USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 648 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 36 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 65 HIS : no HD1:sc= -0.0693 X(o=-0.069,f=-0.069) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0358 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 176:sc= -0.128 USER MOD Single : A 29 SER OG : rot 38:sc= 0.43 USER MOD Single : A 30 SER OG : rot 47:sc= 0.292 USER MOD Single : A 35 ASN : amide:sc= -0.735 K(o=-0.74,f=-1.7!) USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00321 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 52 SER OG : rot 16:sc= 0.956 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -150:sc= -3.64! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 178:sc= 0.605 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -141:sc= -0.24 (180deg=-1.3) USER MOD Single : A 76 ASN : amide:sc= -0.944 X(o=-0.94,f=-1.3) USER MOD Single : A 77 TYR OH : rot -21:sc= 1.08 USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.14) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.831 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 88 HIS : no HD1:sc= -0.0287 K(o=-0.029,f=-0.57) USER MOD Single : A 92 SER OG : rot 11:sc= 0.998 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -59:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 6.954 -17.202 1.105 1.00 0.00 N ATOM 84 CA ASP A 10 6.046 -17.445 2.219 1.00 0.00 C ATOM 85 C ASP A 10 5.387 -16.147 2.676 1.00 0.00 C ATOM 86 O ASP A 10 6.004 -15.305 3.329 1.00 0.00 O ATOM 87 CB ASP A 10 6.797 -18.088 3.386 1.00 0.00 C ATOM 88 CG ASP A 10 6.998 -19.578 3.195 1.00 0.00 C ATOM 89 OD1 ASP A 10 5.990 -20.314 3.165 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.164 -20.008 3.073 1.00 0.00 O ATOM 0 HA ASP A 10 5.267 -18.127 1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.768 -17.605 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.245 -17.914 4.309 1.00 0.00 H new ATOM 95 N PRO A 11 4.104 -15.978 2.323 1.00 0.00 N ATOM 96 CA PRO A 11 3.334 -14.785 2.686 1.00 0.00 C ATOM 97 C PRO A 11 3.034 -14.719 4.180 1.00 0.00 C ATOM 98 O PRO A 11 2.874 -13.638 4.744 1.00 0.00 O ATOM 99 CB PRO A 11 2.037 -14.943 1.887 1.00 0.00 C ATOM 100 CG PRO A 11 1.904 -16.411 1.669 1.00 0.00 C ATOM 101 CD PRO A 11 3.306 -16.940 1.545 1.00 0.00 C ATOM 0 HA PRO A 11 3.878 -13.867 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.183 -14.545 2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.087 -14.405 0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.381 -16.883 2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.327 -16.621 0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.391 -17.950 1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.629 -16.982 0.505 1.00 0.00 H new ATOM 109 N GLY A 12 2.960 -15.885 4.815 1.00 0.00 N ATOM 110 CA GLY A 12 2.681 -15.937 6.238 1.00 0.00 C ATOM 111 C GLY A 12 3.715 -15.194 7.060 1.00 0.00 C ATOM 112 O GLY A 12 3.442 -14.778 8.187 1.00 0.00 O ATOM 0 H GLY A 12 3.088 -16.794 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.696 -15.510 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.645 -16.978 6.560 1.00 0.00 H new ATOM 116 N LEU A 13 4.907 -15.029 6.498 1.00 0.00 N ATOM 117 CA LEU A 13 5.988 -14.333 7.187 1.00 0.00 C ATOM 118 C LEU A 13 6.142 -12.910 6.660 1.00 0.00 C ATOM 119 O LEU A 13 7.156 -12.254 6.900 1.00 0.00 O ATOM 120 CB LEU A 13 7.303 -15.097 7.018 1.00 0.00 C ATOM 121 CG LEU A 13 7.251 -16.595 7.317 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.651 -17.191 7.303 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.575 -16.849 8.657 1.00 0.00 C ATOM 0 H LEU A 13 5.150 -15.368 5.567 1.00 0.00 H new ATOM 0 HA LEU A 13 5.738 -14.283 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.649 -14.963 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.050 -14.643 7.668 1.00 0.00 H new ATOM 0 HG LEU A 13 6.663 -17.081 6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.594 -18.258 7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.100 -17.042 6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.263 -16.700 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.547 -17.921 8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.135 -16.350 9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.558 -16.458 8.631 1.00 0.00 H new ATOM 135 N VAL A 14 5.129 -12.437 5.941 1.00 0.00 N ATOM 136 CA VAL A 14 5.150 -11.091 5.383 1.00 0.00 C ATOM 137 C VAL A 14 4.054 -10.225 5.994 1.00 0.00 C ATOM 138 O VAL A 14 2.894 -10.631 6.063 1.00 0.00 O ATOM 139 CB VAL A 14 4.977 -11.115 3.853 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.583 -9.739 3.338 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.252 -11.600 3.180 1.00 0.00 C ATOM 0 H VAL A 14 4.283 -12.967 5.731 1.00 0.00 H new ATOM 0 HA VAL A 14 6.123 -10.664 5.625 1.00 0.00 H new ATOM 0 HB VAL A 14 4.176 -11.812 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.465 -9.776 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.641 -9.435 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.360 -9.018 3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.112 -11.611 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.074 -10.930 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.485 -12.607 3.525 1.00 0.00 H new ATOM 151 N SER A 15 4.429 -9.029 6.436 1.00 0.00 N ATOM 152 CA SER A 15 3.478 -8.106 7.045 1.00 0.00 C ATOM 153 C SER A 15 3.813 -6.663 6.682 1.00 0.00 C ATOM 154 O SER A 15 4.923 -6.364 6.242 1.00 0.00 O ATOM 155 CB SER A 15 3.474 -8.274 8.565 1.00 0.00 C ATOM 156 OG SER A 15 2.257 -7.815 9.126 1.00 0.00 O ATOM 0 H SER A 15 5.385 -8.676 6.384 1.00 0.00 H new ATOM 0 HA SER A 15 2.486 -8.338 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.622 -9.324 8.818 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.308 -7.722 8.997 1.00 0.00 H new ATOM 0 HG SER A 15 2.279 -7.935 10.098 1.00 0.00 H new ATOM 162 N ALA A 16 2.845 -5.772 6.870 1.00 0.00 N ATOM 163 CA ALA A 16 3.037 -4.360 6.564 1.00 0.00 C ATOM 164 C ALA A 16 2.614 -3.482 7.737 1.00 0.00 C ATOM 165 O ALA A 16 1.712 -3.837 8.497 1.00 0.00 O ATOM 166 CB ALA A 16 2.261 -3.980 5.312 1.00 0.00 C ATOM 0 H ALA A 16 1.920 -6.003 7.233 1.00 0.00 H new ATOM 0 HA ALA A 16 4.099 -4.194 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.414 -2.923 5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.613 -4.577 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.199 -4.168 5.471 1.00 0.00 H new ATOM 172 N TYR A 17 3.270 -2.336 7.880 1.00 0.00 N ATOM 173 CA TYR A 17 2.964 -1.409 8.963 1.00 0.00 C ATOM 174 C TYR A 17 3.163 0.036 8.516 1.00 0.00 C ATOM 175 O TYR A 17 4.078 0.341 7.751 1.00 0.00 O ATOM 176 CB TYR A 17 3.843 -1.705 10.179 1.00 0.00 C ATOM 177 CG TYR A 17 5.324 -1.655 9.882 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.994 -0.440 9.793 1.00 0.00 C ATOM 179 CD2 TYR A 17 6.054 -2.821 9.690 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.348 -0.390 9.521 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.408 -2.780 9.419 1.00 0.00 C ATOM 182 CZ TYR A 17 8.050 -1.562 9.336 1.00 0.00 C ATOM 183 OH TYR A 17 9.399 -1.517 9.065 1.00 0.00 O ATOM 0 H TYR A 17 4.018 -2.026 7.259 1.00 0.00 H new ATOM 0 HA TYR A 17 1.918 -1.544 9.238 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.614 -0.986 10.966 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.592 -2.692 10.567 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.447 0.480 9.939 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.554 -3.776 9.754 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.853 0.562 9.454 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.961 -3.696 9.273 1.00 0.00 H new ATOM 0 HH TYR A 17 9.743 -2.429 8.963 1.00 0.00 H new ATOM 193 N GLY A 18 2.300 0.923 9.001 1.00 0.00 N ATOM 194 CA GLY A 18 2.397 2.326 8.642 1.00 0.00 C ATOM 195 C GLY A 18 1.067 3.045 8.747 1.00 0.00 C ATOM 196 O GLY A 18 0.004 2.426 8.784 1.00 0.00 O ATOM 0 H GLY A 18 1.535 0.695 9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.123 2.815 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.773 2.412 7.623 1.00 0.00 H new ATOM 200 N PRO A 19 1.117 4.385 8.800 1.00 0.00 N ATOM 201 CA PRO A 19 -0.084 5.218 8.904 1.00 0.00 C ATOM 202 C PRO A 19 -0.914 5.201 7.625 1.00 0.00 C ATOM 203 O PRO A 19 -2.080 5.593 7.625 1.00 0.00 O ATOM 204 CB PRO A 19 0.477 6.619 9.159 1.00 0.00 C ATOM 205 CG PRO A 19 1.845 6.592 8.570 1.00 0.00 C ATOM 206 CD PRO A 19 2.350 5.189 8.761 1.00 0.00 C ATOM 0 HA PRO A 19 -0.758 4.865 9.685 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.141 7.384 8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.509 6.845 10.225 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.820 6.857 7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.497 7.312 9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.004 4.883 7.944 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.923 5.090 9.683 1.00 0.00 H new ATOM 214 N GLY A 20 -0.304 4.745 6.535 1.00 0.00 N ATOM 215 CA GLY A 20 -1.003 4.685 5.264 1.00 0.00 C ATOM 216 C GLY A 20 -2.002 3.548 5.205 1.00 0.00 C ATOM 217 O GLY A 20 -3.070 3.680 4.604 1.00 0.00 O ATOM 0 H GLY A 20 0.661 4.416 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.521 5.629 5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.277 4.569 4.459 1.00 0.00 H new ATOM 221 N LEU A 21 -1.658 2.426 5.827 1.00 0.00 N ATOM 222 CA LEU A 21 -2.533 1.259 5.842 1.00 0.00 C ATOM 223 C LEU A 21 -3.720 1.479 6.774 1.00 0.00 C ATOM 224 O LEU A 21 -4.821 0.994 6.518 1.00 0.00 O ATOM 225 CB LEU A 21 -1.752 0.017 6.276 1.00 0.00 C ATOM 226 CG LEU A 21 -0.387 -0.182 5.617 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.522 -1.010 6.511 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.543 -0.842 4.255 1.00 0.00 C ATOM 0 H LEU A 21 -0.779 2.300 6.328 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.912 1.108 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.609 0.061 