USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= 0.454 K(o=1.6,f=-2.8!) USER MOD Set 1.2: A 43 SER OG : rot -68:sc= 0.533 USER MOD Set 1.3: A 95 TYR OH : rot 23:sc= 0.572 USER MOD Set 2.1: A 73 LYS NZ :NH3+ -161:sc= 2.35 (180deg=1.18) USER MOD Set 2.2: A 90 TYR OH : rot 30:sc= 1.12 USER MOD Set 3.1: A 84 CYS SG : rot -64:sc= 0.646! USER MOD Set 3.2: A 91 SER OG : rot -20:sc= 1.28 USER MOD Set 4.1: A 20 CYS SG : rot 42:sc= -3.79! USER MOD Set 4.2: A 52 SER OG : rot 118:sc= 0.281 USER MOD Set 5.1: A 6 THR OG1 : rot -13:sc= 0.0101 USER MOD Set 5.2: A 105 GLN : amide:sc= -0.0598 X(o=-0.05,f=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -150:sc= 0.245 USER MOD Single : A 8 CYS SG : rot -175:sc= 1.14 USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.349) USER MOD Single : A 17 THR OG1 : rot 120:sc= -0.069 USER MOD Single : A 25 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.54) USER MOD Single : A 27 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.11) USER MOD Single : A 35 ASN : amide:sc= -1.53! C(o=-1.5!,f=-6.3!) USER MOD Single : A 38 GLN : amide:sc= 0.347 K(o=0.35,f=-3!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.53! K(o=-2.5!,f=-1.6) USER MOD Single : A 50 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.28) USER MOD Single : A 55 SER OG : rot 164:sc= 0.941 USER MOD Single : A 62 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.58) USER MOD Single : A 63 GLN : amide:sc= -0.919 X(o=-0.92,f=-0.44) USER MOD Single : A 70 SER OG : rot 66:sc= 1.2 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.904 K(o=-0.9,f=-1.9!) USER MOD Single : A 76 HIS : no HE2:sc= -0.601! C(o=-0.6!,f=-5.5!) USER MOD Single : A 80 TYR OH : rot -34:sc= 0.15 USER MOD Single : A 97 THR OG1 : rot 172:sc= 0.00926 USER MOD Single : A 98 GLN : amide:sc= -2.07! K(o=-2.1!,f=-0.064) USER MOD Single : A 100 THR OG1 : rot -33:sc= 0.369 USER MOD Single : A 101 ASN : amide:sc= 0.692 K(o=0.69,f=-6.8!) USER MOD Single : A 103 ASN : amide:sc= -0.0481 X(o=-0.048,f=-0.056) USER MOD Single : A 107 SER OG : rot 33:sc= 0.182 USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -19.488 -5.329 -0.079 1.00 33.42 N ATOM 32 CA GLN A 3 -18.249 -5.635 -0.790 1.00 61.42 C ATOM 33 C GLN A 3 -17.040 -5.442 0.112 1.00 70.41 C ATOM 34 O GLN A 3 -16.277 -4.488 -0.041 1.00 34.11 O ATOM 35 CB GLN A 3 -18.114 -4.793 -2.063 1.00 12.13 C ATOM 36 CG GLN A 3 -19.248 -5.003 -3.051 1.00 44.24 C ATOM 37 CD GLN A 3 -19.147 -4.090 -4.255 1.00 44.44 C ATOM 38 OE1 GLN A 3 -19.657 -2.972 -4.238 1.00 62.33 O ATOM 39 NE2 GLN A 3 -18.495 -4.555 -5.309 1.00 1.32 N ATOM 0 HA GLN A 3 -18.290 -6.684 -1.085 1.00 61.42 H new ATOM 0 HB2 GLN A 3 -18.072 -3.739 -1.789 1.00 12.13 H new ATOM 0 HB3 GLN A 3 -17.169 -5.034 -2.550 1.00 12.13 H new ATOM 0 HG2 GLN A 3 -19.247 -6.041 -3.385 1.00 44.24 H new ATOM 0 HG3 GLN A 3 -20.200 -4.831 -2.548 1.00 44.24 H new ATOM 0 HE21 GLN A 3 -18.085 -5.489 -5.284 1.00 1.32 H new ATOM 0 HE22 GLN A 3 -18.402 -3.979 -6.146 1.00 1.32 H new ATOM 48 N TRP A 4 -16.891 -6.346 1.066 1.00 72.31 N ATOM 49 CA TRP A 4 -15.764 -6.321 1.980 1.00 12.32 C ATOM 50 C TRP A 4 -14.926 -7.579 1.799 1.00 23.15 C ATOM 51 O TRP A 4 -15.435 -8.695 1.929 1.00 42.45 O ATOM 52 CB TRP A 4 -16.245 -6.224 3.430 1.00 72.35 C ATOM 53 CG TRP A 4 -17.096 -5.022 3.707 1.00 4.24 C ATOM 54 CD1 TRP A 4 -18.460 -4.971 3.726 1.00 51.41 C ATOM 55 CD2 TRP A 4 -16.641 -3.698 4.010 1.00 25.30 C ATOM 56 NE1 TRP A 4 -18.881 -3.698 4.020 1.00 62.35 N ATOM 57 CE2 TRP A 4 -17.784 -2.897 4.199 1.00 14.22 C ATOM 58 CE3 TRP A 4 -15.380 -3.111 4.142 1.00 54.21 C ATOM 59 CZ2 TRP A 4 -17.701 -1.543 4.509 1.00 33.32 C ATOM 60 CZ3 TRP A 4 -15.300 -1.767 4.450 1.00 51.05 C ATOM 61 CH2 TRP A 4 -16.453 -0.996 4.632 1.00 55.03 C ATOM 0 H TRP A 4 -17.544 -7.113 1.227 1.00 72.31 H new ATOM 0 HA TRP A 4 -15.157 -5.444 1.757 1.00 12.32 H new ATOM 0 HB2 TRP A 4 -16.811 -7.122 3.676 1.00 72.35 H new ATOM 0 HB3 TRP A 4 -15.378 -6.203 4.090 1.00 72.35 H new ATOM 0 HD1 TRP A 4 -19.113 -5.810 3.537 1.00 51.41 H new ATOM 0 HE1 TRP A 4 -19.853 -3.397 4.093 1.00 62.35 H new ATOM 0 HE3 TRP A 4 -14.484 -3.698 4.006 1.00 54.21 H new ATOM 0 HZ2 TRP A 4 -18.590 -0.945 4.648 1.00 33.32 H new ATOM 0 HZ3 TRP A 4 -14.330 -1.303 4.552 1.00 51.05 H new ATOM 0 HH2 TRP A 4 -16.356 0.052 4.874 1.00 55.03 H new ATOM 72 N THR A 5 -13.658 -7.395 1.478 1.00 52.21 N ATOM 73 CA THR A 5 -12.744 -8.510 1.319 1.00 3.15 C ATOM 74 C THR A 5 -11.843 -8.622 2.548 1.00 35.43 C ATOM 75 O THR A 5 -11.318 -7.618 3.032 1.00 42.45 O ATOM 76 CB THR A 5 -11.877 -8.336 0.054 1.00 54.54 C ATOM 77 OG1 THR A 5 -12.710 -8.036 -1.076 1.00 61.24 O ATOM 78 CG2 THR A 5 -11.073 -9.595 -0.232 1.00 35.53 C ATOM 0 H THR A 5 -13.237 -6.479 1.322 1.00 52.21 H new ATOM 0 HA THR A 5 -13.332 -9.422 1.213 1.00 3.15 H new ATOM 0 HB THR A 5 -11.186 -7.512 0.229 1.00 54.54 H new ATOM 0 HG1 THR A 5 -12.290 -8.379 -1.892 1.00 61.24 H new ATOM 0 HG21 THR A 5 -10.471 -9.446 -1.128 1.00 35.53 H new ATOM 0 HG22 THR A 5 -10.419 -9.809 0.613 1.00 35.53 H new ATOM 0 HG23 THR A 5 -11.752 -10.433 -0.386 1.00 35.53 H new ATOM 86 N THR A 6 -11.679 -9.834 3.058 1.00 75.20 N ATOM 87 CA THR A 6 -10.837 -10.061 4.218 1.00 10.14 C ATOM 88 C THR A 6 -9.367 -10.095 3.807 1.00 74.12 C ATOM 89 O THR A 6 -8.948 -10.958 3.032 1.00 74.12 O ATOM 90 CB THR A 6 -11.209 -11.378 4.931 1.00 75.22 C ATOM 91 OG1 THR A 6 -12.607 -11.379 5.258 1.00 62.30 O ATOM 92 CG2 THR A 6 -10.390 -11.561 6.200 1.00 30.33 C ATOM 0 H THR A 6 -12.120 -10.675 2.684 1.00 75.20 H new ATOM 0 HA THR A 6 -10.999 -9.237 4.913 1.00 10.14 H new ATOM 0 HB THR A 6 -10.990 -12.204 4.255 1.00 75.22 H new ATOM 0 HG1 THR A 6 -12.968 -10.474 5.153 1.00 62.30 H new ATOM 0 HG21 THR A 6 -10.672 -12.497 6.683 1.00 30.33 H new ATOM 0 HG22 THR A 6 -9.330 -11.588 5.948 1.00 30.33 H new ATOM 0 HG23 THR A 6 -10.581 -10.730 6.879 1.00 30.33 H new ATOM 100 N VAL A 7 -8.594 -9.145 4.315 1.00 31.25 N ATOM 101 CA VAL A 7 -7.181 -9.056 3.982 1.00 34.10 C ATOM 102 C VAL A 7 -6.383 -10.066 4.794 1.00 13.00 C ATOM 103 O VAL A 7 -5.823 -11.015 4.246 1.00 1.22 O ATOM 104 CB VAL A 7 -6.622 -7.640 4.245 1.00 15.45 C ATOM 105 CG1 VAL A 7 -5.168 -7.546 3.805 1.00 1.43 C ATOM 106 CG2 VAL A 7 -7.466 -6.589 3.540 1.00 34.20 C ATOM 0 H VAL A 7 -8.923 -8.426 4.959 1.00 31.25 H new ATOM 0 HA VAL A 7 -7.084 -9.275 2.919 1.00 34.10 H new ATOM 0 HB VAL A 7 -6.667 -7.450 5.317 1.00 15.45 H new ATOM 0 HG11 VAL A 7 -4.793 -6.541 3.999 1.00 1.43 H new ATOM 0 HG12 VAL A 7 -4.572 -8.269 4.362 1.00 1.43 H new ATOM 0 HG13 VAL A 7 -5.096 -7.761 2.739 1.00 1.43 H new ATOM 0 HG21 VAL A 7 -7.055 -5.599 3.738 1.00 34.20 H new ATOM 0 HG22 VAL A 7 -7.458 -6.777 2.466 1.00 34.20 H new ATOM 0 HG23 VAL A 7 -8.490 -6.637 3.909 1.00 34.20 H new ATOM 116 N CYS A 8 -6.359 -9.859 6.104 1.00 74.24 N ATOM 117 CA CYS A 8 -5.612 -10.710 7.009 1.00 23.34 C ATOM 118 C CYS A 8 -5.859 -10.253 8.445 1.00 65.22 C ATOM 119 O CYS A 8 -6.776 -9.467 8.697 1.00 63.30 O ATOM 120 CB CYS A 8 -4.117 -10.645 6.678 1.00 54.21 C ATOM 121 SG CYS A 8 -3.140 -11.992 7.381 1.00 32.23 S ATOM 0 H CYS A 8 -6.857 -9.097 6.564 1.00 74.24 H new ATOM 0 HA CYS A 8 -5.944 -11.742 6.898 1.00 23.34 H new ATOM 0 HB2 CYS A 8 -3.996 -10.651 5.595 1.00 54.21 H new ATOM 0 HB3 CYS A 8 -3.718 -9.697 7.038 1.00 54.21 H new ATOM 0 HG CYS A 8 -1.880 -11.791 7.130 1.00 32.23 H new ATOM 127 N LYS A 9 -5.043 -10.738 9.371 1.00 73.13 N ATOM 128 CA LYS A 9 -5.173 -10.383 10.780 1.00 41.11 C ATOM 129 C LYS A 9 -4.838 -8.915 11.014 1.00 22.23 C ATOM 130 O LYS A 9 -4.020 -8.336 10.300 1.00 1.24 O ATOM 131 CB LYS A 9 -4.222 -11.221 11.636 1.00 75.21 C ATOM 132 CG LYS A 9 -4.442 -12.715 11.562 1.00 74.22 C ATOM 133 CD LYS A 9 -3.440 -13.451 12.438 1.00 12.13 C ATOM 134 CE LYS A 9 -3.586 -13.055 13.900 1.00 21.33 C ATOM 135 NZ LYS A 9 -2.503 -13.621 14.747 1.00 60.24 N ATOM 0 H LYS A 9 -4.279 -11.383 9.171 1.00 73.13 H new ATOM 0 HA LYS A 9 -6.209 -10.575 11.061 1.00 41.11 H new ATOM 0 HB2 LYS A 9 -3.198 -11.005 11.332 1.00 75.21 H new ATOM 0 HB3 LYS A 9 -4.320 -10.906 12.675 1.00 75.21 H new ATOM 0 HG2 LYS A 9 -5.456 -12.954 11.881 1.00 74.22 H new ATOM 0 HG3 LYS A 9 -4.345 -13.051 10.530 1.00 74.22 H new ATOM 0 HD2 LYS A 9 -3.585 -14.526 12.334 1.00 12.13 H new ATOM 0 HD3 LYS A 9 -2.428 -13.231 12.099 1.00 12.13 H new ATOM 0 HE2 LYS A 9 -3.579 -11.968 13.983 1.00 21.33 H new ATOM 0 HE3 LYS A 9 -4.552 -13.397 14.272 1.00 21.33 H new ATOM 0 HZ1 LYS A 9 -2.848 -13.735 15.722 1.00 60.24 H new ATOM 0 HZ2 LYS A 9 -2.216 -14.547 14.371 1.00 60.24 H new ATOM 0 HZ3 LYS A 9 -1.686 -12.978 14.742 1.00 60.24 H new ATOM 149 N LEU A 10 -5.446 -8.336 12.041 1.00 25.22 N ATOM 150 CA LEU A 10 -5.069 -7.008 12.519 1.00 40.11 C ATOM 151 C LEU A 10 -3.685 -7.092 13.166 1.00 60.41 C ATOM 152 O LEU A 10 -2.999 -6.090 13.363 1.00 3.24 O ATOM 153 CB LEU A 10 -6.103 -6.510 13.541 1.00 31.22 C ATOM 154 CG LEU A 10 -5.935 -5.057 13.995 1.00 44.43 C ATOM 155 CD1 LEU A 10 -6.269 -4.104 12.857 1.00 55.44 C ATOM 156 CD2 LEU A 10 -6.803 -4.770 15.215 1.00 74.23 C ATOM 0 H LEU A 10 -6.208 -8.767 12.564 1.00 25.22 H new ATOM 0 HA LEU A 10 -5.040 -6.307 11.685 1.00 40.11 H new ATOM 0 HB2 LEU A 10 -7.098 -6.625 13.111 1.00 31.22 H new ATOM 0 HB3 LEU A 10 -6.059 -7.154 14.419 1.00 31.22 H new ATOM 0 HG LEU A 10 -4.894 -4.902 14.278 1.00 44.43 H new ATOM 0 HD11 LEU A 10 -6.145 -3.075 13.196 1.00 55.44 H new ATOM 0 HD12 LEU A 10 -5.601 -4.293 12.017 1.00 55.44 H new ATOM 0 HD13 LEU A 10 -7.301 -4.260 12.542 1.00 55.44 H new ATOM 0 HD21 LEU A 10 -6.669 -3.733 15.521 1.00 74.23 H new ATOM 0 HD22 LEU A 10 -7.850 -4.942 14.965 1.00 74.23 H new ATOM 0 HD23 LEU A 10 -6.512 -5.430 16.032 1.00 74.23 H new ATOM 168 N ASP A 11 -3.298 -8.321 13.483 1.00 4.42 N ATOM 169 CA ASP A 11 -2.022 -8.624 14.121 1.00 24.44 C ATOM 170 C ASP A 11 -0.957 -8.970 13.080 1.00 74.24 C ATOM 171 O ASP A 11 0.239 -8.815 13.314 1.00 41.54 O ATOM 172 CB ASP A 11 -2.222 -9.797 15.089 1.00 3.30 C ATOM 173 CG ASP A 11 -0.933 -10.472 15.516 1.00 23.14 C ATOM 174 OD1 ASP A 11 -0.240 -9.943 16.411 1.00 20.33 O ATOM 175 OD2 ASP A 11 -0.628 -11.560 14.981 1.00 55.22 O ATOM 0 H ASP A 11 -3.869 -9.147 13.302 1.00 4.42 H new ATOM 0 HA ASP A 11 -1.676 -7.746 14.667 1.00 24.44 H new ATOM 0 HB2 ASP A 11 -2.743 -9.437 15.976 1.00 3.30 H new ATOM 0 HB3 ASP A 11 -2.869 -10.537 14.618 1.00 3.30 H new ATOM 180 N ASP A 12 -1.408 -9.427 11.919 1.00 21.21 N ATOM 181 CA ASP A 12 -0.497 -9.851 10.859 1.00 33.42 C ATOM 182 C ASP A 12 -0.046 -8.652 10.036 1.00 24.31 C ATOM 183 O ASP A 12 1.037 -8.653 9.447 1.00 42.42 O ATOM 184 CB ASP A 12 -1.179 -10.887 9.965 1.00 71.13 C ATOM 185 CG ASP A 12 -0.236 -11.522 8.962 1.00 13.21 C ATOM 186 OD1 ASP A 12 0.564 -12.393 9.361 1.00 31.55 O ATOM 187 OD2 ASP A 12 -0.302 -11.170 7.765 1.00 45.55 O ATOM 0 H ASP A 12 -2.397 -9.514 11.686 1.00 21.21 H new ATOM 0 HA ASP A 12 0.383 -10.306 11.313 1.00 33.42 H new ATOM 0 HB2 ASP A 12 -1.614 -11.667 10.590 1.00 71.13 H new ATOM 0 HB3 ASP A 12 -2.001 -10.411 9.431 1.00 71.13 H new ATOM 192 N ILE A 13 -0.878 -7.623 10.012 1.00 10.02 N ATOM 193 CA ILE A 13 -0.532 -6.393 9.317 1.00 72.14 C ATOM 194 C ILE A 13 0.351 -5.534 10.214 1.00 61.30 C ATOM 195 O ILE A 13 -0.097 -5.029 11.243 1.00 41.03 O ATOM 196 CB ILE A 13 -1.787 -5.599 8.892 1.00 32.33 C ATOM 197 CG1 ILE A 13 -2.710 -6.487 8.047 1.00 43.32 C ATOM 198 CG2 ILE A 13 -1.385 -4.354 8.112 1.00 52.32 C ATOM 199 CD1 ILE A 13 -4.014 -5.823 7.655 1.00 62.01 C ATOM 0 H ILE A 13 -1.793 -7.614 10.463 1.00 10.02 H new ATOM 0 HA ILE A 13 0.009 -6.659 8.409 1.00 72.14 H new ATOM 0 HB ILE A 13 -2.326 -5.286 9.786 1.00 32.33 H new ATOM 0 HG12 ILE A 13 -2.181 -6.787 7.143 1.00 43.32 H new ATOM 0 HG13 ILE A 