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 55 SER OG : rot -116:sc= 0.129 USER MOD Set 1.2: A 56 ASN : amide:sc= -2.59! K(o=-6.3!,f=-2.6) USER MOD Set 1.3: A 59 GLN : amide:sc= -3.91 K(o=-6.3,f=-11!) USER MOD Set 1.4: A 81 THR OG1 : rot 180:sc= 0.101 USER MOD Set 2.1: A 49 SER OG : rot -94:sc= 1.5 USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.871 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 23 ASN : amide:sc= -1.03 K(o=-1.5,f=2.1) USER MOD Set 4.2: A 96 THR OG1 : rot -170:sc= -0.468 USER MOD Single : A 1 GLU N :NH3+ -171:sc= 0 (180deg=-0.0548) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -46:sc= 0.878 USER MOD Single : A 8 SER OG : 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= -1.13 K(o=-1.1,f=-0.21) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.77 K(o=-1.8,f=-1) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00748 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -140:sc= -0.152 USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.33) USER MOD Single : A 31 GLN : amide:sc= -2.82 K(o=-2.8,f=-2) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 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 -145:sc= 1.24 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00606 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -22:sc= 1.09 USER MOD Single : A 57 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.1!) 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= -0.134 K(o=-0.13,f=0.55) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0113) USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00173 USER MOD Single : A 77 SER OG : rot 170:sc= -0.554 USER MOD Single : A 79 ASN : amide:sc= -0.0431 K(o=-0.043,f=-1.2!) USER MOD Single : A 85 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= -0.0183 K(o=-0.018,f=-1.3) USER MOD Single : A 93 THR OG1 : rot 161:sc= 0.0655 USER MOD Single : A 98 ASN : amide:sc=-0.000562 X(o=-0.00056,f=-0.44) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0327 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.235 8.306 19.619 1.00 42.23 N ATOM 2 CA GLU A 1 11.251 7.778 18.716 1.00 71.14 C ATOM 3 C GLU A 1 10.665 6.699 17.809 1.00 11.02 C ATOM 4 O GLU A 1 10.056 5.740 18.282 1.00 65.12 O ATOM 5 CB GLU A 1 12.426 7.207 19.512 1.00 42.31 C ATOM 6 CG GLU A 1 13.125 8.235 20.386 1.00 22.11 C ATOM 7 CD GLU A 1 14.636 8.165 20.274 1.00 12.12 C ATOM 8 OE1 GLU A 1 15.171 7.044 20.152 1.00 22.35 O ATOM 9 OE2 GLU A 1 15.282 9.233 20.308 1.00 5.12 O ATOM 0 H1 GLU A 1 10.612 9.138 20.117 1.00 42.23 H new ATOM 0 H2 GLU A 1 9.394 8.581 19.072 1.00 42.23 H new ATOM 0 H3 GLU A 1 9.974 7.576 20.312 1.00 42.23 H new ATOM 0 HA GLU A 1 11.608 8.598 18.093 1.00 71.14 H new ATOM 0 HB2 GLU A 1 12.067 6.392 20.140 1.00 42.31 H new ATOM 0 HB3 GLU A 1 13.150 6.779 18.819 1.00 42.31 H new ATOM 0 HG2 GLU A 1 12.789 9.233 20.105 1.00 22.11 H new ATOM 0 HG3 GLU A 1 12.834 8.081 21.425 1.00 22.11 H new ATOM 16 N ASN A 2 10.853 6.865 16.504 1.00 71.30 N ATOM 17 CA ASN A 2 10.342 5.906 15.530 1.00 4.35 C ATOM 18 C ASN A 2 11.285 4.714 15.395 1.00 51.22 C ATOM 19 O ASN A 2 10.852 3.597 15.113 1.00 74.33 O ATOM 20 CB ASN A 2 10.155 6.580 14.170 1.00 45.43 C ATOM 21 CG ASN A 2 8.856 7.357 14.083 1.00 51.20 C ATOM 22 OD1 ASN A 2 7.873 6.883 13.512 1.00 4.33 O ATOM 23 ND2 ASN A 2 8.846 8.558 14.650 1.00 35.23 N ATOM 0 H ASN A 2 11.355 7.654 16.096 1.00 71.30 H new ATOM 0 HA ASN A 2 9.377 5.545 15.884 1.00 4.35 H new ATOM 0 HB2 ASN A 2 10.991 7.254 13.984 1.00 45.43 H new ATOM 0 HB3 ASN A 2 10.175 5.823 13.386 1.00 45.43 H new ATOM 0 HD21 ASN A 2 8.000 9.128 14.623 1.00 35.23 H new ATOM 0 HD22 ASN A 2 9.684 8.911 15.112 1.00 35.23 H new ATOM 30 N ILE A 3 12.575 4.961 15.598 1.00 34.32 N ATOM 31 CA ILE A 3 13.578 3.908 15.500 1.00 33.33 C ATOM 32 C ILE A 3 13.650 3.347 14.084 1.00 43.51 C ATOM 33 O ILE A 3 12.763 2.613 13.650 1.00 72.04 O ATOM 34 CB ILE A 3 13.284 2.757 16.481 1.00 55.11 C ATOM 35 CG1 ILE A 3 13.030 3.307 17.886 1.00 42.51 C ATOM 36 CG2 ILE A 3 14.437 1.765 16.495 1.00 51.03 C ATOM 37 CD1 ILE A 3 12.657 2.243 18.894 1.00 64.12 C ATOM 0 H ILE A 3 12.950 5.881 15.831 1.00 34.32 H new ATOM 0 HA ILE A 3 14.536 4.360 15.759 1.00 33.33 H new ATOM 0 HB ILE A 3 12.386 2.236 16.148 1.00 55.11 H new ATOM 0 HG12 ILE A 3 13.924 3.825 18.231 1.00 42.51 H new ATOM 0 HG13 ILE A 3 12.231 4.047 17.839 1.00 42.51 H new ATOM 0 HG21 ILE A 3 14.214 0.958 17.193 1.00 51.03 H new ATOM 0 HG22 ILE A 3 14.574 1.353 15.495 1.00 51.03 H new ATOM 0 HG23 ILE A 3 15.350 2.272 16.807 1.00 51.03 H new ATOM 0 HD11 ILE A 3 12.492 2.706 19.867 1.00 64.12 H new ATOM 0 HD12 ILE A 3 11.745 1.740 18.572 1.00 64.12 H new ATOM 0 HD13 ILE A 3 13.465 1.515 18.971 1.00 64.12 H new ATOM 49 N ASP A 4 14.714 3.698 13.369 1.00 33.31 N ATOM 50 CA ASP A 4 14.905 3.228 12.002 1.00 74.32 C ATOM 51 C ASP A 4 13.749 3.669 11.109 1.00 33.43 C ATOM 52 O ASP A 4 12.726 2.989 11.021 1.00 15.13 O ATOM 53 CB ASP A 4 15.032 1.704 11.977 1.00 72.31 C ATOM 54 CG ASP A 4 15.635 1.194 10.683 1.00 41.23 C ATOM 55 OD1 ASP A 4 16.461 1.918 10.089 1.00 65.43 O ATOM 56 OD2 ASP A 4 15.280 0.072 10.263 1.00 3.44 O ATOM 0 H ASP A 4 15.457 4.306 13.714 1.00 33.31 H new ATOM 0 HA ASP A 4 15.825 3.668 11.618 1.00 74.32 H new ATOM 0 HB2 ASP A 4 15.650 1.380 12.815 1.00 72.31 H new ATOM 0 HB3 ASP A 4 14.047 1.258 12.116 1.00 72.31 H new ATOM 61 N ILE A 5 13.919 4.810 10.450 1.00 33.15 N ATOM 62 CA ILE A 5 12.890 5.341 9.565 1.00 33.12 C ATOM 63 C ILE A 5 13.404 5.462 8.135 1.00 42.02 C ATOM 64 O ILE A 5 14.603 5.622 7.905 1.00 5.33 O ATOM 65 CB ILE A 5 12.396 6.720 10.040 1.00 51.43 C ATOM 66 CG1 ILE A 5 13.584 7.639 10.332 1.00 22.23 C ATOM 67 CG2 ILE A 5 11.517 6.573 11.273 1.00 62.02 C ATOM 68 CD1 ILE A 5 13.180 9.023 10.789 1.00 30.13 C ATOM 0 H ILE A 5 14.760 5.384 10.512 1.00 33.15 H new ATOM 0 HA ILE A 5 12.058 4.638 9.591 1.00 33.12 H new ATOM 0 HB ILE A 5 11.800 7.169 9.245 1.00 51.43 H new ATOM 0 HG12 ILE A 5 14.208 7.180 11.099 1.00 22.23 H new ATOM 0 HG13 ILE A 5 14.195 7.726 9.434 1.00 22.23 H new ATOM 0 HG21 ILE A 5 11.176 7.557 11.596 1.00 62.02 H new ATOM 0 HG22 ILE A 5 10.655 5.951 11.033 1.00 62.02 H new ATOM 0 HG23 ILE A 5 12.090 6.106 12.074 1.00 62.02 H new ATOM 0 HD11 ILE A 5 14.073 9.619 10.977 1.00 30.13 H new ATOM 0 HD12 ILE A 5 12.581 9.502 10.014 1.00 30.13 H new ATOM 0 HD13 ILE A 5 12.594 8.947 11.705 1.00 30.13 H new ATOM 80 N THR A 6 12.489 5.386 7.174 1.00 55.12 N ATOM 81 CA THR A 6 12.849 5.488 5.765 1.00 34.23 C ATOM 82 C THR A 6 12.626 6.902 5.242 1.00 71.04 C ATOM 83 O THR A 6 12.417 7.106 4.046 1.00 51.24 O ATOM 84 CB THR A 6 12.037 4.500 4.905 1.00 3.43 C ATOM 85 OG1 THR A 6 12.533 4.499 3.562 1.00 71.11 O ATOM 86 CG2 THR A 6 10.561 4.868 4.906 1.00 2.32 C ATOM 0 H THR A 6 11.492 5.254 7.346 1.00 55.12 H new ATOM 0 HA THR A 6 13.907 5.239 5.690 1.00 34.23 H new ATOM 0 HB THR A 6 12.146 3.504 5.333 1.00 3.43 H new ATOM 0 HG1 THR A 6 12.665 5.422 3.261 1.00 71.11 H new ATOM 0 HG21 THR A 6 10.008 4.157 4.292 1.00 2.32 H new ATOM 0 HG22 THR A 6 10.180 4.840 5.927 1.00 2.32 H new ATOM 0 HG23 THR A 6 10.436 5.872 4.499 1.00 2.32 H new ATOM 94 N VAL A 7 12.672 7.877 6.144 1.00 25.43 N ATOM 95 CA VAL A 7 12.478 9.273 5.773 1.00 75.14 C ATOM 96 C VAL A 7 13.677 9.808 4.998 1.00 11.15 C ATOM 97 O VAL A 7 14.791 9.863 5.520 1.00 72.04 O ATOM 98 CB VAL A 7 12.245 10.157 7.012 1.00 33.45 C ATOM 99 CG1 VAL A 7 12.074 11.612 6.606 1.00 14.43 C ATOM 100 CG2 VAL A 7 11.036 9.667 7.795 1.00 12.35 C ATOM 0 H VAL A 7 12.842 7.725 7.138 1.00 25.43 H new ATOM 0 HA VAL A 7 11.593 9.311 5.138 1.00 75.14 H new ATOM 0 HB VAL A 7 13.121 10.086 7.657 1.00 33.45 H new ATOM 0 HG11 VAL A 7 11.910 12.221 7.495 1.00 14.43 H new ATOM 0 HG12 VAL A 7 12.972 11.954 6.092 1.00 14.43 H new ATOM 0 HG13 VAL A 7 11.217 11.705 5.939 1.00 14.43 H new ATOM 0 HG21 VAL A 7 10.885 10.303 8.667 1.00 12.35 H new ATOM 0 HG22 VAL A 7 10.151 9.707 7.160 1.00 12.35 H new ATOM 0 HG23 VAL A 7 11.204 8.640 8.119 1.00 12.35 H new ATOM 110 N SER A 8 13.441 10.203 3.751 1.00 22.42 N ATOM 111 CA SER A 8 14.503 10.731 2.903 1.00 1.00 C ATOM 112 C SER A 8 14.933 12.118 3.372 1.00 65.42 C ATOM 113 O SER A 8 16.069 12.535 3.149 1.00 42.54 O ATOM 114 CB SER A 8 14.038 10.794 1.447 1.00 51.11 C ATOM 115 OG SER A 8 15.127 10.628 0.556 1.00 43.21 O ATOM 0 H SER A 8 12.524 10.167 3.306 1.00 22.42 H new ATOM 0 HA SER A 8 15.359 10.060 2.975 1.00 1.00 H new ATOM 0 HB2 SER A 8 13.294 10.018 1.266 1.00 51.11 H new ATOM 0 HB3 SER A 8 13.552 11.751 1.258 1.00 51.11 H new ATOM 0 HG SER A 8 14.803 10.671 -0.368 1.00 43.21 H new ATOM 121 N ALA A 9 14.017 12.826 4.023 1.00 52.11 N ATOM 122 CA ALA A 9 14.301 14.165 4.525 1.00 33.44 C ATOM 123 C ALA A 9 14.595 15.129 3.382 1.00 50.33 C ATOM 124 O ALA A 9 14.462 14.777 2.210 1.00 21.12 O ATOM 125 CB ALA A 9 15.469 14.126 5.500 1.00 73.14 C ATOM 0 H ALA A 9 13.072 12.495 4.215 1.00 52.11 H new ATOM 0 HA ALA A 9 13.416 14.525 5.050 1.00 33.44 H new ATOM 0 HB1 ALA A 9 15.670 15.132 5.867 1.00 73.14 H new ATOM 0 HB2 ALA A 9 15.221 13.476 6.339 1.00 73.14 H new ATOM 0 HB3 ALA A 9 16.354 13.741 4.993 1.00 73.14 H new ATOM 131 N ALA A 10 14.995 16.348 3.730 1.00 53.12 N ATOM 132 CA ALA A 10 15.309 17.363 2.732 1.00 51.10 C ATOM 133 C ALA A 10 16.174 18.469 3.327 1.00 22.31 C ATOM 134 O ALA A 10 17.365 18.567 3.031 1.00 45.34 O ATOM 135 CB ALA A 10 14.029 17.946 2.151 1.00 2.55 C ATOM 0 H ALA A 10 15.109 16.656 4.696 1.00 53.12 H new ATOM 0 HA ALA A 10 15.874 16.887 1.931 1.00 51.10 H new ATOM 0 HB1 ALA A 10 14.279 18.703 1.407 1.00 2.55 H new ATOM 0 HB2 ALA A 10 13.448 17.152 1.681 1.00 2.55 H new ATOM 0 HB3 ALA A 10 13.442 18.401 2.949 1.00 2.55 H new ATOM 141 N THR A 11 15.568 19.300 4.169 1.00 52.45 N ATOM 142 CA THR A 11 16.282 20.400 4.804 1.00 43.31 C ATOM 143 C THR A 11 15.389 21.135 5.797 1.00 4.20 C ATOM 144 O THR A 11 14.432 21.805 5.409 1.00 54.43 O ATOM 145 CB THR A 11 16.807 21.406 3.762 1.00 65.44 C ATOM 146 OG1 THR A 11 17.291 22.583 4.417 1.00 4.11 O ATOM 147 CG2 THR A 11 15.714 21.782 2.774 1.00 54.22 C ATOM 0 H THR A 11 14.584 19.232 4.427 1.00 52.45 H new ATOM 0 HA THR A 11 17.128 19.962 5.334 1.00 43.31 H new ATOM 0 HB THR A 11 17.623 20.935 3.214 1.00 65.44 H new ATOM 0 HG1 THR A 11 17.624 23.216 3.747 1.00 4.11 H new ATOM 0 HG21 THR A 11 16.108 22.493 2.048 1.00 54.22 H new ATOM 0 HG22 THR A 11 15.369 20.888 2.255 1.00 54.22 H new ATOM 0 