7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.363 -0.862 6.071 1.00 0.00 H new ATOM 0 HG LEU A 21 0.071 0.796 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.489 -1.141 6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.661 -0.498 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.069 -1.986 6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.439 -0.976 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.023 -1.813 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.157 -0.210 3.613 1.00 0.00 H new ATOM 240 N GLU A 22 -3.487 2.217 7.855 1.00 0.00 N ATOM 241 CA GLU A 22 -4.538 2.503 8.825 1.00 0.00 C ATOM 242 C GLU A 22 -5.312 3.758 8.434 1.00 0.00 C ATOM 243 O GLU A 22 -6.440 3.969 8.878 1.00 0.00 O ATOM 244 CB GLU A 22 -3.940 2.674 10.223 1.00 0.00 C ATOM 245 CG GLU A 22 -3.802 1.369 10.990 1.00 0.00 C ATOM 246 CD GLU A 22 -3.269 1.572 12.395 1.00 0.00 C ATOM 247 OE1 GLU A 22 -2.041 1.733 12.547 1.00 0.00 O ATOM 248 OE2 GLU A 22 -4.083 1.570 13.343 1.00 0.00 O ATOM 0 H GLU A 22 -2.581 2.627 8.081 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.228 1.659 8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.958 3.139 10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.566 3.358 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.774 0.878 11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.135 0.701 10.445 1.00 0.00 H new ATOM 255 N GLY A 23 -4.697 4.590 7.599 1.00 0.00 N ATOM 256 CA GLY A 23 -5.342 5.815 7.163 1.00 0.00 C ATOM 257 C GLY A 23 -4.755 7.047 7.824 1.00 0.00 C ATOM 258 O GLY A 23 -4.019 6.943 8.804 1.00 0.00 O ATOM 0 H GLY A 23 -3.764 4.438 7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.247 5.907 6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.408 5.760 7.386 1.00 0.00 H new ATOM 262 N GLY A 24 -5.081 8.218 7.285 1.00 0.00 N ATOM 263 CA GLY A 24 -4.571 9.457 7.841 1.00 0.00 C ATOM 264 C GLY A 24 -5.450 10.647 7.508 1.00 0.00 C ATOM 265 O GLY A 24 -6.621 10.689 7.886 1.00 0.00 O ATOM 0 H GLY A 24 -5.689 8.330 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.491 9.360 8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.565 9.635 7.462 1.00 0.00 H new ATOM 269 N THR A 25 -4.885 11.619 6.798 1.00 0.00 N ATOM 270 CA THR A 25 -5.624 12.816 6.417 1.00 0.00 C ATOM 271 C THR A 25 -5.457 13.115 4.932 1.00 0.00 C ATOM 272 O THR A 25 -4.444 12.762 4.326 1.00 0.00 O ATOM 273 CB THR A 25 -5.166 14.041 7.230 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.549 13.890 8.602 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.769 15.319 6.668 1.00 0.00 C ATOM 0 H THR A 25 -3.918 11.600 6.475 1.00 0.00 H new ATOM 0 HA THR A 25 -6.675 12.620 6.630 1.00 0.00 H new ATOM 0 HB THR A 25 -4.080 14.109 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.253 14.672 9.112 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.431 16.171 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.452 15.446 5.633 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.856 15.257 6.709 1.00 0.00 H new ATOM 283 N THR A 26 -6.457 13.768 4.348 1.00 0.00 N ATOM 284 CA THR A 26 -6.422 14.115 2.933 1.00 0.00 C ATOM 285 C THR A 26 -5.284 15.083 2.633 1.00 0.00 C ATOM 286 O THR A 26 -4.798 15.781 3.522 1.00 0.00 O ATOM 287 CB THR A 26 -7.751 14.744 2.475 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.238 15.643 3.478 1.00 0.00 O ATOM 289 CG2 THR A 26 -8.792 13.670 2.200 1.00 0.00 C ATOM 0 H THR A 26 -7.302 14.067 4.834 1.00 0.00 H new ATOM 0 HA THR A 26 -6.261 13.187 2.384 1.00 0.00 H new ATOM 0 HB THR A 26 -7.568 15.294 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.052 16.084 3.155 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.722 14.139 1.878 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.430 13.005 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.971 13.096 3.109 1.00 0.00 H new ATOM 297 N GLY A 27 -4.862 15.121 1.372 1.00 0.00 N ATOM 298 CA GLY A 27 -3.784 16.009 0.977 1.00 0.00 C ATOM 299 C GLY A 27 -2.500 15.735 1.735 1.00 0.00 C ATOM 300 O GLY A 27 -1.581 16.554 1.730 1.00 0.00 O ATOM 0 H GLY A 27 -5.247 14.553 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.601 15.901 -0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.088 17.042 1.145 1.00 0.00 H new ATOM 304 N VAL A 28 -2.437 14.581 2.392 1.00 0.00 N ATOM 305 CA VAL A 28 -1.257 14.201 3.159 1.00 0.00 C ATOM 306 C VAL A 28 -0.634 12.921 2.613 1.00 0.00 C ATOM 307 O VAL A 28 -1.245 11.854 2.656 1.00 0.00 O ATOM 308 CB VAL A 28 -1.596 13.999 4.648 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.348 13.628 5.434 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.245 15.250 5.220 1.00 0.00 C ATOM 0 H VAL A 28 -3.190 13.893 2.408 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.542 15.018 3.064 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.307 13.177 4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.607 13.489 6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.070 12.702 5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.389 14.426 5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.478 15.090 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.559 16.092 5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.163 15.466 4.674 1.00 0.00 H new ATOM 320 N SER A 29 0.586 13.036 2.098 1.00 0.00 N ATOM 321 CA SER A 29 1.291 11.888 1.540 1.00 0.00 C ATOM 322 C SER A 29 1.343 10.741 2.545 1.00 0.00 C ATOM 323 O SER A 29 2.088 10.792 3.523 1.00 0.00 O ATOM 324 CB SER A 29 2.710 12.286 1.128 1.00 0.00 C ATOM 325 OG SER A 29 3.401 12.898 2.203 1.00 0.00 O ATOM 0 H SER A 29 1.107 13.912 2.056 1.00 0.00 H new ATOM 0 HA SER A 29 0.746 11.551 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.257 11.403 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.667 12.972 0.282 1.00 0.00 H new ATOM 0 HG SER A 29 3.159 12.454 3.042 1.00 0.00 H new ATOM 331 N SER A 30 0.547 9.707 2.294 1.00 0.00 N ATOM 332 CA SER A 30 0.498 8.548 3.178 1.00 0.00 C ATOM 333 C SER A 30 1.292 7.384 2.592 1.00 0.00 C ATOM 334 O SER A 30 1.132 7.038 1.422 1.00 0.00 O ATOM 335 CB SER A 30 -0.952 8.123 3.417 1.00 0.00 C ATOM 336 OG SER A 30 -1.746 9.224 3.823 1.00 0.00 O ATOM 0 H SER A 30 -0.073 9.648 1.486 1.00 0.00 H new ATOM 0 HA SER A 30 0.948 8.829 4.130 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.363 7.691 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.985 7.346 4.180 1.00 0.00 H new ATOM 0 HG SER A 30 -1.568 9.989 3.237 1.00 0.00 H new ATOM 342 N GLU A 31 2.147 6.786 3.414 1.00 0.00 N ATOM 343 CA GLU A 31 2.966 5.661 2.977 1.00 0.00 C ATOM 344 C GLU A 31 3.021 4.578 4.051 1.00 0.00 C ATOM 345 O GLU A 31 2.543 4.772 5.169 1.00 0.00 O ATOM 346 CB GLU A 31 4.383 6.133 2.642 1.00 0.00 C ATOM 347 CG GLU A 31 5.106 6.770 3.816 1.00 0.00 C ATOM 348 CD GLU A 31 4.607 8.169 4.120 1.00 0.00 C ATOM 349 OE1 GLU A 31 4.406 8.947 3.164 1.00 0.00 O ATOM 350 OE2 GLU A 31 4.418 8.486 5.313 1.00 0.00 O ATOM 0 H GLU A 31 2.291 7.061 4.386 1.00 0.00 H new ATOM 0 HA GLU A 31 2.509 5.239 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.965 5.283 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.334 6.851 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.979 6.143 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.174 6.808 3.603 1.00 0.00 H new ATOM 357 N PHE A 32 3.605 3.437 3.702 1.00 0.00 N ATOM 358 CA PHE A 32 3.721 2.321 4.634 1.00 0.00 C ATOM 359 C PHE A 32 4.859 1.389 4.228 1.00 0.00 C ATOM 360 O PHE A 32 5.205 1.292 3.050 1.00 0.00 O ATOM 361 CB PHE A 32 2.406 1.542 4.696 1.00 0.00 C ATOM 362 CG PHE A 32 1.913 1.090 3.351 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.302 -0.133 2.830 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.060 1.890 2.606 1.00 0.00 C ATOM 365 CE1 PHE A 32 1.850 -0.552 1.593 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.604 1.477 1.369 1.00 0.00 C ATOM 367 CZ PHE A 32 1.001 0.255 0.861 1.00 0.00 C ATOM 0 H PHE A 32 4.005 3.260 2.781 1.00 0.00 H new ATOM 0 HA PHE A 32 3.942 2.726 5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.539 0.670 5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.644 2.167 5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.967 -0.767 3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.748 2.847 2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.160 -1.509 1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.062 2.109 0.800 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.648 -0.069 -0.107 1.00 0.00 H new ATOM 377 N ILE A 33 5.436 0.707 5.211 1.00 0.00 N ATOM 378 CA ILE A 33 6.534 -0.218 4.957 1.00 0.00 C ATOM 379 C ILE A 33 6.059 -1.666 5.019 1.00 0.00 C ATOM 380 O ILE A 33 5.271 -2.035 5.889 1.00 0.00 O ATOM 381 CB ILE A 33 7.680 -0.022 5.966 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.395 1.306 5.708 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.661 -1.182 5.885 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.543 1.569 6.656 1.00 0.00 C ATOM 0 H ILE A 33 5.162 0.777 6.191 1.00 0.00 H new ATOM 0 HA ILE A 33 6.903 -0.002 3.954 1.00 0.00 H new ATOM 0 HB ILE A 33 7.259 0.003 6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.770 1.314 4.685 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.674 2.119 5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.466 -1.029 6.604 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.143 -2.113 6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.079 -1.236 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.003 2.527 6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.171 1.594 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.284 0.776 6.558 1.00 0.00 H new ATOM 396 N VAL A 34 6.546 -2.483 4.090 1.00 0.00 N ATOM 397 CA VAL A 34 6.174 -3.892 4.040 1.00 0.00 C ATOM 398 C VAL A 34 7.353 -4.784 4.410 1.00 0.00 C ATOM 399 O VAL A 34 8.327 -4.884 3.664 1.00 0.00 O ATOM 400 CB VAL A 34 5.662 -4.288 2.643 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.068 -5.688 2.669 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.642 -3.276 