 81 2.966 -8.914 1.759 1.00 0.00 C ATOM 1180 CG PHE A 81 3.554 -10.199 1.174 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.824 -10.207 0.688 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.806 -11.335 1.141 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.369 -11.400 0.145 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.352 -12.528 0.598 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.622 -12.536 0.111 1.00 0.00 C ATOM 0 H PHE A 81 2.875 -9.749 4.149 1.00 0.00 H new ATOM 0 HA PHE A 81 4.808 -8.105 2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.955 -9.117 2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.885 -8.170 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.418 -9.306 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.798 -11.329 1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.378 -11.406 -0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.758 -13.430 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.037 -13.444 -0.302 1.00 0.00 H new ATOM 1195 N ARG A 82 3.844 -5.923 3.122 1.00 0.00 N ATOM 1196 CA ARG A 82 3.351 -4.610 3.497 1.00 0.00 C ATOM 1197 C ARG A 82 3.409 -3.658 2.301 1.00 0.00 C ATOM 1198 O ARG A 82 4.404 -3.624 1.578 1.00 0.00 O ATOM 1199 CB ARG A 82 4.170 -4.022 4.648 1.00 0.00 C ATOM 1200 CG ARG A 82 5.517 -3.495 4.149 1.00 0.00 C ATOM 1201 CD ARG A 82 6.327 -2.887 5.296 1.00 0.00 C ATOM 1202 NE ARG A 82 7.726 -2.666 4.865 1.00 0.00 N ATOM 1203 CZ ARG A 82 8.132 -1.612 4.144 1.00 0.00 C ATOM 1204 NH1 ARG A 82 7.249 -0.677 3.769 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.421 -1.493 3.799 1.00 0.00 N ATOM 0 H ARG A 82 4.759 -5.922 2.671 1.00 0.00 H new ATOM 0 HA ARG A 82 2.317 -4.726 3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.612 -3.214 5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.333 -4.785 5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.082 -4.307 3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.354 -2.744 3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.880 -1.943 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.304 -3.551 6.160 1.00 0.00 H new ATOM 0 HE ARG A 82 8.424 -3.359 5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.268 -0.767 4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.558 0.125 3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.093 -2.205 4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.730 -0.691 3.250 1.00 0.00 H new ATOM 1219 N VAL A 83 2.330 -2.909 2.128 1.00 0.00 N ATOM 1220 CA VAL A 83 2.247 -1.959 1.031 1.00 0.00 C ATOM 1221 C VAL A 83 2.232 -0.537 1.594 1.00 0.00 C ATOM 1222 O VAL A 83 1.496 -0.245 2.534 1.00 0.00 O ATOM 1223 CB VAL A 83 1.027 -2.271 0.162 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.522 -1.011 -0.546 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.340 -3.378 -0.846 1.00 0.00 C ATOM 0 H VAL A 83 1.506 -2.940 2.729 1.00 0.00 H new ATOM 0 HA VAL A 83 3.121 -2.043 0.385 1.00 0.00 H new ATOM 0 HB VAL A 83 0.232 -2.629 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.346 -1.260 -1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.240 -0.264 0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.311 -0.610 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.456 -3.580 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.157 -3.060 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.630 -4.284 -0.313 1.00 0.00 H new ATOM 1235 N VAL A 84 3.055 0.311 0.994 1.00 0.00 N ATOM 1236 CA VAL A 84 3.146 1.696 1.423 1.00 0.00 C ATOM 1237 C VAL A 84 3.042 2.612 0.202 1.00 0.00 C ATOM 1238 O VAL A 84 3.773 2.439 -0.772 1.00 0.00 O ATOM 1239 CB VAL A 84 4.432 1.912 2.224 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.256 1.457 3.675 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.615 1.200 1.565 1.00 0.00 C ATOM 0 H VAL A 84 3.665 0.065 0.214 1.00 0.00 H new ATOM 0 HA VAL A 84 2.319 1.945 2.087 1.00 0.00 H new ATOM 0 HB VAL A 84 4.647 2.981 