13 -2.931 -7.398 8.604 1.00 43.32 H new ATOM 0 HG21 ILE A 13 -2.279 -3.804 7.819 1.00 52.32 H new ATOM 0 HG22 ILE A 13 -0.757 -3.719 8.738 1.00 52.32 H new ATOM 0 HG23 ILE A 13 -0.830 -4.647 7.220 1.00 52.32 H new ATOM 0 HD11 ILE A 13 -4.610 -6.515 7.060 1.00 62.01 H new ATOM 0 HD12 ILE A 13 -4.567 -5.548 8.553 1.00 62.01 H new ATOM 0 HD13 ILE A 13 -3.805 -4.928 7.069 1.00 62.01 H new ATOM 211 N LEU A 14 1.608 -5.394 9.818 1.00 54.23 N ATOM 212 CA LEU A 14 2.612 -4.726 10.634 1.00 14.41 C ATOM 213 C LEU A 14 2.311 -3.241 10.823 1.00 11.34 C ATOM 214 O LEU A 14 1.767 -2.582 9.936 1.00 14.41 O ATOM 215 CB LEU A 14 3.992 -4.901 9.997 1.00 5.44 C ATOM 216 CG LEU A 14 4.434 -6.352 9.795 1.00 15.22 C ATOM 217 CD1 LEU A 14 5.841 -6.406 9.222 1.00 13.41 C ATOM 218 CD2 LEU A 14 4.358 -7.122 11.106 1.00 54.24 C ATOM 0 H LEU A 14 1.960 -5.739 8.925 1.00 54.23 H new ATOM 0 HA LEU A 14 2.594 -5.188 11.621 1.00 14.41 H new ATOM 0 HB2 LEU A 14 3.995 -4.399 9.030 1.00 5.44 H new ATOM 0 HB3 LEU A 14 4.730 -4.396 10.621 1.00 5.44 H new ATOM 0 HG LEU A 14 3.756 -6.822 9.083 1.00 15.22 H new ATOM 0 HD11 LEU A 14 6.138 -7.446 9.085 1.00 13.41 H new ATOM 0 HD12 LEU A 14 5.862 -5.893 8.261 1.00 13.41 H new ATOM 0 HD13 LEU A 14 6.533 -5.918 9.909 1.00 13.41 H new ATOM 0 HD21 LEU A 14 4.676 -8.152 10.942 1.00 54.24 H new ATOM 0 HD22 LEU A 14 5.011 -6.653 11.842 1.00 54.24 H new ATOM 0 HD23 LEU A 14 3.332 -7.113 11.474 1.00 54.24 H new ATOM 230 N PRO A 15 2.656 -2.701 11.999 1.00 33.32 N ATOM 231 CA PRO A 15 2.479 -1.283 12.303 1.00 15.15 C ATOM 232 C PRO A 15 3.547 -0.408 11.656 1.00 22.45 C ATOM 233 O PRO A 15 4.659 -0.863 11.388 1.00 32.15 O ATOM 234 CB PRO A 15 2.608 -1.239 13.822 1.00 54.14 C ATOM 235 CG PRO A 15 3.513 -2.373 14.156 1.00 75.24 C ATOM 236 CD PRO A 15 3.236 -3.445 13.136 1.00 22.01 C ATOM 0 HA PRO A 15 1.532 -0.899 11.923 1.00 15.15 H new ATOM 0 HB2 PRO A 15 3.023 -0.289 14.157 1.00 54.14 H new ATOM 0 HB3 PRO A 15 1.638 -1.351 14.306 1.00 54.14 H new ATOM 0 HG2 PRO A 15 4.557 -2.062 14.120 1.00 75.24 H new ATOM 0 HG3 PRO A 15 3.324 -2.738 15.166 1.00 75.24 H new ATOM 0 HD2 PRO A 15 4.147 -3.970 12.849 1.00 22.01 H new ATOM 0 HD3 PRO A 15 2.544 -4.194 13.520 1.00 22.01 H new ATOM 244 N GLY A 16 3.191 0.845 11.401 1.00 11.34 N ATOM 245 CA GLY A 16 4.124 1.805 10.848 1.00 71.24 C ATOM 246 C GLY A 16 4.622 1.422 9.472 1.00 21.41 C ATOM 247 O GLY A 16 5.730 1.792 9.089 1.00 5.12 O ATOM 0 H GLY A 16 2.256 1.217 11.571 1.00 11.34 H new ATOM 0 HA2 GLY A 16 3.643 2.782 10.795 1.00 71.24 H new ATOM 0 HA3 GLY A 16 4.975 1.905 11.521 1.00 71.24 H new ATOM 251 N THR A 17 3.810 0.693 8.718 1.00 74.24 N ATOM 252 CA THR A 17 4.235 0.220 7.408 1.00 43.52 C ATOM 253 C THR A 17 3.077 0.244 6.423 1.00 20.51 C ATOM 254 O THR A 17 1.977 0.688 6.759 1.00 41.24 O ATOM 255 CB THR A 17 4.813 -1.214 7.469 1.00 22.03 C ATOM 256 OG1 THR A 17 3.893 -2.088 8.130 1.00 42.30 O ATOM 257 CG2 THR A 17 6.153 -1.253 8.188 1.00 2.43 C ATOM 0 H THR A 17 2.865 0.419 8.987 1.00 74.24 H new ATOM 0 HA THR A 17 5.020 0.897 7.072 1.00 43.52 H new ATOM 0 HB THR A 17 4.969 -1.547 6.443 1.00 22.03 H new ATOM 0 HG1 THR A 17 3.630 -2.808 7.520 1.00 42.30 H new ATOM 0 HG21 THR A 17 6.525 -2.277 8.209 1.00 2.43 H new ATOM 0 HG22 THR A 17 6.867 -0.619 7.662 1.00 2.43 H new ATOM 0 HG23 THR A 17 6.029 -0.891 9.209 1.00 2.43 H new ATOM 265 N GLY A 18 3.343 -0.221 5.213 1.00 23.15 N ATOM 266 CA GLY A 18 2.321 -0.326 4.199 1.00 62.35 C ATOM 267 C GLY A 18 2.759 -1.265 3.100 1.00 3.20 C ATOM 268 O GLY A 18 3.609 -0.907 2.288 1.00 45.21 O ATOM 0 H GLY A 18 4.267 -0.532 4.913 1.00 23.15 H new ATOM 0 HA2 GLY A 18 1.394 -0.686 4.645 1.00 62.35 H new ATOM 0 HA3 GLY A 18 2.112 0.659 3.782 1.00 62.35 H new ATOM 272 N VAL A 19 2.206 -2.468 3.082 1.00 64.23 N ATOM 273 CA VAL A 19 2.655 -3.488 2.143 1.00 1.30 C ATOM 274 C VAL A 19 1.671 -3.696 1.002 1.00 2.44 C ATOM 275 O VAL A 19 0.457 -3.623 1.197 1.00 14.42 O ATOM 276 CB VAL A 19 2.915 -4.836 2.849 1.00 32.20 C ATOM 277 CG1 VAL A 19 4.078 -4.711 3.821 1.00 2.44 C ATOM 278 CG2 VAL A 19 1.667 -5.328 3.571 1.00 31.32 C ATOM 0 H VAL A 19 1.451 -2.762 3.702 1.00 64.23 H new ATOM 0 HA VAL A 19 3.591 -3.119 1.725 1.00 1.30 H new ATOM 0 HB VAL A 19 3.174 -5.571 2.087 1.00 32.20 H new ATOM 0 HG11 VAL A 19 4.248 -5.670 4.310 1.00 2.44 H new ATOM 0 HG12 VAL A 19 4.976 -4.416 3.278 1.00 2.44 H new ATOM 0 HG13 VAL A 19 3.845 -3.957 4.572 1.00 2.44 H new ATOM 0 HG21 VAL A 19 1.880 -6.279 4.059 1.00 31.32 H new ATOM 0 HG22 VAL A 19 1.367 -4.595 4.320 1.00 31.32 H new ATOM 0 HG23 VAL A 19 0.859 -5.462 2.851 1.00 31.32 H new ATOM 288 N CYS A 20 2.206 -3.923 -0.195 1.00 34.45 N ATOM 289 CA CYS A 20 1.392 -4.234 -1.352 1.00 33.13 C ATOM 290 C CYS A 20 0.886 -5.671 -1.288 1.00 23.44 C ATOM 291 O CYS A 20 1.674 -6.618 -1.288 1.00 64.24 O ATOM 292 CB CYS A 20 2.210 -4.017 -2.625 1.00 14.23 C ATOM 293 SG CYS A 20 3.885 -4.699 -2.550 1.00 64.54 S ATOM 0 H CYS A 20 3.208 -3.895 -0.383 1.00 34.45 H new ATOM 0 HA CYS A 20 0.526 -3.572 -1.361 1.00 33.13 H new ATOM 0 HB2 CYS A 20 1.682 -4.469 -3.465 1.00 14.23 H new ATOM 0 HB3 CYS A 20 2.273 -2.948 -2.826 1.00 14.23 H new ATOM 0 HG CYS A 20 3.853 -5.866 -1.979 1.00 64.54 H new ATOM 299 N ALA A 21 -0.422 -5.822 -1.217 1.00 14.21 N ATOM 300 CA ALA A 21 -1.038 -7.136 -1.197 1.00 41.41 C ATOM 301 C ALA A 21 -1.886 -7.344 -2.443 1.00 72.32 C ATOM 302 O ALA A 21 -2.513 -6.406 -2.944 1.00 10.43 O ATOM 303 CB ALA A 21 -1.880 -7.311 0.060 1.00 2.42 C ATOM 0 H ALA A 21 -1.083 -5.046 -1.172 1.00 14.21 H new ATOM 0 HA ALA A 21 -0.249 -7.888 -1.188 1.00 41.41 H new ATOM 0 HB1 ALA A 21 -2.334 -8.302 0.059 1.00 2.42 H new ATOM 0 HB2 ALA A 21 -1.246 -7.204 0.940 1.00 2.42 H new ATOM 0 HB3 ALA A 21 -2.663 -6.553 0.082 1.00 2.42 H new ATOM 309 N LEU A 22 -1.881 -8.565 -2.955 1.00 3.24 N ATOM 310 CA LEU A 22 -2.694 -8.909 -4.105 1.00 42.23 C ATOM 311 C LEU A 22 -4.092 -9.277 -3.630 1.00 3.23 C ATOM 312 O LEU A 22 -4.358 -10.415 -3.245 1.00 22.01 O ATOM 313 CB LEU A 22 -2.047 -10.059 -4.892 1.00 23.12 C ATOM 314 CG LEU A 22 -2.579 -10.286 -6.315 1.00 64.33 C ATOM 315 CD1 LEU A 22 -1.545 -11.022 -7.153 1.00 24.24 C ATOM 316 CD2 LEU A 22 -3.877 -11.079 -6.300 1.00 40.20 C ATOM 0 H LEU A 22 -1.320 -9.334 -2.589 1.00 3.24 H new ATOM 0 HA LEU A 22 -2.766 -8.055 -4.778 1.00 42.23 H new ATOM 0 HB2 LEU A 22 -0.975 -9.873 -4.952 1.00 23.12 H new ATOM 0 HB3 LEU A 22 -2.180 -10.980 -4.325 1.00 23.12 H new ATOM 0 HG LEU A 22 -2.776 -9.308 -6.754 1.00 64.33 H new ATOM 0 HD11 LEU A 22 -1.935 -11.176 -8.159 1.00 24.24 H new ATOM 0 HD12 LEU A 22 -0.631 -10.431 -7.205 1.00 24.24 H new ATOM 0 HD13 LEU A 22 -1.327 -11.987 -6.696 1.00 24.24 H new ATOM 0 HD21 LEU A 22 -4.227 -11.223 -7.322 1.00 40.20 H new ATOM 0 HD22 LEU A 22 -3.705 -12.050 -5.836 1.00 40.20 H new ATOM 0 HD23 LEU A 22 -4.630 -10.533 -5.732 1.00 40.20 H new ATOM 328 N VAL A 23 -4.961 -8.284 -3.611 1.00 73.44 N ATOM 329 CA VAL A 23 -6.329 -8.466 -3.166 1.00 0.41 C ATOM 330 C VAL A 23 -7.275 -8.120 -4.301 1.00 25.15 C ATOM 331 O VAL A 23 -7.104 -7.087 -4.949 1.00 21.03 O ATOM 332 CB VAL A 23 -6.648 -7.576 -1.944 1.00 21.41 C ATOM 333 CG1 VAL A 23 -8.050 -7.846 -1.427 1.00 34.34 C ATOM 334 CG2 VAL A 23 -5.625 -7.782 -0.836 1.00 33.25 C ATOM 0 H VAL A 23 -4.739 -7.332 -3.903 1.00 73.44 H new ATOM 0 HA VAL A 23 -6.456 -9.507 -2.870 1.00 0.41 H new ATOM 0 HB VAL A 23 -6.596 -6.537 -2.268 1.00 21.41 H new ATOM 0 HG11 VAL A 23 -8.250 -7.207 -0.567 1.00 34.34 H new ATOM 0 HG12 VAL A 23 -8.775 -7.634 -2.213 1.00 34.34 H new ATOM 0 HG13 VAL A 23 -8.133 -8.891 -1.130 1.00 34.34 H new ATOM 0 HG21 VAL A 23 -5.873 -7.144 0.012 1.00 33.25 H new ATOM 0 HG22 VAL A 23 -5.636 -8.825 -0.520 1.00 33.25 H new ATOM 0 HG23 VAL A 23 -4.632 -7.525 -1.205 1.00 33.25 H new ATOM 344 N GLU A 24 -8.238 -9.006 -4.567 1.00 62.52 N ATOM 345 CA GLU A 24 -9.229 -8.799 -5.629 1.00 13.35 C ATOM 346 C GLU A 24 -8.554 -8.844 -6.986 1.00 32.51 C ATOM 347 O GLU A 24 -9.091 -8.385 -7.996 1.00 43.11 O ATOM 348 CB GLU A 24 -9.917 -7.468 -5.446 1.00 43.22 C ATOM 349 CG GLU A 24 -11.396 -7.504 -5.754 1.00 24.32 C ATOM 350 CD GLU A 24 -12.234 -8.045 -4.609 1.00 42.14 C ATOM 351 OE1 GLU A 24 -11.766 -8.945 -3.878 1.00 30.13 O ATOM 352 OE2 GLU A 24 -13.377 -7.574 -4.445 1.00 3.01 O ATOM 0 H GLU A 24 -8.354 -9.882 -4.057 1.00 62.52 H new ATOM 0 HA GLU A 24 -9.972 -9.594 -5.573 1.00 13.35 H new ATOM 0 HB2 GLU A 24 -9.777 -7.134 -4.418 1.00 43.22 H new ATOM 0 HB3 GLU A 24 -9.438 -6.730 -6.089 1.00 43.22 H new ATOM 0 HG2 GLU A 24 -11.734 -6.497 -5.998 1.00 24.32 H new ATOM 0 HG3 GLU A 24 -11.561 -8.119 -6.639 1.00 24.32 H new ATOM 359 N GLN A 25 -7.357 -9.389 -6.953 1.00 32.04 N ATOM 360 CA GLN A 25 -6.512 -9.595 -8.132 1.00 22.43 C ATOM 361 C GLN A 25 -5.870 -8.284 -8.583 1.00 25.50 C ATOM 362 O GLN A 25 -5.511 -8.125 -9.752 1.00 62.33 O ATOM 363 CB GLN A 25 -7.301 -10.236 -9.285 1.00 20.05 C ATOM 364 CG GLN A 25 -7.931 -11.577 -8.930 1.00 74.23 C ATOM 365 CD GLN A 25 -6.909 -12.631 -8.543 1.00 5.13 C ATOM 366 OE1 GLN A 25 -5.779 -12.637 -9.037 1.00 5.32 O ATOM 367 NE2 GLN A 25 -7.295 -13.528 -7.648 1.00 53.11 N ATOM 0 H GLN A 25 -6.924 -9.713 -6.088 1.00 32.04 H new ATOM 0 HA GLN A 25 -5.718 -10.285 -7.847 1.00 22.43 H new ATOM 0 HB2 GLN A 25 -8.086 -9.549 -9.601 1.00 20.05 H new ATOM 0 HB3 GLN A 25 -6.635 -10.373 -10.137 1.00 20.05 H new ATOM 0 HG2 GLN A 25 -8.630 -11.437 -8.105 1.00 74.23 H new ATOM 0 HG3 GLN A 25 -8.510 -11.936 -9.781 1.00 74.23 H new ATOM 0 HE21 GLN A 25 -8.238 -13.490 -7.262 1.00 53.11 H new ATOM 0 HE22 GLN A 25 -6.649 -14.257 -7.345 1.00 53.11 H new ATOM 376 N GLN A 26 -5.705 -7.359 -7.641 1.00 15.03 N ATOM 377 CA GLN A 26 -5.049 -6.087 -7.916 1.00 70.52 C ATOM 378 C GLN A 26 -4.077 -5.750 -6.787 1.00 75.51 C ATOM 379 O GLN A 26 -4.098 -6.383 -5.730 1.00 54.52 O ATOM 380 CB GLN A 26 -6.094 -4.980 -8.079 1.00 2.13 C ATOM 381 CG GLN A 26 -5.853 -4.075 -9.281 1.00 54.33 C ATOM 382 CD GLN A 26 -4.776 -3.035 -9.054 1.00 1.32 C ATOM 383 OE1 GLN A 26 -3.592 -3.273 -9.307 1.00 74.25 O ATOM 384 NE2 GLN A 26 -5.183 -1.868 -8.586 1.00 2.34 N ATOM 0 H GLN A 26 -6.019 -7.469 -6.677 1.00 15.03 H new ATOM 0 HA GLN A 26 -4.487 -6.167 -8.846 1.00 70.52 H new ATOM 0 HB2 GLN A 26 -7.080 -5.435 -8.172 1.00 2.13 H new ATOM 0 HB3 GLN A 26 -6.108 -4.371 -7.175 1.00 2.13 H new ATOM 0 HG2 GLN A 26 -5.577 -4.690 -10.138 1.00 54.33 H new ATOM 0 HG3 GLN A 26 -6.785 -3.570 -9.537 1.00 54.33 H new ATOM 0 HE21 GLN A 26 -6.172 -1.714 -8.390 1.00 2.34 H new ATOM 0 HE22 GLN A 26 -4.508 -1.121 -8.420 1.00 2.34 H new ATOM 393 N GLN A 27 -3.222 -4.766 -7.017 1.00 32.31 N ATOM 394 CA GLN A 27 -2.228 -4.365 -6.034 1.00 42.41 C ATOM 395 C GLN A 27 -2.758 -3.251 -5.139 1.00 15.15 C ATOM 396 O GLN A 27 -3.110 -2.169 -5.612 1.00 42.10 O ATOM 397 CB GLN A 27 -0.948 -3.916 -6.734 1.00 54.12 C ATOM 398 CG GLN A 27 -0.152 -5.062 -7.338 1.00 50.35 C ATOM 399 CD GLN A 27 0.486 -5.943 -6.283 1.00 10.54 C ATOM 400 OE1 GLN A 27 1.616 -5.704 -5.865 1.00 51.02 O ATOM 401 NE2 GLN A 27 -0.233 -6.962 -5.842 1.00 23.12 N ATOM 0 H GLN A 27 -3.197 -4.227 -7.883 1.00 32.31 H new ATOM 0 HA GLN A 27 -2.006 -5.227 -5.405 1.00 42.41 H new ATOM 0 HB2 GLN A 27 -1.204 -3.207 -7.522 1.00 54.12 H new ATOM 0 HB3 GLN A 27 -0.320 -3.385 -6.019 1.00 54.12 H new ATOM 0 HG2 GLN A 27 -0.809 -5.667 -7.963 1.00 50.35 H new ATOM 0 HG3 GLN A 27 0.624 -4.658 -7.988 1.00 50.35 H new ATOM 0 HE21 GLN A 27 -1.168 -7.126 -6.215 1.00 23.12 H new ATOM 0 HE22 GLN A 27 0.148 -7.584 -5.129 1.00 23.12 H new ATOM 410 N ILE A 28 -2.821 -3.533 -3.846 1.00 60.21 N ATOM 411 CA ILE A 28 -3.285 -2.565 -2.861 1.00 13.23 C ATOM 412 C ILE A 28 -2.360 -2.575 -1.649 1.00 2.15 C ATOM 413 O ILE A 28 -2.052 -3.635 -1.106 1.00 63.05 