USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 727 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 56 ASN : amide:sc= -0.161 X(o=-3.5,f=-3.2) USER MOD Set 1.2: A 59 GLN : amide:sc= -3.31 K(o=-3.5,f=-11!) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.79 K(o=-0.79,f=1.1) USER MOD Set 2.2: A 96 THR OG1 : rot -170:sc=-0.00376 USER MOD Set 3.1: A 22 THR OG1 : rot -90:sc= -0.116 USER MOD Set 3.2: A 30 LYS NZ :NH3+ -179:sc= 0.36 (180deg=-0.441) USER MOD Single : A 1 GLU N :NH3+ -140:sc= 0.0386 (180deg=-0.255) USER MOD Single : A 2 ASN : amide:sc= -1.73! C(o=-1.7!,f=-1.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0035 USER MOD Single : A 8 SER OG : rot 40:sc= 0.00422 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 36:sc= 0.0823 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.93! K(o=-2.9!,f=-1.6) USER MOD Single : A 25 ASN : amide:sc= -0.787 K(o=-0.79,f=-0.12) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0391 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.87 K(o=-2.9,f=-2.3!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 38 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 39 SER OG : rot 180:sc= -0.475 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 170:sc= -0.752 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc=-0.00683 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00998 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.44 K(o=-1.4,f=-2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -49:sc= 0.0927 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0777 X(o=-0.078,f=0.23) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.039) USER MOD Single : A 93 THR OG1 : rot 125:sc= 0.633 USER MOD Single : A 98 ASN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 145:sc= 0.0464 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.332 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.350 7.199 6.515 1.00 62.33 N ATOM 2 CA GLU A 1 2.188 5.809 6.925 1.00 65.33 C ATOM 3 C GLU A 1 3.541 5.109 7.020 1.00 60.43 C ATOM 4 O GLU A 1 4.569 5.666 6.637 1.00 55.15 O ATOM 5 CB GLU A 1 1.285 5.065 5.939 1.00 70.11 C ATOM 6 CG GLU A 1 -0.059 5.739 5.717 1.00 65.11 C ATOM 7 CD GLU A 1 -0.998 4.903 4.870 1.00 60.40 C ATOM 8 OE1 GLU A 1 -1.557 3.919 5.400 1.00 42.31 O ATOM 9 OE2 GLU A 1 -1.174 5.231 3.678 1.00 32.42 O ATOM 0 H1 GLU A 1 1.691 7.798 7.052 1.00 62.33 H new ATOM 0 H2 GLU A 1 3.327 7.504 6.701 1.00 62.33 H new ATOM 0 H3 GLU A 1 2.148 7.287 5.499 1.00 62.33 H new ATOM 0 HA GLU A 1 1.723 5.799 7.911 1.00 65.33 H new ATOM 0 HB2 GLU A 1 1.800 4.977 4.983 1.00 70.11 H new ATOM 0 HB3 GLU A 1 1.118 4.052 6.305 1.00 70.11 H new ATOM 0 HG2 GLU A 1 -0.526 5.937 6.682 1.00 65.11 H new ATOM 0 HG3 GLU A 1 0.098 6.704 5.234 1.00 65.11 H new ATOM 16 N ASN A 2 3.532 3.883 7.534 1.00 15.11 N ATOM 17 CA ASN A 2 4.757 3.106 7.681 1.00 1.41 C ATOM 18 C ASN A 2 5.725 3.793 8.640 1.00 52.42 C ATOM 19 O ASN A 2 5.393 4.811 9.249 1.00 62.10 O ATOM 20 CB ASN A 2 5.426 2.907 6.319 1.00 12.24 C ATOM 21 CG ASN A 2 6.064 1.538 6.183 1.00 14.12 C ATOM 22 OD1 ASN A 2 5.595 0.562 6.769 1.00 61.22 O ATOM 23 ND2 ASN A 2 7.139 1.461 5.408 1.00 73.05 N ATOM 0 H ASN A 2 2.689 3.406 7.856 1.00 15.11 H new ATOM 0 HA ASN A 2 4.493 2.133 8.094 1.00 1.41 H new ATOM 0 HB2 ASN A 2 4.685 3.040 5.531 1.00 12.24 H new ATOM 0 HB3 ASN A 2 6.186 3.675 6.175 1.00 12.24 H new ATOM 0 HD21 ASN A 2 7.611 0.566 5.279 1.00 73.05 H new ATOM 0 HD22 ASN A 2 7.492 2.297 4.942 1.00 73.05 H new ATOM 30 N ILE A 3 6.922 3.231 8.768 1.00 73.33 N ATOM 31 CA ILE A 3 7.938 3.790 9.651 1.00 72.15 C ATOM 32 C ILE A 3 9.238 4.049 8.897 1.00 22.13 C ATOM 33 O ILE A 3 9.632 3.267 8.031 1.00 3.45 O ATOM 34 CB ILE A 3 8.225 2.856 10.841 1.00 14.33 C ATOM 35 CG1 ILE A 3 6.933 2.555 11.604 1.00 12.32 C ATOM 36 CG2 ILE A 3 9.259 3.480 11.766 1.00 22.11 C ATOM 37 CD1 ILE A 3 7.074 1.440 12.616 1.00 64.43 C ATOM 0 H ILE A 3 7.212 2.389 8.271 1.00 73.33 H new ATOM 0 HA ILE A 3 7.545 4.734 10.028 1.00 72.15 H new ATOM 0 HB ILE A 3 8.627 1.917 10.459 1.00 14.33 H new ATOM 0 HG12 ILE A 3 6.604 3.459 12.116 1.00 12.32 H new ATOM 0 HG13 ILE A 3 6.153 2.290 10.890 1.00 12.32 H new ATOM 0 HG21 ILE A 3 9.451 2.808 12.602 1.00 22.11 H new ATOM 0 HG22 ILE A 3 10.185 3.649 11.216 1.00 22.11 H new ATOM 0 HG23 ILE A 3 8.883 4.431 12.144 1.00 22.11 H new ATOM 0 HD11 ILE A 3 6.120 1.282 13.118 1.00 64.43 H new ATOM 0 HD12 ILE A 3 7.373 0.523 12.108 1.00 64.43 H new ATOM 0 HD13 ILE A 3 7.831 1.710 13.352 1.00 64.43 H new ATOM 49 N ASP A 4 9.901 5.150 9.234 1.00 22.42 N ATOM 50 CA ASP A 4 11.160 5.511 8.592 1.00 74.10 C ATOM 51 C ASP A 4 10.969 5.698 7.090 1.00 1.41 C ATOM 52 O ASP A 4 11.198 4.777 6.306 1.00 53.02 O ATOM 53 CB ASP A 4 12.217 4.438 8.854 1.00 22.43 C ATOM 54 CG ASP A 4 12.385 4.139 10.331 1.00 2.12 C ATOM 55 OD1 ASP A 4 12.251 5.077 11.145 1.00 34.44 O ATOM 56 OD2 ASP A 4 12.650 2.968 10.673 1.00 63.22 O ATOM 0 H ASP A 4 9.588 5.808 9.948 1.00 22.42 H new ATOM 0 HA ASP A 4 11.499 6.455 9.018 1.00 74.10 H new ATOM 0 HB2 ASP A 4 11.939 3.523 8.330 1.00 22.43 H new ATOM 0 HB3 ASP A 4 13.172 4.764 8.441 1.00 22.43 H new ATOM 61 N ILE A 5 10.548 6.896 6.697 1.00 4.03 N ATOM 62 CA ILE A 5 10.327 7.204 5.290 1.00 62.42 C ATOM 63 C ILE A 5 10.988 8.523 4.905 1.00 12.11 C ATOM 64 O ILE A 5 10.329 9.560 4.823 1.00 53.22 O ATOM 65 CB ILE A 5 8.825 7.279 4.959 1.00 12.23 C ATOM 66 CG1 ILE A 5 8.097 6.051 5.510 1.00 60.14 C ATOM 67 CG2 ILE A 5 8.618 7.395 3.457 1.00 62.15 C ATOM 68 CD1 ILE A 5 8.590 4.745 4.926 1.00 15.03 C ATOM 0 H ILE A 5 10.353 7.669 7.334 1.00 4.03 H new ATOM 0 HA ILE A 5 10.777 6.394 4.716 1.00 62.42 H new ATOM 0 HB ILE A 5 8.408 8.168 5.432 1.00 12.23 H new ATOM 0 HG12 ILE A 5 8.216 6.023 6.593 1.00 60.14 H new ATOM 0 HG13 ILE A 5 7.030 6.150 5.309 1.00 60.14 H new ATOM 0 HG21 ILE A 5 7.551 7.447 3.240 1.00 62.15 H new ATOM 0 HG22 ILE A 5 9.107 8.298 3.091 1.00 62.15 H new ATOM 0 HG23 ILE A 5 9.047 6.524 2.962 1.00 62.15 H new ATOM 0 HD11 ILE A 5 8.030 3.917 5.361 1.00 15.03 H new ATOM 0 HD12 ILE A 5 8.446 4.752 3.846 1.00 15.03 H new ATOM 0 HD13 ILE A 5 9.650 4.623 5.150 1.00 15.03 H new ATOM 80 N THR A 6 12.295 8.477 4.668 1.00 2.20 N ATOM 81 CA THR A 6 13.046 9.668 4.291 1.00 51.10 C ATOM 82 C THR A 6 14.160 9.327 3.308 1.00 52.44 C ATOM 83 O THR A 6 15.130 8.657 3.661 1.00 71.13 O ATOM 84 CB THR A 6 13.659 10.360 5.524 1.00 75.45 C ATOM 85 OG1 THR A 6 13.037 9.872 6.718 1.00 0.40 O ATOM 86 CG2 THR A 6 13.489 11.869 5.437 1.00 23.11 C ATOM 0 H THR A 6 12.856 7.627 4.731 1.00 2.20 H new ATOM 0 HA THR A 6 12.340 10.349 3.815 1.00 51.10 H new ATOM 0 HB THR A 6 14.724 10.132 5.551 1.00 75.45 H new ATOM 0 HG1 THR A 6 13.433 10.315 7.497 1.00 0.40 H new ATOM 0 HG21 THR A 6 13.929 12.336 6.318 1.00 23.11 H new ATOM 0 HG22 THR A 6 13.988 12.240 4.542 1.00 23.11 H new ATOM 0 HG23 THR A 6 12.428 12.113 5.389 1.00 23.11 H new ATOM 94 N VAL A 7 14.015 9.794 2.071 1.00 12.34 N ATOM 95 CA VAL A 7 15.010 9.540 1.037 1.00 41.43 C ATOM 96 C VAL A 7 15.707 10.830 0.616 1.00 32.42 C ATOM 97 O VAL A 7 16.098 10.987 -0.540 1.00 51.22 O ATOM 98 CB VAL A 7 14.375 8.885 -0.204 1.00 23.40 C ATOM 99 CG1 VAL A 7 13.776 7.533 0.154 1.00 53.31 C ATOM 100 CG2 VAL A 7 13.323 9.800 -0.810 1.00 52.44 C ATOM 0 H VAL A 7 13.218 10.350 1.762 1.00 12.34 H new ATOM 0 HA VAL A 7 15.743 8.857 1.465 1.00 41.43 H new ATOM 0 HB VAL A 7 15.155 8.725 -0.948 1.00 23.40 H new ATOM 0 HG11 VAL A 7 13.332 7.085 -0.735 1.00 53.31 H new ATOM 0 HG12 VAL A 7 14.559 6.879 0.538 1.00 53.31 H new ATOM 0 HG13 VAL A 7 13.008 7.666 0.916 1.00 53.31 H new ATOM 0 HG21 VAL A 7 12.885 9.321 -1.686 1.00 52.44 H new ATOM 0 HG22 VAL A 7 12.543 9.994 -0.074 1.00 52.44 H new ATOM 0 HG23 VAL A 7 13.786 10.742 -1.105 1.00 52.44 H new ATOM 110 N SER A 8 15.859 11.750 1.563 1.00 21.44 N ATOM 111 CA SER A 8 16.506 13.028 1.291 1.00 61.42 C ATOM 112 C SER A 8 17.135 13.599 2.558 1.00 43.23 C ATOM 113 O SER A 8 16.814 13.178 3.668 1.00 33.42 O ATOM 114 CB SER A 8 15.496 14.022 0.716 1.00 51.41 C ATOM 115 OG SER A 8 15.654 14.157 -0.686 1.00 11.22 O ATOM 0 H SER A 8 15.543 11.634 2.526 1.00 21.44 H new ATOM 0 HA SER A 8 17.296 12.859 0.559 1.00 61.42 H new ATOM 0 HB2 SER A 8 14.483 13.687 0.940 1.00 51.41 H new ATOM 0 HB3 SER A 8 15.624 14.993 1.195 1.00 51.41 H new ATOM 0 HG SER A 8 15.834 13.278 -1.081 1.00 11.22 H new ATOM 121 N ALA A 9 18.034 14.562 2.382 1.00 43.02 N ATOM 122 CA ALA A 9 18.708 15.194 3.510 1.00 71.33 C ATOM 123 C ALA A 9 17.841 16.288 4.124 1.00 21.51 C ATOM 124 O ALA A 9 17.718 16.383 5.345 1.00 64.21 O ATOM 125 CB ALA A 9 20.049 15.764 3.072 1.00 72.33 C ATOM 0 H ALA A 9 18.312 14.922 1.469 1.00 43.02 H new ATOM 0 HA ALA A 9 18.881 14.433 4.271 1.00 71.33 H new ATOM 0 HB1 ALA A 9 20.541 16.233 3.924 1.00 72.33 H new ATOM 0 HB2 ALA A 9 20.677 14.961 2.687 1.00 72.33 H new ATOM 0 HB3 ALA A 9 19.891 16.507 2.291 1.00 72.33 H new ATOM 131 N ALA A 10 17.243 17.111 3.270 1.00 15.42 N ATOM 132 CA ALA A 10 16.386 18.198 3.730 1.00 62.23 C ATOM 133 C ALA A 10 17.142 19.134 4.666 1.00 3.12 C ATOM 134 O ALA A 10 18.320 18.922 4.957 1.00 61.45 O ATOM 135 CB ALA A 10 15.151 17.640 4.422 1.00 64.12 C ATOM 0 H ALA A 10 17.336 17.047 2.256 1.00 15.42 H new ATOM 0 HA ALA A 10 16.072 18.773 2.859 1.00 62.23 H new ATOM 0 HB1 ALA A 10 14.521 18.462 4.760 1.00 64.12 H new ATOM 0 HB2 ALA A 10 14.592 17.018 3.723 1.00 64.12 H new ATOM 0 HB3 ALA A 10 15.455 17.039 5.279 1.00 64.12 H new ATOM 141 N THR A 11 16.458 20.173 5.136 1.00 22.45 N ATOM 142 CA THR A 11 17.066 21.143 6.039 1.00 73.34 C ATOM 143 C THR A 11 16.035 21.717 7.004 1.00 72.23 C ATOM 144 O THR A 11 14.944 22.120 6.596 1.00 24.32 O ATOM 145 CB THR A 11 17.723 22.298 5.261 1.00 43.22 C ATOM 146 OG1 THR A 11 18.097 23.346 6.163 1.00 73.13 O ATOM 147 CG2 THR A 11 16.777 22.846 4.203 1.00 1.00 C ATOM 0 H THR A 11 15.483 20.364 4.906 1.00 22.45 H new ATOM 0 HA THR A 11 17.832 20.613 6.604 1.00 73.34 H new ATOM 0 HB THR A 11 18.613 21.912 4.764 1.00 43.22 H new ATOM 0 HG1 THR A 11 18.516 24.076 5.661 1.00 73.13 H new ATOM 0 HG21 THR A 11 17.264 23.661 3.667 1.00 1.00 H new ATOM 0 HG22 THR A 11 16.518 22.053 3.501 1.00 1.00 H new ATOM 0 HG23 THR A 11 15.871 23.217 4.682 1.00 1.00 H new ATOM 155 N LEU A 12 16.386 21.752 8.284 1.00 13.24 N ATOM 156 CA LEU A 12 15.490 22.278 9.309 1.00 42.52 C ATOM 157 C LEU A 12 15.795 23.745 9.597 1.00 21.14 C ATOM 158 O LEU