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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 THR OG1 : rot 27:sc= 0.453 USER MOD Set 2.1: A 49 SER OG : rot -140:sc= 2.22 USER MOD Set 2.2: A 86 TYR OH : rot 150:sc= -0.177 USER MOD Set 3.1: A 29 SER OG : rot -107:sc= 1.1 USER MOD Set 3.2: A 73 THR OG1 : rot 172:sc= 0.298 USER MOD Set 4.1: A 23 ASN : amide:sc= -2.55 K(o=-3,f=1.3) USER MOD Set 4.2: A 96 THR OG1 : rot -170:sc= -0.438 USER MOD Single : A 1 GLU N :NH3+ 145:sc= 0.0557 (180deg=-0.0795) USER MOD Single : A 2 ASN : amide:sc= 0.416 K(o=0.42,f=-2.7!) USER MOD Single : A 6 THR OG1 : rot 53:sc= 0.0948 USER MOD Single : A 8 SER OG : rot 180:sc= 0 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 180:sc= 0 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= -1.49 K(o=-1.5,f=-0.14) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.15 X(o=-2.2,f=-2.5!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= -0.284 (180deg=-1.29!) USER MOD Single : A 31 GLN : amide:sc= -3.25! C(o=-3.2!,f=-5.5!) USER MOD Single : A 37 THR OG1 : rot 64:sc= 0.205 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -100:sc= 0.0427 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 140:sc= -1.12 USER MOD Single : A 48 SER OG : rot -170:sc= 0.425 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -2.37 K(o=-2.4,f=-7.4!) 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= -1.9 K(o=-1.9,f=-0.21) USER MOD Single : A 66 SER OG : rot -170:sc= -0.126 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0021 USER MOD Single : A 79 ASN : amide:sc= -0.0986 K(o=-0.099,f=-0.97) USER MOD Single : A 81 THR OG1 : 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= -0.0747 X(o=-0.075,f=-0.21) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.808 USER MOD Single : A 98 ASN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00653) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.184 6.510 18.681 1.00 14.14 N ATOM 2 CA GLU A 1 10.620 5.521 17.770 1.00 22.22 C ATOM 3 C GLU A 1 11.544 5.292 16.577 1.00 55.10 C ATOM 4 O GLU A 1 11.843 4.154 16.220 1.00 23.41 O ATOM 5 CB GLU A 1 9.241 5.970 17.283 1.00 1.51 C ATOM 6 CG GLU A 1 8.094 5.432 18.122 1.00 41.23 C ATOM 7 CD GLU A 1 8.223 5.796 19.588 1.00 21.53 C ATOM 8 OE1 GLU A 1 8.512 6.974 19.884 1.00 41.24 O ATOM 9 OE2 GLU A 1 8.035 4.902 20.440 1.00 4.11 O ATOM 0 H1 GLU A 1 10.417 7.076 19.096 1.00 14.14 H new ATOM 0 H2 GLU A 1 11.706 6.026 19.439 1.00 14.14 H new ATOM 0 H3 GLU A 1 11.831 7.134 18.158 1.00 14.14 H new ATOM 0 HA GLU A 1 10.516 4.582 18.313 1.00 22.22 H new ATOM 0 HB2 GLU A 1 9.201 7.059 17.285 1.00 1.51 H new ATOM 0 HB3 GLU A 1 9.107 5.648 16.250 1.00 1.51 H new ATOM 0 HG2 GLU A 1 7.152 5.822 17.736 1.00 41.23 H new ATOM 0 HG3 GLU A 1 8.054 4.347 18.023 1.00 41.23 H new ATOM 16 N ASN A 2 11.990 6.384 15.964 1.00 23.42 N ATOM 17 CA ASN A 2 12.879 6.303 14.810 1.00 35.03 C ATOM 18 C ASN A 2 14.334 6.489 15.230 1.00 55.33 C ATOM 19 O ASN A 2 14.641 7.315 16.090 1.00 30.43 O ATOM 20 CB ASN A 2 12.496 7.359 13.771 1.00 2.24 C ATOM 21 CG ASN A 2 12.392 8.748 14.371 1.00 45.44 C ATOM 22 OD1 ASN A 2 11.525 9.015 15.202 1.00 33.43 O ATOM 23 ND2 ASN A 2 13.280 9.642 13.949 1.00 55.21 N ATOM 0 H ASN A 2 11.751 7.334 16.247 1.00 23.42 H new ATOM 0 HA ASN A 2 12.772 5.312 14.368 1.00 35.03 H new ATOM 0 HB2 ASN A 2 13.238 7.365 12.973 1.00 2.24 H new ATOM 0 HB3 ASN A 2 11.542 7.090 13.317 1.00 2.24 H new ATOM 0 HD21 ASN A 2 13.260 10.593 14.316 1.00 55.21 H new ATOM 0 HD22 ASN A 2 13.982 9.377 13.258 1.00 55.21 H new ATOM 30 N ILE A 3 15.224 5.718 14.616 1.00 71.44 N ATOM 31 CA ILE A 3 16.646 5.799 14.924 1.00 62.00 C ATOM 32 C ILE A 3 17.420 6.447 13.781 1.00 2.43 C ATOM 33 O ILE A 3 18.590 6.138 13.556 1.00 23.31 O ATOM 34 CB ILE A 3 17.241 4.407 15.207 1.00 3.03 C ATOM 35 CG1 ILE A 3 17.007 3.476 14.016 1.00 45.13 C ATOM 36 CG2 ILE A 3 16.635 3.819 16.473 1.00 52.23 C ATOM 37 CD1 ILE A 3 17.854 2.223 14.052 1.00 5.43 C ATOM 0 H ILE A 3 14.986 5.030 13.902 1.00 71.44 H new ATOM 0 HA ILE A 3 16.740 6.414 15.819 1.00 62.00 H new ATOM 0 HB ILE A 3 18.316 4.511 15.356 1.00 3.03 H new ATOM 0 HG12 ILE A 3 15.955 3.193 13.988 1.00 45.13 H new ATOM 0 HG13 ILE A 3 17.215 4.019 13.094 1.00 45.13 H new ATOM 0 HG21 ILE A 3 17.066 2.835 16.660 1.00 52.23 H new ATOM 0 HG22 ILE A 3 16.849 4.475 17.317 1.00 52.23 H new ATOM 0 HG23 ILE A 3 15.556 3.725 16.350 1.00 52.23 H new ATOM 0 HD11 ILE A 3 17.635 1.611 13.177 1.00 5.43 H new ATOM 0 HD12 ILE A 3 18.909 2.497 14.049 1.00 5.43 H new ATOM 0 HD13 ILE A 3 17.629 1.657 14.956 1.00 5.43 H new ATOM 49 N ASP A 4 16.760 7.350 13.064 1.00 71.30 N ATOM 50 CA ASP A 4 17.386 8.045 11.946 1.00 65.03 C ATOM 51 C ASP A 4 17.786 7.062 10.850 1.00 63.12 C ATOM 52 O ASP A 4 18.946 7.015 10.437 1.00 14.15 O ATOM 53 CB ASP A 4 18.614 8.822 12.424 1.00 61.11 C ATOM 54 CG ASP A 4 18.418 9.424 13.801 1.00 30.24 C ATOM 55 OD1 ASP A 4 17.793 10.501 13.894 1.00 22.12 O ATOM 56 OD2 ASP A 4 18.890 8.818 14.787 1.00 51.34 O ATOM 0 H ASP A 4 15.791 7.618 13.237 1.00 71.30 H new ATOM 0 HA ASP A 4 16.660 8.746 11.534 1.00 65.03 H new ATOM 0 HB2 ASP A 4 19.477 8.157 12.441 1.00 61.11 H new ATOM 0 HB3 ASP A 4 18.838 9.616 11.712 1.00 61.11 H new ATOM 61 N ILE A 5 16.820 6.278 10.384 1.00 52.32 N ATOM 62 CA ILE A 5 17.071 5.297 9.336 1.00 25.42 C ATOM 63 C ILE A 5 17.549 5.971 8.054 1.00 23.45 C ATOM 64 O ILE A 5 18.288 5.379 7.266 1.00 2.34 O ATOM 65 CB ILE A 5 15.811 4.467 9.028 1.00 62.15 C ATOM 66 CG1 ILE A 5 14.654 5.386 8.630 1.00 31.34 C ATOM 67 CG2 ILE A 5 15.430 3.615 10.229 1.00 2.43 C ATOM 68 CD1 ILE A 5 13.420 4.640 8.172 1.00 64.13 C ATOM 0 H ILE A 5 15.856 6.303 10.716 1.00 52.32 H new ATOM 0 HA ILE A 5 17.852 4.633 9.707 1.00 25.42 H new ATOM 0 HB ILE A 5 16.027 3.803 8.191 1.00 62.15 H new ATOM 0 HG12 ILE A 5 14.393 6.017 9.480 1.00 31.34 H new ATOM 0 HG13 ILE A 5 14.986 6.049 7.831 1.00 31.34 H new ATOM 0 HG21 ILE A 5 14.538 3.035 9.995 1.00 2.43 H new ATOM 0 HG22 ILE A 5 16.250 2.939 10.470 1.00 2.43 H new ATOM 0 HG23 ILE A 5 15.229 4.261 11.084 1.00 2.43 H new ATOM 0 HD11 ILE A 5 12.641 5.354 7.906 1.00 64.13 H new ATOM 0 HD12 ILE A 5 13.665 4.030 7.303 1.00 64.13 H new ATOM 0 HD13 ILE A 5 13.064 3.998 8.977 1.00 64.13 H new ATOM 80 N THR A 6 17.124 7.214 7.852 1.00 72.21 N ATOM 81 CA THR A 6 17.508 7.970 6.667 1.00 62.55 C ATOM 82 C THR A 6 17.600 9.460 6.971 1.00 50.42 C ATOM 83 O THR A 6 16.605 10.181 6.898 1.00 12.53 O ATOM 84 CB THR A 6 16.510 7.753 5.514 1.00 73.11 C ATOM 85 OG1 THR A 6 15.168 7.812 6.010 1.00 11.24 O ATOM 86 CG2 THR A 6 16.747 6.411 4.838 1.00 53.04 C ATOM 0 H THR A 6 16.513 7.719 8.494 1.00 72.21 H new ATOM 0 HA THR A 6 18.488 7.603 6.363 1.00 62.55 H new ATOM 0 HB THR A 6 16.661 8.544 4.779 1.00 73.11 H new ATOM 0 HG1 THR A 6 15.043 8.640 6.519 1.00 11.24 H new ATOM 0 HG21 THR A 6 16.030 6.280 4.027 1.00 53.04 H new ATOM 0 HG22 THR A 6 17.760 6.380 4.436 1.00 53.04 H new ATOM 0 HG23 THR A 6 16.621 5.610 5.566 1.00 53.04 H new ATOM 94 N VAL A 7 18.801 9.917 7.311 1.00 11.43 N ATOM 95 CA VAL A 7 19.023 11.324 7.625 1.00 71.11 C ATOM 96 C VAL A 7 19.401 12.112 6.376 1.00 0.41 C ATOM 97 O VAL A 7 20.054 11.589 5.473 1.00 13.21 O ATOM 98 CB VAL A 7 20.130 11.495 8.682 1.00 42.23 C ATOM 99 CG1 VAL A 7 21.475 11.055 8.123 1.00 34.30 C ATOM 100 CG2 VAL A 7 20.190 12.938 9.161 1.00 33.44 C ATOM 0 H VAL A 7 19.635 9.334 7.376 1.00 11.43 H new ATOM 0 HA VAL A 7 18.086 11.711 8.026 1.00 71.11 H new ATOM 0 HB VAL A 7 19.893 10.861 9.537 1.00 42.23 H new ATOM 0 HG11 VAL A 7 22.245 11.183 8.884 1.00 34.30 H new ATOM 0 HG12 VAL A 7 21.423 10.006 7.833 1.00 34.30 H new ATOM 0 HG13 VAL A 7 21.722 11.661 7.251 1.00 34.30 H new ATOM 0 HG21 VAL A 7 20.978 13.041 9.908 1.00 33.44 H new ATOM 0 HG22 VAL A 7 20.403 13.593 8.316 1.00 33.44 H new ATOM 0 HG23 VAL A 7 19.233 13.215 9.603 1.00 33.44 H new ATOM 110 N SER A 8 18.987 13.375 6.332 1.00 72.41 N ATOM 111 CA SER A 8 19.279 14.236 5.192 1.00 62.41 C ATOM 112 C SER A 8 20.030 15.488 5.635 1.00 20.41 C ATOM 113 O SER A 8 20.973 15.925 4.976 1.00 14.30 O ATOM 114 CB SER A 8 17.985 14.629 4.478 1.00 13.40 C ATOM 115 OG SER A 8 18.039 14.294 3.102 1.00 35.13 O ATOM 0 H SER A 8 18.448 13.824 7.073 1.00 72.41 H new ATOM 0 HA SER A 8 19.912 13.680 4.501 1.00 62.41 H new ATOM 0 HB2 SER A 8 17.140 14.123 4.946 1.00 13.40 H new ATOM 0 HB3 SER A 8 17.816 15.700 4.588 1.00 13.40 H new ATOM 0 HG SER A 8 17.199 14.554 2.669 1.00 35.13 H new ATOM 121 N ALA A 9 19.604 16.059 6.757 1.00 44.00 N ATOM 122 CA ALA A 9 20.237 17.259 7.290 1.00 14.25 C ATOM 123 C ALA A 9 20.323 18.352 6.230 1.00 33.23 C ATOM 124 O ALA A 9 21.287 19.116 6.190 1.00 73.34 O ATOM 125 CB ALA A 9 21.622 16.932 7.827 1.00 21.33 C ATOM 0 H ALA A 9 18.824 15.710 7.314 1.00 44.00 H new ATOM 0 HA ALA A 9 19.621 17.631 8.109 1.00 14.25 H new ATOM 0 HB1 ALA A 9 22.082 17.838 8.222 1.00 21.33 H new ATOM 0 HB2 ALA A 9 21.538 16.191 8.622 1.00 21.33 H new ATOM 0 HB3 ALA A 9 22.239 16.532 7.022 1.00 21.33 H new ATOM 131 N ALA A 10 19.309 18.420 5.374 1.00 70.35 N ATOM 132 CA ALA A 10 19.270 19.420 4.314 1.00 60.11 C ATOM 133 C ALA A 10 17.869 19.539 3.723 1.00 3.41 C ATOM 134 O ALA A 10 17.707 19.735 2.518 1.00 15.31 O ATOM 135 CB ALA A 10 20.276 19.076 3.226 1.00 63.51 C ATOM 0 H ALA A 10 18.504 17.795 5.394 1.00 70.35 H new ATOM 0 HA ALA A 10 19.536 20.384 4.748 1.00 60.11 H new ATOM 0 HB1 ALA A 10 20.236 19.831 2.441 1.00 63.51 H new ATOM 0 HB2 ALA A 10 21.279 19.049 3.653 1.00 63.51 H new ATOM 0 HB3 ALA A 10 20.036 18.100 2.803 1.00 63.51 H new ATOM 141 N THR A 11 16.859 19.420 4.579 1.00 72.44 N ATOM 142 CA THR A 11 15.472 19.512 4.141 1.00 13.30 C ATOM 143 C THR A 11 14.664 20.419 5.062 1.00 11.14 C ATOM 144 O THR A 11 14.261 21.516 4.674 1.00 45.43 O ATOM 145 CB THR A 11 14.805 18.125 4.091 1.00 75.21 C ATOM 146 OG1 THR A 11 15.597 17.228 3.305 1.00 41.24 O ATOM 147 CG2 THR A 11 13.404 18.219 3.505 1.00 71.32 C ATOM 0 H THR A 11 16.976 19.260 5.580 1.00 72.44 H new ATOM 0 HA THR A 11 15.485 19.937 3.137 1.00 13.30 H new ATOM 0 HB THR A 11 14.731 17.745 5.110 1.00 75.21 H new ATOM 0 HG1 THR A 11 15.167 16.348 3.280 1.00 41.24 H new ATOM 0 HG21 THR A 11 12.953 17.227 3.480 1.00 71.32 H new ATOM 0 HG22 THR A 11 12.795 18.879 4.123 1.00 71.32 H new ATOM 0 HG23 THR A 11 13.459 18.618 2.492 1.00 71.32 H new ATOM 155 N LEU A 12 14.430 19.955 6.285 1.00 41.10 N ATOM 156 CA LEU A 12 13.670 20.725 