USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 801 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 16 TYR OH : rot 60:sc= -0.216 USER MOD Set 1.2: A 20 MET CE :methyl 171:sc=-0.00383 (180deg=-0.143) USER MOD Set 2.1: A 8 THR OG1 : rot 128:sc= 0.392 USER MOD Set 2.2: A 11 GLN : amide:sc= 0 X(o=0.39,f=0.39) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -1.97 K(o=-2,f=-0.88) USER MOD Single : A 29 ASN : amide:sc= -0.111 K(o=-0.11,f=-6.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0505 USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= -0.824 (180deg=-3.45!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0.946 (180deg=0.946) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0779 USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.0564 (180deg=-0.321) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.1) USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.128) USER MOD Single : A 64 MET CE :methyl -160:sc= -0.178 (180deg=-0.724) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 73 ASN : amide:sc= -0.0223 K(o=-0.022,f=-0.83) USER MOD Single : A 75 THR OG1 : rot -140:sc= 0.599 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 149:sc= -0.177 (180deg=-1.74) USER MOD Single : A 84 ASN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 85 TYR OH : rot 30:sc= 0.26 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 1.08 K(o=1.1,f=-4!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.77 K(o=-1.8,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 1.867 -13.144 9.207 1.00 71.42 N ATOM 92 CA TYR A 7 0.900 -12.327 8.491 1.00 40.15 C ATOM 93 C TYR A 7 1.166 -12.413 6.994 1.00 73.31 C ATOM 94 O TYR A 7 2.168 -12.987 6.568 1.00 14.00 O ATOM 95 CB TYR A 7 1.002 -10.851 8.918 1.00 43.14 C ATOM 96 CG TYR A 7 0.856 -10.588 10.405 1.00 20.44 C ATOM 97 CD1 TYR A 7 1.945 -10.713 11.263 1.00 34.43 C ATOM 98 CD2 TYR A 7 -0.361 -10.195 10.948 1.00 23.15 C ATOM 99 CE1 TYR A 7 1.824 -10.458 12.614 1.00 0.20 C ATOM 100 CE2 TYR A 7 -0.489 -9.939 12.303 1.00 54.33 C ATOM 101 CZ TYR A 7 0.607 -10.073 13.131 1.00 43.44 C ATOM 102 OH TYR A 7 0.491 -9.812 14.477 1.00 32.53 O ATOM 0 HA TYR A 7 -0.096 -12.701 8.726 1.00 40.15 H new ATOM 0 HB2 TYR A 7 1.967 -10.463 8.591 1.00 43.14 H new ATOM 0 HB3 TYR A 7 0.235 -10.285 8.390 1.00 43.14 H new ATOM 0 HD1 TYR A 7 2.902 -11.015 10.864 1.00 34.43 H new ATOM 0 HD2 TYR A 7 -1.221 -10.087 10.303 1.00 23.15 H new ATOM 0 HE1 TYR A 7 2.681 -10.560 13.264 1.00 0.20 H new ATOM 0 HE2 TYR A 7 -1.442 -9.636 12.710 1.00 54.33 H new ATOM 0 HH TYR A 7 -0.431 -9.551 14.681 1.00 32.53 H new ATOM 112 N THR A 8 0.270 -11.851 6.203 1.00 0.13 N ATOM 113 CA THR A 8 0.534 -11.630 4.794 1.00 62.24 C ATOM 114 C THR A 8 0.522 -10.131 4.533 1.00 64.12 C ATOM 115 O THR A 8 0.358 -9.345 5.470 1.00 44.44 O ATOM 116 CB THR A 8 -0.501 -12.317 3.881 1.00 4.31 C ATOM 117 OG1 THR A 8 -1.806 -11.778 4.125 1.00 31.41 O ATOM 118 CG2 THR A 8 -0.518 -13.823 4.103 1.00 63.40 C ATOM 0 H THR A 8 -0.650 -11.539 6.514 1.00 0.13 H new ATOM 0 HA THR A 8 1.505 -12.066 4.560 1.00 62.24 H new ATOM 0 HB THR A 8 -0.216 -12.126 2.846 1.00 4.31 H new ATOM 0 HG1 THR A 8 -2.204 -11.489 3.277 1.00 31.41 H new ATOM 0 HG21 THR A 8 -1.258 -14.279 3.445 1.00 63.40 H new ATOM 0 HG22 THR A 8 0.467 -14.234 3.882 1.00 63.40 H new ATOM 0 HG23 THR A 8 -0.776 -14.035 5.141 1.00 63.40 H new ATOM 126 N VAL A 9 0.683 -9.728 3.279 1.00 52.31 N ATOM 127 CA VAL A 9 0.647 -8.312 2.932 1.00 20.22 C ATOM 128 C VAL A 9 -0.735 -7.717 3.228 1.00 14.54 C ATOM 129 O VAL A 9 -0.852 -6.549 3.603 1.00 11.54 O ATOM 130 CB VAL A 9 1.038 -8.085 1.453 1.00 35.35 C ATOM 131 CG1 VAL A 9 0.120 -8.856 0.520 1.00 42.25 C ATOM 132 CG2 VAL A 9 1.045 -6.600 1.108 1.00 43.11 C ATOM 0 H VAL A 9 0.839 -10.356 2.490 1.00 52.31 H new ATOM 0 HA VAL A 9 1.382 -7.798 3.551 1.00 20.22 H new ATOM 0 HB VAL A 9 2.050 -8.465 1.315 1.00 35.35 H new ATOM 0 HG11 VAL A 9 0.418 -8.678 -0.513 1.00 42.25 H new ATOM 0 HG12 VAL A 9 0.190 -9.921 0.739 1.00 42.25 H new ATOM 0 HG13 VAL A 9 -0.908 -8.523 0.664 1.00 42.25 H new ATOM 0 HG21 VAL A 9 1.323 -6.471 0.062 1.00 43.11 H new ATOM 0 HG22 VAL A 9 0.051 -6.183 1.273 1.00 43.11 H new ATOM 0 HG23 VAL A 9 1.765 -6.083 1.742 1.00 43.11 H new ATOM 142 N ALA A 10 -1.775 -8.539 3.105 1.00 42.51 N ATOM 143 CA ALA A 10 -3.132 -8.093 3.394 1.00 11.44 C ATOM 144 C ALA A 10 -3.331 -7.893 4.891 1.00 3.02 C ATOM 145 O ALA A 10 -3.777 -6.833 5.325 1.00 65.32 O ATOM 146 CB ALA A 10 -4.151 -9.084 2.858 1.00 31.33 C ATOM 0 H ALA A 10 -1.703 -9.512 2.809 1.00 42.51 H new ATOM 0 HA ALA A 10 -3.282 -7.136 2.895 1.00 11.44 H new ATOM 0 HB1 ALA A 10 -5.157 -8.731 3.085 1.00 31.33 H new ATOM 0 HB2 ALA A 10 -4.035 -9.178 1.778 1.00 31.33 H new ATOM 0 HB3 ALA A 10 -3.994 -10.056 3.325 1.00 31.33 H new ATOM 152 N GLN A 11 -2.981 -8.909 5.680 1.00 31.41 N ATOM 153 CA GLN A 11 -3.144 -8.834 7.129 1.00 62.24 C ATOM 154 C GLN A 11 -2.306 -7.706 7.722 1.00 30.34 C ATOM 155 O GLN A 11 -2.697 -7.103 8.719 1.00 14.32 O ATOM 156 CB GLN A 11 -2.789 -10.162 7.810 1.00 10.01 C ATOM 157 CG GLN A 11 -3.894 -11.209 7.746 1.00 4.43 C ATOM 158 CD GLN A 11 -3.911 -11.980 6.442 1.00 0.44 C ATOM 159 OE1 GLN A 11 -4.563 -11.583 5.474 1.00 14.30 O ATOM 160 NE2 GLN A 11 -3.200 -13.096 6.415 1.00 63.12 N ATOM 0 H GLN A 11 -2.586 -9.787 5.342 1.00 31.41 H new ATOM 0 HA GLN A 11 -4.197 -8.625 7.317 1.00 62.24 H new ATOM 0 HB2 GLN A 11 -1.891 -10.568 7.344 1.00 10.01 H new ATOM 0 HB3 GLN A 11 -2.547 -9.969 8.855 1.00 10.01 H new ATOM 0 HG2 GLN A 11 -3.771 -11.909 8.573 1.00 4.43 H new ATOM 0 HG3 GLN A 11 -4.858 -10.719 7.884 1.00 4.43 H new ATOM 0 HE21 GLN A 11 -2.675 -13.386 7.240 1.00 63.12 H new ATOM 0 HE22 GLN A 11 -3.177 -13.666 5.569 1.00 63.12 H new ATOM 169 N LEU A 12 -1.162 -7.426 7.105 1.00 5.21 N ATOM 170 CA LEU A 12 -0.293 -6.338 7.546 1.00 23.04 C ATOM 171 C LEU A 12 -1.027 -5.000 7.464 1.00 64.23 C ATOM 172 O LEU A 12 -0.997 -4.202 8.403 1.00 20.32 O ATOM 173 CB LEU A 12 0.978 -6.291 6.692 1.00 74.51 C ATOM 174 CG LEU A 12 1.972 -5.182 7.055 1.00 23.54 C ATOM 175 CD1 LEU A 12 2.493 -5.370 8.472 1.00 20.53 C ATOM 176 CD2 LEU A 12 3.122 -5.154 6.058 1.00 42.10 C ATOM 0 H LEU A 12 -0.814 -7.939 6.295 1.00 5.21 H new ATOM 0 HA LEU A 12 -0.014 -6.521 8.584 1.00 23.04 H new ATOM 0 HB2 LEU A 12 1.486 -7.252 6.773 1.00 74.51 H new ATOM 0 HB3 LEU A 12 0.690 -6.170 5.648 1.00 74.51 H new ATOM 0 HG LEU A 12 1.453 -4.225 7.009 1.00 23.54 H new ATOM 0 HD11 LEU A 12 3.197 -4.572 8.710 1.00 20.53 H new ATOM 0 HD12 LEU A 12 1.659 -5.339 9.173 1.00 20.53 H new ATOM 0 HD13 LEU A 12 2.997 -6.334 8.550 1.00 20.53 H new ATOM 0 HD21 LEU A 12 3.819 -4.361 6.329 1.00 42.10 H new ATOM 0 HD22 LEU A 12 3.639 -6.113 6.072 1.00 42.10 H new ATOM 0 HD23 LEU A 12 2.732 -4.967 5.058 1.00 42.10 H new ATOM 188 N ALA A 13 -1.703 -4.776 6.343 1.00 41.12 N ATOM 189 CA ALA A 13 -2.436 -3.538 6.120 1.00 63.41 C ATOM 190 C ALA A 13 -3.610 -3.408 7.084 1.00 21.32 C ATOM 191 O ALA A 13 -3.823 -2.352 7.677 1.00 10.45 O ATOM 192 CB ALA A 13 -2.928 -3.468 4.685 1.00 1.24 C ATOM 0 H ALA A 13 -1.758 -5.441 5.571 1.00 41.12 H new ATOM 0 HA ALA A 13 -1.754 -2.708 6.304 1.00 63.41 H new ATOM 0 HB1 ALA A 13 -3.474 -2.537 4.533 1.00 1.24 H new ATOM 0 HB2 ALA A 13 -2.076 -3.504 4.006 1.00 1.24 H new ATOM 0 HB3 ALA A 13 -3.587 -4.313 4.485 1.00 1.24 H new ATOM 198 N ASP A 14 -4.363 -4.489 7.243 1.00 74.33 N ATOM 199 CA ASP A 14 -5.538 -4.486 8.110 1.00 64.35 C ATOM 200 C ASP A 14 -5.145 -4.421 9.586 1.00 4.53 C ATOM 201 O ASP A 14 -5.911 -3.936 10.419 1.00 34.31 O ATOM 202 CB ASP A 14 -6.411 -5.714 7.836 1.00 20.31 C ATOM 203 CG ASP A 14 -7.177 -5.598 6.530 1.00 15.11 C ATOM 204 OD1 ASP A 14 -6.560 -5.734 5.453 1.00 12.13 O ATOM 205 OD2 ASP A 14 -8.410 -5.383 6.574 1.00 60.23 O ATOM 0 H ASP A 14 -4.182 -5.381 6.783 1.00 74.33 H new ATOM 0 HA ASP A 14 -6.116 -3.590 7.883 1.00 64.35 H new ATOM 0 HB2 ASP A 14 -5.783 -6.604 7.808 1.00 20.31 H new ATOM 0 HB3 ASP A 14 -7.116 -5.846 8.657 1.00 20.31 H new ATOM 210 N GLU A 15 -3.953 -4.910 9.913 1.00 40.34 N ATOM 211 CA GLU A 15 -3.430 -4.786 11.269 1.00 11.14 C ATOM 212 C GLU A 15 -3.037 -3.335 11.529 1.00 44.25 C ATOM 213 O GLU A 15 -3.304 -2.780 12.597 1.00 11.13 O ATOM 214 CB GLU A 15 -2.223 -5.710 11.467 1.00 14.23 C ATOM 215 CG GLU A 15 -1.690 -5.736 12.891 1.00 15.23 C ATOM 216 CD GLU A 15 -2.705 -6.253 13.890 1.00 53.10 C ATOM 217 OE1 GLU A 15 -2.834 -7.488 14.030 1.00 62.13 O ATOM 218 OE2 GLU A 15 -3.379 -5.430 14.543 1.00 33.45 O ATOM 0 H GLU A 15 -3.334 -5.393 9.262 1.00 40.34 H new ATOM 0 HA GLU A 15 -4.203 -5.082 11.978 1.00 11.14 H new ATOM 0 HB2 GLU A 15 -2.502 -6.723 11.176 1.00 14.23 H new ATOM 0 HB3 GLU A 15 -1.423 -5.395 10.797 1.00 14.23 H new ATOM 0 HG2 GLU A 15 -0.799 -6.362 12.929 1.00 15.23 H new ATOM 0 HG3 GLU A 15 -1.385 -4.730 13.178 1.00 15.23 H new ATOM 225 N TYR A 16 -2.418 -2.724 10.529 1.00 24.41 N ATOM 226 CA TYR A 16 -2.051 -1.315 10.588 1.00 44.43 C ATOM 227 C TYR A 16 -3.309 -0.450 10.673 1.00 64.41 C ATOM 228 O TYR A 16 -3.328 0.574 11.360 1.00 63.15 O ATOM 229 CB TYR A 16 -1.223 -0.946 9.351 1.00 1.34 C ATOM 230 CG TYR A 16 -0.657 0.457 9.368 1.00 21.51 C ATOM 231 CD1 TYR A 16 0.443 0.773 10.153 1.00 31.23 C ATOM 232 CD2 TYR A 16 -1.215 1.461 8.586 1.00 0.23 C ATOM 233 CE1 TYR A 16 0.972 2.050 10.162 1.00 15.33 C ATOM 234 CE2 TYR A 16 -0.694 2.740 8.590 1.00 15.11 C ATOM 235 CZ TYR A 16 0.399 3.029 9.379 1.00 61.51 C ATOM 236 OH TYR A 16 0.920 4.302 9.388 1.00 74.21 O ATOM 0 H TYR A 16 -2.157 -3.187 9.658 1.00 24.41 H new ATOM 0 HA TYR A 16 -1.449 -1.134 11.479 1.00 44.43 H new ATOM 0 HB2 TYR A 16 -0.400 -1.655 9.256 1.00 1.34 H new ATOM 0 HB3 TYR A 16 -1.847 -1.061 8.465 1.00 1.34 H new ATOM 0 HD1 TYR A 16 0.894 0.008 10.768 1.00 31.23 H new ATOM 0 HD2 TYR A 16 -2.070 1.238 7.965 1.00 0.23 H new ATOM 0 HE1 TYR A 16 1.829 2.279 10.778 1.00 15.33 H new ATOM 0 HE2 TYR A 16 -1.141 3.510 7.978 1.00 15.11 H new ATOM 0 HH TYR A 16 1.854 4.275 9.093 1.00 74.21 H new ATOM 246 N PHE A 17 -4.357 -0.886 9.975 1.00 30.02 N ATOM 247 CA PHE A 17 -5.660 -0.222 10.001 1.00 13.13 C ATOM 248 C PHE A 17 -6.183 -0.098 11.429 1.00 4.32 C ATOM 249 O PHE A 17 -6.548 0.987 11.878 1.00 13.42 O ATOM 250 CB PHE A 17 -6.656 -1.007 9.136 1.00 30.30 C ATOM 251 CG PHE A 17 -8.068 -0.487 9.183 1.00 2.44 C ATOM 252 CD1 PHE A 17 -8.477 0.521 8.325 1.00 41.53 C ATOM 253 CD2 PHE A 17 -8.986 -1.007 10.084 1.00 30.21 C ATOM 254 CE1 PHE A 17 -9.772 1.001 8.366 1.00 52.12 C ATOM 255 CE2 PHE A 17 -10.281 -0.530 10.130 1.00 70.51 C ATOM 256 CZ PHE A 17 -10.674 0.475 9.269 1.00 22.50 C ATOM 0 H PHE A 17 -4.327 -1.710 9.375 1.00 30.02 H new ATOM 0 HA PHE A 17 -5.545 0.784 9.597 1.00 13.13 H new ATOM 0 HB2 PHE A 17 -6.311 -0.992 8.102 1.00 30.30 H new ATOM 0 HB3 PHE A 17 -6.655 -2.049 9.457 1.00 30.30 H new ATOM 0 HD1 PHE A 17 -7.776 0.936 7.616 1.00 41.53 H new ATOM 0 HD2 PHE A 17 -8.684 -1.795 10.758 1.00 30.21 H new ATOM 0 HE1 PHE A 17 -10.078 1.787 7.692 1.00 52.12 H new ATOM 0 HE2 PHE A 17 -10.985 -0.942 10.838 1.00 70.51 H new ATOM 0 HZ PHE A 17 -11.686 0.849 9.302 1.00 22.50 H new ATOM 266 N GLU A 18 -6.188 -1.215 12.138 1.00 32.24 N ATOM 267 CA GLU A 18 -6.711 -1.277 13.497 1.00 34.11 C ATOM 268 C GLU A 18 -5.982 -0.325 14.442 1.00 3.23 C ATOM 269 O GLU A 18 -6.520 0.062 15.480 1.00 65.24 O ATOM 270 CB GLU A 18 -6.593 -2.706 14.020 1.00 41.32 C ATOM 271 CG GLU A 18 -7.541 -3.678 13.343 1.00 74.14 C ATOM 272 CD GLU A 18 -8.957 -3.558 13.855 1.00 33.11 C ATOM 273 OE1 GLU A 18 -9.576 -2.489 13.684 1.00 71.34 O ATOM 274 OE2 GLU A 18 -9.457 -4.540 14.448 1.00 34.22 O ATOM 0 H GLU A 18 -5.830 -2.105 11.790 1.00 32.24 H new ATOM 0 HA GLU A 18 -7.756 -0.968 13.464 1.00 34.11 H new ATOM 0 HB2 GLU A 18 -5.569 -3.052 13.880 1.00 41.32 H new ATOM 0 HB3 GLU A 18 -6.787 -2.709 15.093 1.00 41.32 H new ATOM 0 HG2 GLU A 18 -7.531 -3.501 12.268 1.00 74.14 H new ATOM 0 HG3 GLU A 18 -7.186 -4.696 13.501 1.00 74.14 H new ATOM 281 N ARG A 19 -4.760 0.040 14.089 1.00 22.41 N ATOM 282 CA ARG A 19 -3.922 0.832 14.973 1.00 10.34 C ATOM 283 C ARG A 19 -3.862 2.302 14.554 1.00 61.25 C ATOM 284 O ARG A 19 -4.205 3.188 15.335 1.00 21.33 O ATOM 285 CB ARG A 19 -2.528 0.208 15.025 1.00 41.14 C ATOM 286 CG ARG A 19 -2.585 -1.255 15.431 1.00 71.04 C ATOM 287 CD ARG A 19 -1.236 -1.942 15.348 1.00 10.04 C ATOM 288 NE ARG A 19 -1.372 -3.381 15.560 1.00 54.05 N ATOM 289 CZ ARG A 19 -0.532 -4.120 16.281 1.00 72.22 C ATOM 290 NH1 ARG A 19 0.552 -3.573 16.820 1.00 13.33 N ATOM 291 NH2 ARG A 19 -0.777 -5.415 16.447 1.00 12.21 N ATOM 0 H ARG A 19 -4.327 -0.200 13.197 1.00 22.41 H new ATOM 0 HA ARG A 19 -4.362 0.823 15.970 1.00 10.34 H new ATOM 0 HB2 ARG A 19 -2.052 0.297 14.048 1.00 41.14 H new ATOM 0 HB3 ARG A 19 -1.908 0.759 15.733 1.00 41.14 H new ATOM 0 HG2 ARG A 19 -2.963 -1.330 16.451 1.00 71.04 H new ATOM 0 HG3 ARG A 19 -3.294 -1.778 14.789 1.00 71.04 H new ATOM 0 HD2 ARG A 19 -0.787 -1.755 14.373 1.00 10.04 H new ATOM 0 HD3 ARG A 19 -0.563 -1.522 16.095 1.00 10.04 H new ATOM 0 HE ARG A 19 -2.166 -3.852 15.125 1.00 54.05 H new ATOM 0 HH11 ARG A 19 0.745 -2.581 16.682 1.00 13.33 H new ATOM 0 HH12 ARG A 19 1.192 -4.145 17.371 1.00 13.33 H new ATOM 0 HH21 ARG A 19 -1.604 -5.836 16.023 1.00 12.21 H new ATOM 0 HH22 ARG A 19 -0.138 -5.988 16.998 1.00 12.21 H new ATOM 305 N MET A 20 -3.456 2.563 13.318 1.00 71.23 N ATOM 306 CA MET A 20 -3.212 3.937 12.871 1.00 0.03 C ATOM 307 C MET A 20 -4.507 4.628 12.439 1.00 2.15 C ATOM 308 O MET A 20 -4.636 5.847 12.543 1.00 25.33 O ATOM 309 CB MET A 20 -2.191 3.941 11.726 1.00 20.35 C ATOM 310 CG MET A 20 -1.785 5.329 11.245 1.00 30.42 C ATOM 311 SD MET A 20 -1.241 6.415 12.582 1.00 21.20 S ATOM 312 CE MET A 20 0.216 5.546 13.160 1.00 21.44 C ATOM 0 H MET A 20 -3.288 1.850 12.608 1.00 71.23 H new ATOM 0 HA MET A 20 -2.808 4.499 13.713 1.00 0.03 H new ATOM 0 HB2 MET A 20 -1.298 3.407 12.051 1.00 20.35 H new ATOM 0 HB3 MET A 20 -2.606 3.386 10.885 1.00 20.35 H new ATOM 0 HG2 MET A 20 -0.982 5.233 10.514 1.00 30.42 H new ATOM 0 HG3 MET A 20 -2.629 5.790 10.732 1.00 30.42 H new ATOM 0 HE1 MET A 20 0.752 6.170 13.875 1.00 21.44 H new ATOM 0 HE2 MET A 20 -0.083 4.616 13.643 1.00 21.44 H new ATOM 0 HE3 MET A 20 0.866 5.323 12.314 1.00 21.44 H new ATOM 322 N ILE A 21 -5.469 3.842 11.980 1.00 2.52 N ATOM 323 CA ILE A 21 -6.756 4.372 11.533 1.00 72.20 C ATOM 324 C ILE A 21 -7.686 4.561 12.730 1.00 33.30 C ATOM 325 O ILE A 21 -8.619 5.356 12.690 1.00 43.04 O ATOM 326 CB ILE A 21 -7.404 3.451 10.457 1.00 1.51 C ATOM 327 CG1 ILE A 21 -6.651 3.564 9.122 1.00 50.22 C ATOM 328 CG2 ILE A 21 -8.875 3.775 10.249 1.00 1.33 C ATOM 329 CD1 ILE A 21 -5.257 2.973 9.136 1.00 72.34 C ATOM 0 H ILE A 21 -5.385 2.828 11.906 1.00 2.52 H new ATOM 0 HA ILE A 21 -6.587 5.343 11.067 1.00 72.20 H new ATOM 0 HB ILE A 21 -7.332 2.427 10.824 1.00 1.51 H new ATOM 0 HG12 ILE A 21 -7.235 3.068 8.347 1.00 50.22 H new ATOM 0 HG13 ILE A 21 -6.583 4.616 8.845 1.00 50.22 H new ATOM 0 HG21 ILE A 21 -9.290 3.111 9.491 1.00 1.33 H new ATOM 0 HG22 ILE A 21 -9.414 3.638 11.186 1.00 1.33 H new ATOM 0 HG23 ILE A 21 -8.977 4.809 9.920 1.00 1.33 H new ATOM 0 HD11 ILE A 21 -4.800 3.097 8.154 1.00 72.34 H new ATOM 0 HD12 ILE A 21 -4.652 3.484 9.885 1.00 72.34 H new ATOM 0 HD13 ILE A 21 -5.314 1.912 9.379 1.00 72.34 H new ATOM 341 N ALA A 22 -7.387 3.863 13.819 1.00 44.31 N ATOM 342 CA ALA A 22 -8.177 3.978 15.042 1.00 44.22 C ATOM 343 C ALA A 22 -7.958 5.329 15.721 1.00 41.35 C ATOM 344 O ALA A 22 -8.771 5.767 16.537 1.00 32.23 O ATOM 345 CB ALA A 22 -7.837 2.845 15.997 1.00 71.32 C ATOM 0 H ALA A 22 -6.604 3.212 13.882 1.00 44.31 H new ATOM 0 HA ALA A 22 -9.230 3.908 14.769 1.00 44.22 H new ATOM 0 HB1 ALA A 22 -8.433 2.943 16.904 1.00 71.32 H new ATOM 0 HB2 ALA A 22 -8.056 1.889 15.520 1.00 71.32 H new ATOM 0 HB3 ALA A 22 -6.778 2.889 16.252 1.00 71.32 H new ATOM 351 N GLY A 23 -6.855 5.987 15.381 1.00 74.04 N ATOM 352 CA GLY A 23 -6.552 7.283 15.958 1.00 32.55 C ATOM 353 C GLY A 23 -7.419 8.380 15.376 1.00 63.13 C ATOM 354 O GLY A 23 -8.454 8.730 15.942 1.00 75.22 O ATOM 0 H GLY A 23 -6.164 5.644 14.714 1.00 74.04 H new ATOM 0 HA2 GLY A 23 -6.696 7.242 17.038 1.00 32.55 H new ATOM 0 HA3 GLY A 23 -5.502 7.520 15.785 1.00 32.55 H new ATOM 358 N ARG A 24 -6.998 8.916 14.243 1.00 44.51 N ATOM 359 CA ARG A 24 -7.756 9.935 13.547 1.00 60.14 C ATOM 360 C ARG A 24 -7.697 9.674 12.053 1.00 53.45 C ATOM 361 O ARG A 24 -6.665 9.825 11.402 1.00 64.21 O ATOM 362 CB ARG A 24 -7.263 11.338 13.903 1.00 55.22 C ATOM 363 CG ARG A 24 -5.767 11.529 13.758 1.00 52.54 C ATOM 364 CD ARG A 24 -5.416 12.272 12.484 1.00 21.02 C ATOM 365 NE ARG A 24 -3.973 12.416 12.315 1.00 11.15 N ATOM 366 CZ ARG A 24 -3.406 13.203 11.404 1.00 54.13 C ATOM 367 NH1 ARG A 24 -4.158 13.923 10.581 1.00 72.23 N ATOM 368 NH2 ARG A 24 -2.083 13.275 11.319 1.00 2.00 N ATOM 0 H ARG A 24 -6.125 8.657 13.784 1.00 44.51 H new ATOM 0 HA ARG A 24 -8.797 9.886 13.866 1.00 60.14 H new ATOM 0 HB2 ARG A 24 -7.773 12.062 13.267 1.00 55.22 H new ATOM 0 HB3 ARG A 24 -7.548 11.560 14.931 1.00 55.22 H new ATOM 0 HG2 ARG A 24 -5.386 12.081 14.617 1.00 52.54 H new ATOM 0 HG3 ARG A 24 -5.274 10.557 13.759 1.00 52.54 H new ATOM 0 HD2 ARG A 24 -5.830 11.739 11.628 1.00 21.02 H new ATOM 0 HD3 ARG A 24 -5.879 13.258 12.500 1.00 21.02 H new ATOM 0 HE ARG A 24 -3.363 11.881 12.933 1.00 11.15 H new ATOM 0 HH11 ARG A 24 -5.175 13.874 10.645 1.00 72.23 H new ATOM 0 HH12 ARG A 24 -3.719 14.525 9.884 1.00 72.23 H new ATOM 0 HH21 ARG A 24 -1.501 12.727 11.952 1.00 2.00 H new ATOM 0 HH22 ARG A 24 -1.649 13.878 10.621 1.00 2.00 H new ATOM 382 N TRP A 25 -8.814 9.242 11.537 1.00 22.32 N ATOM 383 CA TRP A 25 -8.904 8.798 10.158 1.00 0.24 C ATOM 384 C TRP A 25 -9.883 9.661 9.360 1.00 0.04 C ATOM 385 O TRP A 25 -9.724 9.823 8.150 1.00 30.13 O ATOM 386 CB TRP A 25 -9.282 7.312 10.139 1.00 35.41 C ATOM 387 CG TRP A 25 -10.673 7.004 10.622 1.00 65.21 C ATOM 388 CD1 TRP A 25 -11.711 6.594 9.853 1.00 24.23 C ATOM 389 CD2 TRP A 25 -11.187 7.121 11.962 1.00 70.13 C ATOM 390 NE1 TRP A 25 -12.832 6.408 10.627 1.00 22.12 N ATOM 391 CE2 TRP A 25 -12.539 6.734 11.922 1.00 62.41 C ATOM 392 CE3 TRP A 25 -10.639 7.505 13.189 1.00 73.03 C ATOM 393 CZ2 TRP A 25 -13.345 6.717 13.055 1.00 11.22 C ATOM 394 CZ3 TRP A 25 -11.441 7.492 14.312 1.00 72.23 C ATOM 395 CH2 TRP A 25 -12.781 7.101 14.238 1.00 32.21 C ATOM 0 H TRP A 25 -9.692 9.185 12.053 1.00 22.32 H new ATOM 0 HA TRP A 25 -7.936 8.914 9.670 1.00 0.24 H new ATOM 0 HB2 TRP A 25 -9.176 6.939 9.120 1.00 35.41 H new ATOM 0 HB3 TRP A 25 -8.570 6.763 10.755 1.00 35.41 H new ATOM 0 HD1 TRP A 25 -11.664 6.436 8.786 1.00 24.23 H new ATOM 0 HE1 TRP A 25 -13.737 6.080 10.289 1.00 22.12 H new ATOM 0 HE3 TRP A 25 -9.604 7.807 13.257 1.00 73.03 H new ATOM 0 HZ2 TRP A 25 -14.379 6.411 13.001 1.00 11.22 H new ATOM 0 HZ3 TRP A 25 -11.026 7.789 15.264 1.00 72.23 H new ATOM 0 HH2 TRP A 25 -13.383 7.103 15.135 1.00 32.21 H new ATOM 406 N LYS A 26 -10.900 10.197 10.048 1.00 64.13 N ATOM 407 CA LYS A 26 -11.791 11.230 9.505 1.00 13.21 C ATOM 408 C LYS A 26 -12.707 10.736 8.375 1.00 72.42 C ATOM 409 O LYS A 26 -13.755 11.329 8.126 1.00 21.13 O ATOM 410 CB LYS A 26 -10.970 12.429 9.029 1.00 4.41 C ATOM 411 CG LYS A 26 -11.777 13.705 8.849 1.00 11.04 C ATOM 412 CD LYS A 26 -12.243 14.277 10.184 1.00 24.41 C ATOM 413 CE LYS A 26 -13.439 13.531 10.753 1.00 4.02 C ATOM 414 NZ LYS A 26 -13.934 14.157 12.006 1.00 5.15 N ATOM 0 H LYS A 26 -11.129 9.924 11.004 1.00 64.13 H new ATOM 0 HA LYS A 26 -12.452 11.521 10.322 1.00 13.21 H new ATOM 0 HB2 LYS A 26 -10.171 12.616 9.747 1.00 4.41 H new ATOM 0 HB3 LYS A 26 -10.495 12.176 8.081 1.00 4.41 H new ATOM 0 HG2 LYS A 26 -11.172 14.447 8.328 1.00 11.04 H new ATOM 0 HG3 LYS A 26 -12.643 13.501 8.219 1.00 11.04 H new ATOM 0 HD2 LYS A 26 -11.421 14.238 10.899 1.00 24.41 H new ATOM 0 HD3 LYS A 26 -12.503 15.328 10.054 1.00 24.41 H new ATOM 0 HE2 LYS A 26 -14.241 13.512 10.015 1.00 4.02 H new ATOM 0 HE3 LYS A 26 -13.162 12.495 10.949 1.00 4.02 H new ATOM 0 HZ1 LYS A 26 -14.750 13.620 12.364 1.00 5.15 H new ATOM 0 HZ2 LYS A 26 -13.177 14.152 12.719 1.00 5.15 H new ATOM 0 HZ3 LYS A 26 -14.222 15.138 11.814 1.00 5.15 H new ATOM 428 N HIS A 27 -12.337 9.661 7.704 1.00 35.15 N ATOM 429 CA HIS A 27 -13.090 9.192 6.551 1.00 15.42 C ATOM 430 C HIS A 27 -12.913 7.692 6.359 1.00 44.12 C ATOM 431 O HIS A 27 -12.091 7.242 5.563 1.00 71.55 O ATOM 432 CB HIS A 27 -12.708 9.964 5.272 1.00 32.45 C ATOM 433 CG HIS A 27 -11.233 10.216 5.084 1.00 72.44 C ATOM 434 ND1 HIS A 27 -10.690 11.481 5.060 1.00 50.14 N ATOM 435 CD2 HIS A 27 -10.199 9.366 4.880 1.00 11.41 C ATOM 436 CE1 HIS A 27 -9.390 11.398 4.849 1.00 25.21 C ATOM 437 NE2 HIS A 27 -9.064 10.124 4.734 1.00 75.10 N ATOM 0 H HIS A 27 -11.521 9.095 7.936 1.00 35.15 H new ATOM 0 HA HIS A 27 -14.145 9.386 6.746 1.00 15.42 H new ATOM 0 HB2 HIS A 27 -13.077 9.409 4.409 1.00 32.45 H new ATOM 0 HB3 HIS A 27 -13.225 10.923 5.279 1.00 32.45 H new ATOM 0 HD2 HIS A 27 -10.257 8.288 4.840 1.00 11.41 H new ATOM 0 HE1 HIS A 27 -8.707 12.232 4.782 1.00 25.21 H new ATOM 0 HE2 HIS A 27 -8.125 9.763 4.565 1.00 75.10 H new ATOM 446 N PRO A 28 -13.688 6.904 7.113 1.00 73.34 N ATOM 447 CA PRO A 28 -13.629 5.435 7.082 1.00 14.15 C ATOM 448 C PRO A 28 -13.825 4.862 5.681 1.00 64.42 C ATOM 449 O PRO A 28 -13.130 3.930 5.274 1.00 72.30 O ATOM 450 CB PRO A 28 -14.785 5.006 7.995 1.00 71.31 C ATOM 451 CG PRO A 28 -15.623 6.229 8.176 1.00 1.02 C ATOM 452 CD PRO A 28 -14.688 7.386 8.075 1.00 13.40 C ATOM 0 HA PRO A 28 -12.653 5.071 7.402 1.00 14.15 H new ATOM 0 HB2 PRO A 28 -15.362 4.198 7.545 1.00 71.31 H new ATOM 0 HB3 PRO A 28 -14.414 4.639 8.952 1.00 71.31 H new ATOM 0 HG2 PRO A 28 -16.399 6.287 7.413 1.00 1.02 H new ATOM 0 HG3 PRO A 28 -16.127 6.217 9.143 1.00 1.02 H new ATOM 0 HD2 PRO A 28 -15.192 8.285 7.720 1.00 13.40 H new ATOM 0 HD3 PRO A 28 -14.240 7.631 9.038 1.00 13.40 H new ATOM 460 N ASN A 29 -14.766 5.435 4.949 1.00 51.01 N ATOM 461 CA ASN A 29 -15.068 4.990 3.596 1.00 4.34 C ATOM 462 C ASN A 29 -13.916 5.302 2.646 1.00 42.51 C ATOM 463 O ASN A 29 -13.552 4.478 1.808 1.00 23.01 O ATOM 464 CB ASN A 29 -16.368 5.635 3.088 1.00 71.14 C ATOM 465 CG ASN A 29 -16.342 7.160 3.098 1.00 10.20 C ATOM 466 OD1 ASN A 29 -15.689 7.785 3.942 1.00 11.03 O ATOM 