A 12 16.893 24.086 10.036 1.00 4.24 O ATOM 159 CB LEU A 12 15.615 21.457 10.594 1.00 54.55 C ATOM 160 CG LEU A 12 17.038 21.124 11.042 1.00 71.44 C ATOM 161 CD1 LEU A 12 17.135 21.131 12.559 1.00 22.23 C ATOM 162 CD2 LEU A 12 17.470 19.775 10.484 1.00 1.30 C ATOM 0 H LEU A 12 17.284 21.423 8.638 1.00 13.24 H new ATOM 0 HA LEU A 12 14.468 22.204 8.937 1.00 42.52 H new ATOM 0 HB2 LEU A 12 15.120 22.001 11.399 1.00 54.55 H new ATOM 0 HB3 LEU A 12 15.070 20.523 10.459 1.00 54.55 H new ATOM 0 HG LEU A 12 17.710 21.889 10.652 1.00 71.44 H new ATOM 0 HD11 LEU A 12 18.155 20.892 12.859 1.00 22.23 H new ATOM 0 HD12 LEU A 12 16.868 22.118 12.936 1.00 22.23 H new ATOM 0 HD13 LEU A 12 16.452 20.388 12.971 1.00 22.23 H new ATOM 0 HD21 LEU A 12 18.485 19.554 10.813 1.00 1.30 H new ATOM 0 HD22 LEU A 12 16.795 18.999 10.844 1.00 1.30 H new ATOM 0 HD23 LEU A 12 17.440 19.805 9.395 1.00 1.30 H new ATOM 174 N SER A 13 14.815 24.608 9.350 1.00 72.32 N ATOM 175 CA SER A 13 14.979 26.038 9.582 1.00 53.05 C ATOM 176 C SER A 13 14.090 26.508 10.730 1.00 63.44 C ATOM 177 O SER A 13 14.535 27.238 11.614 1.00 3.55 O ATOM 178 CB SER A 13 14.647 26.823 8.311 1.00 2.21 C ATOM 179 OG SER A 13 13.992 28.041 8.621 1.00 44.24 O ATOM 0 H SER A 13 13.899 24.342 8.989 1.00 72.32 H new ATOM 0 HA SER A 13 16.019 26.220 9.853 1.00 53.05 H new ATOM 0 HB2 SER A 13 15.563 27.030 7.758 1.00 2.21 H new ATOM 0 HB3 SER A 13 14.012 26.220 7.662 1.00 2.21 H new ATOM 0 HG SER A 13 13.792 28.525 7.793 1.00 44.24 H new ATOM 185 N SER A 14 12.831 26.082 10.708 1.00 63.05 N ATOM 186 CA SER A 14 11.878 26.461 11.744 1.00 51.23 C ATOM 187 C SER A 14 10.789 25.403 11.894 1.00 41.14 C ATOM 188 O SER A 14 10.667 24.501 11.064 1.00 13.13 O ATOM 189 CB SER A 14 11.247 27.816 11.415 1.00 60.42 C ATOM 190 OG SER A 14 11.920 28.868 12.084 1.00 64.22 O ATOM 0 H SER A 14 12.448 25.474 9.984 1.00 63.05 H new ATOM 0 HA SER A 14 12.417 26.539 12.688 1.00 51.23 H new ATOM 0 HB2 SER A 14 11.281 27.985 10.339 1.00 60.42 H new ATOM 0 HB3 SER A 14 10.196 27.811 11.704 1.00 60.42 H new ATOM 0 HG SER A 14 12.878 28.668 12.127 1.00 64.22 H new ATOM 196 N ILE A 15 10.001 25.521 12.957 1.00 70.12 N ATOM 197 CA ILE A 15 8.922 24.576 13.215 1.00 33.05 C ATOM 198 C ILE A 15 7.716 25.274 13.836 1.00 45.41 C ATOM 199 O ILE A 15 7.865 26.212 14.620 1.00 71.31 O ATOM 200 CB ILE A 15 9.380 23.440 14.149 1.00 14.24 C ATOM 201 CG1 ILE A 15 10.561 22.689 13.533 1.00 24.20 C ATOM 202 CG2 ILE A 15 8.227 22.487 14.429 1.00 0.54 C ATOM 203 CD1 ILE A 15 10.200 21.915 12.285 1.00 63.43 C ATOM 0 H ILE A 15 10.089 26.261 13.653 1.00 70.12 H new ATOM 0 HA ILE A 15 8.637 24.152 12.252 1.00 33.05 H new ATOM 0 HB ILE A 15 9.704 23.875 15.094 1.00 14.24 H new ATOM 0 HG12 ILE A 15 11.349 23.402 13.293 1.00 24.20 H new ATOM 0 HG13 ILE A 15 10.969 22.000 14.273 1.00 24.20 H new ATOM 0 HG21 ILE A 15 8.566 21.690 15.090 1.00 0.54 H new ATOM 0 HG22 ILE A 15 7.412 23.032 14.906 1.00 0.54 H new ATOM 0 HG23 ILE A 15 7.875 22.056 13.492 1.00 0.54 H new ATOM 0 HD11 ILE A 15 11.086 21.407 11.903 1.00 63.43 H new ATOM 0 HD12 ILE A 15 9.434 21.177 12.523 1.00 63.43 H new ATOM 0 HD13 ILE A 15 9.820 22.601 11.528 1.00 63.43 H new ATOM 215 N SER A 16 6.523 24.810 13.481 1.00 53.12 N ATOM 216 CA SER A 16 5.291 25.391 14.001 1.00 13.31 C ATOM 217 C SER A 16 4.487 24.354 14.779 1.00 74.34 C ATOM 218 O SER A 16 4.378 23.199 14.364 1.00 14.33 O ATOM 219 CB SER A 16 4.446 25.956 12.858 1.00 74.14 C ATOM 220 OG SER A 16 4.502 27.372 12.833 1.00 71.43 O ATOM 0 H SER A 16 6.383 24.033 12.835 1.00 53.12 H new ATOM 0 HA SER A 16 5.559 26.201 14.680 1.00 13.31 H new ATOM 0 HB2 SER A 16 4.802 25.558 11.908 1.00 74.14 H new ATOM 0 HB3 SER A 16 3.412 25.632 12.972 1.00 74.14 H new ATOM 0 HG SER A 16 3.955 27.708 12.092 1.00 71.43 H new ATOM 226 N ILE A 17 3.926 24.774 15.908 1.00 72.34 N ATOM 227 CA ILE A 17 3.131 23.882 16.743 1.00 51.11 C ATOM 228 C ILE A 17 1.762 24.483 17.041 1.00 54.32 C ATOM 229 O ILE A 17 1.630 25.693 17.226 1.00 43.22 O ATOM 230 CB ILE A 17 3.843 23.572 18.073 1.00 44.52 C ATOM 231 CG1 ILE A 17 3.159 22.402 18.783 1.00 43.44 C ATOM 232 CG2 ILE A 17 3.858 24.805 18.965 1.00 65.30 C ATOM 233 CD1 ILE A 17 3.760 22.080 20.133 1.00 10.30 C ATOM 0 H ILE A 17 4.007 25.726 16.265 1.00 72.34 H new ATOM 0 HA ILE A 17 3.005 22.955 16.183 1.00 51.11 H new ATOM 0 HB ILE A 17 4.874 23.289 17.859 1.00 44.52 H new ATOM 0 HG12 ILE A 17 2.102 22.633 18.911 1.00 43.44 H new ATOM 0 HG13 ILE A 17 3.217 21.518 18.148 1.00 43.44 H new ATOM 0 HG21 ILE A 17 4.364 24.571 19.901 1.00 65.30 H new ATOM 0 HG22 ILE A 17 4.386 25.613 18.459 1.00 65.30 H new ATOM 0 HG23 ILE A 17 2.834 25.115 19.174 1.00 65.30 H new ATOM 0 HD11 ILE A 17 3.226 21.241 20.578 1.00 10.30 H new ATOM 0 HD12 ILE A 17 4.811 21.817 20.010 1.00 10.30 H new ATOM 0 HD13 ILE A 17 3.677 22.950 20.785 1.00 10.30 H new ATOM 245 N SER A 18 0.744 23.630 17.087 1.00 31.52 N ATOM 246 CA SER A 18 -0.617 24.076 17.361 1.00 41.40 C ATOM 247 C SER A 18 -1.250 23.241 18.470 1.00 52.34 C ATOM 248 O SER A 18 -2.103 22.387 18.228 1.00 15.23 O ATOM 249 CB SER A 18 -1.469 23.992 16.093 1.00 22.41 C ATOM 250 OG SER A 18 -0.739 24.424 14.958 1.00 25.51 O ATOM 0 H SER A 18 0.836 22.625 16.938 1.00 31.52 H new ATOM 0 HA SER A 18 -0.573 25.114 17.692 1.00 41.40 H new ATOM 0 HB2 SER A 18 -1.805 22.966 15.944 1.00 22.41 H new ATOM 0 HB3 SER A 18 -2.362 24.606 16.210 1.00 22.41 H new ATOM 0 HG SER A 18 -1.305 24.359 14.161 1.00 25.51 H new ATOM 256 N PRO A 19 -0.823 23.493 19.716 1.00 32.30 N ATOM 257 CA PRO A 19 -1.335 22.776 20.888 1.00 62.22 C ATOM 258 C PRO A 19 -2.781 23.140 21.205 1.00 51.42 C ATOM 259 O PRO A 19 -3.322 24.104 20.660 1.00 24.43 O ATOM 260 CB PRO A 19 -0.408 23.234 22.017 1.00 51.24 C ATOM 261 CG PRO A 19 0.095 24.565 21.576 1.00 2.54 C ATOM 262 CD PRO A 19 0.192 24.497 20.077 1.00 35.24 C ATOM 0 HA PRO A 19 -1.341 21.697 20.735 1.00 62.22 H new ATOM 0 HB2 PRO A 19 -0.943 23.307 22.964 1.00 51.24 H new ATOM 0 HB3 PRO A 19 0.411 22.531 22.167 1.00 51.24 H new ATOM 0 HG2 PRO A 19 -0.582 25.360 21.887 1.00 2.54 H new ATOM 0 HG3 PRO A 19 1.067 24.781 22.020 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -0.016 25.463 19.616 1.00 35.24 H new ATOM 0 HD3 PRO A 19 1.188 24.197 19.752 1.00 35.24 H new ATOM 270 N ILE A 20 -3.402 22.366 22.088 1.00 62.42 N ATOM 271 CA ILE A 20 -4.785 22.609 22.478 1.00 70.13 C ATOM 272 C ILE A 20 -4.961 22.481 23.987 1.00 54.50 C ATOM 273 O ILE A 20 -4.482 21.529 24.600 1.00 60.53 O ATOM 274 CB ILE A 20 -5.748 21.633 21.775 1.00 2.35 C ATOM 275 CG1 ILE A 20 -5.613 21.755 20.256 1.00 34.22 C ATOM 276 CG2 ILE A 20 -7.182 21.900 22.209 1.00 44.12 C ATOM 277 CD1 ILE A 20 -5.037 20.520 19.600 1.00 73.32 C ATOM 0 H ILE A 20 -2.969 21.565 22.547 1.00 62.42 H new ATOM 0 HA ILE A 20 -5.025 23.627 22.172 1.00 70.13 H new ATOM 0 HB ILE A 20 -5.486 20.615 22.063 1.00 2.35 H new ATOM 0 HG12 ILE A 20 -6.594 21.960 19.827 1.00 34.22 H new ATOM 0 HG13 ILE A 20 -4.978 22.610 20.023 1.00 34.22 H new ATOM 0 HG21 ILE A 20 -7.851 21.203 21.704 1.00 44.12 H new ATOM 0 HG22 ILE A 20 -7.266 21.767 23.288 1.00 44.12 H new ATOM 0 HG23 ILE A 20 -7.457 22.921 21.947 1.00 44.12 H new ATOM 0 HD11 ILE A 20 -4.970 20.678 18.524 1.00 73.32 H new ATOM 0 HD12 ILE A 20 -4.042 20.325 20.001 1.00 73.32 H new ATOM 0 HD13 ILE A 20 -5.683 19.666 19.802 1.00 73.32 H new ATOM 289 N ASN A 21 -5.654 23.448 24.580 1.00 14.20 N ATOM 290 CA ASN A 21 -5.896 23.444 26.018 1.00 22.33 C ATOM 291 C ASN A 21 -7.110 22.586 26.364 1.00 45.25 C ATOM 292 O ASN A 21 -8.249 23.049 26.303 1.00 10.53 O ATOM 293 CB ASN A 21 -6.105 24.872 26.526 1.00 72.22 C ATOM 294 CG ASN A 21 -5.272 25.884 25.764 1.00 52.23 C ATOM 295 OD1 ASN A 21 -5.777 26.921 25.333 1.00 4.52 O ATOM 296 ND2 ASN A 21 -3.989 25.586 25.593 1.00 14.43 N ATOM 0 H ASN A 21 -6.058 24.244 24.087 1.00 14.20 H new ATOM 0 HA ASN A 21 -5.020 23.017 26.507 1.00 22.33 H new ATOM 0 HB2 ASN A 21 -7.159 25.135 26.440 1.00 72.22 H new ATOM 0 HB3 ASN A 21 -5.850 24.919 27.585 1.00 72.22 H new ATOM 0 HD21 ASN A 21 -3.379 26.228 25.087 1.00 14.43 H new ATOM 0 HD22 ASN A 21 -3.613 24.715 25.968 1.00 14.43 H new ATOM 303 N THR A 22 -6.858 21.332 26.726 1.00 4.24 N ATOM 304 CA THR A 22 -7.928 20.409 27.081 1.00 54.41 C ATOM 305 C THR A 22 -7.633 19.704 28.400 1.00 44.43 C ATOM 306 O THR A 22 -6.482 19.629 28.830 1.00 55.33 O ATOM 307 CB THR A 22 -8.144 19.351 25.983 1.00 20.40 C ATOM 308 OG1 THR A 22 -7.756 19.879 24.710 1.00 70.00 O ATOM 309 CG2 THR A 22 -9.600 18.911 25.933 1.00 4.32 C ATOM 0 H THR A 22 -5.921 20.932 26.781 1.00 4.24 H new ATOM 0 HA THR A 22 -8.836 21.004 27.186 1.00 54.41 H new ATOM 0 HB THR A 22 -7.527 18.484 26.219 1.00 20.40 H new ATOM 0 HG1 THR A 22 -8.527 20.311 24.286 1.00 70.00 H new ATOM 0 HG21 THR A 22 -9.728 18.164 25.150 1.00 4.32 H new ATOM 0 HG22 THR A 22 -9.884 18.482 26.894 1.00 4.32 H new ATOM 0 HG23 THR A 22 -10.233 19.772 25.719 1.00 4.32 H new ATOM 317 N ASN A 23 -8.679 19.188 29.037 1.00 5.42 N ATOM 318 CA ASN A 23 -8.530 18.489 30.308 1.00 20.21 C ATOM 319 C ASN A 23 -8.892 17.014 30.163 1.00 61.23 C ATOM 320 O ASN A 23 -9.863 16.666 29.490 1.00 11.13 O ATOM 321 CB ASN A 23 -9.410 19.138 31.378 1.00 53.43 C ATOM 322 CG ASN A 23 -9.404 20.652 31.290 1.00 15.30 C ATOM 323 OD1 ASN A 23 -10.451 21.294 31.376 1.00 14.21 O ATOM 324 ND2 ASN A 23 -8.221 21.230 31.118 1.00 53.23 N ATOM 0 H ASN A 23 -9.638 19.241 28.694 1.00 5.42 H new ATOM 0 HA ASN A 23 -7.486 18.561 30.613 1.00 20.21 H new ATOM 0 HB2 ASN A 23 -10.432 18.775 31.273 1.00 53.43 H new ATOM 0 HB3 ASN A 23 -9.062 18.833 32.365 1.00 53.43 H new ATOM 0 HD21 ASN A 23 -8.154 22.246 31.052 1.00 53.23 H new ATOM 0 HD22 ASN A 23 -7.379 20.658 31.052 1.00 53.23 H new ATOM 331 N ILE A 24 -8.105 16.152 30.798 1.00 61.25 N ATOM 332 CA ILE A 24 -8.343 14.715 30.740 1.00 15.02 C ATOM 333 C ILE A 24 -8.713 14.164 32.113 1.00 24.23 C ATOM 334 O ILE A 24 -8.206 14.625 33.135 1.00 20.00 O ATOM 335 CB ILE A 24 -7.110 13.960 30.211 1.00 3.12 C ATOM 336 CG1 ILE A 24 -6.759 14.437 28.800 1.00 31.03 C ATOM 337 CG2 ILE A 24 -7.362 12.460 30.222 1.00 60.22 C ATOM 338 CD1 ILE A 24 -7.877 14.239 27.800 1.00 23.34 C ATOM 0 H ILE A 24 -7.297 16.424 31.358 1.00 61.25 H new ATOM 0 HA ILE A 24 -9.175 14.560 30.053 1.00 15.02 H new ATOM 0 HB ILE A 24 -6.265 14.171 30.866 1.00 3.12 H new ATOM 0 HG12 ILE A 24 -6.499 15.495 28.837 1.00 31.03 H new