O ATOM 414 CB ILE A 28 -4.734 -2.878 -2.409 1.00 34.12 C ATOM 415 CG1 ILE A 28 -5.690 -2.835 -3.608 1.00 71.21 C ATOM 416 CG2 ILE A 28 -5.187 -1.897 -1.339 1.00 72.33 C ATOM 417 CD1 ILE A 28 -7.120 -3.196 -3.268 1.00 32.43 C ATOM 0 H ILE A 28 -2.554 -4.434 -3.451 1.00 60.21 H new ATOM 0 HA ILE A 28 -3.274 -1.579 -3.325 1.00 13.23 H new ATOM 0 HB ILE A 28 -4.750 -3.882 -1.985 1.00 34.12 H new ATOM 0 HG12 ILE A 28 -5.671 -1.834 -4.039 1.00 71.21 H new ATOM 0 HG13 ILE A 28 -5.326 -3.519 -4.375 1.00 71.21 H new ATOM 0 HG21 ILE A 28 -6.207 -2.135 -1.036 1.00 72.33 H new ATOM 0 HG22 ILE A 28 -4.526 -1.969 -0.476 1.00 72.33 H new ATOM 0 HG23 ILE A 28 -5.154 -0.883 -1.738 1.00 72.33 H new ATOM 0 HD11 ILE A 28 -7.733 -3.142 -4.168 1.00 32.43 H new ATOM 0 HD12 ILE A 28 -7.154 -4.209 -2.866 1.00 32.43 H new ATOM 0 HD13 ILE A 28 -7.505 -2.498 -2.525 1.00 32.43 H new ATOM 429 N ALA A 29 -1.904 -1.401 -1.245 1.00 11.14 N ATOM 430 CA ALA A 29 -1.016 -1.276 -0.101 1.00 50.40 C ATOM 431 C ALA A 29 -1.818 -1.040 1.166 1.00 34.52 C ATOM 432 O ALA A 29 -2.739 -0.226 1.179 1.00 62.03 O ATOM 433 CB ALA A 29 -0.023 -0.143 -0.314 1.00 63.25 C ATOM 0 H ALA A 29 -2.136 -0.516 -1.695 1.00 11.14 H new ATOM 0 HA ALA A 29 -0.459 -2.207 0.005 1.00 50.40 H new ATOM 0 HB1 ALA A 29 0.633 -0.066 0.553 1.00 63.25 H new ATOM 0 HB2 ALA A 29 0.574 -0.345 -1.203 1.00 63.25 H new ATOM 0 HB3 ALA A 29 -0.563 0.795 -0.445 1.00 63.25 H new ATOM 439 N VAL A 30 -1.472 -1.755 2.225 1.00 43.23 N ATOM 440 CA VAL A 30 -2.188 -1.621 3.492 1.00 53.53 C ATOM 441 C VAL A 30 -1.308 -0.942 4.533 1.00 44.04 C ATOM 442 O VAL A 30 -0.312 -1.506 4.986 1.00 44.22 O ATOM 443 CB VAL A 30 -2.667 -2.988 4.027 1.00 45.30 C ATOM 444 CG1 VAL A 30 -3.510 -2.807 5.283 1.00 25.54 C ATOM 445 CG2 VAL A 30 -3.447 -3.739 2.958 1.00 44.12 C ATOM 0 H VAL A 30 -0.707 -2.430 2.237 1.00 43.23 H new ATOM 0 HA VAL A 30 -3.067 -1.005 3.303 1.00 53.53 H new ATOM 0 HB VAL A 30 -1.790 -3.580 4.288 1.00 45.30 H new ATOM 0 HG11 VAL A 30 -3.838 -3.782 5.645 1.00 25.54 H new ATOM 0 HG12 VAL A 30 -2.915 -2.316 6.053 1.00 25.54 H new ATOM 0 HG13 VAL A 30 -4.381 -2.194 5.051 1.00 25.54 H new ATOM 0 HG21 VAL A 30 -3.776 -4.700 3.355 1.00 44.12 H new ATOM 0 HG22 VAL A 30 -4.316 -3.152 2.662 1.00 44.12 H new ATOM 0 HG23 VAL A 30 -2.808 -3.904 2.090 1.00 44.12 H new ATOM 455 N PHE A 31 -1.683 0.275 4.892 1.00 3.13 N ATOM 456 CA PHE A 31 -0.917 1.092 5.823 1.00 50.34 C ATOM 457 C PHE A 31 -1.389 0.889 7.260 1.00 62.33 C ATOM 458 O PHE A 31 -2.575 0.658 7.505 1.00 64.43 O ATOM 459 CB PHE A 31 -1.071 2.578 5.475 1.00 75.51 C ATOM 460 CG PHE A 31 -0.535 2.986 4.130 1.00 53.24 C ATOM 461 CD1 PHE A 31 -1.112 2.523 2.960 1.00 74.34 C ATOM 462 CD2 PHE A 31 0.541 3.853 4.041 1.00 14.12 C ATOM 463 CE1 PHE A 31 -0.627 2.913 1.728 1.00 64.40 C ATOM 464 CE2 PHE A 31 1.029 4.250 2.811 1.00 62.40 C ATOM 465 CZ PHE A 31 0.444 3.777 1.652 1.00 45.01 C ATOM 0 H PHE A 31 -2.529 0.727 4.546 1.00 3.13 H new ATOM 0 HA PHE A 31 0.126 0.786 5.739 1.00 50.34 H new ATOM 0 HB2 PHE A 31 -2.129 2.836 5.519 1.00 75.51 H new ATOM 0 HB3 PHE A 31 -0.567 3.167 6.242 1.00 75.51 H new ATOM 0 HD1 PHE A 31 -1.953 1.847 3.012 1.00 74.34 H new ATOM 0 HD2 PHE A 31 1.004 4.223 4.944 1.00 14.12 H new ATOM 0 HE1 PHE A 31 -1.087 2.541 0.824 1.00 64.40 H new ATOM 0 HE2 PHE A 31 1.867 4.929 2.755 1.00 62.40 H new ATOM 0 HZ PHE A 31 0.825 4.084 0.689 1.00 45.01 H new ATOM 475 N ARG A 32 -0.453 0.982 8.201 1.00 71.51 N ATOM 476 CA ARG A 32 -0.789 1.043 9.625 1.00 11.40 C ATOM 477 C ARG A 32 0.110 2.028 10.376 1.00 1.32 C ATOM 478 O ARG A 32 0.699 1.672 11.393 1.00 3.25 O ATOM 479 CB ARG A 32 -0.704 -0.337 10.289 1.00 12.01 C ATOM 480 CG ARG A 32 -1.995 -1.133 10.211 1.00 12.25 C ATOM 481 CD ARG A 32 -1.924 -2.409 11.036 1.00 3.20 C ATOM 482 NE ARG A 32 -1.665 -2.150 12.459 1.00 14.33 N ATOM 483 CZ ARG A 32 -2.619 -1.997 13.371 1.00 74.43 C ATOM 484 NH1 ARG A 32 -3.890 -1.933 12.999 1.00 4.40 N ATOM 485 NH2 ARG A 32 -2.302 -1.888 14.657 1.00 74.43 N ATOM 0 H ARG A 32 0.547 1.017 8.005 1.00 71.51 H new ATOM 0 HA ARG A 32 -1.819 1.395 9.683 1.00 11.40 H new ATOM 0 HB2 ARG A 32 0.094 -0.909 9.816 1.00 12.01 H new ATOM 0 HB3 ARG A 32 -0.428 -0.210 11.336 1.00 12.01 H new ATOM 0 HG2 ARG A 32 -2.823 -0.518 10.564 1.00 12.25 H new ATOM 0 HG3 ARG A 32 -2.205 -1.384 9.171 1.00 12.25 H new ATOM 0 HD2 ARG A 32 -2.862 -2.955 10.935 1.00 3.20 H new ATOM 0 HD3 ARG A 32 -1.138 -3.051 10.639 1.00 3.20 H new ATOM 0 HE ARG A 32 -0.694 -2.084 12.765 1.00 14.33 H new ATOM 0 HH11 ARG A 32 -4.136 -2.001 12.012 1.00 4.40 H new ATOM 0 HH12 ARG A 32 -4.621 -1.816 13.700 1.00 4.40 H new ATOM 0 HH21 ARG A 32 -1.324 -1.922 14.946 1.00 74.43 H new ATOM 0 HH22 ARG A 32 -3.036 -1.771 15.355 1.00 74.43 H new ATOM 499 N PRO A 33 0.176 3.299 9.928 1.00 43.20 N ATOM 500 CA PRO A 33 1.123 4.290 10.468 1.00 54.23 C ATOM 501 C PRO A 33 0.881 4.608 11.943 1.00 22.24 C ATOM 502 O PRO A 33 1.817 4.629 12.737 1.00 30.44 O ATOM 503 CB PRO A 33 0.883 5.538 9.608 1.00 63.30 C ATOM 504 CG PRO A 33 0.141 5.050 8.410 1.00 62.10 C ATOM 505 CD PRO A 33 -0.676 3.887 8.884 1.00 74.55 C ATOM 0 HA PRO A 33 2.146 3.917 10.427 1.00 54.23 H new ATOM 0 HB2 PRO A 33 0.305 6.286 10.151 1.00 63.30 H new ATOM 0 HB3 PRO A 33 1.825 6.008 9.324 1.00 63.30 H new ATOM 0 HG2 PRO A 33 -0.495 5.833 7.998 1.00 62.10 H new ATOM 0 HG3 PRO A 33 0.829 4.749 7.620 1.00 62.10 H new ATOM 0 HD2 PRO A 33 -1.641 4.204 9.280 1.00 74.55 H new ATOM 0 HD3 PRO A 33 -0.878 3.179 8.080 1.00 74.55 H new ATOM 513 N ARG A 34 -0.380 4.840 12.304 1.00 45.12 N ATOM 514 CA ARG A 34 -0.729 5.211 13.676 1.00 33.01 C ATOM 515 C ARG A 34 -0.527 4.047 14.642 1.00 10.22 C ATOM 516 O ARG A 34 -0.211 4.257 15.815 1.00 31.43 O ATOM 517 CB ARG A 34 -2.184 5.683 13.760 1.00 35.22 C ATOM 518 CG ARG A 34 -2.468 6.979 13.022 1.00 63.23 C ATOM 519 CD ARG A 34 -3.918 7.393 13.208 1.00 13.54 C ATOM 520 NE ARG A 34 -4.230 8.660 12.551 1.00 32.24 N ATOM 521 CZ ARG A 34 -5.438 9.228 12.565 1.00 21.54 C ATOM 522 NH1 ARG A 34 -6.446 8.638 13.196 1.00 35.15 N ATOM 523 NH2 ARG A 34 -5.641 10.385 11.952 1.00 1.33 N ATOM 0 H ARG A 34 -1.175 4.778 11.668 1.00 45.12 H new ATOM 0 HA ARG A 34 -0.063 6.025 13.963 1.00 33.01 H new ATOM 0 HB2 ARG A 34 -2.830 4.902 13.359 1.00 35.22 H new ATOM 0 HB3 ARG A 34 -2.452 5.811 14.809 1.00 35.22 H new ATOM 0 HG2 ARG A 34 -1.809 7.766 13.390 1.00 63.23 H new ATOM 0 HG3 ARG A 34 -2.253 6.854 11.961 1.00 63.23 H new ATOM 0 HD2 ARG A 34 -4.568 6.613 12.812 1.00 13.54 H new ATOM 0 HD3 ARG A 34 -4.134 7.478 14.273 1.00 13.54 H new ATOM 0 HE ARG A 34 -3.480 9.139 12.052 1.00 32.24 H new ATOM 0 HH11 ARG A 34 -6.299 7.748 13.672 1.00 35.15 H new ATOM 0 HH12 ARG A 34 -7.368 9.075 13.205 1.00 35.15 H new ATOM 0 HH21 ARG A 34 -4.872 10.846 11.466 1.00 1.33 H new ATOM 0 HH22 ARG A 34 -6.566 10.814 11.966 1.00 1.33 H new ATOM 537 N ASN A 35 -0.687 2.827 14.127 1.00 61.34 N ATOM 538 CA ASN A 35 -0.733 1.620 14.954 1.00 42.24 C ATOM 539 C ASN A 35 -1.929 1.679 15.898 1.00 72.24 C ATOM 540 O ASN A 35 -1.864 2.262 16.980 1.00 64.30 O ATOM 541 CB ASN A 35 0.570 1.403 15.739 1.00 11.45 C ATOM 542 CG ASN A 35 0.498 0.185 16.646 1.00 23.41 C ATOM 543 OD1 ASN A 35 0.730 -0.941 16.208 1.00 73.20 O ATOM 544 ND2 ASN A 35 0.198 0.401 17.917 1.00 42.21 N ATOM 0 H ASN A 35 -0.788 2.648 13.128 1.00 61.34 H new ATOM 0 HA ASN A 35 -0.845 0.766 14.286 1.00 42.24 H new ATOM 0 HB2 ASN A 35 1.398 1.285 15.040 1.00 11.45 H new ATOM 0 HB3 ASN A 35 0.783 2.288 16.338 1.00 11.45 H new ATOM 0 HD21 ASN A 35 0.153 -0.381 18.570 1.00 42.21 H new ATOM 0 HD22 ASN A 35 0.012 1.349 18.243 1.00 42.21 H new ATOM 551 N ASP A 36 -3.026 1.079 15.462 1.00 43.52 N ATOM 552 CA ASP A 36 -4.294 1.146 16.185 1.00 44.34 C ATOM 553 C ASP A 36 -5.323 0.306 15.433 1.00 74.34 C ATOM 554 O ASP A 36 -5.066 -0.858 15.129 1.00 64.03 O ATOM 555 CB ASP A 36 -4.753 2.612 16.309 1.00 43.12 C ATOM 556 CG ASP A 36 -5.924 2.800 17.258 1.00 4.14 C ATOM 557 OD1 ASP A 36 -5.714 2.769 18.485 1.00 23.53 O ATOM 558 OD2 ASP A 36 -7.060 2.985 16.774 1.00 23.41 O ATOM 0 H ASP A 36 -3.066 0.533 14.601 1.00 43.52 H new ATOM 0 HA ASP A 36 -4.178 0.751 17.194 1.00 44.34 H new ATOM 0 HB2 ASP A 36 -3.916 3.219 16.653 1.00 43.12 H new ATOM 0 HB3 ASP A 36 -5.032 2.982 15.322 1.00 43.12 H new ATOM 563 N GLU A 37 -6.474 0.881 15.127 1.00 23.30 N ATOM 564 CA GLU A 37 -7.435 0.235 14.251 1.00 61.21 C ATOM 565 C GLU A 37 -7.413 0.890 12.876 1.00 31.31 C ATOM 566 O GLU A 37 -8.014 0.390 11.929 1.00 32.01 O ATOM 567 CB GLU A 37 -8.836 0.300 14.849 1.00 13.30 C ATOM 568 CG GLU A 37 -9.034 -0.639 16.024 1.00 71.52 C ATOM 569 CD GLU A 37 -10.446 -0.607 16.566 1.00 43.53 C ATOM 570 OE1 GLU A 37 -11.377 -0.287 15.799 1.00 21.34 O ATOM 571 OE2 GLU A 37 -10.630 -0.918 17.762 1.00 1.03 O ATOM 0 H GLU A 37 -6.765 1.795 15.473 1.00 23.30 H new ATOM 0 HA GLU A 37 -7.158 -0.814 14.145 1.00 61.21 H new ATOM 0 HB2 GLU A 37 -9.038 1.321 15.172 1.00 13.30 H new ATOM 0 HB3 GLU A 37 -9.565 0.060 14.075 1.00 13.30 H new ATOM 0 HG2 GLU A 37 -8.790 -1.656 15.716 1.00 71.52 H new ATOM 0 HG3 GLU A 37 -8.338 -0.371 16.819 1.00 71.52 H new ATOM 578 N GLN A 38 -6.699 2.006 12.773 1.00 61.44 N ATOM 579 CA GLN A 38 -6.602 2.734 11.516 1.00 12.13 C ATOM 580 C GLN A 38 -5.755 1.969 10.507 1.00 72.42 C ATOM 581 O GLN A 38 -4.524 1.924 10.611 1.00 62.45 O ATOM 582 CB GLN A 38 -6.018 4.138 11.715 1.00 3.41 C ATOM 583 CG GLN A 38 -6.942 5.111 12.436 1.00 63.11 C ATOM 584 CD GLN A 38 -6.956 4.913 13.937 1.00 40.14 C ATOM 585 OE1 GLN A 38 -6.150 5.503 14.655 1.00 33.30 O ATOM 586 NE2 GLN A 38 -7.877 4.104 14.422 1.00 51.44 N ATOM 0 H GLN A 38 -6.180 2.425 13.545 1.00 61.44 H new ATOM 0 HA GLN A 38 -7.616 2.835 11.130 1.00 12.13 H new ATOM 0 HB2 GLN A 38 -5.089 4.054 12.278 1.00 3.41 H new ATOM 0 HB3 GLN A 38 -5.764 4.553 10.740 1.00 3.41 H new ATOM 0 HG2 GLN A 38 -6.631 6.132 12.213 1.00 63.11 H new ATOM 0 HG3 GLN A 38 -7.955 4.995 12.050 1.00 63.11 H new ATOM 0 HE21 GLN A 38 -8.526 3.634 13.791 1.00 51.44 H new ATOM 0 HE22 GLN A 38 -7.940 3.948 15.428 1.00 51.44 H new ATOM 595 N VAL A 39 -6.431 1.344 9.558 1.00 74.02 N ATOM 596 CA VAL A 39 -5.781 0.667 8.450 1.00 4.12 C ATOM 597 C VAL A 39 -6.112 1.390 7.151 1.00 34.55 C ATOM 598 O VAL A 39 -7.227 1.882 6.979 1.00 1.44 O ATOM 599 CB VAL A 39 -6.218 -0.814 8.348 1.00 52.44 C ATOM 600 CG1 VAL A 39 -5.724 -1.603 9.552 1.00 2.02 C ATOM 601 CG2 VAL A 39 -7.733 -0.926 8.228 1.00 51.21 C ATOM 0 H VAL A 39 -7.449 1.292 9.535 1.00 74.02 H new ATOM 0 HA VAL A 39 -4.706 0.685 8.627 1.00 4.12 H new ATOM 0 HB VAL A 39 -5.770 -1.236 7.448 1.00 52.44 H new ATOM 0 HG11 VAL A 39 -6.042 -2.642 9.461 1.00 2.02 H new ATOM 0 HG12 VAL A 39 -4.636 -1.559 9.595 1.00 2.02 H new ATOM 0 HG13 VAL A 39 -6.140 -1.174 10.464 1.00 2.02 H new ATOM 0 HG21 VAL A 39 -8.016 -1.976 8.158 1.00 51.21 H new ATOM 0 HG22 VAL A 39 -8.201 -0.482 9.106 1.00 51.21 H new ATOM 0 HG23 VAL A 39 -8.067 -0.400 7.334 1.00 51.21 H new ATOM 611 N TYR A 40 -5.150 1.480 6.251 1.00 20.31 N ATOM 612 CA TYR A 40 -5.348 2.223 5.016 1.00 31.12 C ATOM 613 C TYR A 40 -4.972 1.376 3.817 1.00 32.21 C ATOM 614 O TYR A 40 -3.796 1.162 3.548 1.00 53.14 O ATOM 615 CB TYR A 40 -4.519 3.509 5.024 1.00 53.00 C ATOM 616 CG TYR A 40 -4.798 4.405 6.210 1.00 2.13 C ATOM 617 CD1 TYR A 40 -5.956 5.169 6.273 1.00 52.41 C ATOM 618 CD2 TYR A 40 -3.904 4.481 7.271 1.00 4.54 C ATOM 619 CE1 TYR A 40 -6.217 5.981 7.358 1.00 23.11 C ATOM 620 CE2 TYR A 40 -4.157 5.292 8.361 1.00 34.25 C ATOM 621 CZ TYR A 40 -5.315 6.040 8.399 1.00 11.45 C ATOM 622 OH TYR A 40 -5.573 6.848 9.483 1.00 70.23 O ATOM 0 H TYR A 40 -4.229 1.052 6.349 1.00 20.31 H new ATOM 0 HA TYR A 40 -6.404 2.484 4.944 1.00 31.12 H new ATOM 0 HB2 TYR A 40 -3.461 3.249 5.018 1.00 53.00 H new ATOM 0 HB3 TYR A 40 -4.716 4.064 4.107 1.00 53.00 H new ATOM 0 HD1 TYR A 40 -6.664 5.127 5.459 1.00 52.41 H new ATOM 0 HD2 TYR A 40 -2.996 3.897 7.243 1.00 4.54 H new ATOM 0 HE1 TYR A 40 -7.123 6.567 7.391 1.00 23.11 H new ATOM 0 HE2 TYR A 40 -3.452 5.340 9.178 1.00 34.25 H new ATOM 0 HH TYR A 40 -4.839 6.774 10.128 1.00 70.23 H new ATOM 632 N ALA A 41 -5.967 0.879 3.112 1.00 13.34 N ATOM 633 CA ALA A 41 -5.727 0.080 1.926 1.00 45.00 C ATOM 634 C ALA A 41 -5.991 0.888 0.665 1.00 2.41 C ATOM 635 O ALA A 41 -7.140 1.134 0.295 1.00 74.30 O ATOM 636 CB ALA A 41 -6.587 -1.173 1.948 1.00 13.31 C ATOM 0 H ALA A 41 -6.952 1.014 3.339 1.00 13.34 H new ATOM 0 HA ALA A 41 -4.679 -0.219 1.922 1.00 45.00 H new ATOM 0 HB1 ALA A 41 -6.395 -1.762 1.051 1.00 13.31 H new ATOM 0 HB2 ALA A 41 -6.344 -1.766 2.830 1.00 13.31 H new ATOM 0 HB3 ALA A 41 -7.640 -0.891 1.979 1.00 13.31 H new ATOM 642 N ILE A 42 -4.920 1.316 0.015 1.00 43.14 N ATOM 643 CA ILE A 42 -5.023 2.078 -1.223 1.00 2.42 C ATOM 644 C ILE A 42 -4.030 1.544 -2.250 1.00 54.33 C ATOM 645 O ILE A 42 -3.005 0.967 -1.884 1.00 14.01 O ATOM 646 CB ILE A 42 -4.762 3.587 -0.994 1.00 14.23 C ATOM 647 CG1 ILE A 42 -3.380 3.813 -0.372 1.00 14.21 C ATOM 648 CG2 ILE A 42 -5.848 4.191 -0.115 1.00 12.40 C ATOM 649 CD1 ILE A 42 -3.028 5.275 -0.182 1.00 3.42 C ATOM 0 H ILE A 42 -3.963 1.148 0.326 1.00 43.14 H new ATOM 0 HA ILE A 42 -6.041 1.962 -1.594 1.00 2.42 H new ATOM 0 HB ILE A 42 -4.785 4.086 -1.963 1.00 14.23 H new ATOM 0 HG12 ILE A 42 -3.340 3.310 0.594 1.00 14.21 H new ATOM 0 HG13 ILE A 42 -2.626 3.346 -1.006 1.00 14.21 H new ATOM 0 HG21 ILE A 42 -5.647 5.252 0.034 1.00 12.40 H new ATOM 0 HG22 ILE A 42 -6.817 4.070 -0.599 1.00 12.40 H new ATOM 0 HG23 ILE A 42 -5.859 3.684 0.850 1.00 12.40 H new ATOM 0 HD11 ILE A 42 -2.036 5.356 0.263 1.00 3.42 H new ATOM 0 HD12 ILE A 42 -3.035 5.779 -1.148 1.00 3.42 H new ATOM 0 HD13 ILE A 42 -3.760 5.743 0.476 1.00 3.42 H new ATOM 661 N SER A 43 -4.322 1.729 -3.531 1.00 44.12 N ATOM 662 CA SER A 43 -3.433 1.256 -4.590 1.00 62.44 C ATOM 663 C SER A 43 -2.235 2.189 -4.763 1.00 41.24 C ATOM 664 O SER A 43 -1.964 2.684 -5.856 1.00 53.50 O ATOM 665 CB SER A 43 -4.194 1.113 -5.909 1.00 15.31 C ATOM 666 OG SER A 43 -5.160 0.080 -5.825 1.00 23.25 O ATOM 0 H SER A 43 -5.163 2.201 -3.863 1.00 44.12 H new ATOM 0 HA SER A 43 -3.057 0.275 -4.297 1.00 62.44 H new ATOM 0 HB2 SER A 43 -4.684 2.055 -6.155 1.00 15.31 H new ATOM 0 HB3 SER A 43 -3.494 0.897 -6.716 1.00 15.31 H new ATOM 0 HG SER A 43 -4.707 -0.786 -5.747 1.00 23.25 H new ATOM 672 N ASN A 44 -1.523 2.411 -3.671 1.00 35.25 N ATOM 673 CA ASN A 44 -0.324 3.244 -3.678 1.00 51.12 C ATOM 674 C ASN A 44 0.888 2.360 -3.937 1.00 15.03 C ATOM 675 O ASN A 44 1.711 2.113 -3.050 1.00 24.32 O ATOM 676 CB ASN A 44 -0.186 3.989 -2.345 1.00 14.32 C ATOM 677 CG ASN A 44 0.896 5.050 -2.370 1.00 4.23 C ATOM 678 OD1 ASN A 44 1.221 5.598 -3.421 1.00 30.13 O ATOM 679 ND2 ASN A 44 1.444 5.362 -1.205 1.00 53.24 N ATOM 0 H ASN A 44 -1.755 2.023 -2.757 1.00 35.25 H new ATOM 0 HA ASN A 44 -0.397 3.991 -4.468 1.00 51.12 H new ATOM 0 HB2 ASN A 44 -1.139 4.455 -2.095 1.00 14.32 H new ATOM 0 HB3 ASN A 44 0.035 3.271 -1.555 1.00 14.32 H new ATOM 0 HD21 ASN A 44 2.165 6.082 -1.157 1.00 53.24 H new ATOM 0 HD22 ASN A 44 1.145 4.882 -0.356 1.00 53.24 H new ATOM 686 N ILE A 45 0.960 1.847 -5.159 1.00 51.15 N ATOM 687 CA ILE A 45 1.943 0.837 -5.520 1.00 72.14 C ATOM 688 C ILE A 45 2.792 1.310 -6.688 1.00 13.54 C ATOM 689 O ILE A 45 2.275 1.894 -7.641 1.00 42.41 O ATOM 690 CB ILE A 45 1.251 -0.490 -5.925 1.00 4.31 C ATOM 691 CG1 ILE A 45 0.182 -0.888 -4.901 1.00 13.35 C ATOM 692 CG2 ILE A 45 2.272 -1.609 -6.082 1.00 43.02 C ATOM 693 CD1 ILE A 45 0.723 -1.117 -3.510 1.00 45.13 C ATOM 0 H ILE A 45 0.341 2.119 -5.923 1.00 51.15 H new ATOM 0 HA ILE A 45 2.573 0.670 -4.646 1.00 72.14 H new ATOM 0 HB ILE A 45 0.763 -0.329 -6.886 1.00 4.31 H new ATOM 0 HG12 ILE A 45 -0.577 -0.107 -4.861 1.00 13.35 H new ATOM 0 HG13 ILE A 45 -0.313 -1.797 -5.242 1.00 13.35 H new ATOM 0 HG21 ILE A 45 1.762 -2.529 -6.366 1.00 43.02 H new ATOM 0 HG22 ILE A 45 2.992 -1.339 -6.855 1.00 43.02 H new ATOM 0 HG23 ILE A 45 2.794 -1.760 -5.137 1.00 43.02 H new ATOM 0 HD11 ILE A 45 -0.093 -1.395 -2.843 1.00 45.13 H new ATOM 0 HD12 ILE A 45 1.461 -1.919 -3.534 1.00 45.13 H new ATOM 0 HD13 ILE A 45 1.193 -0.203 -3.147 1.00 45.13 H new ATOM 705 N ASP A 46 4.087 1.054 -6.604 1.00 34.00 N ATOM 706 CA ASP A 46 5.004 1.363 -7.689 1.00 52.22 C ATOM 707 C ASP A 46 4.677 0.533 -8.933 1.00 21.04 C ATOM 708 O ASP A 46 4.514 -0.686 -8.854 1.00 54.02 O ATOM 709 CB ASP A 46 6.442 1.101 -7.243 1.00 71.00 C ATOM 710 CG ASP A 46 7.398 1.015 -8.410 1.00 35.13 C ATOM 711 OD1 ASP A 46 7.823 2.073 -8.919 1.00 33.20 O ATOM 712 OD2 ASP A 46 7.710 -0.116 -8.831 1.00 44.31 O ATOM 0 H ASP A 46 4.530 0.630 -5.789 1.00 34.00 H new ATOM 0 HA ASP A 46 4.894 2.417 -7.946 1.00 52.22 H new ATOM 0 HB2 ASP A 46 6.763 1.898 -6.572 1.00 71.00 H new ATOM 0 HB3 ASP A 46 6.480 0.171 -6.676 1.00 71.00 H new ATOM 717 N PRO A 47 4.571 1.186 -10.099 1.00 74.42 N ATOM 718 CA PRO A 47 4.226 0.522 -11.355 1.00 50.44 C ATOM 719 C PRO A 47 5.443 -0.034 -12.100 1.00 65.42 C ATOM 720 O PRO A 47 5.341 -0.412 -13.270 1.00 72.54 O ATOM 721 CB PRO A 47 3.587 1.655 -12.147 1.00 32.21 C ATOM 722 CG PRO A 47 4.339 2.868 -11.723 1.00 55.24 C ATOM 723 CD PRO A 47 4.747 2.638 -10.287 1.00 72.24 C ATOM 0 HA PRO A 47 3.589 -0.349 -11.201 1.00 50.44 H new ATOM 0 HB2 PRO A 47 3.673 1.488 -13.221 1.00 32.21 H new ATOM 0 HB3 PRO A 47 2.524 1.747 -11.923 1.00 32.21 H new ATOM 0 HG2 PRO A 47 5.214 3.023 -12.355 1.00 55.24 H new ATOM 0 HG3 PRO A 47 3.719 3.760 -11.812 1.00 55.24 H new ATOM 0 HD2 PRO A 47 5.779 2.942 -10.111 1.00 72.24 H new ATOM 0 HD3 PRO A 47 4.125 3.209 -9.598 1.00 72.24 H new ATOM 731 N PHE A 48 6.582 -0.096 -11.427 1.00 55.11 N ATOM 732 CA PHE A 48 7.802 -0.597 -12.042 1.00 24.32 C ATOM 733 C PHE A 48 8.080 -2.035 -11.609 1.00 1.54 C ATOM 734 O PHE A 48 8.222 -2.924 -12.446 1.00 64.04 O ATOM 735 CB PHE A 48 8.987 0.310 -11.689 1.00 30.41 C ATOM 736 CG PHE A 48 10.313 -0.186 -12.194 1.00 13.44 C ATOM 737 CD1 PHE A 48 10.587 -0.224 -13.551 1.00 42.11 C ATOM 738 CD2 PHE A 48 11.291 -0.606 -11.305 1.00 44.31 C ATOM 739 CE1 PHE A 48 11.808 -0.673 -14.013 1.00 24.34 C ATOM 740 CE2 PHE A 48 12.514 -1.058 -11.762 1.00 42.43 C ATOM 741 CZ PHE A 48 12.773 -1.090 -13.118 1.00 13.21 C ATOM 0 H PHE A 48 6.687 0.194 -10.455 1.00 55.11 H new ATOM 0 HA PHE A 48 7.668 -0.590 -13.124 1.00 24.32 H new ATOM 0 HB2 PHE A 48 8.804 1.304 -12.097 1.00 30.41 H new ATOM 0 HB3 PHE A 48 9.040 0.415 -10.605 1.00 30.41 H new ATOM 0 HD1 PHE A 48 9.837 0.101 -14.256 1.00 42.11 H new ATOM 0 HD2 PHE A 48 11.094 -0.579 -10.243 1.00 44.31 H new ATOM 0 HE1 PHE A 48 12.008 -0.698 -15.074 1.00 24.34 H new ATOM 0 HE2 PHE A 48 13.266 -1.386 -11.060 1.00 42.43 H new ATOM 0 HZ PHE A 48 13.729 -1.441 -13.478 1.00 13.21 H new ATOM 751 N ALA A 49 8.137 -2.261 -10.305 1.00 53.44 N ATOM 752 CA ALA A 49 8.455 -3.582 -9.773 1.00 25.12 C ATOM 753 C ALA A 49 7.297 -4.126 -8.948 1.00 41.50 C ATOM 754 O ALA A 49 7.361 -5.236 -8.417 1.00 41.21 O ATOM 755 CB ALA A 49 9.722 -3.521 -8.933 1.00 3.44 C ATOM 0 H ALA A 49 7.968 -1.549 -9.595 1.00 53.44 H new ATOM 0 HA ALA A 49 8.623 -4.258 -10.612 1.00 25.12 H new ATOM 0 HB1 ALA A 49 9.948 -4.513 -8.542 1.00 3.44 H new ATOM 0 HB2 ALA A 49 10.552 -3.177 -9.550 1.00 3.44 H new ATOM 0 HB3 ALA A 49 9.576 -2.829 -8.104 1.00 3.44 H new ATOM 761 N GLN A 50 6.244 -3.322 -8.851 1.00 55.30 N ATOM 762 CA GLN A 50 5.040 -3.672 -8.105 1.00 33.20 C ATOM 763 C GLN A 50 5.343 -3.883 -6.623 1.00 52.44 C ATOM 764 O GLN A 50 5.395 -5.012 -6.136 1.00 10.34 O ATOM 765 CB GLN A 50 4.349 -4.918 -8.686 1.00 61.23 C ATOM 766 CG GLN A 50 3.521 -4.660 -9.938 1.00 11.30 C ATOM 767 CD GLN A 50 4.345 -4.173 -11.113 1.00 34.31 C ATOM 768 OE1 GLN A 50 4.861 -4.967 -11.896 1.00 64.22 O ATOM 769 NE2 GLN A 50 4.471 -2.866 -11.248 1.00 53.44 N ATOM 0 H GLN A 50 6.201 -2.403 -9.291 1.00 55.30 H new ATOM 0 HA GLN A 50 4.356 -2.829 -8.202 1.00 33.20 H new ATOM 0 HB2 GLN A 50 5.109 -5.664 -8.917 1.00 61.23 H new ATOM 0 HB3 GLN A 50 3.702 -5.348 -7.921 1.00 61.23 H new ATOM 0 HG2 GLN A 50 3.006 -5.578 -10.220 1.00 11.30 H new ATOM 0 HG3 GLN A 50 2.753 -3.921 -9.711 1.00 11.30 H new ATOM 0 HE21 GLN A 50 4.027 -2.239 -10.577 1.00 53.44 H new ATOM 0 HE22 GLN A 50 5.012 -2.483 -12.023 1.00 53.44 H new ATOM 778 N ALA A 51 5.564 -2.786 -5.922 1.00 75.23 N ATOM 779 CA ALA A 51 5.815 -2.816 -4.491 1.00 20.02 C ATOM 780 C ALA A 51 5.443 -1.482 -3.881 1.00 0.44 C ATOM 781 O ALA A 51 5.478 -0.447 -4.550 1.00 44.25 O ATOM 782 CB ALA A 51 7.275 -3.142 -4.200 1.00 74.50 C ATOM 0 H ALA A 51 5.575 -1.850 -6.327 1.00 75.23 H new ATOM 0 HA ALA A 51 5.201 -3.599 -4.046 1.00 20.02 H new ATOM 0 HB1 ALA A 51 7.436 -3.158 -3.122 1.00 74.50 H new ATOM 0 HB2 ALA A 51 7.520 -4.118 -4.618 1.00 74.50 H new ATOM 0 HB3 ALA A 51 7.914 -2.383 -4.651 1.00 74.50 H new ATOM 788 N SER A 52 5.066 -1.508 -2.624 1.00 31.54 N ATOM 789 CA SER A 52 4.706 -0.302 -1.920 1.00 52.15 C ATOM 790 C SER A 52 5.949 0.406 -1.391 1.00 23.14 C ATOM 791 O SER A 52 6.348 0.223 -0.242 1.00 54.54 O ATOM 792 CB SER A 52 3.746 -0.647 -0.790 1.00 74.42 C ATOM 793 OG SER A 52 4.157 -1.839 -0.142 1.00 63.12 O ATOM 0 H SER A 52 5.001 -2.359 -2.065 1.00 31.54 H new ATOM 0 HA SER A 52 4.210 0.383 -2.607 1.00 52.15 H new ATOM 0 HB2 SER A 52 3.710 0.172 -0.071 1.00 74.42 H new ATOM 0 HB3 SER A 52 2.737 -0.769 -1.185 1.00 74.42 H new ATOM 0 HG SER A 52 4.367 -1.646 0.795 1.00 63.12 H new ATOM 799 N VAL A 53 6.582 1.183 -2.254 1.00 24.15 N ATOM 800 CA VAL A 53 7.733 1.983 -1.855 1.00 41.14 C ATOM 801 C VAL A 53 7.309 3.430 -1.649 1.00 54.02 C ATOM 802 O VAL A 53 8.136 4.322 -1.472 1.00 42.23 O ATOM 803 CB VAL A 53 8.881 1.915 -2.887 1.00 11.53 C ATOM 804 CG1 VAL A 53 9.421 0.496 -3.000 1.00 13.14 C ATOM 805 CG2 VAL A 53 8.423 2.426 -4.248 1.00 73.31 C ATOM 0 H VAL A 53 6.320 1.278 -3.235 1.00 24.15 H new ATOM 0 HA VAL A 53 8.110 1.568 -0.920 1.00 41.14 H new ATOM 0 HB VAL A 53 9.686 2.561 -2.537 1.00 11.53 H new ATOM 0 HG11 VAL A 53 10.228 0.471 -3.732 1.00 13.14 H new ATOM 0 HG12 VAL A 53 9.800 0.173 -2.031 1.00 13.14 H new ATOM 0 HG13 VAL A 53 8.622 -0.173 -3.319 1.00 13.14 H new ATOM 0 HG21 VAL A 53 9.250 2.367 -4.956 1.00 73.31 H new ATOM 0 HG22 VAL A 53 7.595 1.815 -4.606 1.00 73.31 H new ATOM 0 HG23 VAL A 53 8.096 3.462 -4.157 1.00 73.31 H new ATOM 815 N LEU A 54 6.006 3.645 -1.685 1.00 75.32 N ATOM 816 CA LEU A 54 5.433 4.962 -1.473 1.00 44.01 C ATOM 817 C LEU A 54 4.727 5.003 -0.123 1.00 4.34 C ATOM 818 O LEU A 54 3.966 5.921 0.167 1.00 52.23 O ATOM 819 CB LEU A 54 4.441 5.302 -2.594 1.00 55.24 C ATOM 820 CG LEU A 54 5.038 5.383 -4.003 1.00 54.20 C ATOM 821 CD1 LEU A 54 5.135 4.001 -4.635 1.00 25.15 C ATOM 822 CD2 LEU A 54 4.213 6.312 -4.878 1.00 41.12 C ATOM 0 H LEU A 54 5.317 2.914 -1.861 1.00 75.32 H new ATOM 0 HA LEU A 54 6.235 5.701 -1.484 1.00 44.01 H new ATOM 0 HB2 LEU A 54 3.651 4.551 -2.596 1.00 55.24 H new ATOM 0 HB3 LEU A 54 3.972 6.258 -2.362 1.00 55.24 H new ATOM 0 HG LEU A 54 6.046 5.788 -3.920 1.00 54.20 H new ATOM 0 HD11 LEU A 54 5.562 4.087 -5.634 1.00 25.15 H new ATOM 0 HD12 LEU A 54 5.773 3.364 -4.022 1.00 25.15 H new ATOM 0 HD13 LEU A 54 4.140 3.561 -4.702 1.00 25.15 H new ATOM 0 HD21 LEU A 54 4.651 6.358 -5.875 1.00 41.12 H new ATOM 0 HD22 LEU A 54 3.192 5.936 -4.947 1.00 41.12 H new ATOM 0 HD23 LEU A 54 4.203 7.310 -4.440 1.00 41.12 H new ATOM 834 N SER A 55 4.998 3.997 0.696 1.00 73.03 N ATOM 835 CA SER A 55 4.350 3.855 1.990 1.00 54.32 C ATOM 836 C SER A 55 5.335 4.063 3.140 1.00 15.21 C