467 ND2 ASN A 29 -17.049 7.768 2.159 1.00 54.43 N ATOM 0 H ASN A 29 -15.339 6.215 5.271 1.00 51.01 H new ATOM 0 HA ASN A 29 -15.204 3.909 3.624 1.00 4.34 H new ATOM 0 HB2 ASN A 29 -16.561 5.291 2.072 1.00 71.14 H new ATOM 0 HB3 ASN A 29 -17.199 5.291 3.704 1.00 71.14 H new ATOM 0 HD21 ASN A 29 -17.068 8.787 2.114 1.00 54.43 H new ATOM 0 HD22 ASN A 29 -17.575 7.218 1.480 1.00 54.43 H new ATOM 474 N ILE A 30 -13.325 6.478 2.801 1.00 70.04 N ATOM 475 CA ILE A 30 -12.248 6.911 1.922 1.00 64.34 C ATOM 476 C ILE A 30 -10.944 6.179 2.244 1.00 50.42 C ATOM 477 O ILE A 30 -10.191 5.815 1.340 1.00 1.14 O ATOM 478 CB ILE A 30 -12.023 8.435 2.012 1.00 0.13 C ATOM 479 CG1 ILE A 30 -13.317 9.189 1.687 1.00 1.12 C ATOM 480 CG2 ILE A 30 -10.904 8.872 1.075 1.00 0.41 C ATOM 481 CD1 ILE A 30 -13.867 8.900 0.304 1.00 42.12 C ATOM 0 H ILE A 30 -13.573 7.150 3.527 1.00 70.04 H new ATOM 0 HA ILE A 30 -12.550 6.664 0.904 1.00 64.34 H new ATOM 0 HB ILE A 30 -11.728 8.676 3.033 1.00 0.13 H new ATOM 0 HG12 ILE A 30 -14.073 8.930 2.429 1.00 1.12 H new ATOM 0 HG13 ILE A 30 -13.134 10.260 1.778 1.00 1.12 H new ATOM 0 HG21 ILE A 30 -10.763 9.950 1.155 1.00 0.41 H new ATOM 0 HG22 ILE A 30 -9.980 8.363 1.350 1.00 0.41 H new ATOM 0 HG23 ILE A 30 -11.168 8.616 0.049 1.00 0.41 H new ATOM 0 HD11 ILE A 30 -14.783 9.471 0.150 1.00 42.12 H new ATOM 0 HD12 ILE A 30 -13.131 9.186 -0.447 1.00 42.12 H new ATOM 0 HD13 ILE A 30 -14.083 7.836 0.214 1.00 42.12 H new ATOM 493 N VAL A 31 -10.685 5.950 3.527 1.00 72.22 N ATOM 494 CA VAL A 31 -9.459 5.275 3.929 1.00 31.53 C ATOM 495 C VAL A 31 -9.493 3.805 3.502 1.00 33.44 C ATOM 496 O VAL A 31 -8.506 3.286 2.984 1.00 4.33 O ATOM 497 CB VAL A 31 -9.178 5.401 5.452 1.00 72.43 C ATOM 498 CG1 VAL A 31 -10.219 4.674 6.289 1.00 24.32 C ATOM 499 CG2 VAL A 31 -7.777 4.899 5.777 1.00 72.24 C ATOM 0 H VAL A 31 -11.299 6.218 4.296 1.00 72.22 H new ATOM 0 HA VAL A 31 -8.637 5.775 3.417 1.00 31.53 H new ATOM 0 HB VAL A 31 -9.243 6.458 5.709 1.00 72.43 H new ATOM 0 HG11 VAL A 31 -9.981 4.790 7.346 1.00 24.32 H new ATOM 0 HG12 VAL A 31 -11.204 5.095 6.090 1.00 24.32 H new ATOM 0 HG13 VAL A 31 -10.218 3.615 6.031 1.00 24.32 H new ATOM 0 HG21 VAL A 31 -7.596 4.994 6.848 1.00 72.24 H new ATOM 0 HG22 VAL A 31 -7.689 3.852 5.485 1.00 72.24 H new ATOM 0 HG23 VAL A 31 -7.043 5.491 5.231 1.00 72.24 H new ATOM 509 N ARG A 32 -10.640 3.146 3.673 1.00 71.22 N ATOM 510 CA ARG A 32 -10.791 1.768 3.220 1.00 31.24 C ATOM 511 C ARG A 32 -10.737 1.696 1.701 1.00 72.50 C ATOM 512 O ARG A 32 -10.281 0.707 1.141 1.00 55.30 O ATOM 513 CB ARG A 32 -12.097 1.149 3.726 1.00 14.40 C ATOM 514 CG ARG A 32 -11.975 0.456 5.076 1.00 22.34 C ATOM 515 CD ARG A 32 -11.096 -0.788 4.993 1.00 44.51 C ATOM 516 NE ARG A 32 -11.121 -1.557 6.237 1.00 25.12 N ATOM 517 CZ ARG A 32 -10.339 -2.614 6.493 1.00 25.24 C ATOM 518 NH1 ARG A 32 -9.496 -3.081 5.581 1.00 52.20 N ATOM 519 NH2 ARG A 32 -10.426 -3.228 7.663 1.00 51.41 N ATOM 0 H ARG A 32 -11.469 3.542 4.117 1.00 71.22 H new ATOM 0 HA ARG A 32 -9.962 1.195 3.635 1.00 31.24 H new ATOM 0 HB2 ARG A 32 -12.853 1.931 3.798 1.00 14.40 H new ATOM 0 HB3 ARG A 32 -12.454 0.428 2.990 1.00 14.40 H new ATOM 0 HG2 ARG A 32 -11.556 1.150 5.805 1.00 22.34 H new ATOM 0 HG3 ARG A 32 -12.966 0.178 5.434 1.00 22.34 H new ATOM 0 HD2 ARG A 32 -11.435 -1.418 4.170 1.00 44.51 H new ATOM 0 HD3 ARG A 32 -10.071 -0.494 4.768 1.00 44.51 H new ATOM 0 HE ARG A 32 -11.780 -1.268 6.960 1.00 25.12 H new ATOM 0 HH11 ARG A 32 -9.435 -2.634 4.666 1.00 52.20 H new ATOM 0 HH12 ARG A 32 -8.909 -3.887 5.795 1.00 52.20 H new ATOM 0 HH21 ARG A 32 -11.087 -2.896 8.365 1.00 51.41 H new ATOM 0 HH22 ARG A 32 -9.832 -4.033 7.862 1.00 51.41 H new ATOM 533 N SER A 33 -11.195 2.756 1.041 1.00 34.45 N ATOM 534 CA SER A 33 -11.125 2.841 -0.411 1.00 3.12 C ATOM 535 C SER A 33 -9.682 2.673 -0.875 1.00 54.44 C ATOM 536 O SER A 33 -9.403 1.932 -1.813 1.00 1.04 O ATOM 537 CB SER A 33 -11.684 4.185 -0.890 1.00 32.42 C ATOM 538 OG SER A 33 -11.611 4.309 -2.303 1.00 62.34 O ATOM 0 H SER A 33 -11.619 3.568 1.491 1.00 34.45 H new ATOM 0 HA SER A 33 -11.727 2.041 -0.841 1.00 3.12 H new ATOM 0 HB2 SER A 33 -12.721 4.283 -0.569 1.00 32.42 H new ATOM 0 HB3 SER A 33 -11.127 4.998 -0.424 1.00 32.42 H new ATOM 0 HG SER A 33 -11.977 5.177 -2.575 1.00 62.34 H new ATOM 544 N ARG A 34 -8.762 3.333 -0.187 1.00 61.15 N ATOM 545 CA ARG A 34 -7.352 3.259 -0.547 1.00 2.23 C ATOM 546 C ARG A 34 -6.722 1.967 -0.047 1.00 22.14 C ATOM 547 O ARG A 34 -5.881 1.382 -0.713 1.00 45.24 O ATOM 548 CB ARG A 34 -6.585 4.475 -0.011 1.00 71.25 C ATOM 549 CG ARG A 34 -6.513 5.638 -0.995 1.00 32.11 C ATOM 550 CD ARG A 34 -7.891 6.059 -1.475 1.00 60.04 C ATOM 551 NE ARG A 34 -7.825 7.128 -2.473 1.00 4.52 N ATOM 552 CZ ARG A 34 -8.810 7.408 -3.332 1.00 13.42 C ATOM 553 NH1 ARG A 34 -9.912 6.664 -3.354 1.00 2.14 N ATOM 554 NH2 ARG A 34 -8.692 8.426 -4.179 1.00 53.11 N ATOM 0 H ARG A 34 -8.964 3.923 0.620 1.00 61.15 H new ATOM 0 HA ARG A 34 -7.289 3.266 -1.635 1.00 2.23 H new ATOM 0 HB2 ARG A 34 -7.061 4.817 0.908 1.00 71.25 H new ATOM 0 HB3 ARG A 34 -5.572 4.168 0.250 1.00 71.25 H new ATOM 0 HG2 ARG A 34 -6.019 6.486 -0.520 1.00 32.11 H new ATOM 0 HG3 ARG A 34 -5.902 5.352 -1.851 1.00 32.11 H new ATOM 0 HD2 ARG A 34 -8.405 5.197 -1.901 1.00 60.04 H new ATOM 0 HD3 ARG A 34 -8.484 6.395 -0.624 1.00 60.04 H new ATOM 0 HE ARG A 34 -6.977 7.693 -2.515 1.00 4.52 H new ATOM 0 HH11 ARG A 34 -10.008 5.876 -2.714 1.00 2.14 H new ATOM 0 HH12 ARG A 34 -10.661 6.881 -4.011 1.00 2.14 H new ATOM 0 HH21 ARG A 34 -7.847 8.997 -4.175 1.00 53.11 H new ATOM 0 HH22 ARG A 34 -9.446 8.636 -4.833 1.00 53.11 H new ATOM 568 N ILE A 35 -7.137 1.502 1.117 1.00 44.44 N ATOM 569 CA ILE A 35 -6.579 0.274 1.664 1.00 23.25 C ATOM 570 C ILE A 35 -7.001 -0.944 0.836 1.00 71.20 C ATOM 571 O ILE A 35 -6.176 -1.795 0.505 1.00 13.10 O ATOM 572 CB ILE A 35 -6.972 0.078 3.146 1.00 74.20 C ATOM 573 CG1 ILE A 35 -6.429 1.236 3.989 1.00 75.11 C ATOM 574 CG2 ILE A 35 -6.439 -1.249 3.669 1.00 41.13 C ATOM 575 CD1 ILE A 35 -6.783 1.144 5.458 1.00 63.42 C ATOM 0 H ILE A 35 -7.848 1.947 1.697 1.00 44.44 H new ATOM 0 HA ILE A 35 -5.494 0.367 1.613 1.00 23.25 H new ATOM 0 HB ILE A 35 -8.059 0.065 3.220 1.00 74.20 H new ATOM 0 HG12 ILE A 35 -5.344 1.268 3.888 1.00 75.11 H new ATOM 0 HG13 ILE A 35 -6.814 2.175 3.591 1.00 75.11 H new ATOM 0 HG21 ILE A 35 -6.725 -1.370 4.714 1.00 41.13 H new ATOM 0 HG22 ILE A 35 -6.857 -2.066 3.081 1.00 41.13 H new ATOM 0 HG23 ILE A 35 -5.352 -1.262 3.587 1.00 41.13 H new ATOM 0 HD11 ILE A 35 -6.363 1.999 5.988 1.00 63.42 H new ATOM 0 HD12 ILE A 35 -7.867 1.143 5.572 1.00 63.42 H new ATOM 0 HD13 ILE A 35 -6.374 0.223 5.874 1.00 63.42 H new ATOM 587 N GLU A 36 -8.270 -1.009 0.466 1.00 72.22 N ATOM 588 CA GLU A 36 -8.788 -2.178 -0.234 1.00 12.00 C ATOM 589 C GLU A 36 -8.481 -2.131 -1.729 1.00 64.22 C ATOM 590 O GLU A 36 -8.252 -3.166 -2.349 1.00 31.04 O ATOM 591 CB GLU A 36 -10.296 -2.309 -0.017 1.00 2.34 C ATOM 592 CG GLU A 36 -10.696 -2.401 1.449 1.00 3.53 C ATOM 593 CD GLU A 36 -9.938 -3.480 2.195 1.00 13.15 C ATOM 594 OE1 GLU A 36 -10.253 -4.673 2.008 1.00 0.41 O ATOM 595 OE2 GLU A 36 -9.030 -3.140 2.977 1.00 42.10 O ATOM 0 H GLU A 36 -8.957 -0.274 0.636 1.00 72.22 H new ATOM 0 HA GLU A 36 -8.286 -3.051 0.183 1.00 12.00 H new ATOM 0 HB2 GLU A 36 -10.795 -1.451 -0.468 1.00 2.34 H new ATOM 0 HB3 GLU A 36 -10.654 -3.197 -0.539 1.00 2.34 H new ATOM 0 HG2 GLU A 36 -10.519 -1.439 1.931 1.00 3.53 H new ATOM 0 HG3 GLU A 36 -11.765 -2.600 1.518 1.00 3.53 H new ATOM 602 N LYS A 37 -8.476 -0.939 -2.308 1.00 42.13 N ATOM 603 CA LYS A 37 -8.280 -0.801 -3.748 1.00 3.32 C ATOM 604 C LYS A 37 -6.819 -0.519 -4.113 1.00 31.34 C ATOM 605 O LYS A 37 -6.321 -1.029 -5.122 1.00 2.33 O ATOM 606 CB LYS A 37 -9.227 0.278 -4.301 1.00 54.23 C ATOM 607 CG LYS A 37 -8.789 0.894 -5.618 1.00 22.10 C ATOM 608 CD LYS A 37 -8.051 2.198 -5.378 1.00 22.12 C ATOM 609 CE LYS A 37 -7.297 2.652 -6.608 1.00 63.21 C ATOM 610 NZ LYS A 37 -6.617 3.955 -6.392 1.00 41.42 N ATOM 0 H LYS A 37 -8.604 -0.058 -1.809 1.00 42.13 H new ATOM 0 HA LYS A 37 -8.526 -1.754 -4.216 1.00 3.32 H new ATOM 0 HB2 LYS A 37 -10.217 -0.159 -4.432 1.00 54.23 H new ATOM 0 HB3 LYS A 37 -9.324 1.071 -3.559 1.00 54.23 H new ATOM 0 HG2 LYS A 37 -8.144 0.198 -6.155 1.00 22.10 H new ATOM 0 HG3 LYS A 37 -9.659 1.073 -6.249 1.00 22.10 H new ATOM 0 HD2 LYS A 37 -8.763 2.969 -5.083 1.00 22.12 H new ATOM 0 HD3 LYS A 37 -7.354 2.074 -4.550 1.00 22.12 H new ATOM 0 HE2 LYS A 37 -6.558 1.898 -6.880 1.00 63.21 H new ATOM 0 HE3 LYS A 37 -7.988 2.738 -7.446 1.00 63.21 H new ATOM 0 HZ1 LYS A 37 -6.618 4.499 -7.279 1.00 41.42 H new ATOM 0 HZ2 LYS A 37 -7.120 4.491 -5.656 1.00 41.42 H new ATOM 0 HZ3 LYS A 37 -5.636 3.789 -6.089 1.00 41.42 H new ATOM 624 N ASP A 38 -6.132 0.287 -3.310 1.00 12.41 N ATOM 625 CA ASP A 38 -4.730 0.610 -3.586 1.00 11.32 C ATOM 626 C ASP A 38 -3.794 -0.402 -2.937 1.00 11.22 C ATOM 627 O ASP A 38 -2.915 -0.952 -3.595 1.00 41.15 O ATOM 628 CB ASP A 38 -4.363 2.018 -3.090 1.00 64.11 C ATOM 629 CG ASP A 38 -5.039 3.128 -3.863 1.00 53.23 C ATOM 630 OD1 ASP A 38 -4.471 3.588 -4.875 1.00 30.21 O ATOM 631 OD2 ASP A 38 -6.144 3.551 -3.470 1.00 22.15 O ATOM 0 H ASP A 38 -6.514 0.726 -2.472 1.00 12.41 H new ATOM 0 HA ASP A 38 -4.610 0.574 -4.669 1.00 11.32 H new ATOM 0 HB2 ASP A 38 -4.631 2.104 -2.037 1.00 64.11 H new ATOM 0 HB3 ASP A 38 -3.283 2.147 -3.155 1.00 64.11 H new ATOM 636 N ILE A 39 -3.988 -0.649 -1.647 1.00 13.35 N ATOM 637 CA ILE A 39 -3.066 -1.486 -0.885 1.00 13.34 C ATOM 638 C ILE A 39 -3.213 -2.966 -1.242 1.00 12.33 C ATOM 639 O ILE A 39 -2.218 -3.654 -1.463 1.00 62.53 O ATOM 640 CB ILE A 39 -3.243 -1.298 0.639 1.00 55.24 C ATOM 641 CG1 ILE A 39 -3.119 0.183 1.014 1.00 71.41 C ATOM 642 CG2 ILE A 39 -2.219 -2.127 1.403 1.00 15.41 C ATOM 643 CD1 ILE A 39 -1.786 0.801 0.642 1.00 55.52 C ATOM 0 H ILE A 39 -4.772 -0.284 -1.107 1.00 13.35 H new ATOM 0 HA ILE A 39 -2.062 -1.161 -1.160 1.00 13.34 H new ATOM 0 HB ILE A 39 -4.240 -1.643 0.914 1.00 55.24 H new ATOM 0 HG12 ILE A 39 -3.917 0.740 0.522 1.00 71.41 H new ATOM 0 HG13 ILE A 39 -3.271 0.290 2.088 1.00 71.41 H new ATOM 0 HG21 ILE A 39 -2.359 -1.982 2.474 1.00 15.41 H new ATOM 0 HG22 ILE A 39 -2.350 -3.181 1.160 1.00 15.41 H new ATOM 0 HG23 ILE A 39 -1.214 -1.812 1.123 1.00 15.41 H new ATOM 0 HD11 ILE A 39 -1.775 1.850 0.939 1.00 55.52 H new ATOM 0 HD12 ILE A 39 -0.983 0.270 1.154 1.00 55.52 H new ATOM 0 HD13 ILE A 39 -1.639 0.728 -0.436 1.00 55.52 H new ATOM 655 N LYS A 40 -4.446 -3.462 -1.308 1.00 3.34 N ATOM 656 CA LYS A 40 -4.669 -4.861 -1.680 1.00 63.33 C ATOM 657 C LYS A 40 -5.473 -4.987 -2.979 1.00 62.21 C ATOM 658 O LYS A 40 -6.624 -5.428 -2.955 1.00 14.34 O ATOM 659 CB LYS A 40 -5.395 -5.639 -0.568 1.00 45.02 C ATOM 660 CG LYS A 40 -4.600 -5.832 0.721 1.00 71.00 C ATOM 661 CD LYS A 40 -4.775 -4.665 1.681 1.00 54.52 C ATOM 662 CE LYS A 40 -6.234 -4.478 2.083 1.00 24.12 C ATOM 663 NZ LYS A 40 -6.779 -5.644 2.828 1.00 1.42 N ATOM 0 H LYS A 40 -5.294 -2.929 -1.113 1.00 3.34 H new ATOM 0 HA LYS A 40 -3.679 -5.292 -1.831 1.00 63.33 H new ATOM 0 HB2 LYS A 40 -6.322 -5.118 -0.329 1.00 45.02 H