ATOM 0 HG13 ILE A 24 -5.874 13.903 28.454 1.00 31.03 H new ATOM 0 HG21 ILE A 24 -6.481 11.940 29.845 1.00 60.22 H new ATOM 0 HG22 ILE A 24 -7.568 12.133 31.241 1.00 60.22 H new ATOM 0 HG23 ILE A 24 -8.218 12.230 29.587 1.00 60.22 H new ATOM 0 HD11 ILE A 24 -7.558 14.599 26.822 1.00 23.34 H new ATOM 0 HD12 ILE A 24 -8.123 13.179 27.734 1.00 23.34 H new ATOM 0 HD13 ILE A 24 -8.757 14.796 28.123 1.00 23.34 H new ATOM 350 N ASN A 25 -9.598 13.173 32.128 1.00 21.45 N ATOM 351 CA ASN A 25 -10.034 12.557 33.376 1.00 34.23 C ATOM 352 C ASN A 25 -10.181 11.047 33.216 1.00 63.43 C ATOM 353 O ASN A 25 -10.586 10.559 32.160 1.00 43.13 O ATOM 354 CB ASN A 25 -11.363 13.164 33.831 1.00 32.43 C ATOM 355 CG ASN A 25 -11.433 13.342 35.336 1.00 64.53 C ATOM 356 OD1 ASN A 25 -12.387 12.906 35.980 1.00 11.30 O ATOM 357 ND2 ASN A 25 -10.418 13.984 35.903 1.00 53.33 N ATOM 0 H ASN A 25 -10.027 12.779 31.291 1.00 21.45 H new ATOM 0 HA ASN A 25 -9.274 12.752 34.133 1.00 34.23 H new ATOM 0 HB2 ASN A 25 -11.502 14.131 33.347 1.00 32.43 H new ATOM 0 HB3 ASN A 25 -12.182 12.523 33.505 1.00 32.43 H new ATOM 0 HD21 ASN A 25 -10.408 14.133 36.912 1.00 53.33 H new ATOM 0 HD22 ASN A 25 -9.648 14.328 35.329 1.00 53.33 H new ATOM 364 N THR A 26 -9.849 10.310 34.271 1.00 23.33 N ATOM 365 CA THR A 26 -9.942 8.855 34.248 1.00 12.51 C ATOM 366 C THR A 26 -8.851 8.248 33.374 1.00 2.21 C ATOM 367 O THR A 26 -7.915 7.623 33.875 1.00 52.22 O ATOM 368 CB THR A 26 -11.316 8.389 33.732 1.00 54.14 C ATOM 369 OG1 THR A 26 -12.349 9.231 34.257 1.00 23.22 O ATOM 370 CG2 THR A 26 -11.582 6.945 34.128 1.00 22.33 C ATOM 0 H THR A 26 -9.513 10.697 35.153 1.00 23.33 H new ATOM 0 HA THR A 26 -9.812 8.513 35.275 1.00 12.51 H new ATOM 0 HB THR A 26 -11.312 8.456 32.644 1.00 54.14 H new ATOM 0 HG1 THR A 26 -13.219 8.929 33.922 1.00 23.22 H new ATOM 0 HG21 THR A 26 -12.558 6.639 33.752 1.00 22.33 H new ATOM 0 HG22 THR A 26 -10.811 6.303 33.702 1.00 22.33 H new ATOM 0 HG23 THR A 26 -11.567 6.857 35.214 1.00 22.33 H new ATOM 378 N THR A 27 -8.975 8.436 32.064 1.00 51.02 N ATOM 379 CA THR A 27 -7.999 7.906 31.120 1.00 54.32 C ATOM 380 C THR A 27 -8.376 8.257 29.685 1.00 41.11 C ATOM 381 O THR A 27 -9.208 7.590 29.070 1.00 14.31 O ATOM 382 CB THR A 27 -7.870 6.377 31.245 1.00 23.50 C ATOM 383 OG1 THR A 27 -8.970 5.851 31.996 1.00 3.44 O ATOM 384 CG2 THR A 27 -6.561 5.998 31.921 1.00 25.01 C ATOM 0 H THR A 27 -9.742 8.952 31.633 1.00 51.02 H new ATOM 0 HA THR A 27 -7.041 8.365 31.364 1.00 54.32 H new ATOM 0 HB THR A 27 -7.880 5.951 30.242 1.00 23.50 H new ATOM 0 HG1 THR A 27 -8.881 4.878 32.069 1.00 3.44 H new ATOM 0 HG21 THR A 27 -6.492 4.913 31.998 1.00 25.01 H new ATOM 0 HG22 THR A 27 -5.725 6.374 31.331 1.00 25.01 H new ATOM 0 HG23 THR A 27 -6.527 6.436 32.919 1.00 25.01 H new ATOM 392 N VAL A 28 -7.757 9.308 29.156 1.00 73.14 N ATOM 393 CA VAL A 28 -8.026 9.746 27.791 1.00 15.44 C ATOM 394 C VAL A 28 -6.763 10.281 27.127 1.00 51.52 C ATOM 395 O VAL A 28 -5.831 10.718 27.802 1.00 20.42 O ATOM 396 CB VAL A 28 -9.113 10.837 27.757 1.00 51.53 C ATOM 397 CG1 VAL A 28 -9.604 11.058 26.334 1.00 65.32 C ATOM 398 CG2 VAL A 28 -10.267 10.469 28.676 1.00 34.42 C ATOM 0 H VAL A 28 -7.066 9.872 29.652 1.00 73.14 H new ATOM 0 HA VAL A 28 -8.380 8.874 27.242 1.00 15.44 H new ATOM 0 HB VAL A 28 -8.677 11.770 28.115 1.00 51.53 H new ATOM 0 HG11 VAL A 28 -10.371 11.832 26.330 1.00 65.32 H new ATOM 0 HG12 VAL A 28 -8.770 11.371 25.706 1.00 65.32 H new ATOM 0 HG13 VAL A 28 -10.023 10.130 25.945 1.00 65.32 H new ATOM 0 HG21 VAL A 28 -11.025 11.251 28.639 1.00 34.42 H new ATOM 0 HG22 VAL A 28 -10.704 9.525 28.351 1.00 34.42 H new ATOM 0 HG23 VAL A 28 -9.900 10.367 29.697 1.00 34.42 H new ATOM 408 N SER A 29 -6.739 10.245 25.798 1.00 12.43 N ATOM 409 CA SER A 29 -5.588 10.724 25.041 1.00 34.22 C ATOM 410 C SER A 29 -5.887 12.072 24.393 1.00 52.13 C ATOM 411 O SER A 29 -6.958 12.276 23.820 1.00 61.41 O ATOM 412 CB SER A 29 -5.197 9.705 23.969 1.00 73.10 C ATOM 413 OG SER A 29 -5.663 8.409 24.303 1.00 20.10 O ATOM 0 H SER A 29 -7.503 9.889 25.224 1.00 12.43 H new ATOM 0 HA SER A 29 -4.755 10.850 25.733 1.00 34.22 H new ATOM 0 HB2 SER A 29 -5.611 10.007 23.007 1.00 73.10 H new ATOM 0 HB3 SER A 29 -4.113 9.688 23.858 1.00 73.10 H new ATOM 0 HG SER A 29 -5.402 7.777 23.601 1.00 20.10 H new ATOM 419 N LYS A 30 -4.932 12.991 24.487 1.00 14.32 N ATOM 420 CA LYS A 30 -5.090 14.321 23.910 1.00 60.12 C ATOM 421 C LYS A 30 -4.402 14.409 22.551 1.00 11.12 C ATOM 422 O LYS A 30 -3.184 14.268 22.453 1.00 64.42 O ATOM 423 CB LYS A 30 -4.516 15.380 24.853 1.00 14.44 C ATOM 424 CG LYS A 30 -5.571 16.293 25.456 1.00 25.11 C ATOM 425 CD LYS A 30 -6.239 17.150 24.394 1.00 33.23 C ATOM 426 CE LYS A 30 -7.692 16.748 24.188 1.00 42.34 C ATOM 427 NZ LYS A 30 -8.356 17.584 23.150 1.00 40.53 N ATOM 0 H LYS A 30 -4.040 12.839 24.958 1.00 14.32 H new ATOM 0 HA LYS A 30 -6.155 14.506 23.772 1.00 60.12 H new ATOM 0 HB2 LYS A 30 -3.975 14.883 25.658 1.00 14.44 H new ATOM 0 HB3 LYS A 30 -3.792 15.986 24.308 1.00 14.44 H new ATOM 0 HG2 LYS A 30 -6.324 15.693 25.967 1.00 25.11 H new ATOM 0 HG3 LYS A 30 -5.111 16.935 26.207 1.00 25.11 H new ATOM 0 HD2 LYS A 30 -6.188 18.199 24.686 1.00 33.23 H new ATOM 0 HD3 LYS A 30 -5.697 17.054 23.453 1.00 33.23 H new ATOM 0 HE2 LYS A 30 -7.741 15.699 23.896 1.00 42.34 H new ATOM 0 HE3 LYS A 30 -8.232 16.842 25.130 1.00 42.34 H new ATOM 0 HZ1 LYS A 30 -9.349 17.291 23.051 1.00 40.53 H new ATOM 0 HZ2 LYS A 30 -8.317 18.584 23.433 1.00 40.53 H new ATOM 0 HZ3 LYS A 30 -7.867 17.462 22.241 1.00 40.53 H new ATOM 441 N GLN A 31 -5.191 14.645 21.508 1.00 61.12 N ATOM 442 CA GLN A 31 -4.656 14.753 20.156 1.00 73.45 C ATOM 443 C GLN A 31 -4.167 16.170 19.875 1.00 73.33 C ATOM 444 O GLN A 31 -4.952 17.118 19.866 1.00 54.02 O ATOM 445 CB GLN A 31 -5.720 14.355 19.131 1.00 70.03 C ATOM 446 CG GLN A 31 -5.261 14.503 17.689 1.00 53.20 C ATOM 447 CD GLN A 31 -4.282 13.423 17.274 1.00 1.02 C ATOM 448 OE1 GLN A 31 -4.621 12.523 16.506 1.00 74.15 O ATOM 449 NE2 GLN A 31 -3.058 13.507 17.782 1.00 62.21 N ATOM 0 H GLN A 31 -6.202 14.765 21.573 1.00 61.12 H new ATOM 0 HA GLN A 31 -3.808 14.073 20.072 1.00 73.45 H new ATOM 0 HB2 GLN A 31 -6.012 13.320 19.306 1.00 70.03 H new ATOM 0 HB3 GLN A 31 -6.608 14.967 19.285 1.00 70.03 H new ATOM 0 HG2 GLN A 31 -6.129 14.473 17.031 1.00 53.20 H new ATOM 0 HG3 GLN A 31 -4.795 15.480 17.559 1.00 53.20 H new ATOM 0 HE21 GLN A 31 -2.820 14.270 18.415 1.00 62.21 H new ATOM 0 HE22 GLN A 31 -2.356 12.808 17.539 1.00 62.21 H new ATOM 458 N PHE A 32 -2.865 16.307 19.646 1.00 34.41 N ATOM 459 CA PHE A 32 -2.271 17.609 19.366 1.00 31.43 C ATOM 460 C PHE A 32 -1.847 17.710 17.904 1.00 25.32 C ATOM 461 O PHE A 32 -1.882 16.725 17.166 1.00 23.23 O ATOM 462 CB PHE A 32 -1.065 17.849 20.277 1.00 33.21 C ATOM 463 CG PHE A 32 -1.422 17.938 21.733 1.00 33.34 C ATOM 464 CD1 PHE A 32 -2.401 18.817 22.168 1.00 50.11 C ATOM 465 CD2 PHE A 32 -0.780 17.142 22.668 1.00 63.54 C ATOM 466 CE1 PHE A 32 -2.731 18.901 23.507 1.00 3.34 C ATOM 467 CE2 PHE A 32 -1.106 17.221 24.009 1.00 45.04 C ATOM 468 CZ PHE A 32 -2.083 18.101 24.429 1.00 52.53 C ATOM 0 H PHE A 32 -2.201 15.532 19.649 1.00 34.41 H new ATOM 0 HA PHE A 32 -3.023 18.374 19.561 1.00 31.43 H new ATOM 0 HB2 PHE A 32 -0.347 17.041 20.136 1.00 33.21 H new ATOM 0 HB3 PHE A 32 -0.570 18.772 19.975 1.00 33.21 H new ATOM 0 HD1 PHE A 32 -2.912 19.444 21.452 1.00 50.11 H new ATOM 0 HD2 PHE A 32 -0.015 16.451 22.345 1.00 63.54 H new ATOM 0 HE1 PHE A 32 -3.495 19.591 23.833 1.00 3.34 H new ATOM 0 HE2 PHE A 32 -0.597 16.595 24.727 1.00 45.04 H new ATOM 0 HZ PHE A 32 -2.340 18.164 25.476 1.00 52.53 H new ATOM 478 N PHE A 33 -1.446 18.908 17.492 1.00 22.13 N ATOM 479 CA PHE A 33 -1.016 19.140 16.118 1.00 24.53 C ATOM 480 C PHE A 33 0.447 19.572 16.072 1.00 51.22 C ATOM 481 O PHE A 33 0.898 20.363 16.900 1.00 52.23 O ATOM 482 CB PHE A 33 -1.895 20.204 15.459 1.00 72.34 C ATOM 483 CG PHE A 33 -2.833 19.649 14.425 1.00 40.45 C ATOM 484 CD1 PHE A 33 -2.353 19.200 13.205 1.00 72.11 C ATOM 485 CD2 PHE A 33 -4.194 19.578 14.672 1.00 55.50 C ATOM 486 CE1 PHE A 33 -3.213 18.689 12.251 1.00 35.13 C ATOM 487 CE2 PHE A 33 -5.059 19.068 13.722 1.00 14.24 C ATOM 488 CZ PHE A 33 -4.568 18.624 12.510 1.00 35.01 C ATOM 0 H PHE A 33 -1.410 19.733 18.090 1.00 22.13 H new ATOM 0 HA PHE A 33 -1.118 18.204 15.569 1.00 24.53 H new ATOM 0 HB2 PHE A 33 -2.475 20.713 16.229 1.00 72.34 H new ATOM 0 HB3 PHE A 33 -1.256 20.954 14.993 1.00 72.34 H new ATOM 0 HD1 PHE A 33 -1.294 19.250 12.997 1.00 72.11 H new ATOM 0 HD2 PHE A 33 -4.584 19.925 15.618 1.00 55.50 H new ATOM 0 HE1 PHE A 33 -2.826 18.341 11.305 1.00 35.13 H new ATOM 0 HE2 PHE A 33 -6.118 19.017 13.927 1.00 14.24 H new ATOM 0 HZ PHE A 33 -5.242 18.227 11.766 1.00 35.01 H new ATOM 498 N ALA A 34 1.183 19.047 15.098 1.00 75.33 N ATOM 499 CA ALA A 34 2.593 19.379 14.942 1.00 62.14 C ATOM 500 C ALA A 34 2.969 19.501 13.469 1.00 73.13 C ATOM 501 O ALA A 34 2.750 18.578 12.683 1.00 4.34 O ATOM 502 CB ALA A 34 3.461 18.332 15.624 1.00 34.24 C ATOM 0 H ALA A 34 0.825 18.390 14.405 1.00 75.33 H new ATOM 0 HA ALA A 34 2.767 20.345 15.416 1.00 62.14 H new ATOM 0 HB1 ALA A 34 4.512 18.593 15.499 1.00 34.24 H new ATOM 0 HB2 ALA A 34 3.220 18.295 16.686 1.00 34.24 H new ATOM 0 HB3 ALA A 34 3.274 17.356 15.176 1.00 34.24 H new ATOM 508 N VAL A 35 3.534 20.646 13.100 1.00 50.13 N ATOM 509 CA VAL A 35 3.940 20.889 11.721 1.00 62.44 C ATOM 510 C VAL A 35 5.386 21.368 11.650 1.00 53.12 C ATOM 511 O VAL A 35 5.826 22.169 12.473 1.00 22.02 O ATOM 512 CB VAL A 35 3.031 21.931 11.043 1.00 43.11 C ATOM 513 CG1 VAL A 35 1.599 21.425 10.972 1.00 74.01 C ATOM 514 CG2 VAL A 35 3.100 23.259 11.782 1.00 24.34 C ATOM 0 H VAL A 35 3.721 21.420 13.737 1.00 50.13 H new ATOM 0 HA VAL A 35 3.848 19.940 11.192 1.00 62.44 H new ATOM 0 HB VAL A 35 3.386 22.089 10.025 1.00 43.11 H new ATOM 0 HG11 VAL A 35 0.972 22.175 10.490 1.00 74.01 H new ATOM 0 HG12 VAL A 35 1.568 20.501 10.395 1.00 74.01 H new ATOM 0 HG13 VAL A 35 1.229 21.236 11.980 1.00 74.01 H new ATOM 0 HG21 VAL A 35 2.452 23.984 11.289 1.00 24.34 H new ATOM 0 HG22 VAL A 35 2.772 23.120 12.812 1.00 24.34 H new ATOM 0 HG23 VAL A 35 4.126 23.626 11.775 1.00 24.34 H new ATOM 524 N GLY A 36 6.120 20.872 10.658 1.00 2.34 N ATOM 525 CA GLY A 36 7.509 21.262 10.498 1.00 71.34 C ATOM 526 C GLY A 36 7.813 21.760 9.099 1.00 50.22 C ATOM 527 O GLY A 36 7.408 