ATOM 837 O SER A 55 5.219 5.014 3.910 1.00 43.22 O ATOM 838 CB SER A 55 3.724 2.464 2.079 1.00 31.33 C ATOM 839 OG SER A 55 4.648 1.475 1.664 1.00 73.11 O ATOM 0 H SER A 55 5.670 3.260 0.483 1.00 73.03 H new ATOM 0 HA SER A 55 3.580 4.621 2.080 1.00 54.32 H new ATOM 0 HB2 SER A 55 3.407 2.267 3.103 1.00 31.33 H new ATOM 0 HB3 SER A 55 2.831 2.420 1.455 1.00 31.33 H new ATOM 0 HG SER A 55 4.342 0.594 1.965 1.00 73.11 H new ATOM 845 N ARG A 56 6.310 3.170 3.239 1.00 41.34 N ATOM 846 CA ARG A 56 7.296 3.211 4.315 1.00 1.31 C ATOM 847 C ARG A 56 8.403 4.219 4.012 1.00 23.20 C ATOM 848 O ARG A 56 9.593 3.904 4.092 1.00 44.31 O ATOM 849 CB ARG A 56 7.890 1.815 4.536 1.00 22.33 C ATOM 850 CG ARG A 56 8.409 1.160 3.265 1.00 22.44 C ATOM 851 CD ARG A 56 9.136 -0.141 3.565 1.00 43.11 C ATOM 852 NE ARG A 56 9.626 -0.787 2.349 1.00 12.42 N ATOM 853 CZ ARG A 56 10.865 -0.647 1.877 1.00 45.32 C ATOM 854 NH1 ARG A 56 11.734 0.145 2.502 1.00 74.30 N ATOM 855 NH2 ARG A 56 11.232 -1.296 0.777 1.00 3.40 N ATOM 0 H ARG A 56 6.441 2.401 2.582 1.00 41.34 H new ATOM 0 HA ARG A 56 6.793 3.532 5.227 1.00 1.31 H new ATOM 0 HB2 ARG A 56 8.706 1.887 5.255 1.00 22.33 H new ATOM 0 HB3 ARG A 56 7.129 1.173 4.980 1.00 22.33 H new ATOM 0 HG2 ARG A 56 7.577 0.965 2.589 1.00 22.44 H new ATOM 0 HG3 ARG A 56 9.084 1.845 2.751 1.00 22.44 H new ATOM 0 HD2 ARG A 56 9.974 0.058 4.233 1.00 43.11 H new ATOM 0 HD3 ARG A 56 8.464 -0.819 4.090 1.00 43.11 H new ATOM 0 HE ARG A 56 8.980 -1.382 1.829 1.00 12.42 H new ATOM 0 HH11 ARG A 56 11.452 0.647 3.344 1.00 74.30 H new ATOM 0 HH12 ARG A 56 12.681 0.250 2.138 1.00 74.30 H new ATOM 0 HH21 ARG A 56 10.566 -1.900 0.295 1.00 3.40 H new ATOM 0 HH22 ARG A 56 12.180 -1.190 0.414 1.00 3.40 H new ATOM 869 N GLY A 57 8.003 5.432 3.671 1.00 64.34 N ATOM 870 CA GLY A 57 8.963 6.470 3.369 1.00 13.35 C ATOM 871 C GLY A 57 8.960 7.572 4.405 1.00 44.24 C ATOM 872 O GLY A 57 9.381 7.367 5.543 1.00 63.42 O ATOM 0 H GLY A 57 7.026 5.717 3.598 1.00 64.34 H new ATOM 0 HA2 GLY A 57 9.960 6.034 3.309 1.00 13.35 H new ATOM 0 HA3 GLY A 57 8.741 6.894 2.390 1.00 13.35 H new ATOM 876 N ILE A 58 8.486 8.739 4.012 1.00 61.52 N ATOM 877 CA ILE A 58 8.426 9.882 4.908 1.00 60.12 C ATOM 878 C ILE A 58 6.981 10.212 5.248 1.00 12.11 C ATOM 879 O ILE A 58 6.199 10.603 4.383 1.00 74.31 O ATOM 880 CB ILE A 58 9.104 11.124 4.289 1.00 33.33 C ATOM 881 CG1 ILE A 58 10.545 10.798 3.881 1.00 25.01 C ATOM 882 CG2 ILE A 58 9.076 12.289 5.273 1.00 34.15 C ATOM 883 CD1 ILE A 58 11.246 11.933 3.166 1.00 0.22 C ATOM 0 H ILE A 58 8.134 8.923 3.072 1.00 61.52 H new ATOM 0 HA ILE A 58 8.964 9.613 5.817 1.00 60.12 H new ATOM 0 HB ILE A 58 8.551 11.414 3.396 1.00 33.33 H new ATOM 0 HG12 ILE A 58 11.115 10.535 4.772 1.00 25.01 H new ATOM 0 HG13 ILE A 58 10.541 9.921 3.234 1.00 25.01 H new ATOM 0 HG21 ILE A 58 9.557 13.157 4.823 1.00 34.15 H new ATOM 0 HG22 ILE A 58 8.042 12.534 5.518 1.00 34.15 H new ATOM 0 HG23 ILE A 58 9.608 12.010 6.182 1.00 34.15 H new ATOM 0 HD11 ILE A 58 12.261 11.629 2.908 1.00 0.22 H new ATOM 0 HD12 ILE A 58 10.700 12.182 2.256 1.00 0.22 H new ATOM 0 HD13 ILE A 58 11.283 12.806 3.818 1.00 0.22 H new ATOM 895 N VAL A 59 6.634 10.036 6.510 1.00 41.43 N ATOM 896 CA VAL A 59 5.306 10.350 6.993 1.00 14.55 C ATOM 897 C VAL A 59 5.222 11.833 7.315 1.00 33.43 C ATOM 898 O VAL A 59 5.859 12.319 8.250 1.00 35.02 O ATOM 899 CB VAL A 59 4.957 9.520 8.246 1.00 51.51 C ATOM 900 CG1 VAL A 59 3.588 9.910 8.792 1.00 21.50 C ATOM 901 CG2 VAL A 59 5.004 8.032 7.929 1.00 42.42 C ATOM 0 H VAL A 59 7.264 9.673 7.225 1.00 41.43 H new ATOM 0 HA VAL A 59 4.587 10.100 6.213 1.00 14.55 H new ATOM 0 HB VAL A 59 5.700 9.733 9.014 1.00 51.51 H new ATOM 0 HG11 VAL A 59 3.364 9.311 9.675 1.00 21.50 H new ATOM 0 HG12 VAL A 59 3.591 10.966 9.061 1.00 21.50 H new ATOM 0 HG13 VAL A 59 2.828 9.732 8.031 1.00 21.50 H new ATOM 0 HG21 VAL A 59 4.755 7.461 8.824 1.00 42.42 H new ATOM 0 HG22 VAL A 59 4.285 7.805 7.142 1.00 42.42 H new ATOM 0 HG23 VAL A 59 6.006 7.763 7.594 1.00 42.42 H new ATOM 911 N ALA A 60 4.460 12.544 6.516 1.00 44.24 N ATOM 912 CA ALA A 60 4.317 13.982 6.671 1.00 11.24 C ATOM 913 C ALA A 60 2.971 14.335 7.285 1.00 2.35 C ATOM 914 O ALA A 60 1.925 14.062 6.703 1.00 41.20 O ATOM 915 CB ALA A 60 4.479 14.674 5.327 1.00 51.14 C ATOM 0 H ALA A 60 3.923 12.150 5.744 1.00 44.24 H new ATOM 0 HA ALA A 60 5.099 14.330 7.346 1.00 11.24 H new ATOM 0 HB1 ALA A 60 4.370 15.751 5.457 1.00 51.14 H new ATOM 0 HB2 ALA A 60 5.467 14.456 4.922 1.00 51.14 H new ATOM 0 HB3 ALA A 60 3.716 14.312 4.637 1.00 51.14 H new ATOM 921 N GLU A 61 2.997 14.926 8.462 1.00 20.20 N ATOM 922 CA GLU A 61 1.779 15.391 9.098 1.00 61.45 C ATOM 923 C GLU A 61 1.597 16.873 8.815 1.00 35.41 C ATOM 924 O GLU A 61 2.460 17.691 9.136 1.00 41.52 O ATOM 925 CB GLU A 61 1.821 15.129 10.605 1.00 51.22 C ATOM 926 CG GLU A 61 0.538 15.513 11.328 1.00 14.13 C ATOM 927 CD GLU A 61 0.611 15.271 12.822 1.00 30.22 C ATOM 928 OE1 GLU A 61 1.130 16.147 13.541 1.00 33.04 O ATOM 929 OE2 GLU A 61 0.151 14.206 13.283 1.00 42.41 O ATOM 0 H GLU A 61 3.848 15.096 8.998 1.00 20.20 H new ATOM 0 HA GLU A 61 0.931 14.842 8.689 1.00 61.45 H new ATOM 0 HB2 GLU A 61 2.021 14.071 10.776 1.00 51.22 H new ATOM 0 HB3 GLU A 61 2.652 15.685 11.039 1.00 51.22 H new ATOM 0 HG2 GLU A 61 0.325 16.566 11.145 1.00 14.13 H new ATOM 0 HG3 GLU A 61 -0.293 14.943 10.912 1.00 14.13 H new ATOM 936 N HIS A 62 0.481 17.203 8.194 1.00 62.14 N ATOM 937 CA HIS A 62 0.191 18.570 7.808 1.00 42.32 C ATOM 938 C HIS A 62 -0.892 19.130 8.723 1.00 64.33 C ATOM 939 O HIS A 62 -2.062 19.203 8.340 1.00 31.14 O ATOM 940 CB HIS A 62 -0.261 18.601 6.344 1.00 33.32 C ATOM 941 CG HIS A 62 0.033 19.878 5.620 1.00 42.15 C ATOM 942 ND1 HIS A 62 1.069 20.700 5.988 1.00 50.23 N ATOM 943 CD2 HIS A 62 -0.579 20.399 4.531 1.00 31.34 C ATOM 944 CE1 HIS A 62 1.068 21.693 5.114 1.00 32.50 C ATOM 945 NE2 HIS A 62 0.088 21.554 4.211 1.00 72.50 N ATOM 0 H HIS A 62 -0.247 16.534 7.944 1.00 62.14 H new ATOM 0 HA HIS A 62 1.085 19.186 7.907 1.00 42.32 H new ATOM 0 HB2 HIS A 62 0.221 17.780 5.813 1.00 33.32 H new ATOM 0 HB3 HIS A 62 -1.335 18.418 6.307 1.00 33.32 H new ATOM 0 HD2 HIS A 62 -1.431 19.984 4.013 1.00 31.34 H new ATOM 0 HE1 HIS A 62 1.770 22.514 5.127 1.00 32.50 H new ATOM 0 HE2 HIS A 62 -0.121 22.184 3.437 1.00 72.50 H new ATOM 953 N GLN A 63 -0.485 19.484 9.947 1.00 13.43 N ATOM 954 CA GLN A 63 -1.399 19.929 11.004 1.00 52.20 C ATOM 955 C GLN A 63 -2.329 18.806 11.448 1.00 14.21 C ATOM 956 O GLN A 63 -2.145 18.224 12.519 1.00 61.24 O ATOM 957 CB GLN A 63 -2.207 21.156 10.575 1.00 64.14 C ATOM 958 CG GLN A 63 -1.425 22.455 10.669 1.00 14.01 C ATOM 959 CD GLN A 63 -0.939 22.730 12.081 1.00 72.54 C ATOM 960 OE1 GLN A 63 -1.640 23.349 12.886 1.00 64.21 O ATOM 961 NE2 GLN A 63 0.266 22.281 12.391 1.00 42.43 N ATOM 0 H GLN A 63 0.494 19.470 10.233 1.00 13.43 H new ATOM 0 HA GLN A 63 -0.781 20.215 11.855 1.00 52.20 H new ATOM 0 HB2 GLN A 63 -2.546 21.018 9.548 1.00 64.14 H new ATOM 0 HB3 GLN A 63 -3.098 21.231 11.198 1.00 64.14 H new ATOM 0 HG2 GLN A 63 -0.570 22.412 9.994 1.00 14.01 H new ATOM 0 HG3 GLN A 63 -2.054 23.281 10.335 1.00 14.01 H new ATOM 0 HE21 GLN A 63 0.815 21.773 11.697 1.00 42.43 H new ATOM 0 HE22 GLN A 63 0.646 22.443 13.324 1.00 42.43 H new ATOM 970 N ASP A 64 -3.318 18.506 10.627 1.00 44.01 N ATOM 971 CA ASP A 64 -4.287 17.465 10.940 1.00 72.32 C ATOM 972 C ASP A 64 -4.290 16.398 9.851 1.00 2.50 C ATOM 973 O ASP A 64 -4.678 15.253 10.083 1.00 51.41 O ATOM 974 CB ASP A 64 -5.686 18.075 11.088 1.00 33.12 C ATOM 975 CG ASP A 64 -6.760 17.040 11.354 1.00 31.52 C ATOM 976 OD1 ASP A 64 -6.920 16.628 12.520 1.00 22.04 O ATOM 977 OD2 ASP A 64 -7.467 16.650 10.399 1.00 71.23 O ATOM 0 H ASP A 64 -3.474 18.970 9.732 1.00 44.01 H new ATOM 0 HA ASP A 64 -4.005 16.997 11.883 1.00 72.32 H new ATOM 0 HB2 ASP A 64 -5.676 18.798 11.904 1.00 33.12 H new ATOM 0 HB3 ASP A 64 -5.935 18.623 10.179 1.00 33.12 H new ATOM 982 N ASP A 65 -3.836 16.780 8.664 1.00 72.51 N ATOM 983 CA ASP A 65 -3.858 15.885 7.515 1.00 71.12 C ATOM 984 C ASP A 65 -2.619 14.992 7.520 1.00 63.03 C ATOM 985 O ASP A 65 -1.553 15.400 7.982 1.00 40.43 O ATOM 986 CB ASP A 65 -3.927 16.699 6.221 1.00 12.12 C ATOM 987 CG ASP A 65 -4.553 15.930 5.073 1.00 1.11 C ATOM 988 OD1 ASP A 65 -4.905 14.751 5.261 1.00 30.04 O ATOM 989 OD2 ASP A 65 -4.728 16.527 3.987 1.00 32.41 O ATOM 0 H ASP A 65 -3.448 17.704 8.472 1.00 72.51 H new ATOM 0 HA ASP A 65 -4.742 15.250 7.576 1.00 71.12 H new ATOM 0 HB2 ASP A 65 -4.502 17.608 6.399 1.00 12.12 H new ATOM 0 HB3 ASP A 65 -2.921 17.009 5.938 1.00 12.12 H new ATOM 994 N LEU A 66 -2.758 13.783 7.001 1.00 65.20 N ATOM 995 CA LEU A 66 -1.680 12.806 7.036 1.00 4.24 C ATOM 996 C LEU A 66 -1.232 12.437 5.632 1.00 52.45 C ATOM 997 O LEU A 66 -1.988 11.848 4.851 1.00 61.34 O ATOM 998 CB LEU A 66 -2.104 11.547 7.798 1.00 1.30 C ATOM 999 CG LEU A 66 -2.293 11.724 9.306 1.00 63.33 C ATOM 1000 CD1 LEU A 66 -2.705 10.408 9.948 1.00 64.14 C ATOM 1001 CD2 LEU A 66 -1.018 12.253 9.946 1.00 52.44 C ATOM 0 H LEU A 66 -3.610 13.453 6.548 1.00 65.20 H new ATOM 0 HA LEU A 66 -0.840 13.263 7.560 1.00 4.24 H new ATOM 0 HB2 LEU A 66 -3.039 11.183 7.372 1.00 1.30 H new ATOM 0 HB3 LEU A 66 -1.355 10.773 7.631 1.00 1.30 H new ATOM 0 HG LEU A 66 -3.087 12.452 9.470 1.00 63.33 H new ATOM 0 HD11 LEU A 66 -2.835 10.551 11.021 1.00 64.14 H new ATOM 0 HD12 LEU A 66 -3.644 10.068 9.511 1.00 64.14 H new ATOM 0 HD13 LEU A 66 -1.932 9.660 9.773 1.00 64.14 H new ATOM 0 HD21 LEU A 66 -1.172 12.372 11.018 1.00 52.44 H new ATOM 0 HD22 LEU A 66 -0.204 11.549 9.772 1.00 52.44 H new ATOM 0 HD23 LEU A 66 -0.763 13.217 9.506 1.00 52.44 H new ATOM 1013 N TRP A 67 0.005 12.779 5.325 1.00 44.02 N ATOM 1014 CA TRP A 67 0.562 12.564 4.006 1.00 54.14 C ATOM 1015 C TRP A 67 1.735 11.599 4.083 1.00 43.42 C ATOM 1016 O TRP A 67 2.284 11.356 5.161 1.00 1.31 O ATOM 1017 CB TRP A 67 1.030 13.896 3.415 1.00 71.10 C ATOM 1018 CG TRP A 67 -0.038 14.951 3.360 1.00 14.31 C ATOM 1019 CD1 TRP A 67 -0.560 15.649 4.414 1.00 1.24 C ATOM 1020 CD2 TRP A 67 -0.704 15.434 2.190 1.00 73.32 C ATOM 1021 NE1 TRP A 67 -1.506 16.537 3.966 1.00 71.13 N ATOM 1022 CE2 TRP A 67 -1.614 16.422 2.605 1.00 61.13 C ATOM 1023 CE3 TRP A 67 -0.621 15.122 0.831 1.00 60.30 C ATOM 1024 CZ2 TRP A 67 -2.430 17.107 1.708 1.00 13.31 C ATOM 1025 CZ3 TRP A 67 -1.432 15.802 -0.058 1.00 54.14 C ATOM 1026 CH2 TRP A 67 -2.328 16.782 0.384 1.00 24.24 C ATOM 0 H TRP A 67 0.651 13.214 5.984 1.00 44.02 H new ATOM 0 HA TRP A 67 -0.209 12.136 3.365 1.00 54.14 H new ATOM 0 HB2 TRP A 67 1.865 14.270 4.007 1.00 71.10 H new ATOM 0 HB3 TRP A 67 1.406 13.722 2.407 1.00 71.10 H new ATOM 0 HD1 TRP A 67 -0.271 15.520 5.447 1.00 1.24 H new ATOM 0 HE1 TRP A 67 -2.042 17.178 4.551 1.00 71.13 H new ATOM 0 HE3 TRP A 67 0.064 14.364 0.481 1.00 60.30 H new ATOM 0 HZ2 TRP A 67 -3.118 17.867 2.046 1.00 13.31 H new ATOM 0 HZ3 TRP A 67 -1.373 15.573 -1.112 1.00 54.14 H new ATOM 0 HH2 TRP A 67 -2.952 17.292 -0.335 1.00 24.24 H new ATOM 1037 N VAL A 68 2.115 11.055 2.942 1.00 33.24 N ATOM 1038 CA VAL A 68 3.251 10.160 2.859 1.00 11.01 C ATOM 1039 C VAL A 68 4.090 10.479 1.625 1.00 23.12 C ATOM 1040 O VAL A 68 3.557 10.760 0.549 1.00 54.20 O ATOM 1041 CB VAL A 68 2.807 8.679 2.831 1.00 3.22 C ATOM 1042 CG1 VAL A 68 1.965 8.370 1.596 1.00 65.03 C ATOM 1043 CG2 VAL A 68 4.013 7.756 2.914 1.00 70.25 C ATOM 0 H VAL A 68 1.647 11.221 2.051 1.00 33.24 H new ATOM 0 HA VAL A 68 3.857 10.312 3.753 1.00 11.01 H new ATOM 0 HB VAL A 68 2.180 8.503 3.705 1.00 3.22 H new ATOM 0 HG11 VAL A 68 1.671 7.321 1.610 1.00 65.03 H new ATOM 0 HG12 VAL A 68 1.073 8.997 1.597 1.00 65.03 H new ATOM 0 HG13 VAL A 68 2.549 8.572 0.698 1.00 65.03 H new