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.184 1.621 4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.454 2.029 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.005 0.396 3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.516 1.370 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.412 0.130 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.761 1.592 0.558 1.00 0.00 H new ATOM 1251 N GLY A 85 2.129 3.567 0.294 1.00 0.00 N ATOM 1252 CA GLY A 85 1.920 4.510 -0.791 1.00 0.00 C ATOM 1253 C GLY A 85 3.039 5.553 -0.834 1.00 0.00 C ATOM 1254 O GLY A 85 3.298 6.232 0.158 1.00 0.00 O ATOM 0 H GLY A 85 1.525 3.708 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.880 3.975 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.959 5.008 -0.665 1.00 0.00 H new ATOM 1258 N VAL A 86 3.672 5.646 -1.994 1.00 0.00 N ATOM 1259 CA VAL A 86 4.757 6.594 -2.180 1.00 0.00 C ATOM 1260 C VAL A 86 4.225 7.840 -2.891 1.00 0.00 C ATOM 1261 O VAL A 86 3.204 7.780 -3.575 1.00 0.00 O ATOM 1262 CB VAL A 86 5.912 5.927 -2.930 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.711 5.010 -2.001 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.403 5.161 -4.152 1.00 0.00 C ATOM 0 H VAL A 86 3.454 5.080 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 86 5.153 6.914 -1.216 1.00 0.00 H new ATOM 0 HB VAL A 86 6.581 6.712 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.526 4.548 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.120 5.594 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.056 4.233 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.244 4.697 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.703 4.389 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.899 5.850 -4.829 1.00 0.00 H new ATOM 1274 N ASN A 87 4.940 8.940 -2.704 1.00 0.00 N ATOM 1275 CA ASN A 87 4.552 10.198 -3.319 1.00 0.00 C ATOM 1276 C ASN A 87 5.504 11.302 -2.856 1.00 0.00 C ATOM 1277 O ASN A 87 6.392 11.059 -2.040 1.00 0.00 O ATOM 1278 CB ASN A 87 3.132 10.596 -2.910 1.00 0.00 C ATOM 1279 CG ASN A 87 3.053 10.879 -1.409 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.857 10.412 -0.619 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.041 11.669 -1.060 1.00 0.00 N ATOM 0 H ASN A 87 5.786 8.986 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 87 4.594 10.072 -4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.824 11.481 -3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.437 9.797 -3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.902 11.918 -0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.404 12.026 -1.772 1.00 0.00 H new ATOM 1288 N ILE A 88 5.287 12.492 -3.397 1.00 0.00 N ATOM 1289 CA ILE A 88 6.115 13.634 -3.049 1.00 0.00 C ATOM 1290 C ILE A 88 6.278 13.697 -1.529 1.00 0.00 C ATOM 1291 O ILE A 88 7.383 13.893 -1.027 1.00 0.00 O ATOM 1292 CB ILE A 88 5.544 14.916 -3.660 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.524 16.081 -3.505 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.171 15.240 -3.069 1.00 0.00 C ATOM 1295 CD1 ILE A 88 6.604 16.904 -4.793 1.00 0.00 C ATOM 0 H ILE A 88 4.550 12.690 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 88 7.113 13.523 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 88 5.404 14.753 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.208 16.720 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.513 15.698 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.788 16.155 -3.520 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.484 14.419 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.262 15.377 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.307 17.726 -4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.943 16.268 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.619 17.305 -5.030 1.00 0.00 H new ATOM 1307 N ALA A 89 5.160 13.526 -0.839 1.00 0.00 N ATOM 1308 CA ALA A 89 5.164 13.561 0.614 1.00 0.00 C ATOM 1309 C ALA A 89 6.216 12.582 1.140 1.00 0.00 