7.263 1.00 1.43 C ATOM 157 C LEU A 12 14.396 22.019 7.620 1.00 34.24 C ATOM 158 O LEU A 12 15.569 22.002 7.991 1.00 65.15 O ATOM 159 CB LEU A 12 13.435 19.894 8.525 1.00 24.35 C ATOM 160 CG LEU A 12 12.307 18.865 8.451 1.00 35.01 C ATOM 161 CD1 LEU A 12 10.990 19.542 8.104 1.00 34.20 C ATOM 162 CD2 LEU A 12 12.637 17.783 7.433 1.00 10.31 C ATOM 0 H LEU A 12 14.756 19.049 6.623 1.00 41.10 H new ATOM 0 HA LEU A 12 12.708 20.980 6.819 1.00 1.43 H new ATOM 0 HB2 LEU A 12 14.360 19.372 8.770 1.00 24.35 H new ATOM 0 HB3 LEU A 12 13.225 20.575 9.350 1.00 24.35 H new ATOM 0 HG LEU A 12 12.205 18.395 9.429 1.00 35.01 H new ATOM 0 HD11 LEU A 12 10.198 18.794 8.056 1.00 34.20 H new ATOM 0 HD12 LEU A 12 10.747 20.279 8.870 1.00 34.20 H new ATOM 0 HD13 LEU A 12 11.080 20.039 7.138 1.00 34.20 H new ATOM 0 HD21 LEU A 12 11.823 17.059 7.394 1.00 10.31 H new ATOM 0 HD22 LEU A 12 12.767 18.236 6.450 1.00 10.31 H new ATOM 0 HD23 LEU A 12 13.558 17.278 7.725 1.00 10.31 H new ATOM 174 N SER A 13 13.688 23.138 7.509 1.00 50.42 N ATOM 175 CA SER A 13 14.265 24.441 7.818 1.00 11.43 C ATOM 176 C SER A 13 13.629 25.033 9.073 1.00 72.04 C ATOM 177 O SER A 13 14.323 25.537 9.955 1.00 0.13 O ATOM 178 CB SER A 13 14.079 25.398 6.639 1.00 45.01 C ATOM 179 OG SER A 13 15.073 26.409 6.641 1.00 33.30 O ATOM 0 H SER A 13 12.714 23.169 7.207 1.00 50.42 H new ATOM 0 HA SER A 13 15.331 24.304 8.001 1.00 11.43 H new ATOM 0 HB2 SER A 13 14.125 24.841 5.703 1.00 45.01 H new ATOM 0 HB3 SER A 13 13.091 25.855 6.690 1.00 45.01 H new ATOM 0 HG SER A 13 14.933 27.007 5.877 1.00 33.30 H new ATOM 185 N SER A 14 12.303 24.967 9.143 1.00 1.34 N ATOM 186 CA SER A 14 11.571 25.499 10.287 1.00 5.50 C ATOM 187 C SER A 14 10.265 24.740 10.497 1.00 11.31 C ATOM 188 O SER A 14 9.790 24.042 9.601 1.00 34.33 O ATOM 189 CB SER A 14 11.283 26.988 10.087 1.00 53.55 C ATOM 190 OG SER A 14 11.011 27.626 11.322 1.00 11.15 O ATOM 0 H SER A 14 11.714 24.551 8.422 1.00 1.34 H new ATOM 0 HA SER A 14 12.191 25.372 11.175 1.00 5.50 H new ATOM 0 HB2 SER A 14 12.138 27.466 9.608 1.00 53.55 H new ATOM 0 HB3 SER A 14 10.433 27.110 9.416 1.00 53.55 H new ATOM 0 HG SER A 14 10.832 28.577 11.167 1.00 11.15 H new ATOM 196 N ILE A 15 9.690 24.883 11.686 1.00 20.45 N ATOM 197 CA ILE A 15 8.438 24.212 12.015 1.00 63.34 C ATOM 198 C ILE A 15 7.552 25.096 12.885 1.00 50.53 C ATOM 199 O ILE A 15 8.042 25.830 13.743 1.00 13.31 O ATOM 200 CB ILE A 15 8.688 22.879 12.745 1.00 65.14 C ATOM 201 CG1 ILE A 15 9.594 21.975 11.905 1.00 34.34 C ATOM 202 CG2 ILE A 15 7.369 22.184 13.046 1.00 51.14 C ATOM 203 CD1 ILE A 15 8.941 21.479 10.634 1.00 21.10 C ATOM 0 H ILE A 15 10.071 25.457 12.438 1.00 20.45 H new ATOM 0 HA ILE A 15 7.931 24.011 11.071 1.00 63.34 H new ATOM 0 HB ILE A 15 9.190 23.088 13.690 1.00 65.14 H new ATOM 0 HG12 ILE A 15 10.502 22.521 11.648 1.00 34.34 H new ATOM 0 HG13 ILE A 15 9.897 21.118 12.507 1.00 34.34 H new ATOM 0 HG21 ILE A 15 7.563 21.244 13.562 1.00 51.14 H new ATOM 0 HG22 ILE A 15 6.756 22.826 13.679 1.00 51.14 H new ATOM 0 HG23 ILE A 15 6.842 21.984 12.113 1.00 51.14 H new ATOM 0 HD11 ILE A 15 9.640 20.845 10.089 1.00 21.10 H new ATOM 0 HD12 ILE A 15 8.049 20.905 10.884 1.00 21.10 H new ATOM 0 HD13 ILE A 15 8.663 22.330 10.012 1.00 21.10 H new ATOM 215 N SER A 16 6.244 25.020 12.658 1.00 45.31 N ATOM 216 CA SER A 16 5.289 25.816 13.420 1.00 71.32 C ATOM 217 C SER A 16 4.377 24.919 14.252 1.00 41.11 C ATOM 218 O SER A 16 3.810 23.951 13.745 1.00 61.32 O ATOM 219 CB SER A 16 4.450 26.683 12.479 1.00 60.30 C ATOM 220 OG SER A 16 4.752 28.057 12.647 1.00 61.02 O ATOM 0 H SER A 16 5.822 24.416 11.953 1.00 45.31 H new ATOM 0 HA SER A 16 5.849 26.463 14.096 1.00 71.32 H new ATOM 0 HB2 SER A 16 4.637 26.390 11.446 1.00 60.30 H new ATOM 0 HB3 SER A 16 3.391 26.514 12.672 1.00 60.30 H new ATOM 0 HG SER A 16 4.204 28.590 12.033 1.00 61.02 H new ATOM 226 N ILE A 17 4.241 25.249 15.532 1.00 43.12 N ATOM 227 CA ILE A 17 3.398 24.475 16.434 1.00 1.24 C ATOM 228 C ILE A 17 2.403 25.373 17.162 1.00 72.31 C ATOM 229 O ILE A 17 2.724 26.502 17.531 1.00 4.10 O ATOM 230 CB ILE A 17 4.239 23.712 17.474 1.00 21.44 C ATOM 231 CG1 ILE A 17 3.400 22.618 18.137 1.00 35.35 C ATOM 232 CG2 ILE A 17 4.789 24.671 18.519 1.00 13.40 C ATOM 233 CD1 ILE A 17 4.116 21.905 19.263 1.00 60.21 C ATOM 0 H ILE A 17 4.704 26.047 15.967 1.00 43.12 H new ATOM 0 HA ILE A 17 2.855 23.757 15.820 1.00 1.24 H new ATOM 0 HB ILE A 17 5.079 23.241 16.964 1.00 21.44 H new ATOM 0 HG12 ILE A 17 2.482 23.060 18.524 1.00 35.35 H new ATOM 0 HG13 ILE A 17 3.109 21.887 17.382 1.00 35.35 H new ATOM 0 HG21 ILE A 17 5.381 24.116 19.247 1.00 13.40 H new ATOM 0 HG22 ILE A 17 5.418 25.417 18.033 1.00 13.40 H new ATOM 0 HG23 ILE A 17 3.963 25.168 19.027 1.00 13.40 H new ATOM 0 HD11 ILE A 17 3.461 21.143 19.686 1.00 60.21 H new ATOM 0 HD12 ILE A 17 5.020 21.433 18.878 1.00 60.21 H new ATOM 0 HD13 ILE A 17 4.383 22.624 20.037 1.00 60.21 H new ATOM 245 N SER A 18 1.193 24.862 17.366 1.00 30.42 N ATOM 246 CA SER A 18 0.149 25.617 18.048 1.00 0.53 C ATOM 247 C SER A 18 -0.540 24.760 19.105 1.00 32.12 C ATOM 248 O SER A 18 -1.675 24.314 18.936 1.00 32.21 O ATOM 249 CB SER A 18 -0.881 26.130 17.040 1.00 60.43 C ATOM 250 OG SER A 18 -1.554 27.274 17.535 1.00 73.03 O ATOM 0 H SER A 18 0.912 23.928 17.068 1.00 30.42 H new ATOM 0 HA SER A 18 0.616 26.468 18.544 1.00 0.53 H new ATOM 0 HB2 SER A 18 -0.385 26.374 16.101 1.00 60.43 H new ATOM 0 HB3 SER A 18 -1.605 25.344 16.823 1.00 60.43 H new ATOM 0 HG SER A 18 -2.206 27.583 16.871 1.00 73.03 H new ATOM 256 N PRO A 19 0.162 24.523 20.223 1.00 33.24 N ATOM 257 CA PRO A 19 -0.362 23.718 21.331 1.00 61.21 C ATOM 258 C PRO A 19 -1.494 24.420 22.073 1.00 21.33 C ATOM 259 O PRO A 19 -1.713 25.619 21.899 1.00 71.21 O ATOM 260 CB PRO A 19 0.852 23.544 22.248 1.00 73.34 C ATOM 261 CG PRO A 19 1.722 24.716 21.951 1.00 14.20 C ATOM 262 CD PRO A 19 1.520 25.023 20.493 1.00 63.13 C ATOM 0 HA PRO A 19 -0.790 22.777 20.985 1.00 61.21 H new ATOM 0 HB2 PRO A 19 0.556 23.526 23.297 1.00 73.34 H new ATOM 0 HB3 PRO A 19 1.369 22.606 22.046 1.00 73.34 H new ATOM 0 HG2 PRO A 19 1.451 25.570 22.571 1.00 14.20 H new ATOM 0 HG3 PRO A 19 2.767 24.489 22.161 1.00 14.20 H new ATOM 0 HD2 PRO A 19 1.602 26.091 20.292 1.00 63.13 H new ATOM 0 HD3 PRO A 19 2.263 24.524 19.871 1.00 63.13 H new ATOM 270 N ILE A 20 -2.209 23.666 22.901 1.00 31.23 N ATOM 271 CA ILE A 20 -3.317 24.217 23.671 1.00 53.10 C ATOM 272 C ILE A 20 -3.284 23.724 25.114 1.00 44.24 C ATOM 273 O ILE A 20 -3.159 22.527 25.368 1.00 4.24 O ATOM 274 CB ILE A 20 -4.676 23.848 23.046 1.00 64.11 C ATOM 275 CG1 ILE A 20 -5.816 24.512 23.821 1.00 64.03 C ATOM 276 CG2 ILE A 20 -4.854 22.337 23.021 1.00 12.32 C ATOM 277 CD1 ILE A 20 -5.765 26.024 23.793 1.00 23.53 C ATOM 0 H ILE A 20 -2.041 22.672 23.056 1.00 31.23 H new ATOM 0 HA ILE A 20 -3.202 25.301 23.657 1.00 53.10 H new ATOM 0 HB ILE A 20 -4.699 24.214 22.020 1.00 64.11 H new ATOM 0 HG12 ILE A 20 -6.768 24.181 23.406 1.00 64.03 H new ATOM 0 HG13 ILE A 20 -5.785 24.175 24.857 1.00 64.03 H new ATOM 0 HG21 ILE A 20 -5.819 22.092 22.577 1.00 12.32 H new ATOM 0 HG22 ILE A 20 -4.057 21.886 22.430 1.00 12.32 H new ATOM 0 HG23 ILE A 20 -4.814 21.949 24.039 1.00 12.32 H new ATOM 0 HD11 ILE A 20 -6.603 26.427 24.362 1.00 23.53 H new ATOM 0 HD12 ILE A 20 -4.829 26.365 24.235 1.00 23.53 H new ATOM 0 HD13 ILE A 20 -5.827 26.371 22.762 1.00 23.53 H new ATOM 289 N ASN A 21 -3.398 24.656 26.054 1.00 3.14 N ATOM 290 CA ASN A 21 -3.382 24.316 27.473 1.00 44.54 C ATOM 291 C ASN A 21 -4.787 23.995 27.971 1.00 13.10 C ATOM 292 O ASN A 21 -5.607 24.892 28.172 1.00 75.40 O ATOM 293 CB ASN A 21 -2.790 25.469 28.288 1.00 74.44 C ATOM 294 CG ASN A 21 -1.691 26.200 27.542 1.00 70.13 C ATOM 295 OD1 ASN A 21 -1.670 27.430 27.495 1.00 64.13 O ATOM 296 ND2 ASN A 21 -0.771 25.444 26.954 1.00 71.13 N ATOM 0 H ASN A 21 -3.502 25.652 25.860 1.00 3.14 H new ATOM 0 HA ASN A 21 -2.759 23.431 27.603 1.00 44.54 H new ATOM 0 HB2 ASN A 21 -3.582 26.173 28.544 1.00 74.44 H new ATOM 0 HB3 ASN A 21 -2.393 25.081 29.226 1.00 74.44 H new ATOM 0 HD21 ASN A 21 -0.007 25.880 26.437 1.00 71.13 H new ATOM 0 HD22 ASN A 21 -0.828 24.428 27.019 1.00 71.13 H new ATOM 303 N THR A 22 -5.059 22.709 28.170 1.00 54.04 N ATOM 304 CA THR A 22 -6.365 22.268 28.644 1.00 51.42 C ATOM 305 C THR A 22 -6.227 21.304 29.816 1.00 35.21 C ATOM 306 O THR A 22 -5.178 20.690 30.007 1.00 15.33 O ATOM 307 CB THR A 22 -7.169 21.584 27.522 1.00 24.20 C ATOM 308 OG1 THR A 22 -6.705 22.033 26.244 1.00 73.44 O ATOM 309 CG2 THR A 22 -8.654 21.881 27.662 1.00 60.33 C ATOM 0 H THR A 22 -4.392 21.954 28.010 1.00 54.04 H new ATOM 0 HA THR A 22 -6.900 23.159 28.971 1.00 51.42 H new ATOM 0 HB THR A 22 -7.022 20.507 27.604 1.00 24.20 H new ATOM 0 HG1 THR A 22 -7.220 21.592 25.536 1.00 73.44 H new ATOM 0 HG21 THR A 22 -9.201 21.388 26.859 1.00 60.33 H new ATOM 0 HG22 THR A 22 -9.010 21.512 28.624 1.00 60.33 H new ATOM 0 HG23 THR A 22 -8.817 22.957 27.604 1.00 60.33 H new ATOM 317 N ASN A 23 -7.294 21.174 30.598 1.00 12.33 N ATOM 318 CA ASN A 23 -7.292 20.283 31.753 1.00 42.22 C ATOM 319 C ASN A 23 -8.440 19.282 31.669 1.00 22.24 C ATOM 320 O ASN A 23 -9.570 19.644 31.340 1.00 22.22 O ATOM 321 CB ASN A 23 -7.398 21.092 33.047 1.00 34.44 C ATOM 322 CG ASN A 23 -6.596 22.377 32.994 1.00 53.52 C ATOM 323 OD1 ASN A 23 -7.071 23.436 33.406 1.00 70.00 O ATOM 324 ND2 ASN A 23 -5.373 22.291 32.484 1.00 73.22 N ATOM 0 H ASN A 23 -8.171 21.674 30.453 1.00 12.33 H new ATOM 0 HA ASN A 23 -6.352 19.731 31.754 1.00 42.22 H new ATOM 0 HB2 ASN A 23 -8.445 21.328 33.240 1.00 34.44 H new ATOM 0 HB3 ASN A 23 -7.050 20.484 33.882 1.00 34.44 H new ATOM 0 HD21 ASN A 23 -4.787 23.123 32.422 1.00 73.22 H new ATOM 0 HD22 ASN A 23 -5.020 21.393 32.155 1.00 73.22 H new ATOM 331 N ILE A 24 -8.142 18.022 31.970 1.00 0.33 N ATOM 332 CA ILE A 24 -9.149 16.969 31.931 1.00 11.40 C ATOM 333 C ILE A 24 -8.965 15.989 33.084 1.00 23.03 C ATOM 334 O ILE A 24 -7.865 15.840 33.616 1.00 72.03 O ATOM 335 CB ILE A 24 -9.102 16.195 30.601 1.00 71.41 C ATOM 336 CG1 ILE A 24 -9.066 17.167 29.420 1.00 1.01 C ATOM 337 CG2 ILE A 24 -10.298 15.261 30.489 1.00 53.31 C ATOM 338 CD1 ILE A 24 -10.366 17.912 29.211 1.00 63.24 C ATOM 0 H ILE A 24 -7.212 17.706 32.243 1.00 0.33 H new ATOM 0 HA ILE A 24 -10.119 17.457 32.024 1.00 11.40 H new ATOM 0 HB ILE A 24 -8.193 15.594 30.580 1.00 71.41 H new ATOM 0 HG12 ILE A 24 -8.264 