21.147 8.111 1.00 63.25 O ATOM 0 H GLY A 36 5.778 20.208 9.963 1.00 2.34 H new ATOM 0 HA2 GLY A 36 7.749 22.043 11.219 1.00 71.34 H new ATOM 0 HA3 GLY A 36 8.151 20.411 10.725 1.00 71.34 H new ATOM 531 N THR A 37 8.527 22.878 9.013 1.00 42.32 N ATOM 532 CA THR A 37 8.883 23.461 7.725 1.00 32.11 C ATOM 533 C THR A 37 10.388 23.400 7.491 1.00 52.11 C ATOM 534 O THR A 37 11.177 23.735 8.374 1.00 4.42 O ATOM 535 CB THR A 37 8.418 24.926 7.624 1.00 73.23 C ATOM 536 OG1 THR A 37 7.023 25.020 7.936 1.00 63.11 O ATOM 537 CG2 THR A 37 8.669 25.478 6.229 1.00 75.15 C ATOM 0 H THR A 37 8.870 23.398 9.820 1.00 42.32 H new ATOM 0 HA THR A 37 8.375 22.873 6.961 1.00 32.11 H new ATOM 0 HB THR A 37 8.990 25.516 8.340 1.00 73.23 H new ATOM 0 HG1 THR A 37 6.736 25.955 7.871 1.00 63.11 H new ATOM 0 HG21 THR A 37 8.333 26.514 6.182 1.00 75.15 H new ATOM 0 HG22 THR A 37 9.735 25.432 6.006 1.00 75.15 H new ATOM 0 HG23 THR A 37 8.119 24.884 5.498 1.00 75.15 H new ATOM 545 N TYR A 38 10.779 22.971 6.296 1.00 11.21 N ATOM 546 CA TYR A 38 12.190 22.865 5.947 1.00 45.15 C ATOM 547 C TYR A 38 12.670 24.122 5.227 1.00 55.12 C ATOM 548 O TYR A 38 11.916 24.751 4.484 1.00 11.11 O ATOM 549 CB TYR A 38 12.428 21.638 5.065 1.00 23.44 C ATOM 550 CG TYR A 38 11.980 20.341 5.700 1.00 21.52 C ATOM 551 CD1 TYR A 38 10.637 19.985 5.727 1.00 50.15 C ATOM 552 CD2 TYR A 38 12.899 19.471 6.274 1.00 10.05 C ATOM 553 CE1 TYR A 38 10.223 18.801 6.306 1.00 55.50 C ATOM 554 CE2 TYR A 38 12.494 18.285 6.855 1.00 72.32 C ATOM 555 CZ TYR A 38 11.155 17.954 6.868 1.00 13.53 C ATOM 556 OH TYR A 38 10.747 16.774 7.447 1.00 51.34 O ATOM 0 H TYR A 38 10.138 22.691 5.553 1.00 11.21 H new ATOM 0 HA TYR A 38 12.759 22.757 6.871 1.00 45.15 H new ATOM 0 HB2 TYR A 38 11.901 21.772 4.121 1.00 23.44 H new ATOM 0 HB3 TYR A 38 13.490 21.570 4.830 1.00 23.44 H new ATOM 0 HD1 TYR A 38 9.904 20.645 5.288 1.00 50.15 H new ATOM 0 HD2 TYR A 38 13.948 19.727 6.266 1.00 10.05 H new ATOM 0 HE1 TYR A 38 9.175 18.540 6.318 1.00 55.50 H new ATOM 0 HE2 TYR A 38 13.222 17.620 7.297 1.00 72.32 H new ATOM 0 HH TYR A 38 11.527 16.293 7.795 1.00 51.34 H new ATOM 566 N SER A 39 13.929 24.482 5.453 1.00 61.44 N ATOM 567 CA SER A 39 14.510 25.665 4.829 1.00 32.01 C ATOM 568 C SER A 39 14.620 25.484 3.318 1.00 12.21 C ATOM 569 O SER A 39 14.886 26.437 2.586 1.00 44.23 O ATOM 570 CB SER A 39 15.890 25.954 5.421 1.00 4.04 C ATOM 571 OG SER A 39 16.117 27.349 5.530 1.00 62.44 O ATOM 0 H SER A 39 14.567 23.971 6.064 1.00 61.44 H new ATOM 0 HA SER A 39 13.852 26.511 5.029 1.00 32.01 H new ATOM 0 HB2 SER A 39 15.971 25.491 6.405 1.00 4.04 H new ATOM 0 HB3 SER A 39 16.660 25.505 4.793 1.00 4.04 H new ATOM 0 HG SER A 39 17.005 27.507 5.913 1.00 62.44 H new ATOM 577 N ASP A 40 14.413 24.255 2.859 1.00 33.03 N ATOM 578 CA ASP A 40 14.487 23.948 1.436 1.00 62.43 C ATOM 579 C ASP A 40 13.335 24.599 0.678 1.00 55.20 C ATOM 580 O ASP A 40 13.325 24.630 -0.552 1.00 23.32 O ATOM 581 CB ASP A 40 14.466 22.434 1.217 1.00 25.12 C ATOM 582 CG ASP A 40 15.563 21.969 0.279 1.00 51.31 C ATOM 583 OD1 ASP A 40 15.916 22.733 -0.644 1.00 24.42 O ATOM 584 OD2 ASP A 40 16.067 20.842 0.467 1.00 40.11 O ATOM 0 H ASP A 40 14.193 23.455 3.452 1.00 33.03 H new ATOM 0 HA ASP A 40 15.424 24.350 1.052 1.00 62.43 H new ATOM 0 HB2 ASP A 40 14.575 21.929 2.177 1.00 25.12 H new ATOM 0 HB3 ASP A 40 13.497 22.142 0.811 1.00 25.12 H new ATOM 589 N GLY A 41 12.363 25.119 1.422 1.00 75.22 N ATOM 590 CA GLY A 41 11.218 25.761 0.803 1.00 11.51 C ATOM 591 C GLY A 41 10.001 24.859 0.756 1.00 23.41 C ATOM 592 O GLY A 41 9.158 24.986 -0.132 1.00 74.51 O ATOM 0 H GLY A 41 12.348 25.107 2.442 1.00 75.22 H new ATOM 0 HA2 GLY A 41 10.972 26.668 1.355 1.00 11.51 H new ATOM 0 HA3 GLY A 41 11.480 26.065 -0.210 1.00 11.51 H new ATOM 596 N THR A 42 9.909 23.941 1.714 1.00 4.41 N ATOM 597 CA THR A 42 8.789 23.011 1.777 1.00 11.51 C ATOM 598 C THR A 42 8.202 22.952 3.183 1.00 64.42 C ATOM 599 O THR A 42 8.782 23.480 4.132 1.00 63.30 O ATOM 600 CB THR A 42 9.211 21.593 1.348 1.00 11.53 C ATOM 601 OG1 THR A 42 8.061 20.744 1.266 1.00 22.15 O ATOM 602 CG2 THR A 42 10.213 21.007 2.331 1.00 34.54 C ATOM 0 H THR A 42 10.598 23.822 2.457 1.00 4.41 H new ATOM 0 HA THR A 42 8.032 23.381 1.086 1.00 11.51 H new ATOM 0 HB THR A 42 9.684 21.658 0.368 1.00 11.53 H new ATOM 0 HG1 THR A 42 8.337 19.845 0.991 1.00 22.15 H new ATOM 0 HG21 THR A 42 10.497 20.005 2.008 1.00 34.54 H new ATOM 0 HG22 THR A 42 11.099 21.641 2.369 1.00 34.54 H new ATOM 0 HG23 THR A 42 9.762 20.954 3.322 1.00 34.54 H new ATOM 610 N LYS A 43 7.049 22.304 3.311 1.00 40.54 N ATOM 611 CA LYS A 43 6.384 22.173 4.601 1.00 13.13 C ATOM 612 C LYS A 43 5.632 20.849 4.694 1.00 51.13 C ATOM 613 O LYS A 43 4.875 20.490 3.792 1.00 2.21 O ATOM 614 CB LYS A 43 5.415 23.338 4.820 1.00 25.11 C ATOM 615 CG LYS A 43 4.763 23.337 6.192 1.00 74.25 C ATOM 616 CD LYS A 43 3.935 24.591 6.416 1.00 5.44 C ATOM 617 CE LYS A 43 3.507 24.724 7.870 1.00 62.42 C ATOM 618 NZ LYS A 43 3.272 26.144 8.252 1.00 61.42 N ATOM 0 H LYS A 43 6.556 21.861 2.536 1.00 40.54 H new ATOM 0 HA LYS A 43 7.148 22.193 5.378 1.00 13.13 H new ATOM 0 HB2 LYS A 43 5.952 24.277 4.683 1.00 25.11 H new ATOM 0 HB3 LYS A 43 4.637 23.301 4.057 1.00 25.11 H new ATOM 0 HG2 LYS A 43 4.127 22.457 6.293 1.00 74.25 H new ATOM 0 HG3 LYS A 43 5.532 23.265 6.961 1.00 74.25 H new ATOM 0 HD2 LYS A 43 4.514 25.467 6.124 1.00 5.44 H new ATOM 0 HD3 LYS A 43 3.053 24.565 5.777 1.00 5.44 H new ATOM 0 HE2 LYS A 43 2.596 24.148 8.034 1.00 62.42 H new ATOM 0 HE3 LYS A 43 4.275 24.297 8.515 1.00 62.42 H new ATOM 0 HZ1 LYS A 43 2.982 26.192 9.250 1.00 61.42 H new ATOM 0 HZ2 LYS A 43 4.148 26.689 8.120 1.00 61.42 H new ATOM 0 HZ3 LYS A 43 2.521 26.545 7.654 1.00 61.42 H new ATOM 632 N ALA A 44 5.845 20.128 5.790 1.00 53.23 N ATOM 633 CA ALA A 44 5.184 18.846 6.001 1.00 43.11 C ATOM 634 C ALA A 44 4.863 18.630 7.476 1.00 50.42 C ATOM 635 O ALA A 44 5.594 19.089 8.354 1.00 64.43 O ATOM 636 CB ALA A 44 6.053 17.712 5.477 1.00 40.34 C ATOM 0 H ALA A 44 6.470 20.410 6.545 1.00 53.23 H new ATOM 0 HA ALA A 44 4.244 18.855 5.449 1.00 43.11 H new ATOM 0 HB1 ALA A 44 5.547 16.760 5.641 1.00 40.34 H new ATOM 0 HB2 ALA A 44 6.228 17.851 4.410 1.00 40.34 H new ATOM 0 HB3 ALA A 44 7.007 17.711 6.004 1.00 40.34 H new ATOM 642 N ASP A 45 3.765 17.931 7.741 1.00 1.12 N ATOM 643 CA ASP A 45 3.347 17.654 9.111 1.00 41.44 C ATOM 644 C ASP A 45 3.979 16.363 9.621 1.00 1.33 C ATOM 645 O ASP A 45 3.522 15.266 9.299 1.00 60.22 O ATOM 646 CB ASP A 45 1.823 17.558 9.192 1.00 71.55 C ATOM 647 CG ASP A 45 1.250 16.586 8.179 1.00 71.14 C ATOM 648 OD1 ASP A 45 1.181 16.945 6.984 1.00 15.54 O ATOM 649 OD2 ASP A 45 0.872 15.466 8.580 1.00 73.33 O ATOM 0 H ASP A 45 3.148 17.546 7.026 1.00 1.12 H new ATOM 0 HA ASP A 45 3.685 18.476 9.742 1.00 41.44 H new ATOM 0 HB2 ASP A 45 1.534 17.245 10.195 1.00 71.55 H new ATOM 0 HB3 ASP A 45 1.390 18.545 9.029 1.00 71.55 H new ATOM 654 N LEU A 46 5.033 16.501 10.418 1.00 13.54 N ATOM 655 CA LEU A 46 5.729 15.346 10.973 1.00 20.15 C ATOM 656 C LEU A 46 5.818 15.442 12.493 1.00 31.12 C ATOM 657 O LEU A 46 6.331 16.421 13.036 1.00 52.21 O ATOM 658 CB LEU A 46 7.132 15.236 10.375 1.00 25.51 C ATOM 659 CG LEU A 46 7.205 15.112 8.853 1.00 62.33 C ATOM 660 CD1 LEU A 46 8.648 14.955 8.398 1.00 1.33 C ATOM 661 CD2 LEU A 46 6.363 13.939 8.372 1.00 14.21 C ATOM 0 H LEU A 46 5.424 17.402 10.694 1.00 13.54 H new ATOM 0 HA LEU A 46 5.160 14.452 10.717 1.00 20.15 H new ATOM 0 HB2 LEU A 46 7.703 16.114 10.676 1.00 25.51 H new ATOM 0 HB3 LEU A 46 7.625 14.369 10.814 1.00 25.51 H new ATOM 0 HG LEU A 46 6.804 16.026 8.415 1.00 62.33 H new ATOM 0 HD11 LEU A 46 8.680 14.868 7.312 1.00 1.33 H new ATOM 0 HD12 LEU A 46 9.225 15.826 8.709 1.00 1.33 H new ATOM 0 HD13 LEU A 46 9.075 14.058 8.846 1.00 1.33 H new ATOM 0 HD21 LEU A 46 6.427 13.866 7.286 1.00 14.21 H new ATOM 0 HD22 LEU A 46 6.734 13.017 8.820 1.00 14.21 H new ATOM 0 HD23 LEU A 46 5.324 14.092 8.665 1.00 14.21 H new ATOM 673 N THR A 47 5.316 14.417 13.176 1.00 5.42 N ATOM 674 CA THR A 47 5.340 14.385 14.633 1.00 11.40 C ATOM 675 C THR A 47 6.473 13.503 15.145 1.00 13.44 C ATOM 676 O THR A 47 7.068 13.783 16.186 1.00 41.21 O ATOM 677 CB THR A 47 4.005 13.871 15.205 1.00 3.42 C ATOM 678 OG1 THR A 47 3.528 12.771 14.423 1.00 42.23 O ATOM 679 CG2 THR A 47 2.962 14.978 15.223 1.00 51.25 C ATOM 0 H THR A 47 4.888 13.599 12.743 1.00 5.42 H new ATOM 0 HA THR A 47 5.501 15.409 14.969 1.00 11.40 H new ATOM 0 HB THR A 47 4.177 13.540 16.229 1.00 3.42 H new ATOM 0 HG1 THR A 47 2.771 12.348 14.880 1.00 42.23 H new ATOM 0 HG21 THR A 47 2.028 14.591 15.631 1.00 51.25 H new ATOM 0 HG22 THR A 47 3.316 15.801 15.844 1.00 51.25 H new ATOM 0 HG23 THR A 47 2.794 15.336 14.207 1.00 51.25 H new ATOM 687 N SER A 48 6.766 12.437 14.408 1.00 43.20 N ATOM 688 CA SER A 48 7.827 11.512 14.790 1.00 73.00 C ATOM 689 C SER A 48 9.197 12.170 14.654 1.00 34.25 C ATOM 690 O SER A 48 10.169 11.738 15.274 1.00 14.32 O ATOM 691 CB SER A 48 7.767 10.250 13.927 1.00 33.02 C ATOM 692 OG SER A 48 8.242 10.505 12.617 1.00 43.01 O ATOM 0 H SER A 48 6.284 12.192 13.543 1.00 43.20 H new ATOM 0 HA SER A 48 7.677 11.237 15.834 1.00 73.00 H new ATOM 0 HB2 SER A 48 8.364 9.463 14.387 1.00 33.02 H new ATOM 0 HB3 SER A 48 6.741 9.886 13.881 1.00 33.02 H new ATOM 0 HG SER A 48 8.195 9.683 12.086 1.00 43.01 H new ATOM 698 N SER A 49 9.265 13.217 13.839 1.00 50.21 N ATOM 699 CA SER A 49 10.516 13.933 13.618 1.00 52.41 C ATOM 700 C SER A 49 10.909 14.735 14.855 1.00 55.31 C ATOM 701 O SER A 49 12.071 14.743 15.261 1.00 33.32 O ATOM 702 CB SER A 49 10.388 14.865 12.411 1.00 0.44 C ATOM 703 OG SER A 49 11.411 14.615 11.463 1.00 74.22 O ATOM 0 H SER A 49 8.469 13.589 13.321 1.00 50.21 H new ATOM 0 HA SER A 49 11.297 13.198 13.420 1.00 52.41 H new ATOM 0 HB2 SER A 49 9.413 14.728 11.943 1.00 0.44 H new ATOM 0 HB3 SER A 49 10.440 15.902 12.741 1.00 0.44 H new ATOM 0 HG SER A 49 11.306 15.222 10.701 1.00 74.22 H new ATOM 709 N VAL A 50 9.930 15.410 15.450 1.00 2.41 N ATOM 710 CA VAL A 50 10.172 16.215 16.642 1.00 54.35 C ATOM 711 C VAL A 50 10.168 15.352 17.898 1.00 31.00 C ATOM 712 O VAL A 50 9.331 14.462 18.052 1.00 54.14 O ATOM 713 CB VAL A 50 9.115 17.326 16.792 1.00 2.10 C ATOM 714 CG1 VAL A 50 9.029 18.157 15.521 1.00 41.11 C ATOM 715 CG2 VAL A 50 7.760 16.728 17.141 1.00 45.51 C ATOM 0 H VAL A 50 8.963 15.415 15.126 1.00 2.41 H new