C ATOM 1310 O ALA A 89 6.977 12.912 2.048 1.00 0.00 O ATOM 1311 CB ALA A 89 3.761 13.246 1.137 1.00 0.00 C ATOM 0 H ALA A 89 4.245 13.363 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 89 5.430 14.555 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.764 13.272 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.057 13.987 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.461 12.254 0.799 1.00 0.00 H new ATOM 1317 N GLY A 90 6.225 11.398 0.546 1.00 0.00 N ATOM 1318 CA GLY A 90 7.171 10.369 0.943 1.00 0.00 C ATOM 1319 C GLY A 90 6.505 8.991 0.964 1.00 0.00 C ATOM 1320 O GLY A 90 6.249 8.406 -0.088 1.00 0.00 O ATOM 0 H GLY A 90 5.592 11.128 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.014 10.359 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.571 10.599 1.931 1.00 0.00 H new ATOM 1324 N ARG A 91 6.244 8.513 2.171 1.00 0.00 N ATOM 1325 CA ARG A 91 5.614 7.215 2.343 1.00 0.00 C ATOM 1326 C ARG A 91 4.491 7.303 3.378 1.00 0.00 C ATOM 1327 O ARG A 91 4.412 8.271 4.133 1.00 0.00 O ATOM 1328 CB ARG A 91 6.630 6.164 2.791 1.00 0.00 C ATOM 1329 CG ARG A 91 7.548 6.719 3.882 1.00 0.00 C ATOM 1330 CD ARG A 91 8.764 5.813 4.089 1.00 0.00 C ATOM 1331 NE ARG A 91 9.587 6.319 5.210 1.00 0.00 N ATOM 1332 CZ ARG A 91 9.223 6.254 6.498 1.00 0.00 C ATOM 1333 NH1 ARG A 91 8.048 5.705 6.835 1.00 0.00 N ATOM 1334 NH2 ARG A 91 10.034 6.739 7.448 1.00 0.00 N ATOM 0 H ARG A 91 6.457 9.002 3.041 1.00 0.00 H new ATOM 0 HA ARG A 91 5.202 6.917 1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.107 5.283 3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.227 5.843 1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.879 7.721 3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.994 6.810 4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.437 4.794 4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.360 5.776 3.177 1.00 0.00 H new ATOM 0 HE ARG A 91 10.488 6.744 4.988 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.431 5.337 6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.771 5.655 7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.928 7.157 7.191 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.757 6.690 8.429 1.00 0.00 H new ATOM 1348 N SER A 92 3.649 6.280 3.380 1.00 0.00 N ATOM 1349 CA SER A 92 2.534 6.229 4.310 1.00 0.00 C ATOM 1350 C SER A 92 2.610 4.952 5.148 1.00 0.00 C ATOM 1351 O SER A 92 3.451 4.090 4.898 1.00 0.00 O ATOM 1352 CB SER A 92 1.196 6.301 3.571 1.00 0.00 C ATOM 1353 OG SER A 92 0.853 5.056 2.966 1.00 0.00 O ATOM 0 H SER A 92 3.717 5.479 2.752 1.00 0.00 H new ATOM 0 HA SER A 92 2.600 7.094 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.411 6.593 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.246 7.075 2.805 1.00 0.00 H new ATOM 0 HG SER A 92 0.316 5.220 2.163 1.00 0.00 H new ATOM 1359 N GLU A 93 1.719 4.870 6.126 1.00 0.00 N ATOM 1360 CA GLU A 93 1.675 3.713 7.003 1.00 0.00 C ATOM 1361 C GLU A 93 1.584 2.426 6.180 1.00 0.00 C ATOM 1362 O GLU A 93 0.810 2.348 5.227 1.00 0.00 O ATOM 1363 CB GLU A 93 0.509 3.816 7.989 1.00 0.00 C ATOM 1364 CG GLU A 93 0.832 4.797 9.118 1.00 0.00 C ATOM 1365 CD GLU A 93 -0.369 4.975 10.049 1.00 0.00 C ATOM 1366 OE1 GLU A 93 -1.498 5.034 9.514 1.00 0.00 O ATOM 1367 OE2 GLU A 93 -0.132 5.049 11.274 1.00 0.00 O ATOM 0 H GLU A 93 1.022 5.586 6.330 1.00 0.00 H new ATOM 0 HA GLU A 93 2.597 3.686 7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.388 4.143 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.293 2.833 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.687 4.433 9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.116 5.761 8.697 1.00 0.00 H new ATOM 1374 N PRO A 94 2.407 1.423 6.588 1.00 0.00 N ATOM 1375 CA PRO A 94 2.426 0.144 5.898 1.00 0.00 C ATOM 1376 C PRO A 94 1.188 -0.684 6.245 1.00 0.00 C ATOM 1377 O PRO A 94 0.949 -0.994 7.411 1.00 0.00 O ATOM 1378 CB PRO A 94 3.724 -0.517 6.333 1.00 0.00 C ATOM 1379 CG PRO A 94 4.155 0.204 7.600 1.00 0.00 