17.889 29.578 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -8.823 16.614 28.512 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -10.251 14.721 29.543 1.00 53.31 H new ATOM 0 HG22 ILE A 24 -10.282 14.549 31.315 1.00 53.31 H new ATOM 0 HG23 ILE A 24 -11.219 15.843 30.529 1.00 53.31 H new ATOM 0 HD11 ILE A 24 -10.268 18.583 28.358 1.00 63.24 H new ATOM 0 HD12 ILE A 24 -11.168 17.198 29.021 1.00 63.24 H new ATOM 0 HD13 ILE A 24 -10.600 18.492 30.103 1.00 63.24 H new ATOM 350 N ASN A 25 -10.049 15.321 33.465 1.00 2.12 N ATOM 351 CA ASN A 25 -10.007 14.353 34.555 1.00 25.01 C ATOM 352 C ASN A 25 -10.306 12.947 34.045 1.00 31.54 C ATOM 353 O ASN A 25 -10.657 12.757 32.880 1.00 14.52 O ATOM 354 CB ASN A 25 -11.009 14.737 35.645 1.00 33.21 C ATOM 355 CG ASN A 25 -10.330 15.126 36.944 1.00 35.12 C ATOM 356 OD1 ASN A 25 -10.198 16.309 37.258 1.00 35.15 O ATOM 357 ND2 ASN A 25 -9.896 14.129 37.706 1.00 23.10 N ATOM 0 H ASN A 25 -10.967 15.432 33.035 1.00 2.12 H new ATOM 0 HA ASN A 25 -9.002 14.361 34.977 1.00 25.01 H new ATOM 0 HB2 ASN A 25 -11.621 15.568 35.295 1.00 33.21 H new ATOM 0 HB3 ASN A 25 -11.682 13.899 35.827 1.00 33.21 H new ATOM 0 HD21 ASN A 25 -9.431 14.329 38.592 1.00 23.10 H new ATOM 0 HD22 ASN A 25 -10.027 13.163 37.406 1.00 23.10 H new ATOM 364 N THR A 26 -10.165 11.961 34.927 1.00 53.05 N ATOM 365 CA THR A 26 -10.420 10.572 34.567 1.00 61.13 C ATOM 366 C THR A 26 -9.350 10.045 33.617 1.00 32.00 C ATOM 367 O THR A 26 -8.456 9.302 34.023 1.00 62.24 O ATOM 368 CB THR A 26 -11.802 10.407 33.907 1.00 31.44 C ATOM 369 OG1 THR A 26 -12.803 11.059 34.697 1.00 3.11 O ATOM 370 CG2 THR A 26 -12.154 8.935 33.749 1.00 3.01 C ATOM 0 H THR A 26 -9.876 12.100 35.895 1.00 53.05 H new ATOM 0 HA THR A 26 -10.396 9.996 35.492 1.00 61.13 H new ATOM 0 HB THR A 26 -11.765 10.864 32.918 1.00 31.44 H new ATOM 0 HG1 THR A 26 -13.678 10.951 34.270 1.00 3.11 H new ATOM 0 HG21 THR A 26 -13.134 8.843 33.281 1.00 3.01 H new ATOM 0 HG22 THR A 26 -11.406 8.447 33.124 1.00 3.01 H new ATOM 0 HG23 THR A 26 -12.174 8.459 34.729 1.00 3.01 H new ATOM 378 N THR A 27 -9.447 10.435 32.350 1.00 64.44 N ATOM 379 CA THR A 27 -8.487 10.001 31.342 1.00 54.14 C ATOM 380 C THR A 27 -8.909 10.457 29.949 1.00 4.45 C ATOM 381 O THR A 27 -9.889 9.962 29.393 1.00 43.21 O ATOM 382 CB THR A 27 -8.327 8.469 31.341 1.00 52.13 C ATOM 383 OG1 THR A 27 -7.678 8.045 30.137 1.00 42.10 O ATOM 384 CG2 THR A 27 -9.680 7.783 31.462 1.00 42.53 C ATOM 0 H THR A 27 -10.180 11.050 31.997 1.00 64.44 H new ATOM 0 HA THR A 27 -7.531 10.459 31.598 1.00 54.14 H new ATOM 0 HB THR A 27 -7.717 8.189 32.200 1.00 52.13 H new ATOM 0 HG1 THR A 27 -7.579 7.070 30.145 1.00 42.10 H new ATOM 0 HG21 THR A 27 -9.541 6.702 31.459 1.00 42.53 H new ATOM 0 HG22 THR A 27 -10.159 8.085 32.393 1.00 42.53 H new ATOM 0 HG23 THR A 27 -10.310 8.070 30.620 1.00 42.53 H new ATOM 392 N VAL A 28 -8.162 11.404 29.391 1.00 44.42 N ATOM 393 CA VAL A 28 -8.457 11.926 28.062 1.00 42.51 C ATOM 394 C VAL A 28 -7.189 12.408 27.367 1.00 45.35 C ATOM 395 O VAL A 28 -6.280 12.938 28.007 1.00 72.23 O ATOM 396 CB VAL A 28 -9.466 13.088 28.127 1.00 75.24 C ATOM 397 CG1 VAL A 28 -9.722 13.652 26.737 1.00 24.12 C ATOM 398 CG2 VAL A 28 -10.766 12.628 28.771 1.00 5.53 C ATOM 0 H VAL A 28 -7.348 11.825 29.839 1.00 44.42 H new ATOM 0 HA VAL A 28 -8.893 11.107 27.490 1.00 42.51 H new ATOM 0 HB VAL A 28 -9.041 13.881 28.743 1.00 75.24 H new ATOM 0 HG11 VAL A 28 -10.437 14.472 26.803 1.00 24.12 H new ATOM 0 HG12 VAL A 28 -8.786 14.020 26.316 1.00 24.12 H new ATOM 0 HG13 VAL A 28 -10.126 12.869 26.095 1.00 24.12 H new ATOM 0 HG21 VAL A 28 -11.468 13.461 28.809 1.00 5.53 H new ATOM 0 HG22 VAL A 28 -11.196 11.817 28.183 1.00 5.53 H new ATOM 0 HG23 VAL A 28 -10.566 12.276 29.783 1.00 5.53 H new ATOM 408 N SER A 29 -7.134 12.221 26.052 1.00 43.54 N ATOM 409 CA SER A 29 -5.975 12.634 25.269 1.00 41.24 C ATOM 410 C SER A 29 -6.154 14.054 24.741 1.00 43.51 C ATOM 411 O SER A 29 -7.251 14.449 24.346 1.00 40.51 O ATOM 412 CB SER A 29 -5.751 11.669 24.103 1.00 43.33 C ATOM 413 OG SER A 29 -6.263 10.382 24.400 1.00 14.13 O ATOM 0 H SER A 29 -7.878 11.786 25.507 1.00 43.54 H new ATOM 0 HA SER A 29 -5.102 12.615 25.921 1.00 41.24 H new ATOM 0 HB2 SER A 29 -6.235 12.058 23.207 1.00 43.33 H new ATOM 0 HB3 SER A 29 -4.685 11.598 23.885 1.00 43.33 H new ATOM 0 HG SER A 29 -5.520 9.767 24.574 1.00 14.13 H new ATOM 419 N LYS A 30 -5.067 14.819 24.737 1.00 22.33 N ATOM 420 CA LYS A 30 -5.100 16.195 24.258 1.00 53.24 C ATOM 421 C LYS A 30 -4.629 16.278 22.809 1.00 12.22 C ATOM 422 O LYS A 30 -3.484 15.949 22.500 1.00 13.43 O ATOM 423 CB LYS A 30 -4.225 17.087 25.142 1.00 71.54 C ATOM 424 CG LYS A 30 -5.009 18.127 25.922 1.00 54.21 C ATOM 425 CD LYS A 30 -6.089 17.486 26.777 1.00 31.23 C ATOM 426 CE LYS A 30 -7.476 17.740 26.207 1.00 12.23 C ATOM 427 NZ LYS A 30 -8.262 16.482 26.078 1.00 30.10 N ATOM 0 H LYS A 30 -4.151 14.508 25.061 1.00 22.33 H new ATOM 0 HA LYS A 30 -6.131 16.545 24.308 1.00 53.24 H new ATOM 0 HB2 LYS A 30 -3.673 16.460 25.842 1.00 71.54 H new ATOM 0 HB3 LYS A 30 -3.489 17.593 24.517 1.00 71.54 H new ATOM 0 HG2 LYS A 30 -4.330 18.695 26.558 1.00 54.21 H new ATOM 0 HG3 LYS A 30 -5.464 18.835 25.230 1.00 54.21 H new ATOM 0 HD2 LYS A 30 -5.913 16.412 26.843 1.00 31.23 H new ATOM 0 HD3 LYS A 30 -6.034 17.881 27.791 1.00 31.23 H new ATOM 0 HE2 LYS A 30 -8.011 18.438 26.851 1.00 12.23 H new ATOM 0 HE3 LYS A 30 -7.386 18.214 25.229 1.00 12.23 H new ATOM 0 HZ1 LYS A 30 -9.278 16.703 26.103 1.00 30.10 H new ATOM 0 HZ2 LYS A 30 -8.031 16.019 25.176 1.00 30.10 H new ATOM 0 HZ3 LYS A 30 -8.027 15.844 26.865 1.00 30.10 H new ATOM 441 N GLN A 31 -5.519 16.721 21.927 1.00 71.23 N ATOM 442 CA GLN A 31 -5.193 16.847 20.511 1.00 4.52 C ATOM 443 C GLN A 31 -4.773 18.275 20.175 1.00 74.32 C ATOM 444 O GLN A 31 -5.568 19.209 20.287 1.00 24.21 O ATOM 445 CB GLN A 31 -6.390 16.439 19.651 1.00 21.24 C ATOM 446 CG GLN A 31 -6.106 16.472 18.158 1.00 32.33 C ATOM 447 CD GLN A 31 -4.858 15.697 17.784 1.00 2.24 C ATOM 448 OE1 GLN A 31 -4.918 14.501 17.497 1.00 2.41 O ATOM 449 NE2 GLN A 31 -3.717 16.377 17.786 1.00 62.43 N ATOM 0 H GLN A 31 -6.471 16.998 22.167 1.00 71.23 H new ATOM 0 HA GLN A 31 -4.357 16.181 20.296 1.00 4.52 H new ATOM 0 HB2 GLN A 31 -6.702 15.433 19.931 1.00 21.24 H new ATOM 0 HB3 GLN A 31 -7.226 17.104 19.868 1.00 21.24 H new ATOM 0 HG2 GLN A 31 -6.960 16.060 17.620 1.00 32.33 H new ATOM 0 HG3 GLN A 31 -5.996 17.507 17.836 1.00 32.33 H new ATOM 0 HE21 GLN A 31 -3.714 17.367 18.030 1.00 62.43 H new ATOM 0 HE22 GLN A 31 -2.844 15.909 17.543 1.00 62.43 H new ATOM 458 N PHE A 32 -3.521 18.437 19.762 1.00 23.50 N ATOM 459 CA PHE A 32 -2.995 19.751 19.410 1.00 32.44 C ATOM 460 C PHE A 32 -2.803 19.873 17.902 1.00 43.53 C ATOM 461 O PHE A 32 -3.211 18.998 17.139 1.00 32.40 O ATOM 462 CB PHE A 32 -1.667 20.001 20.128 1.00 60.25 C ATOM 463 CG PHE A 32 -0.493 19.343 19.461 1.00 23.11 C ATOM 464 CD1 PHE A 32 -0.339 17.966 19.500 1.00 50.41 C ATOM 465 CD2 PHE A 32 0.457 20.101 18.795 1.00 21.33 C ATOM 466 CE1 PHE A 32 0.741 17.359 18.888 1.00 21.32 C ATOM 467 CE2 PHE A 32 1.539 19.498 18.181 1.00 1.53 C ATOM 468 CZ PHE A 32 1.681 18.125 18.227 1.00 54.50 C ATOM 0 H PHE A 32 -2.851 17.674 19.663 1.00 23.50 H new ATOM 0 HA PHE A 32 -3.718 20.502 19.728 1.00 32.44 H new ATOM 0 HB2 PHE A 32 -1.489 21.075 20.183 1.00 60.25 H new ATOM 0 HB3 PHE A 32 -1.743 19.638 21.153 1.00 60.25 H new ATOM 0 HD1 PHE A 32 -1.071 17.361 20.014 1.00 50.41 H new ATOM 0 HD2 PHE A 32 0.351 21.175 18.755 1.00 21.33 H new ATOM 0 HE1 PHE A 32 0.850 16.285 18.927 1.00 21.32 H new ATOM 0 HE2 PHE A 32 2.273 20.100 17.666 1.00 1.53 H new ATOM 0 HZ PHE A 32 2.525 17.652 17.747 1.00 54.50 H new ATOM 478 N PHE A 33 -2.178 20.967 17.478 1.00 1.22 N ATOM 479 CA PHE A 33 -1.932 21.207 16.061 1.00 60.21 C ATOM 480 C PHE A 33 -0.435 21.247 15.768 1.00 40.30 C ATOM 481 O PHE A 33 0.343 21.817 16.533 1.00 73.11 O ATOM 482 CB PHE A 33 -2.585 22.520 15.623 1.00 25.31 C ATOM 483 CG PHE A 33 -3.682 22.336 14.614 1.00 44.42 C ATOM 484 CD1 PHE A 33 -4.854 21.682 14.956 1.00 10.43 C ATOM 485 CD2 PHE A 33 -3.540 22.818 13.322 1.00 31.32 C ATOM 486 CE1 PHE A 33 -5.866 21.512 14.030 1.00 2.40 C ATOM 487 CE2 PHE A 33 -4.549 22.651 12.392 1.00 45.02 C ATOM 488 CZ PHE A 33 -5.712 21.996 12.746 1.00 52.52 C ATOM 0 H PHE A 33 -1.833 21.701 18.096 1.00 1.22 H new ATOM 0 HA PHE A 33 -2.373 20.385 15.497 1.00 60.21 H new ATOM 0 HB2 PHE A 33 -2.990 23.026 16.500 1.00 25.31 H new ATOM 0 HB3 PHE A 33 -1.821 23.174 15.202 1.00 25.31 H new ATOM 0 HD1 PHE A 33 -4.979 21.300 15.959 1.00 10.43 H new ATOM 0 HD2 PHE A 33 -2.632 23.329 13.039 1.00 31.32 H new ATOM 0 HE1 PHE A 33 -6.776 21.002 14.310 1.00 2.40 H new ATOM 0 HE2 PHE A 33 -4.428 23.033 11.389 1.00 45.02 H new ATOM 0 HZ PHE A 33 -6.500 21.862 12.020 1.00 52.52 H new ATOM 498 N ALA A 34 -0.039 20.638 14.655 1.00 12.11 N ATOM 499 CA ALA A 34 1.363 20.605 14.260 1.00 43.34 C ATOM 500 C ALA A 34 1.513 20.792 12.754 1.00 64.34 C ATOM 501 O ALA A 34 0.934 20.045 11.965 1.00 54.54 O ATOM 502 CB ALA A 34 2.005 19.297 14.698 1.00 52.10 C ATOM 0 H ALA A 34 -0.670 20.161 14.011 1.00 12.11 H new ATOM 0 HA ALA A 34 1.874 21.431 14.755 1.00 43.34 H new ATOM 0 HB1 ALA A 34 3.052 19.287 14.396 1.00 52.10 H new ATOM 0 HB2 ALA A 34 1.939 19.204 15.782 1.00 52.10 H new ATOM 0 HB3 ALA A 34 1.484 18.462 14.230 1.00 52.10 H new ATOM 508 N VAL A 35 2.295 21.793 12.361 1.00 71.22 N ATOM 509 CA VAL A 35 2.522 22.077 10.949 1.00 55.11 C ATOM 510 C VAL A 35 4.010 22.199 10.645 1.00 65.52 C ATOM 511 O VAL A 35 4.752 22.855 11.375 1.00 63.25 O ATOM 512 CB VAL A 35 1.813 23.375 10.517 1.00 60.31 C ATOM 513 CG1 VAL A 35 0.303 23.202 10.570 1.00 73.44 C ATOM 514 CG2 VAL A 35 2.255 24.539 11.390 1.00 24.14 C ATOM 0 H VAL A 35 2.782 22.421 13.001 1.00 71.22 H new ATOM 0 HA VAL A 35 2.107 21.240 10.387 1.00 55.11 H new ATOM 0 HB VAL A 35 2.093 23.596 9.487 1.00 60.31 H new ATOM 0 HG11 VAL A 35 -0.180 24.129 10.262 1.00 73.44 H new ATOM 0 HG12 VAL A 35 0.005 22.397 9.899 1.00 73.44 H new ATOM 0 HG13 VAL A 35 0.000 22.956 11.588 1.00 73.44 H new ATOM 0 HG21 VAL A 35 1.744 25.448 11.071 1.00 24.14 H new ATOM 0 HG22 VAL A 35 2.006 24.329 12.430 1.00 24.14 H new ATOM 0 HG23 VAL A 35 3.332 24.676 11.296 1.00 24.14 H new ATOM 524 N GLY A 36 4.442 21.561 9.561 1.00 73.23 N ATOM 525 CA GLY A 36 5.841 21.610 9.178 1.00 13.13 C ATOM 526 C GLY A 