new ATOM 0 HB3 LYS A 40 -5.671 -6.620 -0.955 1.00 45.02 H new ATOM 0 HG2 LYS A 40 -4.919 -6.753 1.209 1.00 71.00 H new ATOM 0 HG3 LYS A 40 -3.543 -5.948 0.481 1.00 71.00 H new ATOM 0 HD2 LYS A 40 -4.171 -4.834 2.572 1.00 54.52 H new ATOM 0 HD3 LYS A 40 -4.406 -3.752 1.214 1.00 54.52 H new ATOM 0 HE2 LYS A 40 -6.325 -3.584 2.700 1.00 24.12 H new ATOM 0 HE3 LYS A 40 -6.834 -4.311 1.189 1.00 24.12 H new ATOM 0 HZ1 LYS A 40 -7.773 -5.464 3.076 1.00 1.42 H new ATOM 0 HZ2 LYS A 40 -6.720 -6.495 2.233 1.00 1.42 H new ATOM 0 HZ3 LYS A 40 -6.226 -5.790 3.697 1.00 1.42 H new ATOM 677 N PRO A 41 -4.895 -4.605 -4.135 1.00 25.12 N ATOM 678 CA PRO A 41 -5.574 -4.750 -5.423 1.00 21.53 C ATOM 679 C PRO A 41 -5.565 -6.201 -5.902 1.00 24.14 C ATOM 680 O PRO A 41 -6.613 -6.785 -6.172 1.00 2.31 O ATOM 681 CB PRO A 41 -4.753 -3.860 -6.358 1.00 53.03 C ATOM 682 CG PRO A 41 -3.387 -3.839 -5.769 1.00 34.24 C ATOM 683 CD PRO A 41 -3.559 -3.998 -4.281 1.00 63.03 C ATOM 0 HA PRO A 41 -6.626 -4.469 -5.377 1.00 21.53 H new ATOM 0 HB2 PRO A 41 -4.739 -4.260 -7.372 1.00 53.03 H new ATOM 0 HB3 PRO A 41 -5.173 -2.856 -6.417 1.00 53.03 H new ATOM 0 HG2 PRO A 41 -2.776 -4.645 -6.177 1.00 34.24 H new ATOM 0 HG3 PRO A 41 -2.878 -2.904 -6.003 1.00 34.24 H new ATOM 0 HD2 PRO A 41 -2.783 -4.635 -3.856 1.00 63.03 H new ATOM 0 HD3 PRO A 41 -3.499 -3.038 -3.768 1.00 63.03 H new ATOM 691 N ALA A 42 -4.369 -6.772 -5.994 1.00 34.52 N ATOM 692 CA ALA A 42 -4.202 -8.167 -6.373 1.00 63.22 C ATOM 693 C ALA A 42 -3.162 -8.830 -5.485 1.00 55.40 C ATOM 694 O ALA A 42 -2.798 -9.987 -5.679 1.00 51.40 O ATOM 695 CB ALA A 42 -3.804 -8.276 -7.837 1.00 22.40 C ATOM 0 H ALA A 42 -3.493 -6.283 -5.809 1.00 34.52 H new ATOM 0 HA ALA A 42 -5.153 -8.683 -6.238 1.00 63.22 H new ATOM 0 HB1 ALA A 42 -3.683 -9.326 -8.104 1.00 22.40 H new ATOM 0 HB2 ALA A 42 -4.580 -7.830 -8.459 1.00 22.40 H new ATOM 0 HB3 ALA A 42 -2.863 -7.750 -7.998 1.00 22.40 H new ATOM 701 N ILE A 43 -2.697 -8.080 -4.500 1.00 72.13 N ATOM 702 CA ILE A 43 -1.694 -8.566 -3.569 1.00 31.44 C ATOM 703 C ILE A 43 -2.263 -8.622 -2.156 1.00 61.12 C ATOM 704 O ILE A 43 -2.198 -7.657 -1.399 1.00 31.23 O ATOM 705 CB ILE A 43 -0.414 -7.696 -3.604 1.00 15.01 C ATOM 706 CG1 ILE A 43 -0.767 -6.203 -3.670 1.00 62.31 C ATOM 707 CG2 ILE A 43 0.451 -8.089 -4.794 1.00 40.53 C ATOM 708 CD1 ILE A 43 0.401 -5.285 -3.376 1.00 62.52 C ATOM 0 H ILE A 43 -3.002 -7.123 -4.324 1.00 72.13 H new ATOM 0 HA ILE A 43 -1.416 -9.574 -3.878 1.00 31.44 H new ATOM 0 HB ILE A 43 0.146 -7.870 -2.685 1.00 15.01 H new ATOM 0 HG12 ILE A 43 -1.156 -5.975 -4.662 1.00 62.31 H new ATOM 0 HG13 ILE A 43 -1.567 -5.997 -2.959 1.00 62.31 H new ATOM 0 HG21 ILE A 43 1.349 -7.472 -4.811 1.00 40.53 H new ATOM 0 HG22 ILE A 43 0.733 -9.138 -4.708 1.00 40.53 H new ATOM 0 HG23 ILE A 43 -0.110 -7.939 -5.717 1.00 40.53 H new ATOM 0 HD11 ILE A 43 0.074 -4.247 -3.442 1.00 62.52 H new ATOM 0 HD12 ILE A 43 0.777 -5.484 -2.372 1.00 62.52 H new ATOM 0 HD13 ILE A 43 1.194 -5.462 -4.102 1.00 62.52 H new ATOM 720 N GLY A 44 -2.870 -9.751 -1.827 1.00 44.15 N ATOM 721 CA GLY A 44 -3.422 -9.939 -0.501 1.00 33.41 C ATOM 722 C GLY A 44 -2.915 -11.212 0.138 1.00 4.12 C ATOM 723 O GLY A 44 -2.392 -11.197 1.253 1.00 23.23 O ATOM 0 H GLY A 44 -2.991 -10.544 -2.457 1.00 44.15 H new ATOM 0 HA2 GLY A 44 -3.160 -9.087 0.127 1.00 33.41 H new ATOM 0 HA3 GLY A 44 -4.510 -9.969 -0.560 1.00 33.41 H new ATOM 727 N SER A 45 -3.055 -12.316 -0.578 1.00 30.33 N ATOM 728 CA SER A 45 -2.540 -13.599 -0.126 1.00 43.51 C ATOM 729 C SER A 45 -1.061 -13.744 -0.482 1.00 1.14 C ATOM 730 O SER A 45 -0.475 -14.822 -0.361 1.00 15.24 O ATOM 731 CB SER A 45 -3.363 -14.720 -0.754 1.00 3.43 C ATOM 732 OG SER A 45 -3.716 -14.390 -2.088 1.00 62.51 O ATOM 0 H SER A 45 -3.525 -12.349 -1.483 1.00 30.33 H new ATOM 0 HA SER A 45 -2.625 -13.659 0.959 1.00 43.51 H new ATOM 0 HB2 SER A 45 -2.793 -15.649 -0.742 1.00 3.43 H new ATOM 0 HB3 SER A 45 -4.264 -14.892 -0.165 1.00 3.43 H new ATOM 0 HG SER A 45 -4.242 -15.120 -2.477 1.00 62.51 H new ATOM 738 N LEU A 46 -0.463 -12.644 -0.918 1.00 50.41 N ATOM 739 CA LEU A 46 0.947 -12.623 -1.261 1.00 62.54 C ATOM 740 C LEU A 46 1.789 -12.651 0.009 1.00 44.31 C ATOM 741 O LEU A 46 1.478 -11.959 0.984 1.00 33.10 O ATOM 742 CB LEU A 46 1.275 -11.376 -2.089 1.00 12.34 C ATOM 743 CG LEU A 46 2.710 -11.302 -2.609 1.00 24.24 C ATOM 744 CD1 LEU A 46 2.965 -12.391 -3.639 1.00 24.22 C ATOM 745 CD2 LEU A 46 3.001 -9.932 -3.195 1.00 30.23 C ATOM 0 H LEU A 46 -0.939 -11.750 -1.042 1.00 50.41 H new ATOM 0 HA LEU A 46 1.178 -13.505 -1.859 1.00 62.54 H new ATOM 0 HB2 LEU A 46 0.594 -11.334 -2.939 1.00 12.34 H new ATOM 0 HB3 LEU A 46 1.080 -10.493 -1.480 1.00 12.34 H new ATOM 0 HG LEU A 46 3.384 -11.462 -1.768 1.00 24.24 H new ATOM 0 HD11 LEU A 46 3.992 -12.320 -3.996 1.00 24.22 H new ATOM 0 HD12 LEU A 46 2.806 -13.368 -3.183 1.00 24.22 H new ATOM 0 HD13 LEU A 46 2.280 -12.266 -4.478 1.00 24.22 H new ATOM 0 HD21 LEU A 46 4.028 -9.903 -3.559 1.00 30.23 H new ATOM 0 HD22 LEU A 46 2.318 -9.737 -4.021 1.00 30.23 H new ATOM 0 HD23 LEU A 46 2.867 -9.171 -2.426 1.00 30.23 H new ATOM 757 N LYS A 47 2.831 -13.471 0.006 1.00 75.51 N ATOM 758 CA LYS A 47 3.725 -13.570 1.146 1.00 75.12 C ATOM 759 C LYS A 47 4.409 -12.230 1.392 1.00 3.03 C ATOM 760 O LYS A 47 4.711 -11.499 0.447 1.00 5.42 O ATOM 761 CB LYS A 47 4.784 -14.646 0.898 1.00 13.03 C ATOM 762 CG LYS A 47 5.459 -15.142 2.162 1.00 64.32 C ATOM 763 CD LYS A 47 4.536 -16.057 2.949 1.00 15.11 C ATOM 764 CE LYS A 47 4.287 -17.365 2.211 1.00 1.40 C ATOM 765 NZ LYS A 47 5.534 -18.159 2.052 1.00 2.55 N ATOM 0 H LYS A 47 3.076 -14.078 -0.776 1.00 75.51 H new ATOM 0 HA LYS A 47 3.139 -13.842 2.023 1.00 75.12 H new ATOM 0 HB2 LYS A 47 4.318 -15.491 0.390 1.00 13.03 H new ATOM 0 HB3 LYS A 47 5.543 -14.248 0.224 1.00 13.03 H new ATOM 0 HG2 LYS A 47 6.374 -15.676 1.905 1.00 64.32 H new ATOM 0 HG3 LYS A 47 5.749 -14.293 2.781 1.00 64.32 H new ATOM 0 HD2 LYS A 47 4.974 -16.266 3.925 1.00 15.11 H new ATOM 0 HD3 LYS A 47 3.587 -15.552 3.128 1.00 15.11 H new ATOM 0 HE2 LYS A 47 3.549 -17.954 2.755 1.00 1.40 H new ATOM 0 HE3 LYS A 47 3.864 -17.153 1.229 1.00 1.40 H new ATOM 0 HZ1 LYS A 47 5.292 -19.138 1.798 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 6.118 -17.741 1.300 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 6.065 -18.154 2.946 1.00 2.55 H new ATOM 779 N VAL A 48 4.661 -11.913 2.655 1.00 54.14 N ATOM 780 CA VAL A 48 5.315 -10.657 3.011 1.00 32.42 C ATOM 781 C VAL A 48 6.737 -10.620 2.451 1.00 22.12 C ATOM 782 O VAL A 48 7.281 -9.557 2.164 1.00 11.32 O ATOM 783 CB VAL A 48 5.359 -10.457 4.541 1.00 41.21 C ATOM 784 CG1 VAL A 48 5.714 -9.025 4.883 1.00 62.43 C ATOM 785 CG2 VAL A 48 4.034 -10.837 5.175 1.00 34.21 C ATOM 0 H VAL A 48 4.424 -12.506 3.450 1.00 54.14 H new ATOM 0 HA VAL A 48 4.730 -9.848 2.574 1.00 32.42 H new ATOM 0 HB VAL A 48 6.132 -11.112 4.943 1.00 41.21 H new ATOM 0 HG11 VAL A 48 5.740 -8.905 5.966 1.00 62.43 H new ATOM 0 HG12 VAL A 48 6.693 -8.784 4.468 1.00 62.43 H new ATOM 0 HG13 VAL A 48 4.966 -8.354 4.461 1.00 62.43 H new ATOM 0 HG21 VAL A 48 4.090 -10.687 6.253 1.00 34.21 H new ATOM 0 HG22 VAL A 48 3.241 -10.213 4.763 1.00 34.21 H new ATOM 0 HG23 VAL A 48 3.817 -11.884 4.965 1.00 34.21 H new ATOM 795 N GLU A 49 7.322 -11.793 2.271 1.00 3.23 N ATOM 796 CA GLU A 49 8.668 -11.905 1.723 1.00 50.15 C ATOM 797 C GLU A 49 8.662 -11.697 0.210 1.00 2.40 C ATOM 798 O GLU A 49 9.720 -11.600 -0.415 1.00 50.23 O ATOM 799 CB GLU A 49 9.256 -13.277 2.038 1.00 74.54 C ATOM 800 CG GLU A 49 9.230 -13.635 3.512 1.00 3.05 C ATOM 801 CD GLU A 49 9.921 -14.947 3.787 1.00 53.22 C ATOM 802 OE1 GLU A 49 9.276 -16.005 3.642 1.00 44.13 O ATOM 803 OE2 GLU A 49 11.119 -14.927 4.140 1.00 62.44 O ATOM 0 H GLU A 49 6.885 -12.686 2.497 1.00 3.23 H new ATOM 0 HA GLU A 49 9.280 -11.130 2.184 1.00 50.15 H new ATOM 0 HB2 GLU A 49 8.704 -14.034 1.481 1.00 74.54 H new ATOM 0 HB3 GLU A 49 10.287 -13.309 1.685 1.00 74.54 H new ATOM 0 HG2 GLU A 49 9.713 -12.844 4.086 1.00 3.05 H new ATOM 0 HG3 GLU A 49 8.196 -13.691 3.853 1.00 3.05 H new ATOM 810 N ASP A 50 7.473 -11.632 -0.374 1.00 11.14 N ATOM 811 CA ASP A 50 7.345 -11.534 -1.822 1.00 30.02 C ATOM 812 C ASP A 50 6.962 -10.133 -2.268 1.00 54.51 C ATOM 813 O ASP A 50 6.763 -9.898 -3.459 1.00 42.22 O ATOM 814 CB ASP A 50 6.308 -12.523 -2.355 1.00 63.33 C ATOM 815 CG ASP A 50 6.815 -13.944 -2.392 1.00 12.54 C ATOM 816 OD1 ASP A 50 7.931 -14.168 -2.902 1.00 33.31 O ATOM 817 OD2 ASP A 50 6.094 -14.848 -1.920 1.00 34.03 O ATOM 0 H ASP A 50 6.586 -11.645 0.130 1.00 11.14 H new ATOM 0 HA ASP A 50 8.326 -11.776 -2.231 1.00 30.02 H new ATOM 0 HB2 ASP A 50 5.416 -12.477 -1.731 1.00 63.33 H new ATOM 0 HB3 ASP A 50 6.010 -12.223 -3.360 1.00 63.33 H new ATOM 822 N VAL A 51 6.851 -9.197 -1.333 1.00 41.21 N ATOM 823 CA VAL A 51 6.502 -7.832 -1.699 1.00 0.13 C ATOM 824 C VAL A 51 7.739 -7.089 -2.216 1.00 73.12 C ATOM 825 O VAL A 51 8.437 -6.373 -1.497 1.00 75.34 O ATOM 826 CB VAL A 51 5.802 -7.062 -0.543 1.00 35.21 C ATOM 827 CG1 VAL A 51 6.687 -6.955 0.691 1.00 32.25 C ATOM 828 CG2 VAL A 51 5.350 -5.685 -1.008 1.00 3.03 C ATOM 0 H VAL A 51 6.994 -9.354 -0.335 1.00 41.21 H new ATOM 0 HA VAL A 51 5.770 -7.884 -2.505 1.00 0.13 H new ATOM 0 HB VAL A 51 4.921 -7.637 -0.257 1.00 35.21 H new ATOM 0 HG11 VAL A 51 6.157 -6.410 1.472 1.00 32.25 H new ATOM 0 HG12 VAL A 51 6.934 -7.954 1.049 1.00 32.25 H new ATOM 0 HG13 VAL A 51 7.604 -6.424 0.436 1.00 32.25 H new ATOM 0 HG21 VAL A 51 4.863 -5.164 -0.183 1.00 3.03 H new ATOM 0 HG22 VAL A 51 6.215 -5.111 -1.339 1.00 3.03 H new ATOM 0 HG23 VAL A 51 4.648 -5.793 -1.835 1.00 3.03 H new ATOM 838 N LYS A 52 8.017 -7.320 -3.483 1.00 34.14 N ATOM 839 CA LYS A 52 9.195 -6.781 -4.136 1.00 13.44 C ATOM 840 C LYS A 52 8.921 -5.381 -4.681 1.00 54.13 C ATOM 841 O LYS A 52 7.778 -5.057 -5.012 1.00 63.03 O ATOM 842 CB LYS A 52 9.608 -7.731 -5.258 1.00 25.02 C ATOM 843 CG LYS A 52 9.839 -9.154 -4.775 1.00 64.04 C ATOM 844 CD LYS A 52 10.051 -10.113 -5.928 1.00 12.42 C ATOM 845 CE LYS A 52 10.334 -11.522 -5.437 1.00 34.25 C ATOM 846 NZ LYS A 52 10.484 -12.473 -6.568 1.00 51.21 N ATOM 0 H LYS A 52 7.430 -7.890 -4.092 1.00 34.14 H new ATOM 0 HA LYS A 52 10.007 -6.694 -3.414 1.00 13.44 H new ATOM 0 HB2 LYS A 52 8.835 -7.735 -6.027 1.00 25.02 H new ATOM 0 HB3 LYS A 52 10.520 -7.359 -5.725 1.00 25.02 H new ATOM 0 HG2 LYS A 52 10.708 -9.178 -4.118 1.00 64.04 H new ATOM 0 HG3 LYS A 52 8.983 -9.480 -4.184 1.00 64.04 H new ATOM 0 HD2 LYS A 52 9.166 -10.119 -6.564 1.00 12.42 H new ATOM 0 HD3 LYS A 52 10.882 -9.767 -6.542 1.00 12.42 H new ATOM 0 HE2 LYS A 52 11.244 -11.523 -4.836 1.00 34.25 H new ATOM 0 HE3 LYS A 52 9.523 -11.852 -4.788 1.00 34.25 H new ATOM 0 HZ1 LYS A 52 10.676 -13.426 -6.197 1.00 51.21 H new ATOM 0 HZ2 LYS A 52 9.607 -12.489 -7.126 1.00 51.21 H new ATOM 0 HZ3 LYS A 52 11.274 -12.171 -7.173 1.00 51.21 H new ATOM 860 N PRO A 53 9.969 -4.538 -4.777 1.00 74.21 N ATOM 861 CA PRO A 53 9.856 -3.143 -5.240 1.00 63.41 C ATOM 862 C PRO A 53 9.102 -2.994 -6.561 1.00 4.40 C ATOM 863 O PRO A 53 8.403 -2.001 -6.776 1.00 32.41 O ATOM 864 CB PRO A 53 11.311 -2.709 -5.412 1.00 