2.143 1.00 0.00 C ATOM 0 H VAL A 34 7.199 -2.193 3.362 1.00 0.00 H new ATOM 0 HA VAL A 34 5.373 -4.034 4.765 1.00 0.00 H new ATOM 0 HB VAL A 34 6.506 -4.290 1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.711 -5.951 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.831 -6.401 2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.235 -5.717 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.291 -3.571 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.798 -3.239 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.105 -2.291 2.084 1.00 0.00 H new ATOM 412 N ASN A 35 7.258 -5.433 5.566 1.00 0.00 N ATOM 413 CA ASN A 35 8.318 -6.318 6.035 1.00 0.00 C ATOM 414 C ASN A 35 8.282 -7.650 5.292 1.00 0.00 C ATOM 415 O ASN A 35 7.502 -8.542 5.629 1.00 0.00 O ATOM 416 CB ASN A 35 8.182 -6.557 7.540 1.00 0.00 C ATOM 417 CG ASN A 35 8.754 -7.895 7.967 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.039 -8.895 8.038 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.051 -7.919 8.254 1.00 0.00 N ATOM 0 H ASN A 35 6.458 -5.363 6.195 1.00 0.00 H new ATOM 0 HA ASN A 35 9.275 -5.836 5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.691 -5.758 8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.129 -6.509 7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.492 -8.791 8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.605 -7.066 8.181 1.00 0.00 H new ATOM 426 N THR A 36 9.133 -7.780 4.279 1.00 0.00 N ATOM 427 CA THR A 36 9.199 -9.002 3.488 1.00 0.00 C ATOM 428 C THR A 36 10.517 -9.734 3.715 1.00 0.00 C ATOM 429 O THR A 36 10.812 -10.726 3.047 1.00 0.00 O ATOM 430 CB THR A 36 9.042 -8.707 1.984 1.00 0.00 C ATOM 431 OG1 THR A 36 9.920 -7.644 1.599 1.00 0.00 O ATOM 432 CG2 THR A 36 7.606 -8.329 1.654 1.00 0.00 C ATOM 0 H THR A 36 9.786 -7.053 3.987 1.00 0.00 H new ATOM 0 HA THR A 36 8.374 -9.635 3.815 1.00 0.00 H new ATOM 0 HB THR A 36 9.300 -9.610 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.060 -7.671 0.629 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.519 -8.125 0.587 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.943 -9.152 1.921 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.325 -7.439 2.217 1.00 0.00 H new ATOM 440 N LEU A 37 11.307 -9.239 4.661 1.00 0.00 N ATOM 441 CA LEU A 37 12.595 -9.847 4.978 1.00 0.00 C ATOM 442 C LEU A 37 12.408 -11.230 5.593 1.00 0.00 C ATOM 443 O LEU A 37 13.060 -12.192 5.191 1.00 0.00 O ATOM 444 CB LEU A 37 13.382 -8.951 5.937 1.00 0.00 C ATOM 445 CG LEU A 37 13.621 -7.515 5.470 1.00 0.00 C ATOM 446 CD1 LEU A 37 13.752 -6.581 6.663 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.862 -7.439 4.593 1.00 0.00 C ATOM 0 H LEU A 37 11.079 -8.418 5.222 1.00 0.00 H new ATOM 0 HA LEU A 37 13.156 -9.956 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.853 -8.919 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.349 -9.416 6.126 1.00 0.00 H new ATOM 0 HG LEU A 37 12.762 -7.198 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.922 -5.563 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.836 -6.613 7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.593 -6.896 7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.017 -6.410 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.730 -7.775 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.730 -8.078 3.720 1.00 0.00 H new ATOM 459 N ASN A 38 11.511 -11.321 6.570 1.00 0.00 N ATOM 460 CA ASN A 38 11.237 -12.587 7.240 1.00 0.00 C ATOM 461 C ASN A 38 10.855 -13.665 6.230 1.00 0.00 C ATOM 462 O ASN A 38 10.981 -14.858 6.503 1.00 0.00 O ATOM 463 CB ASN A 38 10.114 -12.412 8.265 1.00 0.00 C ATOM 464 CG ASN A 38 10.636 -11.996 9.627 1.00 0.00 C ATOM 465 OD1 ASN A 38 11.711 -11.216 9.636 1.00 0.00 O flip ATOM 466 ND2 ASN A 38 10.078 -12.371 10.659 1.00 0.00 N flip ATOM 0 H ASN A 38 10.962 -10.534 6.915 1.00 0.00 H new ATOM 0 HA ASN A 38 12.145 -12.902 7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.410 -11.663 7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.563 -13.348 8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.254 -12.970 10.605 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.440 -12.082 11.568 1.00 0.00 H new ATOM 473 N ALA A 39 10.387 -13.236 5.062 1.00 0.00 N ATOM 474 CA ALA A 39 9.990 -14.163 4.011 1.00 0.00 C ATOM 475 C ALA A 39 11.207 -14.824 3.372 1.00 0.00 C ATOM 476 O ALA A 39 11.342 -16.047 3.390 1.00 0.00 O ATOM 477 CB ALA A 39 9.163 -13.443 2.956 1.00 0.00 C ATOM 0 H ALA A 39 10.274 -12.251 4.821 1.00 0.00 H new ATOM 0 HA ALA A 39 9.380 -14.945 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.873 -14.148 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.269 -13.025 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.754 -12.639 2.517 1.00 0.00 H new ATOM 483 N GLY A 40 12.090 -14.006 2.808 1.00 0.00 N ATOM 484 CA GLY A 40 13.285 -14.530 2.171 1.00 0.00 C ATOM 485 C GLY A 40 13.560 -13.877 0.831 1.00 0.00 C ATOM 486 O GLY A 40 14.482 -13.071 0.704 1.00 0.00 O ATOM 0 H GLY A 40 12.000 -12.990 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.141 -14.377 2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.177 -15.606 2.032 1.00 0.00 H new ATOM 490 N SER A 41 12.761 -14.228 -0.172 1.00 0.00 N ATOM 491 CA SER A 41 12.927 -13.674 -1.511 1.00 0.00 C ATOM 492 C SER A 41 11.743 -14.039 -2.400 1.00 0.00 C ATOM 493 O SER A 41 11.332 -15.198 -2.462 1.00 0.00 O ATOM 494 CB SER A 41 14.226 -14.183 -2.138 1.00 0.00 C ATOM 495 OG SER A 41 14.077 -15.509 -2.616 1.00 0.00 O ATOM 0 H SER A 41 11.993 -14.893 -0.083 1.00 0.00 H new ATOM 0 HA SER A 41 12.974 -12.588 -1.426 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.518 -13.528 -2.959 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.028 -14.147 -1.401 1.00 0.00 H new ATOM 0 HG SER A 41 14.921 -15.810 -3.013 1.00 0.00 H new ATOM 501 N GLY A 42 11.197 -13.041 -3.088 1.00 0.00 N ATOM 502 CA GLY A 42 10.065 -13.276 -3.965 1.00 0.00 C ATOM 503 C GLY A 42 9.509 -11.993 -4.551 1.00 0.00 C ATOM 504 O GLY A 42 10.057 -10.914 -4.330 1.00 0.00 O ATOM 0 H GLY A 42 11.519 -12.074 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.368 -13.940 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.279 -13.788 -3.410 1.00 0.00 H new ATOM 508 N ALA A 43 8.420 -12.111 -5.303 1.00 0.00 N ATOM 509 CA ALA A 43 7.790 -10.951 -5.922 1.00 0.00 C ATOM 510 C ALA A 43 6.675 -10.397 -5.043 1.00 0.00 C ATOM 511 O ALA A 43 6.008 -11.143 -4.323 1.00 0.00 O ATOM 512 CB ALA A 43 7.249 -11.316 -7.297 1.00 0.00 C ATOM 0 H ALA A 43 7.956 -12.998 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 43 8.547 -10.175 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.781 -10.441 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.067 -11.657 -7.931 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.511 -12.112 -7.198 1.00 0.00 H new ATOM 518 N LEU A 44 6.477 -9.085 -5.104 1.00 0.00 N ATOM 519 CA LEU A 44 5.441 -8.430 -4.311 1.00 0.00 C ATOM 520 C LEU A 44 4.487 -7.645 -5.205 1.00 0.00 C ATOM 521 O LEU A 44 4.873 -7.161 -6.269 1.00 0.00 O ATOM 522 CB LEU A 44 6.076 -7.496 -3.279 1.00 0.00 C ATOM 523 CG LEU A 44 5.106 -6.646 -2.458 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.427 -7.491 -1.392 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.834 -5.469 -1.824 1.00 0.00 C ATOM 0 H LEU A 44 7.019 -8.454 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 44 4.872 -9.201 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.672 -8.097 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.764 -6.828 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 44 4.339 -6.256 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.740 -6.869 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.873 -8.300 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.181 -7.910 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.128 -4.875 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.622 -5.839 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.273 -4.849 -2.606 1.00 0.00 H new ATOM 537 N SER A 45 3.239 -7.522 -4.765 1.00 0.00 N ATOM 538 CA SER A 45 2.228 -6.797 -5.526 1.00 0.00 C ATOM 539 C SER A 45 1.490 -5.800 -4.637 1.00 0.00 C ATOM 540 O SER A 45 1.005 -6.150 -3.561 1.00 0.00 O ATOM 541 CB SER A 45 1.231 -7.775 -6.152 1.00 0.00 C ATOM 542 OG SER A 45 0.216 -7.085 -6.861 1.00 0.00 O ATOM 0 H SER A 45 2.904 -7.915 -3.886 1.00 0.00 H new ATOM 0 HA SER A 45 2.732 -6.246 -6.320 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.755 -8.451 -6.827 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.781 -8.389 -5.372 1.00 0.00 H new ATOM 0 HG SER A 45 -0.407 -7.732 -7.253 1.00 0.00 H new ATOM 548 N VAL A 46 1.409 -4.555 -5.096 1.00 0.00 N ATOM 549 CA VAL A 46 0.730 -3.506 -4.345 1.00 0.00 C ATOM 550 C VAL A 46 -0.314 -2.802 -5.205 1.00 0.00 C ATOM 551 O VAL A 46 -0.077 -2.515 -6.379 1.00 0.00 O ATOM 552 CB VAL A 46 1.728 -2.462 -3.810 1.00 0.00 C ATOM 553 CG1 VAL A 46 1.012 -1.427 -2.956 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.837 -3.142 -3.021 1.00 0.00 C ATOM 0 H VAL A 46 1.805 -4.248 -5.984 1.00 0.00 H new ATOM 0 HA VAL A 46 0.236 -3.990 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 46 2.179 -1.948 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.733 -0.698 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.257 -0.919 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.532 -1.921 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.533 -2.390 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.405 -3.683 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.368 -3.841 -3.668 1.00 0.00 H new ATOM 564 N THR A 47 -1.471 -2.524 -4.612 1.00 0.00 N ATOM 565 CA THR A 47 -2.552 -1.853 -5.324 1.00 0.00 C ATOM 566 C THR A 47 -3.507 -1.169 -4.353 1.00 0.00 C ATOM 567 O THR A 47 -3.629 -1.575 -3.197 1.00 0.00 O ATOM 568 CB THR A 47 -3.347 -2.841 -6.198 1.00 0.00 C ATOM 569 OG1 THR A 47 -3.649 -4.024 -5.450 1.00 0.00 O ATOM 570 CG2 THR A 47 -2.562 -3.211 -7.447 1.00 0.00 C ATOM 0 H THR A 47 -1.683 -2.753 -3.641 1.00 