36 6.060 22.354 7.876 1.00 50.10 C ATOM 527 O GLY A 36 5.296 22.193 6.923 1.00 1.44 O ATOM 0 H GLY A 36 3.847 21.011 8.941 1.00 73.23 H new ATOM 0 HA2 GLY A 36 6.414 22.093 9.969 1.00 13.13 H new ATOM 0 HA3 GLY A 36 6.224 20.594 9.081 1.00 13.13 H new ATOM 531 N THR A 37 7.106 23.173 7.833 1.00 2.40 N ATOM 532 CA THR A 37 7.422 23.947 6.639 1.00 3.43 C ATOM 533 C THR A 37 8.741 23.494 6.023 1.00 74.41 C ATOM 534 O THR A 37 9.803 23.639 6.628 1.00 12.14 O ATOM 535 CB THR A 37 7.506 25.453 6.952 1.00 4.31 C ATOM 536 OG1 THR A 37 7.424 25.665 8.366 1.00 41.31 O ATOM 537 CG2 THR A 37 6.389 26.214 6.254 1.00 1.22 C ATOM 0 H THR A 37 7.749 23.317 8.612 1.00 2.40 H new ATOM 0 HA THR A 37 6.614 23.775 5.928 1.00 3.43 H new ATOM 0 HB THR A 37 8.462 25.825 6.584 1.00 4.31 H new ATOM 0 HG1 THR A 37 8.199 25.255 8.804 1.00 41.31 H new ATOM 0 HG21 THR A 37 6.469 27.275 6.490 1.00 1.22 H new ATOM 0 HG22 THR A 37 6.472 26.075 5.176 1.00 1.22 H new ATOM 0 HG23 THR A 37 5.424 25.838 6.595 1.00 1.22 H new ATOM 545 N TYR A 38 8.666 22.944 4.816 1.00 54.21 N ATOM 546 CA TYR A 38 9.854 22.467 4.118 1.00 12.40 C ATOM 547 C TYR A 38 10.636 23.631 3.516 1.00 75.12 C ATOM 548 O TYR A 38 10.055 24.627 3.084 1.00 75.50 O ATOM 549 CB TYR A 38 9.463 21.478 3.019 1.00 53.00 C ATOM 550 CG TYR A 38 9.366 20.047 3.499 1.00 42.45 C ATOM 551 CD1 TYR A 38 8.740 19.737 4.699 1.00 20.13 C ATOM 552 CD2 TYR A 38 9.901 19.006 2.750 1.00 75.30 C ATOM 553 CE1 TYR A 38 8.650 18.431 5.141 1.00 3.34 C ATOM 554 CE2 TYR A 38 9.814 17.697 3.184 1.00 62.13 C ATOM 555 CZ TYR A 38 9.189 17.415 4.380 1.00 34.12 C ATOM 556 OH TYR A 38 9.100 16.113 4.816 1.00 21.25 O ATOM 0 H TYR A 38 7.795 22.817 4.301 1.00 54.21 H new ATOM 0 HA TYR A 38 10.491 21.961 4.843 1.00 12.40 H new ATOM 0 HB2 TYR A 38 8.503 21.777 2.597 1.00 53.00 H new ATOM 0 HB3 TYR A 38 10.196 21.534 2.214 1.00 53.00 H new ATOM 0 HD1 TYR A 38 8.316 20.530 5.297 1.00 20.13 H new ATOM 0 HD2 TYR A 38 10.393 19.224 1.813 1.00 75.30 H new ATOM 0 HE1 TYR A 38 8.160 18.207 6.077 1.00 3.34 H new ATOM 0 HE2 TYR A 38 10.233 16.899 2.589 1.00 62.13 H new ATOM 0 HH TYR A 38 9.528 15.520 4.164 1.00 21.25 H new ATOM 566 N SER A 39 11.958 23.497 3.490 1.00 33.33 N ATOM 567 CA SER A 39 12.821 24.537 2.944 1.00 2.12 C ATOM 568 C SER A 39 12.493 24.802 1.478 1.00 33.30 C ATOM 569 O SER A 39 12.814 25.862 0.940 1.00 73.50 O ATOM 570 CB SER A 39 14.291 24.136 3.085 1.00 72.41 C ATOM 571 OG SER A 39 14.646 23.155 2.125 1.00 14.13 O ATOM 0 H SER A 39 12.455 22.678 3.841 1.00 33.33 H new ATOM 0 HA SER A 39 12.646 25.453 3.509 1.00 2.12 H new ATOM 0 HB2 SER A 39 14.924 25.015 2.963 1.00 72.41 H new ATOM 0 HB3 SER A 39 14.471 23.750 4.088 1.00 72.41 H new ATOM 0 HG SER A 39 14.648 22.270 2.547 1.00 14.13 H new ATOM 577 N ASP A 40 11.851 23.831 0.838 1.00 71.32 N ATOM 578 CA ASP A 40 11.477 23.957 -0.566 1.00 41.51 C ATOM 579 C ASP A 40 10.364 24.986 -0.741 1.00 72.43 C ATOM 580 O ASP A 40 10.043 25.383 -1.860 1.00 52.43 O ATOM 581 CB ASP A 40 11.030 22.604 -1.121 1.00 44.12 C ATOM 582 CG ASP A 40 12.099 21.946 -1.972 1.00 31.02 C ATOM 583 OD1 ASP A 40 13.229 21.769 -1.472 1.00 21.13 O ATOM 584 OD2 ASP A 40 11.805 21.609 -3.138 1.00 61.30 O ATOM 0 H ASP A 40 11.579 22.948 1.269 1.00 71.32 H new ATOM 0 HA ASP A 40 12.352 24.296 -1.121 1.00 41.51 H new ATOM 0 HB2 ASP A 40 10.770 21.943 -0.294 1.00 44.12 H new ATOM 0 HB3 ASP A 40 10.127 22.739 -1.717 1.00 44.12 H new ATOM 589 N GLY A 41 9.777 25.411 0.374 1.00 44.45 N ATOM 590 CA GLY A 41 8.706 26.388 0.321 1.00 15.43 C ATOM 591 C GLY A 41 7.333 25.745 0.350 1.00 41.52 C ATOM 592 O GLY A 41 6.442 26.131 -0.408 1.00 11.13 O ATOM 0 H GLY A 41 10.024 25.096 1.312 1.00 44.45 H new ATOM 0 HA2 GLY A 41 8.801 27.073 1.164 1.00 15.43 H new ATOM 0 HA3 GLY A 41 8.806 26.983 -0.587 1.00 15.43 H new ATOM 596 N THR A 42 7.161 24.760 1.225 1.00 31.04 N ATOM 597 CA THR A 42 5.889 24.060 1.348 1.00 74.12 C ATOM 598 C THR A 42 5.447 23.972 2.804 1.00 25.33 C ATOM 599 O THR A 42 6.215 24.279 3.716 1.00 3.23 O ATOM 600 CB THR A 42 5.971 22.638 0.761 1.00 11.11 C ATOM 601 OG1 THR A 42 7.108 22.530 -0.102 1.00 70.54 O ATOM 602 CG2 THR A 42 4.706 22.298 -0.012 1.00 60.33 C ATOM 0 H THR A 42 7.888 24.429 1.860 1.00 31.04 H new ATOM 0 HA THR A 42 5.156 24.636 0.784 1.00 74.12 H new ATOM 0 HB THR A 42 6.073 21.933 1.586 1.00 11.11 H new ATOM 0 HG1 THR A 42 7.154 21.623 -0.470 1.00 70.54 H new ATOM 0 HG21 THR A 42 4.787 21.289 -0.417 1.00 60.33 H new ATOM 0 HG22 THR A 42 3.846 22.353 0.655 1.00 60.33 H new ATOM 0 HG23 THR A 42 4.577 23.008 -0.829 1.00 60.33 H new ATOM 610 N LYS A 43 4.206 23.549 3.017 1.00 31.00 N ATOM 611 CA LYS A 43 3.662 23.418 4.363 1.00 31.34 C ATOM 612 C LYS A 43 2.661 22.269 4.436 1.00 22.14 C ATOM 613 O LYS A 43 1.761 22.164 3.604 1.00 61.32 O ATOM 614 CB LYS A 43 2.988 24.723 4.793 1.00 62.00 C ATOM 615 CG LYS A 43 2.773 24.832 6.293 1.00 60.54 C ATOM 616 CD LYS A 43 1.295 24.893 6.641 1.00 62.11 C ATOM 617 CE LYS A 43 0.786 26.326 6.658 1.00 74.23 C ATOM 618 NZ LYS A 43 -0.559 26.444 6.029 1.00 72.40 N ATOM 0 H LYS A 43 3.557 23.291 2.274 1.00 31.00 H new ATOM 0 HA LYS A 43 4.487 23.202 5.041 1.00 31.34 H new ATOM 0 HB2 LYS A 43 3.597 25.563 4.460 1.00 62.00 H new ATOM 0 HB3 LYS A 43 2.025 24.808 4.289 1.00 62.00 H new ATOM 0 HG2 LYS A 43 3.230 23.976 6.790 1.00 60.54 H new ATOM 0 HG3 LYS A 43 3.274 25.724 6.669 1.00 60.54 H new ATOM 0 HD2 LYS A 43 0.725 24.312 5.916 1.00 62.11 H new ATOM 0 HD3 LYS A 43 1.130 24.436 7.617 1.00 62.11 H new ATOM 0 HE2 LYS A 43 0.738 26.682 7.687 1.00 74.23 H new ATOM 0 HE3 LYS A 43 1.491 26.968 6.131 1.00 74.23 H new ATOM 0 HZ1 LYS A 43 -0.871 27.436 6.060 1.00 72.40 H new ATOM 0 HZ2 LYS A 43 -0.508 26.128 5.039 1.00 72.40 H new ATOM 0 HZ3 LYS A 43 -1.238 25.851 6.548 1.00 72.40 H new ATOM 632 N ALA A 44 2.824 21.411 5.438 1.00 21.11 N ATOM 633 CA ALA A 44 1.933 20.272 5.621 1.00 13.23 C ATOM 634 C ALA A 44 1.927 19.808 7.074 1.00 61.53 C ATOM 635 O ALA A 44 2.973 19.748 7.721 1.00 51.45 O ATOM 636 CB ALA A 44 2.339 19.131 4.701 1.00 22.54 C ATOM 0 H ALA A 44 3.565 21.483 6.135 1.00 21.11 H new ATOM 0 HA ALA A 44 0.922 20.588 5.364 1.00 13.23 H new ATOM 0 HB1 ALA A 44 1.665 18.287 4.849 1.00 22.54 H new ATOM 0 HB2 ALA A 44 2.284 19.462 3.664 1.00 22.54 H new ATOM 0 HB3 ALA A 44 3.360 18.824 4.930 1.00 22.54 H new ATOM 642 N ASP A 45 0.744 19.480 7.580 1.00 33.53 N ATOM 643 CA ASP A 45 0.602 19.020 8.957 1.00 62.41 C ATOM 644 C ASP A 45 1.271 17.662 9.148 1.00 73.45 C ATOM 645 O ASP A 45 0.707 16.625 8.793 1.00 4.11 O ATOM 646 CB ASP A 45 -0.876 18.932 9.339 1.00 53.15 C ATOM 647 CG ASP A 45 -1.568 20.280 9.290 1.00 44.55 C ATOM 648 OD1 ASP A 45 -1.534 20.926 8.221 1.00 23.40 O ATOM 649 OD2 ASP A 45 -2.142 20.691 10.320 1.00 42.10 O ATOM 0 H ASP A 45 -0.131 19.524 7.058 1.00 33.53 H new ATOM 0 HA ASP A 45 1.095 19.743 9.607 1.00 62.41 H new ATOM 0 HB2 ASP A 45 -1.382 18.242 8.664 1.00 53.15 H new ATOM 0 HB3 ASP A 45 -0.965 18.518 10.343 1.00 53.15 H new ATOM 654 N LEU A 46 2.475 17.674 9.708 1.00 11.42 N ATOM 655 CA LEU A 46 3.222 16.444 9.945 1.00 34.23 C ATOM 656 C LEU A 46 3.628 16.327 11.411 1.00 75.10 C ATOM 657 O LEU A 46 4.285 17.213 11.958 1.00 40.34 O ATOM 658 CB LEU A 46 4.465 16.399 9.055 1.00 74.31 C ATOM 659 CG LEU A 46 4.245 16.730 7.578 1.00 30.23 C ATOM 660 CD1 LEU A 46 5.539 17.212 6.941 1.00 11.23 C ATOM 661 CD2 LEU A 46 3.702 15.518 6.835 1.00 12.11 C ATOM 0 H LEU A 46 2.955 18.523 10.007 1.00 11.42 H new ATOM 0 HA LEU A 46 2.575 15.602 9.698 1.00 34.23 H new ATOM 0 HB2 LEU A 46 5.201 17.095 9.457 1.00 74.31 H new ATOM 0 HB3 LEU A 46 4.900 15.402 9.122 1.00 74.31 H new ATOM 0 HG LEU A 46 3.510 17.532 7.511 1.00 30.23 H new ATOM 0 HD11 LEU A 46 5.363 17.443 5.890 1.00 11.23 H new ATOM 0 HD12 LEU A 46 5.887 18.108 7.456 1.00 11.23 H new ATOM 0 HD13 LEU A 46 6.296 16.432 7.019 1.00 11.23 H new ATOM 0 HD21 LEU A 46 3.552 15.772 5.786 1.00 12.11 H new ATOM 0 HD22 LEU A 46 4.414 14.696 6.911 1.00 12.11 H new ATOM 0 HD23 LEU A 46 2.751 15.217 7.275 1.00 12.11 H new ATOM 673 N THR A 47 3.233 15.226 12.043 1.00 21.20 N ATOM 674 CA THR A 47 3.556 14.992 13.445 1.00 63.22 C ATOM 675 C THR A 47 4.429 13.753 13.608 1.00 5.13 C ATOM 676 O THR A 47 5.249 13.676 14.524 1.00 74.21 O ATOM 677 CB THR A 47 2.283 14.824 14.295 1.00 54.05 C ATOM 678 OG1 THR A 47 1.190 14.414 13.464 1.00 3.04 O ATOM 679 CG2 THR A 47 1.929 16.124 15.002 1.00 72.43 C ATOM 0 H THR A 47 2.689 14.482 11.606 1.00 21.20 H new ATOM 0 HA THR A 47 4.103 15.868 13.794 1.00 63.22 H new ATOM 0 HB THR A 47 2.473 14.059 15.048 1.00 54.05 H new ATOM 0 HG1 THR A 47 0.655 13.742 13.935 1.00 3.04 H new ATOM 0 HG21 THR A 47 1.026 15.981 15.596 1.00 72.43 H new ATOM 0 HG22 THR A 47 2.751 16.418 15.655 1.00 72.43 H new ATOM 0 HG23 THR A 47 1.756 16.905 14.262 1.00 72.43 H new ATOM 687 N SER A 48 4.250 12.786 12.715 1.00 74.34 N ATOM 688 CA SER A 48 5.020 11.548 12.762 1.00 14.32 C ATOM 689 C SER A 48 6.514 11.834 12.647 1.00 71.53 C ATOM 690 O SER A 48 7.346 11.001 13.008 1.00 13.33 O ATOM 691 CB SER A 48 4.580 10.606 11.640 1.00 45.14 C ATOM 692 OG SER A 48 5.552 9.600 11.409 1.00 52.53 O ATOM 0 H SER A 48 3.578 12.835 11.949 1.00 74.34 H new ATOM 0 HA SER A 48 4.833 11.068 13.723 1.00 14.32 H new ATOM 0 HB2 SER A 48 3.628 10.144 11.901 1.00 45.14 H new ATOM 0 HB3 SER A 48 4.417 11.176 10.725 1.00 45.14 H new ATOM 0 HG SER A 48 5.326 9.109 10.592 1.00 52.53 H new ATOM 698 N SER A 49 6.847 13.016 12.140 1.00 53.42 N ATOM 699 CA SER A 49 8.240 13.411 11.972 1.00 4.54 C ATOM 700 C SER A 49 8.834 13.883 13.296 1.00 2.03 C ATOM 701 O SER A 49 9.956 13.521 13.651 1.00 44.45 O ATOM 702 CB SER A 49 8.356 14.521 10.925 1.00 72.51 C ATOM 703 OG SER A 49 9.480 14.316 10.087 1.00 5.04 O ATOM 0 H SER A 49 6.171 13.717 11.838 1.00 53.42 H new ATOM 0 HA SER A 49 8.800 12.540 11.631 1.00 4.54 H new ATOM 0 HB2 SER A 49 7.449 14.552 10.321 1.00 72.51 H new ATOM 0 HB3 SER A 49 8.441 15.487 11.423 1.00 72.51 H new ATOM 0 HG SER A 49 9.912 15.176 9.903 1.00 5.04 H new ATOM 709 N VAL A 50 8.072 14.693 14.024 1.00 3.51 N ATOM 710 CA VAL A 50 8.521 15.215 15.310 1.00 60.23 C ATOM 711 C VAL A 50 8.476 14.136 16.386 1.00 63.00 C ATOM 712 O VAL A 50 7.563 13.311 16.417 1.00 34.10 O ATOM 713 CB VAL A 50 7.662 16.411 15.761 1.00 31.21 C ATOM 714 CG1 VAL A 50 6.197 16.012 15.852 1.00 72.01 C ATOM 715 CG2 VAL A 50 8.159 16.951 17.093 1.00 25.13 C ATOM 0 H VAL A 50 7.141 