41.24 C ATOM 865 CG PRO A 53 12.067 -3.552 -4.449 1.00 35.40 C ATOM 866 CD PRO A 53 11.361 -4.879 -4.422 1.00 50.13 C ATOM 0 HA PRO A 53 9.285 -2.541 -4.533 1.00 63.41 H new ATOM 0 HB2 PRO A 53 11.655 -2.868 -6.434 1.00 41.24 H new ATOM 0 HB3 PRO A 53 11.437 -1.648 -5.195 1.00 41.24 H new ATOM 0 HG2 PRO A 53 13.105 -3.668 -4.762 1.00 35.40 H new ATOM 0 HG3 PRO A 53 12.081 -3.097 -3.459 1.00 35.40 H new ATOM 0 HD2 PRO A 53 11.796 -5.580 -5.135 1.00 50.13 H new ATOM 0 HD3 PRO A 53 11.421 -5.346 -3.439 1.00 50.13 H new ATOM 874 N ARG A 54 9.242 -3.980 -7.440 1.00 40.23 N ATOM 875 CA ARG A 54 8.557 -3.965 -8.729 1.00 55.15 C ATOM 876 C ARG A 54 7.044 -3.857 -8.551 1.00 11.31 C ATOM 877 O ARG A 54 6.373 -3.146 -9.296 1.00 13.11 O ATOM 878 CB ARG A 54 8.880 -5.228 -9.521 1.00 21.03 C ATOM 879 CG ARG A 54 10.304 -5.289 -10.044 1.00 13.02 C ATOM 880 CD ARG A 54 10.573 -6.619 -10.722 1.00 13.22 C ATOM 881 NE ARG A 54 11.891 -6.680 -11.349 1.00 12.21 N ATOM 882 CZ ARG A 54 12.322 -7.718 -12.067 1.00 71.32 C ATOM 883 NH1 ARG A 54 11.554 -8.791 -12.216 1.00 11.55 N ATOM 884 NH2 ARG A 54 13.526 -7.690 -12.626 1.00 34.22 N ATOM 0 H ARG A 54 9.825 -4.802 -7.284 1.00 40.23 H new ATOM 0 HA ARG A 54 8.910 -3.091 -9.276 1.00 55.15 H new ATOM 0 HB2 ARG A 54 8.700 -6.096 -8.887 1.00 21.03 H new ATOM 0 HB3 ARG A 54 8.192 -5.301 -10.364 1.00 21.03 H new ATOM 0 HG2 ARG A 54 10.472 -4.476 -10.750 1.00 13.02 H new ATOM 0 HG3 ARG A 54 11.005 -5.147 -9.221 1.00 13.02 H new ATOM 0 HD2 ARG A 54 10.488 -7.420 -9.987 1.00 13.22 H new ATOM 0 HD3 ARG A 54 9.808 -6.797 -11.478 1.00 13.22 H new ATOM 0 HE ARG A 54 12.517 -5.884 -11.231 1.00 12.21 H new ATOM 0 HH11 ARG A 54 10.632 -8.823 -11.781 1.00 11.55 H new ATOM 0 HH12 ARG A 54 11.886 -9.583 -12.766 1.00 11.55 H new ATOM 0 HH21 ARG A 54 14.125 -6.873 -12.507 1.00 34.22 H new ATOM 0 HH22 ARG A 54 13.852 -8.486 -13.174 1.00 34.22 H new ATOM 898 N HIS A 55 6.521 -4.547 -7.539 1.00 23.52 N ATOM 899 CA HIS A 55 5.078 -4.587 -7.290 1.00 4.42 C ATOM 900 C HIS A 55 4.529 -3.191 -7.045 1.00 4.43 C ATOM 901 O HIS A 55 3.409 -2.885 -7.438 1.00 24.00 O ATOM 902 CB HIS A 55 4.744 -5.474 -6.091 1.00 34.15 C ATOM 903 CG HIS A 55 5.231 -6.884 -6.212 1.00 1.02 C ATOM 904 ND1 HIS A 55 5.749 -7.425 -7.373 1.00 14.01 N ATOM 905 CD2 HIS A 55 5.304 -7.861 -5.285 1.00 73.55 C ATOM 906 CE1 HIS A 55 6.121 -8.669 -7.144 1.00 51.14 C ATOM 907 NE2 HIS A 55 5.863 -8.958 -5.889 1.00 3.40 N ATOM 0 H HIS A 55 7.075 -5.088 -6.875 1.00 23.52 H new ATOM 0 HA HIS A 55 4.612 -5.007 -8.181 1.00 4.42 H new ATOM 0 HB2 HIS A 55 5.175 -5.029 -5.194 1.00 34.15 H new ATOM 0 HB3 HIS A 55 3.663 -5.486 -5.953 1.00 34.15 H new ATOM 0 HD2 HIS A 55 4.982 -7.792 -4.257 1.00 73.55 H new ATOM 0 HE1 HIS A 55 6.564 -9.338 -7.867 1.00 51.14 H new ATOM 0 HE2 HIS A 55 6.048 -9.853 -5.437 1.00 3.40 H new ATOM 916 N ILE A 56 5.323 -2.357 -6.380 1.00 3.31 N ATOM 917 CA ILE A 56 4.939 -0.971 -6.118 1.00 71.12 C ATOM 918 C ILE A 56 4.633 -0.242 -7.424 1.00 42.53 C ATOM 919 O ILE A 56 3.656 0.494 -7.524 1.00 21.15 O ATOM 920 CB ILE A 56 6.048 -0.216 -5.349 1.00 14.22 C ATOM 921 CG1 ILE A 56 6.288 -0.872 -3.986 1.00 24.20 C ATOM 922 CG2 ILE A 56 5.695 1.256 -5.177 1.00 25.14 C ATOM 923 CD1 ILE A 56 5.066 -0.891 -3.089 1.00 34.32 C ATOM 0 H ILE A 56 6.238 -2.616 -6.012 1.00 3.31 H new ATOM 0 HA ILE A 56 4.042 -0.991 -5.499 1.00 71.12 H new ATOM 0 HB ILE A 56 6.966 -0.274 -5.935 1.00 14.22 H new ATOM 0 HG12 ILE A 56 6.628 -1.896 -4.142 1.00 24.20 H new ATOM 0 HG13 ILE A 56 7.093 -0.343 -3.476 1.00 24.20 H new ATOM 0 HG21 ILE A 56 6.493 1.760 -4.633 1.00 25.14 H new ATOM 0 HG22 ILE A 56 5.575 1.718 -6.157 1.00 25.14 H new ATOM 0 HG23 ILE A 56 4.763 1.344 -4.618 1.00 25.14 H new ATOM 0 HD11 ILE A 56 5.316 -1.371 -2.143 1.00 34.32 H new ATOM 0 HD12 ILE A 56 4.737 0.131 -2.901 1.00 34.32 H new ATOM 0 HD13 ILE A 56 4.265 -1.446 -3.577 1.00 34.32 H new ATOM 935 N ASP A 57 5.456 -0.477 -8.433 1.00 42.10 N ATOM 936 CA ASP A 57 5.236 0.127 -9.739 1.00 52.00 C ATOM 937 C ASP A 57 4.007 -0.485 -10.401 1.00 22.25 C ATOM 938 O ASP A 57 3.194 0.224 -11.003 1.00 14.03 O ATOM 939 CB ASP A 57 6.467 -0.059 -10.626 1.00 23.52 C ATOM 940 CG ASP A 57 6.263 0.500 -12.019 1.00 20.51 C ATOM 941 OD1 ASP A 57 6.348 1.735 -12.187 1.00 73.33 O ATOM 942 OD2 ASP A 57 6.042 -0.298 -12.958 1.00 1.34 O ATOM 0 H ASP A 57 6.278 -1.078 -8.375 1.00 42.10 H new ATOM 0 HA ASP A 57 5.065 1.195 -9.605 1.00 52.00 H new ATOM 0 HB2 ASP A 57 7.323 0.431 -10.162 1.00 23.52 H new ATOM 0 HB3 ASP A 57 6.706 -1.120 -10.694 1.00 23.52 H new ATOM 947 N ASP A 58 3.868 -1.799 -10.261 1.00 74.42 N ATOM 948 CA ASP A 58 2.737 -2.532 -10.829 1.00 74.42 C ATOM 949 C ASP A 58 1.409 -2.055 -10.256 1.00 70.21 C ATOM 950 O ASP A 58 0.445 -1.847 -10.996 1.00 30.55 O ATOM 951 CB ASP A 58 2.881 -4.036 -10.577 1.00 20.40 C ATOM 952 CG ASP A 58 3.846 -4.711 -11.530 1.00 11.13 C ATOM 953 OD1 ASP A 58 5.066 -4.646 -11.296 1.00 0.21 O ATOM 954 OD2 ASP A 58 3.383 -5.328 -12.513 1.00 64.23 O ATOM 0 H ASP A 58 4.531 -2.385 -9.754 1.00 74.42 H new ATOM 0 HA ASP A 58 2.742 -2.339 -11.902 1.00 74.42 H new ATOM 0 HB2 ASP A 58 3.220 -4.196 -9.553 1.00 20.40 H new ATOM 0 HB3 ASP A 58 1.903 -4.508 -10.666 1.00 20.40 H new ATOM 959 N VAL A 59 1.350 -1.897 -8.937 1.00 53.22 N ATOM 960 CA VAL A 59 0.118 -1.477 -8.285 1.00 11.12 C ATOM 961 C VAL A 59 -0.228 -0.033 -8.643 1.00 24.34 C ATOM 962 O VAL A 59 -1.383 0.277 -8.920 1.00 43.30 O ATOM 963 CB VAL A 59 0.173 -1.653 -6.744 1.00 34.12 C ATOM 964 CG1 VAL A 59 1.306 -0.857 -6.120 1.00 31.11 C ATOM 965 CG2 VAL A 59 -1.151 -1.259 -6.115 1.00 72.35 C ATOM 0 H VAL A 59 2.135 -2.052 -8.305 1.00 53.22 H new ATOM 0 HA VAL A 59 -0.670 -2.131 -8.659 1.00 11.12 H new ATOM 0 HB VAL A 59 0.363 -2.708 -6.547 1.00 34.12 H new ATOM 0 HG11 VAL A 59 1.307 -1.010 -5.041 1.00 31.11 H new ATOM 0 HG12 VAL A 59 2.257 -1.192 -6.534 1.00 31.11 H new ATOM 0 HG13 VAL A 59 1.169 0.202 -6.336 1.00 31.11 H new ATOM 0 HG21 VAL A 59 -1.093 -1.389 -5.034 1.00 72.35 H new ATOM 0 HG22 VAL A 59 -1.366 -0.215 -6.344 1.00 72.35 H new ATOM 0 HG23 VAL A 59 -1.945 -1.889 -6.514 1.00 72.35 H new ATOM 975 N LEU A 60 0.776 0.839 -8.676 1.00 21.21 N ATOM 976 CA LEU A 60 0.551 2.237 -9.032 1.00 71.25 C ATOM 977 C LEU A 60 0.045 2.349 -10.464 1.00 61.13 C ATOM 978 O LEU A 60 -0.764 3.216 -10.780 1.00 2.31 O ATOM 979 CB LEU A 60 1.831 3.057 -8.864 1.00 4.31 C ATOM 980 CG LEU A 60 2.362 3.157 -7.433 1.00 11.02 C ATOM 981 CD1 LEU A 60 3.650 3.965 -7.404 1.00 1.13 C ATOM 982 CD2 LEU A 60 1.321 3.780 -6.514 1.00 52.01 C ATOM 0 H LEU A 60 1.746 0.605 -8.463 1.00 21.21 H new ATOM 0 HA LEU A 60 -0.206 2.637 -8.358 1.00 71.25 H new ATOM 0 HB2 LEU A 60 2.607 2.620 -9.492 1.00 4.31 H new ATOM 0 HB3 LEU A 60 1.649 4.065 -9.237 1.00 4.31 H new ATOM 0 HG LEU A 60 2.574 2.150 -7.073 1.00 11.02 H new ATOM 0 HD11 LEU A 60 4.017 4.028 -6.380 1.00 1.13 H new ATOM 0 HD12 LEU A 60 4.399 3.478 -8.028 1.00 1.13 H new ATOM 0 HD13 LEU A 60 3.458 4.969 -7.783 1.00 1.13 H new ATOM 0 HD21 LEU A 60 1.720 3.841 -5.501 1.00 52.01 H new ATOM 0 HD22 LEU A 60 1.075 4.781 -6.869 1.00 52.01 H new ATOM 0 HD23 LEU A 60 0.422 3.164 -6.513 1.00 52.01 H new ATOM 994 N LYS A 61 0.509 1.453 -11.321 1.00 75.04 N ATOM 995 CA LYS A 61 0.066 1.418 -12.700 1.00 35.11 C ATOM 996 C LYS A 61 -1.393 0.964 -12.776 1.00 2.30 C ATOM 997 O LYS A 61 -2.164 1.447 -13.607 1.00 13.25 O ATOM 998 CB LYS A 61 1.000 0.499 -13.502 1.00 1.33 C ATOM 999 CG LYS A 61 0.511 0.149 -14.897 1.00 55.22 C ATOM 1000 CD LYS A 61 -0.262 -1.161 -14.900 1.00 62.02 C ATOM 1001 CE LYS A 61 0.625 -2.340 -14.526 1.00 61.02 C ATOM 1002 NZ LYS A 61 1.680 -2.594 -15.543 1.00 23.12 N ATOM 0 H LYS A 61 1.196 0.738 -11.081 1.00 75.04 H new ATOM 0 HA LYS A 61 0.112 2.416 -13.136 1.00 35.11 H new ATOM 0 HB2 LYS A 61 1.975 0.979 -13.585 1.00 1.33 H new ATOM 0 HB3 LYS A 61 1.146 -0.425 -12.942 1.00 1.33 H new ATOM 0 HG2 LYS A 61 -0.125 0.950 -15.273 1.00 55.22 H new ATOM 0 HG3 LYS A 61 1.362 0.073 -15.574 1.00 55.22 H new ATOM 0 HD2 LYS A 61 -1.093 -1.094 -14.198 1.00 62.02 H new ATOM 0 HD3 LYS A 61 -0.691 -1.328 -15.888 1.00 62.02 H new ATOM 0 HE2 LYS A 61 1.092 -2.149 -13.560 1.00 61.02 H new ATOM 0 HE3 LYS A 61 0.010 -3.233 -14.412 1.00 61.02 H new ATOM 0 HZ1 LYS A 61 2.138 -3.507 -15.348 1.00 23.12 H new ATOM 0 HZ2 LYS A 61 1.251 -2.618 -16.490 1.00 23.12 H new ATOM 0 HZ3 LYS A 61 2.390 -1.835 -15.504 1.00 23.12 H new ATOM 1016 N ALA A 62 -1.770 0.060 -11.881 1.00 0.43 N ATOM 1017 CA ALA A 62 -3.129 -0.458 -11.838 1.00 13.52 C ATOM 1018 C ALA A 62 -4.089 0.569 -11.242 1.00 1.31 C ATOM 1019 O ALA A 62 -5.209 0.741 -11.722 1.00 20.10 O ATOM 1020 CB ALA A 62 -3.176 -1.754 -11.044 1.00 31.15 C ATOM 0 H ALA A 62 -1.149 -0.331 -11.172 1.00 0.43 H new ATOM 0 HA ALA A 62 -3.447 -0.662 -12.860 1.00 13.52 H new ATOM 0 HB1 ALA A 62 -4.199 -2.129 -11.021 1.00 31.15 H new ATOM 0 HB2 ALA A 62 -2.529 -2.493 -11.516 1.00 31.15 H new ATOM 0 HB3 ALA A 62 -2.834 -1.569 -10.026 1.00 31.15 H new ATOM 1026 N VAL A 63 -3.645 1.260 -10.200 1.00 13.10 N ATOM 1027 CA VAL A 63 -4.478 2.262 -9.550 1.00 51.12 C ATOM 1028 C VAL A 63 -4.558 3.536 -10.390 1.00 41.15 C ATOM 1029 O VAL A 63 -5.478 4.339 -10.231 1.00 21.01 O ATOM 1030 CB VAL A 63 -3.977 2.601 -8.127 1.00 74.43 C ATOM 1031 CG1 VAL A 63 -3.952 1.350 -7.262 1.00 23.23 C ATOM 1032 CG2 VAL A 63 -2.607 3.260 -8.161 1.00 0.21 C ATOM 0 H VAL A 63 -2.718 1.146 -9.789 1.00 13.10 H new ATOM 0 HA VAL A 63 -5.475 1.831 -9.460 1.00 51.12 H new ATOM 0 HB VAL A 63 -4.674 3.315 -7.688 1.00 74.43 H new ATOM 0 HG11 VAL A 63 -3.597 1.605 -6.263 1.00 23.23 H new ATOM 0 HG12 VAL A 63 -4.957 0.934 -7.195 1.00 23.23 H new ATOM 0 HG13 VAL A 63 -3.284 0.613 -7.707 1.00 23.23 H new ATOM 0 HG21 VAL A 63 -2.286 3.484 -7.144 1.00 0.21 H new ATOM 0 HG22 VAL A 63 -1.890 2.584 -8.627 1.00 0.21 H new ATOM 0 HG23 VAL A 63 -2.662 4.184 -8.736 1.00 0.21 H new ATOM 1042 N MET A 64 -3.587 3.709 -11.277 1.00 75.53 N ATOM 1043 CA MET A 64 -3.552 4.859 -12.172 1.00 63.21 C ATOM 1044 C MET A 64 -4.527 4.681 -13.333 1.00 30.53 C ATOM 1045 O MET A 64 -5.297 5.585 -13.650 1.00 1.34 O ATOM 1046 CB MET A 64 -2.136 5.059 -12.716 1.00 5.25 C ATOM 1047 CG MET A 64 -1.990 6.266 -13.629 1.00 72.23 C ATOM 1048 SD MET A 64 -0.324 6.427 -14.306 1.00 33.33 S ATOM 1049 CE MET A 64 0.654 6.511 -12.807 1.00 33.11 C ATOM 0 H MET A 64 -2.807 3.062 -11.396 1.00 75.53 H new ATOM 0 HA MET A 64 -3.850 5.739 -11.602 1.00 63.21 H new ATOM 0 HB2 MET A 64 -1.447 5.165 -11.878 1.00 5.25 H new ATOM 0 HB3 MET A 64 -1.838 4.164 -13.263 1.00 5.25 H new ATOM 0 HG2 MET A 64 -2.705 6.186 -14.448 1.00 72.23 H new ATOM 0 HG3 MET A 64 -2.241 7.170 -13.074 1.00 72.23 H new ATOM 0 HE1 MET A 64 1.623 6.957 -13.030 1.00 33.11 H new ATOM 0 HE2 MET A 64 0.135 7.121 -12.068 1.00 33.11 H new ATOM 0 HE3 MET A 64 0.799 5.506 -12.411 1.00 33.11 H new ATOM 1059 N LYS A 65 -4.493 3.503 -13.950 1.00 61.41 N ATOM 1060 CA LYS A 65 -5.272 3.237 -15.162 1.00 54.23 C ATOM 1061 C LYS A 65 -6.769 3.336 -14.908 1.00 45.03 C ATOM 1062 O LYS A 65 -7.527 3.786 -15.765 1.00 12.43 O ATOM 1063 CB LYS A 65 -4.930 1.854 -15.714 1.00 12.34 C ATOM 1064 CG LYS