0.00 H new ATOM 0 HA THR A 47 -2.091 -1.102 -5.966 1.00 0.00 H new ATOM 0 HB THR A 47 -4.275 -2.357 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.156 -4.646 -6.012 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.143 -3.910 -8.049 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.360 -2.312 -8.029 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.619 -3.677 -7.160 1.00 0.00 H new ATOM 578 N ILE A 48 -4.184 -0.129 -4.830 1.00 0.00 N ATOM 579 CA ILE A 48 -5.131 0.610 -4.004 1.00 0.00 C ATOM 580 C ILE A 48 -6.439 0.851 -4.749 1.00 0.00 C ATOM 581 O ILE A 48 -6.468 0.886 -5.979 1.00 0.00 O ATOM 582 CB ILE A 48 -4.550 1.964 -3.557 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.378 1.750 -2.597 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.629 2.814 -2.903 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.792 3.038 -2.061 1.00 0.00 C ATOM 0 H ILE A 48 -4.094 0.220 -5.784 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.326 -0.001 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.182 2.492 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.712 1.136 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.596 1.191 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.202 3.768 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.434 2.991 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.024 2.293 -2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.966 2.809 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.427 3.644 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.560 3.589 -1.519 1.00 0.00 H new ATOM 597 N ASP A 49 -7.520 1.019 -3.995 1.00 0.00 N ATOM 598 CA ASP A 49 -8.832 1.260 -4.584 1.00 0.00 C ATOM 599 C ASP A 49 -9.694 2.114 -3.658 1.00 0.00 C ATOM 600 O ASP A 49 -9.963 1.735 -2.519 1.00 0.00 O ATOM 601 CB ASP A 49 -9.535 -0.066 -4.876 1.00 0.00 C ATOM 602 CG ASP A 49 -10.494 0.033 -6.047 1.00 0.00 C ATOM 603 OD1 ASP A 49 -11.507 0.753 -5.925 1.00 0.00 O ATOM 604 OD2 ASP A 49 -10.231 -0.610 -7.085 1.00 0.00 O ATOM 0 H ASP A 49 -7.514 0.993 -2.975 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.690 1.800 -5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.788 -0.832 -5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.081 -0.388 -3.989 1.00 0.00 H new ATOM 609 N GLY A 50 -10.124 3.269 -4.156 1.00 0.00 N ATOM 610 CA GLY A 50 -10.949 4.159 -3.360 1.00 0.00 C ATOM 611 C GLY A 50 -11.926 4.954 -4.204 1.00 0.00 C ATOM 612 O GLY A 50 -12.121 4.680 -5.389 1.00 0.00 O ATOM 0 H GLY A 50 -9.916 3.604 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.501 3.576 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.308 4.846 -2.807 1.00 0.00 H new ATOM 616 N PRO A 51 -12.561 5.962 -3.590 1.00 0.00 N ATOM 617 CA PRO A 51 -13.534 6.819 -4.273 1.00 0.00 C ATOM 618 C PRO A 51 -12.880 7.730 -5.306 1.00 0.00 C ATOM 619 O PRO A 51 -13.562 8.462 -6.024 1.00 0.00 O ATOM 620 CB PRO A 51 -14.139 7.646 -3.137 1.00 0.00 C ATOM 621 CG PRO A 51 -13.088 7.667 -2.082 1.00 0.00 C ATOM 622 CD PRO A 51 -12.377 6.345 -2.179 1.00 0.00 C ATOM 0 HA PRO A 51 -14.267 6.237 -4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.386 8.654 -3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.061 7.197 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.396 8.495 -2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.529 7.801 -1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.322 6.436 -1.922 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.807 5.607 -1.503 1.00 0.00 H new ATOM 630 N SER A 52 -11.553 7.682 -5.375 1.00 0.00 N ATOM 631 CA SER A 52 -10.806 8.506 -6.318 1.00 0.00 C ATOM 632 C SER A 52 -9.417 7.925 -6.565 1.00 0.00 C ATOM 633 O SER A 52 -8.728 7.513 -5.632 1.00 0.00 O ATOM 634 CB SER A 52 -10.686 9.938 -5.792 1.00 0.00 C ATOM 635 OG SER A 52 -11.911 10.637 -5.934 1.00 0.00 O ATOM 0 H SER A 52 -10.973 7.081 -4.789 1.00 0.00 H new ATOM 0 HA SER A 52 -11.349 8.518 -7.263 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.393 9.920 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.899 10.463 -6.333 1.00 0.00 H new ATOM 0 HG SER A 52 -12.635 9.998 -6.099 1.00 0.00 H new ATOM 641 N LYS A 53 -9.012 7.896 -7.830 1.00 0.00 N ATOM 642 CA LYS A 53 -7.705 7.368 -8.204 1.00 0.00 C ATOM 643 C LYS A 53 -6.598 8.027 -7.387 1.00 0.00 C ATOM 644 O LYS A 53 -6.517 9.253 -7.309 1.00 0.00 O ATOM 645 CB LYS A 53 -7.452 7.587 -9.697 1.00 0.00 C ATOM 646 CG LYS A 53 -7.941 6.445 -10.571 1.00 0.00 C ATOM 647 CD LYS A 53 -9.428 6.562 -10.860 1.00 0.00 C ATOM 648 CE LYS A 53 -10.039 5.209 -11.191 1.00 0.00 C ATOM 649 NZ LYS A 53 -11.525 5.233 -11.092 1.00 0.00 N ATOM 0 H LYS A 53 -9.571 8.232 -8.614 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.699 6.298 -7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.944 8.508 -10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.383 7.726 -9.859 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.386 6.440 -11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.739 5.495 -10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.935 6.990 -9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.585 7.247 -11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.747 4.915 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.642 4.455 -10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.904 4.293 -11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.804 5.489 -10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.906 5.934 -11.759 1.00 0.00 H new ATOM 663 N VAL A 54 -5.747 7.205 -6.782 1.00 0.00 N ATOM 664 CA VAL A 54 -4.643 7.709 -5.973 1.00 0.00 C ATOM 665 C VAL A 54 -3.304 7.470 -6.662 1.00 0.00 C ATOM 666 O VAL A 54 -3.109 6.452 -7.325 1.00 0.00 O ATOM 667 CB VAL A 54 -4.617 7.046 -4.583 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.745 7.584 -3.715 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.708 5.533 -4.712 1.00 0.00 C ATOM 0 H VAL A 54 -5.800 6.188 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.802 8.781 -5.853 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.670 7.290 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.712 7.105 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.630 8.661 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.703 7.372 -4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.688 5.081 -3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.638 5.266 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.863 5.166 -5.295 1.00 0.00 H new ATOM 679 N GLN A 55 -2.384 8.416 -6.500 1.00 0.00 N ATOM 680 CA GLN A 55 -1.063 8.308 -7.107 1.00 0.00 C ATOM 681 C GLN A 55 -0.066 7.688 -6.134 1.00 0.00 C ATOM 682 O GLN A 55 0.407 8.348 -5.208 1.00 0.00 O ATOM 683 CB GLN A 55 -0.569 9.686 -7.552 1.00 0.00 C ATOM 684 CG GLN A 55 0.439 9.633 -8.689 1.00 0.00 C ATOM 685 CD GLN A 55 0.733 11.001 -9.272 1.00 0.00 C ATOM 686 OE1 GLN A 55 1.192 11.902 -8.570 1.00 0.00 O ATOM 687 NE2 GLN A 55 0.471 11.163 -10.564 1.00 0.00 N ATOM 0 H GLN A 55 -2.529 9.265 -5.954 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.144 7.659 -7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.424 10.286 -7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.117 10.193 -6.700 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.367 9.190 -8.327 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.060 8.981 -9.476 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.091 10.389 -11.108 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.650 12.062 -11.012 1.00 0.00 H new ATOM 696 N LEU A 56 0.250 6.416 -6.349 1.00 0.00 N ATOM 697 CA LEU A 56 1.191 5.705 -5.490 1.00 0.00 C ATOM 698 C LEU A 56 2.589 5.702 -6.101 1.00 0.00 C ATOM 699 O LEU A 56 2.746 5.810 -7.317 1.00 0.00 O ATOM 700 CB LEU A 56 0.719 4.269 -5.261 1.00 0.00 C ATOM 701 CG LEU A 56 0.659 3.376 -6.501 1.00 0.00 C ATOM 702 CD1 LEU A 56 0.840 1.916 -6.117 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.656 3.576 -7.240 1.00 0.00 C ATOM 0 H LEU A 56 -0.132 5.855 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 56 1.234 6.223 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.382 3.802 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.274 4.301 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 56 1.474 3.659 -7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.794 1.296 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.808 1.784 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.048 1.620 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.681 2.932 -8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.486 3.322 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.745 4.617 -7.550 1.00 0.00 H new ATOM 715 N ASP A 57 3.601 5.574 -5.249 1.00 0.00 N ATOM 716 CA ASP A 57 4.986 5.553 -5.705 1.00 0.00 C ATOM 717 C ASP A 57 5.762 4.426 -5.032 1.00 0.00 C ATOM 718 O ASP A 57 6.059 4.490 -3.838 1.00 0.00 O ATOM 719 CB ASP A 57 5.660 6.896 -5.418 1.00 0.00 C ATOM 720 CG ASP A 57 6.899 7.114 -6.264 1.00 0.00 C ATOM 721 OD1 ASP A 57 7.938 6.489 -5.967 1.00 0.00 O ATOM 722 OD2 ASP A 57 6.828 7.910 -7.224 1.00 0.00 O ATOM 0 H ASP A 57 3.488 5.483 -4.239 1.00 0.00 H new ATOM 0 HA ASP A 57 4.986 5.378 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.950 7.702 -5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.930 6.946 -4.363 1.00 0.00 H new ATOM 727 N CYS A 58 6.086 3.395 -5.804 1.00 0.00 N ATOM 728 CA CYS A 58 6.826 2.251 -5.281 1.00 0.00 C ATOM 729 C CYS A 58 8.309 2.581 -5.142 1.00 0.00 C ATOM 730 O CYS A 58 8.936 3.075 -6.079 1.00 0.00 O ATOM 731 CB CYS A 58 6.645 1.039 -6.196 1.00 0.00 C ATOM 732 SG CYS A 58 7.620 -0.404 -5.710 1.00 0.00 S ATOM 0 H CYS A 58 5.848 3.327 -6.794 1.00 0.00 H new ATOM 0 HA CYS A 58 6.430 2.014 -4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.591 0.763 -6.212 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.916 1.321 -7.213 1.00 0.00 H new ATOM 0 HG CYS A 58 7.398 -1.378 -6.542 1.00 0.00 H new ATOM 738 N ARG A 59 8.863 2.305 -3.966 1.00 0.00 N ATOM 739 CA ARG A 59 10.271 2.575 -3.703 1.00 0.00 C ATOM 740 C ARG A 59 10.935 1.383 -3.020 1.00 0.00 C ATOM 741 O ARG A 59 10.279 0.390 -2.709 1.00 0.00 O ATOM 742 CB ARG A 59 10.419 3.824 -2.831 1.00 0.00 C ATOM 743 CG ARG A 59 10.374 5.124 -3.617 1.00 0.00 C ATOM 744 CD ARG A 59 11.037 6.260 -2.853 1.00 0.00 C ATOM 745 NE ARG A 59 11.543 7.298 -3.747 1.00 0.00 N ATOM 746 CZ ARG A 59 10.783 8.256 -4.265 1.00 0.00 C ATOM 747 NH1 ARG A 59 9.489 8.307 -3.980 1.00 0.00 N ATOM 748 NH2 ARG A 59 11.316 9.165 -5.071 1.00 0.00 N ATOM 0 H ARG A 59 8.358 1.895 -3.180 1.00 0.00 H new ATOM 0 HA ARG A 59 10.767 2.747 -4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.624 3.832 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.363 3.769 -2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.874 4.988 -4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.338 5.385 -3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.319 6.697 -2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.858 5.864 -2.255 1.00 0.00 H new ATOM 0 HE ARG A 59 12.534 7.287 -3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.075 7.609 -3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.908 9.044 -4.379 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.311 9.129 -5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.731 9.900 -5.468 1.00 0.00 H new ATOM 762 N GLU A 60 12.241 1.491 -2.791 1.00 0.00 N ATOM 763 CA GLU A 60 12.993 0.421 -2.146 1.00 0.00 C ATOM 764 C GLU A 60 13.443 0.837 -0.749 1.00 0.00 C ATOM 765 O GLU A 60 14.069 1.884 -0.574 1.00 0.00 O ATOM 766 CB GLU A 60 14.208 0.039 -2.994 1.00 0.00 C ATOM 767 CG GLU A 60 13.853 -0.715 -4.264 1.00 0.00 C ATOM 768 CD GLU A 60 15.026 -1.492 -4.829 1.00 0.00 C ATOM 769 OE1 GLU A 60 15.227 -2.650 -4.406 1.00 0.00 O ATOM 770 OE2 GLU A 60 15.742 -0.943 -5.692 1.00 0.00 O ATOM 0 H GLU A 60 12.799 2.307 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 60 12.337 -0.445 -2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.754 0.944 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.881 -0.574 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.033 -1.402 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.495 -0.009 -5.013 1.00 0.00 H new ATOM 777 N CYS A 61 13.120 0.013 0.241 1.00 0.00 N ATOM 778 CA CYS A 61 13.490 0.295 1.623 1.00 0.00 C ATOM 779 C CYS A 61 14.306 -0.850 2.213 1.00 0.00 C ATOM 780 O CYS A 61 14.180 -2.006 1.810 1.00 0.00 O ATOM 781 CB CYS A 61 12.238 0.534 2.469 1.00 0.00 C ATOM 782 SG CYS A 61 11.338 -0.975 2.896 1.00 0.00 S ATOM 0 H CYS A 61 12.602 -0.856 0.112 1.00 0.00 H new ATOM 0 HA CYS A 61 14.104 1.196 1.632 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.525 1.045 3.388 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.569 1.203 1.928 1.00 0.00 H new ATOM 0 HG CYS A 61 10.073 -0.705 3.021 1.00 0.00 H new ATOM 788 N PRO A 62 15.166 -0.522 3.188 1.00 0.00 N ATOM 789 CA PRO A 62 16.022 -1.509 3.853 1.00 0.00 C ATOM 790 C PRO A 62 15.227 -2.462 4.740 1.00 0.00 C ATOM 791 O PRO A 62 15.793 -3.353 5.372 1.00 0.00 O ATOM 792 CB PRO A 62 16.963 -0.650 4.702 1.00 0.00 C ATOM 793 CG PRO A 62 16.206 0.610 4.947 1.00 0.00 C ATOM 794 CD PRO A 62 15.369 0.837 3.718 1.00 0.00 C ATOM 0 HA PRO A 62 16.537 -2.149 3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.217 -1.148 5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.900 -0.454 4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.580 0.522 5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.885 1.446 5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.422 1.320 3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.878 1.477 2.998 1.00 0.00 H new ATOM 802 N GLU A 63 13.913 -2.268 4.780 1.00 0.00 N ATOM 803 CA GLU A 63 13.041 -3.111 5.590 1.00 0.00 C ATOM 804 C GLU A 63 12.113 -3.941 4.707 1.00 0.00 C ATOM 805 O GLU A 63 11.333 -4.755 5.200 1.00 0.00 O ATOM 806 CB GLU A 63 12.216 -2.254 6.552 1.00 0.00 C ATOM 807 CG GLU A 63 13.060 -1.422 7.503 1.00 0.00 C ATOM 808 CD GLU A 63 13.572 -2.224 8.683 1.00 0.00 C ATOM 809 OE1 GLU A 63 12.745 -2.636 9.524 1.00 0.00 O ATOM 810 OE2 GLU A 63 14.799 -2.441 8.767 1.00 0.00 O ATOM 0 H GLU A 63 13.429 -1.535 4.261 1.00 0.00 H new ATOM 0 HA GLU A 63 13.669 -3.790 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.574 -1.590 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.562 -2.903 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.906 -1.002 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.468 -0.583 7.868 1.00 0.00 H new ATOM 817 N GLY A 64 12.204 -3.727 3.398 1.00 0.00 N ATOM 818 CA GLY A 64 11.367 -4.462 2.466 1.00 0.00 C ATOM 819 C GLY A 64 10.902 -3.605 1.306 1.00 0.00 C ATOM 820 O GLY A 64 11.707 -3.179 0.477 1.00 0.00 O ATOM 0 H GLY A 64 12.842 -3.058 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.921 -5.318 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.499 -4.855 2.994 1.00 0.00 H new ATOM 824 N HIS A 65 9.598 -3.353 1.244 1.00 0.00 N ATOM 825 CA HIS A 65 9.026 -2.542 0.175 1.00 0.00 C ATOM 826 C HIS A 65 8.201 -1.392 0.747 1.00 0.00 C ATOM 827 O HIS A 65 7.444 -1.573 1.701 1.00 0.00 O ATOM 828 CB HIS A 65 8.155 -3.405 -0.738 1.00 0.00 C ATOM 829 CG HIS A 65 8.942 -4.282 -1.662 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.187 -3.959 -2.980 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.543 -5.477 -1.452 1.00 0.00 C ATOM 832 CE1 HIS A 65 9.902 -4.918 -3.541 1.00 0.00 C ATOM 833 NE2 HIS A 65 10.132 -5.850 -2.635 1.00 0.00 N ATOM 0 H HIS A 65 8.918 -3.699 1.921 1.00 0.00 H new ATOM 0 HA HIS A 65 9.846 -2.123 -0.408 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.506 -4.029 -0.124 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.508 -2.756 -1.329 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.557 -6.033 -0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.241 -4.936 -4.566 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.661 -6.708 -2.789 1.00 0.00 H new ATOM 842 N VAL A 66 8.354 -0.211 0.158 1.00 0.00 N ATOM 843 CA VAL A 66 7.623 0.968 0.608 1.00 0.00 C ATOM 844 C VAL A 66 6.878 1.627 -0.547 1.00 0.00 C ATOM 845 O VAL A 66 7.407 1.750 -1.652 1.00 0.00 O ATOM 846 CB VAL A 66 8.567 2.001 1.252 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.332 2.765 0.182 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.785 2.954 2.142 1.00 0.00 C ATOM 0 H VAL A 66 8.977 -0.045 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 66 6.904 0.629 1.354 1.00 0.00 H new ATOM 0 HB VAL A 66 9.289 1.470 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.994 3.490 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.923 2.067 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.628 3.286 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.467 3.677 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.039 3.479 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.287 2.390 2.930 1.00 0.00 H new ATOM 858 N VAL A 67 5.646 2.051 -0.284 1.00 0.00 N ATOM 859 CA VAL A 67 4.827 2.700 -1.301 1.00 0.00 C ATOM 860 C VAL A 67 4.149 3.948 -0.747 1.00 0.00 C ATOM 861 O VAL A 67 3.398 3.880 0.227 1.00 0.00 O ATOM 862 CB VAL A 67 3.751 1.744 -1.849 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.901 2.442 -2.900 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.394 0.489 -2.418 1.00 0.00 C ATOM 0 H VAL A 67 5.193 1.957 0.625 1.00 0.00 H new ATOM 0 HA VAL A 67 5.497 2.985 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 67 3.099 1.449 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.146 1.751 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.411 3.308 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.536 2.768 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.619 -0.175 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.071 0.762 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.954 -0.021 -1.634 1.00 0.00 H new ATOM 874 N THR A 68 4.418 5.089 -1.374 1.00 0.00 N ATOM 875 CA THR A 68 3.835 6.353 -0.944 1.00 0.00 C ATOM 876 C THR A 68 2.716 6.790 -1.882 1.00 0.00 C ATOM 877 O THR A 68 2.858 6.728 -3.104 1.00 0.00 O ATOM 878 CB THR A 68 4.896 7.467 -0.875 1.00 0.00 C ATOM 879 OG1 THR A 68 6.099 6.962 -0.284 1.00 0.00 O ATOM 880 CG2 THR A 68 4.387 8.652 -0.068 1.00 0.00 C ATOM 0 H THR A 68 5.036 5.163 -2.182 1.00 0.00 H new ATOM 0 HA THR A 68 3.426 6.189 0.053 1.00 0.00 H new ATOM 0 HB THR A 68 5.104 7.803 -1.891 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.769 7.676 -0.245 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.154 9.425 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.488 9.053 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.153 8.328 0.946 1.00 0.00 H new ATOM 888 N TYR A 69 1.604 7.232 -1.304 1.00 0.00 N ATOM 889 CA TYR A 69 0.460 7.678 -2.090 1.00 0.00 C ATOM 890 C TYR A 69 -0.168 8.926 -1.478 1.00 0.00 C ATOM 891 O TYR A 69 0.027 9.220 -0.298 1.00 0.00 O ATOM 892 CB TYR A 69 -0.583 6.564 -2.188 1.00 0.00 C ATOM 893 CG TYR A 69 -1.351 6.339 -0.905 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.441 7.135 -0.576 1.00 0.00 C ATOM 895 CD2 TYR A 69 -0.986 5.331 -0.021 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.145 6.934 0.595 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.685 5.121 1.151 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.764 5.925 1.456 1.00 0.00 C ATOM 899 OH TYR A 69 -3.462 5.721 2.624 1.00 0.00 O ATOM 0 H TYR A 69 1.471 7.291 -0.294 1.00 0.00 H new ATOM 0 HA TYR A 69 0.813 7.925 -3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.286 6.805 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.086 5.636 -2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.743 7.925 -1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.141 4.701 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.989 7.563 0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.389 4.331 1.826 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.085 4.952 3.100 1.00 0.00 H new ATOM 909 N THR A 70 -0.926 9.658 -2.289 1.00 0.00 N ATOM 910 CA THR A 70 -1.583 10.875 -1.829 1.00 