C ATOM 1380 CD PRO A 94 3.337 1.480 7.712 1.00 0.00 C ATOM 0 HA PRO A 94 2.392 0.250 4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.577 -1.581 6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.485 -0.432 5.557 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.995 -0.429 8.473 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.220 0.435 7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.807 1.528 8.663 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.972 2.364 7.656 1.00 0.00 H new ATOM 1388 N ALA A 95 0.431 -1.021 5.210 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.777 -1.807 5.390 1.00 0.00 C ATOM 1390 C ALA A 95 -0.397 -3.273 5.609 1.00 0.00 C ATOM 1391 O ALA A 95 -0.817 -4.147 4.852 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.695 -1.617 4.181 1.00 0.00 C ATOM 0 H ALA A 95 0.632 -0.763 4.244 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.325 -1.473 6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.602 -2.207 4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.958 -0.564 4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.180 -1.945 3.278 1.00 0.00 H new ATOM 1398 N THR A 96 0.392 -3.498 6.650 1.00 0.00 N ATOM 1399 CA THR A 96 0.832 -4.843 6.979 1.00 0.00 C ATOM 1400 C THR A 96 -0.336 -5.826 6.880 1.00 0.00 C ATOM 1401 O THR A 96 -1.447 -5.520 7.311 1.00 0.00 O ATOM 1402 CB THR A 96 1.477 -4.803 8.365 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.142 -3.543 8.403 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.607 -5.825 8.515 1.00 0.00 C ATOM 0 H THR A 96 0.738 -2.771 7.276 1.00 0.00 H new ATOM 0 HA THR A 96 1.577 -5.200 6.268 1.00 0.00 H new ATOM 0 HB THR A 96 0.717 -4.988 9.124 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.586 -3.434 9.270 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.031 -5.755 9.517 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.213 -6.829 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.383 -5.620 7.778 1.00 0.00 H new ATOM 1412 N LEU A 97 -0.046 -6.986 6.310 1.00 0.00 N ATOM 1413 CA LEU A 97 -1.058 -8.015 6.149 1.00 0.00 C ATOM 1414 C LEU A 97 -1.502 -8.508 7.528 1.00 0.00 C ATOM 1415 O LEU A 97 -0.722 -8.488 8.479 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.549 -9.130 5.233 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.819 -8.946 3.738 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.113 -10.026 2.916 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.322 -8.900 3.455 1.00 0.00 C ATOM 0 H LEU A 97 0.876 -7.236 5.954 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.940 -7.607 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.527 -9.230 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.002 -10.069 5.551 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.404 -7.986 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.321 -9.872 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.962 -9.968 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.476 -11.008 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.487 -8.769 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.782 -9.833 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.769 -8.066 3.996 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.754 -8.938 7.592 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.311 -9.434 8.839 1.00 0.00 C ATOM 1433 C LEU A 98 -2.519 -10.662 9.293 1.00 0.00 C ATOM 1434 O LEU A 98 -2.258 -10.832 10.483 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.812 -9.691 8.691 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.718 -8.465 8.823 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.953 -8.597 7.930 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -6.092 -8.216 10.286 1.00 0.00 C ATOM 0 H LEU A 98 -3.398 -8.953 6.801 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.215 -8.684 9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.988 -10.145 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.111 -10.422 9.442 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.164 -7.592 8.479 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.580 -7.712 8.043 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.641 -8.691 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.519 -9.482 8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.736 -7.339 10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.620 -9.085 10.680 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.187 -8.046 10.869 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.159 -11.487 8.321 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.402 -12.694 8.605 1.00 0.00 C ATOM 1452 C GLN A 99 -0.325 -12.909 7.540 1.00 0.00 C ATOM 1453 O GLN A 99 -0.426 -12.381 6.434 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.326 -13.910 8.704 1.00 0.00 C ATOM 1455 CG GLN A 99 -2.889 -14.284 7.331 1.00 0.00 C ATOM 1456 CD GLN A 99 -3.762 -15.537 7.419 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -4.474 -15.762 8.384 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -3.668 -16.337 6.361 1.00 0.00 N ATOM 0 H GLN A 99 -2.378 -11.343 7.335 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.911 -12.572 9.570 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.777 -14.756 9.119 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.145 -13.694 9.390 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.476 -13.455 6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.070 -14.455 6.633 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.052 -16.088 5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.212 -17.199 6.324 1.00 0.00 H new ATOM 1467 N PRO A 100 0.710 -13.706 7.921 1.00 0.00 N ATOM 1468 CA PRO A 100 1.805 -13.997 7.012 1.00 0.00 C ATOM 1469 C PRO A 100 1.377 -15.005 5.943 1.00 0.00 C ATOM 1470 O PRO A 100 0.276 -15.550 6.004 1.00 0.00 O ATOM 1471 CB PRO A 100 2.926 -14.512 7.899 1.00 0.00 C ATOM 1472 CG PRO A 100 2.268 -14.929 9.204 1.00 0.00 C ATOM 1473 CD PRO A 100 0.863 -14.349 9.223 1.00 0.00 C ATOM 0 HA PRO A 100 2.130 -13.121 6.451 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.437 -15.354 7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.676 -13.739 8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.234 -16.016 9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.843 -14.565 10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.115 -15.128 9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.741 -13.632 10.035 1.00 0.00 H new ATOM 1481 N VAL A 101 2.270 -15.222 4.989 1.00 0.00 N ATOM 1482 CA VAL A 101 1.998 -16.155 3.908 1.00 0.00 C ATOM 1483 C VAL A 101 3.023 -17.290 3.950 1.00 0.00 C ATOM 1484 O VAL A 101 4.218 -17.046 4.109 1.00 0.00 O ATOM 1485 CB VAL A 101 1.981 -15.414 2.570 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.045 -16.397 1.398 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.753 -14.508 2.459 1.00 0.00 C ATOM 0 H VAL A 101 3.182 -14.768 4.942 1.00 0.00 H new ATOM 0 HA VAL A 101 1.012 -16.603 4.029 1.00 0.00 H new ATOM 0 HB VAL A 101 2.868 -14.782 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.031 -15.844 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.963 -16.981 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.186 -17.067 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.766 -13.993 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.152 -15.111 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.769 -13.774 3.264 1.00 0.00 H new ATOM 1497 N THR A 102 2.518 -18.506 3.805 1.00 0.00 N ATOM 1498 CA THR A 102 3.374 -19.680 3.825 1.00 0.00 C ATOM 1499 C THR A 102 4.096 -19.836 2.485 1.00 0.00 C ATOM 1500 O THR A 102 5.123 -20.507 2.403 1.00 0.00 O ATOM 1501 CB THR A 102 2.513 -20.888 4.196 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.789 -21.102 5.577 1.00 0.00 O ATOM 1503 CG2 THR A 102 2.986 -22.175 3.517 1.00 0.00 C ATOM 0 H THR A 102 1.526 -18.704 3.673 1.00 0.00 H new ATOM 0 HA THR