15.002 13.745 1.00 3.51 H new ATOM 0 HA VAL A 50 9.550 15.547 15.175 1.00 60.23 H new ATOM 0 HB VAL A 50 7.753 17.202 15.017 1.00 31.21 H new ATOM 0 HG11 VAL A 50 5.605 16.870 16.172 1.00 72.01 H new ATOM 0 HG12 VAL A 50 5.850 15.676 14.875 1.00 72.01 H new ATOM 0 HG13 VAL A 50 6.084 15.204 16.574 1.00 72.01 H new ATOM 0 HG21 VAL A 50 7.541 17.796 17.397 1.00 25.13 H new ATOM 0 HG22 VAL A 50 8.099 16.167 17.848 1.00 25.13 H new ATOM 0 HG23 VAL A 50 9.194 17.277 16.990 1.00 25.13 H new ATOM 725 N THR A 51 9.470 14.148 17.269 1.00 33.45 N ATOM 726 CA THR A 51 9.545 13.170 18.348 1.00 51.11 C ATOM 727 C THR A 51 8.956 13.729 19.638 1.00 20.42 C ATOM 728 O THR A 51 9.180 14.889 19.982 1.00 11.22 O ATOM 729 CB THR A 51 10.998 12.731 18.608 1.00 4.40 C ATOM 730 OG1 THR A 51 11.801 12.983 17.449 1.00 31.30 O ATOM 731 CG2 THR A 51 11.062 11.254 18.965 1.00 60.15 C ATOM 0 H THR A 51 10.234 14.824 17.258 1.00 33.45 H new ATOM 0 HA THR A 51 8.963 12.304 18.031 1.00 51.11 H new ATOM 0 HB THR A 51 11.383 13.308 19.449 1.00 4.40 H new ATOM 0 HG1 THR A 51 12.724 12.703 17.623 1.00 31.30 H new ATOM 0 HG21 THR A 51 12.098 10.968 19.144 1.00 60.15 H new ATOM 0 HG22 THR A 51 10.474 11.071 19.865 1.00 60.15 H new ATOM 0 HG23 THR A 51 10.659 10.663 18.142 1.00 60.15 H new ATOM 739 N TRP A 52 8.204 12.896 20.348 1.00 34.02 N ATOM 740 CA TRP A 52 7.583 13.308 21.602 1.00 32.43 C ATOM 741 C TRP A 52 8.310 12.698 22.796 1.00 42.05 C ATOM 742 O TRP A 52 8.642 11.512 22.793 1.00 55.52 O ATOM 743 CB TRP A 52 6.109 12.898 21.624 1.00 2.41 C ATOM 744 CG TRP A 52 5.285 13.592 20.582 1.00 14.14 C ATOM 745 CD1 TRP A 52 4.762 14.852 20.656 1.00 71.42 C ATOM 746 CD2 TRP A 52 4.887 13.064 19.313 1.00 72.25 C ATOM 747 NE1 TRP A 52 4.063 15.138 19.508 1.00 40.21 N ATOM 748 CE2 TRP A 52 4.125 14.058 18.668 1.00 43.13 C ATOM 749 CE3 TRP A 52 5.101 11.849 18.657 1.00 65.35 C ATOM 750 CZ2 TRP A 52 3.578 13.872 17.401 1.00 64.21 C ATOM 751 CZ3 TRP A 52 4.558 11.665 17.399 1.00 13.34 C ATOM 752 CH2 TRP A 52 3.804 12.673 16.782 1.00 63.51 C ATOM 0 H TRP A 52 8.009 11.932 20.077 1.00 34.02 H new ATOM 0 HA TRP A 52 7.653 14.393 21.673 1.00 32.43 H new ATOM 0 HB2 TRP A 52 6.037 11.820 21.476 1.00 2.41 H new ATOM 0 HB3 TRP A 52 5.694 13.113 22.609 1.00 2.41 H new ATOM 0 HD1 TRP A 52 4.880 15.524 21.493 1.00 71.42 H new ATOM 0 HE1 TRP A 52 3.577 16.013 19.313 1.00 40.21 H new ATOM 0 HE3 TRP A 52 5.681 11.067 19.125 1.00 65.35 H new ATOM 0 HZ2 TRP A 52 2.996 14.647 16.924 1.00 64.21 H new ATOM 0 HZ3 TRP A 52 4.717 10.730 16.883 1.00 13.34 H new ATOM 0 HH2 TRP A 52 3.393 12.500 15.798 1.00 63.51 H new ATOM 763 N SER A 53 8.556 13.516 23.814 1.00 34.44 N ATOM 764 CA SER A 53 9.247 13.057 25.013 1.00 24.22 C ATOM 765 C SER A 53 8.680 13.730 26.259 1.00 10.02 C ATOM 766 O SER A 53 8.621 14.957 26.343 1.00 24.32 O ATOM 767 CB SER A 53 10.746 13.342 24.903 1.00 5.14 C ATOM 768 OG SER A 53 11.485 12.141 24.757 1.00 12.44 O ATOM 0 H SER A 53 8.287 14.500 23.833 1.00 34.44 H new ATOM 0 HA SER A 53 9.094 11.981 25.101 1.00 24.22 H new ATOM 0 HB2 SER A 53 10.934 13.994 24.050 1.00 5.14 H new ATOM 0 HB3 SER A 53 11.084 13.875 25.792 1.00 5.14 H new ATOM 0 HG SER A 53 12.440 12.351 24.687 1.00 12.44 H new ATOM 774 N SER A 54 8.263 12.918 27.225 1.00 31.21 N ATOM 775 CA SER A 54 7.696 13.433 28.466 1.00 41.32 C ATOM 776 C SER A 54 8.525 12.989 29.667 1.00 12.24 C ATOM 777 O SER A 54 9.203 11.963 29.622 1.00 21.04 O ATOM 778 CB SER A 54 6.250 12.960 28.626 1.00 22.12 C ATOM 779 OG SER A 54 5.721 13.352 29.881 1.00 43.30 O ATOM 0 H SER A 54 8.307 11.900 27.172 1.00 31.21 H new ATOM 0 HA SER A 54 7.711 14.522 28.419 1.00 41.32 H new ATOM 0 HB2 SER A 54 5.638 13.374 27.825 1.00 22.12 H new ATOM 0 HB3 SER A 54 6.207 11.875 28.532 1.00 22.12 H new ATOM 0 HG SER A 54 4.795 13.039 29.958 1.00 43.30 H new ATOM 785 N SER A 55 8.464 13.770 30.741 1.00 4.32 N ATOM 786 CA SER A 55 9.212 13.461 31.954 1.00 33.15 C ATOM 787 C SER A 55 8.811 12.096 32.506 1.00 63.21 C ATOM 788 O SER A 55 9.649 11.209 32.667 1.00 51.35 O ATOM 789 CB SER A 55 8.976 14.540 33.013 1.00 42.10 C ATOM 790 OG SER A 55 10.119 15.365 33.164 1.00 71.44 O ATOM 0 H SER A 55 7.904 14.621 30.796 1.00 4.32 H new ATOM 0 HA SER A 55 10.272 13.435 31.701 1.00 33.15 H new ATOM 0 HB2 SER A 55 8.118 15.150 32.730 1.00 42.10 H new ATOM 0 HB3 SER A 55 8.733 14.071 33.967 1.00 42.10 H new ATOM 0 HG SER A 55 9.942 16.047 33.845 1.00 71.44 H new ATOM 796 N ASN A 56 7.524 11.936 32.794 1.00 73.50 N ATOM 797 CA ASN A 56 7.011 10.679 33.328 1.00 13.22 C ATOM 798 C ASN A 56 6.692 9.700 32.203 1.00 73.51 C ATOM 799 O ASN A 56 6.164 10.087 31.161 1.00 13.21 O ATOM 800 CB ASN A 56 5.758 10.932 34.169 1.00 1.35 C ATOM 801 CG ASN A 56 6.033 11.831 35.360 1.00 20.51 C ATOM 802 OD1 ASN A 56 6.726 11.440 36.300 1.00 72.33 O ATOM 803 ND2 ASN A 56 5.489 13.042 35.325 1.00 23.44 N ATOM 0 H ASN A 56 6.817 12.660 32.667 1.00 73.50 H new ATOM 0 HA ASN A 56 7.783 10.240 33.960 1.00 13.22 H new ATOM 0 HB2 ASN A 56 4.990 11.387 33.544 1.00 1.35 H new ATOM 0 HB3 ASN A 56 5.361 9.980 34.520 1.00 1.35 H new ATOM 0 HD21 ASN A 56 5.639 13.691 36.098 1.00 23.44 H new ATOM 0 HD22 ASN A 56 4.922 13.323 34.525 1.00 23.44 H new ATOM 810 N GLN A 57 7.016 8.429 32.422 1.00 12.31 N ATOM 811 CA GLN A 57 6.764 7.394 31.426 1.00 13.43 C ATOM 812 C GLN A 57 5.270 7.109 31.304 1.00 45.12 C ATOM 813 O GLN A 57 4.778 6.780 30.225 1.00 71.13 O ATOM 814 CB GLN A 57 7.512 6.111 31.793 1.00 52.54 C ATOM 815 CG GLN A 57 8.805 5.919 31.018 1.00 45.21 C ATOM 816 CD GLN A 57 8.937 4.525 30.438 1.00 31.43 C ATOM 817 OE1 GLN A 57 9.751 3.723 30.898 1.00 33.00 O ATOM 818 NE2 GLN A 57 8.134 4.227 29.423 1.00 5.10 N ATOM 0 H GLN A 57 7.453 8.092 33.280 1.00 12.31 H new ATOM 0 HA GLN A 57 7.126 7.755 30.463 1.00 13.43 H new ATOM 0 HB2 GLN A 57 7.736 6.123 32.860 1.00 52.54 H new ATOM 0 HB3 GLN A 57 6.860 5.256 31.614 1.00 52.54 H new ATOM 0 HG2 GLN A 57 8.852 6.650 30.211 1.00 45.21 H new ATOM 0 HG3 GLN A 57 9.651 6.116 31.676 1.00 45.21 H new ATOM 0 HE21 GLN A 57 7.474 4.922 29.074 1.00 5.10 H new ATOM 0 HE22 GLN A 57 8.177 3.303 28.993 1.00 5.10 H new ATOM 827 N SER A 58 4.555 7.237 32.417 1.00 42.12 N ATOM 828 CA SER A 58 3.118 6.989 32.435 1.00 64.21 C ATOM 829 C SER A 58 2.385 7.980 31.537 1.00 75.24 C ATOM 830 O SER A 58 1.494 7.602 30.776 1.00 31.31 O ATOM 831 CB SER A 58 2.581 7.084 33.864 1.00 21.11 C ATOM 832 OG SER A 58 2.444 5.798 34.444 1.00 1.21 O ATOM 0 H SER A 58 4.947 7.511 33.318 1.00 42.12 H new ATOM 0 HA SER A 58 2.943 5.983 32.055 1.00 64.21 H new ATOM 0 HB2 SER A 58 3.255 7.690 34.470 1.00 21.11 H new ATOM 0 HB3 SER A 58 1.615 7.589 33.860 1.00 21.11 H new ATOM 0 HG SER A 58 2.101 5.886 35.358 1.00 1.21 H new ATOM 838 N GLN A 59 2.766 9.249 31.631 1.00 11.53 N ATOM 839 CA GLN A 59 2.144 10.295 30.828 1.00 11.41 C ATOM 840 C GLN A 59 2.847 10.438 29.482 1.00 15.51 C ATOM 841 O GLN A 59 2.461 11.263 28.654 1.00 13.12 O ATOM 842 CB GLN A 59 2.174 11.629 31.577 1.00 63.10 C ATOM 843 CG GLN A 59 2.119 11.479 33.089 1.00 41.03 C ATOM 844 CD GLN A 59 0.908 10.695 33.554 1.00 53.14 C ATOM 845 OE1 GLN A 59 0.000 10.412 32.772 1.00 74.13 O ATOM 846 NE2 GLN A 59 0.888 10.339 34.833 1.00 54.32 N ATOM 0 H GLN A 59 3.502 9.578 32.255 1.00 11.53 H new ATOM 0 HA GLN A 59 1.107 10.011 30.648 1.00 11.41 H new ATOM 0 HB2 GLN A 59 3.082 12.168 31.306 1.00 63.10 H new ATOM 0 HB3 GLN A 59 1.332 12.239 31.250 1.00 63.10 H new ATOM 0 HG2 GLN A 59 3.025 10.980 33.434 1.00 41.03 H new ATOM 0 HG3 GLN A 59 2.105 12.468 33.548 1.00 41.03 H new ATOM 0 HE21 GLN A 59 1.662 10.595 35.446 1.00 54.32 H new ATOM 0 HE22 GLN A 59 0.098 9.810 35.203 1.00 54.32 H new ATOM 855 N ALA A 60 3.880 9.630 29.271 1.00 40.12 N ATOM 856 CA ALA A 60 4.635 9.666 28.025 1.00 64.33 C ATOM 857 C ALA A 60 3.947 8.843 26.941 1.00 35.34 C ATOM 858 O ALA A 60 4.538 7.924 26.374 1.00 3.21 O ATOM 859 CB ALA A 60 6.053 9.161 28.252 1.00 12.42 C ATOM 0 H ALA A 60 4.213 8.942 29.947 1.00 40.12 H new ATOM 0 HA ALA A 60 4.679 10.701 27.686 1.00 64.33 H new ATOM 0 HB1 ALA A 60 6.605 9.193 27.313 1.00 12.42 H new ATOM 0 HB2 ALA A 60 6.551 9.793 28.988 1.00 12.42 H new ATOM 0 HB3 ALA A 60 6.020 8.135 28.618 1.00 12.42 H new ATOM 865 N LYS A 61 2.692 9.177 26.659 1.00 40.11 N ATOM 866 CA LYS A 61 1.921 8.470 25.643 1.00 24.11 C ATOM 867 C LYS A 61 1.505 9.415 24.521 1.00 75.24 C ATOM 868 O LYS A 61 1.141 10.565 24.767 1.00 71.14 O ATOM 869 CB LYS A 61 0.682 7.827 26.269 1.00 30.15 C ATOM 870 CG LYS A 61 0.664 6.312 26.164 1.00 75.23 C ATOM 871 CD LYS A 61 1.373 5.662 27.340 1.00 71.12 C ATOM 872 CE LYS A 61 2.365 4.606 26.878 1.00 71.51 C ATOM 873 NZ LYS A 61 1.720 3.273 26.713 1.00 11.40 N ATOM 0 H LYS A 61 2.187 9.934 27.120 1.00 40.11 H new ATOM 0 HA LYS A 61 2.553 7.689 25.221 1.00 24.11 H new ATOM 0 HB2 LYS A 61 0.628 8.111 27.320 1.00 30.15 H new ATOM 0 HB3 LYS A 61 -0.209 8.227 25.784 1.00 30.15 H new ATOM 0 HG2 LYS A 61 -0.367 5.962 26.121 1.00 75.23 H new ATOM 0 HG3 LYS A 61 1.144 6.005 25.234 1.00 75.23 H new ATOM 0 HD2 LYS A 61 1.895 6.425 27.918 1.00 71.12 H new ATOM 0 HD3 LYS A 61 0.638 5.207 28.003 1.00 71.12 H new ATOM 0 HE2 LYS A 61 2.809 4.914 25.931 1.00 71.51 H new ATOM 0 HE3 LYS A 61 3.177 4.530 27.601 1.00 71.51 H new ATOM 0 HZ1 LYS A 61 2.429 2.581 26.397 1.00 11.40 H new ATOM 0 HZ2 LYS A 61 1.318 2.967 27.622 1.00 11.40 H new ATOM 0 HZ3 LYS A 61 0.962 3.340 26.004 1.00 11.40 H new ATOM 887 N VAL A 62 1.558 8.922 23.287 1.00 23.43 N ATOM 888 CA VAL A 62 1.184 9.721 22.127 1.00 13.31 C ATOM 889 C VAL A 62 0.592 8.849 21.026 1.00 61.40 C ATOM 890 O VAL A 62 1.058 7.735 20.785 1.00 34.20 O ATOM 891 CB VAL A 62 2.392 10.492 21.563 1.00 61.12 C ATOM 892 CG1 VAL A 62 2.872 11.536 22.559 1.00 41.40 C ATOM 893 CG2 VAL A 62 3.515 9.531 21.202 1.00 1.15 C ATOM 0 H VAL A 62 1.857 7.972 23.066 1.00 23.43 H new ATOM 0 HA VAL A 62 0.432 10.435 22.464 1.00 13.31 H new ATOM 0 HB VAL A 62 2.080 11.008 20.655 1.00 61.12 H new ATOM 0 HG11 VAL A 62 3.726 12.070 22.143 1.00 41.40 H new ATOM 0 HG12 VAL A 62 2.067 12.242 22.763 1.00 41.40 H new ATOM 0 HG13 VAL A 62 3.168 11.045 23.486 1.00 41.40 H new ATOM 0 HG21 VAL A 62 4.361 10.092 20.805 1.00 1.15 H new ATOM 0 HG22 VAL A 62 3.827 8.986 22.092 1.00 1.15 H new ATOM 0 HG23 VAL A 62 3.162 8.826 20.450 1.00 1.15 H new ATOM 903 N SER A 63 -0.437 9.363 20.360 1.00 62.43 N ATOM 904 CA SER A 63 -1.095 8.629 19.285 1.00 31.32 C ATOM 905 C SER A 