ATOM 0 HA VAL A 50 11.154 16.672 16.522 1.00 54.35 H new ATOM 0 HB VAL A 50 9.417 17.984 17.607 1.00 2.10 H new ATOM 0 HG11 VAL A 50 8.277 18.936 15.646 1.00 41.11 H new ATOM 0 HG12 VAL A 50 9.997 18.616 15.320 1.00 41.11 H new ATOM 0 HG13 VAL A 50 8.751 17.515 14.685 1.00 41.11 H new ATOM 0 HG21 VAL A 50 7.025 17.527 17.243 1.00 45.51 H new ATOM 0 HG22 VAL A 50 7.448 16.047 16.349 1.00 45.51 H new ATOM 0 HG23 VAL A 50 7.835 16.181 18.081 1.00 45.51 H new ATOM 725 N THR A 51 11.110 15.621 18.797 1.00 60.52 N ATOM 726 CA THR A 51 11.217 14.868 20.041 1.00 55.35 C ATOM 727 C THR A 51 10.189 15.345 21.061 1.00 5.11 C ATOM 728 O THR A 51 10.129 16.531 21.387 1.00 30.52 O ATOM 729 CB THR A 51 12.625 14.990 20.652 1.00 63.44 C ATOM 730 OG1 THR A 51 13.615 14.925 19.618 1.00 33.25 O ATOM 731 CG2 THR A 51 12.872 13.884 21.667 1.00 72.21 C ATOM 0 H THR A 51 11.810 16.355 18.687 1.00 60.52 H new ATOM 0 HA THR A 51 11.025 13.823 19.796 1.00 55.35 H new ATOM 0 HB THR A 51 12.694 15.951 21.161 1.00 63.44 H new ATOM 0 HG1 THR A 51 14.508 15.005 20.014 1.00 33.25 H new ATOM 0 HG21 THR A 51 13.873 13.991 22.085 1.00 72.21 H new ATOM 0 HG22 THR A 51 12.135 13.953 22.467 1.00 72.21 H new ATOM 0 HG23 THR A 51 12.785 12.914 21.177 1.00 72.21 H new ATOM 739 N TRP A 52 9.385 14.415 21.562 1.00 31.02 N ATOM 740 CA TRP A 52 8.360 14.741 22.547 1.00 0.34 C ATOM 741 C TRP A 52 8.762 14.250 23.934 1.00 52.42 C ATOM 742 O TRP A 52 9.058 13.071 24.123 1.00 63.32 O ATOM 743 CB TRP A 52 7.020 14.125 22.143 1.00 71.31 C ATOM 744 CG TRP A 52 6.434 14.736 20.906 1.00 21.30 C ATOM 745 CD1 TRP A 52 6.417 14.193 19.653 1.00 61.11 C ATOM 746 CD2 TRP A 52 5.783 16.006 20.804 1.00 54.41 C ATOM 747 NE1 TRP A 52 5.794 15.050 18.778 1.00 61.21 N ATOM 748 CE2 TRP A 52 5.395 16.169 19.459 1.00 30.04 C ATOM 749 CE3 TRP A 52 5.487 17.022 21.717 1.00 31.34 C ATOM 750 CZ2 TRP A 52 4.729 17.306 19.009 1.00 22.13 C ATOM 751 CZ3 TRP A 52 4.826 18.150 21.269 1.00 24.40 C ATOM 752 CH2 TRP A 52 4.453 18.284 19.925 1.00 14.23 C ATOM 0 H TRP A 52 9.423 13.429 21.303 1.00 31.02 H new ATOM 0 HA TRP A 52 8.257 15.826 22.582 1.00 0.34 H new ATOM 0 HB2 TRP A 52 7.154 13.055 21.983 1.00 71.31 H new ATOM 0 HB3 TRP A 52 6.314 14.238 22.965 1.00 71.31 H new ATOM 0 HD1 TRP A 52 6.832 13.232 19.389 1.00 61.11 H new ATOM 0 HE1 TRP A 52 5.652 14.880 17.782 1.00 61.21 H new ATOM 0 HE3 TRP A 52 5.770 16.927 22.755 1.00 31.34 H new ATOM 0 HZ2 TRP A 52 4.441 17.412 17.974 1.00 22.13 H new ATOM 0 HZ3 TRP A 52 4.593 18.941 21.966 1.00 24.40 H new ATOM 0 HH2 TRP A 52 3.937 19.177 19.606 1.00 14.23 H new ATOM 763 N SER A 53 8.769 15.162 24.901 1.00 41.32 N ATOM 764 CA SER A 53 9.138 14.822 26.270 1.00 62.12 C ATOM 765 C SER A 53 8.290 15.601 27.271 1.00 63.13 C ATOM 766 O SER A 53 8.105 16.810 27.135 1.00 13.23 O ATOM 767 CB SER A 53 10.622 15.111 26.507 1.00 32.53 C ATOM 768 OG SER A 53 11.370 13.909 26.577 1.00 43.35 O ATOM 0 H SER A 53 8.523 16.142 24.762 1.00 41.32 H new ATOM 0 HA SER A 53 8.954 13.758 26.416 1.00 62.12 H new ATOM 0 HB2 SER A 53 11.007 15.737 25.702 1.00 32.53 H new ATOM 0 HB3 SER A 53 10.743 15.673 27.433 1.00 32.53 H new ATOM 0 HG SER A 53 12.315 14.120 26.727 1.00 43.35 H new ATOM 774 N SER A 54 7.778 14.898 28.276 1.00 50.20 N ATOM 775 CA SER A 54 6.946 15.522 29.299 1.00 62.34 C ATOM 776 C SER A 54 7.549 15.321 30.686 1.00 51.02 C ATOM 777 O SER A 54 8.291 14.367 30.920 1.00 14.13 O ATOM 778 CB SER A 54 5.530 14.944 29.257 1.00 64.42 C ATOM 779 OG SER A 54 5.007 14.780 30.564 1.00 43.43 O ATOM 0 H SER A 54 7.924 13.897 28.404 1.00 50.20 H new ATOM 0 HA SER A 54 6.900 16.591 29.093 1.00 62.34 H new ATOM 0 HB2 SER A 54 4.881 15.605 28.683 1.00 64.42 H new ATOM 0 HB3 SER A 54 5.541 13.983 28.743 1.00 64.42 H new ATOM 0 HG SER A 54 4.101 14.411 30.510 1.00 43.43 H new ATOM 785 N SER A 55 7.224 16.228 31.602 1.00 64.21 N ATOM 786 CA SER A 55 7.736 16.154 32.965 1.00 21.14 C ATOM 787 C SER A 55 7.496 14.770 33.561 1.00 11.25 C ATOM 788 O SER A 55 8.421 13.970 33.692 1.00 31.32 O ATOM 789 CB SER A 55 7.074 17.220 33.840 1.00 54.33 C ATOM 790 OG SER A 55 7.708 18.477 33.680 1.00 43.21 O ATOM 0 H SER A 55 6.609 17.022 31.425 1.00 64.21 H new ATOM 0 HA SER A 55 8.810 16.336 32.933 1.00 21.14 H new ATOM 0 HB2 SER A 55 6.019 17.305 33.579 1.00 54.33 H new ATOM 0 HB3 SER A 55 7.120 16.916 34.886 1.00 54.33 H new ATOM 0 HG SER A 55 7.265 19.141 34.248 1.00 43.21 H new ATOM 796 N ASN A 56 6.246 14.497 33.921 1.00 20.43 N ATOM 797 CA ASN A 56 5.883 13.210 34.504 1.00 13.24 C ATOM 798 C ASN A 56 6.282 12.063 33.582 1.00 64.50 C ATOM 799 O ASN A 56 5.765 11.937 32.472 1.00 22.14 O ATOM 800 CB ASN A 56 4.378 13.158 34.779 1.00 5.05 C ATOM 801 CG ASN A 56 3.962 14.095 35.897 1.00 23.21 C ATOM 802 OD1 ASN A 56 4.504 14.040 37.002 1.00 54.45 O ATOM 803 ND2 ASN A 56 2.996 14.960 35.614 1.00 14.24 N ATOM 0 H ASN A 56 5.468 15.149 33.819 1.00 20.43 H new ATOM 0 HA ASN A 56 6.422 13.100 35.445 1.00 13.24 H new ATOM 0 HB2 ASN A 56 3.836 13.418 33.870 1.00 5.05 H new ATOM 0 HB3 ASN A 56 4.094 12.138 35.039 1.00 5.05 H new ATOM 0 HD21 ASN A 56 2.674 15.615 36.326 1.00 14.24 H new ATOM 0 HD22 ASN A 56 2.576 14.969 34.685 1.00 14.24 H new ATOM 810 N GLN A 57 7.205 11.228 34.050 1.00 2.30 N ATOM 811 CA GLN A 57 7.674 10.091 33.267 1.00 50.21 C ATOM 812 C GLN A 57 6.542 9.101 33.013 1.00 11.22 C ATOM 813 O GLN A 57 6.562 8.359 32.031 1.00 34.14 O ATOM 814 CB GLN A 57 8.828 9.391 33.986 1.00 63.11 C ATOM 815 CG GLN A 57 10.083 9.260 33.138 1.00 4.42 C ATOM 816 CD GLN A 57 10.078 8.014 32.275 1.00 14.21 C ATOM 817 OE1 GLN A 57 9.978 6.896 32.780 1.00 32.42 O ATOM 818 NE2 GLN A 57 10.185 8.201 30.965 1.00 72.23 N ATOM 0 H GLN A 57 7.642 11.318 34.967 1.00 2.30 H new ATOM 0 HA GLN A 57 8.028 10.465 32.306 1.00 50.21 H new ATOM 0 HB2 GLN A 57 9.069 9.945 34.894 1.00 63.11 H new ATOM 0 HB3 GLN A 57 8.503 8.398 34.295 1.00 63.11 H new ATOM 0 HG2 GLN A 57 10.179 10.139 32.500 1.00 4.42 H new ATOM 0 HG3 GLN A 57 10.957 9.242 33.790 1.00 4.42 H new ATOM 0 HE21 GLN A 57 10.266 9.146 30.590 1.00 72.23 H new ATOM 0 HE22 GLN A 57 10.186 7.400 30.334 1.00 72.23 H new ATOM 827 N SER A 58 5.556 9.096 33.905 1.00 23.40 N ATOM 828 CA SER A 58 4.417 8.194 33.780 1.00 64.40 C ATOM 829 C SER A 58 3.407 8.731 32.770 1.00 25.53 C ATOM 830 O SER A 58 2.898 7.987 31.932 1.00 11.51 O ATOM 831 CB SER A 58 3.743 7.999 35.139 1.00 35.21 C ATOM 832 OG SER A 58 4.518 7.160 35.978 1.00 0.30 O ATOM 0 H SER A 58 5.523 9.706 34.722 1.00 23.40 H new ATOM 0 HA SER A 58 4.784 7.232 33.423 1.00 64.40 H new ATOM 0 HB2 SER A 58 3.600 8.967 35.620 1.00 35.21 H new ATOM 0 HB3 SER A 58 2.754 7.564 34.998 1.00 35.21 H new ATOM 0 HG SER A 58 4.066 7.053 36.841 1.00 0.30 H new ATOM 838 N GLN A 59 3.124 10.026 32.858 1.00 10.12 N ATOM 839 CA GLN A 59 2.175 10.663 31.953 1.00 34.11 C ATOM 840 C GLN A 59 2.856 11.078 30.654 1.00 41.35 C ATOM 841 O GLN A 59 2.218 11.624 29.754 1.00 61.34 O ATOM 842 CB GLN A 59 1.539 11.883 32.622 1.00 23.13 C ATOM 843 CG GLN A 59 0.845 11.563 33.936 1.00 1.45 C ATOM 844 CD GLN A 59 0.830 12.742 34.890 1.00 22.32 C ATOM 845 OE1 GLN A 59 0.734 13.895 34.469 1.00 22.21 O ATOM 846 NE2 GLN A 59 0.925 12.458 36.184 1.00 62.21 N ATOM 0 H GLN A 59 3.538 10.655 33.546 1.00 10.12 H new ATOM 0 HA GLN A 59 1.395 9.939 31.718 1.00 34.11 H new ATOM 0 HB2 GLN A 59 2.310 12.632 32.801 1.00 23.13 H new ATOM 0 HB3 GLN A 59 0.816 12.327 31.937 1.00 23.13 H new ATOM 0 HG2 GLN A 59 -0.180 11.250 33.735 1.00 1.45 H new ATOM 0 HG3 GLN A 59 1.347 10.721 34.412 1.00 1.45 H new ATOM 0 HE21 GLN A 59 1.003 11.488 36.489 1.00 62.21 H new ATOM 0 HE22 GLN A 59 0.920 13.210 36.873 1.00 62.21 H new ATOM 855 N ALA A 60 4.156 10.817 30.563 1.00 20.10 N ATOM 856 CA ALA A 60 4.924 11.162 29.373 1.00 54.20 C ATOM 857 C ALA A 60 4.739 10.117 28.278 1.00 31.12 C ATOM 858 O ALA A 60 5.639 9.323 28.005 1.00 45.24 O ATOM 859 CB ALA A 60 6.397 11.311 29.720 1.00 25.23 C ATOM 0 H ALA A 60 4.700 10.367 31.300 1.00 20.10 H new ATOM 0 HA ALA A 60 4.553 12.115 28.995 1.00 54.20 H new ATOM 0 HB1 ALA A 60 6.958 11.569 28.822 1.00 25.23 H new ATOM 0 HB2 ALA A 60 6.518 12.100 30.462 1.00 25.23 H new ATOM 0 HB3 ALA A 60 6.772 10.371 30.125 1.00 25.23 H new ATOM 865 N LYS A 61 3.566 10.121 27.654 1.00 13.25 N ATOM 866 CA LYS A 61 3.262 9.174 26.588 1.00 31.15 C ATOM 867 C LYS A 61 2.980 9.902 25.278 1.00 60.41 C ATOM 868 O LYS A 61 2.292 10.923 25.259 1.00 64.44 O ATOM 869 CB LYS A 61 2.059 8.310 26.973 1.00 32.04 C ATOM 870 CG LYS A 61 2.370 6.824 27.030 1.00 0.43 C ATOM 871 CD LYS A 61 2.369 6.309 28.460 1.00 72.24 C ATOM 872 CE LYS A 61 3.696 6.581 29.152 1.00 54.34 C ATOM 873 NZ LYS A 61 4.735 5.586 28.770 1.00 61.31 N ATOM 0 H LYS A 61 2.809 10.771 27.869 1.00 13.25 H new ATOM 0 HA LYS A 61 4.132 8.532 26.447 1.00 31.15 H new ATOM 0 HB2 LYS A 61 1.687 8.632 27.946 1.00 32.04 H new ATOM 0 HB3 LYS A 61 1.257 8.477 26.254 1.00 32.04 H new ATOM 0 HG2 LYS A 61 1.634 6.274 26.444 1.00 0.43 H new ATOM 0 HG3 LYS A 61 3.343 6.637 26.576 1.00 0.43 H new ATOM 0 HD2 LYS A 61 1.562 6.784 29.018 1.00 72.24 H new ATOM 0 HD3 LYS A 61 2.170 5.237 28.462 1.00 72.24 H new ATOM 0 HE2 LYS A 61 4.041 7.583 28.895 1.00 54.34 H new ATOM 0 HE3 LYS A 61 3.553 6.560 30.232 1.00 54.34 H new ATOM 0 HZ1 LYS A 61 5.624 5.806 29.263 1.00 61.31 H new ATOM 0 HZ2 LYS A 61 4.418 4.632 29.038 1.00 61.31 H new ATOM 0 HZ3 LYS A 61 4.890 5.623 27.742 1.00 61.31 H new ATOM 887 N VAL A 62 3.514 9.369 24.184 1.00 65.15 N ATOM 888 CA VAL A 62 3.318 9.966 22.868 1.00 0.42 C ATOM 889 C VAL A 62 3.216 8.896 21.788 1.00 61.42 C ATOM 890 O VAL A 62 3.930 7.893 21.824 1.00 55.13 O ATOM 891 CB VAL A 62 4.465 10.931 22.513 1.00 61.12 C ATOM 892 CG1 VAL A 62 4.318 12.240 23.274 1.00 74.31 C ATOM 893 CG2 VAL A 62 5.812 10.286 22.802 1.00 60.43 C ATOM 0 H VAL A 62 4.086 8.524 24.183 1.00 65.15 H new ATOM 0 HA VAL A 62 2.383 10.525 22.910 1.00 0.42 H new ATOM 0 HB VAL A 62 4.414 11.151 21.447 1.00 61.12 H new ATOM 0 HG11 VAL A 62 5.137 12.908 23.010 1.00 74.31 H new ATOM 0 HG12 VAL A 62 3.369 12.708 23.013 1.00 74.31 H new ATOM 0 HG13 VAL A 62 4.342 12.042 24.346 1.00 74.31 H new ATOM 0 HG21 VAL A 62 6.611 10.982 22.545 1.00 60.43 H new ATOM 0 HG22 VAL A 62 5.876 10.035 23.861 1.00 60.43 H new ATOM 0 HG23 VAL A 62 5.916 9.379 22.207 1.00 60.43 H new ATOM 903 N SER A 63 2.324 9.115 20.827 1.00 44.21 N ATOM 904 CA SER A 63 2.126 8.167 19.737 1.00 42.12 C