A 65 -5.346 0.704 -14.815 1.00 0.55 C ATOM 1065 CD LYS A 65 -4.792 -0.619 -15.310 1.00 24.30 C ATOM 1066 CE LYS A 65 -5.303 -0.966 -16.698 1.00 72.21 C ATOM 1067 NZ LYS A 65 -4.706 -2.232 -17.193 1.00 24.42 N ATOM 0 H LYS A 65 -3.933 2.713 -13.631 1.00 61.41 H new ATOM 0 HA LYS A 65 -5.008 3.999 -15.895 1.00 54.23 H new ATOM 0 HB2 LYS A 65 -5.411 1.734 -16.685 1.00 12.34 H new ATOM 0 HB3 LYS A 65 -3.854 1.798 -15.882 1.00 12.34 H new ATOM 0 HG2 LYS A 65 -4.995 0.889 -13.800 1.00 0.55 H new ATOM 0 HG3 LYS A 65 -6.434 0.650 -14.771 1.00 0.55 H new ATOM 0 HD2 LYS A 65 -3.703 -0.573 -15.326 1.00 24.30 H new ATOM 0 HD3 LYS A 65 -5.068 -1.411 -14.614 1.00 24.30 H new ATOM 0 HE2 LYS A 65 -6.389 -1.058 -16.675 1.00 72.21 H new ATOM 0 HE3 LYS A 65 -5.066 -0.156 -17.388 1.00 72.21 H new ATOM 0 HZ1 LYS A 65 -5.075 -2.442 -18.143 1.00 24.42 H new ATOM 0 HZ2 LYS A 65 -3.672 -2.134 -17.237 1.00 24.42 H new ATOM 0 HZ3 LYS A 65 -4.953 -3.008 -16.547 1.00 24.42 H new ATOM 1081 N ARG A 66 -7.184 2.902 -13.728 1.00 33.14 N ATOM 1082 CA ARG A 66 -8.594 2.922 -13.354 1.00 41.43 C ATOM 1083 C ARG A 66 -9.089 4.342 -13.095 1.00 42.40 C ATOM 1084 O ARG A 66 -10.293 4.572 -12.974 1.00 51.44 O ATOM 1085 CB ARG A 66 -8.839 2.066 -12.113 1.00 71.51 C ATOM 1086 CG ARG A 66 -8.036 2.505 -10.903 1.00 72.12 C ATOM 1087 CD ARG A 66 -8.679 2.040 -9.611 1.00 71.00 C ATOM 1088 NE ARG A 66 -8.767 0.584 -9.509 1.00 41.21 N ATOM 1089 CZ ARG A 66 -9.881 -0.066 -9.178 1.00 2.41 C ATOM 1090 NH1 ARG A 66 -11.004 0.608 -8.966 1.00 41.43 N ATOM 1091 NH2 ARG A 66 -9.870 -1.388 -9.060 1.00 72.22 N ATOM 0 H ARG A 66 -6.564 2.530 -13.009 1.00 33.14 H new ATOM 0 HA ARG A 66 -9.152 2.509 -14.195 1.00 41.43 H new ATOM 0 HB2 ARG A 66 -9.900 2.096 -11.865 1.00 71.51 H new ATOM 0 HB3 ARG A 66 -8.595 1.029 -12.343 1.00 71.51 H new ATOM 0 HG2 ARG A 66 -7.024 2.105 -10.972 1.00 72.12 H new ATOM 0 HG3 ARG A 66 -7.949 3.592 -10.897 1.00 72.12 H new ATOM 0 HD2 ARG A 66 -8.105 2.424 -8.767 1.00 71.00 H new ATOM 0 HD3 ARG A 66 -9.680 2.465 -9.536 1.00 71.00 H new ATOM 0 HE ARG A 66 -7.929 0.036 -9.702 1.00 41.21 H new ATOM 0 HH11 ARG A 66 -11.014 1.624 -9.057 1.00 41.43 H new ATOM 0 HH12 ARG A 66 -11.857 0.110 -8.712 1.00 41.43 H new ATOM 0 HH21 ARG A 66 -9.007 -1.907 -9.223 1.00 72.22 H new ATOM 0 HH22 ARG A 66 -10.724 -1.885 -8.806 1.00 72.22 H new ATOM 1105 N GLY A 67 -8.166 5.289 -13.003 1.00 2.43 N ATOM 1106 CA GLY A 67 -8.537 6.661 -12.725 1.00 22.32 C ATOM 1107 C GLY A 67 -7.534 7.650 -13.281 1.00 64.23 C ATOM 1108 O GLY A 67 -7.458 7.850 -14.492 1.00 53.23 O ATOM 0 H GLY A 67 -7.165 5.131 -13.116 1.00 2.43 H new ATOM 0 HA2 GLY A 67 -9.519 6.863 -13.152 1.00 22.32 H new ATOM 0 HA3 GLY A 67 -8.623 6.801 -11.647 1.00 22.32 H new ATOM 1112 N ALA A 68 -6.754 8.255 -12.399 1.00 53.13 N ATOM 1113 CA ALA A 68 -5.772 9.250 -12.798 1.00 72.15 C ATOM 1114 C ALA A 68 -4.472 9.060 -12.021 1.00 0.54 C ATOM 1115 O ALA A 68 -4.483 8.518 -10.913 1.00 73.41 O ATOM 1116 CB ALA A 68 -6.329 10.651 -12.579 1.00 53.44 C ATOM 0 H ALA A 68 -6.783 8.072 -11.396 1.00 53.13 H new ATOM 0 HA ALA A 68 -5.555 9.123 -13.859 1.00 72.15 H new ATOM 0 HB1 ALA A 68 -5.586 11.389 -12.881 1.00 53.44 H new ATOM 0 HB2 ALA A 68 -7.232 10.781 -13.175 1.00 53.44 H new ATOM 0 HB3 ALA A 68 -6.568 10.787 -11.524 1.00 53.44 H new ATOM 1122 N PRO A 69 -3.334 9.499 -12.590 1.00 42.13 N ATOM 1123 CA PRO A 69 -2.020 9.393 -11.937 1.00 52.21 C ATOM 1124 C PRO A 69 -1.951 10.192 -10.638 1.00 60.12 C ATOM 1125 O PRO A 69 -1.075 9.964 -9.803 1.00 20.51 O ATOM 1126 CB PRO A 69 -1.048 9.973 -12.973 1.00 52.10 C ATOM 1127 CG PRO A 69 -1.893 10.796 -13.882 1.00 54.12 C ATOM 1128 CD PRO A 69 -3.231 10.115 -13.926 1.00 72.23 C ATOM 0 HA PRO A 69 -1.793 8.365 -11.654 1.00 52.21 H new ATOM 0 HB2 PRO A 69 -0.278 10.579 -12.495 1.00 52.10 H new ATOM 0 HB3 PRO A 69 -0.537 9.181 -13.520 1.00 52.10 H new ATOM 0 HG2 PRO A 69 -1.986 11.817 -13.512 1.00 54.12 H new ATOM 0 HG3 PRO A 69 -1.452 10.857 -14.877 1.00 54.12 H new ATOM 0 HD2 PRO A 69 -4.039 10.824 -14.107 1.00 72.23 H new ATOM 0 HD3 PRO A 69 -3.278 9.369 -14.719 1.00 72.23 H new ATOM 1136 N SER A 70 -2.892 11.116 -10.476 1.00 73.44 N ATOM 1137 CA SER A 70 -2.961 11.964 -9.295 1.00 41.53 C ATOM 1138 C SER A 70 -3.190 11.130 -8.034 1.00 61.01 C ATOM 1139 O SER A 70 -2.764 11.504 -6.942 1.00 53.32 O ATOM 1140 CB SER A 70 -4.092 12.976 -9.469 1.00 51.21 C ATOM 1141 OG SER A 70 -4.069 13.539 -10.772 1.00 34.03 O ATOM 0 H SER A 70 -3.627 11.297 -11.160 1.00 73.44 H new ATOM 0 HA SER A 70 -2.012 12.488 -9.182 1.00 41.53 H new ATOM 0 HB2 SER A 70 -5.052 12.489 -9.295 1.00 51.21 H new ATOM 0 HB3 SER A 70 -3.996 13.767 -8.725 1.00 51.21 H new ATOM 0 HG SER A 70 -4.802 14.183 -10.863 1.00 34.03 H new ATOM 1147 N ILE A 71 -3.872 9.999 -8.193 1.00 44.25 N ATOM 1148 CA ILE A 71 -4.132 9.101 -7.077 1.00 34.21 C ATOM 1149 C ILE A 71 -2.875 8.307 -6.729 1.00 64.14 C ATOM 1150 O ILE A 71 -2.563 8.101 -5.557 1.00 13.44 O ATOM 1151 CB ILE A 71 -5.297 8.116 -7.372 1.00 25.31 C ATOM 1152 CG1 ILE A 71 -6.637 8.857 -7.495 1.00 72.14 C ATOM 1153 CG2 ILE A 71 -5.394 7.051 -6.286 1.00 3.13 C ATOM 1154 CD1 ILE A 71 -6.815 9.622 -8.790 1.00 42.20 C ATOM 0 H ILE A 71 -4.254 9.685 -9.085 1.00 44.25 H new ATOM 0 HA ILE A 71 -4.424 9.724 -6.232 1.00 34.21 H new ATOM 0 HB ILE A 71 -5.081 7.632 -8.325 1.00 25.31 H new ATOM 0 HG12 ILE A 71 -7.447 8.134 -7.400 1.00 72.14 H new ATOM 0 HG13 ILE A 71 -6.731 9.552 -6.661 1.00 72.14 H new ATOM 0 HG21 ILE A 71 -6.216 6.373 -6.514 1.00 3.13 H new ATOM 0 HG22 ILE A 71 -4.461 6.489 -6.244 1.00 3.13 H new ATOM 0 HG23 ILE A 71 -5.574 7.529 -5.323 1.00 3.13 H new ATOM 0 HD11 ILE A 71 -7.788 10.114 -8.791 1.00 42.20 H new ATOM 0 HD12 ILE A 71 -6.029 10.372 -8.881 1.00 42.20 H new ATOM 0 HD13 ILE A 71 -6.757 8.932 -9.631 1.00 42.20 H new ATOM 1166 N ALA A 72 -2.142 7.906 -7.767 1.00 10.25 N ATOM 1167 CA ALA A 72 -0.979 7.033 -7.615 1.00 22.23 C ATOM 1168 C ALA A 72 0.060 7.631 -6.673 1.00 44.03 C ATOM 1169 O ALA A 72 0.485 6.982 -5.720 1.00 31.22 O ATOM 1170 CB ALA A 72 -0.357 6.741 -8.973 1.00 64.00 C ATOM 0 H ALA A 72 -2.336 8.175 -8.731 1.00 10.25 H new ATOM 0 HA ALA A 72 -1.324 6.099 -7.172 1.00 22.23 H new ATOM 0 HB1 ALA A 72 0.508 6.090 -8.845 1.00 64.00 H new ATOM 0 HB2 ALA A 72 -1.091 6.248 -9.611 1.00 64.00 H new ATOM 0 HB3 ALA A 72 -0.042 7.675 -9.437 1.00 64.00 H new ATOM 1176 N ASN A 73 0.449 8.876 -6.929 1.00 50.22 N ATOM 1177 CA ASN A 73 1.470 9.540 -6.117 1.00 33.15 C ATOM 1178 C ASN A 73 0.990 9.753 -4.684 1.00 41.34 C ATOM 1179 O ASN A 73 1.797 9.850 -3.759 1.00 62.24 O ATOM 1180 CB ASN A 73 1.902 10.878 -6.739 1.00 15.41 C ATOM 1181 CG ASN A 73 0.776 11.892 -6.850 1.00 41.52 C ATOM 1182 OD1 ASN A 73 0.062 11.933 -7.853 1.00 74.12 O ATOM 1183 ND2 ASN A 73 0.622 12.731 -5.838 1.00 31.23 N ATOM 0 H ASN A 73 0.076 9.446 -7.688 1.00 50.22 H new ATOM 0 HA ASN A 73 2.337 8.880 -6.093 1.00 33.15 H new ATOM 0 HB2 ASN A 73 2.706 11.305 -6.139 1.00 15.41 H new ATOM 0 HB3 ASN A 73 2.310 10.692 -7.732 1.00 15.41 H new ATOM 0 HD21 ASN A 73 -0.108 13.443 -5.872 1.00 31.23 H new ATOM 0 HD22 ASN A 73 1.233 12.666 -5.024 1.00 31.23 H new ATOM 1190 N ASP A 74 -0.322 9.826 -4.503 1.00 22.12 N ATOM 1191 CA ASP A 74 -0.900 10.036 -3.182 1.00 50.11 C ATOM 1192 C ASP A 74 -0.828 8.753 -2.354 1.00 51.24 C ATOM 1193 O ASP A 74 -0.590 8.793 -1.146 1.00 51.21 O ATOM 1194 CB ASP A 74 -2.350 10.509 -3.303 1.00 11.35 C ATOM 1195 CG ASP A 74 -2.946 10.896 -1.966 1.00 34.02 C ATOM 1196 OD1 ASP A 74 -2.589 11.979 -1.448 1.00 61.34 O ATOM 1197 OD2 ASP A 74 -3.771 10.128 -1.429 1.00 12.43 O ATOM 0 H ASP A 74 -1.007 9.743 -5.255 1.00 22.12 H new ATOM 0 HA ASP A 74 -0.323 10.808 -2.673 1.00 50.11 H new ATOM 0 HB2 ASP A 74 -2.395 11.363 -3.978 1.00 11.35 H new ATOM 0 HB3 ASP A 74 -2.951 9.717 -3.750 1.00 11.35 H new ATOM 1202 N THR A 75 -1.014 7.619 -3.023 1.00 62.01 N ATOM 1203 CA THR A 75 -0.929 6.306 -2.386 1.00 35.23 C ATOM 1204 C THR A 75 0.445 6.085 -1.740 1.00 1.42 C ATOM 1205 O THR A 75 0.561 5.393 -0.724 1.00 51.14 O ATOM 1206 CB THR A 75 -1.211 5.193 -3.417 1.00 60.22 C ATOM 1207 OG1 THR A 75 -2.422 5.494 -4.126 1.00 52.44 O ATOM 1208 CG2 THR A 75 -1.339 3.835 -2.739 1.00 51.22 C ATOM 0 H THR A 75 -1.227 7.583 -4.020 1.00 62.01 H new ATOM 0 HA THR A 75 -1.683 6.268 -1.600 1.00 35.23 H new ATOM 0 HB THR A 75 -0.373 5.149 -4.113 1.00 60.22 H new ATOM 0 HG1 THR A 75 -2.940 4.672 -4.253 1.00 52.44 H new ATOM 0 HG21 THR A 75 -1.538 3.071 -3.490 1.00 51.22 H new ATOM 0 HG22 THR A 75 -0.411 3.599 -2.218 1.00 51.22 H new ATOM 0 HG23 THR A 75 -2.160 3.862 -2.023 1.00 51.22 H new ATOM 1216 N LEU A 76 1.474 6.692 -2.332 1.00 33.13 N ATOM 1217 CA LEU A 76 2.850 6.576 -1.838 1.00 21.24 C ATOM 1218 C LEU A 76 2.951 6.903 -0.355 1.00 62.44 C ATOM 1219 O LEU A 76 3.627 6.197 0.395 1.00 14.13 O ATOM 1220 CB LEU A 76 3.776 7.518 -2.603 1.00 4.30 C ATOM 1221 CG LEU A 76 4.428 6.954 -3.865 1.00 40.23 C ATOM 1222 CD1 LEU A 76 5.342 5.787 -3.526 1.00 71.41 C ATOM 1223 CD2 LEU A 76 3.387 6.524 -4.878 1.00 43.52 C ATOM 0 H LEU A 76 1.380 7.275 -3.163 1.00 33.13 H new ATOM 0 HA LEU A 76 3.152 5.540 -1.993 1.00 21.24 H new ATOM 0 HB2 LEU A 76 3.207 8.406 -2.880 1.00 4.30 H new ATOM 0 HB3 LEU A 76 4.566 7.844 -1.927 1.00 4.30 H new ATOM 0 HG LEU A 76 5.026 7.750 -4.308 1.00 40.23 H new ATOM 0 HD11 LEU A 76 5.795 5.402 -4.440 1.00 71.41 H new ATOM 0 HD12 LEU A 76 6.125 6.124 -2.847 1.00 71.41 H new ATOM 0 HD13 LEU A 76 4.762 4.998 -3.048 1.00 71.41 H new ATOM 0 HD21 LEU A 76 3.883 6.128 -5.764 1.00 43.52 H new ATOM 0 HD22 LEU A 76 2.752 5.753 -4.442 1.00 43.52 H new ATOM 0 HD23 LEU A 76 2.776 7.382 -5.158 1.00 43.52 H new ATOM 1235 N ARG A 77 2.292 7.987 0.054 1.00 32.24 N ATOM 1236 CA ARG A 77 2.292 8.407 1.459 1.00 1.10 C ATOM 1237 C ARG A 77 1.894 7.245 2.357 1.00 41.13 C ATOM 1238 O ARG A 77 2.548 6.954 3.357 1.00 24.22 O ATOM 1239 CB ARG A 77 1.293 9.537 1.721 1.00 10.42 C ATOM 1240 CG ARG A 77 1.196 10.600 0.645 1.00 34.12 C ATOM 1241 CD ARG A 77 0.219 11.684 1.073 1.00 30.15 C ATOM 1242 NE ARG A 77 -0.305 12.454 -0.050 1.00 35.24 N ATOM 1243 CZ ARG A 77 0.030 13.713 -0.312 1.00 53.41 C ATOM 1244 NH1 ARG A 77 0.940 14.332 0.431 1.00 4.33 N ATOM 1245 NH2 ARG A 77 -0.549 14.350 -1.318 1.00 21.10 N ATOM 0 H ARG A 77 1.751 8.591 -0.565 1.00 32.24 H new ATOM 0 HA ARG A 77 3.303 8.752 1.677 1.00 1.10 H new ATOM 0 HB2 ARG A 77 0.305 9.097 1.860 1.00 10.42 H new ATOM 0 HB3 ARG A 77 1.561 10.022 2.660 1.00 10.42 H new ATOM 0 HG2 ARG A 77 2.178 11.035 0.463 1.00 34.12 H new ATOM 0 HG3 ARG A 77 0.867 10.152 -0.292 1.00 34.12 H new ATOM 0 HD2 ARG A 77 -0.611 11.226 1.611 1.00 30.15 H new ATOM 0 HD3 ARG A 77 0.716 12.359 1.769 1.00 30.15 H new ATOM 0 HE ARG A 77 -0.971 11.997 -0.673 1.00 35.24 H new ATOM 0 HH11 ARG A 77 1.385 13.841 1.206 1.00 4.33 H new ATOM 0 HH12 ARG A 77 1.194 15.298 0.226 1.00 4.33 H new ATOM 0 HH21 ARG A 77 -1.249 13.874 -1.888 1.00 21.10 H new ATOM 0 HH22 ARG A 77 -0.295 15.316 -1.523 1.00 21.10 H new ATOM 1259 N TRP A 78 0.804 6.596 1.980 1.00 21.21 N ATOM 1260 CA TRP A 78 0.228 5.527 2.773 1.00 1.43 C ATOM 1261 C TRP A 78 1.113 4.284 2.732 1.00 32.22 