HG23 THR A 11 14.880 22.235 3.309 1.00 54.22 H new ATOM 155 N LEU A 12 15.709 21.006 7.080 1.00 14.50 N ATOM 156 CA LEU A 12 14.935 21.660 8.130 1.00 20.22 C ATOM 157 C LEU A 12 15.561 22.996 8.516 1.00 11.14 C ATOM 158 O LEU A 12 16.703 23.049 8.974 1.00 54.14 O ATOM 159 CB LEU A 12 14.840 20.754 9.359 1.00 11.13 C ATOM 160 CG LEU A 12 13.474 20.692 10.043 1.00 75.31 C ATOM 161 CD1 LEU A 12 12.468 19.968 9.161 1.00 30.21 C ATOM 162 CD2 LEU A 12 13.586 20.009 11.398 1.00 30.12 C ATOM 0 H LEU A 12 16.498 20.455 7.418 1.00 14.50 H new ATOM 0 HA LEU A 12 13.932 21.848 7.746 1.00 20.22 H new ATOM 0 HB2 LEU A 12 15.122 19.744 9.063 1.00 11.13 H new ATOM 0 HB3 LEU A 12 15.575 21.089 10.090 1.00 11.13 H new ATOM 0 HG LEU A 12 13.122 21.711 10.200 1.00 75.31 H new ATOM 0 HD11 LEU A 12 11.502 19.933 9.664 1.00 30.21 H new ATOM 0 HD12 LEU A 12 12.366 20.499 8.214 1.00 30.21 H new ATOM 0 HD13 LEU A 12 12.815 18.952 8.972 1.00 30.21 H new ATOM 0 HD21 LEU A 12 12.604 19.974 11.870 1.00 30.12 H new ATOM 0 HD22 LEU A 12 13.961 18.994 11.264 1.00 30.12 H new ATOM 0 HD23 LEU A 12 14.274 20.569 12.032 1.00 30.12 H new ATOM 174 N SER A 13 14.805 24.073 8.331 1.00 13.43 N ATOM 175 CA SER A 13 15.286 25.410 8.659 1.00 52.52 C ATOM 176 C SER A 13 14.530 25.982 9.855 1.00 64.21 C ATOM 177 O SER A 13 15.131 26.535 10.776 1.00 42.33 O ATOM 178 CB SER A 13 15.133 26.340 7.453 1.00 12.03 C ATOM 179 OG SER A 13 16.179 27.295 7.410 1.00 71.04 O ATOM 0 H SER A 13 13.857 24.046 7.956 1.00 13.43 H new ATOM 0 HA SER A 13 16.342 25.335 8.920 1.00 52.52 H new ATOM 0 HB2 SER A 13 15.134 25.753 6.535 1.00 12.03 H new ATOM 0 HB3 SER A 13 14.172 26.851 7.503 1.00 12.03 H new ATOM 0 HG SER A 13 16.060 27.876 6.630 1.00 71.04 H new ATOM 185 N SER A 14 13.209 25.843 9.833 1.00 13.02 N ATOM 186 CA SER A 14 12.369 26.348 10.913 1.00 2.22 C ATOM 187 C SER A 14 11.097 25.517 11.047 1.00 70.23 C ATOM 188 O SER A 14 10.591 24.975 10.064 1.00 54.24 O ATOM 189 CB SER A 14 12.010 27.815 10.665 1.00 21.43 C ATOM 190 OG SER A 14 10.972 28.239 11.532 1.00 43.01 O ATOM 0 H SER A 14 12.697 25.385 9.079 1.00 13.02 H new ATOM 0 HA SER A 14 12.932 26.271 11.843 1.00 2.22 H new ATOM 0 HB2 SER A 14 12.891 28.439 10.815 1.00 21.43 H new ATOM 0 HB3 SER A 14 11.699 27.947 9.629 1.00 21.43 H new ATOM 0 HG SER A 14 10.762 29.180 11.355 1.00 43.01 H new ATOM 196 N ILE A 15 10.586 25.421 12.270 1.00 63.34 N ATOM 197 CA ILE A 15 9.373 24.657 12.532 1.00 20.33 C ATOM 198 C ILE A 15 8.357 25.488 13.309 1.00 64.22 C ATOM 199 O ILE A 15 8.722 26.410 14.039 1.00 62.44 O ATOM 200 CB ILE A 15 9.678 23.370 13.322 1.00 11.10 C ATOM 201 CG1 ILE A 15 10.893 22.656 12.727 1.00 44.41 C ATOM 202 CG2 ILE A 15 8.466 22.451 13.325 1.00 72.42 C ATOM 203 CD1 ILE A 15 10.748 22.341 11.255 1.00 42.34 C ATOM 0 H ILE A 15 10.993 25.863 13.094 1.00 63.34 H new ATOM 0 HA ILE A 15 8.954 24.388 11.562 1.00 20.33 H new ATOM 0 HB ILE A 15 9.908 23.640 14.353 1.00 11.10 H new ATOM 0 HG12 ILE A 15 11.776 23.278 12.872 1.00 44.41 H new ATOM 0 HG13 ILE A 15 11.063 21.728 13.274 1.00 44.41 H new ATOM 0 HG21 ILE A 15 8.697 21.546 13.887 1.00 72.42 H new ATOM 0 HG22 ILE A 15 7.623 22.962 13.790 1.00 72.42 H new ATOM 0 HG23 ILE A 15 8.208 22.186 12.300 1.00 72.42 H new ATOM 0 HD11 ILE A 15 11.646 21.835 10.901 1.00 42.34 H new ATOM 0 HD12 ILE A 15 9.884 21.694 11.105 1.00 42.34 H new ATOM 0 HD13 ILE A 15 10.609 23.267 10.697 1.00 42.34 H new ATOM 215 N SER A 16 7.081 25.154 13.148 1.00 51.12 N ATOM 216 CA SER A 16 6.011 25.871 13.832 1.00 22.12 C ATOM 217 C SER A 16 5.114 24.904 14.600 1.00 42.53 C ATOM 218 O SER A 16 4.734 23.852 14.085 1.00 14.43 O ATOM 219 CB SER A 16 5.178 26.668 12.827 1.00 43.42 C ATOM 220 OG SER A 16 5.530 28.041 12.849 1.00 53.14 O ATOM 0 H SER A 16 6.763 24.392 12.550 1.00 51.12 H new ATOM 0 HA SER A 16 6.466 26.561 14.543 1.00 22.12 H new ATOM 0 HB2 SER A 16 5.329 26.266 11.825 1.00 43.42 H new ATOM 0 HB3 SER A 16 4.119 26.557 13.059 1.00 43.42 H new ATOM 0 HG SER A 16 4.985 28.529 12.197 1.00 53.14 H new ATOM 226 N ILE A 17 4.781 25.269 15.833 1.00 13.50 N ATOM 227 CA ILE A 17 3.928 24.436 16.672 1.00 50.24 C ATOM 228 C ILE A 17 2.659 25.179 17.075 1.00 52.24 C ATOM 229 O ILE A 17 2.688 26.382 17.337 1.00 73.45 O ATOM 230 CB ILE A 17 4.666 23.976 17.943 1.00 74.12 C ATOM 231 CG1 ILE A 17 6.082 23.511 17.597 1.00 75.51 C ATOM 232 CG2 ILE A 17 3.890 22.863 18.632 1.00 52.14 C ATOM 233 CD1 ILE A 17 7.151 24.524 17.938 1.00 0.32 C ATOM 0 H ILE A 17 5.089 26.136 16.274 1.00 13.50 H new ATOM 0 HA ILE A 17 3.661 23.561 16.080 1.00 50.24 H new ATOM 0 HB ILE A 17 4.739 24.820 18.629 1.00 74.12 H new ATOM 0 HG12 ILE A 17 6.291 22.582 18.128 1.00 75.51 H new ATOM 0 HG13 ILE A 17 6.132 23.287 16.531 1.00 75.51 H new ATOM 0 HG21 ILE A 17 4.424 22.548 19.529 1.00 52.14 H new ATOM 0 HG22 ILE A 17 2.900 23.227 18.908 1.00 52.14 H new ATOM 0 HG23 ILE A 17 3.789 22.016 17.954 1.00 52.14 H new ATOM 0 HD11 ILE A 17 8.129 24.127 17.666 1.00 0.32 H new ATOM 0 HD12 ILE A 17 6.967 25.446 17.387 1.00 0.32 H new ATOM 0 HD13 ILE A 17 7.129 24.730 19.008 1.00 0.32 H new ATOM 245 N SER A 18 1.546 24.454 17.124 1.00 53.30 N ATOM 246 CA SER A 18 0.265 25.045 17.494 1.00 73.24 C ATOM 247 C SER A 18 -0.381 24.270 18.639 1.00 65.04 C ATOM 248 O SER A 18 -1.405 23.608 18.474 1.00 34.21 O ATOM 249 CB SER A 18 -0.676 25.071 16.287 1.00 3.41 C ATOM 250 OG SER A 18 -0.535 26.278 15.558 1.00 52.25 O ATOM 0 H SER A 18 1.505 23.457 16.912 1.00 53.30 H new ATOM 0 HA SER A 18 0.447 26.067 17.827 1.00 73.24 H new ATOM 0 HB2 SER A 18 -0.463 24.223 15.637 1.00 3.41 H new ATOM 0 HB3 SER A 18 -1.707 24.964 16.623 1.00 3.41 H new ATOM 0 HG SER A 18 -1.145 26.270 14.791 1.00 52.25 H new ATOM 256 N PRO A 19 0.233 24.354 19.828 1.00 22.43 N ATOM 257 CA PRO A 19 -0.263 23.668 21.025 1.00 70.30 C ATOM 258 C PRO A 19 -1.563 24.273 21.543 1.00 11.21 C ATOM 259 O PRO A 19 -1.857 25.442 21.293 1.00 50.54 O ATOM 260 CB PRO A 19 0.863 23.869 22.042 1.00 42.01 C ATOM 261 CG PRO A 19 1.558 25.110 21.597 1.00 33.23 C ATOM 262 CD PRO A 19 1.459 25.125 20.097 1.00 74.21 C ATOM 0 HA PRO A 19 -0.496 22.622 20.828 1.00 70.30 H new ATOM 0 HB2 PRO A 19 0.469 23.976 23.053 1.00 42.01 H new ATOM 0 HB3 PRO A 19 1.543 23.017 22.054 1.00 42.01 H new ATOM 0 HG2 PRO A 19 1.090 25.995 22.028 1.00 33.23 H new ATOM 0 HG3 PRO A 19 2.599 25.111 21.919 1.00 33.23 H new ATOM 0 HD2 PRO A 19 1.388 26.141 19.709 1.00 74.21 H new ATOM 0 HD3 PRO A 19 2.332 24.667 19.632 1.00 74.21 H new ATOM 270 N ILE A 20 -2.337 23.471 22.266 1.00 31.00 N ATOM 271 CA ILE A 20 -3.605 23.929 22.820 1.00 1.33 C ATOM 272 C ILE A 20 -3.771 23.471 24.265 1.00 3.34 C ATOM 273 O ILE A 20 -3.709 22.279 24.560 1.00 62.41 O ATOM 274 CB ILE A 20 -4.799 23.419 21.992 1.00 42.42 C ATOM 275 CG1 ILE A 20 -4.631 23.810 20.522 1.00 74.01 C ATOM 276 CG2 ILE A 20 -6.103 23.972 22.547 1.00 32.40 C ATOM 277 CD1 ILE A 20 -4.231 22.655 19.631 1.00 32.54 C ATOM 0 H ILE A 20 -2.108 22.501 22.482 1.00 31.00 H new ATOM 0 HA ILE A 20 -3.589 25.018 22.786 1.00 1.33 H new ATOM 0 HB ILE A 20 -4.831 22.331 22.058 1.00 42.42 H new ATOM 0 HG12 ILE A 20 -5.568 24.232 20.157 1.00 74.01 H new ATOM 0 HG13 ILE A 20 -3.878 24.594 20.447 1.00 74.01 H new ATOM 0 HG21 ILE A 20 -6.938 23.603 21.951 1.00 32.40 H new ATOM 0 HG22 ILE A 20 -6.224 23.649 23.581 1.00 32.40 H new ATOM 0 HG23 ILE A 20 -6.083 25.061 22.507 1.00 32.40 H new ATOM 0 HD11 ILE A 20 -4.130 23.006 18.604 1.00 32.54 H new ATOM 0 HD12 ILE A 20 -3.279 22.247 19.970 1.00 32.54 H new ATOM 0 HD13 ILE A 20 -4.995 21.879 19.676 1.00 32.54 H new ATOM 289 N ASN A 21 -3.984 24.428 25.163 1.00 44.21 N ATOM 290 CA ASN A 21 -4.160 24.123 26.578 1.00 11.11 C ATOM 291 C ASN A 21 -5.569 23.605 26.851 1.00 22.23 C ATOM 292 O ASN A 21 -6.536 24.367 26.844 1.00 41.25 O ATOM 293 CB ASN A 21 -3.889 25.367 27.427 1.00 64.20 C ATOM 294 CG ASN A 21 -2.841 26.272 26.808 1.00 30.10 C ATOM 295 OD1 ASN A 21 -3.046 27.479 26.679 1.00 64.02 O ATOM 296 ND2 ASN A 21 -1.711 25.691 26.422 1.00 72.14 N ATOM 0 H ASN A 21 -4.039 25.421 24.936 1.00 44.21 H new ATOM 0 HA ASN A 21 -3.446 23.344 26.848 1.00 11.11 H new ATOM 0 HB2 ASN A 21 -4.817 25.925 27.556 1.00 64.20 H new ATOM 0 HB3 ASN A 21 -3.560 25.061 28.420 1.00 64.20 H new ATOM 0 HD21 ASN A 21 -0.969 26.249 25.999 1.00 72.14 H new ATOM 0 HD22 ASN A 21 -1.585 24.687 26.549 1.00 72.14 H new ATOM 303 N THR A 22 -5.678 22.302 27.094 1.00 44.15 N ATOM 304 CA THR A 22 -6.967 21.681 27.369 1.00 60.03 C ATOM 305 C THR A 22 -6.901 20.807 28.616 1.00 72.22 C ATOM 306 O THR A 22 -5.825 20.377 29.027 1.00 23.53 O ATOM 307 CB THR A 22 -7.443 20.825 26.180 1.00 32.21 C ATOM 308 OG1 THR A 22 -6.770 21.231 24.983 1.00 31.21 O ATOM 309 CG2 THR A 22 -8.947 20.952 25.990 1.00 32.31 C ATOM 0 H THR A 22 -4.888 21.657 27.106 1.00 44.15 H new ATOM 0 HA THR A 22 -7.679 22.490 27.533 1.00 60.03 H new ATOM 0 HB THR A 22 -7.206 19.783 26.393 1.00 32.21 H new ATOM 0 HG1 THR A 22 -7.077 20.681 24.232 1.00 31.21 H new ATOM 0 HG21 THR A 22 -9.260 20.339 25.145 1.00 32.31 H new ATOM 0 HG22 THR A 22 -9.457 20.614 26.892 1.00 32.31 H new ATOM 0 HG23 THR A 22 -9.203 21.994 25.797 1.00 32.31 H new ATOM 317 N ASN A 23 -8.060 20.548 29.213 1.00 61.41 N ATOM 318 CA ASN A 23 -8.133 19.724 30.414 1.00 33.31 C ATOM 319 C ASN A 23 -8.962 18.468 30.163 1.00 72.25 C ATOM 320 O ASN A 23 -10.010 18.522 29.517 1.00 3.34 O ATOM 321 CB ASN A 23 -8.737 20.524 31.570 1.00 21.43 C ATOM 322 CG ASN A 23 -8.198 21.940 31.637 1.00 74.33 C ATOM 323 OD1 ASN A 23 -8.953 22.894 31.826 1.00 44.22 O ATOM 324 ND2 ASN A 23 -6.887 22.082 31.481 1.00 73.13 N ATOM 0 H ASN A 23 -8.961 20.897 28.885 1.00 61.41 H new ATOM 0 HA ASN A 23 -7.120 19.422 30.679 1.00 33.31 H new ATOM 0 HB2 ASN A 23 -9.821 20.556 31.459 1.00 21.43 H new ATOM 0 HB3 ASN A 23 -8.528 20.014 32.510 1.00 21.43 H new ATOM 0 HD21 ASN A 23 -6.467 23.011 31.516 1.00 73.13 H new ATOM 0 HD22 ASN A 23 -6.300 21.262 31.327 1.00 73.13 H new ATOM 331 N ILE A 24 -8.486 17.339 30.676 1.00 33.35 N ATOM 332 CA ILE A 24 -9.184 16.070 30.509 1.00 12.01 C ATOM 333 C ILE A 24 -9.123 15.236 31.784 1.00 2.45 C ATOM 334 O ILE A 24 -8.213 15.394 32.598 1.00 73.13 O ATOM 335 CB ILE A 24 -8.594 15.252 29.346 1.00 64.14 C ATOM 336 CG1 ILE A 24 -7.112 14.963 29.597 1.00 73.30 C ATOM 337 CG2 ILE A 24 -8.778 15.993 28.030 1.00 73.13 C ATOM 338 CD1 ILE A 24 -6.868 13.677 30.355 1.00 21.30 C ATOM 0 H ILE A 24 -7.620 17.277 31.211 1.00 33.35 