0.00 C ATOM 911 C THR A 70 -3.089 10.807 -2.059 1.00 0.00 C ATOM 912 O THR A 70 -3.563 10.646 -3.184 1.00 0.00 O ATOM 913 CB THR A 70 -1.022 12.120 -2.542 1.00 0.00 C ATOM 914 OG1 THR A 70 0.373 12.263 -2.253 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.766 13.374 -2.106 1.00 0.00 C ATOM 0 H THR A 70 -1.100 9.429 -3.268 1.00 0.00 H new ATOM 0 HA THR A 70 -1.384 10.957 -0.760 1.00 0.00 H new ATOM 0 HB THR A 70 -1.159 11.989 -3.615 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.722 13.056 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.353 14.240 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.823 13.274 -2.353 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.656 13.507 -1.030 1.00 0.00 H new ATOM 923 N PRO A 71 -3.861 10.932 -0.969 1.00 0.00 N ATOM 924 CA PRO A 71 -5.325 10.889 -1.027 1.00 0.00 C ATOM 925 C PRO A 71 -5.914 12.120 -1.707 1.00 0.00 C ATOM 926 O PRO A 71 -5.319 13.197 -1.686 1.00 0.00 O ATOM 927 CB PRO A 71 -5.737 10.843 0.446 1.00 0.00 C ATOM 928 CG PRO A 71 -4.604 11.479 1.176 1.00 0.00 C ATOM 929 CD PRO A 71 -3.364 11.126 0.403 1.00 0.00 C ATOM 0 HA PRO A 71 -5.685 10.042 -1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.669 11.383 0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.898 9.818 0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.734 12.560 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.544 11.111 2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.620 11.921 0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.892 10.223 0.791 1.00 0.00 H new ATOM 937 N MET A 72 -7.087 11.953 -2.309 1.00 0.00 N ATOM 938 CA MET A 72 -7.758 13.053 -2.994 1.00 0.00 C ATOM 939 C MET A 72 -9.206 13.179 -2.530 1.00 0.00 C ATOM 940 O MET A 72 -9.928 14.078 -2.960 1.00 0.00 O ATOM 941 CB MET A 72 -7.711 12.843 -4.508 1.00 0.00 C ATOM 942 CG MET A 72 -6.368 13.189 -5.129 1.00 0.00 C ATOM 943 SD MET A 72 -6.511 13.716 -6.847 1.00 0.00 S ATOM 944 CE MET A 72 -7.480 12.374 -7.533 1.00 0.00 C ATOM 0 H MET A 72 -7.593 11.068 -2.337 1.00 0.00 H new ATOM 0 HA MET A 72 -7.234 13.976 -2.747 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.947 11.802 -4.729 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.485 13.452 -4.975 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.897 13.982 -4.548 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.712 12.320 -5.073 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.114 12.135 -8.532 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.390 11.496 -6.893 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.526 12.674 -7.592 1.00 0.00 H new ATOM 954 N ALA A 73 -9.623 12.273 -1.652 1.00 0.00 N ATOM 955 CA ALA A 73 -10.984 12.285 -1.130 1.00 0.00 C ATOM 956 C ALA A 73 -11.111 11.381 0.091 1.00 0.00 C ATOM 957 O ALA A 73 -10.486 10.324 0.178 1.00 0.00 O ATOM 958 CB ALA A 73 -11.967 11.859 -2.210 1.00 0.00 C ATOM 0 H ALA A 73 -9.038 11.521 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.220 13.303 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.979 11.872 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.903 12.548 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.724 10.851 -2.546 1.00 0.00 H new ATOM 964 N PRO A 74 -11.939 11.804 1.058 1.00 0.00 N ATOM 965 CA PRO A 74 -12.167 11.046 2.292 1.00 0.00 C ATOM 966 C PRO A 74 -12.952 9.761 2.047 1.00 0.00 C ATOM 967 O PRO A 74 -14.116 9.800 1.652 1.00 0.00 O ATOM 968 CB PRO A 74 -12.981 12.013 3.156 1.00 0.00 C ATOM 969 CG PRO A 74 -13.661 12.911 2.182 1.00 0.00 C ATOM 970 CD PRO A 74 -12.716 13.054 1.021 1.00 0.00 C ATOM 0 HA PRO A 74 -11.232 10.725 2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.703 11.480 3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.338 12.577 3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.613 12.489 1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.878 13.881 2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.252 13.166 0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.075 13.929 1.130 1.00 0.00 H new ATOM 978 N GLY A 75 -12.306 8.624 2.284 1.00 0.00 N ATOM 979 CA GLY A 75 -12.959 7.344 2.084 1.00 0.00 C ATOM 980 C GLY A 75 -12.097 6.178 2.525 1.00 0.00 C ATOM 981 O GLY A 75 -11.038 6.371 3.120 1.00 0.00 O ATOM 0 H GLY A 75 -11.342 8.566 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.897 7.328 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.209 7.228 1.029 1.00 0.00 H new ATOM 985 N ASN A 76 -12.553 4.964 2.234 1.00 0.00 N ATOM 986 CA ASN A 76 -11.816 3.761 2.607 1.00 0.00 C ATOM 987 C ASN A 76 -11.090 3.172 1.402 1.00 0.00 C ATOM 988 O ASN A 76 -11.704 2.539 0.543 1.00 0.00 O ATOM 989 CB ASN A 76 -12.766 2.721 3.204 1.00 0.00 C ATOM 990 CG ASN A 76 -13.981 2.478 2.328 1.00 0.00 C ATOM 991 OD1 ASN A 76 -13.948 1.652 1.416 1.00 0.00 O ATOM 992 ND2 ASN A 76 -15.061 3.200 2.603 1.00 0.00 N ATOM 0 H ASN A 76 -13.428 4.787 1.742 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.074 4.037 3.356 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -12.230 1.782 3.346 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.092 3.054 4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.909 3.081 2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.043 3.873 3.369 1.00 0.00 H new ATOM 999 N TYR A 77 -9.780 3.384 1.346 1.00 0.00 N ATOM 1000 CA TYR A 77 -8.970 2.875 0.245 1.00 0.00 C ATOM 1001 C TYR A 77 -8.503 1.450 0.525 1.00 0.00 C ATOM 1002 O TYR A 77 -7.720 1.210 1.446 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.762 3.783 0.012 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.128 5.163 -0.488 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.403 6.195 0.402 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.201 5.434 -1.848 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -8.739 7.456 -0.050 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.535 6.693 -2.309 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.803 7.700 -1.406 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.138 8.955 -1.861 1.00 0.00 O ATOM 0 H TYR A 77 -9.256 3.905 2.050 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.588 2.865 -0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.206 3.879 0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.096 3.309 -0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.353 6.007 1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.993 4.647 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.950 8.247 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.586 6.887 -3.370 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.612 9.443 -1.155 1.00 0.00 H new ATOM 1020 N LEU A 78 -8.988 0.508 -0.275 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.620 -0.895 -0.116 1.00 0.00 C ATOM 1022 C LEU A 78 -7.193 -1.142 -0.594 1.00 0.00 C ATOM 1023 O LEU A 78 -6.899 -1.028 -1.785 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.592 -1.788 -0.889 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.731 -3.225 -0.383 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.361 -3.845 -0.153 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.557 -3.262 0.894 1.00 0.00 C ATOM 0 H LEU A 78 -9.637 0.689 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.675 -1.142 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.577 -1.321 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.274 -1.820 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.248 -3.810 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.480 -4.867 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.803 -3.852 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.817 -3.260 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.646 -4.292 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.068 -2.662 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.550 -2.859 0.697 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.312 -1.482 0.340 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.917 -1.749 0.012 1.00 0.00 C ATOM 1041 C ILE A 79 -4.651 -3.248 -0.081 1.00 0.00 C ATOM 1042 O ILE A 79 -4.538 -3.933 0.935 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.966 -1.134 1.057 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.204 0.373 1.170 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.518 -1.422 0.688 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.764 0.956 2.495 1.00 0.00 C ATOM 0 H ILE A 79 -6.539 -1.579 1.330 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.727 -1.288 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.171 -1.588 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.671 0.878 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.265 0.577 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.858 -0.982 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.359 -2.500 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.299 -0.991 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.963 2.028 2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.316 0.477 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.696 0.784 2.632 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.549 -3.749 -1.308 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.292 -5.166 -1.534 1.00 0.00 C ATOM 1060 C ALA A 80 -2.797 -5.440 -1.660 1.00 0.00 C ATOM 1061 O ALA A 80 -2.139 -4.935 -2.570 1.00 0.00 O ATOM 1062 CB ALA A 80 -5.024 -5.643 -2.780 1.00 0.00 C ATOM 0 H ALA A 80 -4.640 -3.195 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.665 -5.719 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.823 -6.703 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.096 -5.492 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.678 -5.076 -3.645 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.268 -6.241 -0.742 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.850 -6.580 -0.751 1.00 0.00 C ATOM 1070 C ILE A 81 -0.648 -8.091 -0.816 1.00 0.00 C ATOM 1071 O ILE A 81 -1.076 -8.824 0.076 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.131 -6.030 0.495 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.300 -4.512 0.578 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.343 -6.404 0.463 1.00 0.00 C ATOM 1075 CD1 ILE A 81 -0.053 -3.952 1.962 1.00 0.00 C ATOM 0 H ILE A 81 -2.799 -6.667 0.017 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.420 -6.119 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.579 -6.476 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.386 -4.039 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.310 -4.249 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.838 -6.008 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.443 -7.489 0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.806 -5.983 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.190 -2.871 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.756 -4.397 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.966 -4.184 2.272 1.00 0.00 H new ATOM 1087 N LYS A 82 0.010 -8.549 -1.875 1.00 0.00 N ATOM 1088 CA LYS A 82 0.273 -9.972 -2.056 1.00 0.00 C ATOM 1089 C LYS A 82 1.772 -10.241 -2.143 1.00 0.00 C ATOM 1090 O LYS A 82 2.564 -9.327 -2.375 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.421 -10.483 -3.320 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.934 -10.347 -3.281 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.607 -11.329 -4.224 1.00 0.00 C ATOM 1094 CE LYS A 82 -4.000 -10.860 -4.616 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.501 -11.564 -5.829 1.00 0.00 N ATOM 0 H LYS A 82 0.371 -7.955 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.124 -10.502 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.038 -9.936 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.163 -11.532 -3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.289 -10.516 -2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.216 -9.330 -3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.998 -11.451 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.672 -12.307 -3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.687 -11.030 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.983 -9.786 -4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.504 -11.332 -5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.951 -11.261 -6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.398 -12.591 -5.701 1.00 0.00 H new ATOM 1109 N TYR A 83 2.155 -11.499 -1.956 1.00 0.00 N ATOM 1110 CA TYR A 83 3.559 -11.887 -2.012 1.00 0.00 C ATOM 1111 C TYR A 83 3.700 -13.384 -2.273 1.00 0.00 C ATOM 1112 O TYR A 83 2.998 -14.199 -1.676 1.00 0.00 O ATOM 1113 CB TYR A 83 4.265 -11.517 -0.707 1.00 0.00 C ATOM 1114 CG TYR A 83 5.759 -11.744 -0.742 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.593 -10.904 -1.470 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.338 -12.797 -0.045 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.958 -11.108 -1.505 1.00 0.00 C ATOM 1118 CE2 TYR A 83 7.703 -13.008 -0.073 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.509 -12.161 -0.805 1.00 0.00 C ATOM 1120 OH TYR A 83 9.869 -12.366 -0.836 1.00 0.00 O ATOM 0 H TYR A 83 1.512 -12.268 -1.764 1.00 0.00 H new ATOM 0 HA TYR A 83 4.026 -11.347 -2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.070 -10.468 -0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 83 3.836 -12.102 0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.166 -10.077 -2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.710 -13.462 0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.591 -10.446 -2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.137 -13.831 0.475 1.00 0.00 H new ATOM 0 HH TYR A 83 10.094 -13.148 -0.290 1.00 0.00 H new ATOM 1130 N GLY A 84 4.615 -13.738 -3.171 1.00 0.00 N ATOM 1131 CA GLY A 84 4.833 -15.135 -3.497 1.00 0.00 C ATOM 1132 C GLY A 84 3.547 -15.937 -3.502 1.00 0.00 C ATOM 1133 O GLY A 84 3.441 -16.959 -2.826 1.00 0.00 O ATOM 0 H GLY A 84 5.209 -13.082 -3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.306 -15.207 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.526 -15.569 -2.776 1.00 0.00 H new ATOM 1137 N GLY A 85 2.564 -15.472 -4.267 1.00 0.00 N ATOM 1138 CA GLY A 85 1.291 -16.164 -4.342 1.00 0.00 C ATOM 1139 C GLY A 85 0.136 -15.224 -4.631 1.00 0.00 C ATOM 1140 O GLY A 85 0.122 -14.072 -4.197 1.00 0.00 O ATOM 0 H GLY A 85 2.627 -14.628 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.340 -16.925 -5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.107 -16.683 -3.401 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.860 -15.718 -5.381 1.00 0.00 N ATOM 1145 CA PRO A 86 -2.042 -14.931 -5.745 1.00 0.00 C ATOM 1146 C PRO A 86 -2.947 -14.658 -4.549 1.00 0.00 C ATOM 1147 O PRO A 86 -3.901 -13.887 -4.646 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.758 -15.817 -6.767 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.320 -17.203 -6.439 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.909 -17.083 -5.933 1.00 0.00 C ATOM 0 HA PRO A 86 -1.774 -13.947 -6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.840 -15.715 -6.690 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.484 -15.546 -7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.968 -17.649 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.366 -17.845 -7.319 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.690 -17.832 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.182 -17.219 -6.734 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.641 -15.294 -3.424 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.428 -15.119 -2.209 1.00 0.00 C ATOM 1160 C GLN A 87 -2.900 -13.952 -1.382 1.00 0.00 C ATOM 1161 O GLN A 87 -1.710 -13.640 -1.418 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.409 -16.401 -1.374 1.00 0.00 C ATOM 1163 CG GLN A 87 -2.051 -16.709 -0.764 1.00 0.00 C ATOM 1164 CD GLN A 87 -2.158 -17.469 0.544 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -2.156 -16.874 1.622 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -2.253 -18.790 0.455 1.00 0.00 N ATOM 0 H GLN A 87 -1.854 -15.935 -3.328 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.455 -14.899 -2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.146 -16.316 -0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.715 -17.238 -2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.463 -17.293 -1.472 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.513 -15.776 -0.595 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.251 -19.241 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.328 -19.354 1.301 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.794 -13.309 -0.637 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.418 -12.175 0.200 1.00 0.00 C ATOM 1177 C HIS A 88 -2.498 -12.618 1.334 1.00 0.00 C ATOM 1178 O HIS A 88 -2.543 -13.769 1.768 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.666 -11.502 0.774 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.439 -10.712 -0.237 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.598 -9.345 -0.162 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -6.097 -11.106 -1.352 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.322 -8.931 -1.187 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.638 -9.980 -1.924 1.00 0.00 N ATOM 0 H HIS A 88 -4.783 -13.554 -0.596 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.881 -11.459 -0.422 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.316 -12.265 1.201 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.370 -10.842 1.590 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.181 -12.117 -1.723 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.607 -7.909 -1.388 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.194 -9.958 -2.779 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.665 -11.698 1.807 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.735 -11.994 2.890 1.00 0.00 C ATOM 1195 C ILE A 89 -1.405 -11.831 4.250 1.00 0.00 C ATOM 1196 O ILE A 89 -2.422 -11.149 4.375 1.00 0.00 O ATOM 1197 CB ILE A 89 0.507 -11.085 2.830 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.103 -9.620 3.010 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.242 -11.279 1.512 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.188 -8.766 3.627 1.00 0.00 C ATOM 0 H ILE A 89 -1.615 -10.741 1.458 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.423 -13.031 2.763 1.00 0.00 H new ATOM 0 HB ILE A 89 1.180 -11.359 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.168 -9.204 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.787 -9.571 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.117 -10.630 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.558 -12.318 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.578 -11.028 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.832 -7.740 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.443 -9.157 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.072 -8.784 2.990 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.826 -12.461 5.268 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.365 -12.384 6.620 1.00 0.00 C ATOM 1214 C VAL A 90 -1.635 -10.938 7.023 1.00 0.00 C ATOM 1215 O VAL A 90 -0.733 -10.102 7.016 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.406 -13.019 7.644 1.00 0.00 C ATOM 1217 CG1 VAL A 90 1.015 -12.523 7.424 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -0.869 -12.724 9.062 1.00 0.00 C ATOM 0 H VAL A 90 0.016 -13.030 5.181 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.303 -12.939 6.618 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.414 -14.100 7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.678 -12.982 8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.343 -12.791 6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.044 -11.439 7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.180 -13.180 9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.892 -11.646 9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.868 -13.134 