ATOM 0 HG21 VAL A 68 3.679 6.719 2.893 1.00 70.25 H new ATOM 0 HG22 VAL A 68 4.673 7.942 2.067 1.00 70.25 H new ATOM 0 HG23 VAL A 68 4.552 7.945 3.842 1.00 70.25 H new ATOM 1053 N ALA A 69 5.398 10.473 1.798 1.00 11.12 N ATOM 1054 CA ALA A 69 6.313 10.719 0.704 1.00 42.33 C ATOM 1055 C ALA A 69 7.181 9.496 0.452 1.00 54.35 C ATOM 1056 O ALA A 69 7.728 8.910 1.386 1.00 34.21 O ATOM 1057 CB ALA A 69 7.179 11.930 1.005 1.00 32.21 C ATOM 0 H ALA A 69 5.852 10.299 2.695 1.00 11.12 H new ATOM 0 HA ALA A 69 5.732 10.921 -0.196 1.00 42.33 H new ATOM 0 HB1 ALA A 69 7.863 12.104 0.174 1.00 32.21 H new ATOM 0 HB2 ALA A 69 6.545 12.806 1.142 1.00 32.21 H new ATOM 0 HB3 ALA A 69 7.752 11.751 1.915 1.00 32.21 H new ATOM 1063 N SER A 70 7.289 9.100 -0.806 1.00 4.24 N ATOM 1064 CA SER A 70 8.154 7.994 -1.181 1.00 3.01 C ATOM 1065 C SER A 70 9.616 8.386 -0.979 1.00 73.33 C ATOM 1066 O SER A 70 10.032 9.470 -1.378 1.00 35.34 O ATOM 1067 CB SER A 70 7.904 7.601 -2.640 1.00 65.15 C ATOM 1068 OG SER A 70 8.718 6.506 -3.035 1.00 73.24 O ATOM 0 H SER A 70 6.788 9.528 -1.585 1.00 4.24 H new ATOM 0 HA SER A 70 7.930 7.136 -0.547 1.00 3.01 H new ATOM 0 HB2 SER A 70 6.854 7.340 -2.772 1.00 65.15 H new ATOM 0 HB3 SER A 70 8.104 8.455 -3.287 1.00 65.15 H new ATOM 0 HG SER A 70 8.457 5.706 -2.532 1.00 73.24 H new ATOM 1074 N PRO A 71 10.413 7.512 -0.351 1.00 40.20 N ATOM 1075 CA PRO A 71 11.826 7.795 -0.077 1.00 13.21 C ATOM 1076 C PRO A 71 12.653 7.891 -1.357 1.00 34.44 C ATOM 1077 O PRO A 71 13.614 8.656 -1.437 1.00 33.14 O ATOM 1078 CB PRO A 71 12.273 6.591 0.756 1.00 73.33 C ATOM 1079 CG PRO A 71 11.319 5.504 0.395 1.00 62.25 C ATOM 1080 CD PRO A 71 10.007 6.186 0.141 1.00 62.24 C ATOM 0 HA PRO A 71 11.961 8.753 0.425 1.00 13.21 H new ATOM 0 HB2 PRO A 71 13.300 6.309 0.525 1.00 73.33 H new ATOM 0 HB3 PRO A 71 12.236 6.812 1.823 1.00 73.33 H new ATOM 0 HG2 PRO A 71 11.657 4.963 -0.489 1.00 62.25 H new ATOM 0 HG3 PRO A 71 11.232 4.775 1.201 1.00 62.25 H new ATOM 0 HD2 PRO A 71 9.408 5.649 -0.595 1.00 62.24 H new ATOM 0 HD3 PRO A 71 9.407 6.258 1.048 1.00 62.24 H new ATOM 1088 N LEU A 72 12.258 7.118 -2.360 1.00 31.01 N ATOM 1089 CA LEU A 72 13.003 7.050 -3.610 1.00 22.20 C ATOM 1090 C LEU A 72 12.345 7.902 -4.688 1.00 34.00 C ATOM 1091 O LEU A 72 12.966 8.810 -5.238 1.00 63.41 O ATOM 1092 CB LEU A 72 13.103 5.598 -4.088 1.00 53.44 C ATOM 1093 CG LEU A 72 13.727 4.623 -3.086 1.00 40.40 C ATOM 1094 CD1 LEU A 72 13.759 3.215 -3.659 1.00 2.31 C ATOM 1095 CD2 LEU A 72 15.126 5.076 -2.700 1.00 73.32 C ATOM 0 H LEU A 72 11.426 6.529 -2.332 1.00 31.01 H new ATOM 0 HA LEU A 72 14.004 7.440 -3.426 1.00 22.20 H new ATOM 0 HB2 LEU A 72 12.103 5.245 -4.339 1.00 53.44 H new ATOM 0 HB3 LEU A 72 13.689 5.574 -5.007 1.00 53.44 H new ATOM 0 HG LEU A 72 13.110 4.613 -2.187 1.00 40.40 H new ATOM 0 HD11 LEU A 72 14.206 2.537 -2.932 1.00 2.31 H new ATOM 0 HD12 LEU A 72 12.743 2.890 -3.882 1.00 2.31 H new ATOM 0 HD13 LEU A 72 14.351 3.208 -4.574 1.00 2.31 H new ATOM 0 HD21 LEU A 72 15.553 4.371 -1.987 1.00 73.32 H new ATOM 0 HD22 LEU A 72 15.754 5.117 -3.590 1.00 73.32 H new ATOM 0 HD23 LEU A 72 15.076 6.065 -2.245 1.00 73.32 H new ATOM 1107 N LYS A 73 11.076 7.622 -4.968 1.00 53.41 N ATOM 1108 CA LYS A 73 10.371 8.285 -6.062 1.00 44.40 C ATOM 1109 C LYS A 73 9.906 9.676 -5.641 1.00 22.11 C ATOM 1110 O LYS A 73 9.614 10.527 -6.482 1.00 2.14 O ATOM 1111 CB LYS A 73 9.178 7.435 -6.518 1.00 5.41 C ATOM 1112 CG LYS A 73 9.477 5.941 -6.535 1.00 10.10 C ATOM 1113 CD LYS A 73 8.563 5.178 -7.480 1.00 55.12 C ATOM 1114 CE LYS A 73 8.996 5.359 -8.925 1.00 22.33 C ATOM 1115 NZ LYS A 73 8.221 4.495 -9.857 1.00 35.41 N ATOM 0 H LYS A 73 10.515 6.942 -4.454 1.00 53.41 H new ATOM 0 HA LYS A 73 11.061 8.396 -6.899 1.00 44.40 H new ATOM 0 HB2 LYS A 73 8.333 7.622 -5.856 1.00 5.41 H new ATOM 0 HB3 LYS A 73 8.876 7.750 -7.517 1.00 5.41 H new ATOM 0 HG2 LYS A 73 10.514 5.784 -6.831 1.00 10.10 H new ATOM 0 HG3 LYS A 73 9.369 5.540 -5.527 1.00 10.10 H new ATOM 0 HD2 LYS A 73 8.573 4.119 -7.224 1.00 55.12 H new ATOM 0 HD3 LYS A 73 7.537 5.526 -7.358 1.00 55.12 H new ATOM 0 HE2 LYS A 73 8.871 6.403 -9.212 1.00 22.33 H new ATOM 0 HE3 LYS A 73 10.057 5.128 -9.016 1.00 22.33 H new ATOM 0 HZ1 LYS A 73 8.739 4.400 -10.754 1.00 35.41 H new ATOM 0 HZ2 LYS A 73 8.090 3.555 -9.432 1.00 35.41 H new ATOM 0 HZ3 LYS A 73 7.292 4.925 -10.038 1.00 35.41 H new ATOM 1129 N LYS A 74 9.836 9.884 -4.328 1.00 44.12 N ATOM 1130 CA LYS A 74 9.495 11.178 -3.734 1.00 3.45 C ATOM 1131 C LYS A 74 8.139 11.707 -4.202 1.00 41.11 C ATOM 1132 O LYS A 74 7.953 12.912 -4.353 1.00 11.34 O ATOM 1133 CB LYS A 74 10.598 12.205 -4.002 1.00 22.23 C ATOM 1134 CG LYS A 74 11.927 11.834 -3.360 1.00 61.11 C ATOM 1135 CD LYS A 74 12.890 13.011 -3.332 1.00 20.24 C ATOM 1136 CE LYS A 74 13.245 13.492 -4.730 1.00 63.51 C ATOM 1137 NZ LYS A 74 14.178 14.648 -4.692 1.00 74.22 N ATOM 0 H LYS A 74 10.016 9.154 -3.639 1.00 44.12 H new ATOM 0 HA LYS A 74 9.414 11.017 -2.659 1.00 3.45 H new ATOM 0 HB2 LYS A 74 10.737 12.308 -5.078 1.00 22.23 H new ATOM 0 HB3 LYS A 74 10.279 13.178 -3.628 1.00 22.23 H new ATOM 0 HG2 LYS A 74 11.754 11.482 -2.343 1.00 61.11 H new ATOM 0 HG3 LYS A 74 12.378 11.008 -3.910 1.00 61.11 H new ATOM 0 HD2 LYS A 74 12.444 13.831 -2.769 1.00 20.24 H new ATOM 0 HD3 LYS A 74 13.800 12.722 -2.806 1.00 20.24 H new ATOM 0 HE2 LYS A 74 13.699 12.676 -5.291 1.00 63.51 H new ATOM 0 HE3 LYS A 74 12.335 13.775 -5.259 1.00 63.51 H new ATOM 0 HZ1 LYS A 74 14.398 14.949 -5.663 1.00 74.22 H new ATOM 0 HZ2 LYS A 74 13.734 15.435 -4.178 1.00 74.22 H new ATOM 0 HZ3 LYS A 74 15.056 14.370 -4.209 1.00 74.22 H new ATOM 1151 N GLN A 75 7.195 10.805 -4.421 1.00 52.04 N ATOM 1152 CA GLN A 75 5.809 11.195 -4.645 1.00 53.21 C ATOM 1153 C GLN A 75 5.134 11.421 -3.294 1.00 35.44 C ATOM 1154 O GLN A 75 5.380 10.674 -2.346 1.00 20.31 O ATOM 1155 CB GLN A 75 5.062 10.116 -5.431 1.00 23.15 C ATOM 1156 CG GLN A 75 5.401 10.064 -6.914 1.00 21.24 C ATOM 1157 CD GLN A 75 4.780 11.204 -7.703 1.00 44.42 C ATOM 1158 OE1 GLN A 75 3.642 11.104 -8.172 1.00 30.42 O ATOM 1159 NE2 GLN A 75 5.524 12.281 -7.881 1.00 31.35 N ATOM 0 H GLN A 75 7.361 9.799 -4.449 1.00 52.04 H new ATOM 0 HA GLN A 75 5.786 12.115 -5.230 1.00 53.21 H new ATOM 0 HB2 GLN A 75 5.281 9.145 -4.987 1.00 23.15 H new ATOM 0 HB3 GLN A 75 3.990 10.282 -5.322 1.00 23.15 H new ATOM 0 HG2 GLN A 75 6.484 10.093 -7.035 1.00 21.24 H new ATOM 0 HG3 GLN A 75 5.059 9.115 -7.327 1.00 21.24 H new ATOM 0 HE21 GLN A 75 6.460 12.327 -7.478 1.00 31.35 H new ATOM 0 HE22 GLN A 75 5.163 13.067 -8.422 1.00 31.35 H new ATOM 1168 N HIS A 76 4.309 12.456 -3.202 1.00 72.11 N ATOM 1169 CA HIS A 76 3.674 12.816 -1.938 1.00 33.31 C ATOM 1170 C HIS A 76 2.158 12.661 -2.049 1.00 35.43 C ATOM 1171 O HIS A 76 1.518 13.367 -2.829 1.00 44.22 O ATOM 1172 CB HIS A 76 4.007 14.268 -1.560 1.00 75.31 C ATOM 1173 CG HIS A 76 5.420 14.687 -1.845 1.00 4.21 C ATOM 1174 ND1 HIS A 76 5.821 15.159 -3.075 1.00 44.40 N ATOM 1175 CD2 HIS A 76 6.521 14.730 -1.056 1.00 23.14 C ATOM 1176 CE1 HIS A 76 7.099 15.473 -3.033 1.00 53.41 C ATOM 1177 NE2 HIS A 76 7.548 15.225 -1.821 1.00 10.20 N ATOM 0 H HIS A 76 4.063 13.061 -3.986 1.00 72.11 H new ATOM 0 HA HIS A 76 4.054 12.149 -1.164 1.00 33.31 H new ATOM 0 HB2 HIS A 76 3.331 14.932 -2.098 1.00 75.31 H new ATOM 0 HB3 HIS A 76 3.810 14.406 -0.497 1.00 75.31 H new ATOM 0 HD1 HIS A 76 5.220 15.251 -3.894 1.00 44.40 H new ATOM 0 HD2 HIS A 76 6.580 14.431 -0.020 1.00 23.14 H new ATOM 0 HE1 HIS A 76 7.680 15.867 -3.854 1.00 53.41 H new ATOM 1186 N PHE A 77 1.587 11.745 -1.277 1.00 33.13 N ATOM 1187 CA PHE A 77 0.145 11.503 -1.316 1.00 72.21 C ATOM 1188 C PHE A 77 -0.439 11.518 0.088 1.00 70.43 C ATOM 1189 O PHE A 77 0.295 11.478 1.068 1.00 73.11 O ATOM 1190 CB PHE A 77 -0.165 10.147 -1.958 1.00 72.53 C ATOM 1191 CG PHE A 77 0.348 9.990 -3.360 1.00 31.30 C ATOM 1192 CD1 PHE A 77 -0.258 10.656 -4.410 1.00 61.52 C ATOM 1193 CD2 PHE A 77 1.432 9.170 -3.625 1.00 71.40 C ATOM 1194 CE1 PHE A 77 0.208 10.507 -5.702 1.00 4.52 C ATOM 1195 CE2 PHE A 77 1.901 9.017 -4.914 1.00 43.14 C ATOM 1196 CZ PHE A 77 1.288 9.686 -5.952 1.00 51.42 C ATOM 0 H PHE A 77 2.096 11.157 -0.617 1.00 33.13 H new ATOM 0 HA PHE A 77 -0.303 12.299 -1.911 1.00 72.21 H new ATOM 0 HB2 PHE A 77 0.263 9.359 -1.338 1.00 72.53 H new ATOM 0 HB3 PHE A 77 -1.245 9.999 -1.961 1.00 72.53 H new ATOM 0 HD1 PHE A 77 -1.104 11.299 -4.218 1.00 61.52 H new ATOM 0 HD2 PHE A 77 1.915 8.645 -2.815 1.00 71.40 H new ATOM 0 HE1 PHE A 77 -0.272 11.032 -6.514 1.00 4.52 H new ATOM 0 HE2 PHE A 77 2.747 8.374 -5.109 1.00 43.14 H new ATOM 0 HZ PHE A 77 1.654 9.567 -6.961 1.00 51.42 H new ATOM 1206 N ARG A 78 -1.761 11.580 0.179 1.00 41.51 N ATOM 1207 CA ARG A 78 -2.447 11.408 1.458 1.00 3.31 C ATOM 1208 C ARG A 78 -2.580 9.924 1.780 1.00 54.22 C ATOM 1209 O ARG A 78 -2.757 9.105 0.879 1.00 45.23 O ATOM 1210 CB ARG A 78 -3.840 12.039 1.439 1.00 42.14 C ATOM 1211 CG ARG A 78 -3.850 13.556 1.462 1.00 34.45 C ATOM 1212 CD ARG A 78 -5.277 14.080 1.439 1.00 3.10 C ATOM 1213 NE ARG A 78 -5.346 15.533 1.520 1.00 4.12 N ATOM 1214 CZ ARG A 78 -5.955 16.299 0.617 1.00 5.32 C ATOM 1215 NH1 ARG A 78 -6.529 15.748 -0.450 1.00 71.23 N ATOM 1216 NH2 ARG A 78 -5.987 17.618 0.781 1.00 20.34 N ATOM 0 H ARG A 78 -2.381 11.748 -0.614 1.00 41.51 H new ATOM 0 HA ARG A 78 -1.851 11.908 2.221 1.00 3.31 H new ATOM 0 HB2 ARG A 78 -4.366 11.699 0.546 1.00 42.14 H new ATOM 0 HB3 ARG A 78 -4.402 11.673 2.298 1.00 42.14 H new ATOM 0 HG2 ARG A 78 -3.339 13.915 2.355 1.00 34.45 H new ATOM 0 HG3 ARG A 78 -3.301 13.942 0.603 1.00 34.45 H new ATOM 0 HD2 ARG A 78 -5.766 13.748 0.523 1.00 3.10 H new ATOM 0 HD3 ARG A 78 -5.832 13.647 2.272 1.00 3.10 H new ATOM 0 HE ARG A 78 -4.901 15.991 2.316 1.00 4.12 H new ATOM 0 HH11 ARG A 78 -6.503 14.736 -0.578 1.00 71.23 H new ATOM 0 HH12 ARG A 78 -6.995 16.337 -1.140 1.00 71.23 H new ATOM 0 HH21 ARG A 78 -5.546 18.041 1.597 1.00 20.34 H new ATOM 0 HH22 ARG A 78 -6.453 18.207 0.090 1.00 20.34 H new ATOM 1230 N LEU A 79 -2.519 9.586 3.063 1.00 61.41 N ATOM 1231 CA LEU A 79 -2.611 8.194 3.498 1.00 3.33 C ATOM 1232 C LEU A 79 -4.001 7.612 3.254 1.00 51.43 C ATOM 1233 O LEU A 79 -4.152 6.408 3.070 1.00 62.43 O ATOM 1234 CB LEU A 79 -2.265 8.075 4.986 1.00 1.34 C ATOM 1235 CG LEU A 79 -0.826 8.437 5.354 1.00 1.40 C ATOM 1236 CD1 LEU A 79 -0.636 8.407 6.862 1.00 63.15 C ATOM 1237 CD2 LEU A 79 0.147 7.484 4.682 1.00 3.04 C ATOM 0 H LEU A 79 -2.406 10.257 3.823 1.00 61.41 H new ATOM 0 HA LEU A 79 -1.894 7.625 2.906 1.00 3.33 H new ATOM 0 HB2 LEU A 79 -2.940 8.718 5.551 1.00 1.34 H new ATOM 0 HB3 LEU A 79 -2.458 7.051 5.306 1.00 1.34 H new ATOM 0 HG LEU A 79 -0.625 9.448 5.001 1.00 1.40 H new ATOM 0 HD11 LEU A 79 0.394 8.667 7.104 1.00 63.15 H new ATOM 0 HD12 LEU A 79 -1.311 9.125 7.328 1.00 63.15 H new ATOM 0 HD13 LEU A 79 -0.855 7.407 7.237 1.00 63.15 H new ATOM 0 HD21 LEU A 79 1.167 7.755 4.954 1.00 3.04 H new ATOM 0 HD22 LEU A 79 -0.057 6.465 5.009 1.00 3.04 H new ATOM 0 HD23 LEU A 79 0.030 7.548 3.600 1.00 3.04 H new ATOM 1249 N TYR A 80 -5.011 8.469 3.251 1.00 21.41 N ATOM 1250 CA TYR A 80 -6.394 8.015 3.149 1.00 14.12 C ATOM 1251 C TYR A 80 -7.176 8.810 2.109 1.00 11.15 C ATOM 1252 O TYR A 80 -8.362 9.082 2.288 1.00 24.14 O ATOM 1253 CB TYR A 80 -7.076 8.115 4.520 1.00 71.24 C ATOM 1254 CG TYR A 80 -6.711 9.361 5.302 1.00 62.11 C ATOM 1255 CD1 TYR A 80 -7.166 10.616 4.918 1.00 25.33 C ATOM 1256 CD2 TYR A 80 -5.906 9.275 6.432 1.00 55.34 C ATOM 1257 CE1 TYR A 80 -6.826 11.746 5.634 1.00 31.14 C ATOM 1258 CE2 TYR A 80 -5.563 10.400 7.152 1.00 11.44 C ATOM 1259 CZ TYR A 80 -6.027 11.632 6.751 1.00 13.43 C ATOM 1260 OH TYR A 80 -5.681 12.755 7.466 1.00 44.51 O ATOM 0 H TYR A 80 -4.902 