ATOM 905 C SER A 63 2.523 8.786 18.400 1.00 70.21 C ATOM 906 O SER A 63 1.674 9.054 17.551 1.00 14.35 O ATOM 907 CB SER A 63 0.666 7.712 19.688 1.00 64.12 C ATOM 908 OG SER A 63 0.556 6.413 19.132 1.00 54.13 O ATOM 0 H SER A 63 1.727 9.941 20.781 1.00 44.21 H new ATOM 0 HA SER A 63 2.763 7.302 19.920 1.00 42.12 H new ATOM 0 HB2 SER A 63 0.246 7.717 20.694 1.00 64.12 H new ATOM 0 HB3 SER A 63 0.082 8.416 19.095 1.00 64.12 H new ATOM 0 HG SER A 63 -0.386 6.144 19.113 1.00 54.13 H new ATOM 914 N ASN A 64 3.821 9.009 18.220 1.00 12.34 N ATOM 915 CA ASN A 64 4.332 9.597 16.987 1.00 12.04 C ATOM 916 C ASN A 64 4.867 8.518 16.051 1.00 21.34 C ATOM 917 O ASN A 64 5.997 8.055 16.203 1.00 21.32 O ATOM 918 CB ASN A 64 5.435 10.610 17.300 1.00 62.03 C ATOM 919 CG ASN A 64 5.275 11.234 18.672 1.00 10.54 C ATOM 920 OD1 ASN A 64 4.353 12.015 18.908 1.00 52.45 O ATOM 921 ND2 ASN A 64 6.175 10.892 19.587 1.00 43.34 N ATOM 0 H ASN A 64 4.538 8.791 18.912 1.00 12.34 H new ATOM 0 HA ASN A 64 3.509 10.109 16.489 1.00 12.04 H new ATOM 0 HB2 ASN A 64 6.405 10.117 17.239 1.00 62.03 H new ATOM 0 HB3 ASN A 64 5.429 11.395 16.544 1.00 62.03 H new ATOM 0 HD21 ASN A 64 6.118 11.280 20.528 1.00 43.34 H new ATOM 0 HD22 ASN A 64 6.923 10.241 19.348 1.00 43.34 H new ATOM 928 N ALA A 65 4.047 8.122 15.083 1.00 2.11 N ATOM 929 CA ALA A 65 4.439 7.100 14.121 1.00 73.32 C ATOM 930 C ALA A 65 3.540 7.132 12.890 1.00 74.45 C ATOM 931 O ALA A 65 4.012 6.996 11.761 1.00 75.42 O ATOM 932 CB ALA A 65 4.401 5.723 14.768 1.00 4.44 C ATOM 0 H ALA A 65 3.107 8.494 14.944 1.00 2.11 H new ATOM 0 HA ALA A 65 5.459 7.311 13.800 1.00 73.32 H new ATOM 0 HB1 ALA A 65 4.696 4.970 14.038 1.00 4.44 H new ATOM 0 HB2 ALA A 65 5.089 5.699 15.613 1.00 4.44 H new ATOM 0 HB3 ALA A 65 3.390 5.513 15.118 1.00 4.44 H new ATOM 938 N SER A 66 2.242 7.311 13.115 1.00 50.54 N ATOM 939 CA SER A 66 1.276 7.357 12.023 1.00 31.52 C ATOM 940 C SER A 66 1.674 8.404 10.988 1.00 44.00 C ATOM 941 O SER A 66 1.709 8.126 9.790 1.00 73.41 O ATOM 942 CB SER A 66 -0.122 7.663 12.564 1.00 51.23 C ATOM 943 OG SER A 66 -1.118 6.989 11.814 1.00 41.43 O ATOM 0 H SER A 66 1.835 7.426 14.043 1.00 50.54 H new ATOM 0 HA SER A 66 1.265 6.380 11.539 1.00 31.52 H new ATOM 0 HB2 SER A 66 -0.184 7.363 13.610 1.00 51.23 H new ATOM 0 HB3 SER A 66 -0.301 8.738 12.530 1.00 51.23 H new ATOM 0 HG SER A 66 -2.002 7.200 12.181 1.00 41.43 H new ATOM 949 N GLU A 67 1.974 9.610 11.461 1.00 65.24 N ATOM 950 CA GLU A 67 2.370 10.700 10.576 1.00 33.40 C ATOM 951 C GLU A 67 2.557 11.996 11.359 1.00 34.35 C ATOM 952 O GLU A 67 3.682 12.410 11.638 1.00 23.15 O ATOM 953 CB GLU A 67 1.322 10.901 9.479 1.00 65.44 C ATOM 954 CG GLU A 67 1.791 10.461 8.102 1.00 65.01 C ATOM 955 CD GLU A 67 2.204 11.628 7.226 1.00 24.10 C ATOM 956 OE1 GLU A 67 3.326 12.144 7.416 1.00 33.12 O ATOM 957 OE2 GLU A 67 1.407 12.025 6.351 1.00 10.12 O ATOM 0 H GLU A 67 1.950 9.857 12.450 1.00 65.24 H new ATOM 0 HA GLU A 67 3.322 10.433 10.116 1.00 33.40 H new ATOM 0 HB2 GLU A 67 0.422 10.345 9.742 1.00 65.44 H new ATOM 0 HB3 GLU A 67 1.046 11.955 9.440 1.00 65.44 H new ATOM 0 HG2 GLU A 67 2.633 9.777 8.210 1.00 65.01 H new ATOM 0 HG3 GLU A 67 0.992 9.907 7.610 1.00 65.01 H new ATOM 964 N THR A 68 1.444 12.633 11.712 1.00 43.12 N ATOM 965 CA THR A 68 1.484 13.883 12.461 1.00 21.50 C ATOM 966 C THR A 68 0.549 13.833 13.664 1.00 75.55 C ATOM 967 O THR A 68 0.078 14.865 14.141 1.00 3.31 O ATOM 968 CB THR A 68 1.098 15.082 11.575 1.00 65.25 C ATOM 969 OG1 THR A 68 1.339 16.307 12.276 1.00 74.20 O ATOM 970 CG2 THR A 68 -0.365 15.004 11.166 1.00 43.15 C ATOM 0 H THR A 68 0.504 12.304 11.491 1.00 43.12 H new ATOM 0 HA THR A 68 2.510 14.012 12.806 1.00 21.50 H new ATOM 0 HB THR A 68 1.712 15.053 10.675 1.00 65.25 H new ATOM 0 HG1 THR A 68 0.938 16.257 13.169 1.00 74.20 H new ATOM 0 HG21 THR A 68 -0.614 15.861 10.541 1.00 43.15 H new ATOM 0 HG22 THR A 68 -0.538 14.085 10.607 1.00 43.15 H new ATOM 0 HG23 THR A 68 -0.993 15.010 12.057 1.00 43.15 H new ATOM 978 N LYS A 69 0.282 12.625 14.150 1.00 1.21 N ATOM 979 CA LYS A 69 -0.596 12.440 15.299 1.00 32.51 C ATOM 980 C LYS A 69 -0.171 13.334 16.459 1.00 23.33 C ATOM 981 O LYS A 69 -0.733 14.408 16.666 1.00 1.12 O ATOM 982 CB LYS A 69 -0.589 10.974 15.741 1.00 1.41 C ATOM 983 CG LYS A 69 -1.430 10.068 14.858 1.00 4.52 C ATOM 984 CD LYS A 69 -2.770 9.751 15.500 1.00 3.34 C ATOM 985 CE LYS A 69 -3.897 9.780 14.480 1.00 15.52 C ATOM 986 NZ LYS A 69 -4.179 8.427 13.925 1.00 5.44 N ATOM 0 H LYS A 69 0.661 11.760 13.766 1.00 1.21 H new ATOM 0 HA LYS A 69 -1.607 12.719 15.001 1.00 32.51 H new ATOM 0 HB2 LYS A 69 0.438 10.610 15.747 1.00 1.41 H new ATOM 0 HB3 LYS A 69 -0.955 10.910 16.766 1.00 1.41 H new ATOM 0 HG2 LYS A 69 -1.592 10.548 13.893 1.00 4.52 H new ATOM 0 HG3 LYS A 69 -0.889 9.141 14.666 1.00 4.52 H new ATOM 0 HD2 LYS A 69 -2.727 8.768 15.968 1.00 3.34 H new ATOM 0 HD3 LYS A 69 -2.975 10.472 16.291 1.00 3.34 H new ATOM 0 HE2 LYS A 69 -4.799 10.176 14.947 1.00 15.52 H new ATOM 0 HE3 LYS A 69 -3.634 10.458 13.668 1.00 15.52 H new ATOM 0 HZ1 LYS A 69 -4.953 8.490 13.234 1.00 5.44 H new ATOM 0 HZ2 LYS A 69 -3.326 8.059 13.457 1.00 5.44 H new ATOM 0 HZ3 LYS A 69 -4.455 7.786 14.696 1.00 5.44 H new ATOM 1000 N GLY A 70 0.828 12.883 17.213 1.00 34.31 N ATOM 1001 CA GLY A 70 1.312 13.655 18.342 1.00 1.21 C ATOM 1002 C GLY A 70 0.500 13.416 19.600 1.00 61.15 C ATOM 1003 O GLY A 70 0.843 13.914 20.673 1.00 74.21 O ATOM 0 H GLY A 70 1.310 11.997 17.062 1.00 34.31 H new ATOM 0 HA2 GLY A 70 2.354 13.400 18.532 1.00 1.21 H new ATOM 0 HA3 GLY A 70 1.284 14.715 18.092 1.00 1.21 H new ATOM 1007 N LEU A 71 -0.580 12.653 19.468 1.00 4.33 N ATOM 1008 CA LEU A 71 -1.445 12.350 20.603 1.00 24.11 C ATOM 1009 C LEU A 71 -0.626 11.880 21.801 1.00 31.23 C ATOM 1010 O LEU A 71 0.363 11.163 21.648 1.00 4.50 O ATOM 1011 CB LEU A 71 -2.468 11.280 20.218 1.00 25.32 C ATOM 1012 CG LEU A 71 -1.914 9.873 19.990 1.00 25.24 C ATOM 1013 CD1 LEU A 71 -2.334 8.944 21.119 1.00 3.42 C ATOM 1014 CD2 LEU A 71 -2.378 9.328 18.648 1.00 74.41 C ATOM 0 H LEU A 71 -0.877 12.233 18.587 1.00 4.33 H new ATOM 0 HA LEU A 71 -1.971 13.263 20.882 1.00 24.11 H new ATOM 0 HB2 LEU A 71 -3.223 11.229 21.002 1.00 25.32 H new ATOM 0 HB3 LEU A 71 -2.975 11.601 19.308 1.00 25.32 H new ATOM 0 HG LEU A 71 -0.826 9.929 19.980 1.00 25.24 H new ATOM 0 HD11 LEU A 71 -1.931 7.947 20.939 1.00 3.42 H new ATOM 0 HD12 LEU A 71 -1.951 9.325 22.066 1.00 3.42 H new ATOM 0 HD13 LEU A 71 -3.422 8.893 21.162 1.00 3.42 H new ATOM 0 HD21 LEU A 71 -1.974 8.326 18.503 1.00 74.41 H new ATOM 0 HD22 LEU A 71 -3.467 9.287 18.629 1.00 74.41 H new ATOM 0 HD23 LEU A 71 -2.026 9.980 17.849 1.00 74.41 H new ATOM 1026 N VAL A 72 -1.047 12.286 22.995 1.00 22.00 N ATOM 1027 CA VAL A 72 -0.355 11.904 24.220 1.00 31.32 C ATOM 1028 C VAL A 72 -1.314 11.257 25.214 1.00 42.51 C ATOM 1029 O VAL A 72 -2.529 11.439 25.130 1.00 60.21 O ATOM 1030 CB VAL A 72 0.317 13.118 24.888 1.00 51.43 C ATOM 1031 CG1 VAL A 72 1.253 13.814 23.911 1.00 10.34 C ATOM 1032 CG2 VAL A 72 -0.733 14.085 25.414 1.00 51.34 C ATOM 0 H VAL A 72 -1.864 12.879 23.140 1.00 22.00 H new ATOM 0 HA VAL A 72 0.413 11.183 23.938 1.00 31.32 H new ATOM 0 HB VAL A 72 0.909 12.765 25.733 1.00 51.43 H new ATOM 0 HG11 VAL A 72 1.719 14.669 24.400 1.00 10.34 H new ATOM 0 HG12 VAL A 72 2.025 13.116 23.587 1.00 10.34 H new ATOM 0 HG13 VAL A 72 0.686 14.156 23.045 1.00 10.34 H new ATOM 0 HG21 VAL A 72 -0.241 14.937 25.883 1.00 51.34 H new ATOM 0 HG22 VAL A 72 -1.353 14.434 24.588 1.00 51.34 H new ATOM 0 HG23 VAL A 72 -1.359 13.578 26.149 1.00 51.34 H new ATOM 1042 N THR A 73 -0.760 10.502 26.157 1.00 65.31 N ATOM 1043 CA THR A 73 -1.565 9.827 27.167 1.00 2.22 C ATOM 1044 C THR A 73 -0.998 10.055 28.564 1.00 71.01 C ATOM 1045 O THR A 73 0.206 10.245 28.733 1.00 74.23 O ATOM 1046 CB THR A 73 -1.648 8.313 26.900 1.00 31.50 C ATOM 1047 OG1 THR A 73 -1.284 8.034 25.544 1.00 62.54 O ATOM 1048 CG2 THR A 73 -3.051 7.792 27.171 1.00 74.40 C ATOM 0 H THR A 73 0.244 10.343 26.242 1.00 65.31 H new ATOM 0 HA THR A 73 -2.566 10.254 27.110 1.00 2.22 H new ATOM 0 HB THR A 73 -0.954 7.809 27.573 1.00 31.50 H new ATOM 0 HG1 THR A 73 -1.338 7.069 25.383 1.00 62.54 H new ATOM 0 HG21 THR A 73 -3.085 6.720 26.975 1.00 74.40 H new ATOM 0 HG22 THR A 73 -3.314 7.980 28.212 1.00 74.40 H new ATOM 0 HG23 THR A 73 -3.761 8.302 26.520 1.00 74.40 H new ATOM 1056 N GLY A 74 -1.874 10.034 29.564 1.00 53.11 N ATOM 1057 CA GLY A 74 -1.442 10.239 30.934 1.00 45.22 C ATOM 1058 C GLY A 74 -1.820 9.085 31.840 1.00 23.33 C ATOM 1059 O GLY A 74 -2.812 8.397 31.599 1.00 71.10 O ATOM 0 H GLY A 74 -2.876 9.879 29.450 1.00 53.11 H new ATOM 0 HA2 GLY A 74 -0.361 10.374 30.954 1.00 45.22 H new ATOM 0 HA3 GLY A 74 -1.885 11.158 31.318 1.00 45.22 H new ATOM 1063 N ILE A 75 -1.027 8.870 32.885 1.00 43.33 N ATOM 1064 CA ILE A 75 -1.284 7.791 33.829 1.00 23.54 C ATOM 1065 C ILE A 75 -1.858 8.328 35.136 1.00 51.23 C ATOM 1066 O ILE A 75 -2.823 7.784 35.672 1.00 51.23 O ATOM 1067 CB ILE A 75 -0.002 6.993 34.135 1.00 32.10 C ATOM 1068 CG1 ILE A 75 0.550 6.364 32.855 1.00 64.55 C ATOM 1069 CG2 ILE A 75 -0.281 5.923 35.180 1.00 21.11 C ATOM 1070 CD1 ILE A 75 1.814 5.561 33.072 1.00 30.03 C ATOM 0 H ILE A 75 -0.201 9.429 33.098 1.00 43.33 H new ATOM 0 HA ILE A 75 -2.012 7.129 33.360 1.00 23.54 H new ATOM 0 HB ILE A 75 0.747 7.676 34.534 1.00 32.10 H new ATOM 0 HG12 ILE A 75 -0.212 5.717 32.420 1.00 64.55 H new ATOM 0 HG13 ILE A 75 0.750 7.152 32.130 1.00 64.55 H new ATOM 0 HG21 ILE A 75 0.634 5.368 35.386 1.00 21.11 H new ATOM 0 HG22 ILE A 75 -0.634 6.394 36.098 1.00 21.11 H new ATOM 0 HG23 ILE A 75 -1.044 5.240 34.807 1.00 21.11 H new ATOM 0 HD11 ILE A 75 2.148 5.145 32.122 1.00 30.03 H new ATOM 0 HD12 ILE A 75 2.591 6.209 33.478 1.00 30.03 H new ATOM 0 HD13 ILE A 75 1.614 4.751 33.773 1.00 30.03 H new ATOM 1082 N ALA A 76 -1.259 9.401 35.642 1.00 21.10 N ATOM 1083 CA ALA A 76 -1.713 10.015 36.883 1.00 11.15 C ATOM 1084 C ALA A 76 -2.022 11.495 36.683 1.00 20.20 C ATOM 1085 O ALA A 76 -1.785 12.048 35.610 1.00 44.45 O ATOM 1086 CB ALA A 76 -0.668 9.835 37.975 1.00 41.15 C ATOM 0 H ALA A 76 -0.458 9.863 35.211 1.00 21.10 H new ATOM 0 HA ALA A 76 -2.633 9.517 37.190 1.00 11.15 H new ATOM 0 HB1 ALA A 76 -1.021 10.299 38.896 1.00 41.15 H new ATOM 0 HB2 ALA A 76 -0.499 8.772 38.145 1.00 41.15 H new ATOM 0 HB3 ALA A 76 0.266 10.306 37.666 1.00 41.15 H new ATOM 