H new ATOM 0 HA ILE A 24 -10.223 16.310 30.284 1.00 12.01 H new ATOM 0 HB ILE A 24 -9.125 14.302 29.284 1.00 64.14 H new ATOM 0 HG12 ILE A 24 -6.592 14.916 28.640 1.00 73.30 H new ATOM 0 HG13 ILE A 24 -6.678 15.792 30.155 1.00 73.30 H new ATOM 0 HG21 ILE A 24 -8.356 15.402 27.217 1.00 73.13 H new ATOM 0 HG22 ILE A 24 -9.841 16.153 27.848 1.00 73.13 H new ATOM 0 HG23 ILE A 24 -8.270 16.956 28.080 1.00 73.13 H new ATOM 0 HD11 ILE A 24 -5.797 13.536 30.497 1.00 21.30 H new ATOM 0 HD12 ILE A 24 -7.359 13.729 31.327 1.00 21.30 H new ATOM 0 HD13 ILE A 24 -7.272 12.838 29.788 1.00 21.30 H new ATOM 350 N ASN A 25 -10.097 14.347 31.951 1.00 3.43 N ATOM 351 CA ASN A 25 -10.153 13.487 33.128 1.00 41.15 C ATOM 352 C ASN A 25 -10.463 12.046 32.733 1.00 14.33 C ATOM 353 O ASN A 25 -10.896 11.776 31.612 1.00 0.42 O ATOM 354 CB ASN A 25 -11.210 13.998 34.109 1.00 43.11 C ATOM 355 CG ASN A 25 -11.155 13.280 35.443 1.00 2.04 C ATOM 356 OD1 ASN A 25 -12.176 12.824 35.958 1.00 10.32 O ATOM 357 ND2 ASN A 25 -9.958 13.176 36.010 1.00 15.35 N ATOM 0 H ASN A 25 -10.858 14.203 31.287 1.00 3.43 H new ATOM 0 HA ASN A 25 -9.177 13.511 33.612 1.00 41.15 H new ATOM 0 HB2 ASN A 25 -11.067 15.067 34.269 1.00 43.11 H new ATOM 0 HB3 ASN A 25 -12.200 13.870 33.671 1.00 43.11 H new ATOM 0 HD21 ASN A 25 -9.859 12.703 36.908 1.00 15.35 H new ATOM 0 HD22 ASN A 25 -9.138 13.569 35.547 1.00 15.35 H new ATOM 364 N THR A 26 -10.240 11.123 33.663 1.00 31.32 N ATOM 365 CA THR A 26 -10.495 9.710 33.414 1.00 71.43 C ATOM 366 C THR A 26 -9.547 9.158 32.355 1.00 3.42 C ATOM 367 O THR A 26 -9.910 8.273 31.581 1.00 75.34 O ATOM 368 CB THR A 26 -11.948 9.473 32.959 1.00 65.42 C ATOM 369 OG1 THR A 26 -12.829 10.367 33.647 1.00 23.14 O ATOM 370 CG2 THR A 26 -12.369 8.035 33.222 1.00 70.34 C ATOM 0 H THR A 26 -9.883 11.329 34.596 1.00 31.32 H new ATOM 0 HA THR A 26 -10.327 9.188 34.356 1.00 71.43 H new ATOM 0 HB THR A 26 -12.005 9.662 31.887 1.00 65.42 H new ATOM 0 HG1 THR A 26 -13.750 10.211 33.351 1.00 23.14 H new ATOM 0 HG21 THR A 26 -13.398 7.891 32.893 1.00 70.34 H new ATOM 0 HG22 THR A 26 -11.714 7.358 32.673 1.00 70.34 H new ATOM 0 HG23 THR A 26 -12.297 7.824 34.289 1.00 70.34 H new ATOM 378 N THR A 27 -8.327 9.687 32.327 1.00 51.03 N ATOM 379 CA THR A 27 -7.326 9.248 31.363 1.00 51.03 C ATOM 380 C THR A 27 -7.776 9.534 29.934 1.00 4.25 C ATOM 381 O THR A 27 -8.639 8.842 29.394 1.00 4.21 O ATOM 382 CB THR A 27 -7.032 7.743 31.504 1.00 21.34 C ATOM 383 OG1 THR A 27 -6.696 7.435 32.862 1.00 61.11 O ATOM 384 CG2 THR A 27 -5.892 7.325 30.587 1.00 11.54 C ATOM 0 H THR A 27 -8.009 10.420 32.961 1.00 51.03 H new ATOM 0 HA THR A 27 -6.416 9.810 31.575 1.00 51.03 H new ATOM 0 HB THR A 27 -7.928 7.192 31.217 1.00 21.34 H new ATOM 0 HG1 THR A 27 -6.512 6.476 32.944 1.00 61.11 H new ATOM 0 HG21 THR A 27 -5.703 6.258 30.705 1.00 11.54 H new ATOM 0 HG22 THR A 27 -6.162 7.534 29.552 1.00 11.54 H new ATOM 0 HG23 THR A 27 -4.993 7.883 30.847 1.00 11.54 H new ATOM 392 N VAL A 28 -7.185 10.558 29.327 1.00 43.21 N ATOM 393 CA VAL A 28 -7.523 10.935 27.960 1.00 73.34 C ATOM 394 C VAL A 28 -6.293 11.423 27.203 1.00 21.23 C ATOM 395 O VAL A 28 -5.321 11.878 27.806 1.00 12.41 O ATOM 396 CB VAL A 28 -8.600 12.036 27.931 1.00 31.40 C ATOM 397 CG1 VAL A 28 -9.176 12.184 26.531 1.00 63.52 C ATOM 398 CG2 VAL A 28 -9.699 11.732 28.939 1.00 44.23 C ATOM 0 H VAL A 28 -6.470 11.141 29.761 1.00 43.21 H new ATOM 0 HA VAL A 28 -7.914 10.041 27.474 1.00 73.34 H new ATOM 0 HB VAL A 28 -8.135 12.982 28.208 1.00 31.40 H new ATOM 0 HG11 VAL A 28 -9.935 12.966 26.531 1.00 63.52 H new ATOM 0 HG12 VAL A 28 -8.380 12.451 25.836 1.00 63.52 H new ATOM 0 HG13 VAL A 28 -9.627 11.241 26.221 1.00 63.52 H new ATOM 0 HG21 VAL A 28 -10.452 12.520 28.905 1.00 44.23 H new ATOM 0 HG22 VAL A 28 -10.163 10.776 28.694 1.00 44.23 H new ATOM 0 HG23 VAL A 28 -9.271 11.682 29.940 1.00 44.23 H new ATOM 408 N SER A 29 -6.342 11.325 25.879 1.00 62.44 N ATOM 409 CA SER A 29 -5.229 11.753 25.039 1.00 54.12 C ATOM 410 C SER A 29 -5.504 13.126 24.433 1.00 42.13 C ATOM 411 O SER A 29 -6.630 13.432 24.042 1.00 75.45 O ATOM 412 CB SER A 29 -4.980 10.733 23.926 1.00 21.25 C ATOM 413 OG SER A 29 -6.197 10.322 23.329 1.00 74.21 O ATOM 0 H SER A 29 -7.140 10.953 25.364 1.00 62.44 H new ATOM 0 HA SER A 29 -4.339 11.822 25.665 1.00 54.12 H new ATOM 0 HB2 SER A 29 -4.329 11.169 23.168 1.00 21.25 H new ATOM 0 HB3 SER A 29 -4.460 9.866 24.333 1.00 21.25 H new ATOM 0 HG SER A 29 -6.164 9.360 23.148 1.00 74.21 H new ATOM 419 N LYS A 30 -4.465 13.951 24.358 1.00 1.22 N ATOM 420 CA LYS A 30 -4.591 15.292 23.799 1.00 24.03 C ATOM 421 C LYS A 30 -3.871 15.392 22.458 1.00 73.11 C ATOM 422 O LYS A 30 -2.674 15.121 22.364 1.00 14.44 O ATOM 423 CB LYS A 30 -4.023 16.328 24.773 1.00 75.24 C ATOM 424 CG LYS A 30 -5.063 16.912 25.714 1.00 71.55 C ATOM 425 CD LYS A 30 -6.131 17.683 24.956 1.00 61.53 C ATOM 426 CE LYS A 30 -7.529 17.246 25.364 1.00 14.04 C ATOM 427 NZ LYS A 30 -8.556 17.678 24.376 1.00 32.21 N ATOM 0 H LYS A 30 -3.526 13.714 24.678 1.00 1.22 H new ATOM 0 HA LYS A 30 -5.650 15.494 23.639 1.00 24.03 H new ATOM 0 HB2 LYS A 30 -3.231 15.865 25.362 1.00 75.24 H new ATOM 0 HB3 LYS A 30 -3.565 17.137 24.204 1.00 75.24 H new ATOM 0 HG2 LYS A 30 -5.529 16.109 26.286 1.00 71.55 H new ATOM 0 HG3 LYS A 30 -4.576 17.573 26.431 1.00 71.55 H new ATOM 0 HD2 LYS A 30 -6.013 18.750 25.144 1.00 61.53 H new ATOM 0 HD3 LYS A 30 -5.999 17.531 23.885 1.00 61.53 H new ATOM 0 HE2 LYS A 30 -7.555 16.161 25.464 1.00 14.04 H new ATOM 0 HE3 LYS A 30 -7.769 17.662 26.342 1.00 14.04 H new ATOM 0 HZ1 LYS A 30 -9.501 17.609 24.805 1.00 32.21 H new ATOM 0 HZ2 LYS A 30 -8.375 18.663 24.095 1.00 32.21 H new ATOM 0 HZ3 LYS A 30 -8.511 17.065 23.537 1.00 32.21 H new ATOM 441 N GLN A 31 -4.609 15.783 21.424 1.00 42.13 N ATOM 442 CA GLN A 31 -4.040 15.919 20.088 1.00 4.22 C ATOM 443 C GLN A 31 -3.628 17.362 19.816 1.00 12.43 C ATOM 444 O GLN A 31 -4.454 18.274 19.867 1.00 40.23 O ATOM 445 CB GLN A 31 -5.045 15.455 19.033 1.00 40.43 C ATOM 446 CG GLN A 31 -4.410 14.694 17.881 1.00 62.33 C ATOM 447 CD GLN A 31 -3.224 15.424 17.281 1.00 13.03 C ATOM 448 OE1 GLN A 31 -3.365 16.168 16.310 1.00 11.24 O ATOM 449 NE2 GLN A 31 -2.047 15.215 17.858 1.00 4.10 N ATOM 0 H GLN A 31 -5.601 16.011 21.485 1.00 42.13 H new ATOM 0 HA GLN A 31 -3.151 15.291 20.033 1.00 4.22 H new ATOM 0 HB2 GLN A 31 -5.792 14.820 19.509 1.00 40.43 H new ATOM 0 HB3 GLN A 31 -5.571 16.324 18.637 1.00 40.43 H new ATOM 0 HG2 GLN A 31 -4.088 13.714 18.232 1.00 62.33 H new ATOM 0 HG3 GLN A 31 -5.158 14.526 17.106 1.00 62.33 H new ATOM 0 HE21 GLN A 31 -1.976 14.590 18.661 1.00 4.10 H new ATOM 0 HE22 GLN A 31 -1.213 15.679 17.498 1.00 4.10 H new ATOM 458 N PHE A 32 -2.346 17.563 19.528 1.00 35.23 N ATOM 459 CA PHE A 32 -1.825 18.896 19.250 1.00 61.34 C ATOM 460 C PHE A 32 -1.581 19.083 17.755 1.00 71.10 C ATOM 461 O PHE A 32 -1.891 18.205 16.949 1.00 23.13 O ATOM 462 CB PHE A 32 -0.526 19.130 20.023 1.00 44.00 C ATOM 463 CG PHE A 32 -0.657 18.895 21.501 1.00 42.04 C ATOM 464 CD1 PHE A 32 -1.771 19.344 22.191 1.00 52.44 C ATOM 465 CD2 PHE A 32 0.334 18.224 22.200 1.00 52.34 C ATOM 466 CE1 PHE A 32 -1.894 19.130 23.550 1.00 1.15 C ATOM 467 CE2 PHE A 32 0.216 18.007 23.559 1.00 24.35 C ATOM 468 CZ PHE A 32 -0.900 18.459 24.236 1.00 44.45 C ATOM 0 H PHE A 32 -1.649 16.820 19.481 1.00 35.23 H new ATOM 0 HA PHE A 32 -2.568 19.625 19.573 1.00 61.34 H new ATOM 0 HB2 PHE A 32 0.247 18.472 19.626 1.00 44.00 H new ATOM 0 HB3 PHE A 32 -0.192 20.154 19.854 1.00 44.00 H new ATOM 0 HD1 PHE A 32 -2.552 19.867 21.660 1.00 52.44 H new ATOM 0 HD2 PHE A 32 1.208 17.867 21.676 1.00 52.34 H new ATOM 0 HE1 PHE A 32 -2.767 19.487 24.076 1.00 1.15 H new ATOM 0 HE2 PHE A 32 0.996 17.484 24.092 1.00 24.35 H new ATOM 0 HZ PHE A 32 -0.995 18.288 25.298 1.00 44.45 H new ATOM 478 N PHE A 33 -1.025 20.234 17.392 1.00 63.21 N ATOM 479 CA PHE A 33 -0.740 20.538 15.994 1.00 14.24 C ATOM 480 C PHE A 33 0.758 20.718 15.771 1.00 63.21 C ATOM 481 O PHE A 33 1.451 21.318 16.591 1.00 5.35 O ATOM 482 CB PHE A 33 -1.487 21.803 15.564 1.00 62.53 C ATOM 483 CG PHE A 33 -2.827 21.526 14.946 1.00 74.04 C ATOM 484 CD1 PHE A 33 -3.782 20.790 15.629 1.00 23.21 C ATOM 485 CD2 PHE A 33 -3.133 22.002 13.681 1.00 71.34 C ATOM 486 CE1 PHE A 33 -5.017 20.534 15.063 1.00 24.23 C ATOM 487 CE2 PHE A 33 -4.366 21.749 13.110 1.00 53.21 C ATOM 488 CZ PHE A 33 -5.309 21.013 13.802 1.00 43.45 C ATOM 0 H PHE A 33 -0.763 20.972 18.046 1.00 63.21 H new ATOM 0 HA PHE A 33 -1.081 19.698 15.388 1.00 14.24 H new ATOM 0 HB2 PHE A 33 -1.622 22.448 16.432 1.00 62.53 H new ATOM 0 HB3 PHE A 33 -0.873 22.353 14.851 1.00 62.53 H new ATOM 0 HD1 PHE A 33 -3.559 20.412 16.616 1.00 23.21 H new ATOM 0 HD2 PHE A 33 -2.400 22.577 13.135 1.00 71.34 H new ATOM 0 HE1 PHE A 33 -5.752 19.960 15.607 1.00 24.23 H new ATOM 0 HE2 PHE A 33 -4.592 22.126 12.124 1.00 53.21 H new ATOM 0 HZ PHE A 33 -6.273 20.813 13.357 1.00 43.45 H new ATOM 498 N ALA A 34 1.251 20.192 14.654 1.00 22.13 N ATOM 499 CA ALA A 34 2.667 20.295 14.321 1.00 35.23 C ATOM 500 C ALA A 34 2.863 20.533 12.828 1.00 2.00 C ATOM 501 O ALA A 34 2.386 19.759 11.998 1.00 42.54 O ATOM 502 CB ALA A 34 3.404 19.038 14.759 1.00 4.30 C ATOM 0 H ALA A 34 0.691 19.690 13.965 1.00 22.13 H new ATOM 0 HA ALA A 34 3.080 21.150 14.856 1.00 35.23 H new ATOM 0 HB1 ALA A 34 4.460 19.128 14.504 1.00 4.30 H new ATOM 0 HB2 ALA A 34 3.300 18.912 15.837 1.00 4.30 H new ATOM 0 HB3 ALA A 34 2.981 18.172 14.250 1.00 4.30 H new ATOM 508 N VAL A 35 3.568 21.609 12.493 1.00 63.12 N ATOM 509 CA VAL A 35 3.828 21.949 11.099 1.00 24.21 C ATOM 510 C VAL A 35 5.314 22.198 10.862 1.00 33.40 C ATOM 511 O VAL A 35 5.989 22.817 11.683 1.00 52.53 O ATOM 512 CB VAL A 35 3.035 23.197 10.668 1.00 31.32 C ATOM 513 CG1 VAL A 35 1.548 22.884 10.591 1.00 3.11 C ATOM 514 CG2 VAL A 35 3.297 24.350 11.625 1.00 54.45 C ATOM 0 H VAL A 35 3.969 22.260 13.168 1.00 63.12 H new ATOM 0 HA VAL A 35 3.505 21.098 10.500 1.00 24.21 H new ATOM 0 HB VAL A 35 3.371 23.496 9.675 1.00 31.32 H new ATOM 0 HG11 VAL A 35 1.004 23.777 10.285 1.00 3.11 H new ATOM 0 HG12 VAL A 35 1.381 22.090 9.863 1.00 3.11 H new ATOM 0 HG13 VAL A 35 1.193 22.560 11.569 1.00 3.11 H new ATOM 0 HG21 VAL A 35 2.729 25.224 11.306 1.00 54.45 H new ATOM 0 HG22 VAL A 35 2.989 24.065 12.631 1.00 54.45 H new ATOM 0 HG23 VAL A 35 4.361 24.589 11.625 1.00 54.45 H new ATOM 524 N GLY A 36 5.817 21.710 9.732 