9.211 1.00 0.00 H new ATOM 1228 N GLY A 91 -2.885 -10.651 7.374 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.252 -9.306 7.775 1.00 0.00 C ATOM 1230 C GLY A 91 -4.049 -8.580 6.709 1.00 0.00 C ATOM 1231 O GLY A 91 -4.929 -7.777 7.021 1.00 0.00 O ATOM 0 H GLY A 91 -3.650 -11.326 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.837 -9.351 8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.349 -8.738 7.999 1.00 0.00 H new ATOM 1235 N SER A 92 -3.740 -8.861 5.448 1.00 0.00 N ATOM 1236 CA SER A 92 -4.430 -8.224 4.332 1.00 0.00 C ATOM 1237 C SER A 92 -5.774 -8.897 4.069 1.00 0.00 C ATOM 1238 O SER A 92 -6.020 -10.031 4.481 1.00 0.00 O ATOM 1239 CB SER A 92 -3.564 -8.279 3.071 1.00 0.00 C ATOM 1240 OG SER A 92 -2.743 -7.129 2.967 1.00 0.00 O ATOM 0 H SER A 92 -3.017 -9.525 5.173 1.00 0.00 H new ATOM 0 HA SER A 92 -4.610 -7.182 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.942 -9.174 3.092 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.202 -8.355 2.191 1.00 0.00 H new ATOM 0 HG SER A 92 -2.779 -6.624 3.806 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.665 -8.183 3.366 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.383 -6.832 2.871 1.00 0.00 C ATOM 1248 C PRO A 93 -6.302 -5.807 3.997 1.00 0.00 C ATOM 1249 O PRO A 93 -6.633 -6.104 5.145 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.575 -6.532 1.959 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.676 -7.391 2.480 1.00 0.00 C ATOM 1252 CD PRO A 93 -8.017 -8.638 3.001 1.00 0.00 C ATOM 0 HA PRO A 93 -5.418 -6.776 2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.845 -5.477 1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.347 -6.767 0.919 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.228 -6.882 3.270 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.392 -7.628 1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.550 -9.045 3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.986 -9.422 2.245 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.861 -4.599 3.661 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.737 -3.530 4.645 1.00 0.00 C ATOM 1262 C PHE A 94 -6.606 -2.335 4.262 1.00 0.00 C ATOM 1263 O PHE A 94 -6.408 -1.719 3.215 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.276 -3.093 4.772 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.398 -4.119 5.429 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.395 -4.268 6.807 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.577 -4.936 4.669 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.588 -5.211 7.414 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.767 -5.881 5.270 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.774 -6.020 6.644 1.00 0.00 C ATOM 0 H PHE A 94 -5.584 -4.336 2.715 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.080 -3.913 5.606 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.883 -2.873 3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.231 -2.167 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.031 -3.640 7.413 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.570 -4.833 3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.593 -5.316 8.489 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.130 -6.510 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.144 -6.760 7.116 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.570 -2.014 5.118 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.470 -0.893 4.873 1.00 0.00 C ATOM 1282 C LYS A 95 -7.860 0.413 5.371 1.00 0.00 C ATOM 1283 O LYS A 95 -7.457 0.520 6.529 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.816 -1.134 5.559 1.00 0.00 C ATOM 1285 CG LYS A 95 -10.970 -0.388 4.913 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.295 -1.090 5.157 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.535 -2.196 4.140 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.968 -2.598 4.085 1.00 0.00 N ATOM 0 H LYS A 95 -7.748 -2.515 5.989 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.627 -0.813 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.034 -2.202 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.740 -0.834 6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.016 0.626 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.794 -0.303 3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.306 -1.510 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.107 -0.365 5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.214 -1.859 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.924 -3.062 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.090 -3.353 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.268 -2.944 5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.549 -1.778 3.817 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.797 1.405 4.489 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.240 2.706 4.840 1.00 0.00 C ATOM 1304 C ALA A 96 -8.316 3.786 4.822 1.00 0.00 C ATOM 1305 O ALA A 96 -8.796 4.181 3.760 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.108 3.069 3.890 1.00 0.00 C ATOM 0 H ALA A 96 -8.125 1.333 3.526 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.843 2.643 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.701 4.043 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.322 2.316 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.488 3.109 2.869 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.690 4.261 6.005 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.709 5.297 6.127 1.00 0.00 C ATOM 1314 C LYS A 97 -9.070 6.671 6.299 1.00 0.00 C ATOM 1315 O LYS A 97 -8.439 6.950 7.319 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.630 4.999 7.312 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.770 5.992 7.461 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.482 5.828 8.794 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.917 6.327 8.724 1.00 0.00 C ATOM 1320 NZ LYS A 97 -14.466 6.627 10.076 1.00 0.00 N ATOM 0 H LYS A 97 -8.302 3.945 6.894 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.298 5.302 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.044 3.997 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.040 4.996 8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.383 7.007 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.482 5.854 6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.475 4.778 9.085 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.942 6.376 9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.960 7.225 8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.539 5.576 8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.446 6.964 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.449 5.765 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.887 7.362 10.530 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.238 7.527 5.296 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.679 8.874 5.339 1.00 0.00 C ATOM 1336 C VAL A 98 -9.728 9.890 5.776 1.00 0.00 C ATOM 1337 O VAL A 98 -10.905 9.773 5.431 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.117 9.291 3.967 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.545 10.699 4.030 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.062 8.299 3.500 1.00 0.00 C ATOM 0 H VAL A 98 -9.756 7.312 4.444 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.868 8.858 6.067 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.932 9.288 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.153 10.976 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.330 11.398 4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.742 10.733 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.676 8.609 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.246 8.268 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.507 7.308 3.414 1.00 0.00 H new ATOM 1350 N THR A 99 -9.294 10.890 6.538 1.00 0.00 N ATOM 1351 CA THR A 99 -10.195 11.927 7.024 1.00 0.00 C ATOM 1352 C THR A 99 -9.851 13.282 6.417 1.00 0.00 C ATOM 1353 O THR A 99 -8.705 13.535 6.047 1.00 0.00 O ATOM 1354 CB THR A 99 -10.148 12.038 8.559 1.00 0.00 C ATOM 1355 OG1 THR A 99 -8.883 12.566 8.974 1.00 0.00 O ATOM 1356 CG2 THR A 99 -10.373 10.680 9.207 1.00 0.00 C ATOM 0 H THR A 99 -8.324 11.003 6.832 1.00 0.00 H new ATOM 0 HA THR A 99 -11.201 11.640 6.719 1.00 0.00 H new ATOM 0 HB THR A 99 -10.944 12.711 8.877 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.164 11.981 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.335 10.784 10.291 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.349 10.294 8.913 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.596 9.988 8.881 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.851 14.153 6.317 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.633 15.472 5.755 1.00 0.00 C ATOM 1366 C GLY A 100 -11.501 15.736 4.541 1.00 0.00 C ATOM 1367 O GLY A 100 -12.157 14.837 4.013 1.00 0.00 O ATOM 0 H GLY A 100 -11.809 13.968 6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.838 16.226 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.584 15.576 5.477 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.514 16.995 4.079 1.00 0.00 N ATOM 1372 CA PRO A 101 -12.305 17.404 2.915 1.00 0.00 C ATOM 1373 C PRO A 101 -11.760 16.829 1.613 1.00 0.00 C ATOM 1374 O PRO A 101 -10.609 16.395 1.549 1.00 0.00 O ATOM 1375 CB PRO A 101 -12.181 18.929 2.919 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.900 19.203 3.629 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.757 18.117 4.659 1.00 0.00 C ATOM 0 HA PRO A 101 -13.333 17.046 2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.164 19.328 1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.024 19.393 3.430 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.060 19.195 2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.917 20.187 4.099 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.712 17.854 4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.165 18.421 5.623 1.00 0.00 H new