1092 N SER A 77 -2.553 12.130 37.723 1.00 72.11 N ATOM 1093 CA SER A 77 -2.899 13.545 37.659 1.00 0.10 C ATOM 1094 C SER A 77 -1.645 14.413 37.695 1.00 64.14 C ATOM 1095 O SER A 77 -0.548 13.928 37.970 1.00 71.33 O ATOM 1096 CB SER A 77 -3.824 13.919 38.819 1.00 73.53 C ATOM 1097 OG SER A 77 -3.132 14.668 39.802 1.00 13.22 O ATOM 0 H SER A 77 -2.753 11.687 38.620 1.00 72.11 H new ATOM 0 HA SER A 77 -3.418 13.724 36.717 1.00 0.10 H new ATOM 0 HB2 SER A 77 -4.668 14.498 38.443 1.00 73.53 H new ATOM 0 HB3 SER A 77 -4.233 13.014 39.268 1.00 73.53 H new ATOM 0 HG SER A 77 -3.745 14.896 40.532 1.00 13.22 H new ATOM 1103 N GLY A 78 -1.816 15.701 37.414 1.00 44.33 N ATOM 1104 CA GLY A 78 -0.690 16.617 37.419 1.00 51.35 C ATOM 1105 C GLY A 78 -0.673 17.521 36.202 1.00 61.03 C ATOM 1106 O GLY A 78 -1.703 17.733 35.564 1.00 41.44 O ATOM 0 H GLY A 78 -2.714 16.127 37.183 1.00 44.33 H new ATOM 0 HA2 GLY A 78 -0.726 17.228 38.321 1.00 51.35 H new ATOM 0 HA3 GLY A 78 0.238 16.047 37.457 1.00 51.35 H new ATOM 1110 N ASN A 79 0.501 18.056 35.880 1.00 34.13 N ATOM 1111 CA ASN A 79 0.647 18.944 34.733 1.00 42.11 C ATOM 1112 C ASN A 79 1.615 18.357 33.710 1.00 24.35 C ATOM 1113 O ASN A 79 2.705 18.880 33.478 1.00 3.35 O ATOM 1114 CB ASN A 79 1.139 20.320 35.186 1.00 4.02 C ATOM 1115 CG ASN A 79 2.128 20.232 36.333 1.00 34.51 C ATOM 1116 OD1 ASN A 79 3.294 19.891 36.137 1.00 43.10 O ATOM 1117 ND2 ASN A 79 1.663 20.538 37.539 1.00 43.31 N ATOM 0 H ASN A 79 1.364 17.890 36.397 1.00 34.13 H new ATOM 0 HA ASN A 79 -0.330 19.052 34.262 1.00 42.11 H new ATOM 0 HB2 ASN A 79 1.607 20.830 34.344 1.00 4.02 H new ATOM 0 HB3 ASN A 79 0.286 20.926 35.491 1.00 4.02 H new ATOM 0 HD21 ASN A 79 2.281 20.495 38.350 1.00 43.31 H new ATOM 0 HD22 ASN A 79 0.688 20.816 37.654 1.00 43.31 H new ATOM 1124 N PRO A 80 1.209 17.243 33.083 1.00 25.22 N ATOM 1125 CA PRO A 80 2.025 16.560 32.074 1.00 4.44 C ATOM 1126 C PRO A 80 2.141 17.363 30.783 1.00 64.10 C ATOM 1127 O PRO A 80 1.475 17.064 29.791 1.00 24.42 O ATOM 1128 CB PRO A 80 1.265 15.255 31.827 1.00 53.45 C ATOM 1129 CG PRO A 80 -0.147 15.565 32.188 1.00 1.20 C ATOM 1130 CD PRO A 80 -0.077 16.564 33.310 1.00 74.10 C ATOM 0 HA PRO A 80 3.051 16.413 32.410 1.00 4.44 H new ATOM 0 HB2 PRO A 80 1.348 14.939 30.787 1.00 53.45 H new ATOM 0 HB3 PRO A 80 1.661 14.444 32.438 1.00 53.45 H new ATOM 0 HG2 PRO A 80 -0.687 15.974 31.334 1.00 1.20 H new ATOM 0 HG3 PRO A 80 -0.677 14.665 32.499 1.00 1.20 H new ATOM 0 HD2 PRO A 80 -0.912 17.264 33.277 1.00 74.10 H new ATOM 0 HD3 PRO A 80 -0.107 16.077 34.284 1.00 74.10 H new ATOM 1138 N THR A 81 2.992 18.384 30.801 1.00 40.53 N ATOM 1139 CA THR A 81 3.195 19.231 29.631 1.00 32.45 C ATOM 1140 C THR A 81 4.049 18.526 28.584 1.00 24.33 C ATOM 1141 O THR A 81 5.146 18.052 28.882 1.00 45.14 O ATOM 1142 CB THR A 81 3.866 20.564 30.012 1.00 34.24 C ATOM 1143 OG1 THR A 81 3.105 21.221 31.032 1.00 2.03 O ATOM 1144 CG2 THR A 81 3.989 21.473 28.799 1.00 1.43 C ATOM 0 H THR A 81 3.552 18.645 31.613 1.00 40.53 H new ATOM 0 HA THR A 81 2.209 19.436 29.214 1.00 32.45 H new ATOM 0 HB THR A 81 4.866 20.348 30.388 1.00 34.24 H new ATOM 0 HG1 THR A 81 3.539 22.067 31.270 1.00 2.03 H new ATOM 0 HG21 THR A 81 4.466 22.408 29.092 1.00 1.43 H new ATOM 0 HG22 THR A 81 4.593 20.982 28.036 1.00 1.43 H new ATOM 0 HG23 THR A 81 2.997 21.681 28.398 1.00 1.43 H new ATOM 1152 N ILE A 82 3.541 18.460 27.359 1.00 54.54 N ATOM 1153 CA ILE A 82 4.259 17.815 26.267 1.00 22.32 C ATOM 1154 C ILE A 82 5.101 18.822 25.491 1.00 12.01 C ATOM 1155 O ILE A 82 4.573 19.621 24.717 1.00 41.11 O ATOM 1156 CB ILE A 82 3.293 17.112 25.295 1.00 42.42 C ATOM 1157 CG1 ILE A 82 2.143 16.462 26.066 1.00 74.05 C ATOM 1158 CG2 ILE A 82 4.037 16.075 24.467 1.00 75.03 C ATOM 1159 CD1 ILE A 82 2.600 15.463 27.105 1.00 62.53 C ATOM 0 H ILE A 82 2.634 18.846 27.097 1.00 54.54 H new ATOM 0 HA ILE A 82 4.914 17.069 26.718 1.00 22.32 H new ATOM 0 HB ILE A 82 2.875 17.857 24.618 1.00 42.42 H new ATOM 0 HG12 ILE A 82 1.558 17.241 26.555 1.00 74.05 H new ATOM 0 HG13 ILE A 82 1.480 15.962 25.360 1.00 74.05 H new ATOM 0 HG21 ILE A 82 3.341 15.587 23.785 1.00 75.03 H new ATOM 0 HG22 ILE A 82 4.824 16.564 23.893 1.00 75.03 H new ATOM 0 HG23 ILE A 82 4.479 15.330 25.129 1.00 75.03 H new ATOM 0 HD11 ILE A 82 1.732 15.042 27.612 1.00 62.53 H new ATOM 0 HD12 ILE A 82 3.159 14.663 26.620 1.00 62.53 H new ATOM 0 HD13 ILE A 82 3.239 15.962 27.833 1.00 62.53 H new ATOM 1171 N ILE A 83 6.412 18.777 25.702 1.00 32.24 N ATOM 1172 CA ILE A 83 7.327 19.684 25.020 1.00 33.42 C ATOM 1173 C ILE A 83 7.888 19.048 23.753 1.00 72.22 C ATOM 1174 O ILE A 83 8.198 17.857 23.728 1.00 12.24 O ATOM 1175 CB ILE A 83 8.495 20.097 25.934 1.00 3.13 C ATOM 1176 CG1 ILE A 83 7.964 20.687 27.242 1.00 2.32 C ATOM 1177 CG2 ILE A 83 9.396 21.096 25.223 1.00 10.03 C ATOM 1178 CD1 ILE A 83 7.193 21.975 27.055 1.00 74.22 C ATOM 0 H ILE A 83 6.864 18.122 26.340 1.00 32.24 H new ATOM 0 HA ILE A 83 6.753 20.572 24.755 1.00 33.42 H new ATOM 0 HB ILE A 83 9.083 19.210 26.170 1.00 3.13 H new ATOM 0 HG12 ILE A 83 7.319 19.954 27.726 1.00 2.32 H new ATOM 0 HG13 ILE A 83 8.802 20.869 27.916 1.00 2.32 H new ATOM 0 HG21 ILE A 83 10.217 21.379 25.882 1.00 10.03 H new ATOM 0 HG22 ILE A 83 9.797 20.643 24.317 1.00 10.03 H new ATOM 0 HG23 ILE A 83 8.820 21.983 24.961 1.00 10.03 H new ATOM 0 HD11 ILE A 83 6.847 22.336 28.024 1.00 74.22 H new ATOM 0 HD12 ILE A 83 7.841 22.724 26.599 1.00 74.22 H new ATOM 0 HD13 ILE A 83 6.335 21.795 26.407 1.00 74.22 H new ATOM 1190 N ALA A 84 8.017 19.851 22.702 1.00 61.11 N ATOM 1191 CA ALA A 84 8.545 19.368 21.432 1.00 53.02 C ATOM 1192 C ALA A 84 9.853 20.068 21.079 1.00 32.10 C ATOM 1193 O ALA A 84 9.962 21.291 21.177 1.00 34.35 O ATOM 1194 CB ALA A 84 7.521 19.569 20.324 1.00 11.14 C ATOM 0 H ALA A 84 7.763 20.839 22.705 1.00 61.11 H new ATOM 0 HA ALA A 84 8.750 18.302 21.534 1.00 53.02 H new ATOM 0 HB1 ALA A 84 7.929 19.204 19.381 1.00 11.14 H new ATOM 0 HB2 ALA A 84 6.612 19.017 20.564 1.00 11.14 H new ATOM 0 HB3 ALA A 84 7.288 20.630 20.232 1.00 11.14 H new ATOM 1200 N THR A 85 10.846 19.285 20.668 1.00 75.11 N ATOM 1201 CA THR A 85 12.147 19.829 20.302 1.00 1.33 C ATOM 1202 C THR A 85 12.550 19.395 18.898 1.00 52.23 C ATOM 1203 O THR A 85 12.660 18.202 18.614 1.00 51.23 O ATOM 1204 CB THR A 85 13.239 19.390 21.296 1.00 70.10 C ATOM 1205 OG1 THR A 85 12.758 19.514 22.639 1.00 72.20 O ATOM 1206 CG2 THR A 85 14.497 20.228 21.123 1.00 32.22 C ATOM 0 H THR A 85 10.773 18.271 20.580 1.00 75.11 H new ATOM 0 HA THR A 85 12.055 20.915 20.331 1.00 1.33 H new ATOM 0 HB THR A 85 13.485 18.348 21.094 1.00 70.10 H new ATOM 0 HG1 THR A 85 13.458 19.231 23.264 1.00 72.20 H new ATOM 0 HG21 THR A 85 15.254 19.900 21.836 1.00 32.22 H new ATOM 0 HG22 THR A 85 14.877 20.108 20.109 1.00 32.22 H new ATOM 0 HG23 THR A 85 14.262 21.277 21.301 1.00 32.22 H new ATOM 1214 N TYR A 86 12.769 20.370 18.022 1.00 0.15 N ATOM 1215 CA TYR A 86 13.158 20.088 16.646 1.00 42.11 C ATOM 1216 C TYR A 86 13.907 21.270 16.038 1.00 3.25 C ATOM 1217 O TYR A 86 13.308 22.285 15.685 1.00 74.40 O ATOM 1218 CB TYR A 86 11.925 19.763 15.801 1.00 11.24 C ATOM 1219 CG TYR A 86 12.255 19.311 14.397 1.00 72.50 C ATOM 1220 CD1 TYR A 86 12.654 20.223 13.428 1.00 71.11 C ATOM 1221 CD2 TYR A 86 12.167 17.971 14.039 1.00 54.13 C ATOM 1222 CE1 TYR A 86 12.956 19.814 12.143 1.00 13.22 C ATOM 1223 CE2 TYR A 86 12.468 17.553 12.757 1.00 52.20 C ATOM 1224 CZ TYR A 86 12.862 18.478 11.813 1.00 54.42 C ATOM 1225 OH TYR A 86 13.161 18.066 10.534 1.00 2.35 O ATOM 0 H TYR A 86 12.684 21.363 18.241 1.00 0.15 H new ATOM 0 HA TYR A 86 13.823 19.224 16.654 1.00 42.11 H new ATOM 0 HB2 TYR A 86 11.349 18.983 16.299 1.00 11.24 H new ATOM 0 HB3 TYR A 86 11.288 20.646 15.749 1.00 11.24 H new ATOM 0 HD1 TYR A 86 12.729 21.270 13.683 1.00 71.11 H new ATOM 0 HD2 TYR A 86 11.858 17.244 14.776 1.00 54.13 H new ATOM 0 HE1 TYR A 86 13.264 20.536 11.401 1.00 13.22 H new ATOM 0 HE2 TYR A 86 12.395 16.508 12.496 1.00 52.20 H new ATOM 0 HH TYR A 86 13.045 17.095 10.468 1.00 2.35 H new ATOM 1235 N GLY A 87 15.224 21.130 15.920 1.00 3.30 N ATOM 1236 CA GLY A 87 16.035 22.193 15.355 1.00 63.21 C ATOM 1237 C GLY A 87 16.236 23.345 16.320 1.00 71.34 C ATOM 1238 O GLY A 87 16.745 23.157 17.424 1.00 22.43 O ATOM 0 H GLY A 87 15.744 20.300 16.205 1.00 3.30 H new ATOM 0 HA2 GLY A 87 17.006 21.791 15.067 1.00 63.21 H new ATOM 0 HA3 GLY A 87 15.561 22.563 14.446 1.00 63.21 H new ATOM 1242 N SER A 88 15.836 24.541 15.901 1.00 2.42 N ATOM 1243 CA SER A 88 15.980 25.730 16.734 1.00 31.42 C ATOM 1244 C SER A 88 14.628 26.175 17.283 1.00 52.33 C ATOM 1245 O SER A 88 14.534 27.169 18.003 1.00 41.31 O ATOM 1246 CB SER A 88 16.618 26.866 15.933 1.00 53.13 C ATOM 1247 OG SER A 88 17.629 26.376 15.069 1.00 54.11 O ATOM 0 H SER A 88 15.410 24.713 14.990 1.00 2.42 H new ATOM 0 HA SER A 88 16.629 25.479 17.573 1.00 31.42 H new ATOM 0 HB2 SER A 88 15.853 27.378 15.349 1.00 53.13 H new ATOM 0 HB3 SER A 88 17.044 27.602 16.615 1.00 53.13 H new ATOM 0 HG SER A 88 18.020 27.121 14.567 1.00 54.11 H new ATOM 1253 N VAL A 89 13.582 25.432 16.936 1.00 14.11 N ATOM 1254 CA VAL A 89 12.234 25.749 17.394 1.00 71.34 C ATOM 1255 C VAL A 89 11.672 24.630 18.263 1.00 73.40 C ATOM 1256 O VAL A 89 11.920 23.450 18.012 1.00 55.32 O ATOM 1257 CB VAL A 89 11.281 25.991 16.208 1.00 61.31 C ATOM 1258 CG1 VAL A 89 9.872 26.276 16.705 1.00 70.03 C ATOM 1259 CG2 VAL A 89 11.790 27.131 15.340 1.00 44.50 C ATOM 0 H VAL A 89 13.642 24.607 16.340 1.00 14.11 H new ATOM 0 HA VAL A 89 12.307 26.662 17.985 1.00 71.34 H new ATOM 0 HB VAL A 89 11.250 25.088 15.599 1.00 61.31 H new ATOM 0 HG11 VAL A 89 9.213 26.444 15.853 1.00 70.03 H new ATOM 0 HG12 VAL A 89 9.510 25.424 17.281 1.00 70.03 H new ATOM 0 HG13 VAL A 89 9.882 27.164 17.337 1.00 70.03 H new ATOM 0 HG21 VAL A 89 11.105 27.288 14.507 1.00 44.50 H new ATOM 0 HG22 VAL A 89 11.852 28.042 15.935 1.00 44.50 H new ATOM 0 HG23 VAL A 89 12.778 26.881 14.954 1.00 44.50 H new ATOM 1269 N SER A 90 10.913 25.007 19.287 1.00 53.44 N ATOM 1270 CA SER A 90 10.317 24.036 20.196 1.00 21.33 C ATOM 1271 C SER A 90 8.900 24.449 20.581 1.00 52.30 C ATOM 1272 O SER A 90 8.576 25.635 20.619 1.00 0.52 O ATOM 1273 CB SER A 90 11.177 23.889 21.453 1.00 34.33 C ATOM 1274 OG SER A 90 12.190 24.879 21.497 1.00 33.40 O ATOM 0 H SER A 90 10.696 25.979 19.508 1.00 53.44 H new ATOM 0 HA SER A 90 10.269 23.076 