1.00 21.32 N ATOM 525 CA GLY A 36 7.220 21.890 9.407 1.00 72.45 C ATOM 526 C GLY A 36 7.421 22.574 8.069 1.00 4.02 C ATOM 527 O GLY A 36 6.772 22.229 7.081 1.00 31.45 O ATOM 0 H GLY A 36 5.278 21.194 9.036 1.00 21.32 H new ATOM 0 HA2 GLY A 36 7.698 22.480 10.189 1.00 72.45 H new ATOM 0 HA3 GLY A 36 7.714 20.919 9.393 1.00 72.45 H new ATOM 531 N THR A 37 8.324 23.550 8.035 1.00 14.05 N ATOM 532 CA THR A 37 8.607 24.287 6.810 1.00 31.15 C ATOM 533 C THR A 37 10.025 24.016 6.321 1.00 31.32 C ATOM 534 O THR A 37 10.999 24.319 7.011 1.00 53.52 O ATOM 535 CB THR A 37 8.427 25.803 7.013 1.00 40.33 C ATOM 536 OG1 THR A 37 7.169 26.068 7.644 1.00 23.42 O ATOM 537 CG2 THR A 37 8.497 26.539 5.683 1.00 70.31 C ATOM 0 H THR A 37 8.872 23.848 8.842 1.00 14.05 H new ATOM 0 HA THR A 37 7.895 23.941 6.061 1.00 31.15 H new ATOM 0 HB THR A 37 9.235 26.160 7.651 1.00 40.33 H new ATOM 0 HG1 THR A 37 7.064 27.034 7.771 1.00 23.42 H new ATOM 0 HG21 THR A 37 8.367 27.608 5.851 1.00 70.31 H new ATOM 0 HG22 THR A 37 9.467 26.360 5.219 1.00 70.31 H new ATOM 0 HG23 THR A 37 7.707 26.177 5.025 1.00 70.31 H new ATOM 545 N TYR A 38 10.134 23.443 5.128 1.00 44.34 N ATOM 546 CA TYR A 38 11.434 23.130 4.547 1.00 65.43 C ATOM 547 C TYR A 38 12.057 24.366 3.906 1.00 63.14 C ATOM 548 O TYR A 38 11.353 25.226 3.376 1.00 65.42 O ATOM 549 CB TYR A 38 11.297 22.017 3.507 1.00 74.44 C ATOM 550 CG TYR A 38 10.714 20.737 4.063 1.00 63.23 C ATOM 551 CD1 TYR A 38 9.340 20.556 4.150 1.00 14.25 C ATOM 552 CD2 TYR A 38 11.539 19.708 4.500 1.00 64.44 C ATOM 553 CE1 TYR A 38 8.804 19.389 4.659 1.00 75.14 C ATOM 554 CE2 TYR A 38 11.012 18.536 5.008 1.00 41.22 C ATOM 555 CZ TYR A 38 9.644 18.382 5.086 1.00 73.13 C ATOM 556 OH TYR A 38 9.114 17.217 5.591 1.00 35.02 O ATOM 0 H TYR A 38 9.338 23.186 4.544 1.00 44.34 H new ATOM 0 HA TYR A 38 12.089 22.790 5.349 1.00 65.43 H new ATOM 0 HB2 TYR A 38 10.666 22.369 2.691 1.00 74.44 H new ATOM 0 HB3 TYR A 38 12.278 21.805 3.082 1.00 74.44 H new ATOM 0 HD1 TYR A 38 8.679 21.341 3.814 1.00 14.25 H new ATOM 0 HD2 TYR A 38 12.611 19.826 4.442 1.00 64.44 H new ATOM 0 HE1 TYR A 38 7.733 19.266 4.722 1.00 75.14 H new ATOM 0 HE2 TYR A 38 11.668 17.745 5.342 1.00 41.22 H new ATOM 0 HH TYR A 38 9.840 16.610 5.845 1.00 35.02 H new ATOM 566 N SER A 39 13.383 24.447 3.958 1.00 40.23 N ATOM 567 CA SER A 39 14.103 25.579 3.385 1.00 15.03 C ATOM 568 C SER A 39 13.843 25.686 1.886 1.00 74.23 C ATOM 569 O SER A 39 14.039 26.742 1.284 1.00 24.30 O ATOM 570 CB SER A 39 15.604 25.441 3.646 1.00 72.44 C ATOM 571 OG SER A 39 16.291 25.045 2.471 1.00 34.41 O ATOM 0 H SER A 39 13.980 23.743 4.391 1.00 40.23 H new ATOM 0 HA SER A 39 13.741 26.488 3.864 1.00 15.03 H new ATOM 0 HB2 SER A 39 16.003 26.391 4.002 1.00 72.44 H new ATOM 0 HB3 SER A 39 15.773 24.708 4.435 1.00 72.44 H new ATOM 0 HG SER A 39 17.249 24.965 2.663 1.00 34.41 H new ATOM 577 N ASP A 40 13.400 24.585 1.289 1.00 75.12 N ATOM 578 CA ASP A 40 13.111 24.553 -0.140 1.00 41.23 C ATOM 579 C ASP A 40 11.870 25.380 -0.463 1.00 4.22 C ATOM 580 O ASP A 40 11.572 25.642 -1.627 1.00 41.41 O ATOM 581 CB ASP A 40 12.915 23.111 -0.611 1.00 14.22 C ATOM 582 CG ASP A 40 14.023 22.648 -1.535 1.00 62.42 C ATOM 583 OD1 ASP A 40 15.189 22.604 -1.089 1.00 40.40 O ATOM 584 OD2 ASP A 40 13.725 22.327 -2.705 1.00 11.25 O ATOM 0 H ASP A 40 13.233 23.703 1.773 1.00 75.12 H new ATOM 0 HA ASP A 40 13.961 24.986 -0.667 1.00 41.23 H new ATOM 0 HB2 ASP A 40 12.870 22.452 0.256 1.00 14.22 H new ATOM 0 HB3 ASP A 40 11.958 23.027 -1.126 1.00 14.22 H new ATOM 589 N GLY A 41 11.150 25.788 0.578 1.00 72.51 N ATOM 590 CA GLY A 41 9.949 26.579 0.384 1.00 1.23 C ATOM 591 C GLY A 41 8.690 25.735 0.391 1.00 24.32 C ATOM 592 O GLY A 41 7.807 25.915 -0.448 1.00 1.22 O ATOM 0 H GLY A 41 11.377 25.585 1.551 1.00 72.51 H new ATOM 0 HA2 GLY A 41 9.883 27.331 1.170 1.00 1.23 H new ATOM 0 HA3 GLY A 41 10.019 27.113 -0.563 1.00 1.23 H new ATOM 596 N THR A 42 8.607 24.807 1.340 1.00 11.21 N ATOM 597 CA THR A 42 7.449 23.929 1.451 1.00 12.51 C ATOM 598 C THR A 42 6.924 23.890 2.882 1.00 61.22 C ATOM 599 O THR A 42 7.594 24.338 3.813 1.00 52.24 O ATOM 600 CB THR A 42 7.785 22.496 1.000 1.00 62.42 C ATOM 601 OG1 THR A 42 9.083 22.464 0.396 1.00 41.13 O ATOM 602 CG2 THR A 42 6.748 21.982 0.013 1.00 61.43 C ATOM 0 H THR A 42 9.328 24.644 2.043 1.00 11.21 H new ATOM 0 HA THR A 42 6.679 24.337 0.795 1.00 12.51 H new ATOM 0 HB THR A 42 7.778 21.851 1.879 1.00 62.42 H new ATOM 0 HG1 THR A 42 9.290 21.549 0.113 1.00 41.13 H new ATOM 0 HG21 THR A 42 7.007 20.968 -0.291 1.00 61.43 H new ATOM 0 HG22 THR A 42 5.766 21.980 0.485 1.00 61.43 H new ATOM 0 HG23 THR A 42 6.727 22.630 -0.863 1.00 61.43 H new ATOM 610 N LYS A 43 5.722 23.350 3.051 1.00 20.34 N ATOM 611 CA LYS A 43 5.107 23.249 4.370 1.00 50.04 C ATOM 612 C LYS A 43 4.228 22.006 4.466 1.00 14.52 C ATOM 613 O LYS A 43 3.368 21.775 3.616 1.00 2.32 O ATOM 614 CB LYS A 43 4.275 24.500 4.664 1.00 63.51 C ATOM 615 CG LYS A 43 3.140 24.720 3.680 1.00 51.45 C ATOM 616 CD LYS A 43 1.792 24.394 4.301 1.00 40.33 C ATOM 617 CE LYS A 43 1.117 25.640 4.852 1.00 15.44 C ATOM 618 NZ LYS A 43 -0.253 25.350 5.361 1.00 42.13 N ATOM 0 H LYS A 43 5.154 22.975 2.291 1.00 20.34 H new ATOM 0 HA LYS A 43 5.903 23.167 5.110 1.00 50.04 H new ATOM 0 HB2 LYS A 43 3.863 24.424 5.670 1.00 63.51 H new ATOM 0 HB3 LYS A 43 4.929 25.372 4.653 1.00 63.51 H new ATOM 0 HG2 LYS A 43 3.145 25.757 3.343 1.00 51.45 H new ATOM 0 HG3 LYS A 43 3.296 24.098 2.799 1.00 51.45 H new ATOM 0 HD2 LYS A 43 1.148 23.930 3.553 1.00 40.33 H new ATOM 0 HD3 LYS A 43 1.925 23.667 5.102 1.00 40.33 H new ATOM 0 HE2 LYS A 43 1.723 26.055 5.657 1.00 15.44 H new ATOM 0 HE3 LYS A 43 1.061 26.398 4.071 1.00 15.44 H new ATOM 0 HZ1 LYS A 43 -0.679 26.225 5.728 1.00 42.13 H new ATOM 0 HZ2 LYS A 43 -0.839 24.977 4.587 1.00 42.13 H new ATOM 0 HZ3 LYS A 43 -0.198 24.645 6.124 1.00 42.13 H new ATOM 632 N ALA A 44 4.448 21.211 5.508 1.00 73.23 N ATOM 633 CA ALA A 44 3.673 19.994 5.717 1.00 53.22 C ATOM 634 C ALA A 44 3.323 19.812 7.190 1.00 43.20 C ATOM 635 O ALA A 44 4.198 19.860 8.056 1.00 75.35 O ATOM 636 CB ALA A 44 4.439 18.785 5.201 1.00 51.22 C ATOM 0 H ALA A 44 5.156 21.388 6.220 1.00 73.23 H new ATOM 0 HA ALA A 44 2.742 20.086 5.158 1.00 53.22 H new ATOM 0 HB1 ALA A 44 3.848 17.883 5.364 1.00 51.22 H new ATOM 0 HB2 ALA A 44 4.632 18.905 4.135 1.00 51.22 H new ATOM 0 HB3 ALA A 44 5.386 18.699 5.734 1.00 51.22 H new ATOM 642 N ASP A 45 2.041 19.604 7.468 1.00 50.53 N ATOM 643 CA ASP A 45 1.576 19.415 8.837 1.00 61.12 C ATOM 644 C ASP A 45 1.836 17.987 9.306 1.00 21.12 C ATOM 645 O ASP A 45 0.920 17.166 9.368 1.00 31.12 O ATOM 646 CB ASP A 45 0.084 19.735 8.941 1.00 42.55 C ATOM 647 CG ASP A 45 -0.726 19.083 7.838 1.00 72.30 C ATOM 648 OD1 ASP A 45 -0.238 18.097 7.247 1.00 70.25 O ATOM 649 OD2 ASP A 45 -1.849 19.557 7.567 1.00 1.11 O ATOM 0 H ASP A 45 1.305 19.562 6.763 1.00 50.53 H new ATOM 0 HA ASP A 45 2.131 20.097 9.481 1.00 61.12 H new ATOM 0 HB2 ASP A 45 -0.290 19.400 9.909 1.00 42.55 H new ATOM 0 HB3 ASP A 45 -0.057 20.815 8.901 1.00 42.55 H new ATOM 654 N LEU A 46 3.090 17.697 9.635 1.00 61.23 N ATOM 655 CA LEU A 46 3.472 16.367 10.098 1.00 54.02 C ATOM 656 C LEU A 46 4.044 16.426 11.510 1.00 22.24 C ATOM 657 O LEU A 46 5.005 17.149 11.773 1.00 5.43 O ATOM 658 CB LEU A 46 4.496 15.748 9.145 1.00 1.23 C ATOM 659 CG LEU A 46 4.291 16.038 7.658 1.00 14.10 C ATOM 660 CD1 LEU A 46 5.400 15.405 6.833 1.00 71.05 C ATOM 661 CD2 LEU A 46 2.929 15.536 7.200 1.00 62.31 C ATOM 0 H LEU A 46 3.860 18.365 9.590 1.00 61.23 H new ATOM 0 HA LEU A 46 2.578 15.744 10.114 1.00 54.02 H new ATOM 0 HB2 LEU A 46 5.487 16.101 9.430 1.00 1.23 H new ATOM 0 HB3 LEU A 46 4.489 14.667 9.288 1.00 1.23 H new ATOM 0 HG LEU A 46 4.327 17.117 7.509 1.00 14.10 H new ATOM 0 HD11 LEU A 46 5.237 15.622 5.777 1.00 71.05 H new ATOM 0 HD12 LEU A 46 6.362 15.813 7.143 1.00 71.05 H new ATOM 0 HD13 LEU A 46 5.397 14.326 6.986 1.00 71.05 H new ATOM 0 HD21 LEU A 46 2.800 15.751 6.139 1.00 62.31 H new ATOM 0 HD22 LEU A 46 2.864 14.460 7.363 1.00 62.31 H new ATOM 0 HD23 LEU A 46 2.146 16.037 7.769 1.00 62.31 H new ATOM 673 N THR A 47 3.449 15.658 12.417 1.00 33.44 N ATOM 674 CA THR A 47 3.900 15.621 13.803 1.00 55.22 C ATOM 675 C THR A 47 4.924 14.513 14.019 1.00 41.24 C ATOM 676 O THR A 47 5.743 14.582 14.936 1.00 75.45 O ATOM 677 CB THR A 47 2.721 15.411 14.772 1.00 72.32 C ATOM 678 OG1 THR A 47 2.218 14.076 14.649 1.00 73.34 O ATOM 679 CG2 THR A 47 1.605 16.406 14.491 1.00 4.35 C ATOM 0 H THR A 47 2.653 15.053 12.217 1.00 33.44 H new ATOM 0 HA THR A 47 4.364 16.586 14.010 1.00 55.22 H new ATOM 0 HB THR A 47 3.082 15.571 15.788 1.00 72.32 H new ATOM 0 HG1 THR A 47 1.246 14.079 14.777 1.00 73.34 H new ATOM 0 HG21 THR A 47 0.784 16.238 15.188 1.00 4.35 H new ATOM 0 HG22 THR A 47 1.983 17.421 14.614 1.00 4.35 H new ATOM 0 HG23 THR A 47 1.247 16.273 13.470 1.00 4.35 H new ATOM 687 N SER A 48 4.874 13.493 13.168 1.00 52.10 N ATOM 688 CA SER A 48 5.796 12.368 13.268 1.00 43.31 C ATOM 689 C SER A 48 7.239 12.831 13.085 1.00 33.31 C ATOM 690 O SER A 48 8.178 12.145 13.488 1.00 30.23 O ATOM 691 CB SER A 48 5.453 11.305 12.222 1.00 2.44 C ATOM 692 OG SER A 48 5.650 11.800 10.909 1.00 31.20 O ATOM 0 H SER A 48 4.205 13.423 12.402 1.00 52.10 H new ATOM 0 HA SER A 48 5.695 11.934 14.263 1.00 43.31 H new ATOM 0 HB2 SER A 48 6.074 10.423 12.378 1.00 2.44 H new ATOM 0 HB3 SER A 48 4.416 10.991 12.344 1.00 2.44 H new ATOM 0 HG SER A 48 5.426 11.102 10.259 1.00 31.20 H new ATOM 698 N SER A 49 7.406 13.999 12.474 1.00 51.21 N ATOM 699 CA SER A 49 8.733 14.553 12.233 1.00 2.03 C ATOM 700 C SER A 49 9.347 15.075 13.529 1.00 52.42 C ATOM 701 O SER A 49 10.524 14.849 13.807 1.00 24.32 O ATOM 702 CB SER A 49 8.660 15.679 11.200 1.00 34.12 C ATOM 703 OG SER A 49 9.464 15.388 10.070 1.00 20.14 O ATOM 0 H SER A 49 6.639 14.580 12.137 1.00 51.21 H new ATOM 0 HA SER A 49 9.367 13.756 11.846 1.00 2.03 H new ATOM 0 HB2 SER A 49 7.626 15.823 10.887 1.00 34.12 H new ATOM 0 HB3 SER A 49 8.989 16.614 11.653 1.00 34.12 H new ATOM 0 HG SER A 49 10.350 15.790 10.187 1.00 20.14 H new ATOM 709 N VAL A 50 8.539 15.777 14.318 1.00 63.10 N ATOM 710 CA VAL A 50 9.001 16.332 15.585 1.00 72.51 C ATOM 711 C VAL A 50 9.019 15.267 16.677 1.00 50.55 C ATOM 712 O VAL A 50 8.141 14.406 16.734 1.00 22.54 O ATOM 713 CB VAL A 50 8.112 17.504 16.041 1.00 5.21 C ATOM 714 CG1 VAL A 50 6.652 17.081 16.090 