C ATOM 1262 O TRP A 78 1.244 3.567 3.727 1.00 22.10 O ATOM 1263 CB TRP A 78 -1.175 5.212 2.250 1.00 54.05 C ATOM 1264 CG TRP A 78 -2.027 4.485 3.239 1.00 32.22 C ATOM 1265 CD1 TRP A 78 -2.387 3.173 3.202 1.00 72.41 C ATOM 1266 CD2 TRP A 78 -2.624 5.037 4.417 1.00 51.03 C ATOM 1267 NE1 TRP A 78 -3.172 2.870 4.286 1.00 25.51 N ATOM 1268 CE2 TRP A 78 -3.332 3.999 5.047 1.00 30.51 C ATOM 1269 CE3 TRP A 78 -2.629 6.308 4.999 1.00 22.35 C ATOM 1270 CZ2 TRP A 78 -4.034 4.194 6.232 1.00 61.04 C ATOM 1271 CZ3 TRP A 78 -3.326 6.499 6.176 1.00 63.13 C ATOM 1272 CH2 TRP A 78 -4.021 5.446 6.780 1.00 24.15 C ATOM 0 H TRP A 78 0.297 6.796 1.118 1.00 21.21 H new ATOM 0 HA TRP A 78 0.160 5.848 3.812 1.00 1.43 H new ATOM 0 HB2 TRP A 78 -1.668 6.143 1.971 1.00 54.05 H new ATOM 0 HB3 TRP A 78 -1.091 4.612 1.344 1.00 54.05 H new ATOM 0 HD1 TRP A 78 -2.097 2.473 2.432 1.00 72.41 H new ATOM 0 HE1 TRP A 78 -3.571 1.954 4.492 1.00 25.51 H new ATOM 0 HE3 TRP A 78 -2.097 7.126 4.536 1.00 22.35 H new ATOM 0 HZ2 TRP A 78 -4.571 3.384 6.703 1.00 61.04 H new ATOM 0 HZ3 TRP A 78 -3.335 7.476 6.637 1.00 63.13 H new ATOM 0 HH2 TRP A 78 -4.559 5.626 7.699 1.00 24.15 H new ATOM 1283 N LEU A 79 1.736 4.050 1.585 1.00 44.44 N ATOM 1284 CA LEU A 79 2.620 2.904 1.406 1.00 34.40 C ATOM 1285 C LEU A 79 3.819 2.978 2.348 1.00 4.21 C ATOM 1286 O LEU A 79 4.075 2.047 3.115 1.00 14.12 O ATOM 1287 CB LEU A 79 3.113 2.829 -0.043 1.00 51.44 C ATOM 1288 CG LEU A 79 2.033 2.576 -1.095 1.00 10.42 C ATOM 1289 CD1 LEU A 79 2.621 2.686 -2.494 1.00 52.32 C ATOM 1290 CD2 LEU A 79 1.407 1.206 -0.889 1.00 33.52 C ATOM 0 H LEU A 79 1.645 4.642 0.759 1.00 44.44 H new ATOM 0 HA LEU A 79 2.048 2.007 1.641 1.00 34.40 H new ATOM 0 HB2 LEU A 79 3.619 3.764 -0.285 1.00 51.44 H new ATOM 0 HB3 LEU A 79 3.857 2.036 -0.114 1.00 51.44 H new ATOM 0 HG LEU A 79 1.256 3.333 -0.986 1.00 10.42 H new ATOM 0 HD11 LEU A 79 1.840 2.503 -3.232 1.00 52.32 H new ATOM 0 HD12 LEU A 79 3.031 3.686 -2.639 1.00 52.32 H new ATOM 0 HD13 LEU A 79 3.414 1.948 -2.614 1.00 52.32 H new ATOM 0 HD21 LEU A 79 0.640 1.039 -1.645 1.00 33.52 H new ATOM 0 HD22 LEU A 79 2.176 0.438 -0.976 1.00 33.52 H new ATOM 0 HD23 LEU A 79 0.956 1.157 0.102 1.00 33.52 H new ATOM 1302 N LYS A 80 4.533 4.096 2.308 1.00 74.33 N ATOM 1303 CA LYS A 80 5.781 4.223 3.049 1.00 42.45 C ATOM 1304 C LYS A 80 5.558 4.187 4.560 1.00 24.52 C ATOM 1305 O LYS A 80 6.399 3.669 5.289 1.00 31.33 O ATOM 1306 CB LYS A 80 6.558 5.482 2.621 1.00 10.15 C ATOM 1307 CG LYS A 80 5.776 6.790 2.696 1.00 11.54 C ATOM 1308 CD LYS A 80 5.827 7.426 4.081 1.00 61.30 C ATOM 1309 CE LYS A 80 7.250 7.769 4.497 1.00 51.03 C ATOM 1310 NZ LYS A 80 7.286 8.566 5.753 1.00 52.45 N ATOM 0 H LYS A 80 4.271 4.924 1.773 1.00 74.33 H new ATOM 0 HA LYS A 80 6.392 3.355 2.800 1.00 42.45 H new ATOM 0 HB2 LYS A 80 7.445 5.572 3.248 1.00 10.15 H new ATOM 0 HB3 LYS A 80 6.905 5.344 1.597 1.00 10.15 H new ATOM 0 HG2 LYS A 80 6.177 7.491 1.964 1.00 11.54 H new ATOM 0 HG3 LYS A 80 4.737 6.604 2.424 1.00 11.54 H new ATOM 0 HD2 LYS A 80 5.219 8.331 4.087 1.00 61.30 H new ATOM 0 HD3 LYS A 80 5.390 6.743 4.810 1.00 61.30 H new ATOM 0 HE2 LYS A 80 7.819 6.850 4.634 1.00 51.03 H new ATOM 0 HE3 LYS A 80 7.736 8.329 3.698 1.00 51.03 H new ATOM 0 HZ1 LYS A 80 8.273 8.778 6.001 1.00 52.45 H new ATOM 0 HZ2 LYS A 80 6.765 9.455 5.615 1.00 52.45 H new ATOM 0 HZ3 LYS A 80 6.845 8.022 6.522 1.00 52.45 H new ATOM 1324 N ARG A 81 4.430 4.714 5.035 1.00 10.14 N ATOM 1325 CA ARG A 81 4.151 4.705 6.471 1.00 45.12 C ATOM 1326 C ARG A 81 3.772 3.299 6.935 1.00 14.21 C ATOM 1327 O ARG A 81 4.133 2.880 8.036 1.00 73.30 O ATOM 1328 CB ARG A 81 3.053 5.712 6.847 1.00 33.32 C ATOM 1329 CG ARG A 81 1.675 5.395 6.298 1.00 52.34 C ATOM 1330 CD ARG A 81 0.699 6.517 6.612 1.00 74.14 C ATOM 1331 NE ARG A 81 0.766 6.925 8.017 1.00 25.21 N ATOM 1332 CZ ARG A 81 0.074 7.939 8.538 1.00 20.42 C ATOM 1333 NH1 ARG A 81 -0.785 8.620 7.787 1.00 23.22 N ATOM 1334 NH2 ARG A 81 0.245 8.271 9.811 1.00 21.32 N ATOM 0 H ARG A 81 3.707 5.145 4.459 1.00 10.14 H new ATOM 0 HA ARG A 81 5.063 5.011 6.983 1.00 45.12 H new ATOM 0 HB2 ARG A 81 2.990 5.769 7.934 1.00 33.32 H new ATOM 0 HB3 ARG A 81 3.350 6.699 6.493 1.00 33.32 H new ATOM 0 HG2 ARG A 81 1.733 5.248 5.219 1.00 52.34 H new ATOM 0 HG3 ARG A 81 1.313 4.461 6.728 1.00 52.34 H new ATOM 0 HD2 ARG A 81 0.915 7.374 5.975 1.00 74.14 H new ATOM 0 HD3 ARG A 81 -0.315 6.192 6.377 1.00 74.14 H new ATOM 0 HE ARG A 81 1.382 6.399 8.637 1.00 25.21 H new ATOM 0 HH11 ARG A 81 -0.917 8.368 6.808 1.00 23.22 H new ATOM 0 HH12 ARG A 81 -1.312 9.395 8.190 1.00 23.22 H new ATOM 0 HH21 ARG A 81 0.905 7.751 10.389 1.00 21.32 H new ATOM 0 HH22 ARG A 81 -0.283 9.046 10.211 1.00 21.32 H new ATOM 1348 N MET A 82 3.069 2.566 6.076 1.00 52.30 N ATOM 1349 CA MET A 82 2.643 1.210 6.394 1.00 41.44 C ATOM 1350 C MET A 82 3.846 0.281 6.479 1.00 12.23 C ATOM 1351 O MET A 82 3.994 -0.474 7.441 1.00 42.21 O ATOM 1352 CB MET A 82 1.658 0.695 5.341 1.00 71.42 C ATOM 1353 CG MET A 82 1.123 -0.700 5.634 1.00 50.25 C ATOM 1354 SD MET A 82 0.007 -1.304 4.353 1.00 31.21 S ATOM 1355 CE MET A 82 1.102 -1.330 2.934 1.00 32.41 C ATOM 0 H MET A 82 2.783 2.891 5.153 1.00 52.30 H new ATOM 0 HA MET A 82 2.143 1.228 7.362 1.00 41.44 H new ATOM 0 HB2 MET A 82 0.820 1.388 5.270 1.00 71.42 H new ATOM 0 HB3 MET A 82 2.150 0.689 4.368 1.00 71.42 H new ATOM 0 HG2 MET A 82 1.960 -1.391 5.736 1.00 50.25 H new ATOM 0 HG3 MET A 82 0.600 -0.690 6.590 1.00 50.25 H new ATOM 0 HE1 MET A 82 0.803 -2.131 2.258 1.00 32.41 H new ATOM 0 HE2 MET A 82 1.044 -0.375 2.412 1.00 32.41 H new ATOM 0 HE3 MET A 82 2.126 -1.500 3.267 1.00 32.41 H new ATOM 1365 N PHE A 83 4.710 0.351 5.471 1.00 3.25 N ATOM 1366 CA PHE A 83 5.900 -0.488 5.436 1.00 42.43 C ATOM 1367 C PHE A 83 6.897 -0.067 6.511 1.00 21.13 C ATOM 1368 O PHE A 83 7.624 -0.899 7.045 1.00 32.10 O ATOM 1369 CB PHE A 83 6.565 -0.444 4.059 1.00 21.12 C ATOM 1370 CG PHE A 83 5.767 -1.111 2.974 1.00 52.03 C ATOM 1371 CD1 PHE A 83 5.442 -2.453 3.069 1.00 11.10 C ATOM 1372 CD2 PHE A 83 5.354 -0.403 1.858 1.00 20.42 C ATOM 1373 CE1 PHE A 83 4.717 -3.078 2.072 1.00 42.45 C ATOM 1374 CE2 PHE A 83 4.627 -1.021 0.858 1.00 2.15 C ATOM 1375 CZ PHE A 83 4.308 -2.361 0.966 1.00 24.14 C ATOM 0 H PHE A 83 4.608 0.977 4.672 1.00 3.25 H new ATOM 0 HA PHE A 83 5.585 -1.512 5.635 1.00 42.43 H new ATOM 0 HB2 PHE A 83 6.737 0.596 3.783 1.00 21.12 H new ATOM 0 HB3 PHE A 83 7.542 -0.922 4.123 1.00 21.12 H new ATOM 0 HD1 PHE A 83 5.759 -3.019 3.933 1.00 11.10 H new ATOM 0 HD2 PHE A 83 5.603 0.644 1.768 1.00 20.42 H new ATOM 0 HE1 PHE A 83 4.471 -4.126 2.158 1.00 42.45 H new ATOM 0 HE2 PHE A 83 4.309 -0.457 -0.007 1.00 2.15 H new ATOM 0 HZ PHE A 83 3.740 -2.846 0.186 1.00 24.14 H new ATOM 1385 N ASN A 84 6.912 1.225 6.833 1.00 55.11 N ATOM 1386 CA ASN A 84 7.798 1.755 7.872 1.00 75.22 C ATOM 1387 C ASN A 84 7.555 1.045 9.198 1.00 13.44 C ATOM 1388 O ASN A 84 8.494 0.712 9.922 1.00 4.10 O ATOM 1389 CB ASN A 84 7.584 3.266 8.038 1.00 15.25 C ATOM 1390 CG ASN A 84 8.476 3.883 9.102 1.00 43.40 C ATOM 1391 OD1 ASN A 84 9.608 4.281 8.822 1.00 62.34 O ATOM 1392 ND2 ASN A 84 7.969 3.992 10.322 1.00 12.14 N ATOM 0 H ASN A 84 6.320 1.927 6.389 1.00 55.11 H new ATOM 0 HA ASN A 84 8.829 1.577 7.565 1.00 75.22 H new ATOM 0 HB2 ASN A 84 7.772 3.760 7.085 1.00 15.25 H new ATOM 0 HB3 ASN A 84 6.541 3.453 8.294 1.00 15.25 H new ATOM 0 HD21 ASN A 84 8.520 4.417 11.067 1.00 12.14 H new ATOM 0 HD22 ASN A 84 7.027 3.651 10.515 1.00 12.14 H new ATOM 1399 N TYR A 85 6.286 0.801 9.499 1.00 65.12 N ATOM 1400 CA TYR A 85 5.899 0.111 10.722 1.00 61.23 C ATOM 1401 C TYR A 85 6.411 -1.328 10.705 1.00 63.11 C ATOM 1402 O TYR A 85 6.867 -1.852 11.724 1.00 72.10 O ATOM 1403 CB TYR A 85 4.371 0.136 10.855 1.00 22.22 C ATOM 1404 CG TYR A 85 3.845 -0.364 12.181 1.00 13.33 C ATOM 1405 CD1 TYR A 85 3.749 0.486 13.272 1.00 74.54 C ATOM 1406 CD2 TYR A 85 3.435 -1.681 12.335 1.00 63.12 C ATOM 1407 CE1 TYR A 85 3.261 0.039 14.483 1.00 13.33 C ATOM 1408 CE2 TYR A 85 2.946 -2.136 13.544 1.00 12.34 C ATOM 1409 CZ TYR A 85 2.861 -1.273 14.614 1.00 10.35 C ATOM 1410 OH TYR A 85 2.376 -1.726 15.820 1.00 52.13 O ATOM 0 H TYR A 85 5.501 1.074 8.907 1.00 65.12 H new ATOM 0 HA TYR A 85 6.342 0.618 11.579 1.00 61.23 H new ATOM 0 HB2 TYR A 85 4.023 1.158 10.703 1.00 22.22 H new ATOM 0 HB3 TYR A 85 3.940 -0.469 10.057 1.00 22.22 H new ATOM 0 HD1 TYR A 85 4.061 1.515 13.173 1.00 74.54 H new ATOM 0 HD2 TYR A 85 3.499 -2.360 11.497 1.00 63.12 H new ATOM 0 HE1 TYR A 85 3.193 0.714 15.323 1.00 13.33 H new ATOM 0 HE2 TYR A 85 2.632 -3.164 13.650 1.00 12.34 H new ATOM 0 HH TYR A 85 1.939 -0.988 16.295 1.00 52.13 H new ATOM 1420 N ALA A 86 6.355 -1.950 9.532 1.00 43.33 N ATOM 1421 CA ALA A 86 6.811 -3.323 9.368 1.00 14.13 C ATOM 1422 C ALA A 86 8.331 -3.413 9.464 1.00 73.01 C ATOM 1423 O ALA A 86 8.872 -4.451 9.837 1.00 0.22 O ATOM 1424 CB ALA A 86 6.326 -3.886 8.042 1.00 22.34 C ATOM 0 H ALA A 86 5.997 -1.522 8.678 1.00 43.33 H new ATOM 0 HA ALA A 86 6.388 -3.919 10.177 1.00 14.13 H new ATOM 0 HB1 ALA A 86 6.675 -4.913 7.933 1.00 22.34 H new ATOM 0 HB2 ALA A 86 5.236 -3.868 8.016 1.00 22.34 H new ATOM 0 HB3 ALA A 86 6.719 -3.281 7.225 1.00 22.34 H new ATOM 1430 N ILE A 87 9.012 -2.326 9.121 1.00 45.42 N ATOM 1431 CA ILE A 87 10.466 -2.258 9.248 1.00 33.35 C ATOM 1432 C ILE A 87 10.866 -2.250 10.718 1.00 42.43 C ATOM 1433 O ILE A 87 11.765 -2.979 11.134 1.00 21.34 O ATOM 1434 CB ILE A 87 11.044 -0.996 8.569 1.00 52.32 C ATOM 1435 CG1 ILE A 87 10.698 -0.979 7.079 1.00 13.10 C ATOM 1436 CG2 ILE A 87 12.554 -0.931 8.761 1.00 71.14 C ATOM 1437 CD1 ILE A 87 11.120 0.293 6.377 1.00 45.34 C ATOM 0 H ILE A 87 8.582 -1.478 8.752 1.00 45.42 H new ATOM 0 HA ILE A 87 10.873 -3.138 8.750 1.00 33.35 H new ATOM 0 HB ILE A 87 10.595 -0.120 9.038 1.00 52.32 H new ATOM 0 HG12 ILE A 87 11.177 -1.829 6.593 1.00 13.10 H new ATOM 0 HG13 ILE A 87 9.622 -1.110 6.962 1.00 13.10 H new ATOM 0 HG21 ILE A 87 12.944 -0.036 8.276 1.00 71.14 H new ATOM 0 HG22 ILE A 87 12.784 -0.897 9.826 1.00 71.14 H new ATOM 0 HG23 ILE A 87 13.015 -1.814 8.318 1.00 71.14 H new ATOM 0 HD11 ILE A 87 10.844 0.236 5.324 1.00 45.34 H new ATOM 0 HD12 ILE A 87 10.621 1.146 6.838 1.00 45.34 H new ATOM 0 HD13 ILE A 87 12.200 0.415 6.463 1.00 45.34 H new ATOM 1449 N LYS A 88 10.176 -1.427 11.498 1.00 53.44 N ATOM 1450 CA LYS A 88 10.443 -1.309 12.929 1.00 64.42 C ATOM 1451 C LYS A 88 10.214 -2.635 13.625 1.00 22.25 C ATOM 1452 O LYS A 88 11.051 -3.118 14.390 1.00 71.42 O ATOM 1453 CB LYS A 88 9.501 -0.292 13.542 1.00 5.24 C ATOM 1454 CG LYS A 88 9.518 1.060 12.869 1.00 21.34 C ATOM 1455 CD LYS A 88 8.366 1.898 13.373 1.00 33.02 C ATOM 1456 CE LYS A 88 8.350 1.936 14.889 1.00 1.31 C ATOM 1457 NZ LYS A 88 9.487 2.721 15.444 1.00 24.44 N ATOM 0 H LYS A 88 9.422 -0.827 11.162 1.00 53.44 H new ATOM 0 HA LYS A 88 11.480 -0.999 13.055 1.00 64.42 H new ATOM 0 HB2 LYS A 88 8.486 -0.688 13.508 1.00 5.24 H new ATOM 0 HB3 LYS A 88 9.758 -0.164 14.593 1.00 5.24 H new ATOM 0 HG2 LYS A 88 10.463 1.565 13.071 1.00 21.34 H new ATOM 0 HG3 LYS A 88 9.446 0.939 11.788 1.00 21.34 H new ATOM 0 HD2 LYS A 88 8.449 2.911 