19.682 1.00 21.33 H new ATOM 0 HB2 SER A 90 10.548 23.969 22.339 1.00 34.33 H new ATOM 0 HB3 SER A 90 11.631 22.898 21.473 1.00 34.33 H new ATOM 0 HG SER A 90 12.724 24.764 22.310 1.00 33.40 H new ATOM 1280 N GLY A 91 8.058 23.460 20.866 1.00 50.14 N ATOM 1281 CA GLY A 91 6.685 23.740 21.243 1.00 1.25 C ATOM 1282 C GLY A 91 6.339 23.198 22.616 1.00 24.31 C ATOM 1283 O GLY A 91 7.203 22.678 23.321 1.00 64.11 O ATOM 0 H GLY A 91 8.302 22.470 20.842 1.00 50.14 H new ATOM 0 HA2 GLY A 91 6.520 24.817 21.229 1.00 1.25 H new ATOM 0 HA3 GLY A 91 6.012 23.305 20.504 1.00 1.25 H new ATOM 1287 N ASN A 92 5.072 23.320 22.997 1.00 0.31 N ATOM 1288 CA ASN A 92 4.615 22.840 24.296 1.00 54.00 C ATOM 1289 C ASN A 92 3.092 22.750 24.337 1.00 1.45 C ATOM 1290 O ASN A 92 2.393 23.630 23.834 1.00 52.20 O ATOM 1291 CB ASN A 92 5.113 23.764 25.409 1.00 12.01 C ATOM 1292 CG ASN A 92 4.348 25.073 25.459 1.00 24.24 C ATOM 1293 OD1 ASN A 92 3.660 25.365 26.437 1.00 3.44 O ATOM 1294 ND2 ASN A 92 4.466 25.868 24.402 1.00 21.41 N ATOM 0 H ASN A 92 4.343 23.747 22.425 1.00 0.31 H new ATOM 0 HA ASN A 92 5.025 21.842 24.452 1.00 54.00 H new ATOM 0 HB2 ASN A 92 5.020 23.255 26.369 1.00 12.01 H new ATOM 0 HB3 ASN A 92 6.173 23.971 25.259 1.00 12.01 H new ATOM 0 HD21 ASN A 92 3.975 26.762 24.379 1.00 21.41 H new ATOM 0 HD22 ASN A 92 5.048 25.585 23.613 1.00 21.41 H new ATOM 1301 N THR A 93 2.584 21.681 24.942 1.00 72.11 N ATOM 1302 CA THR A 93 1.145 21.475 25.049 1.00 0.22 C ATOM 1303 C THR A 93 0.727 21.261 26.499 1.00 31.33 C ATOM 1304 O THR A 93 1.194 20.332 27.159 1.00 64.22 O ATOM 1305 CB THR A 93 0.686 20.268 24.210 1.00 20.54 C ATOM 1306 OG1 THR A 93 0.960 19.050 24.913 1.00 13.45 O ATOM 1307 CG2 THR A 93 1.387 20.248 22.861 1.00 45.23 C ATOM 0 H THR A 93 3.148 20.944 25.366 1.00 72.11 H new ATOM 0 HA THR A 93 0.667 22.376 24.665 1.00 0.22 H new ATOM 0 HB THR A 93 -0.387 20.358 24.043 1.00 20.54 H new ATOM 0 HG1 THR A 93 0.136 18.526 24.994 1.00 13.45 H new ATOM 0 HG21 THR A 93 1.046 19.386 22.287 1.00 45.23 H new ATOM 0 HG22 THR A 93 1.154 21.163 22.316 1.00 45.23 H new ATOM 0 HG23 THR A 93 2.464 20.181 23.012 1.00 45.23 H new ATOM 1315 N ILE A 94 -0.156 22.124 26.990 1.00 41.24 N ATOM 1316 CA ILE A 94 -0.638 22.027 28.362 1.00 41.13 C ATOM 1317 C ILE A 94 -1.722 20.962 28.489 1.00 11.45 C ATOM 1318 O ILE A 94 -2.650 20.905 27.682 1.00 51.55 O ATOM 1319 CB ILE A 94 -1.196 23.374 28.859 1.00 25.22 C ATOM 1320 CG1 ILE A 94 -2.431 23.770 28.048 1.00 43.11 C ATOM 1321 CG2 ILE A 94 -0.128 24.454 28.771 1.00 40.11 C ATOM 1322 CD1 ILE A 94 -3.002 25.116 28.435 1.00 2.25 C ATOM 0 H ILE A 94 -0.552 22.899 26.458 1.00 41.24 H new ATOM 0 HA ILE A 94 0.217 21.748 28.978 1.00 41.13 H new ATOM 0 HB ILE A 94 -1.490 23.266 29.903 1.00 25.22 H new ATOM 0 HG12 ILE A 94 -2.171 23.785 26.990 1.00 43.11 H new ATOM 0 HG13 ILE A 94 -3.200 23.008 28.176 1.00 43.11 H new ATOM 0 HG21 ILE A 94 -0.537 25.400 29.126 1.00 40.11 H new ATOM 0 HG22 ILE A 94 0.725 24.173 29.389 1.00 40.11 H new ATOM 0 HG23 ILE A 94 0.194 24.563 27.736 1.00 40.11 H new ATOM 0 HD11 ILE A 94 -3.875 25.331 27.819 1.00 2.25 H new ATOM 0 HD12 ILE A 94 -3.294 25.099 29.485 1.00 2.25 H new ATOM 0 HD13 ILE A 94 -2.249 25.889 28.280 1.00 2.25 H new ATOM 1334 N LEU A 95 -1.600 20.121 29.510 1.00 2.02 N ATOM 1335 CA LEU A 95 -2.571 19.058 29.746 1.00 3.11 C ATOM 1336 C LEU A 95 -2.990 19.019 31.212 1.00 22.11 C ATOM 1337 O LEU A 95 -2.153 18.888 32.106 1.00 64.22 O ATOM 1338 CB LEU A 95 -1.986 17.706 29.335 1.00 62.23 C ATOM 1339 CG LEU A 95 -2.745 16.470 29.820 1.00 54.54 C ATOM 1340 CD1 LEU A 95 -4.198 16.528 29.374 1.00 14.54 C ATOM 1341 CD2 LEU A 95 -2.080 15.201 29.310 1.00 63.34 C ATOM 0 H LEU A 95 -0.838 20.154 30.188 1.00 2.02 H new ATOM 0 HA LEU A 95 -3.453 19.265 29.140 1.00 3.11 H new ATOM 0 HB2 LEU A 95 -1.933 17.671 28.247 1.00 62.23 H new ATOM 0 HB3 LEU A 95 -0.963 17.648 29.706 1.00 62.23 H new ATOM 0 HG LEU A 95 -2.720 16.456 30.910 1.00 54.54 H new ATOM 0 HD11 LEU A 95 -4.723 15.641 29.728 1.00 14.54 H new ATOM 0 HD12 LEU A 95 -4.671 17.419 29.788 1.00 14.54 H new ATOM 0 HD13 LEU A 95 -4.243 16.566 28.286 1.00 14.54 H new ATOM 0 HD21 LEU A 95 -2.634 14.332 29.665 1.00 63.34 H new ATOM 0 HD22 LEU A 95 -2.073 15.206 28.220 1.00 63.34 H new ATOM 0 HD23 LEU A 95 -1.055 15.154 29.679 1.00 63.34 H new ATOM 1353 N THR A 96 -4.292 19.131 31.453 1.00 14.32 N ATOM 1354 CA THR A 96 -4.823 19.108 32.810 1.00 34.33 C ATOM 1355 C THR A 96 -5.456 17.758 33.130 1.00 53.33 C ATOM 1356 O THR A 96 -6.519 17.421 32.608 1.00 31.32 O ATOM 1357 CB THR A 96 -5.871 20.217 33.023 1.00 71.41 C ATOM 1358 OG1 THR A 96 -5.565 21.345 32.197 1.00 43.24 O ATOM 1359 CG2 THR A 96 -5.915 20.647 34.481 1.00 35.34 C ATOM 0 H THR A 96 -4.999 19.239 30.726 1.00 14.32 H new ATOM 0 HA THR A 96 -3.982 19.280 33.481 1.00 34.33 H new ATOM 0 HB THR A 96 -6.848 19.820 32.748 1.00 71.41 H new ATOM 0 HG1 THR A 96 -6.136 22.100 32.450 1.00 43.24 H new ATOM 0 HG21 THR A 96 -6.662 21.431 34.607 1.00 35.34 H new ATOM 0 HG22 THR A 96 -6.177 19.792 35.105 1.00 35.34 H new ATOM 0 HG23 THR A 96 -4.937 21.027 34.778 1.00 35.34 H new ATOM 1367 N VAL A 97 -4.797 16.989 33.991 1.00 40.53 N ATOM 1368 CA VAL A 97 -5.297 15.677 34.381 1.00 24.43 C ATOM 1369 C VAL A 97 -5.644 15.640 35.865 1.00 12.12 C ATOM 1370 O VAL A 97 -4.831 16.005 36.713 1.00 42.33 O ATOM 1371 CB VAL A 97 -4.267 14.572 34.079 1.00 20.41 C ATOM 1372 CG1 VAL A 97 -4.268 14.232 32.597 1.00 61.45 C ATOM 1373 CG2 VAL A 97 -2.880 14.997 34.536 1.00 2.11 C ATOM 0 H VAL A 97 -3.916 17.252 34.431 1.00 40.53 H new ATOM 0 HA VAL A 97 -6.198 15.495 33.795 1.00 24.43 H new ATOM 0 HB VAL A 97 -4.548 13.676 34.633 1.00 20.41 H new ATOM 0 HG11 VAL A 97 -3.534 13.450 32.403 1.00 61.45 H new ATOM 0 HG12 VAL A 97 -5.258 13.882 32.305 1.00 61.45 H new ATOM 0 HG13 VAL A 97 -4.012 15.121 32.020 1.00 61.45 H new ATOM 0 HG21 VAL A 97 -2.165 14.204 34.315 1.00 2.11 H new ATOM 0 HG22 VAL A 97 -2.587 15.907 34.012 1.00 2.11 H new ATOM 0 HG23 VAL A 97 -2.892 15.185 35.610 1.00 2.11 H new ATOM 1383 N ASN A 98 -6.859 15.196 36.172 1.00 2.10 N ATOM 1384 CA ASN A 98 -7.315 15.112 37.555 1.00 60.43 C ATOM 1385 C ASN A 98 -7.765 13.694 37.893 1.00 32.33 C ATOM 1386 O ASN A 98 -8.942 13.451 38.161 1.00 53.12 O ATOM 1387 CB ASN A 98 -8.463 16.094 37.796 1.00 45.40 C ATOM 1388 CG ASN A 98 -8.318 17.364 36.979 1.00 73.45 C ATOM 1389 OD1 ASN A 98 -7.797 18.370 37.460 1.00 35.44 O ATOM 1390 ND2 ASN A 98 -8.781 17.322 35.734 1.00 23.44 N ATOM 0 H ASN A 98 -7.545 14.889 35.482 1.00 2.10 H new ATOM 0 HA ASN A 98 -6.479 15.374 38.204 1.00 60.43 H new ATOM 0 HB2 ASN A 98 -9.408 15.612 37.548 1.00 45.40 H new ATOM 0 HB3 ASN A 98 -8.503 16.349 38.855 1.00 45.40 H new ATOM 0 HD21 ASN A 98 -8.712 18.145 35.136 1.00 23.44 H new ATOM 0 HD22 ASN A 98 -9.206 16.466 35.376 1.00 23.44 H new ATOM 1397 N LYS A 99 -6.820 12.760 37.880 1.00 32.13 N ATOM 1398 CA LYS A 99 -7.117 11.366 38.188 1.00 71.24 C ATOM 1399 C LYS A 99 -7.533 11.207 39.646 1.00 33.15 C ATOM 1400 O LYS A 99 -6.689 11.140 40.541 1.00 41.15 O ATOM 1401 CB LYS A 99 -5.899 10.487 37.895 1.00 21.01 C ATOM 1402 CG LYS A 99 -6.168 9.001 38.056 1.00 32.12 C ATOM 1403 CD LYS A 99 -4.876 8.208 38.162 1.00 52.21 C ATOM 1404 CE LYS A 99 -4.973 7.124 39.224 1.00 61.41 C ATOM 1405 NZ LYS A 99 -3.629 6.644 39.651 1.00 13.53 N ATOM 0 H LYS A 99 -5.841 12.943 37.659 1.00 32.13 H new ATOM 0 HA LYS A 99 -7.947 11.049 37.556 1.00 71.24 H new ATOM 0 HB2 LYS A 99 -5.560 10.678 36.877 1.00 21.01 H new ATOM 0 HB3 LYS A 99 -5.085 10.775 38.561 1.00 21.01 H new ATOM 0 HG2 LYS A 99 -6.772 8.834 38.948 1.00 32.12 H new ATOM 0 HG3 LYS A 99 -6.748 8.641 37.206 1.00 32.12 H new ATOM 0 HD2 LYS A 99 -4.646 7.755 37.198 1.00 52.21 H new ATOM 0 HD3 LYS A 99 -4.053 8.881 38.402 1.00 52.21 H new ATOM 0 HE2 LYS A 99 -5.512 7.510 40.089 1.00 61.41 H new ATOM 0 HE3 LYS A 99 -5.552 6.286 38.836 1.00 61.41 H new ATOM 0 HZ1 LYS A 99 -3.649 6.412 40.665 1.00 13.53 H new ATOM 0 HZ2 LYS A 99 -3.374 5.795 39.107 1.00 13.53 H new ATOM 0 HZ3 LYS A 99 -2.924 7.389 39.480 1.00 13.53 H new ATOM 1419 N THR A 100 -8.840 11.146 39.881 1.00 35.51 N ATOM 1420 CA THR A 100 -9.368 10.994 41.231 1.00 14.00 C ATOM 1421 C THR A 100 -9.389 9.529 41.652 1.00 1.12 C ATOM 1422 O THR A 100 -9.036 9.193 42.783 1.00 44.33 O ATOM 1423 CB THR A 100 -10.793 11.569 41.345 1.00 3.21 C ATOM 1424 OG1 THR A 100 -10.899 12.771 40.573 1.00 31.25 O ATOM 1425 CG2 THR A 100 -11.144 11.860 42.796 1.00 35.43 C ATOM 0 H THR A 100 -9.553 11.200 39.153 1.00 35.51 H new ATOM 0 HA THR A 100 -8.705 11.550 41.894 1.00 14.00 H new ATOM 0 HB THR A 100 -11.493 10.827 40.960 1.00 3.21 H new ATOM 0 HG1 THR A 100 -11.808 13.130 40.649 1.00 31.25 H new ATOM 0 HG21 THR A 100 -12.154 12.265 42.852 1.00 35.43 H new ATOM 0 HG22 THR A 100 -11.090 10.938 43.375 1.00 35.43 H new ATOM 0 HG23 THR A 100 -10.439 12.586 43.202 1.00 35.43 H new ATOM 1433 N ASP A 101 -9.804 8.661 40.736 1.00 21.03 N ATOM 1434 CA ASP A 101 -9.869 7.231 41.013 1.00 63.54 C ATOM 1435 C ASP A 101 -8.469 6.627 41.084 1.00 15.15 C ATOM 1436 O ASP A 101 -7.697 6.706 40.129 1.00 50.14 O ATOM 1437 CB ASP A 101 -10.690 6.518 39.937 1.00 50.33 C ATOM 1438 CG ASP A 101 -10.075 6.650 38.557 1.00 31.42 C ATOM 1439 OD1 ASP A 101 -10.182 7.742 37.962 1.00 74.12 O ATOM 1440 OD2 ASP A 101 -9.487 5.660 38.073 1.00 71.14 O ATOM 0 H ASP A 101 -10.100 8.923 39.796 1.00 21.03 H new ATOM 0 HA ASP A 101 -10.354 7.095 41.980 1.00 63.54 H new ATOM 0 HB2 ASP A 101 -10.779 5.462 40.192 1.00 50.33 H new ATOM 0 HB3 ASP A 101 -11.699 6.929 39.923 1.00 50.33 H new ATOM 1445 N THR A 102 -8.148 6.024 42.225 1.00 12.42 N ATOM 1446 CA THR A 102 -6.842 5.410 42.423 1.00 23.32 C ATOM 1447 C THR A 102 -5.731 6.452 42.377 1.00 43.40 C ATOM 1448 O THR A 102 -4.585 6.170 42.728 1.00 62.52 O ATOM 1449 CB THR A 102 -6.562 4.330 41.360 1.00 2.35 C ATOM 1450 OG1 THR A 102 -7.792 3.886 40.778 1.00 70.21 O ATOM 1451 CG2 THR A 102 -5.827 3.147 41.972 1.00 75.42 C ATOM 0 H THR A 102 -8.775 5.948 43.026 1.00 12.42 H new ATOM 0 HA THR A 102 -6.858 4.944 43.408 1.00 23.32 H new ATOM 0 HB THR A 102 -5.932 4.767 40.586 1.00 2.35 H new ATOM 0 HG1 THR A 102 -7.606 3.201 40.102 1.00 70.21 H new ATOM 0 HG21 THR A 102 -5.640 2.397 41.203 1.00 75.42 H new ATOM 0 HG22 THR A 102 -4.878 3.484 42.388 1.00 75.42 H new ATOM 0 HG23 THR A 102 -6.436 2.711 42.764 1.00 75.42 H new TER 1459 THR A 102