1.00 24.41 C ATOM 715 CG2 VAL A 50 8.571 18.024 17.395 1.00 0.11 C ATOM 0 H VAL A 50 7.562 15.975 14.102 1.00 63.10 H new ATOM 0 HA VAL A 50 10.015 16.697 15.421 1.00 72.51 H new ATOM 0 HB VAL A 50 8.206 18.312 15.315 1.00 5.21 H new ATOM 0 HG11 VAL A 50 6.040 17.923 16.414 1.00 24.41 H new ATOM 0 HG12 VAL A 50 6.332 16.761 15.098 1.00 24.41 H new ATOM 0 HG13 VAL A 50 6.536 16.256 16.793 1.00 24.41 H new ATOM 0 HG21 VAL A 50 7.932 18.852 17.702 1.00 0.11 H new ATOM 0 HG22 VAL A 50 8.508 17.224 18.132 1.00 0.11 H new ATOM 0 HG23 VAL A 50 9.602 18.369 17.322 1.00 0.11 H new ATOM 725 N THR A 51 10.025 15.333 17.543 1.00 43.21 N ATOM 726 CA THR A 51 10.159 14.375 18.633 1.00 10.42 C ATOM 727 C THR A 51 9.339 14.803 19.845 1.00 52.53 C ATOM 728 O THR A 51 9.352 15.971 20.234 1.00 42.33 O ATOM 729 CB THR A 51 11.630 14.208 19.057 1.00 45.13 C ATOM 730 OG1 THR A 51 12.496 14.605 17.987 1.00 22.14 O ATOM 731 CG2 THR A 51 11.922 12.766 19.443 1.00 33.13 C ATOM 0 H THR A 51 10.759 16.040 17.511 1.00 43.21 H new ATOM 0 HA THR A 51 9.785 13.421 18.262 1.00 10.42 H new ATOM 0 HB THR A 51 11.809 14.843 19.925 1.00 45.13 H new ATOM 0 HG1 THR A 51 13.430 14.498 18.265 1.00 22.14 H new ATOM 0 HG21 THR A 51 12.967 12.673 19.739 1.00 33.13 H new ATOM 0 HG22 THR A 51 11.282 12.476 20.276 1.00 33.13 H new ATOM 0 HG23 THR A 51 11.727 12.115 18.591 1.00 33.13 H new ATOM 739 N TRP A 52 8.627 13.852 20.437 1.00 31.32 N ATOM 740 CA TRP A 52 7.801 14.131 21.606 1.00 13.32 C ATOM 741 C TRP A 52 8.434 13.559 22.870 1.00 75.44 C ATOM 742 O TRP A 52 8.826 12.392 22.905 1.00 55.24 O ATOM 743 CB TRP A 52 6.398 13.551 21.416 1.00 42.55 C ATOM 744 CG TRP A 52 5.591 14.276 20.381 1.00 45.12 C ATOM 745 CD1 TRP A 52 5.996 14.628 19.125 1.00 72.33 C ATOM 746 CD2 TRP A 52 4.243 14.739 20.515 1.00 63.02 C ATOM 747 NE1 TRP A 52 4.980 15.281 18.470 1.00 40.44 N ATOM 748 CE2 TRP A 52 3.894 15.362 19.301 1.00 70.35 C ATOM 749 CE3 TRP A 52 3.297 14.686 21.541 1.00 15.33 C ATOM 750 CZ2 TRP A 52 2.640 15.927 19.088 1.00 15.22 C ATOM 751 CZ3 TRP A 52 2.052 15.248 21.329 1.00 1.31 C ATOM 752 CH2 TRP A 52 1.732 15.861 20.110 1.00 1.34 C ATOM 0 H TRP A 52 8.605 12.880 20.127 1.00 31.32 H new ATOM 0 HA TRP A 52 7.727 15.213 21.717 1.00 13.32 H new ATOM 0 HB2 TRP A 52 6.482 12.502 21.132 1.00 42.55 H new ATOM 0 HB3 TRP A 52 5.868 13.582 22.368 1.00 42.55 H new ATOM 0 HD1 TRP A 52 6.971 14.423 18.708 1.00 72.33 H new ATOM 0 HE1 TRP A 52 5.027 15.646 17.519 1.00 40.44 H new ATOM 0 HE3 TRP A 52 3.534 14.214 22.483 1.00 15.33 H new ATOM 0 HZ2 TRP A 52 2.392 16.401 18.150 1.00 15.22 H new ATOM 0 HZ3 TRP A 52 1.313 15.214 22.116 1.00 1.31 H new ATOM 0 HH2 TRP A 52 0.750 16.290 19.974 1.00 1.34 H new ATOM 763 N SER A 53 8.530 14.386 23.905 1.00 20.14 N ATOM 764 CA SER A 53 9.119 13.962 25.170 1.00 30.22 C ATOM 765 C SER A 53 8.307 14.487 26.351 1.00 64.05 C ATOM 766 O SER A 53 7.937 15.660 26.391 1.00 42.34 O ATOM 767 CB SER A 53 10.565 14.451 25.273 1.00 30.31 C ATOM 768 OG SER A 53 11.475 13.365 25.225 1.00 51.45 O ATOM 0 H SER A 53 8.208 15.354 23.893 1.00 20.14 H new ATOM 0 HA SER A 53 9.108 12.872 25.200 1.00 30.22 H new ATOM 0 HB2 SER A 53 10.777 15.144 24.458 1.00 30.31 H new ATOM 0 HB3 SER A 53 10.700 15.002 26.203 1.00 30.31 H new ATOM 0 HG SER A 53 12.392 13.704 25.291 1.00 51.45 H new ATOM 774 N SER A 54 8.034 13.609 27.310 1.00 24.23 N ATOM 775 CA SER A 54 7.263 13.982 28.491 1.00 64.54 C ATOM 776 C SER A 54 8.053 13.701 29.766 1.00 75.22 C ATOM 777 O SER A 54 8.929 12.836 29.789 1.00 15.33 O ATOM 778 CB SER A 54 5.937 13.220 28.520 1.00 14.44 C ATOM 779 OG SER A 54 4.837 14.108 28.421 1.00 51.40 O ATOM 0 H SER A 54 8.335 12.635 27.293 1.00 24.23 H new ATOM 0 HA SER A 54 7.059 15.051 28.440 1.00 64.54 H new ATOM 0 HB2 SER A 54 5.907 12.505 27.698 1.00 14.44 H new ATOM 0 HB3 SER A 54 5.864 12.646 29.444 1.00 14.44 H new ATOM 0 HG SER A 54 5.113 15.004 28.705 1.00 51.40 H new ATOM 785 N SER A 55 7.735 14.438 30.825 1.00 0.41 N ATOM 786 CA SER A 55 8.416 14.273 32.104 1.00 61.42 C ATOM 787 C SER A 55 8.251 12.849 32.627 1.00 53.01 C ATOM 788 O SER A 55 9.180 12.045 32.574 1.00 61.11 O ATOM 789 CB SER A 55 7.873 15.271 33.128 1.00 31.21 C ATOM 790 OG SER A 55 6.469 15.418 33.002 1.00 61.10 O ATOM 0 H SER A 55 7.010 15.155 30.823 1.00 0.41 H new ATOM 0 HA SER A 55 9.478 14.464 31.950 1.00 61.42 H new ATOM 0 HB2 SER A 55 8.117 14.933 34.135 1.00 31.21 H new ATOM 0 HB3 SER A 55 8.357 16.238 32.990 1.00 31.21 H new ATOM 0 HG SER A 55 6.259 16.338 32.737 1.00 61.10 H new ATOM 796 N ASN A 56 7.059 12.546 33.132 1.00 24.32 N ATOM 797 CA ASN A 56 6.771 11.220 33.666 1.00 32.50 C ATOM 798 C ASN A 56 6.741 10.179 32.551 1.00 62.22 C ATOM 799 O ASN A 56 6.035 10.341 31.556 1.00 13.34 O ATOM 800 CB ASN A 56 5.433 11.226 34.409 1.00 60.14 C ATOM 801 CG ASN A 56 5.210 12.508 35.187 1.00 51.21 C ATOM 802 OD1 ASN A 56 5.485 12.576 36.385 1.00 52.11 O ATOM 803 ND2 ASN A 56 4.709 13.533 34.507 1.00 14.02 N ATOM 0 H ASN A 56 6.278 13.200 33.182 1.00 24.32 H new ATOM 0 HA ASN A 56 7.566 10.956 34.364 1.00 32.50 H new ATOM 0 HB2 ASN A 56 4.622 11.093 33.693 1.00 60.14 H new ATOM 0 HB3 ASN A 56 5.396 10.378 35.093 1.00 60.14 H new ATOM 0 HD21 ASN A 56 4.537 14.422 34.977 1.00 14.02 H new ATOM 0 HD22 ASN A 56 4.496 13.431 33.515 1.00 14.02 H new ATOM 810 N GLN A 57 7.513 9.111 32.725 1.00 33.31 N ATOM 811 CA GLN A 57 7.575 8.044 31.733 1.00 34.32 C ATOM 812 C GLN A 57 6.268 7.257 31.698 1.00 65.02 C ATOM 813 O GLN A 57 6.044 6.449 30.797 1.00 34.41 O ATOM 814 CB GLN A 57 8.742 7.103 32.037 1.00 1.31 C ATOM 815 CG GLN A 57 9.945 7.315 31.132 1.00 21.13 C ATOM 816 CD GLN A 57 10.029 6.286 30.022 1.00 31.44 C ATOM 817 OE1 GLN A 57 9.685 5.119 30.215 1.00 65.12 O ATOM 818 NE2 GLN A 57 10.487 6.713 28.852 1.00 51.14 N ATOM 0 H GLN A 57 8.104 8.962 33.543 1.00 33.31 H new ATOM 0 HA GLN A 57 7.730 8.500 30.755 1.00 34.32 H new ATOM 0 HB2 GLN A 57 9.049 7.241 33.074 1.00 1.31 H new ATOM 0 HB3 GLN A 57 8.402 6.072 31.940 1.00 1.31 H new ATOM 0 HG2 GLN A 57 9.895 8.312 30.695 1.00 21.13 H new ATOM 0 HG3 GLN A 57 10.856 7.275 31.729 1.00 21.13 H new ATOM 0 HE21 GLN A 57 10.761 7.689 28.737 1.00 51.14 H new ATOM 0 HE22 GLN A 57 10.565 6.065 28.068 1.00 51.14 H new ATOM 827 N SER A 58 5.411 7.499 32.684 1.00 74.02 N ATOM 828 CA SER A 58 4.128 6.810 32.768 1.00 63.13 C ATOM 829 C SER A 58 3.123 7.413 31.792 1.00 74.04 C ATOM 830 O SER A 58 2.418 6.692 31.086 1.00 65.43 O ATOM 831 CB SER A 58 3.579 6.882 34.194 1.00 54.54 C ATOM 832 OG SER A 58 3.126 5.613 34.631 1.00 24.21 O ATOM 0 H SER A 58 5.581 8.167 33.436 1.00 74.02 H new ATOM 0 HA SER A 58 4.286 5.765 32.500 1.00 63.13 H new ATOM 0 HB2 SER A 58 4.355 7.246 34.868 1.00 54.54 H new ATOM 0 HB3 SER A 58 2.759 7.598 34.235 1.00 54.54 H new ATOM 0 HG SER A 58 2.782 5.686 35.546 1.00 24.21 H new ATOM 838 N GLN A 59 3.062 8.740 31.759 1.00 44.34 N ATOM 839 CA GLN A 59 2.143 9.441 30.870 1.00 32.11 C ATOM 840 C GLN A 59 2.855 9.900 29.602 1.00 72.01 C ATOM 841 O GLN A 59 2.244 10.502 28.719 1.00 5.43 O ATOM 842 CB GLN A 59 1.525 10.643 31.586 1.00 1.31 C ATOM 843 CG GLN A 59 2.552 11.646 32.088 1.00 32.44 C ATOM 844 CD GLN A 59 2.290 12.084 33.516 1.00 73.31 C ATOM 845 OE1 GLN A 59 2.077 13.266 33.785 1.00 3.34 O ATOM 846 NE2 GLN A 59 2.303 11.130 34.440 1.00 40.20 N ATOM 0 H GLN A 59 3.638 9.351 32.338 1.00 44.34 H new ATOM 0 HA GLN A 59 1.350 8.748 30.588 1.00 32.11 H new ATOM 0 HB2 GLN A 59 0.839 11.148 30.906 1.00 1.31 H new ATOM 0 HB3 GLN A 59 0.933 10.288 32.430 1.00 1.31 H new ATOM 0 HG2 GLN A 59 3.547 11.205 32.024 1.00 32.44 H new ATOM 0 HG3 GLN A 59 2.549 12.520 31.437 1.00 32.44 H new ATOM 0 HE21 GLN A 59 2.484 10.163 34.172 1.00 40.20 H new ATOM 0 HE22 GLN A 59 2.132 11.365 35.418 1.00 40.20 H new ATOM 855 N ALA A 60 4.149 9.611 29.519 1.00 44.35 N ATOM 856 CA ALA A 60 4.944 9.993 28.358 1.00 50.03 C ATOM 857 C ALA A 60 4.679 9.061 27.180 1.00 22.45 C ATOM 858 O ALA A 60 5.591 8.402 26.679 1.00 13.11 O ATOM 859 CB ALA A 60 6.424 9.995 28.709 1.00 3.30 C ATOM 0 H ALA A 60 4.669 9.114 30.242 1.00 44.35 H new ATOM 0 HA ALA A 60 4.650 11.001 28.064 1.00 50.03 H new ATOM 0 HB1 ALA A 60 7.005 10.282 27.833 1.00 3.30 H new ATOM 0 HB2 ALA A 60 6.606 10.707 29.514 1.00 3.30 H new ATOM 0 HB3 ALA A 60 6.723 8.998 29.032 1.00 3.30 H new ATOM 865 N LYS A 61 3.425 9.008 26.744 1.00 45.25 N ATOM 866 CA LYS A 61 3.040 8.157 25.625 1.00 74.24 C ATOM 867 C LYS A 61 2.477 8.989 24.477 1.00 72.24 C ATOM 868 O LYS A 61 1.707 9.924 24.694 1.00 14.20 O ATOM 869 CB LYS A 61 2.004 7.125 26.076 1.00 71.51 C ATOM 870 CG LYS A 61 2.353 5.700 25.681 1.00 55.14 C ATOM 871 CD LYS A 61 2.741 4.865 26.889 1.00 12.12 C ATOM 872 CE LYS A 61 4.233 4.950 27.169 1.00 25.01 C ATOM 873 NZ LYS A 61 4.753 3.701 27.791 1.00 61.41 N ATOM 0 H LYS A 61 2.658 9.545 27.149 1.00 45.25 H new ATOM 0 HA LYS A 61 3.931 7.639 25.272 1.00 74.24 H new ATOM 0 HB2 LYS A 61 1.899 7.177 27.160 1.00 71.51 H new ATOM 0 HB3 LYS A 61 1.035 7.385 25.649 1.00 71.51 H new ATOM 0 HG2 LYS A 61 1.501 5.242 25.179 1.00 55.14 H new ATOM 0 HG3 LYS A 61 3.176 5.711 24.966 1.00 55.14 H new ATOM 0 HD2 LYS A 61 2.186 5.207 27.762 1.00 12.12 H new ATOM 0 HD3 LYS A 61 2.460 3.826 26.720 1.00 12.12 H new ATOM 0 HE2 LYS A 61 4.767 5.142 26.238 1.00 25.01 H new ATOM 0 HE3 LYS A 61 4.431 5.794 27.829 1.00 25.01 H new ATOM 0 HZ1 LYS A 61 5.773 3.799 27.966 1.00 61.41 H new ATOM 0 HZ2 LYS A 61 4.262 3.531 28.692 1.00 61.41 H new ATOM 0 HZ3 LYS A 61 4.587 2.899 27.150 1.00 61.41 H new ATOM 887 N VAL A 62 2.865 8.641 23.254 1.00 42.12 N ATOM 888 CA VAL A 62 2.397 9.354 22.071 1.00 2.33 C ATOM 889 C VAL A 62 2.317 8.425 20.865 1.00 11.32 C ATOM 890 O VAL A 62 3.030 7.424 20.791 1.00 14.32 O ATOM 891 CB VAL A 62 3.318 10.541 21.731 1.00 52.31 C ATOM 892 CG1 VAL A 62 3.436 11.483 22.919 1.00 2.41 C ATOM 893 CG2 VAL A 62 4.688 10.044 21.295 1.00 0.53 C ATOM 0 H VAL A 62 3.502 7.870 23.057 1.00 42.12 H new ATOM 0 HA VAL A 62 1.401 9.731 22.302 1.00 2.33 H new ATOM 0 HB VAL A 62 2.877 11.095 20.902 1.00 52.31 H new ATOM 0 HG11 VAL A 62 4.090 12.315 22.660 1.00 2.41 H new ATOM 0 HG12 VAL A 62 2.449 11.865 23.180 1.00 2.41 H new ATOM 0 HG13 VAL A 62 3.853 10.945 23.770 1.00 2.41 H new ATOM 0 HG21 VAL A 62 5.326 10.896 21.059 1.00 0.53 H new ATOM 0 HG22 VAL A 62 5.139 9.466 22.102 1.00 0.53 H new ATOM 0 HG23 VAL A 62 4.582 9.414 20.412 1.00 0.53 H new ATOM 903 N SER A 63 1.445 8.764 19.921 1.00 