9.481 3.318 1.00 21.41 H new ATOM 0 HA TYR A 80 -6.383 6.975 2.823 1.00 14.12 H new ATOM 0 HB2 TYR A 80 -8.157 8.091 4.379 1.00 71.24 H new ATOM 0 HB3 TYR A 80 -6.812 7.238 5.110 1.00 71.24 H new ATOM 0 HD1 TYR A 80 -7.796 10.709 4.046 1.00 25.33 H new ATOM 0 HD2 TYR A 80 -5.543 8.310 6.752 1.00 55.34 H new ATOM 0 HE1 TYR A 80 -7.185 12.715 5.320 1.00 31.14 H new ATOM 0 HE2 TYR A 80 -4.934 10.315 8.026 1.00 11.44 H new ATOM 0 HH TYR A 80 -5.579 13.514 6.854 1.00 44.51 H new ATOM 1270 N ASP A 81 -6.521 9.162 1.013 1.00 71.05 N ATOM 1271 CA ASP A 81 -7.170 9.950 -0.027 1.00 11.13 C ATOM 1272 C ASP A 81 -6.610 9.613 -1.404 1.00 53.13 C ATOM 1273 O ASP A 81 -7.336 9.137 -2.275 1.00 2.04 O ATOM 1274 CB ASP A 81 -7.014 11.437 0.274 1.00 45.31 C ATOM 1275 CG ASP A 81 -7.515 12.320 -0.842 1.00 31.42 C ATOM 1276 OD1 ASP A 81 -8.713 12.237 -1.184 1.00 13.35 O ATOM 1277 OD2 ASP A 81 -6.712 13.118 -1.359 1.00 4.31 O ATOM 0 H ASP A 81 -5.550 8.918 0.820 1.00 71.05 H new ATOM 0 HA ASP A 81 -8.232 9.703 -0.036 1.00 11.13 H new ATOM 0 HB2 ASP A 81 -7.555 11.675 1.189 1.00 45.31 H new ATOM 0 HB3 ASP A 81 -5.962 11.656 0.459 1.00 45.31 H new ATOM 1282 N GLY A 82 -5.322 9.860 -1.603 1.00 12.32 N ATOM 1283 CA GLY A 82 -4.686 9.462 -2.846 1.00 10.10 C ATOM 1284 C GLY A 82 -4.235 10.629 -3.700 1.00 1.54 C ATOM 1285 O GLY A 82 -3.494 10.438 -4.668 1.00 22.33 O ATOM 0 H GLY A 82 -4.709 10.325 -0.933 1.00 12.32 H new ATOM 0 HA2 GLY A 82 -3.824 8.835 -2.618 1.00 10.10 H new ATOM 0 HA3 GLY A 82 -5.382 8.850 -3.420 1.00 10.10 H new ATOM 1289 N PHE A 83 -4.679 11.836 -3.362 1.00 32.32 N ATOM 1290 CA PHE A 83 -4.282 13.022 -4.116 1.00 52.24 C ATOM 1291 C PHE A 83 -2.853 13.430 -3.790 1.00 62.53 C ATOM 1292 O PHE A 83 -2.305 13.062 -2.746 1.00 63.52 O ATOM 1293 CB PHE A 83 -5.235 14.192 -3.858 1.00 35.52 C ATOM 1294 CG PHE A 83 -6.563 14.066 -4.559 1.00 13.15 C ATOM 1295 CD1 PHE A 83 -6.822 13.000 -5.411 1.00 32.20 C ATOM 1296 CD2 PHE A 83 -7.551 15.018 -4.372 1.00 65.22 C ATOM 1297 CE1 PHE A 83 -8.038 12.888 -6.057 1.00 52.13 C ATOM 1298 CE2 PHE A 83 -8.769 14.910 -5.017 1.00 43.00 C ATOM 1299 CZ PHE A 83 -9.012 13.845 -5.861 1.00 54.11 C ATOM 0 H PHE A 83 -5.307 12.019 -2.580 1.00 32.32 H new ATOM 0 HA PHE A 83 -4.335 12.763 -5.173 1.00 52.24 H new ATOM 0 HB2 PHE A 83 -5.408 14.276 -2.785 1.00 35.52 H new ATOM 0 HB3 PHE A 83 -4.754 15.117 -4.177 1.00 35.52 H new ATOM 0 HD1 PHE A 83 -6.063 12.249 -5.571 1.00 32.20 H new ATOM 0 HD2 PHE A 83 -7.368 15.855 -3.714 1.00 65.22 H new ATOM 0 HE1 PHE A 83 -8.226 12.052 -6.715 1.00 52.13 H new ATOM 0 HE2 PHE A 83 -9.531 15.659 -4.860 1.00 43.00 H new ATOM 0 HZ PHE A 83 -9.963 13.761 -6.367 1.00 54.11 H new ATOM 1309 N CYS A 84 -2.264 14.207 -4.687 1.00 44.34 N ATOM 1310 CA CYS A 84 -0.867 14.591 -4.576 1.00 51.52 C ATOM 1311 C CYS A 84 -0.700 15.859 -3.740 1.00 54.14 C ATOM 1312 O CYS A 84 -1.600 16.701 -3.677 1.00 60.44 O ATOM 1313 CB CYS A 84 -0.281 14.817 -5.968 1.00 42.20 C ATOM 1314 SG CYS A 84 -0.427 13.401 -7.085 1.00 10.12 S ATOM 0 H CYS A 84 -2.738 14.586 -5.507 1.00 44.34 H new ATOM 0 HA CYS A 84 -0.336 13.781 -4.076 1.00 51.52 H new ATOM 0 HB2 CYS A 84 -0.778 15.674 -6.422 1.00 42.20 H new ATOM 0 HB3 CYS A 84 0.773 15.076 -5.867 1.00 42.20 H new ATOM 0 HG CYS A 84 0.267 12.406 -6.617 1.00 10.12 H new ATOM 1320 N LEU A 85 0.454 15.988 -3.098 1.00 2.31 N ATOM 1321 CA LEU A 85 0.774 17.183 -2.326 1.00 63.40 C ATOM 1322 C LEU A 85 1.436 18.226 -3.216 1.00 43.55 C ATOM 1323 O LEU A 85 0.929 19.337 -3.375 1.00 12.50 O ATOM 1324 CB LEU A 85 1.702 16.831 -1.157 1.00 11.25 C ATOM 1325 CG LEU A 85 2.118 18.008 -0.274 1.00 41.43 C ATOM 1326 CD1 LEU A 85 0.906 18.624 0.411 1.00 32.32 C ATOM 1327 CD2 LEU A 85 3.147 17.563 0.753 1.00 50.44 C ATOM 0 H LEU A 85 1.186 15.278 -3.096 1.00 2.31 H new ATOM 0 HA LEU A 85 -0.154 17.595 -1.928 1.00 63.40 H new ATOM 0 HB2 LEU A 85 1.206 16.087 -0.533 1.00 11.25 H new ATOM 0 HB3 LEU A 85 2.601 16.363 -1.557 1.00 11.25 H new ATOM 0 HG LEU A 85 2.571 18.770 -0.908 1.00 41.43 H new ATOM 0 HD11 LEU A 85 1.226 19.459 1.034 1.00 32.32 H new ATOM 0 HD12 LEU A 85 0.204 18.981 -0.343 1.00 32.32 H new ATOM 0 HD13 LEU A 85 0.419 17.873 1.033 1.00 32.32 H new ATOM 0 HD21 LEU A 85 3.433 18.412 1.373 1.00 50.44 H new ATOM 0 HD22 LEU A 85 2.719 16.782 1.382 1.00 50.44 H new ATOM 0 HD23 LEU A 85 4.028 17.175 0.241 1.00 50.44 H new ATOM 1339 N GLU A 86 2.558 17.847 -3.810 1.00 20.45 N ATOM 1340 CA GLU A 86 3.342 18.746 -4.651 1.00 54.24 C ATOM 1341 C GLU A 86 3.554 18.105 -6.012 1.00 62.32 C ATOM 1342 O GLU A 86 4.441 18.492 -6.773 1.00 64.54 O ATOM 1343 CB GLU A 86 4.702 19.013 -4.000 1.00 21.23 C ATOM 1344 CG GLU A 86 4.622 19.616 -2.608 1.00 65.31 C ATOM 1345 CD GLU A 86 4.193 21.067 -2.620 1.00 62.33 C ATOM 1346 OE1 GLU A 86 5.049 21.937 -2.872 1.00 52.34 O ATOM 1347 OE2 GLU A 86 3.005 21.346 -2.364 1.00 71.24 O ATOM 0 H GLU A 86 2.952 16.910 -3.724 1.00 20.45 H new ATOM 0 HA GLU A 86 2.807 19.688 -4.766 1.00 54.24 H new ATOM 0 HB2 GLU A 86 5.256 18.076 -3.946 1.00 21.23 H new ATOM 0 HB3 GLU A 86 5.273 19.684 -4.642 1.00 21.23 H new ATOM 0 HG2 GLU A 86 3.919 19.039 -2.007 1.00 65.31 H new ATOM 0 HG3 GLU A 86 5.596 19.534 -2.125 1.00 65.31 H new ATOM 1354 N ASP A 87 2.721 17.125 -6.313 1.00 10.32 N ATOM 1355 CA ASP A 87 2.949 16.254 -7.450 1.00 62.40 C ATOM 1356 C ASP A 87 1.756 16.260 -8.389 1.00 23.24 C ATOM 1357 O ASP A 87 0.762 16.953 -8.156 1.00 53.13 O ATOM 1358 CB ASP A 87 3.197 14.823 -6.960 1.00 42.31 C ATOM 1359 CG ASP A 87 4.122 14.769 -5.762 1.00 40.22 C ATOM 1360 OD1 ASP A 87 3.648 15.000 -4.628 1.00 11.34 O ATOM 1361 OD2 ASP A 87 5.324 14.503 -5.939 1.00 44.51 O ATOM 0 H ASP A 87 1.876 16.912 -5.782 1.00 10.32 H new ATOM 0 HA ASP A 87 3.821 16.621 -7.991 1.00 62.40 H new ATOM 0 HB2 ASP A 87 2.244 14.362 -6.700 1.00 42.31 H new ATOM 0 HB3 ASP A 87 3.625 14.234 -7.771 1.00 42.31 H new ATOM 1366 N GLY A 88 1.870 15.493 -9.459 1.00 64.23 N ATOM 1367 CA GLY A 88 0.769 15.313 -10.379 1.00 23.02 C ATOM 1368 C GLY A 88 1.038 14.179 -11.341 1.00 23.04 C ATOM 1369 O GLY A 88 0.474 14.131 -12.433 1.00 34.21 O ATOM 0 H GLY A 88 2.718 14.985 -9.710 1.00 64.23 H new ATOM 0 HA2 GLY A 88 -0.145 15.110 -9.821 1.00 23.02 H new ATOM 0 HA3 GLY A 88 0.604 16.235 -10.937 1.00 23.02 H new ATOM 1373 N ALA A 89 1.904 13.261 -10.932 1.00 51.53 N ATOM 1374 CA ALA A 89 2.325 12.170 -11.797 1.00 20.12 C ATOM 1375 C ALA A 89 1.381 10.975 -11.700 1.00 20.43 C ATOM 1376 O ALA A 89 0.795 10.561 -12.700 1.00 11.21 O ATOM 1377 CB ALA A 89 3.749 11.754 -11.465 1.00 20.23 C ATOM 0 H ALA A 89 2.329 13.252 -10.005 1.00 51.53 H new ATOM 0 HA ALA A 89 2.291 12.530 -12.825 1.00 20.12 H new ATOM 0 HB1 ALA A 89 4.051 10.937 -12.120 1.00 20.23 H new ATOM 0 HB2 ALA A 89 4.419 12.602 -11.610 1.00 20.23 H new ATOM 0 HB3 ALA A 89 3.799 11.425 -10.427 1.00 20.23 H new ATOM 1383 N TYR A 90 1.239 10.418 -10.500 1.00 73.33 N ATOM 1384 CA TYR A 90 0.412 9.231 -10.310 1.00 50.43 C ATOM 1385 C TYR A 90 -1.029 9.598 -9.978 1.00 44.52 C ATOM 1386 O TYR A 90 -1.898 9.525 -10.847 1.00 22.43 O ATOM 1387 CB TYR A 90 0.982 8.330 -9.209 1.00 32.21 C ATOM 1388 CG TYR A 90 2.299 7.677 -9.563 1.00 64.34 C ATOM 1389 CD1 TYR A 90 2.424 6.889 -10.698 1.00 1.45 C ATOM 1390 CD2 TYR A 90 3.411 7.831 -8.747 1.00 15.04 C ATOM 1391 CE1 TYR A 90 3.621 6.276 -11.013 1.00 53.43 C ATOM 1392 CE2 TYR A 90 4.613 7.225 -9.058 1.00 73.32 C ATOM 1393 CZ TYR A 90 4.715 6.447 -10.190 1.00 23.13 C ATOM 1394 OH TYR A 90 5.910 5.833 -10.495 1.00 43.43 O ATOM 0 H TYR A 90 1.683 10.767 -9.650 1.00 73.33 H new ATOM 0 HA TYR A 90 0.420 8.685 -11.253 1.00 50.43 H new ATOM 0 HB2 TYR A 90 1.114 8.922 -8.303 1.00 32.21 H new ATOM 0 HB3 TYR A 90 0.254 7.552 -8.978 1.00 32.21 H new ATOM 0 HD1 TYR A 90 1.571 6.753 -11.346 1.00 1.45 H new ATOM 0 HD2 TYR A 90 3.335 8.434 -7.854 1.00 15.04 H new ATOM 0 HE1 TYR A 90 3.700 5.665 -11.900 1.00 53.43 H new ATOM 0 HE2 TYR A 90 5.470 7.361 -8.415 1.00 73.32 H new ATOM 0 HH TYR A 90 5.989 5.735 -11.467 1.00 43.43 H new ATOM 1404 N SER A 91 -1.259 10.015 -8.727 1.00 22.43 N ATOM 1405 CA SER A 91 -2.608 10.253 -8.202 1.00 73.44 C ATOM 1406 C SER A 91 -3.387 8.934 -8.116 1.00 25.10 C ATOM 1407 O SER A 91 -3.878 8.412 -9.121 1.00 32.32 O ATOM 1408 CB SER A 91 -3.361 11.283 -9.055 1.00 50.51 C ATOM 1409 OG SER A 91 -2.644 12.509 -9.127 1.00 32.32 O ATOM 0 H SER A 91 -0.516 10.196 -8.052 1.00 22.43 H new ATOM 0 HA SER A 91 -2.516 10.664 -7.197 1.00 73.44 H new ATOM 0 HB2 SER A 91 -3.513 10.887 -10.059 1.00 50.51 H new ATOM 0 HB3 SER A 91 -4.349 11.460 -8.629 1.00 50.51 H new ATOM 0 HG SER A 91 -2.010 12.561 -8.382 1.00 32.32 H new ATOM 1415 N VAL A 92 -3.491 8.392 -6.909 1.00 65.32 N ATOM 1416 CA VAL A 92 -4.082 7.072 -6.718 1.00 22.45 C ATOM 1417 C VAL A 92 -5.472 7.161 -6.092 1.00 43.04 C ATOM 1418 O VAL A 92 -5.945 8.244 -5.751 1.00 62.05 O ATOM 1419 CB VAL A 92 -3.182 6.166 -5.846 1.00 72.25 C ATOM 1420 CG1 VAL A 92 -1.837 5.944 -6.518 1.00 45.20 C ATOM 1421 CG2 VAL A 92 -2.989 6.759 -4.459 1.00 31.44 C ATOM 0 H VAL A 92 -3.175 8.843 -6.050 1.00 65.32 H new ATOM 0 HA VAL A 92 -4.172 6.628 -7.709 1.00 22.45 H new ATOM 0 HB VAL A 92 -3.681 5.203 -5.737 1.00 72.25 H new ATOM 0 HG11 VAL A 92 -1.217 5.304 -5.890 1.00 45.20 H new ATOM 0 HG12 VAL A 92 -1.988 5.465 -7.486 1.00 45.20 H new ATOM 0 HG13 VAL A 92 -1.339 6.903 -6.662 1.00 45.20 H new ATOM 0 HG21 VAL A 92 -2.352 6.101 -3.867 1.00 31.44 H new ATOM 0 HG22 VAL A 92 -2.519 7.739 -4.544 1.00 31.44 H new ATOM 0 HG23 VAL A 92 -3.957 6.863 -3.970 1.00 31.44 H new ATOM 1431 N ALA A 93 -6.119 6.011 -5.949 1.00 1.13 N ATOM 1432 CA ALA A 93 -7.466 5.943 -5.398 1.00 31.53 C ATOM 1433 C ALA A 93 -7.439 5.458 -3.951 1.00 12.43 C ATOM 1434 O ALA A 93 -6.420 4.945 -3.480 1.00 51.33 O ATOM 1435 CB ALA A 93 -8.333 5.025 -6.246 1.00 32.53 C ATOM 0 H ALA A 93 -5.728 5.106 -6.210 1.00 1.13 H new ATOM 0 HA ALA A 93 -7.893 6.946 -5.412 1.00 31.53 H new ATOM 0 HB1 ALA A 93 -9.337 4.982 -5.825 1.00 32.53 H new ATOM 0 HB2 ALA A 93 -8.383 5.410 -7.265 1.00 32.53 H new ATOM 0 HB3 ALA A 93 -7.901 4.024 -6.257 1.00 32.53 H new ATOM 1441 N ALA A 94 -8.568 5.596 -3.265 1.00 63.33 N ATOM 1442 CA ALA A 94 -8.669 5.249 -1.861 1.00 21.22 C ATOM 1443 C ALA A 94 -9.836 4.304 -1.625 1.00 60.42 C ATOM 1444 O ALA A 94 -10.997 4.675 -1.790 1.00 31.13 O ATOM 1445 CB ALA A 94 -8.827 6.503 -1.016 1.00 53.51 C ATOM 0 H ALA A 94 -9.434 5.951 -3.669 1.00 63.33 H new ATOM 0 HA ALA A 94 -7.750 4.742 -1.566 1.00 21.22 H new ATOM 0 HB1 ALA A 94 -8.902 6.226 0.036 1.00 53.51 H new ATOM 0 HB2 ALA A 94 -7.962 7.150 -1.160 1.00 53.51 H new ATOM 0 HB3 ALA A 94 -9.731 7.033 -1.317 1.00 53.51 H new ATOM 1451 N TYR A 95 -9.516 3.081 -1.260 1.00 4.44 N ATOM 1452 CA TYR A 95 -10.529 2.076 -0.978 1.00 52.44 C ATOM 1453 C TYR A 95 -10.985 2.185 0.473 1.00 74.22 C ATOM 1454 O TYR A 95 -10.262 2.712 1.319 1.00 23.30 O ATOM 1455 CB TYR A 95 -9.987 0.670 -1.259 1.00 54.44 C ATOM 1456 CG TYR A 95 -9.465 0.491 -2.666 1.00 51.43 C ATOM 1457 CD1 TYR A 95 -8.187 0.910 -3.005 1.00 41.53 C ATOM 1458 CD2 TYR A 95 -10.248 -0.093 -3.654 1.00 13.33 C ATOM 1459 CE1 TYR A 95 -7.701 0.756 -4.285 1.00 74.15 C ATOM 1460 CE2 TYR A 95 -9.767 -0.254 -4.941 1.00 63.11 C ATOM 1461 CZ TYR A 95 -8.493 0.175 -5.250 1.00 32.14 C ATOM 1462 OH TYR A 95 -8.004 0.022 -6.528 1.00 63.11 O ATOM 0 H TYR A 95 -8.556 2.753 -1.150 1.00 4.44 H new ATOM 0 HA TYR A 95 -11.383 2.252 -1.631 1.00 52.44 H new ATOM 0 HB2 TYR A 95 -9.186 0.451 -0.553 1.00 54.44 H new ATOM 0 HB3 TYR A 95 -10.778 -0.058 -1.079 1.00 54.44 H new ATOM 0 HD1 TYR A 95 -7.561 1.365 -2.252 1.00 41.53 H new ATOM 0 HD2 TYR A 95 -11.247 -0.426 -3.414 1.00 13.33 H new ATOM 0 HE1 TYR A 95 -6.703 1.089 -4.530 1.00 74.15 H new