63 -0.506 9.006 17.929 1.00 21.24 C ATOM 906 O SER A 63 -1.022 9.884 17.239 1.00 64.31 O ATOM 907 CB SER A 63 -2.599 8.907 19.296 1.00 53.53 C ATOM 908 OG SER A 63 -3.321 7.836 18.714 1.00 63.44 O ATOM 0 H SER A 63 -0.833 10.284 20.546 1.00 62.43 H new ATOM 0 HA SER A 63 -0.928 7.565 19.450 1.00 31.32 H new ATOM 0 HB2 SER A 63 -2.936 9.062 20.321 1.00 53.53 H new ATOM 0 HB3 SER A 63 -2.806 9.828 18.750 1.00 53.53 H new ATOM 0 HG SER A 63 -4.280 8.038 18.735 1.00 63.44 H new ATOM 914 N ASN A 64 0.579 8.335 17.555 1.00 33.13 N ATOM 915 CA ASN A 64 1.240 8.599 16.282 1.00 12.25 C ATOM 916 C ASN A 64 0.953 7.486 15.279 1.00 13.40 C ATOM 917 O ASN A 64 1.373 6.345 15.465 1.00 3.03 O ATOM 918 CB ASN A 64 2.750 8.739 16.488 1.00 55.24 C ATOM 919 CG ASN A 64 3.285 7.770 17.524 1.00 73.44 C ATOM 920 OD1 ASN A 64 2.934 6.590 17.525 1.00 35.35 O ATOM 921 ND2 ASN A 64 4.139 8.265 18.411 1.00 22.33 N ATOM 0 H ASN A 64 1.019 7.605 18.115 1.00 33.13 H new ATOM 0 HA ASN A 64 0.846 9.534 15.883 1.00 12.25 H new ATOM 0 HB2 ASN A 64 3.260 8.571 15.540 1.00 55.24 H new ATOM 0 HB3 ASN A 64 2.979 9.759 16.796 1.00 55.24 H new ATOM 0 HD21 ASN A 64 4.533 7.661 19.132 1.00 22.33 H new ATOM 0 HD22 ASN A 64 4.401 9.250 18.372 1.00 22.33 H new ATOM 928 N ALA A 65 0.234 7.828 14.215 1.00 60.14 N ATOM 929 CA ALA A 65 -0.107 6.859 13.180 1.00 11.23 C ATOM 930 C ALA A 65 -0.546 7.557 11.898 1.00 55.23 C ATOM 931 O ALA A 65 -0.197 7.131 10.797 1.00 50.21 O ATOM 932 CB ALA A 65 -1.199 5.922 13.674 1.00 15.34 C ATOM 0 H ALA A 65 -0.124 8.768 14.047 1.00 60.14 H new ATOM 0 HA ALA A 65 0.785 6.274 12.957 1.00 11.23 H new ATOM 0 HB1 ALA A 65 -1.444 5.204 12.891 1.00 15.34 H new ATOM 0 HB2 ALA A 65 -0.849 5.390 14.558 1.00 15.34 H new ATOM 0 HB3 ALA A 65 -2.088 6.500 13.927 1.00 15.34 H new ATOM 938 N SER A 66 -1.315 8.631 12.047 1.00 10.34 N ATOM 939 CA SER A 66 -1.806 9.386 10.900 1.00 20.22 C ATOM 940 C SER A 66 -0.809 10.467 10.494 1.00 11.12 C ATOM 941 O SER A 66 -0.895 11.026 9.401 1.00 12.04 O ATOM 942 CB SER A 66 -3.161 10.020 11.222 1.00 64.11 C ATOM 943 OG SER A 66 -4.181 9.039 11.283 1.00 73.22 O ATOM 0 H SER A 66 -1.612 8.998 12.951 1.00 10.34 H new ATOM 0 HA SER A 66 -1.926 8.695 10.066 1.00 20.22 H new ATOM 0 HB2 SER A 66 -3.102 10.548 12.174 1.00 64.11 H new ATOM 0 HB3 SER A 66 -3.409 10.761 10.462 1.00 64.11 H new ATOM 0 HG SER A 66 -5.055 9.479 11.332 1.00 73.22 H new ATOM 949 N GLU A 67 0.136 10.756 11.383 1.00 21.33 N ATOM 950 CA GLU A 67 1.149 11.771 11.118 1.00 20.42 C ATOM 951 C GLU A 67 0.526 13.163 11.073 1.00 74.31 C ATOM 952 O GLU A 67 1.168 14.131 10.666 1.00 44.11 O ATOM 953 CB GLU A 67 1.864 11.477 9.798 1.00 72.34 C ATOM 954 CG GLU A 67 2.198 10.008 9.600 1.00 24.34 C ATOM 955 CD GLU A 67 3.495 9.801 8.842 1.00 40.53 C ATOM 956 OE1 GLU A 67 3.890 10.713 8.085 1.00 42.11 O ATOM 957 OE2 GLU A 67 4.114 8.729 9.004 1.00 1.41 O ATOM 0 H GLU A 67 0.221 10.302 12.292 1.00 21.33 H new ATOM 0 HA GLU A 67 1.875 11.743 11.930 1.00 20.42 H new ATOM 0 HB2 GLU A 67 1.237 11.813 8.972 1.00 72.34 H new ATOM 0 HB3 GLU A 67 2.785 12.059 9.756 1.00 72.34 H new ATOM 0 HG2 GLU A 67 2.268 9.521 10.573 1.00 24.34 H new ATOM 0 HG3 GLU A 67 1.385 9.524 9.059 1.00 24.34 H new ATOM 964 N THR A 68 -0.732 13.255 11.493 1.00 13.53 N ATOM 965 CA THR A 68 -1.444 14.527 11.500 1.00 52.14 C ATOM 966 C THR A 68 -2.141 14.760 12.835 1.00 13.40 C ATOM 967 O THR A 68 -2.847 15.753 13.014 1.00 2.40 O ATOM 968 CB THR A 68 -2.489 14.591 10.370 1.00 53.42 C ATOM 969 OG1 THR A 68 -3.622 13.781 10.703 1.00 23.12 O ATOM 970 CG2 THR A 68 -1.892 14.120 9.053 1.00 61.14 C ATOM 0 H THR A 68 -1.279 12.464 11.833 1.00 13.53 H new ATOM 0 HA THR A 68 -0.699 15.307 11.342 1.00 52.14 H new ATOM 0 HB THR A 68 -2.805 15.628 10.257 1.00 53.42 H new ATOM 0 HG1 THR A 68 -4.282 13.829 9.980 1.00 23.12 H new ATOM 0 HG21 THR A 68 -2.649 14.174 8.270 1.00 61.14 H new ATOM 0 HG22 THR A 68 -1.049 14.757 8.787 1.00 61.14 H new ATOM 0 HG23 THR A 68 -1.550 13.090 9.156 1.00 61.14 H new ATOM 978 N LYS A 69 -1.939 13.840 13.771 1.00 31.34 N ATOM 979 CA LYS A 69 -2.546 13.945 15.093 1.00 54.32 C ATOM 980 C LYS A 69 -1.551 14.502 16.106 1.00 33.31 C ATOM 981 O LYS A 69 -1.502 15.708 16.345 1.00 74.51 O ATOM 982 CB LYS A 69 -3.051 12.577 15.556 1.00 63.42 C ATOM 983 CG LYS A 69 -4.505 12.314 15.207 1.00 54.34 C ATOM 984 CD LYS A 69 -4.881 10.860 15.438 1.00 11.44 C ATOM 985 CE LYS A 69 -5.423 10.216 14.172 1.00 63.23 C ATOM 986 NZ LYS A 69 -6.282 9.038 14.473 1.00 72.43 N ATOM 0 H LYS A 69 -1.359 13.012 13.639 1.00 31.34 H new ATOM 0 HA LYS A 69 -3.390 14.632 15.024 1.00 54.32 H new ATOM 0 HB2 LYS A 69 -2.432 11.800 15.107 1.00 63.42 H new ATOM 0 HB3 LYS A 69 -2.926 12.500 16.636 1.00 63.42 H new ATOM 0 HG2 LYS A 69 -5.147 12.957 15.810 1.00 54.34 H new ATOM 0 HG3 LYS A 69 -4.682 12.575 14.164 1.00 54.34 H new ATOM 0 HD2 LYS A 69 -4.007 10.308 15.783 1.00 11.44 H new ATOM 0 HD3 LYS A 69 -5.629 10.798 16.228 1.00 11.44 H new ATOM 0 HE2 LYS A 69 -5.998 10.951 13.609 1.00 63.23 H new ATOM 0 HE3 LYS A 69 -4.592 9.907 13.537 1.00 63.23 H new ATOM 0 HZ1 LYS A 69 -6.632 8.627 13.584 1.00 72.43 H new ATOM 0 HZ2 LYS A 69 -5.726 8.326 14.988 1.00 72.43 H new ATOM 0 HZ3 LYS A 69 -7.089 9.337 15.057 1.00 72.43 H new ATOM 1000 N GLY A 70 -0.758 13.614 16.699 1.00 41.24 N ATOM 1001 CA GLY A 70 0.226 14.036 17.678 1.00 2.50 C ATOM 1002 C GLY A 70 -0.345 14.107 19.080 1.00 23.45 C ATOM 1003 O GLY A 70 0.383 14.353 20.043 1.00 13.54 O ATOM 0 H GLY A 70 -0.780 12.610 16.519 1.00 41.24 H new ATOM 0 HA2 GLY A 70 1.067 13.342 17.666 1.00 2.50 H new ATOM 0 HA3 GLY A 70 0.616 15.014 17.398 1.00 2.50 H new ATOM 1007 N LEU A 71 -1.650 13.891 19.197 1.00 32.24 N ATOM 1008 CA LEU A 71 -2.320 13.932 20.493 1.00 45.21 C ATOM 1009 C LEU A 71 -1.524 13.162 21.542 1.00 62.12 C ATOM 1010 O LEU A 71 -0.891 12.151 21.237 1.00 31.23 O ATOM 1011 CB LEU A 71 -3.730 13.352 20.379 1.00 54.10 C ATOM 1012 CG LEU A 71 -3.819 11.866 20.029 1.00 2.21 C ATOM 1013 CD1 LEU A 71 -4.359 11.072 21.208 1.00 74.43 C ATOM 1014 CD2 LEU A 71 -4.690 11.659 18.799 1.00 34.11 C ATOM 0 H LEU A 71 -2.266 13.686 18.410 1.00 32.24 H new ATOM 0 HA LEU A 71 -2.387 14.974 20.807 1.00 45.21 H new ATOM 0 HB2 LEU A 71 -4.245 13.513 21.326 1.00 54.10 H new ATOM 0 HB3 LEU A 71 -4.273 13.916 19.621 1.00 54.10 H new ATOM 0 HG LEU A 71 -2.816 11.504 19.803 1.00 2.21 H new ATOM 0 HD11 LEU A 71 -4.415 10.017 20.941 1.00 74.43 H new ATOM 0 HD12 LEU A 71 -3.695 11.195 22.064 1.00 74.43 H new ATOM 0 HD13 LEU A 71 -5.354 11.435 21.466 1.00 74.43 H new ATOM 0 HD21 LEU A 71 -4.742 10.596 18.565 1.00 34.11 H new ATOM 0 HD22 LEU A 71 -5.693 12.037 18.996 1.00 34.11 H new ATOM 0 HD23 LEU A 71 -4.260 12.196 17.954 1.00 34.11 H new ATOM 1026 N VAL A 72 -1.562 13.646 22.779 1.00 21.13 N ATOM 1027 CA VAL A 72 -0.847 13.001 23.875 1.00 53.34 C ATOM 1028 C VAL A 72 -1.812 12.521 24.953 1.00 10.31 C ATOM 1029 O VAL A 72 -2.661 13.278 25.425 1.00 40.51 O ATOM 1030 CB VAL A 72 0.183 13.954 24.510 1.00 60.30 C ATOM 1031 CG1 VAL A 72 1.239 14.355 23.491 1.00 30.32 C ATOM 1032 CG2 VAL A 72 -0.509 15.181 25.084 1.00 72.32 C ATOM 0 H VAL A 72 -2.080 14.482 23.048 1.00 21.13 H new ATOM 0 HA VAL A 72 -0.324 12.143 23.452 1.00 53.34 H new ATOM 0 HB VAL A 72 0.681 13.431 25.327 1.00 60.30 H new ATOM 0 HG11 VAL A 72 1.958 15.028 23.958 1.00 30.32 H new ATOM 0 HG12 VAL A 72 1.755 13.465 23.133 1.00 30.32 H new ATOM 0 HG13 VAL A 72 0.761 14.860 22.651 1.00 30.32 H new ATOM 0 HG21 VAL A 72 0.234 15.843 25.529 1.00 72.32 H new ATOM 0 HG22 VAL A 72 -1.035 15.708 24.288 1.00 72.32 H new ATOM 0 HG23 VAL A 72 -1.223 14.872 25.848 1.00 72.32 H new ATOM 1042 N THR A 73 -1.676 11.257 25.341 1.00 73.23 N ATOM 1043 CA THR A 73 -2.536 10.674 26.363 1.00 1.44 C ATOM 1044 C THR A 73 -1.748 10.358 27.629 1.00 3.23 C ATOM 1045 O THR A 73 -0.548 10.091 27.575 1.00 50.21 O ATOM 1046 CB THR A 73 -3.215 9.387 25.860 1.00 61.31 C ATOM 1047 OG1 THR A 73 -3.723 9.586 24.536 1.00 43.11 O ATOM 1048 CG2 THR A 73 -4.349 8.975 26.787 1.00 62.13 C ATOM 0 H THR A 73 -0.978 10.617 24.962 1.00 73.23 H new ATOM 0 HA THR A 73 -3.303 11.415 26.590 1.00 1.44 H new ATOM 0 HB THR A 73 -2.470 8.591 25.847 1.00 61.31 H new ATOM 0 HG1 THR A 73 -4.037 8.731 24.174 1.00 43.11 H new ATOM 0 HG21 THR A 73 -4.813 8.063 26.411 1.00 62.13 H new ATOM 0 HG22 THR A 73 -3.954 8.795 27.787 1.00 62.13 H new ATOM 0 HG23 THR A 73 -5.093 9.771 26.828 1.00 62.13 H new ATOM 1056 N GLY A 74 -2.431 10.389 28.770 1.00 42.43 N ATOM 1057 CA GLY A 74 -1.778 10.103 30.034 1.00 44.43 C ATOM 1058 C GLY A 74 -2.354 8.881 30.720 1.00 24.14 C ATOM 1059 O GLY A 74 -3.457 8.440 30.395 1.00 4.54 O ATOM 0 H GLY A 74 -3.425 10.607 28.841 1.00 42.43 H new ATOM 0 HA2 GLY A 74 -0.712 9.951 29.863 1.00 44.43 H new ATOM 0 HA3 GLY A 74 -1.875 10.966 30.693 1.00 44.43 H new ATOM 1063 N ILE A 75 -1.606 8.331 31.671 1.00 63.21 N ATOM 1064 CA ILE A 75 -2.049 7.152 32.404 1.00 22.41 C ATOM 1065 C ILE A 75 -2.528 7.522 33.803 1.00 11.35 C ATOM 1066 O ILE A 75 -3.573 7.056 34.256 1.00 12.43 O ATOM 1067 CB ILE A 75 -0.925 6.105 32.519 1.00 22.02 C ATOM 1068 CG1 ILE A 75 -0.541 5.583 31.133 1.00 23.43 C ATOM 1069 CG2 ILE A 75 -1.358 4.959 33.422 1.00 52.43 C ATOM 1070 CD1 ILE A 75 0.765 4.820 31.116 1.00 63.42 C ATOM 0 H ILE A 75 -0.691 8.683 31.952 1.00 63.21 H new ATOM 0 HA ILE A 75 -2.878 6.723 31.840 1.00 22.41 H new ATOM 0 HB ILE A 75 -0.050 6.580 32.963 1.00 22.02 H new ATOM 0 HG12 ILE A 75 -1.336 4.935 30.765 1.00 23.43 H new ATOM 0 HG13 ILE A 75 -0.470 6.424 30.443 1.00 23.43 H new ATOM 0 HG21 ILE A 75 -0.553 4.228 33.493 1.00 52.43 H new ATOM 0 HG22 ILE A 75 -1.586 5.345 34.415 1.00 52.43 H new ATOM 0 HG23 ILE A 75 -2.245 4.483 33.005 1.00 52.43 H new ATOM 0 HD11 ILE A 75 0.974 4.480 30.102 1.00 63.42 H new ATOM 0 HD12 ILE A 75 1.571 5.471 31.454 1.00 63.42 H new ATOM 0 HD13 ILE A 75 0.692 3.959 31.780 1.00 63.42 H new ATOM 1082 N ALA A 76 -1.757 8.365 34.483 1.00 55.20 N ATOM 1083 CA ALA A 76 -2.105 8.802 35.829 1.00 12.14 C ATOM 1084 C ALA A 76 -2.190 10.323 35.908 1.00 34.44 C ATOM 1085 O ALA A 76 -1.904 11.021 34.936 1.00 3.22 O ATOM 1086 CB ALA A 76 -1.091 8.276 36.834 1.00 64.44 C ATOM 0 H ALA A 76 -0.887 8.759 34.123 1.00 55.20 H new ATOM 0 HA ALA A 76 -3.087 8.396 36.073 1.00 12.14 H new ATOM 0 HB1 ALA A 76 -1.364 8.610 37.835 1.00 64.44 H new ATOM 0 HB2 ALA A 76 -1.082 7.186 36.805 1.00 64.44 H new ATOM 0 HB3 ALA A 76 -0.100 8.654 36.583 1.00 64.44 H new ATOM 1092 N SER A 77 -2.587 10.829 37.072 1.00 61.14 N ATOM 1093 CA SER A 77 -2.714 12.267 37.276 1.00 53.13 C ATOM 1094 C SER A 77 -1.353 12.951 37.190 1.00 20.42 C ATOM 1095 O SER A 77 -0.364 12.341 36.786 1.00 70.14 O ATOM 1096 CB SER A 77 -3.358 12.556 38.633 1.00 33.11 C ATOM 1097 OG SER A 77 -2.391 12.549 39.668 1.00 22.34 O ATOM 0 H SER A 77 -2.826 10.264 37.887 1.00 61.14 H new ATOM 0 HA SER A 77 -3.352 12.666 36.487 1.00 53.13 H new ATOM 0 HB2 SER A 77 -3.857 13.525 38.603 1.00 33.11 H new ATOM 0 HB3 SER A 77 -4.124 11.809 38.842 1.00 33.11 H new ATOM 0 HG SER A 77 -2.828 12.738 40.525 1.00 22.34 H new ATOM 1103 N GLY A 78 -1.311 14.223 37.575 1.00 71.31 N ATOM 1104 CA GLY A 78 -0.067 14.969 37.534 1.00 14.44 C ATOM 1105 C GLY A 78 -0.052 16.011 36.434 1.00 53.34 C ATOM 1106 O GLY A 78 -1.003 16.121 35.661 1.00 13.41 O ATOM 0 H GLY A 78 -2.116 14.750 37.914 1.00 71.31 H new ATOM 0 HA2 GLY A 78 0.092 15.458 38.495 1.00 14.44 H new ATOM 0 HA3 GLY A 78 0.763 14.278 37.387 1.00 14.44 H new ATOM 1110 N ASN A 79 1.030 16.779 36.363 1.00 41.34 N ATOM 1111 CA ASN A 79 1.164 17.820 35.349 1.00 21.44 C ATOM 1112 C ASN A 79 2.346 17.533 34.429 1.00 44.23 C ATOM 1113 O ASN A 79 3.350 18.247 34.425 1.00 15.10 O ATOM 1114 CB ASN A 79 1.339 19.187 36.013 1.00 44.23 C ATOM 1115 CG ASN A 79 0.213 19.512 36.974 1.00 32.05 C ATOM 1116 OD1 ASN A 79 0.049 18.853 38.002 1.00 45.43 O ATOM 1117 ND2 ASN A 79 -0.571 20.532 36.644 1.00 31.25 N ATOM 0 H ASN A 79 1.827 16.701 36.995 1.00 41.34 H new ATOM 0 HA ASN A 79 0.254 17.829 34.749 1.00 21.44 H new ATOM 0 HB2 ASN A 79 2.288 19.208 36.549 1.00 44.23 H new ATOM 0 HB3 ASN A 79 1.390 19.958 35.244 1.00 44.23 H new ATOM 0 HD21 ASN A 79 -1.346 20.797 37.252 1.00 31.25 H new ATOM 0 HD22 ASN A 79 -0.398 21.050 35.783 1.00 31.25 H new ATOM 1124 N PRO A 80 2.227 16.464 33.628 1.00 24.31 N ATOM 1125 CA PRO A 80 3.276 16.059 32.687 1.00 31.41 C ATOM 1126 C PRO A 80 3.420 17.035 31.525 1.00 64.03 C ATOM 1127 O PRO A 80 2.450 17.666 31.105 1.00 15.25 O ATOM 1128 CB PRO A 80 2.794 14.696 32.184 1.00 73.21 C ATOM 1129 CG PRO A 80 1.314 14.730 32.357 1.00 25.31 C ATOM 1130 CD PRO A 80 1.060 15.568 33.579 1.00 32.34 C ATOM 0 HA PRO A 80 4.258 16.032 33.158 1.00 31.41 H new ATOM 0 HB2 PRO A 80 3.067 14.540 31.140 1.00 73.21 H new ATOM 0 HB3 PRO A 80 3.241 13.882 32.755 1.00 73.21 H new ATOM 0 HG2 PRO A 80 0.828 15.160 31.481 1.00 25.31 H new ATOM 0 HG3 PRO A 80 0.912 13.725 32.483 1.00 25.31 H new ATOM 0 HD2 PRO A 80 0.128 16.127 33.496 1.00 32.34 H new ATOM 0 HD3 PRO A 80 0.986 14.956 34.478 1.00 32.34 H new ATOM 1138 N THR A 81 4.639 17.155 31.006 1.00 32.04 N ATOM 1139 CA THR A 81 4.910 18.055 29.893 1.00 63.03 C ATOM 1140 C THR A 81 5.392 17.285 28.668 1.00 31.04 C ATOM 1141 O THR A 81 6.365 16.534 28.739 1.00 21.24 O ATOM 1142 CB THR A 81 5.966 19.111 30.269 1.00 44.42 C ATOM 1143 OG1 THR A 81 5.638 19.705 31.530 1.00 22.20 O ATOM 1144 CG2 THR A 81 6.055 20.192 29.202 1.00 54.12 C ATOM 0 H THR A 81 5.454 16.640 31.340 1.00 32.04 H new ATOM 0 HA THR A 81 3.972 18.558 29.657 1.00 63.03 H new ATOM 0 HB THR A 81 6.933 18.614 30.342 1.00 44.42 H new ATOM 0 HG1 THR A 81 6.315 20.374 31.763 1.00 22.20 H new ATOM 0 HG21 THR A 81 6.807 20.926 29.490 1.00 54.12 H new ATOM 0 HG22 THR A 81 6.334 19.741 28.250 1.00 54.12 H new ATOM 0 HG23 THR A 81 5.088 20.684 29.101 1.00 54.12 H new ATOM 1152 N ILE A 82 4.706 17.477 27.547 1.00 73.11 N ATOM 1153 CA ILE A 82 5.066 16.801 26.307 1.00 54.24 C ATOM 1154 C ILE A 82 5.927 17.697 25.423 1.00 73.25 C ATOM 1155 O ILE A 82 5.431 18.644 24.812 1.00 41.32 O ATOM 1156 CB ILE A 82 3.815 16.369 25.518 1.00 45.35 C ATOM 1157 CG1 ILE A 82 2.813 15.679 26.445 1.00 24.11 C ATOM 1158 CG2 ILE A 82 4.205 15.449 24.370 1.00 31.15 C ATOM 1159 CD1 ILE A 82 3.382 14.471 27.157 1.00 11.41 C ATOM 0 H ILE A 82 3.898 18.095 27.472 1.00 73.11 H new ATOM 0 HA ILE A 82 5.635 15.914 26.584 1.00 54.24 H new ATOM 0 HB ILE A 82 3.341 17.258 25.101 1.00 45.35 H new ATOM 0 HG12 ILE A 82 2.463 16.397 27.187 1.00 24.11 H new ATOM 0 HG13 ILE A 82 1.944 15.372 25.863 1.00 24.11 H new ATOM 0 HG21 ILE A 82 3.311 15.152 23.822 1.00 31.15 H new ATOM 0 HG22 ILE A 82 4.885 15.973 23.699 1.00 31.15 H new ATOM 0 HG23 ILE A 82 4.699 14.562 24.766 1.00 31.15 H new ATOM 0 HD11 ILE A 82 2.617 14.032 27.797 1.00 11.41 H new ATOM 0 HD12 ILE A 82 3.706 13.735 26.422 1.00 11.41 H new ATOM 0 HD13 ILE A 82 4.233 14.775 27.766 1.00 11.41 H new ATOM 1171 N ILE A 83 7.218 17.389 25.358 1.00 52.43 N ATOM 1172 CA ILE A 83 8.147 18.165 24.546 1.00 63.23 C ATOM 1173 C ILE A 83 8.302 17.557 23.156 1.00 54.55 C ATOM 1174 O ILE A 83 8.478 16.348 23.012 1.00 52.15 O ATOM 1175 CB ILE A 83 9.534 18.257 25.210 1.00 14.01 C ATOM 1176 CG1 ILE A 83 9.404 18.788 26.639 1.00 20.44 C ATOM 1177 CG2 ILE A 83 10.456 19.147 24.390 1.00 13.24 C ATOM 1178 CD1 ILE A 83 8.859 20.197 26.714 1.00 62.23 C ATOM 0 H ILE A 83 7.644 16.608 25.857 1.00 52.43 H new ATOM 0 HA ILE A 83 7.728 19.167 24.458 1.00 63.23 H new ATOM 0 HB ILE A 83 9.968 17.258 25.251 1.00 14.01 H new ATOM 0 HG12 ILE A 83 8.752 18.124 27.206 1.00 20.44 H new ATOM 0 HG13 ILE A 83 10.382 18.760 27.119 1.00 20.44 H new ATOM 0 HG21 ILE A 83 11.432 19.202 24.872 1.00 13.24 H new ATOM 0 HG22 ILE A 83 10.569 18.730 23.389 1.00 13.24 H new ATOM 0 HG23 ILE A 83 10.029 20.147 24.320 1.00 13.24 H new ATOM 0 HD11 ILE A 83 8.794 20.507 27.757 1.00 62.23 H new ATOM 0 HD12 ILE A 83 9.523 20.873 26.175 1.00 62.23 H new ATOM 0 HD13 ILE A 83 7.867 20.228 26.264 1.00 62.23 H new ATOM 1190 N ALA A 84 8.236 18.406 22.135 1.00 72.35 N ATOM 1191 CA ALA A 84 8.372 17.953 20.756 1.00 41.44 C ATOM 1192 C ALA A 84 9.672 18.459 20.138 1.00 33.51 C ATOM 1193 O ALA A 84 10.019 19.633 20.269 1.00 20.24 O ATOM 1194 CB ALA A 84 7.180 18.412 19.929 1.00 13.24 C ATOM 0 H ALA A 84 8.089 19.410 22.237 1.00 72.35 H new ATOM 0 HA ALA A 84 8.400 16.863 20.759 1.00 41.44 H new ATOM 0 HB1 ALA A 84 7.295 18.067 18.902 1.00 13.24 H new ATOM 0 HB2 ALA A 84 6.264 17.998 20.350 1.00 13.24 H new ATOM 0 HB3 ALA A 84 7.126 19.501 19.942 1.00 13.24 H new ATOM 1200 N THR A 85 10.388 17.564 19.464 1.00 3.21 N ATOM 1201 CA THR A 85 11.651 17.919 18.828 1.00 74.20 C ATOM 1202 C THR A 85 11.641 17.556 17.347 1.00 22.04 C ATOM 1203 O THR A 85 11.461 16.393 16.984 1.00 15.43 O ATOM 1204 CB THR A 85 12.840 17.216 19.509 1.00 10.14 C ATOM 1205 OG1 THR A 85 12.748 15.800 19.318 1.00 51.15 O ATOM 1206 CG2 THR A 85 12.874 17.530 20.998 1.00 53.25 C ATOM 0 H THR A 85 10.115 16.589 19.345 1.00 3.21 H new ATOM 0 HA THR A 85 11.767 18.998 18.935 1.00 74.20 H new ATOM 0 HB THR A 85 13.759 17.584 19.054 1.00 10.14 H new ATOM 0 HG1 THR A 85 12.257 15.613 18.491 1.00 51.15 H new ATOM 0 HG21 THR A 85 13.722 17.023 21.458 1.00 53.25 H new ATOM 0 HG22 THR A 85 12.974 18.606 21.141 1.00 53.25 H new ATOM 0 HG23 THR A 85 11.950 17.187 21.463 1.00 53.25 H new ATOM 1214 N TYR A 86 11.837 18.557 16.497 1.00 43.13 N ATOM 1215 CA TYR A 86 11.850 18.343 15.054 1.00 14.25 C ATOM 1216 C TYR A 86 12.680 19.413 14.352 1.00 23.21 C ATOM 1217 O TYR A 86 12.311 20.586 14.329 1.00 41.11 O ATOM 1218 CB TYR A 86 10.422 18.348 14.505 1.00 61.21 C ATOM 1219 CG TYR A 86 10.329 17.920 13.058 1.00 60.32 C ATOM 1220 CD1 TYR A 86 11.097 16.868 12.573 1.00 4.14 C ATOM 1221 CD2 TYR A 86 9.474 18.567 12.175 1.00 72.03 C ATOM 1222 CE1 TYR A 86 11.016 16.474 11.252 1.00 64.22 C ATOM 1223 CE2 TYR A 86 9.385 18.179 10.852 1.00 21.50 C ATOM 1224 CZ TYR A 86 10.158 17.132 10.395 1.00 25.33 C ATOM 1225 OH TYR A 86 10.074 16.743 9.078 1.00 21.31 O ATOM 0 H TYR A 86 11.989 19.525 16.781 1.00 43.13 H new ATOM 0 HA TYR A 86 12.304 17.371 14.860 1.00 14.25 H new ATOM 0 HB2 TYR A 86 9.806 17.684 15.112 1.00 61.21 H new ATOM 0 HB3 TYR A 86 10.006 19.350 14.606 1.00 61.21 H new ATOM 0 HD1 TYR A 86 11.769 16.350 13.241 1.00 4.14 H new ATOM 0 HD2 TYR A 86 8.868 19.388 12.529 1.00 72.03 H new ATOM 0 HE1 TYR A 86 11.621 15.655 10.892 1.00 64.22 H new ATOM 0 HE2 TYR A 86 8.714 18.693 10.179 1.00 21.50 H new ATOM 0 HH TYR A 86 9.172 16.924 8.740 1.00 21.31 H new ATOM 1235 N GLY A 87 13.806 18.997 13.779 1.00 0.31 N ATOM 1236 CA GLY A 87 14.672 19.931 13.083 1.00 24.51 C ATOM 1237 C GLY A 87 15.297 20.948 14.017 1.00 45.14 C ATOM 1238 O GLY A 87 15.885 20.587 15.036 1.00 34.33 O ATOM 0 H GLY A 87 14.133 18.031 13.784 1.00 0.31 H new ATOM 0 HA2 GLY A 87 15.461 19.379 12.572 1.00 24.51 H new ATOM 0 HA3 GLY A 87 14.098 20.451 12.316 1.00 24.51 H new ATOM 1242 N SER A 88 15.173 22.224 13.667 1.00 0.51 N ATOM 1243 CA SER A 88 15.735 23.298 14.479 1.00 65.44 C ATOM 1244 C SER A 88 14.655 23.960 15.328 1.00 53.25 C ATOM 1245 O SER A 88 14.901 24.968 15.990 1.00 15.22 O ATOM 1246 CB SER A 88 16.410 24.341 13.586 1.00 72.02 C ATOM 1247 OG SER A 88 17.821 24.245 13.666 1.00 63.24 O ATOM 0 H SER A 88 14.689 22.540 12.827 1.00 0.51 H new ATOM 0 HA SER A 88 16.480 22.864 15.146 1.00 65.44 H new ATOM 0 HB2 SER A 88 16.091 24.201 12.553 1.00 72.02 H new ATOM 0 HB3 SER A 88 16.093 25.340 13.885 1.00 72.02 H new ATOM 0 HG SER A 88 18.228 24.921 13.085 1.00 63.24 H new ATOM 1253 N VAL A 89 13.456 23.386 15.302 1.00 1.00 N ATOM 1254 CA VAL A 89 12.337 23.919 16.069 1.00 33.14 C ATOM 1255 C VAL A 89 11.736 22.852 16.977 1.00 15.04 C ATOM 1256 O VAL A 89 11.666 21.679 16.612 1.00 23.52 O ATOM 1257 CB VAL A 89 11.235 24.471 15.145 1.00 1.13 C ATOM 1258 CG1 VAL A 89 10.053 24.970 15.962 1.00 30.23 C ATOM 1259 CG2 VAL A 89 11.788 25.579 14.261 1.00 32.31 C ATOM 0 H VAL A 89 13.235 22.552 14.758 1.00 1.00 H new ATOM 0 HA VAL A 89 12.730 24.732 16.679 1.00 33.14 H new ATOM 0 HB VAL A 89 10.886 23.663 14.502 1.00 1.13 H new ATOM 0 HG11 VAL A 89 9.285 25.356 15.292 1.00 30.23 H new ATOM 0 HG12 VAL A 89 9.643 24.148 16.549 1.00 30.23 H new ATOM 0 HG13 VAL A 89 10.383 25.764 16.632 1.00 30.23 H new ATOM 0 HG21 VAL A 89 10.996 25.958 13.614 1.00 32.31 H new ATOM 0 HG22 VAL A 89 12.165 26.389 14.886 1.00 32.31 H new ATOM 0 HG23 VAL A 89 12.599 25.185 13.649 1.00 32.31 H new ATOM 1269 N SER A 90 11.301 23.268 18.163 1.00 61.12 N ATOM 1270 CA SER A 90 10.708 22.347 19.126 1.00 41.24 C ATOM 1271 C SER A 90 9.486 22.972 19.793 1.00 25.40 C ATOM 1272 O SER A 90 9.400 24.190 19.940 1.00 23.12 O ATOM 1273 CB SER A 90 11.737 21.953 20.187 1.00 63.23 C ATOM 1274 OG SER A 90 12.573 23.048 20.519 1.00 15.30 O ATOM 0 H SER A 90 11.348 24.236 18.480 1.00 