14.03 N ATOM 904 CA SER A 63 1.268 7.958 18.719 1.00 43.43 C ATOM 905 C SER A 63 1.302 8.833 17.469 1.00 22.11 C ATOM 906 O SER A 63 0.261 9.209 16.933 1.00 13.12 O ATOM 907 CB SER A 63 -0.054 7.191 18.782 1.00 1.45 C ATOM 908 OG SER A 63 -0.097 6.167 17.804 1.00 53.42 O ATOM 0 H SER A 63 0.850 9.591 19.965 1.00 14.03 H new ATOM 0 HA SER A 63 2.091 7.245 18.666 1.00 43.43 H new ATOM 0 HB2 SER A 63 -0.179 6.756 19.774 1.00 1.45 H new ATOM 0 HB3 SER A 63 -0.885 7.879 18.629 1.00 1.45 H new ATOM 0 HG SER A 63 -0.951 5.691 17.866 1.00 53.42 H new ATOM 914 N ASN A 64 2.508 9.153 17.011 1.00 61.53 N ATOM 915 CA ASN A 64 2.679 9.983 15.824 1.00 4.44 C ATOM 916 C ASN A 64 3.361 9.201 14.706 1.00 71.10 C ATOM 917 O ASN A 64 4.444 8.647 14.893 1.00 50.43 O ATOM 918 CB ASN A 64 3.500 11.230 16.163 1.00 32.33 C ATOM 919 CG ASN A 64 4.520 10.971 17.255 1.00 64.13 C ATOM 920 OD1 ASN A 64 5.334 10.052 17.154 1.00 0.50 O ATOM 921 ND2 ASN A 64 4.481 11.782 18.306 1.00 61.15 N ATOM 0 H ASN A 64 3.381 8.850 17.444 1.00 61.53 H new ATOM 0 HA ASN A 64 1.691 10.288 15.479 1.00 4.44 H new ATOM 0 HB2 ASN A 64 4.012 11.579 15.266 1.00 32.33 H new ATOM 0 HB3 ASN A 64 2.829 12.029 16.478 1.00 32.33 H new ATOM 0 HD21 ASN A 64 5.143 11.656 19.072 1.00 61.15 H new ATOM 0 HD22 ASN A 64 3.789 12.530 18.347 1.00 61.15 H new ATOM 928 N ALA A 65 2.718 9.160 13.543 1.00 5.33 N ATOM 929 CA ALA A 65 3.263 8.448 12.394 1.00 43.41 C ATOM 930 C ALA A 65 2.329 8.548 11.193 1.00 11.00 C ATOM 931 O ALA A 65 2.777 8.597 10.048 1.00 45.22 O ATOM 932 CB ALA A 65 3.517 6.991 12.748 1.00 64.30 C ATOM 0 H ALA A 65 1.819 9.611 13.372 1.00 5.33 H new ATOM 0 HA ALA A 65 4.210 8.915 12.124 1.00 43.41 H new ATOM 0 HB1 ALA A 65 3.924 6.471 11.881 1.00 64.30 H new ATOM 0 HB2 ALA A 65 4.229 6.935 13.571 1.00 64.30 H new ATOM 0 HB3 ALA A 65 2.580 6.520 13.046 1.00 64.30 H new ATOM 938 N SER A 66 1.028 8.577 11.462 1.00 34.34 N ATOM 939 CA SER A 66 0.029 8.666 10.403 1.00 25.20 C ATOM 940 C SER A 66 0.160 9.983 9.643 1.00 35.54 C ATOM 941 O SER A 66 0.243 9.997 8.416 1.00 64.11 O ATOM 942 CB SER A 66 -1.378 8.538 10.988 1.00 55.12 C ATOM 943 OG SER A 66 -2.355 9.003 10.072 1.00 31.12 O ATOM 0 H SER A 66 0.640 8.540 12.405 1.00 34.34 H new ATOM 0 HA SER A 66 0.200 7.846 9.706 1.00 25.20 H new ATOM 0 HB2 SER A 66 -1.577 7.496 11.240 1.00 55.12 H new ATOM 0 HB3 SER A 66 -1.443 9.108 11.915 1.00 55.12 H new ATOM 0 HG SER A 66 -3.246 8.909 10.469 1.00 31.12 H new ATOM 949 N GLU A 67 0.175 11.087 10.384 1.00 63.52 N ATOM 950 CA GLU A 67 0.294 12.409 9.780 1.00 21.43 C ATOM 951 C GLU A 67 0.075 13.503 10.821 1.00 43.33 C ATOM 952 O GLU A 67 1.025 14.136 11.283 1.00 23.35 O ATOM 953 CB GLU A 67 -0.713 12.565 8.639 1.00 14.34 C ATOM 954 CG GLU A 67 -0.071 12.621 7.264 1.00 51.44 C ATOM 955 CD GLU A 67 -0.710 11.658 6.282 1.00 43.11 C ATOM 956 OE1 GLU A 67 -1.936 11.441 6.377 1.00 21.25 O ATOM 957 OE2 GLU A 67 0.016 11.122 5.419 1.00 71.32 O ATOM 0 H GLU A 67 0.106 11.092 11.402 1.00 63.52 H new ATOM 0 HA GLU A 67 1.303 12.509 9.380 1.00 21.43 H new ATOM 0 HB2 GLU A 67 -1.415 11.732 8.669 1.00 14.34 H new ATOM 0 HB3 GLU A 67 -1.291 13.475 8.798 1.00 14.34 H new ATOM 0 HG2 GLU A 67 -0.146 13.636 6.873 1.00 51.44 H new ATOM 0 HG3 GLU A 67 0.991 12.392 7.353 1.00 51.44 H new ATOM 964 N THR A 68 -1.185 13.723 11.184 1.00 24.45 N ATOM 965 CA THR A 68 -1.530 14.741 12.168 1.00 2.10 C ATOM 966 C THR A 68 -1.688 14.133 13.557 1.00 43.11 C ATOM 967 O THR A 68 -2.071 14.817 14.506 1.00 50.40 O ATOM 968 CB THR A 68 -2.832 15.470 11.788 1.00 14.22 C ATOM 969 OG1 THR A 68 -3.958 14.615 12.018 1.00 65.34 O ATOM 970 CG2 THR A 68 -2.806 15.901 10.329 1.00 2.25 C ATOM 0 H THR A 68 -1.983 13.209 10.811 1.00 24.45 H new ATOM 0 HA THR A 68 -0.710 15.459 12.181 1.00 2.10 H new ATOM 0 HB THR A 68 -2.919 16.360 12.412 1.00 14.22 H new ATOM 0 HG1 THR A 68 -4.782 15.087 11.775 1.00 65.34 H new ATOM 0 HG21 THR A 68 -3.736 16.414 10.084 1.00 2.25 H new ATOM 0 HG22 THR A 68 -1.966 16.575 10.164 1.00 2.25 H new ATOM 0 HG23 THR A 68 -2.697 15.023 9.692 1.00 2.25 H new ATOM 978 N LYS A 69 -1.389 12.843 13.670 1.00 13.34 N ATOM 979 CA LYS A 69 -1.496 12.142 14.944 1.00 1.03 C ATOM 980 C LYS A 69 -0.517 12.715 15.964 1.00 23.52 C ATOM 981 O LYS A 69 -0.092 13.864 15.854 1.00 14.13 O ATOM 982 CB LYS A 69 -1.231 10.647 14.751 1.00 52.22 C ATOM 983 CG LYS A 69 -2.195 9.755 15.514 1.00 52.14 C ATOM 984 CD LYS A 69 -1.913 8.284 15.259 1.00 34.33 C ATOM 985 CE LYS A 69 -3.191 7.516 14.957 1.00 60.22 C ATOM 986 NZ LYS A 69 -3.659 7.746 13.562 1.00 71.41 N ATOM 0 H LYS A 69 -1.071 12.262 12.894 1.00 13.34 H new ATOM 0 HA LYS A 69 -2.509 12.279 15.322 1.00 1.03 H new ATOM 0 HB2 LYS A 69 -1.293 10.410 13.689 1.00 52.22 H new ATOM 0 HB3 LYS A 69 -0.213 10.423 15.069 1.00 52.22 H new ATOM 0 HG2 LYS A 69 -2.117 9.962 16.581 1.00 52.14 H new ATOM 0 HG3 LYS A 69 -3.218 9.987 15.219 1.00 52.14 H new ATOM 0 HD2 LYS A 69 -1.221 8.185 14.423 1.00 34.33 H new ATOM 0 HD3 LYS A 69 -1.424 7.850 16.131 1.00 34.33 H new ATOM 0 HE2 LYS A 69 -3.020 6.451 15.112 1.00 60.22 H new ATOM 0 HE3 LYS A 69 -3.971 7.819 15.656 1.00 60.22 H new ATOM 0 HZ1 LYS A 69 -4.575 7.275 13.421 1.00 71.41 H new ATOM 0 HZ2 LYS A 69 -3.765 8.767 13.395 1.00 71.41 H new ATOM 0 HZ3 LYS A 69 -2.963 7.357 12.894 1.00 71.41 H new ATOM 1000 N GLY A 70 -0.161 11.904 16.956 1.00 24.21 N ATOM 1001 CA GLY A 70 0.767 12.347 17.980 1.00 2.51 C ATOM 1002 C GLY A 70 0.097 12.541 19.326 1.00 75.14 C ATOM 1003 O GLY A 70 0.756 12.859 20.316 1.00 13.52 O ATOM 0 H GLY A 70 -0.499 10.948 17.069 1.00 24.21 H new ATOM 0 HA2 GLY A 70 1.570 11.616 18.079 1.00 2.51 H new ATOM 0 HA3 GLY A 70 1.227 13.285 17.668 1.00 2.51 H new ATOM 1007 N LEU A 71 -1.218 12.350 19.363 1.00 44.04 N ATOM 1008 CA LEU A 71 -1.979 12.507 20.597 1.00 10.00 C ATOM 1009 C LEU A 71 -1.227 11.907 21.781 1.00 40.22 C ATOM 1010 O LEU A 71 -0.866 10.730 21.768 1.00 3.35 O ATOM 1011 CB LEU A 71 -3.351 11.844 20.461 1.00 41.20 C ATOM 1012 CG LEU A 71 -3.345 10.354 20.119 1.00 34.24 C ATOM 1013 CD1 LEU A 71 -3.468 9.516 21.383 1.00 51.22 C ATOM 1014 CD2 LEU A 71 -4.470 10.025 19.148 1.00 3.10 C ATOM 0 H LEU A 71 -1.778 12.086 18.553 1.00 44.04 H new ATOM 0 HA LEU A 71 -2.114 13.573 20.778 1.00 10.00 H new ATOM 0 HB2 LEU A 71 -3.892 11.979 21.397 1.00 41.20 H new ATOM 0 HB3 LEU A 71 -3.912 12.371 19.690 1.00 41.20 H new ATOM 0 HG LEU A 71 -2.396 10.115 19.639 1.00 34.24 H new ATOM 0 HD11 LEU A 71 -3.462 8.458 21.120 1.00 51.22 H new ATOM 0 HD12 LEU A 71 -2.629 9.730 22.045 1.00 51.22 H new ATOM 0 HD13 LEU A 71 -4.402 9.758 21.891 1.00 51.22 H new ATOM 0 HD21 LEU A 71 -4.450 8.960 18.916 1.00 3.10 H new ATOM 0 HD22 LEU A 71 -5.428 10.280 19.601 1.00 3.10 H new ATOM 0 HD23 LEU A 71 -4.338 10.599 18.231 1.00 3.10 H new ATOM 1026 N VAL A 72 -0.996 12.724 22.804 1.00 60.21 N ATOM 1027 CA VAL A 72 -0.290 12.273 23.997 1.00 10.34 C ATOM 1028 C VAL A 72 -1.265 11.771 25.056 1.00 14.21 C ATOM 1029 O VAL A 72 -2.146 12.506 25.504 1.00 54.11 O ATOM 1030 CB VAL A 72 0.569 13.400 24.600 1.00 3.52 C ATOM 1031 CG1 VAL A 72 -0.280 14.633 24.871 1.00 21.12 C ATOM 1032 CG2 VAL A 72 1.255 12.925 25.872 1.00 31.02 C ATOM 0 H VAL A 72 -1.287 13.701 22.830 1.00 60.21 H new ATOM 0 HA VAL A 72 0.361 11.455 23.689 1.00 10.34 H new ATOM 0 HB VAL A 72 1.340 13.671 23.878 1.00 3.52 H new ATOM 0 HG11 VAL A 72 0.344 15.418 25.297 1.00 21.12 H new ATOM 0 HG12 VAL A 72 -0.719 14.985 23.937 1.00 21.12 H new ATOM 0 HG13 VAL A 72 -1.075 14.381 25.573 1.00 21.12 H new ATOM 0 HG21 VAL A 72 1.858 13.734 26.284 1.00 31.02 H new ATOM 0 HG22 VAL A 72 0.502 12.625 26.601 1.00 31.02 H new ATOM 0 HG23 VAL A 72 1.897 12.075 25.643 1.00 31.02 H new ATOM 1042 N THR A 73 -1.102 10.513 25.454 1.00 15.20 N ATOM 1043 CA THR A 73 -1.969 9.912 26.460 1.00 64.51 C ATOM 1044 C THR A 73 -1.249 9.780 27.797 1.00 21.33 C ATOM 1045 O THR A 73 -0.035 9.585 27.844 1.00 40.45 O ATOM 1046 CB THR A 73 -2.463 8.522 26.017 1.00 71.33 C ATOM 1047 OG1 THR A 73 -2.378 8.402 24.592 1.00 5.53 O ATOM 1048 CG2 THR A 73 -3.898 8.290 26.465 1.00 72.41 C ATOM 0 H THR A 73 -0.378 9.891 25.095 1.00 15.20 H new ATOM 0 HA THR A 73 -2.827 10.575 26.576 1.00 64.51 H new ATOM 0 HB THR A 73 -1.827 7.770 26.483 1.00 71.33 H new ATOM 0 HG1 THR A 73 -2.692 7.515 24.319 1.00 5.53 H new ATOM 0 HG21 THR A 73 -4.225 7.302 26.141 1.00 72.41 H new ATOM 0 HG22 THR A 73 -3.955 8.353 27.552 1.00 72.41 H new ATOM 0 HG23 THR A 73 -4.544 9.049 26.024 1.00 72.41 H new ATOM 1056 N GLY A 74 -2.006 9.886 28.885 1.00 74.01 N ATOM 1057 CA GLY A 74 -1.423 9.775 30.209 1.00 2.30 C ATOM 1058 C GLY A 74 -1.994 8.614 30.999 1.00 4.40 C ATOM 1059 O GLY A 74 -3.150 8.236 30.810 1.00 31.15 O ATOM 0 H GLY A 74 -3.013 10.047 28.873 1.00 74.01 H new ATOM 0 HA2 GLY A 74 -0.344 9.653 30.118 1.00 2.30 H new ATOM 0 HA3 GLY A 74 -1.594 10.702 30.757 1.00 2.30 H new ATOM 1063 N ILE A 75 -1.181 8.047 31.884 1.00 13.13 N ATOM 1064 CA ILE A 75 -1.612 6.922 32.705 1.00 55.12 C ATOM 1065 C ILE A 75 -2.031 7.385 34.096 1.00 31.01 C ATOM 1066 O ILE A 75 -3.064 6.964 34.617 1.00 44.12 O ATOM 1067 CB ILE A 75 -0.500 5.865 32.841 1.00 53.44 C ATOM 1068 CG1 ILE A 75 -0.106 5.328 31.463 1.00 14.02 C ATOM 1069 CG2 ILE A 75 -0.955 4.732 33.747 1.00 22.44 C ATOM 1070 CD1 ILE A 75 -1.223 4.586 30.762 1.00 1.41 C ATOM 0 H ILE A 75 -0.221 8.348 32.051 1.00 13.13 H new ATOM 0 HA ILE A 75 -2.468 6.474 32.201 1.00 55.12 H new ATOM 0 HB ILE A 75 0.375 6.334 33.291 1.00 53.44 H new ATOM 0 HG12 ILE A 75 0.216 6.160 30.836 1.00 14.02 H new ATOM 0 HG13 ILE A 75 0.749 4.661 31.573 1.00 14.02 H new ATOM 0 HG21 ILE A 75 -0.159 3.993 33.833 1.00 22.44 H new ATOM 0 HG22 ILE A 75 -1.191 5.128 34.735 1.00 22.44 H new ATOM 0 HG23 ILE A 75 -1.842 4.261 33.323 1.00 22.44 H new ATOM 0 HD11 ILE A 75 -0.873 4.234 29.792 1.00 1.41 H new ATOM 0 HD12 ILE A 75 -1.530 3.734 31.368 1.00 1.41 H new ATOM 0 HD13 ILE A 75 -2.072 5.255 30.620 1.00 1.41 H new ATOM 1082 N ALA A 76 -1.223 8.255 34.692 1.00 1.42 N ATOM 1083 CA ALA A 76 -1.511 8.779 36.022 1.00 72.04 C ATOM 1084 C ALA A 76 -1.556 10.303 36.013 1.00 14.24 C ATOM 1085 O ALA A 76 -0.958 10.947 35.151 1.00 35.22 O ATOM 1086 CB ALA A 76 -0.474 8.285 37.020 1.00 52.24 C ATOM 0 H ALA A 76 -0.363 8.612 34.275 1.00 1.42 H new ATOM 0 HA ALA A 76 -2.493 8.414 36.325 1.00 72.04 H new ATOM 0 HB1 ALA A 76 -0.701 8.684 38.009 1.00 52.24 H new ATOM 0 HB2 ALA A 76 -0.493 7.196 37.055 1.00 52.24 H new