ATOM 0 HE2 TYR A 95 -10.385 -0.713 -5.699 1.00 63.11 H new ATOM 0 HH TYR A 95 -7.024 0.018 -6.505 1.00 63.11 H new ATOM 1472 N ASP A 96 -12.179 1.689 0.756 1.00 62.40 N ATOM 1473 CA ASP A 96 -12.737 1.780 2.100 1.00 64.13 C ATOM 1474 C ASP A 96 -12.181 0.652 2.966 1.00 54.54 C ATOM 1475 O ASP A 96 -11.664 -0.335 2.445 1.00 13.01 O ATOM 1476 CB ASP A 96 -14.263 1.711 2.046 1.00 41.01 C ATOM 1477 CG ASP A 96 -14.925 2.487 3.169 1.00 44.42 C ATOM 1478 OD1 ASP A 96 -14.492 2.364 4.331 1.00 40.10 O ATOM 1479 OD2 ASP A 96 -15.878 3.244 2.885 1.00 43.32 O ATOM 0 H ASP A 96 -12.780 1.221 0.078 1.00 62.40 H new ATOM 0 HA ASP A 96 -12.453 2.736 2.540 1.00 64.13 H new ATOM 0 HB2 ASP A 96 -14.606 2.102 1.088 1.00 41.01 H new ATOM 0 HB3 ASP A 96 -14.577 0.669 2.096 1.00 41.01 H new ATOM 1484 N THR A 97 -12.306 0.788 4.278 1.00 3.14 N ATOM 1485 CA THR A 97 -11.698 -0.145 5.221 1.00 72.33 C ATOM 1486 C THR A 97 -12.538 -0.258 6.491 1.00 42.53 C ATOM 1487 O THR A 97 -13.274 0.669 6.836 1.00 63.15 O ATOM 1488 CB THR A 97 -10.282 0.329 5.609 1.00 40.11 C ATOM 1489 OG1 THR A 97 -10.280 1.755 5.777 1.00 43.21 O ATOM 1490 CG2 THR A 97 -9.253 -0.065 4.560 1.00 31.54 C ATOM 0 H THR A 97 -12.829 1.544 4.720 1.00 3.14 H new ATOM 0 HA THR A 97 -11.643 -1.118 4.733 1.00 72.33 H new ATOM 0 HB THR A 97 -10.009 -0.156 6.546 1.00 40.11 H new ATOM 0 HG1 THR A 97 -9.418 2.040 6.147 1.00 43.21 H new ATOM 0 HG21 THR A 97 -8.268 0.286 4.867 1.00 31.54 H new ATOM 0 HG22 THR A 97 -9.236 -1.150 4.456 1.00 31.54 H new ATOM 0 HG23 THR A 97 -9.517 0.387 3.604 1.00 31.54 H new ATOM 1498 N GLN A 98 -12.439 -1.393 7.178 1.00 33.45 N ATOM 1499 CA GLN A 98 -13.108 -1.563 8.461 1.00 62.33 C ATOM 1500 C GLN A 98 -12.394 -2.599 9.319 1.00 21.53 C ATOM 1501 O GLN A 98 -11.724 -3.502 8.808 1.00 20.04 O ATOM 1502 CB GLN A 98 -14.569 -1.991 8.283 1.00 53.13 C ATOM 1503 CG GLN A 98 -14.735 -3.423 7.787 1.00 4.42 C ATOM 1504 CD GLN A 98 -16.167 -3.916 7.872 1.00 2.24 C ATOM 1505 OE1 GLN A 98 -16.586 -4.782 7.108 1.00 63.34 O ATOM 1506 NE2 GLN A 98 -16.927 -3.364 8.801 1.00 61.22 N ATOM 0 H GLN A 98 -11.904 -2.204 6.868 1.00 33.45 H new ATOM 0 HA GLN A 98 -13.079 -0.594 8.959 1.00 62.33 H new ATOM 0 HB2 GLN A 98 -15.088 -1.884 9.236 1.00 53.13 H new ATOM 0 HB3 GLN A 98 -15.053 -1.314 7.579 1.00 53.13 H new ATOM 0 HG2 GLN A 98 -14.396 -3.485 6.753 1.00 4.42 H new ATOM 0 HG3 GLN A 98 -14.094 -4.082 8.373 1.00 4.42 H new ATOM 0 HE21 GLN A 98 -16.541 -2.648 9.416 1.00 61.22 H new ATOM 0 HE22 GLN A 98 -17.899 -3.654 8.903 1.00 61.22 H new ATOM 1515 N VAL A 99 -12.549 -2.459 10.623 1.00 2.55 N ATOM 1516 CA VAL A 99 -12.055 -3.440 11.574 1.00 42.50 C ATOM 1517 C VAL A 99 -13.220 -3.925 12.426 1.00 73.04 C ATOM 1518 O VAL A 99 -13.473 -3.411 13.514 1.00 24.05 O ATOM 1519 CB VAL A 99 -10.942 -2.871 12.486 1.00 42.54 C ATOM 1520 CG1 VAL A 99 -10.397 -3.944 13.418 1.00 44.24 C ATOM 1521 CG2 VAL A 99 -9.820 -2.273 11.653 1.00 30.31 C ATOM 0 H VAL A 99 -13.020 -1.663 11.053 1.00 2.55 H new ATOM 0 HA VAL A 99 -11.616 -4.264 11.012 1.00 42.50 H new ATOM 0 HB VAL A 99 -11.380 -2.081 13.096 1.00 42.54 H new ATOM 0 HG11 VAL A 99 -9.616 -3.517 14.048 1.00 44.24 H new ATOM 0 HG12 VAL A 99 -11.203 -4.324 14.046 1.00 44.24 H new ATOM 0 HG13 VAL A 99 -9.981 -4.761 12.828 1.00 44.24 H new ATOM 0 HG21 VAL A 99 -9.047 -1.878 12.313 1.00 30.31 H new ATOM 0 HG22 VAL A 99 -9.391 -3.044 11.013 1.00 30.31 H new ATOM 0 HG23 VAL A 99 -10.216 -1.467 11.035 1.00 30.31 H new ATOM 1531 N THR A 100 -13.954 -4.889 11.898 1.00 60.13 N ATOM 1532 CA THR A 100 -15.170 -5.366 12.541 1.00 64.51 C ATOM 1533 C THR A 100 -14.893 -6.627 13.359 1.00 51.04 C ATOM 1534 O THR A 100 -15.786 -7.177 14.006 1.00 54.04 O ATOM 1535 CB THR A 100 -16.267 -5.646 11.482 1.00 54.34 C ATOM 1536 OG1 THR A 100 -17.509 -5.994 12.110 1.00 75.34 O ATOM 1537 CG2 THR A 100 -15.841 -6.763 10.535 1.00 71.15 C ATOM 0 H THR A 100 -13.729 -5.360 11.022 1.00 60.13 H new ATOM 0 HA THR A 100 -15.524 -4.588 13.217 1.00 64.51 H new ATOM 0 HB THR A 100 -16.407 -4.731 10.906 1.00 54.34 H new ATOM 0 HG1 THR A 100 -17.330 -6.482 12.941 1.00 75.34 H new ATOM 0 HG21 THR A 100 -16.629 -6.939 9.802 1.00 71.15 H new ATOM 0 HG22 THR A 100 -14.925 -6.474 10.020 1.00 71.15 H new ATOM 0 HG23 THR A 100 -15.665 -7.675 11.105 1.00 71.15 H new ATOM 1545 N ASN A 101 -13.641 -7.067 13.347 1.00 41.44 N ATOM 1546 CA ASN A 101 -13.259 -8.311 13.985 1.00 71.10 C ATOM 1547 C ASN A 101 -11.751 -8.305 14.209 1.00 11.11 C ATOM 1548 O ASN A 101 -11.112 -7.256 14.124 1.00 2.44 O ATOM 1549 CB ASN A 101 -13.676 -9.481 13.083 1.00 73.22 C ATOM 1550 CG ASN A 101 -13.941 -10.772 13.838 1.00 4.32 C ATOM 1551 OD1 ASN A 101 -13.285 -11.080 14.834 1.00 23.24 O ATOM 1552 ND2 ASN A 101 -14.916 -11.532 13.368 1.00 41.11 N ATOM 0 H ASN A 101 -12.870 -6.573 12.897 1.00 41.44 H new ATOM 0 HA ASN A 101 -13.756 -8.421 14.949 1.00 71.10 H new ATOM 0 HB2 ASN A 101 -14.575 -9.201 12.533 1.00 73.22 H new ATOM 0 HB3 ASN A 101 -12.893 -9.656 12.346 1.00 73.22 H new ATOM 0 HD21 ASN A 101 -15.148 -12.409 13.834 1.00 41.11 H new ATOM 0 HD22 ASN A 101 -15.436 -11.241 12.540 1.00 41.11 H new ATOM 1559 N GLY A 102 -11.189 -9.467 14.490 1.00 64.20 N ATOM 1560 CA GLY A 102 -9.751 -9.589 14.629 1.00 73.23 C ATOM 1561 C GLY A 102 -9.057 -9.575 13.281 1.00 12.31 C ATOM 1562 O GLY A 102 -7.833 -9.466 13.199 1.00 51.52 O ATOM 0 H GLY A 102 -11.705 -10.336 14.626 1.00 64.20 H new ATOM 0 HA2 GLY A 102 -9.373 -8.771 15.242 1.00 73.23 H new ATOM 0 HA3 GLY A 102 -9.513 -10.515 15.152 1.00 73.23 H new ATOM 1566 N ASN A 103 -9.847 -9.694 12.223 1.00 60.54 N ATOM 1567 CA ASN A 103 -9.331 -9.620 10.865 1.00 33.14 C ATOM 1568 C ASN A 103 -9.765 -8.311 10.214 1.00 42.15 C ATOM 1569 O ASN A 103 -10.799 -7.742 10.568 1.00 21.31 O ATOM 1570 CB ASN A 103 -9.802 -10.817 10.024 1.00 72.33 C ATOM 1571 CG ASN A 103 -11.312 -10.975 9.995 1.00 54.31 C ATOM 1572 OD1 ASN A 103 -11.999 -10.353 9.184 1.00 12.05 O ATOM 1573 ND2 ASN A 103 -11.837 -11.836 10.857 1.00 30.33 N ATOM 0 H ASN A 103 -10.854 -9.843 12.281 1.00 60.54 H new ATOM 0 HA ASN A 103 -8.242 -9.653 10.912 1.00 33.14 H new ATOM 0 HB2 ASN A 103 -9.436 -10.701 9.004 1.00 72.33 H new ATOM 0 HB3 ASN A 103 -9.356 -11.729 10.421 1.00 72.33 H new ATOM 0 HD21 ASN A 103 -12.843 -12.002 10.863 1.00 30.33 H new ATOM 0 HD22 ASN A 103 -11.234 -12.332 11.513 1.00 30.33 H new ATOM 1580 N VAL A 104 -8.966 -7.839 9.273 1.00 0.21 N ATOM 1581 CA VAL A 104 -9.216 -6.562 8.620 1.00 53.52 C ATOM 1582 C VAL A 104 -9.878 -6.766 7.264 1.00 65.43 C ATOM 1583 O VAL A 104 -9.484 -7.650 6.499 1.00 10.32 O ATOM 1584 CB VAL A 104 -7.904 -5.774 8.429 1.00 54.14 C ATOM 1585 CG1 VAL A 104 -8.159 -4.426 7.774 1.00 73.32 C ATOM 1586 CG2 VAL A 104 -7.195 -5.596 9.759 1.00 64.31 C ATOM 0 H VAL A 104 -8.132 -8.324 8.941 1.00 0.21 H new ATOM 0 HA VAL A 104 -9.885 -5.992 9.265 1.00 53.52 H new ATOM 0 HB VAL A 104 -7.260 -6.350 7.764 1.00 54.14 H new ATOM 0 HG11 VAL A 104 -7.214 -3.896 7.654 1.00 73.32 H new ATOM 0 HG12 VAL A 104 -8.617 -4.577 6.797 1.00 73.32 H new ATOM 0 HG13 VAL A 104 -8.828 -3.837 8.402 1.00 73.32 H new ATOM 0 HG21 VAL A 104 -6.271 -5.038 9.607 1.00 64.31 H new ATOM 0 HG22 VAL A 104 -7.841 -5.048 10.445 1.00 64.31 H new ATOM 0 HG23 VAL A 104 -6.963 -6.574 10.181 1.00 64.31 H new ATOM 1596 N GLN A 105 -10.883 -5.948 6.973 1.00 12.20 N ATOM 1597 CA GLN A 105 -11.571 -6.012 5.693 1.00 13.14 C ATOM 1598 C GLN A 105 -11.579 -4.643 5.026 1.00 5.12 C ATOM 1599 O GLN A 105 -11.609 -3.612 5.700 1.00 60.52 O ATOM 1600 CB GLN A 105 -13.011 -6.504 5.866 1.00 60.32 C ATOM 1601 CG GLN A 105 -13.119 -7.881 6.500 1.00 5.54 C ATOM 1602 CD GLN A 105 -14.523 -8.438 6.424 1.00 3.24 C ATOM 1603 OE1 GLN A 105 -14.870 -9.145 5.480 1.00 5.21 O ATOM 1604 NE2 GLN A 105 -15.344 -8.116 7.408 1.00 2.21 N ATOM 0 H GLN A 105 -11.238 -5.233 7.608 1.00 12.20 H new ATOM 0 HA GLN A 105 -11.033 -6.719 5.062 1.00 13.14 H new ATOM 0 HB2 GLN A 105 -13.558 -5.788 6.480 1.00 60.32 H new ATOM 0 HB3 GLN A 105 -13.497 -6.525 4.891 1.00 60.32 H new ATOM 0 HG2 GLN A 105 -12.432 -8.564 6.000 1.00 5.54 H new ATOM 0 HG3 GLN A 105 -12.809 -7.824 7.543 1.00 5.54 H new ATOM 0 HE21 GLN A 105 -15.016 -7.527 8.173 1.00 2.21 H new ATOM 0 HE22 GLN A 105 -16.305 -8.457 7.402 1.00 2.21 H new ATOM 1613 N ILE A 106 -11.534 -4.644 3.703 1.00 43.11 N ATOM 1614 CA ILE A 106 -11.597 -3.415 2.927 1.00 53.31 C ATOM 1615 C ILE A 106 -12.728 -3.512 1.907 1.00 23.24 C ATOM 1616 O ILE A 106 -13.159 -4.612 1.557 1.00 34.50 O ATOM 1617 CB ILE A 106 -10.260 -3.099 2.196 1.00 63.02 C ATOM 1618 CG1 ILE A 106 -10.075 -3.953 0.928 1.00 64.21 C ATOM 1619 CG2 ILE A 106 -9.082 -3.295 3.140 1.00 74.33 C ATOM 1620 CD1 ILE A 106 -9.841 -5.429 1.182 1.00 14.34 C ATOM 0 H ILE A 106 -11.453 -5.491 3.140 1.00 43.11 H new ATOM 0 HA ILE A 106 -11.784 -2.600 3.626 1.00 53.31 H new ATOM 0 HB ILE A 106 -10.301 -2.056 1.882 1.00 63.02 H new ATOM 0 HG12 ILE A 106 -10.960 -3.843 0.301 1.00 64.21 H new ATOM 0 HG13 ILE A 106 -9.232 -3.558 0.361 1.00 64.21 H new ATOM 0 HG21 ILE A 106 -8.154 -3.070 2.615 1.00 74.33 H new ATOM 0 HG22 ILE A 106 -9.186 -2.627 3.995 1.00 74.33 H new ATOM 0 HG23 ILE A 106 -9.062 -4.328 3.487 1.00 74.33 H new ATOM 0 HD11 ILE A 106 -9.722 -5.948 0.231 1.00 14.34 H new ATOM 0 HD12 ILE A 106 -8.939 -5.557 1.780 1.00 14.34 H new ATOM 0 HD13 ILE A 106 -10.694 -5.846 1.718 1.00 14.34 H new ATOM 1632 N SER A 107 -13.206 -2.372 1.440 1.00 51.33 N ATOM 1633 CA SER A 107 -14.302 -2.347 0.489 1.00 13.44 C ATOM 1634 C SER A 107 -13.770 -2.074 -0.910 1.00 42.23 C ATOM 1635 O SER A 107 -13.147 -1.038 -1.162 1.00 24.02 O ATOM 1636 CB SER A 107 -15.335 -1.290 0.889 1.00 34.14 C ATOM 1637 OG SER A 107 -16.521 -1.411 0.123 1.00 40.20 O ATOM 0 H SER A 107 -12.852 -1.452 1.704 1.00 51.33 H new ATOM 0 HA SER A 107 -14.793 -3.320 0.492 1.00 13.44 H new ATOM 0 HB2 SER A 107 -15.572 -1.393 1.948 1.00 34.14 H new ATOM 0 HB3 SER A 107 -14.912 -0.295 0.752 1.00 34.14 H new ATOM 0 HG SER A 107 -16.675 -2.354 -0.094 1.00 40.20 H new ATOM 1643 N ILE A 108 -14.005 -3.018 -1.810 1.00 4.44 N ATOM 1644 CA ILE A 108 -13.523 -2.916 -3.177 1.00 42.24 C ATOM 1645 C ILE A 108 -14.690 -2.959 -4.158 1.00 14.52 C ATOM 1646 O ILE A 108 -15.414 -3.952 -4.231 1.00 22.01 O ATOM 1647 CB ILE A 108 -12.534 -4.057 -3.508 1.00 13.22 C ATOM 1648 CG1 ILE A 108 -11.361 -4.044 -2.525 1.00 70.24 C ATOM 1649 CG2 ILE A 108 -12.025 -3.926 -4.934 1.00 50.50 C ATOM 1650 CD1 ILE A 108 -10.386 -5.187 -2.717 1.00 53.14 C ATOM 0 H ILE A 108 -14.531 -3.870 -1.614 1.00 4.44 H new ATOM 0 HA ILE A 108 -13.002 -1.963 -3.272 1.00 42.24 H new ATOM 0 HB ILE A 108 -13.060 -5.007 -3.415 1.00 13.22 H new ATOM 0 HG12 ILE A 108 -10.824 -3.101 -2.627 1.00 70.24 H new ATOM 0 HG13 ILE A 108 -11.752 -4.080 -1.508 1.00 70.24 H new ATOM 0 HG21 ILE A 108 -11.330 -4.738 -5.148 1.00 50.50 H new ATOM 0 HG22 ILE A 108 -12.865 -3.975 -5.626 1.00 50.50 H new ATOM 0 HG23 ILE A 108 -11.514 -2.971 -5.052 1.00 50.50 H new ATOM 0 HD11 ILE A 108 -9.584 -5.108 -1.983 1.00 53.14 H new ATOM 0 HD12 ILE A 108 -10.907 -6.135 -2.585 1.00 53.14 H new ATOM 0 HD13 ILE A 108 -9.965 -5.141 -3.721 1.00 53.14 H new ATOM 1662 N ALA A 109 -14.874 -1.879 -4.905 1.00 31.14 N ATOM 1663 CA ALA A 109 -15.961 -1.800 -5.873 1.00 34.14 C ATOM 1664 C ALA A 109 -15.424 -1.679 -7.293 1.00 73.43 C ATOM 1665 O ALA A 109 -16.148 -1.303 -8.216 1.00 33.22 O ATOM 1666 CB ALA A 109 -16.879 -0.634 -5.540 1.00 45.42 C ATOM 0 H ALA A 109 -14.286 -1.047 -4.860 1.00 31.14 H new ATOM 0 HA ALA A 109 -16.538 -2.723 -5.815 1.00 34.14 H new ATOM 0 HB1 ALA A 109 -17.686 -0.586 -6.271 1.00 45.42 H new ATOM 0 HB2 ALA A 109 -17.299 -0.774 -4.544 1.00 45.42 H new ATOM 0 HB3 ALA A 109 -16.311 0.296 -5.566 1.00 45.42 H new