A 102 4.161 -19.583 4.573 1.00 0.00 H new ATOM 0 HB THR A 102 1.477 -20.692 3.921 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.269 -21.868 5.900 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.341 -23.002 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.943 -22.052 2.435 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.012 -22.389 3.818 1.00 0.00 H new ATOM 1511 N ILE A 103 3.529 -19.204 1.467 1.00 0.00 N ATOM 1512 CA ILE A 103 4.106 -19.264 0.135 1.00 0.00 C ATOM 1513 C ILE A 103 4.022 -20.700 -0.388 1.00 0.00 C ATOM 1514 O ILE A 103 4.847 -21.541 -0.036 1.00 0.00 O ATOM 1515 CB ILE A 103 5.525 -18.693 0.138 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.542 -17.271 0.702 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.148 -18.764 -1.257 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.864 -16.292 -0.259 1.00 0.00 C ATOM 0 H ILE A 103 2.677 -18.648 1.538 1.00 0.00 H new ATOM 0 HA ILE A 103 3.538 -18.639 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 103 6.139 -19.308 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.033 -17.252 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.571 -16.958 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.157 -18.352 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.191 -19.803 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.542 -18.188 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.890 -15.289 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.390 -16.296 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.828 -16.594 -0.415 1.00 0.00 H new ATOM 1530 N ARG A 104 3.018 -20.936 -1.219 1.00 0.00 N ATOM 1531 CA ARG A 104 2.816 -22.255 -1.794 1.00 0.00 C ATOM 1532 C ARG A 104 1.593 -22.252 -2.714 1.00 0.00 C ATOM 1533 O ARG A 104 0.619 -21.547 -2.455 1.00 0.00 O ATOM 1534 CB ARG A 104 2.620 -23.308 -0.701 1.00 0.00 C ATOM 1535 CG ARG A 104 3.894 -24.131 -0.499 1.00 0.00 C ATOM 1536 CD ARG A 104 3.561 -25.602 -0.241 1.00 0.00 C ATOM 1537 NE ARG A 104 4.733 -26.449 -0.559 1.00 0.00 N ATOM 1538 CZ ARG A 104 4.754 -27.782 -0.424 1.00 0.00 C ATOM 1539 NH1 ARG A 104 3.669 -28.428 0.024 1.00 0.00 N ATOM 1540 NH2 ARG A 104 5.861 -28.469 -0.737 1.00 0.00 N ATOM 0 H ARG A 104 2.335 -20.236 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 104 3.707 -22.506 -2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.346 -22.820 0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.795 -23.968 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.529 -24.047 -1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.461 -23.730 0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.273 -25.741 0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.708 -25.903 -0.850 1.00 0.00 H new ATOM 0 HE ARG A 104 5.577 -25.989 -0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.826 -27.905 0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.686 -29.443 0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.687 -27.977 -1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.878 -29.484 -0.634 1.00 0.00 H new ATOM 1554 N GLU A 105 1.684 -23.048 -3.769 1.00 0.00 N ATOM 1555 CA GLU A 105 0.597 -23.146 -4.728 1.00 0.00 C ATOM 1556 C GLU A 105 -0.296 -24.343 -4.398 1.00 0.00 C ATOM 1557 O GLU A 105 0.065 -25.183 -3.575 1.00 0.00 O ATOM 1558 CB GLU A 105 1.135 -23.241 -6.158 1.00 0.00 C ATOM 1559 CG GLU A 105 0.223 -22.498 -7.137 1.00 0.00 C ATOM 1560 CD GLU A 105 -0.001 -23.320 -8.408 1.00 0.00 C ATOM 1561 OE1 GLU A 105 -0.848 -24.238 -8.348 1.00 0.00 O ATOM 1562 OE2 GLU A 105 0.679 -23.013 -9.410 1.00 0.00 O ATOM 0 H GLU A 105 2.494 -23.631 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.004 -22.240 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.140 -22.821 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.214 -24.288 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.735 -22.290 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.667 -21.536 -7.395 1.00 0.00 H new