ATOM 0 HB3 ALA A 76 0.516 8.621 36.712 1.00 52.24 H new ATOM 1092 N SER A 77 -2.270 10.875 36.978 1.00 22.34 N ATOM 1093 CA SER A 77 -2.397 12.324 37.079 1.00 22.23 C ATOM 1094 C SER A 77 -1.034 12.975 37.295 1.00 21.22 C ATOM 1095 O SER A 77 0.003 12.323 37.181 1.00 61.15 O ATOM 1096 CB SER A 77 -3.340 12.696 38.225 1.00 24.13 C ATOM 1097 OG SER A 77 -3.910 11.539 38.812 1.00 12.12 O ATOM 0 H SER A 77 -2.769 10.357 37.701 1.00 22.34 H new ATOM 0 HA SER A 77 -2.812 12.694 36.142 1.00 22.23 H new ATOM 0 HB2 SER A 77 -2.794 13.260 38.981 1.00 24.13 H new ATOM 0 HB3 SER A 77 -4.132 13.346 37.852 1.00 24.13 H new ATOM 0 HG SER A 77 -4.378 11.787 39.637 1.00 12.12 H new ATOM 1103 N GLY A 78 -1.045 14.267 37.609 1.00 71.12 N ATOM 1104 CA GLY A 78 0.195 14.986 37.836 1.00 71.12 C ATOM 1105 C GLY A 78 0.379 16.143 36.874 1.00 71.44 C ATOM 1106 O GLY A 78 -0.540 16.932 36.659 1.00 71.35 O ATOM 0 H GLY A 78 -1.891 14.828 37.710 1.00 71.12 H new ATOM 0 HA2 GLY A 78 0.211 15.362 38.859 1.00 71.12 H new ATOM 0 HA3 GLY A 78 1.034 14.298 37.736 1.00 71.12 H new ATOM 1110 N ASN A 79 1.571 16.245 36.294 1.00 33.43 N ATOM 1111 CA ASN A 79 1.873 17.315 35.351 1.00 0.33 C ATOM 1112 C ASN A 79 2.498 16.757 34.076 1.00 30.14 C ATOM 1113 O ASN A 79 3.698 16.887 33.836 1.00 64.54 O ATOM 1114 CB ASN A 79 2.817 18.335 35.991 1.00 2.21 C ATOM 1115 CG ASN A 79 2.814 19.664 35.260 1.00 20.12 C ATOM 1116 OD1 ASN A 79 1.789 20.089 34.727 1.00 1.43 O ATOM 1117 ND2 ASN A 79 3.965 20.326 35.232 1.00 53.20 N ATOM 0 H ASN A 79 2.343 15.600 36.461 1.00 33.43 H new ATOM 0 HA ASN A 79 0.938 17.809 35.089 1.00 0.33 H new ATOM 0 HB2 ASN A 79 2.526 18.494 37.029 1.00 2.21 H new ATOM 0 HB3 ASN A 79 3.830 17.932 36.002 1.00 2.21 H new ATOM 0 HD21 ASN A 79 4.025 21.225 34.755 1.00 53.20 H new ATOM 0 HD22 ASN A 79 4.789 19.935 35.688 1.00 53.20 H new ATOM 1124 N PRO A 80 1.666 16.121 33.239 1.00 75.30 N ATOM 1125 CA PRO A 80 2.114 15.531 31.974 1.00 75.30 C ATOM 1126 C PRO A 80 2.498 16.588 30.945 1.00 53.40 C ATOM 1127 O PRO A 80 1.732 16.884 30.027 1.00 61.24 O ATOM 1128 CB PRO A 80 0.892 14.741 31.498 1.00 15.05 C ATOM 1129 CG PRO A 80 -0.271 15.422 32.135 1.00 24.43 C ATOM 1130 CD PRO A 80 0.223 15.929 33.462 1.00 33.22 C ATOM 0 HA PRO A 80 3.009 14.922 32.103 1.00 75.30 H new ATOM 0 HB2 PRO A 80 0.811 14.753 30.411 1.00 15.05 H new ATOM 0 HB3 PRO A 80 0.954 13.696 31.801 1.00 15.05 H new ATOM 0 HG2 PRO A 80 -0.632 16.242 31.514 1.00 24.43 H new ATOM 0 HG3 PRO A 80 -1.104 14.731 32.266 1.00 24.43 H new ATOM 0 HD2 PRO A 80 -0.267 16.861 33.744 1.00 33.22 H new ATOM 0 HD3 PRO A 80 0.032 15.214 34.262 1.00 33.22 H new ATOM 1138 N THR A 81 3.689 17.157 31.103 1.00 22.35 N ATOM 1139 CA THR A 81 4.175 18.182 30.189 1.00 53.13 C ATOM 1140 C THR A 81 4.657 17.567 28.880 1.00 43.41 C ATOM 1141 O THR A 81 5.513 16.682 28.878 1.00 70.13 O ATOM 1142 CB THR A 81 5.323 18.995 30.815 1.00 41.51 C ATOM 1143 OG1 THR A 81 5.581 18.534 32.146 1.00 65.14 O ATOM 1144 CG2 THR A 81 4.983 20.478 30.844 1.00 61.10 C ATOM 0 H THR A 81 4.335 16.924 31.857 1.00 22.35 H new ATOM 0 HA THR A 81 3.337 18.849 29.987 1.00 53.13 H new ATOM 0 HB THR A 81 6.214 18.854 30.203 1.00 41.51 H new ATOM 0 HG1 THR A 81 6.313 19.055 32.536 1.00 65.14 H new ATOM 0 HG21 THR A 81 5.809 21.032 31.290 1.00 61.10 H new ATOM 0 HG22 THR A 81 4.816 20.833 29.827 1.00 61.10 H new ATOM 0 HG23 THR A 81 4.081 20.633 31.435 1.00 61.10 H new ATOM 1152 N ILE A 82 4.104 18.043 27.769 1.00 23.31 N ATOM 1153 CA ILE A 82 4.481 17.540 26.454 1.00 53.34 C ATOM 1154 C ILE A 82 5.356 18.545 25.711 1.00 31.53 C ATOM 1155 O ILE A 82 4.902 19.631 25.350 1.00 31.31 O ATOM 1156 CB ILE A 82 3.241 17.224 25.596 1.00 41.10 C ATOM 1157 CG1 ILE A 82 2.287 16.303 26.359 1.00 23.13 C ATOM 1158 CG2 ILE A 82 3.657 16.589 24.277 1.00 3.44 C ATOM 1159 CD1 ILE A 82 1.004 16.981 26.785 1.00 10.03 C ATOM 0 H ILE A 82 3.394 18.775 27.754 1.00 23.31 H new ATOM 0 HA ILE A 82 5.045 16.621 26.617 1.00 53.34 H new ATOM 0 HB ILE A 82 2.720 18.157 25.380 1.00 41.10 H new ATOM 0 HG12 ILE A 82 2.044 15.445 25.732 1.00 23.13 H new ATOM 0 HG13 ILE A 82 2.796 15.918 27.243 1.00 23.13 H new ATOM 0 HG21 ILE A 82 2.770 16.372 23.682 1.00 3.44 H new ATOM 0 HG22 ILE A 82 4.302 17.277 23.729 1.00 3.44 H new ATOM 0 HG23 ILE A 82 4.198 15.663 24.473 1.00 3.44 H new ATOM 0 HD11 ILE A 82 0.376 16.269 27.320 1.00 10.03 H new ATOM 0 HD12 ILE A 82 1.236 17.822 27.438 1.00 10.03 H new ATOM 0 HD13 ILE A 82 0.473 17.342 25.904 1.00 10.03 H new ATOM 1171 N ILE A 83 6.612 18.173 25.486 1.00 54.43 N ATOM 1172 CA ILE A 83 7.549 19.041 24.784 1.00 65.44 C ATOM 1173 C ILE A 83 7.906 18.471 23.415 1.00 60.31 C ATOM 1174 O ILE A 83 8.184 17.280 23.280 1.00 22.55 O ATOM 1175 CB ILE A 83 8.843 19.245 25.595 1.00 54.12 C ATOM 1176 CG1 ILE A 83 8.513 19.733 27.007 1.00 51.42 C ATOM 1177 CG2 ILE A 83 9.761 20.231 24.888 1.00 14.33 C ATOM 1178 CD1 ILE A 83 7.754 21.042 27.032 1.00 62.21 C ATOM 0 H ILE A 83 7.003 17.278 25.779 1.00 54.43 H new ATOM 0 HA ILE A 83 7.053 20.003 24.657 1.00 65.44 H new ATOM 0 HB ILE A 83 9.361 18.289 25.673 1.00 54.12 H new ATOM 0 HG12 ILE A 83 7.924 18.971 27.518 1.00 51.42 H new ATOM 0 HG13 ILE A 83 9.440 19.849 27.569 1.00 51.42 H new ATOM 0 HG21 ILE A 83 10.671 20.365 25.473 1.00 14.33 H new ATOM 0 HG22 ILE A 83 10.017 19.846 23.901 1.00 14.33 H new ATOM 0 HG23 ILE A 83 9.253 21.190 24.783 1.00 14.33 H new ATOM 0 HD11 ILE A 83 7.554 21.327 28.065 1.00 62.21 H new ATOM 0 HD12 ILE A 83 8.350 21.817 26.550 1.00 62.21 H new ATOM 0 HD13 ILE A 83 6.810 20.926 26.499 1.00 62.21 H new ATOM 1190 N ALA A 84 7.897 19.331 22.402 1.00 63.55 N ATOM 1191 CA ALA A 84 8.224 18.914 21.043 1.00 35.13 C ATOM 1192 C ALA A 84 9.521 19.558 20.568 1.00 3.42 C ATOM 1193 O ALA A 84 9.708 20.769 20.694 1.00 44.12 O ATOM 1194 CB ALA A 84 7.083 19.259 20.097 1.00 2.11 C ATOM 0 H ALA A 84 7.667 20.320 22.496 1.00 63.55 H new ATOM 0 HA ALA A 84 8.366 17.833 21.045 1.00 35.13 H new ATOM 0 HB1 ALA A 84 7.340 18.942 19.086 1.00 2.11 H new ATOM 0 HB2 ALA A 84 6.176 18.746 20.418 1.00 2.11 H new ATOM 0 HB3 ALA A 84 6.914 20.336 20.108 1.00 2.11 H new ATOM 1200 N THR A 85 10.417 18.742 20.022 1.00 20.30 N ATOM 1201 CA THR A 85 11.698 19.232 19.530 1.00 62.11 C ATOM 1202 C THR A 85 11.918 18.831 18.076 1.00 44.13 C ATOM 1203 O THR A 85 11.916 17.646 17.741 1.00 53.20 O ATOM 1204 CB THR A 85 12.867 18.700 20.380 1.00 64.42 C ATOM 1205 OG1 THR A 85 12.704 19.101 21.744 1.00 13.45 O ATOM 1206 CG2 THR A 85 14.198 19.213 19.851 1.00 23.30 C ATOM 0 H THR A 85 10.279 17.738 19.909 1.00 20.30 H new ATOM 0 HA THR A 85 11.670 20.319 19.604 1.00 62.11 H new ATOM 0 HB THR A 85 12.865 17.612 20.319 1.00 64.42 H new ATOM 0 HG1 THR A 85 13.451 18.757 22.278 1.00 13.45 H new ATOM 0 HG21 THR A 85 15.009 18.824 20.467 1.00 23.30 H new ATOM 0 HG22 THR A 85 14.333 18.881 18.822 1.00 23.30 H new ATOM 0 HG23 THR A 85 14.207 20.302 19.885 1.00 23.30 H new ATOM 1214 N TYR A 86 12.109 19.825 17.216 1.00 44.15 N ATOM 1215 CA TYR A 86 12.330 19.576 15.796 1.00 75.31 C ATOM 1216 C TYR A 86 13.122 20.713 15.159 1.00 4.14 C ATOM 1217 O TYR A 86 12.599 21.806 14.945 1.00 23.21 O ATOM 1218 CB TYR A 86 10.992 19.405 15.073 1.00 22.53 C ATOM 1219 CG TYR A 86 11.119 18.772 13.706 1.00 45.33 C ATOM 1220 CD1 TYR A 86 11.942 17.672 13.501 1.00 21.41 C ATOM 1221 CD2 TYR A 86 10.416 19.276 12.618 1.00 20.52 C ATOM 1222 CE1 TYR A 86 12.062 17.091 12.253 1.00 11.52 C ATOM 1223 CE2 TYR A 86 10.528 18.701 11.367 1.00 65.11 C ATOM 1224 CZ TYR A 86 11.353 17.609 11.189 1.00 10.54 C ATOM 1225 OH TYR A 86 11.468 17.034 9.945 1.00 65.50 O ATOM 0 H TYR A 86 12.115 20.811 17.477 1.00 44.15 H new ATOM 0 HA TYR A 86 12.908 18.657 15.701 1.00 75.31 H new ATOM 0 HB2 TYR A 86 10.332 18.793 15.688 1.00 22.53 H new ATOM 0 HB3 TYR A 86 10.517 20.381 14.970 1.00 22.53 H new ATOM 0 HD1 TYR A 86 12.498 17.264 14.332 1.00 21.41 H new ATOM 0 HD2 TYR A 86 9.771 20.132 12.753 1.00 20.52 H new ATOM 0 HE1 TYR A 86 12.707 16.236 12.111 1.00 11.52 H new ATOM 0 HE2 TYR A 86 9.973 19.104 10.533 1.00 65.11 H new ATOM 0 HH TYR A 86 10.903 17.518 9.307 1.00 65.50 H new ATOM 1235 N GLY A 87 14.390 20.447 14.859 1.00 71.42 N ATOM 1236 CA GLY A 87 15.236 21.456 14.249 1.00 12.13 C ATOM 1237 C GLY A 87 15.705 22.498 15.246 1.00 64.54 C ATOM 1238 O GLY A 87 16.294 22.162 16.273 1.00 3.22 O ATOM 0 H GLY A 87 14.846 19.550 15.028 1.00 71.42 H new ATOM 0 HA2 GLY A 87 16.103 20.974 13.797 1.00 12.13 H new ATOM 0 HA3 GLY A 87 14.688 21.947 13.445 1.00 12.13 H new ATOM 1242 N SER A 88 15.446 23.765 14.941 1.00 41.11 N ATOM 1243 CA SER A 88 15.851 24.860 15.815 1.00 63.30 C ATOM 1244 C SER A 88 14.646 25.449 16.542 1.00 24.33 C ATOM 1245 O SER A 88 14.761 26.452 17.247 1.00 62.41 O ATOM 1246 CB SER A 88 16.557 25.951 15.007 1.00 23.45 C ATOM 1247 OG SER A 88 17.804 26.290 15.589 1.00 21.34 O ATOM 0 H SER A 88 14.958 24.059 14.095 1.00 41.11 H new ATOM 0 HA SER A 88 16.543 24.463 16.558 1.00 63.30 H new ATOM 0 HB2 SER A 88 16.711 25.608 13.984 1.00 23.45 H new ATOM 0 HB3 SER A 88 15.924 26.837 14.955 1.00 23.45 H new ATOM 0 HG SER A 88 18.236 26.988 15.053 1.00 21.34 H new ATOM 1253 N VAL A 89 13.490 24.817 16.366 1.00 51.52 N ATOM 1254 CA VAL A 89 12.263 25.277 17.005 1.00 32.02 C ATOM 1255 C VAL A 89 11.616 24.162 17.819 1.00 23.30 C ATOM 1256 O VAL A 89 11.650 22.995 17.429 1.00 71.24 O ATOM 1257 CB VAL A 89 11.249 25.794 15.967 1.00 11.25 C ATOM 1258 CG1 VAL A 89 9.956 26.218 16.649 1.00 65.14 C ATOM 1259 CG2 VAL A 89 11.843 26.945 15.170 1.00 3.54 C ATOM 0 H VAL A 89 13.378 23.985 15.786 1.00 51.52 H new ATOM 0 HA VAL A 89 12.540 26.095 17.670 1.00 32.02 H new ATOM 0 HB VAL A 89 11.018 24.984 15.275 1.00 11.25 H new ATOM 0 HG11 VAL A 89 9.252 26.580 15.900 1.00 65.14 H new ATOM 0 HG12 VAL A 89 9.523 25.365 17.171 1.00 65.14 H new ATOM 0 HG13 VAL A 89 10.166 27.013 17.365 1.00 65.14 H new ATOM 0 HG21 VAL A 89 11.113 27.298 14.441 1.00 3.54 H new ATOM 0 HG22 VAL A 89 12.104 27.759 15.846 1.00 3.54 H new ATOM 0 HG23 VAL A 89 12.738 26.604 14.650 1.00 3.54 H new ATOM 1269 N SER A 90 11.027 24.529 18.953 1.00 63.23 N ATOM 1270 CA SER A 90 10.375 23.559 19.824 1.00 22.33 C ATOM 1271 C SER A 90 9.077 24.125 20.392 1.00 70.32 C ATOM 1272 O SER A 90 8.912 25.339 20.502 1.00 31.23 O ATOM 1273 CB SER A 90 11.311 23.157 20.966 1.00 63.54 C ATOM 1274 OG SER A 90 12.294 24.151 21.194 1.00 43.55 O ATOM 0 H SER A 90 10.988 25.491 19.290 1.00 