61.12 H new ATOM 0 HA SER A 90 10.390 21.453 18.589 1.00 41.24 H new ATOM 0 HB2 SER A 90 11.224 21.599 21.081 1.00 63.23 H new ATOM 0 HB3 SER A 90 12.345 21.126 19.819 1.00 63.23 H new ATOM 0 HG SER A 90 13.221 22.770 21.200 1.00 15.30 H new ATOM 1280 N GLY A 91 8.543 22.126 20.195 1.00 34.23 N ATOM 1281 CA GLY A 91 7.338 22.612 20.842 1.00 32.12 C ATOM 1282 C GLY A 91 7.154 22.037 22.232 1.00 32.35 C ATOM 1283 O GLY A 91 8.028 21.337 22.743 1.00 51.34 O ATOM 0 H GLY A 91 8.592 21.113 20.084 1.00 34.23 H new ATOM 0 HA2 GLY A 91 7.376 23.700 20.904 1.00 32.12 H new ATOM 0 HA3 GLY A 91 6.473 22.358 20.230 1.00 32.12 H new ATOM 1287 N ASN A 92 6.014 22.333 22.848 1.00 53.22 N ATOM 1288 CA ASN A 92 5.719 21.842 24.189 1.00 11.20 C ATOM 1289 C ASN A 92 4.239 22.013 24.518 1.00 73.45 C ATOM 1290 O ASN A 92 3.654 23.068 24.273 1.00 51.44 O ATOM 1291 CB ASN A 92 6.571 22.581 25.224 1.00 73.54 C ATOM 1292 CG ASN A 92 6.211 24.050 25.326 1.00 12.12 C ATOM 1293 OD1 ASN A 92 6.485 24.833 24.416 1.00 21.24 O ATOM 1294 ND2 ASN A 92 5.593 24.432 26.438 1.00 23.43 N ATOM 0 H ASN A 92 5.279 22.911 22.440 1.00 53.22 H new ATOM 0 HA ASN A 92 5.960 20.779 24.221 1.00 11.20 H new ATOM 0 HB2 ASN A 92 6.444 22.110 26.199 1.00 73.54 H new ATOM 0 HB3 ASN A 92 7.624 22.485 24.959 1.00 73.54 H new ATOM 0 HD21 ASN A 92 5.326 25.408 26.563 1.00 23.43 H new ATOM 0 HD22 ASN A 92 5.386 23.749 27.167 1.00 23.43 H new ATOM 1301 N THR A 93 3.637 20.966 25.075 1.00 64.13 N ATOM 1302 CA THR A 93 2.226 20.999 25.437 1.00 60.44 C ATOM 1303 C THR A 93 2.025 20.623 26.900 1.00 10.43 C ATOM 1304 O THR A 93 2.648 19.687 27.402 1.00 74.12 O ATOM 1305 CB THR A 93 1.398 20.044 24.555 1.00 11.54 C ATOM 1306 OG1 THR A 93 1.588 18.692 24.985 1.00 31.21 O ATOM 1307 CG2 THR A 93 1.794 20.178 23.093 1.00 61.22 C ATOM 0 H THR A 93 4.106 20.085 25.285 1.00 64.13 H new ATOM 0 HA THR A 93 1.882 22.021 25.277 1.00 60.44 H new ATOM 0 HB THR A 93 0.346 20.312 24.655 1.00 11.54 H new ATOM 0 HG1 THR A 93 1.057 18.092 24.421 1.00 31.21 H new ATOM 0 HG21 THR A 93 1.196 19.494 22.490 1.00 61.22 H new ATOM 0 HG22 THR A 93 1.620 21.202 22.761 1.00 61.22 H new ATOM 0 HG23 THR A 93 2.850 19.934 22.978 1.00 61.22 H new ATOM 1315 N ILE A 94 1.152 21.359 27.580 1.00 10.02 N ATOM 1316 CA ILE A 94 0.868 21.101 28.987 1.00 41.35 C ATOM 1317 C ILE A 94 -0.505 20.463 29.162 1.00 33.51 C ATOM 1318 O ILE A 94 -1.491 20.912 28.576 1.00 10.52 O ATOM 1319 CB ILE A 94 0.930 22.395 29.820 1.00 44.13 C ATOM 1320 CG1 ILE A 94 0.482 22.124 31.257 1.00 31.12 C ATOM 1321 CG2 ILE A 94 0.068 23.476 29.185 1.00 61.21 C ATOM 1322 CD1 ILE A 94 -0.983 22.415 31.498 1.00 2.02 C ATOM 0 H ILE A 94 0.629 22.138 27.180 1.00 10.02 H new ATOM 0 HA ILE A 94 1.634 20.412 29.343 1.00 41.35 H new ATOM 0 HB ILE A 94 1.961 22.747 29.841 1.00 44.13 H new ATOM 0 HG12 ILE A 94 0.682 21.081 31.501 1.00 31.12 H new ATOM 0 HG13 ILE A 94 1.081 22.730 31.936 1.00 31.12 H new ATOM 0 HG21 ILE A 94 0.122 24.384 29.785 1.00 61.21 H new ATOM 0 HG22 ILE A 94 0.429 23.685 28.178 1.00 61.21 H new ATOM 0 HG23 ILE A 94 -0.966 23.135 29.136 1.00 61.21 H new ATOM 0 HD11 ILE A 94 -1.230 22.200 32.538 1.00 2.02 H new ATOM 0 HD12 ILE A 94 -1.185 23.465 31.286 1.00 2.02 H new ATOM 0 HD13 ILE A 94 -1.591 21.790 30.844 1.00 2.02 H new ATOM 1334 N LEU A 95 -0.564 19.412 29.973 1.00 2.34 N ATOM 1335 CA LEU A 95 -1.818 18.712 30.229 1.00 64.53 C ATOM 1336 C LEU A 95 -2.023 18.491 31.724 1.00 72.51 C ATOM 1337 O LEU A 95 -1.182 17.894 32.396 1.00 24.34 O ATOM 1338 CB LEU A 95 -1.832 17.369 29.496 1.00 34.33 C ATOM 1339 CG LEU A 95 -2.914 16.379 29.930 1.00 14.34 C ATOM 1340 CD1 LEU A 95 -4.297 16.989 29.755 1.00 4.14 C ATOM 1341 CD2 LEU A 95 -2.798 15.082 29.143 1.00 51.31 C ATOM 0 H LEU A 95 0.242 19.026 30.465 1.00 2.34 H new ATOM 0 HA LEU A 95 -2.635 19.331 29.858 1.00 64.53 H new ATOM 0 HB2 LEU A 95 -1.950 17.561 28.430 1.00 34.33 H new ATOM 0 HB3 LEU A 95 -0.859 16.895 29.629 1.00 34.33 H new ATOM 0 HG LEU A 95 -2.770 16.153 30.987 1.00 14.34 H new ATOM 0 HD11 LEU A 95 -5.054 16.270 30.069 1.00 4.14 H new ATOM 0 HD12 LEU A 95 -4.377 17.890 30.364 1.00 4.14 H new ATOM 0 HD13 LEU A 95 -4.452 17.245 28.707 1.00 4.14 H new ATOM 0 HD21 LEU A 95 -3.576 14.390 29.465 1.00 51.31 H new ATOM 0 HD22 LEU A 95 -2.915 15.290 28.079 1.00 51.31 H new ATOM 0 HD23 LEU A 95 -1.819 14.636 29.319 1.00 51.31 H new ATOM 1353 N THR A 96 -3.149 18.974 32.239 1.00 34.01 N ATOM 1354 CA THR A 96 -3.467 18.829 33.654 1.00 23.41 C ATOM 1355 C THR A 96 -4.428 17.669 33.886 1.00 72.44 C ATOM 1356 O THR A 96 -5.606 17.745 33.535 1.00 44.45 O ATOM 1357 CB THR A 96 -4.088 20.117 34.226 1.00 43.12 C ATOM 1358 OG1 THR A 96 -3.266 21.244 33.899 1.00 32.42 O ATOM 1359 CG2 THR A 96 -4.245 20.018 35.736 1.00 42.43 C ATOM 0 H THR A 96 -3.857 19.470 31.697 1.00 34.01 H new ATOM 0 HA THR A 96 -2.528 18.628 34.169 1.00 23.41 H new ATOM 0 HB THR A 96 -5.075 20.247 33.782 1.00 43.12 H new ATOM 0 HG1 THR A 96 -3.577 22.030 34.394 1.00 32.42 H new ATOM 0 HG21 THR A 96 -4.685 20.939 36.117 1.00 42.43 H new ATOM 0 HG22 THR A 96 -4.894 19.177 35.980 1.00 42.43 H new ATOM 0 HG23 THR A 96 -3.268 19.866 36.194 1.00 42.43 H new ATOM 1367 N VAL A 97 -3.919 16.594 34.480 1.00 73.34 N ATOM 1368 CA VAL A 97 -4.734 15.418 34.760 1.00 60.51 C ATOM 1369 C VAL A 97 -4.837 15.165 36.260 1.00 51.21 C ATOM 1370 O VAL A 97 -3.828 15.108 36.961 1.00 43.42 O ATOM 1371 CB VAL A 97 -4.160 14.162 34.078 1.00 60.45 C ATOM 1372 CG1 VAL A 97 -4.481 14.168 32.591 1.00 62.23 C ATOM 1373 CG2 VAL A 97 -2.659 14.070 34.307 1.00 0.01 C ATOM 0 H VAL A 97 -2.946 16.513 34.776 1.00 73.34 H new ATOM 0 HA VAL A 97 -5.727 15.619 34.359 1.00 60.51 H new ATOM 0 HB VAL A 97 -4.627 13.283 34.523 1.00 60.45 H new ATOM 0 HG11 VAL A 97 -4.068 13.273 32.126 1.00 62.23 H new ATOM 0 HG12 VAL A 97 -5.562 14.183 32.452 1.00 62.23 H new ATOM 0 HG13 VAL A 97 -4.044 15.053 32.128 1.00 62.23 H new ATOM 0 HG21 VAL A 97 -2.270 13.177 33.818 1.00 0.01 H new ATOM 0 HG22 VAL A 97 -2.173 14.952 33.891 1.00 0.01 H new ATOM 0 HG23 VAL A 97 -2.457 14.015 35.377 1.00 0.01 H new ATOM 1383 N ASN A 98 -6.065 15.014 36.746 1.00 41.01 N ATOM 1384 CA ASN A 98 -6.301 14.768 38.164 1.00 64.51 C ATOM 1385 C ASN A 98 -6.898 13.381 38.383 1.00 54.10 C ATOM 1386 O ASN A 98 -7.800 13.204 39.203 1.00 63.42 O ATOM 1387 CB ASN A 98 -7.234 15.834 38.740 1.00 3.41 C ATOM 1388 CG ASN A 98 -6.679 17.236 38.577 1.00 11.54 C ATOM 1389 OD1 ASN A 98 -6.143 17.818 39.521 1.00 35.53 O ATOM 1390 ND2 ASN A 98 -6.806 17.787 37.376 1.00 62.15 N ATOM 0 H ASN A 98 -6.912 15.058 36.179 1.00 41.01 H new ATOM 0 HA ASN A 98 -5.342 14.817 38.680 1.00 64.51 H new ATOM 0 HB2 ASN A 98 -8.203 15.770 38.246 1.00 3.41 H new ATOM 0 HB3 ASN A 98 -7.402 15.633 39.798 1.00 3.41 H new ATOM 0 HD21 ASN A 98 -6.453 18.729 37.207 1.00 62.15 H new ATOM 0 HD22 ASN A 98 -7.257 17.269 36.622 1.00 62.15 H new ATOM 1397 N LYS A 99 -6.390 12.400 37.645 1.00 51.33 N ATOM 1398 CA LYS A 99 -6.871 11.028 37.758 1.00 10.52 C ATOM 1399 C LYS A 99 -6.530 10.444 39.125 1.00 62.40 C ATOM 1400 O LYS A 99 -5.410 9.984 39.354 1.00 75.33 O ATOM 1401 CB LYS A 99 -6.263 10.160 36.654 1.00 15.30 C ATOM 1402 CG LYS A 99 -6.593 8.684 36.791 1.00 61.13 C ATOM 1403 CD LYS A 99 -8.094 8.447 36.814 1.00 43.25 C ATOM 1404 CE LYS A 99 -8.466 7.160 36.094 1.00 21.21 C ATOM 1405 NZ LYS A 99 -9.926 6.880 36.178 1.00 71.20 N ATOM 0 H LYS A 99 -5.644 12.530 36.961 1.00 51.33 H new ATOM 0 HA LYS A 99 -7.955 11.039 37.647 1.00 10.52 H new ATOM 0 HB2 LYS A 99 -6.619 10.515 35.687 1.00 15.30 H new ATOM 0 HB3 LYS A 99 -5.180 10.284 36.661 1.00 15.30 H new ATOM 0 HG2 LYS A 99 -6.150 8.133 35.962 1.00 61.13 H new ATOM 0 HG3 LYS A 99 -6.148 8.294 37.707 1.00 61.13 H new ATOM 0 HD2 LYS A 99 -8.440 8.401 37.846 1.00 43.25 H new ATOM 0 HD3 LYS A 99 -8.604 9.288 36.344 1.00 43.25 H new ATOM 0 HE2 LYS A 99 -8.169 7.230 35.048 1.00 21.21 H new ATOM 0 HE3 LYS A 99 -7.911 6.328 36.527 1.00 21.21 H new ATOM 0 HZ1 LYS A 99 -10.090 5.858 36.074 1.00 71.20 H new ATOM 0 HZ2 LYS A 99 -10.288 7.197 37.100 1.00 71.20 H new ATOM 0 HZ3 LYS A 99 -10.421 7.389 35.418 1.00 71.20 H new ATOM 1419 N THR A 100 -7.502 10.463 40.031 1.00 32.35 N ATOM 1420 CA THR A 100 -7.305 9.934 41.375 1.00 2.23 C ATOM 1421 C THR A 100 -6.745 8.517 41.332 1.00 73.10 C ATOM 1422 O THR A 100 -5.965 8.121 42.198 1.00 33.51 O ATOM 1423 CB THR A 100 -8.621 9.930 42.176 1.00 5.32 C ATOM 1424 OG1 THR A 100 -8.429 9.264 43.429 1.00 33.21 O ATOM 1425 CG2 THR A 100 -9.728 9.242 41.394 1.00 74.34 C ATOM 0 H THR A 100 -8.434 10.839 39.858 1.00 32.35 H new ATOM 0 HA THR A 100 -6.589 10.590 41.870 1.00 2.23 H new ATOM 0 HB THR A 100 -8.915 10.964 42.356 1.00 5.32 H new ATOM 0 HG1 THR A 100 -9.269 9.267 43.933 1.00 33.21 H new ATOM 0 HG21 THR A 100 -10.647 9.251 41.980 1.00 74.34 H new ATOM 0 HG22 THR A 100 -9.891 9.769 40.454 1.00 74.34 H new ATOM 0 HG23 THR A 100 -9.441 8.211 41.187 1.00 74.34 H new ATOM 1433 N ASP A 101 -7.148 7.758 40.319 1.00 64.22 N ATOM 1434 CA ASP A 101 -6.685 6.384 40.162 1.00 65.04 C ATOM 1435 C ASP A 101 -5.222 6.350 39.729 1.00 20.43 C ATOM 1436 O ASP A 101 -4.694 7.332 39.206 1.00 32.40 O ATOM 1437 CB ASP A 101 -7.549 5.646 39.139 1.00 71.44 C ATOM 1438 CG ASP A 101 -8.116 4.351 39.687 1.00 73.11 C ATOM 1439 OD1 ASP A 101 -9.102 4.411 40.451 1.00 14.31 O ATOM 1440 OD2 ASP A 101 -7.575 3.277 39.351 1.00 4.21 O ATOM 0 H ASP A 101 -7.794 8.071 39.594 1.00 64.22 H new ATOM 0 HA ASP A 101 -6.772 5.885 41.127 1.00 65.04 H new ATOM 0 HB2 ASP A 101 -8.368 6.293 38.825 1.00 71.44 H new ATOM 0 HB3 ASP A 101 -6.953 5.432 38.252 1.00 71.44 H new ATOM 1445 N THR A 102 -4.571 5.212 39.952 1.00 4.33 N ATOM 1446 CA THR A 102 -3.169 5.050 39.588 1.00 3.33 C ATOM 1447 C THR A 102 -3.025 4.268 38.288 1.00 32.30 C ATOM 1448 O THR A 102 -2.942 3.039 38.297 1.00 55.13 O ATOM 1449 CB THR A 102 -2.380 4.330 40.698 1.00 61.52 C ATOM 1450 OG1 THR A 102 -2.908 4.680 41.982 1.00 55.14 O ATOM 1451 CG2 THR A 102 -0.904 4.692 40.635 1.00 2.22 C ATOM 0 H THR A 102 -4.993 4.389 40.383 1.00 4.33 H new ATOM 0 HA THR A 102 -2.760 6.051 39.453 1.00 3.33 H new ATOM 0 HB THR A 102 -2.481 3.255 40.545 1.00 61.52 H new ATOM 0 HG1 THR A 102 -2.402 4.216 42.681 1.00 55.14 H new ATOM 0 HG21 THR A 102 -0.368 4.172 41.428 1.00 2.22 H new ATOM 0 HG22 THR A 102 -0.498 4.396 39.668 1.00 2.22 H new ATOM 0 HG23 THR A 102 -0.787 5.768 40.764 1.00 2.22 H new TER 1459 THR A 102