12.980 1.00 33.02 H new ATOM 0 HD3 LYS A 88 7.425 1.489 13.005 1.00 33.02 H new ATOM 0 HE2 LYS A 88 7.410 2.370 15.230 1.00 1.31 H new ATOM 0 HE3 LYS A 88 8.390 0.918 15.277 1.00 1.31 H new ATOM 0 HZ1 LYS A 88 9.435 2.720 16.483 1.00 24.44 H new ATOM 0 HZ2 LYS A 88 10.385 2.293 15.141 1.00 24.44 H new ATOM 0 HZ3 LYS A 88 9.436 3.700 15.096 1.00 24.44 H new ATOM 1471 N ARG A 89 9.061 -3.213 13.342 1.00 51.41 N ATOM 1472 CA ARG A 89 8.707 -4.529 13.859 1.00 22.24 C ATOM 1473 C ARG A 89 9.578 -5.614 13.212 1.00 62.25 C ATOM 1474 O ARG A 89 9.598 -6.763 13.653 1.00 72.12 O ATOM 1475 CB ARG A 89 7.221 -4.794 13.601 1.00 42.24 C ATOM 1476 CG ARG A 89 6.723 -6.119 14.145 1.00 11.52 C ATOM 1477 CD ARG A 89 5.217 -6.243 14.017 1.00 3.11 C ATOM 1478 NE ARG A 89 4.756 -7.577 14.381 1.00 23.43 N ATOM 1479 CZ ARG A 89 3.735 -7.817 15.197 1.00 65.20 C ATOM 1480 NH1 ARG A 89 3.064 -6.812 15.751 1.00 10.25 N ATOM 1481 NH2 ARG A 89 3.396 -9.067 15.472 1.00 71.11 N ATOM 0 H ARG A 89 8.345 -2.790 12.751 1.00 51.41 H new ATOM 0 HA ARG A 89 8.889 -4.555 14.933 1.00 22.24 H new ATOM 0 HB2 ARG A 89 6.637 -3.989 14.046 1.00 42.24 H new ATOM 0 HB3 ARG A 89 7.039 -4.763 12.527 1.00 42.24 H new ATOM 0 HG2 ARG A 89 7.203 -6.937 13.608 1.00 11.52 H new ATOM 0 HG3 ARG A 89 7.009 -6.214 15.193 1.00 11.52 H new ATOM 0 HD2 ARG A 89 4.735 -5.504 14.656 1.00 3.11 H new ATOM 0 HD3 ARG A 89 4.919 -6.021 12.992 1.00 3.11 H new ATOM 0 HE ARG A 89 5.248 -8.377 13.984 1.00 23.43 H new ATOM 0 HH11 ARG A 89 3.332 -5.848 15.551 1.00 10.25 H new ATOM 0 HH12 ARG A 89 2.281 -7.005 16.376 1.00 10.25 H new ATOM 0 HH21 ARG A 89 3.918 -9.840 15.058 1.00 71.11 H new ATOM 0 HH22 ARG A 89 2.613 -9.257 16.098 1.00 71.11 H new ATOM 1495 N HIS A 90 10.302 -5.221 12.169 1.00 14.21 N ATOM 1496 CA HIS A 90 11.261 -6.087 11.481 1.00 22.21 C ATOM 1497 C HIS A 90 10.589 -7.297 10.851 1.00 34.32 C ATOM 1498 O HIS A 90 11.091 -8.419 10.941 1.00 2.33 O ATOM 1499 CB HIS A 90 12.383 -6.528 12.424 1.00 31.05 C ATOM 1500 CG HIS A 90 13.732 -6.074 11.969 1.00 5.11 C ATOM 1501 ND1 HIS A 90 14.605 -5.375 12.772 1.00 71.31 N ATOM 1502 CD2 HIS A 90 14.359 -6.219 10.776 1.00 14.03 C ATOM 1503 CE1 HIS A 90 15.704 -5.107 12.093 1.00 1.43 C ATOM 1504 NE2 HIS A 90 15.581 -5.607 10.881 1.00 25.43 N ATOM 0 H HIS A 90 10.241 -4.284 11.771 1.00 14.21 H new ATOM 0 HA HIS A 90 11.697 -5.497 10.675 1.00 22.21 H new ATOM 0 HB2 HIS A 90 12.189 -6.134 13.422 1.00 31.05 H new ATOM 0 HB3 HIS A 90 12.378 -7.615 12.504 1.00 31.05 H new ATOM 0 HD2 HIS A 90 13.968 -6.723 9.904 1.00 14.03 H new ATOM 0 HE1 HIS A 90 16.561 -4.568 12.468 1.00 1.43 H new ATOM 0 HE2 HIS A 90 16.281 -5.548 10.141 1.00 25.43 H new ATOM 1513 N ILE A 91 9.461 -7.058 10.206 1.00 64.25 N ATOM 1514 CA ILE A 91 8.814 -8.081 9.403 1.00 42.24 C ATOM 1515 C ILE A 91 9.503 -8.138 8.047 1.00 12.42 C ATOM 1516 O ILE A 91 9.860 -9.207 7.553 1.00 42.52 O ATOM 1517 CB ILE A 91 7.311 -7.791 9.200 1.00 11.12 C ATOM 1518 CG1 ILE A 91 6.623 -7.575 10.550 1.00 50.40 C ATOM 1519 CG2 ILE A 91 6.648 -8.937 8.444 1.00 2.04 C ATOM 1520 CD1 ILE A 91 5.153 -7.235 10.438 1.00 54.30 C ATOM 0 H ILE A 91 8.973 -6.162 10.223 1.00 64.25 H new ATOM 0 HA ILE A 91 8.898 -9.033 9.926 1.00 42.24 H new ATOM 0 HB ILE A 91 7.210 -6.880 8.610 1.00 11.12 H new ATOM 0 HG12 ILE A 91 6.733 -8.477 11.152 1.00 50.40 H new ATOM 0 HG13 ILE A 91 7.133 -6.772 11.083 1.00 50.40 H new ATOM 0 HG21 ILE A 91 5.589 -8.719 8.308 1.00 2.04 H new ATOM 0 HG22 ILE A 91 7.122 -9.053 7.470 1.00 2.04 H new ATOM 0 HG23 ILE A 91 6.758 -9.860 9.013 1.00 2.04 H new ATOM 0 HD11 ILE A 91 4.735 -7.097 11.435 1.00 54.30 H new ATOM 0 HD12 ILE A 91 5.035 -6.316 9.864 1.00 54.30 H new ATOM 0 HD13 ILE A 91 4.629 -8.047 9.934 1.00 54.30 H new ATOM 1532 N ILE A 92 9.705 -6.960 7.466 1.00 73.23 N ATOM 1533 CA ILE A 92 10.426 -6.823 6.211 1.00 33.42 C ATOM 1534 C ILE A 92 11.331 -5.600 6.248 1.00 53.10 C ATOM 1535 O ILE A 92 10.868 -4.474 6.426 1.00 33.31 O ATOM 1536 CB ILE A 92 9.480 -6.711 4.992 1.00 13.52 C ATOM 1537 CG1 ILE A 92 8.326 -5.748 5.293 1.00 1.23 C ATOM 1538 CG2 ILE A 92 8.962 -8.083 4.596 1.00 13.35 C ATOM 1539 CD1 ILE A 92 7.442 -5.458 4.100 1.00 31.12 C ATOM 0 H ILE A 92 9.373 -6.077 7.853 1.00 73.23 H new ATOM 0 HA ILE A 92 11.020 -7.729 6.096 1.00 33.42 H new ATOM 0 HB ILE A 92 10.041 -6.307 4.150 1.00 13.52 H new ATOM 0 HG12 ILE A 92 7.715 -6.168 6.092 1.00 1.23 H new ATOM 0 HG13 ILE A 92 8.737 -4.809 5.665 1.00 1.23 H new ATOM 0 HG21 ILE A 92 8.298 -7.987 3.737 1.00 13.35 H new ATOM 0 HG22 ILE A 92 9.801 -8.728 4.336 1.00 13.35 H new ATOM 0 HG23 ILE A 92 8.414 -8.520 5.431 1.00 13.35 H new ATOM 0 HD11 ILE A 92 6.649 -4.769 4.393 1.00 31.12 H new ATOM 0 HD12 ILE A 92 8.038 -5.008 3.306 1.00 31.12 H new ATOM 0 HD13 ILE A 92 7.000 -6.387 3.740 1.00 31.12 H new ATOM 1551 N GLU A 93 12.623 -5.827 6.091 1.00 4.15 N ATOM 1552 CA GLU A 93 13.593 -4.745 6.072 1.00 35.10 C ATOM 1553 C GLU A 93 13.880 -4.335 4.630 1.00 5.00 C ATOM 1554 O GLU A 93 14.715 -3.467 4.360 1.00 64.31 O ATOM 1555 CB GLU A 93 14.882 -5.183 6.770 1.00 22.41 C ATOM 1556 CG GLU A 93 15.815 -4.033 7.106 1.00 41.32 C ATOM 1557 CD GLU A 93 17.141 -4.512 7.647 1.00 14.41 C ATOM 1558 OE1 GLU A 93 17.218 -4.821 8.855 1.00 21.41 O ATOM 1559 OE2 GLU A 93 18.112 -4.587 6.863 1.00 44.03 O ATOM 0 H GLU A 93 13.027 -6.756 5.974 1.00 4.15 H new ATOM 0 HA GLU A 93 13.185 -3.888 6.607 1.00 35.10 H new ATOM 0 HB2 GLU A 93 14.626 -5.712 7.688 1.00 22.41 H new ATOM 0 HB3 GLU A 93 15.408 -5.891 6.130 1.00 22.41 H new ATOM 0 HG2 GLU A 93 15.985 -3.433 6.212 1.00 41.32 H new ATOM 0 HG3 GLU A 93 15.338 -3.384 7.840 1.00 41.32 H new ATOM 1566 N TYR A 94 13.180 -4.977 3.706 1.00 34.24 N ATOM 1567 CA TYR A 94 13.329 -4.686 2.288 1.00 61.23 C ATOM 1568 C TYR A 94 12.715 -3.330 1.968 1.00 45.14 C ATOM 1569 O TYR A 94 13.377 -2.459 1.400 1.00 5.13 O ATOM 1570 CB TYR A 94 12.647 -5.767 1.443 1.00 5.20 C ATOM 1571 CG TYR A 94 12.928 -7.182 1.902 1.00 73.12 C ATOM 1572 CD1 TYR A 94 14.181 -7.757 1.728 1.00 51.43 C ATOM 1573 CD2 TYR A 94 11.937 -7.941 2.510 1.00 4.15 C ATOM 1574 CE1 TYR A 94 14.437 -9.049 2.148 1.00 20.50 C ATOM 1575 CE2 TYR A 94 12.185 -9.232 2.933 1.00 41.30 C ATOM 1576 CZ TYR A 94 13.436 -9.782 2.751 1.00 34.45 C ATOM 1577 OH TYR A 94 13.687 -11.070 3.172 1.00 14.31 O ATOM 0 H TYR A 94 12.499 -5.707 3.915 1.00 34.24 H new ATOM 0 HA TYR A 94 14.393 -4.669 2.050 1.00 61.23 H new ATOM 0 HB2 TYR A 94 11.570 -5.599 1.458 1.00 5.20 H new ATOM 0 HB3 TYR A 94 12.971 -5.662 0.408 1.00 5.20 H new ATOM 0 HD1 TYR A 94 14.967 -7.186 1.257 1.00 51.43 H new ATOM 0 HD2 TYR A 94 10.955 -7.514 2.655 1.00 4.15 H new ATOM 0 HE1 TYR A 94 15.416 -9.482 2.005 1.00 20.50 H new ATOM 0 HE2 TYR A 94 11.402 -9.808 3.404 1.00 41.30 H new ATOM 0 HH TYR A 94 12.877 -11.446 3.577 1.00 14.31 H new ATOM 1587 N ASN A 95 11.457 -3.167 2.382 1.00 33.31 N ATOM 1588 CA ASN A 95 10.660 -1.982 2.104 1.00 31.55 C ATOM 1589 C ASN A 95 10.707 -1.576 0.635 1.00 15.14 C ATOM 1590 O ASN A 95 11.541 -0.769 0.222 1.00 1.32 O ATOM 1591 CB ASN A 95 11.069 -0.820 2.999 1.00 13.04 C ATOM 1592 CG ASN A 95 10.180 0.385 2.789 1.00 44.43 C ATOM 1593 OD1 ASN A 95 9.045 0.265 2.333 1.00 3.44 O ATOM 1594 ND2 ASN A 95 10.675 1.548 3.143 1.00 23.34 N ATOM 0 H ASN A 95 10.960 -3.870 2.929 1.00 33.31 H new ATOM 0 HA ASN A 95 9.626 -2.244 2.329 1.00 31.55 H new ATOM 0 HB2 ASN A 95 11.022 -1.130 4.043 1.00 13.04 H new ATOM 0 HB3 ASN A 95 12.105 -0.549 2.794 1.00 13.04 H new ATOM 0 HD21 ASN A 95 10.113 2.393 3.043 1.00 23.34 H new ATOM 0 HD22 ASN A 95 11.622 1.607 3.518 1.00 23.34 H new ATOM 1601 N PRO A 96 9.813 -2.148 -0.179 1.00 71.50 N ATOM 1602 CA PRO A 96 9.723 -1.830 -1.607 1.00 15.12 C ATOM 1603 C PRO A 96 9.481 -0.339 -1.863 1.00 42.01 C ATOM 1604 O PRO A 96 9.815 0.184 -2.927 1.00 11.42 O ATOM 1605 CB PRO A 96 8.527 -2.661 -2.088 1.00 50.42 C ATOM 1606 CG PRO A 96 7.780 -3.030 -0.852 1.00 70.12 C ATOM 1607 CD PRO A 96 8.813 -3.149 0.223 1.00 73.14 C ATOM 0 HA PRO A 96 10.652 -2.057 -2.130 1.00 15.12 H new ATOM 0 HB2 PRO A 96 7.899 -2.088 -2.770 1.00 50.42 H new ATOM 0 HB3 PRO A 96 8.857 -3.549 -2.628 1.00 50.42 H new ATOM 0 HG2 PRO A 96 7.039 -2.271 -0.601 1.00 70.12 H new ATOM 0 HG3 PRO A 96 7.243 -3.969 -0.985 1.00 70.12 H new ATOM 0 HD2 PRO A 96 8.399 -2.935 1.208 1.00 73.14 H new ATOM 0 HD3 PRO A 96 9.238 -4.152 0.267 1.00 73.14 H new ATOM 1615 N ALA A 97 8.919 0.345 -0.870 1.00 42.15 N ATOM 1616 CA ALA A 97 8.620 1.768 -0.987 1.00 42.15 C ATOM 1617 C ALA A 97 9.875 2.614 -0.786 1.00 14.43 C ATOM 1618 O ALA A 97 9.875 3.817 -1.043 1.00 1.53 O ATOM 1619 CB ALA A 97 7.549 2.167 0.015 1.00 44.24 C ATOM 0 H ALA A 97 8.661 -0.066 0.027 1.00 42.15 H new ATOM 0 HA ALA A 97 8.247 1.952 -1.995 1.00 42.15 H new ATOM 0 HB1 ALA A 97 7.336 3.231 -0.084 1.00 44.24 H new ATOM 0 HB2 ALA A 97 6.640 1.596 -0.177 1.00 44.24 H new ATOM 0 HB3 ALA A 97 7.901 1.960 1.026 1.00 44.24 H new ATOM 1625 N ALA A 98 10.948 1.980 -0.327 1.00 31.15 N ATOM 1626 CA ALA A 98 12.225 2.663 -0.153 1.00 25.13 C ATOM 1627 C ALA A 98 12.911 2.843 -1.500 1.00 74.50 C ATOM 1628 O ALA A 98 13.879 3.596 -1.628 1.00 32.13 O ATOM 1629 CB ALA A 98 13.123 1.888 0.802 1.00 10.52 C ATOM 0 H ALA A 98 10.959 0.993 -0.068 1.00 31.15 H new ATOM 0 HA ALA A 98 12.036 3.646 0.278 1.00 25.13 H new ATOM 0 HB1 ALA A 98 14.071 2.414 0.918 1.00 10.52 H new ATOM 0 HB2 ALA A 98 12.634 1.802 1.772 1.00 10.52 H new ATOM 0 HB3 ALA A 98 13.308 0.892 0.400 1.00 10.52 H new ATOM 1635 N ALA A 99 12.402 2.139 -2.502 1.00 31.05 N ATOM 1636 CA ALA A 99 12.940 2.231 -3.847 1.00 34.04 C ATOM 1637 C ALA A 99 12.313 3.397 -4.600 1.00 11.33 C ATOM 1638 O ALA A 99 12.994 4.098 -5.349 1.00 21.52 O ATOM 1639 CB ALA A 99 12.712 0.930 -4.601 1.00 64.22 C ATOM 0 H ALA A 99 11.615 1.497 -2.405 1.00 31.05 H new ATOM 0 HA ALA A 99 14.013 2.407 -3.774 1.00 34.04 H new ATOM 0 HB1 ALA A 99 13.121 1.016 -5.608 1.00 64.22 H new ATOM 0 HB2 ALA A 99 13.208 0.114 -4.076 1.00 64.22 H new ATOM 0 HB3 ALA A 99 11.643 0.726 -4.660 1.00 64.22 H new ATOM 1645 N PHE A 100 11.023 3.622 -4.385 1.00 43.12 N ATOM 1646 CA PHE A 100 10.314 4.674 -5.100 1.00 15.11 C ATOM 1647 C PHE A 100 9.351 5.428 -4.191 1.00 55.43 C ATOM 1648 O PHE A 100 8.497 4.833 -3.538 1.00 20.42 O ATOM 1649 CB PHE A 100 9.548 4.091 -6.290 1.00 41.52 C ATOM 1650 CG PHE A 100 8.771 5.119 -7.065 1.00 71.15 C ATOM 1651 CD1 PHE A 100 9.425 6.053 -7.852 1.00 51.11 C ATOM 1652 CD2 PHE A 100 7.386 5.156 -6.999 1.00 42.13 C ATOM 1653 CE1 PHE A 100 8.715 7.003 -8.561 1.00 62.30 C ATOM 1654 CE2 PHE A 100 6.671 6.103 -7.705 1.00 73.40 C ATOM 1655 CZ PHE A 100 7.337 7.027 -8.487 1.00 42.32 C ATOM 0 H PHE A 100 10.450 3.094 -3.726 1.00 43.12 H new ATOM 0 HA PHE A 100 11.063 5.380 -5.460 1.00 15.11 H new ATOM 0 HB2 PHE A 100 10.253 3.599 -6.960 1.00 41.52 H new ATOM 0 HB3 PHE A 100 8.862 3.324 -5.930 1.00 41.52 H new ATOM 0 HD1 PHE A 100 10.503 6.038 -7.912 1.00 51.11 H new ATOM 0 HD2 PHE A 100 6.861 4.436 -6.389 1.00 42.13 H new ATOM 0 HE1 PHE A 100 9.237 7.725 -9.172 1.00 62.30 H new ATOM 0 HE2 PHE A 100 5.593 6.121 -7.646 1.00 73.40 H new ATOM 0 HZ PHE A 100 6.779 7.768 -9.040 1.00 42.32 H new