63.23 H new ATOM 0 HA SER A 90 10.138 22.677 19.230 1.00 22.33 H new ATOM 0 HB2 SER A 90 10.732 22.998 21.876 1.00 63.54 H new ATOM 0 HB3 SER A 90 11.795 22.210 20.727 1.00 63.54 H new ATOM 0 HG SER A 90 12.878 23.871 21.929 1.00 43.55 H new ATOM 1280 N GLY A 91 8.157 23.234 20.750 1.00 1.04 N ATOM 1281 CA GLY A 91 6.885 23.662 21.302 1.00 10.50 C ATOM 1282 C GLY A 91 6.640 23.110 22.692 1.00 4.33 C ATOM 1283 O GLY A 91 7.326 22.187 23.130 1.00 10.52 O ATOM 0 H GLY A 91 8.270 22.224 20.668 1.00 1.04 H new ATOM 0 HA2 GLY A 91 6.856 24.751 21.337 1.00 10.50 H new ATOM 0 HA3 GLY A 91 6.080 23.342 20.641 1.00 10.50 H new ATOM 1287 N ASN A 92 5.661 23.678 23.389 1.00 72.42 N ATOM 1288 CA ASN A 92 5.329 23.238 24.739 1.00 21.41 C ATOM 1289 C ASN A 92 3.818 23.225 24.951 1.00 3.13 C ATOM 1290 O ASN A 92 3.128 24.198 24.645 1.00 5.44 O ATOM 1291 CB ASN A 92 5.993 24.150 25.773 1.00 60.43 C ATOM 1292 CG ASN A 92 5.433 23.947 27.167 1.00 14.12 C ATOM 1293 OD1 ASN A 92 5.177 22.819 27.588 1.00 62.42 O ATOM 1294 ND2 ASN A 92 5.238 25.043 27.891 1.00 4.15 N ATOM 0 H ASN A 92 5.084 24.444 23.041 1.00 72.42 H new ATOM 0 HA ASN A 92 5.704 22.223 24.866 1.00 21.41 H new ATOM 0 HB2 ASN A 92 7.066 23.961 25.784 1.00 60.43 H new ATOM 0 HB3 ASN A 92 5.856 25.190 25.477 1.00 60.43 H new ATOM 0 HD21 ASN A 92 4.862 24.970 28.836 1.00 4.15 H new ATOM 0 HD22 ASN A 92 5.464 25.958 27.502 1.00 4.15 H new ATOM 1301 N THR A 93 3.309 22.116 25.478 1.00 22.33 N ATOM 1302 CA THR A 93 1.881 21.975 25.731 1.00 11.43 C ATOM 1303 C THR A 93 1.623 21.349 27.097 1.00 63.21 C ATOM 1304 O THR A 93 2.244 20.349 27.458 1.00 24.13 O ATOM 1305 CB THR A 93 1.200 21.117 24.649 1.00 62.24 C ATOM 1306 OG1 THR A 93 2.046 21.020 23.497 1.00 32.41 O ATOM 1307 CG2 THR A 93 -0.142 21.712 24.250 1.00 44.51 C ATOM 0 H THR A 93 3.865 21.302 25.738 1.00 22.33 H new ATOM 0 HA THR A 93 1.456 22.979 25.708 1.00 11.43 H new ATOM 0 HB THR A 93 1.030 20.122 25.060 1.00 62.24 H new ATOM 0 HG1 THR A 93 1.767 20.257 22.949 1.00 32.41 H new ATOM 0 HG21 THR A 93 -0.603 21.088 23.485 1.00 44.51 H new ATOM 0 HG22 THR A 93 -0.794 21.758 25.123 1.00 44.51 H new ATOM 0 HG23 THR A 93 0.008 22.717 23.857 1.00 44.51 H new ATOM 1315 N ILE A 94 0.704 21.942 27.851 1.00 41.00 N ATOM 1316 CA ILE A 94 0.364 21.440 29.176 1.00 31.14 C ATOM 1317 C ILE A 94 -1.051 20.870 29.202 1.00 5.51 C ATOM 1318 O ILE A 94 -1.971 21.438 28.612 1.00 0.13 O ATOM 1319 CB ILE A 94 0.480 22.544 30.244 1.00 41.13 C ATOM 1320 CG1 ILE A 94 -0.776 23.417 30.244 1.00 12.52 C ATOM 1321 CG2 ILE A 94 1.720 23.390 29.997 1.00 1.43 C ATOM 1322 CD1 ILE A 94 -0.969 24.200 28.964 1.00 62.20 C ATOM 0 H ILE A 94 0.182 22.771 27.567 1.00 41.00 H new ATOM 0 HA ILE A 94 1.077 20.648 29.405 1.00 31.14 H new ATOM 0 HB ILE A 94 0.573 22.075 31.223 1.00 41.13 H new ATOM 0 HG12 ILE A 94 -1.648 22.784 30.408 1.00 12.52 H new ATOM 0 HG13 ILE A 94 -0.725 24.113 31.082 1.00 12.52 H new ATOM 0 HG21 ILE A 94 1.789 24.166 30.759 1.00 1.43 H new ATOM 0 HG22 ILE A 94 2.607 22.758 30.042 1.00 1.43 H new ATOM 0 HG23 ILE A 94 1.654 23.853 29.013 1.00 1.43 H new ATOM 0 HD11 ILE A 94 -1.879 24.796 29.036 1.00 62.20 H new ATOM 0 HD12 ILE A 94 -0.115 24.859 28.808 1.00 62.20 H new ATOM 0 HD13 ILE A 94 -1.053 23.510 28.124 1.00 62.20 H new ATOM 1334 N LEU A 95 -1.217 19.747 29.890 1.00 33.44 N ATOM 1335 CA LEU A 95 -2.521 19.100 29.995 1.00 2.15 C ATOM 1336 C LEU A 95 -2.896 18.865 31.455 1.00 23.51 C ATOM 1337 O LEU A 95 -2.046 18.526 32.279 1.00 22.44 O ATOM 1338 CB LEU A 95 -2.516 17.771 29.238 1.00 43.44 C ATOM 1339 CG LEU A 95 -3.689 16.833 29.521 1.00 70.34 C ATOM 1340 CD1 LEU A 95 -4.993 17.446 29.034 1.00 2.25 C ATOM 1341 CD2 LEU A 95 -3.458 15.478 28.866 1.00 12.25 C ATOM 0 H LEU A 95 -0.466 19.265 30.384 1.00 33.44 H new ATOM 0 HA LEU A 95 -3.264 19.762 29.550 1.00 2.15 H new ATOM 0 HB2 LEU A 95 -2.497 17.985 28.169 1.00 43.44 H new ATOM 0 HB3 LEU A 95 -1.591 17.245 29.474 1.00 43.44 H new ATOM 0 HG LEU A 95 -3.760 16.687 30.599 1.00 70.34 H new ATOM 0 HD11 LEU A 95 -5.817 16.764 29.244 1.00 2.25 H new ATOM 0 HD12 LEU A 95 -5.165 18.392 29.548 1.00 2.25 H new ATOM 0 HD13 LEU A 95 -4.933 17.623 27.960 1.00 2.25 H new ATOM 0 HD21 LEU A 95 -4.303 14.823 29.078 1.00 12.25 H new ATOM 0 HD22 LEU A 95 -3.360 15.607 27.788 1.00 12.25 H new ATOM 0 HD23 LEU A 95 -2.545 15.033 29.263 1.00 12.25 H new ATOM 1353 N THR A 96 -4.175 19.044 31.769 1.00 51.32 N ATOM 1354 CA THR A 96 -4.663 18.851 33.128 1.00 33.52 C ATOM 1355 C THR A 96 -5.231 17.448 33.314 1.00 64.20 C ATOM 1356 O THR A 96 -6.291 17.120 32.781 1.00 41.40 O ATOM 1357 CB THR A 96 -5.749 19.883 33.488 1.00 63.32 C ATOM 1358 OG1 THR A 96 -5.199 21.205 33.450 1.00 34.51 O ATOM 1359 CG2 THR A 96 -6.322 19.606 34.869 1.00 35.42 C ATOM 0 H THR A 96 -4.892 19.323 31.099 1.00 51.32 H new ATOM 0 HA THR A 96 -3.809 18.986 33.792 1.00 33.52 H new ATOM 0 HB THR A 96 -6.553 19.803 32.756 1.00 63.32 H new ATOM 0 HG1 THR A 96 -5.843 21.838 33.830 1.00 34.51 H new ATOM 0 HG21 THR A 96 -7.087 20.347 35.101 1.00 35.42 H new ATOM 0 HG22 THR A 96 -6.765 18.610 34.886 1.00 35.42 H new ATOM 0 HG23 THR A 96 -5.526 19.662 35.611 1.00 35.42 H new ATOM 1367 N VAL A 97 -4.518 16.622 34.074 1.00 11.21 N ATOM 1368 CA VAL A 97 -4.952 15.254 34.332 1.00 41.31 C ATOM 1369 C VAL A 97 -5.246 15.041 35.813 1.00 63.25 C ATOM 1370 O VAL A 97 -4.416 15.340 36.670 1.00 42.22 O ATOM 1371 CB VAL A 97 -3.891 14.234 33.878 1.00 50.11 C ATOM 1372 CG1 VAL A 97 -3.854 14.142 32.360 1.00 30.41 C ATOM 1373 CG2 VAL A 97 -2.524 14.606 34.431 1.00 3.11 C ATOM 0 H VAL A 97 -3.638 16.877 34.522 1.00 11.21 H new ATOM 0 HA VAL A 97 -5.865 15.097 33.757 1.00 41.31 H new ATOM 0 HB VAL A 97 -4.162 13.254 34.271 1.00 50.11 H new ATOM 0 HG11 VAL A 97 -3.099 13.417 32.058 1.00 30.41 H new ATOM 0 HG12 VAL A 97 -4.829 13.825 31.991 1.00 30.41 H new ATOM 0 HG13 VAL A 97 -3.607 15.118 31.942 1.00 30.41 H new ATOM 0 HG21 VAL A 97 -1.786 13.875 34.100 1.00 3.11 H new ATOM 0 HG22 VAL A 97 -2.242 15.595 34.069 1.00 3.11 H new ATOM 0 HG23 VAL A 97 -2.562 14.616 35.520 1.00 3.11 H new ATOM 1383 N ASN A 98 -6.433 14.520 36.105 1.00 10.25 N ATOM 1384 CA ASN A 98 -6.837 14.266 37.484 1.00 52.15 C ATOM 1385 C ASN A 98 -7.253 12.810 37.669 1.00 64.21 C ATOM 1386 O ASN A 98 -8.355 12.521 38.134 1.00 55.31 O ATOM 1387 CB ASN A 98 -7.990 15.191 37.878 1.00 54.24 C ATOM 1388 CG ASN A 98 -7.878 16.561 37.237 1.00 45.02 C ATOM 1389 OD1 ASN A 98 -6.849 17.229 37.350 1.00 73.44 O ATOM 1390 ND2 ASN A 98 -8.938 16.986 36.560 1.00 42.42 N ATOM 0 H ASN A 98 -7.132 14.266 35.407 1.00 10.25 H new ATOM 0 HA ASN A 98 -5.982 14.466 38.130 1.00 52.15 H new ATOM 0 HB2 ASN A 98 -8.935 14.733 37.587 1.00 54.24 H new ATOM 0 HB3 ASN A 98 -8.010 15.301 38.962 1.00 54.24 H new ATOM 0 HD21 ASN A 98 -8.921 17.900 36.107 1.00 42.42 H new ATOM 0 HD22 ASN A 98 -9.769 16.399 36.493 1.00 42.42 H new ATOM 1397 N LYS A 99 -6.361 11.895 37.303 1.00 74.15 N ATOM 1398 CA LYS A 99 -6.633 10.468 37.429 1.00 23.14 C ATOM 1399 C LYS A 99 -6.742 10.063 38.896 1.00 41.20 C ATOM 1400 O LYS A 99 -5.733 9.849 39.569 1.00 0.20 O ATOM 1401 CB LYS A 99 -5.531 9.656 36.746 1.00 64.42 C ATOM 1402 CG LYS A 99 -5.620 8.163 37.013 1.00 55.01 C ATOM 1403 CD LYS A 99 -4.512 7.695 37.941 1.00 33.11 C ATOM 1404 CE LYS A 99 -5.056 6.824 39.064 1.00 50.34 C ATOM 1405 NZ LYS A 99 -3.974 6.344 39.967 1.00 0.52 N ATOM 0 H LYS A 99 -5.443 12.117 36.917 1.00 74.15 H new ATOM 0 HA LYS A 99 -7.585 10.260 36.941 1.00 23.14 H new ATOM 0 HB2 LYS A 99 -5.579 9.828 35.671 1.00 64.42 H new ATOM 0 HB3 LYS A 99 -4.561 10.020 37.084 1.00 64.42 H new ATOM 0 HG2 LYS A 99 -6.589 7.929 37.454 1.00 55.01 H new ATOM 0 HG3 LYS A 99 -5.560 7.620 36.070 1.00 55.01 H new ATOM 0 HD2 LYS A 99 -3.771 7.135 37.371 1.00 33.11 H new ATOM 0 HD3 LYS A 99 -4.001 8.560 38.365 1.00 33.11 H new ATOM 0 HE2 LYS A 99 -5.786 7.390 39.642 1.00 50.34 H new ATOM 0 HE3 LYS A 99 -5.580 5.968 38.639 1.00 50.34 H new ATOM 0 HZ1 LYS A 99 -4.385 5.754 40.719 1.00 0.52 H new ATOM 0 HZ2 LYS A 99 -3.290 5.782 39.421 1.00 0.52 H new ATOM 0 HZ3 LYS A 99 -3.490 7.160 40.393 1.00 0.52 H new ATOM 1419 N THR A 100 -7.973 9.958 39.386 1.00 12.13 N ATOM 1420 CA THR A 100 -8.214 9.579 40.773 1.00 70.34 C ATOM 1421 C THR A 100 -8.461 8.080 40.897 1.00 34.43 C ATOM 1422 O THR A 100 -7.991 7.439 41.838 1.00 50.42 O ATOM 1423 CB THR A 100 -9.419 10.337 41.362 1.00 64.15 C ATOM 1424 OG1 THR A 100 -9.401 11.700 40.924 1.00 50.15 O ATOM 1425 CG2 THR A 100 -9.399 10.287 42.882 1.00 44.22 C ATOM 0 H THR A 100 -8.819 10.130 38.843 1.00 12.13 H new ATOM 0 HA THR A 100 -7.318 9.845 41.334 1.00 70.34 H new ATOM 0 HB THR A 100 -10.331 9.855 41.011 1.00 64.15 H new ATOM 0 HG1 THR A 100 -10.171 12.175 41.301 1.00 50.15 H new ATOM 0 HG21 THR A 100 -10.259 10.829 43.275 1.00 44.22 H new ATOM 0 HG22 THR A 100 -9.442 9.249 43.212 1.00 44.22 H new ATOM 0 HG23 THR A 100 -8.482 10.747 43.249 1.00 44.22 H new ATOM 1433 N ASP A 101 -9.201 7.526 39.943 1.00 33.43 N ATOM 1434 CA ASP A 101 -9.510 6.100 39.946 1.00 43.35 C ATOM 1435 C ASP A 101 -8.517 5.328 39.082 1.00 53.24 C ATOM 1436 O ASP A 101 -7.829 5.906 38.239 1.00 34.02 O ATOM 1437 CB ASP A 101 -10.935 5.864 39.442 1.00 5.22 C ATOM 1438 CG ASP A 101 -11.496 4.532 39.898 1.00 33.13 C ATOM 1439 OD1 ASP A 101 -11.496 4.274 41.121 1.00 43.45 O ATOM 1440 OD2 ASP A 101 -11.937 3.747 39.033 1.00 14.21 O ATOM 0 H ASP A 101 -9.598 8.042 39.158 1.00 33.43 H new ATOM 0 HA ASP A 101 -9.431 5.738 40.971 1.00 43.35 H new ATOM 0 HB2 ASP A 101 -11.581 6.668 39.796 1.00 5.22 H new ATOM 0 HB3 ASP A 101 -10.944 5.905 38.353 1.00 5.22 H new ATOM 1445 N THR A 102 -8.447 4.018 39.297 1.00 50.22 N ATOM 1446 CA THR A 102 -7.538 3.167 38.540 1.00 4.01 C ATOM 1447 C THR A 102 -6.084 3.531 38.819 1.00 42.34 C ATOM 1448 O THR A 102 -5.193 2.687 38.725 1.00 65.13 O ATOM 1449 CB THR A 102 -7.800 3.271 37.026 1.00 70.02 C ATOM 1450 OG1 THR A 102 -9.193 3.501 36.785 1.00 44.14 O ATOM 1451 CG2 THR A 102 -7.359 2.002 36.312 1.00 75.10 C ATOM 0 H THR A 102 -9.009 3.523 39.990 1.00 50.22 H new ATOM 0 HA THR A 102 -7.722 2.142 38.863 1.00 4.01 H new ATOM 0 HB THR A 102 -7.221 4.108 36.636 1.00 70.02 H new ATOM 0 HG1 THR A 102 -9.351 3.568 35.820 1.00 44.14 H new ATOM 0 HG21 THR A 102 -7.554 2.099 35.244 1.00 75.10 H new ATOM 0 HG22 THR A 102 -6.292 1.846 36.473 1.00 75.10 H new ATOM 0 HG23 THR A 102 -7.914 1.151 36.706 1.00 75.10 H new TER 1459 THR A 102