USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 924 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 126 HIS :FLIP no HD1:sc= -0.02 F(o=-1.2,f=-0.02) USER MOD Set 1.2: A 127 HIS : no HD1:sc= 0 X(o=-0.02,f=-0.026) USER MOD Set 2.1: A 93 GLN :FLIP amide:sc= -1.19 F(o=-3!,f=-0.53) USER MOD Set 2.2: A 112 SER OG : rot 64:sc= 1.44 USER MOD Set 2.3: A 115 GLN : amide:sc= -0.788! C(o=-0.53!,f=-3.4!) USER MOD Set 3.1: A 97 ASN : amide:sc= 0.195 K(o=0.43,f=-0.42) USER MOD Set 3.2: A 108 THR OG1 : rot -88:sc= 0.239 USER MOD Set 4.1: A 78 MET CE :methyl 162:sc= -0.116 (180deg=-0.691) USER MOD Set 4.2: A 80 THR OG1 : rot 61:sc= 1.23 USER MOD Set 5.1: A 69 ASN :FLIP amide:sc= -0.464 F(o=-1.5!,f=-0.17) USER MOD Set 5.2: A 74 LYS NZ :NH3+ -117:sc= 0.298 (180deg=-0.221!) USER MOD Set 6.1: A 71 ASN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 6.2: A 72 THR OG1 : rot -140:sc= -0.291 USER MOD Set 6.3: A 89 ASN : amide:sc= -0.919 K(o=-1.2,f=-11!) USER MOD Set 7.1: A 56 GLN : amide:sc= 0.186 K(o=0.38,f=-8.6!) USER MOD Set 7.2: A 59 GLN : amide:sc= 0.198 K(o=0.38,f=-5.7!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.209 (180deg=-0.923) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.374! C(o=-0.37!,f=-3.9!) USER MOD Single : A 11 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.1) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 19 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.8!) USER MOD Single : A 20 ASN : amide:sc= -0.0591 K(o=-0.059,f=-1.3) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 31 GLN : amide:sc= -0.0555 X(o=-0.056,f=-0.056) USER MOD Single : A 32 ASN : amide:sc= -0.0144 K(o=-0.014,f=-0.97) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -0.0206 (180deg=-0.148) USER MOD Single : A 38 SER OG : rot -73:sc= 0.699 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.122 K(o=-0.12,f=-0.89!) USER MOD Single : A 55 THR OG1 : rot -26:sc= 0.0182 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.072 X(o=-0.072,f=-0.0074) USER MOD Single : A 68 SER OG : rot -106:sc= 1.16 USER MOD Single : A 81 ASN : amide:sc= -0.0165 K(o=-0.016,f=-0.92) USER MOD Single : A 83 TYR OH : rot 58:sc= 0.839 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.294 F(o=-3.3!,f=-0.29) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -34:sc= -0.447! USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= -0.4 K(o=-0.4,f=-2.4!) USER MOD Single : A 117 ASN : amide:sc= -0.0126 K(o=-0.013,f=-1.9!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 124 HIS :FLIP no HD1:sc= 0.263 F(o=-1.9!,f=0.26) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 61.639 -13.708 10.237 1.00 0.00 N ATOM 2 CA MET A 1 62.653 -12.831 9.615 1.00 52.33 C ATOM 3 C MET A 1 62.057 -12.088 8.425 1.00 71.33 C ATOM 4 O MET A 1 61.926 -12.654 7.337 1.00 1.24 O ATOM 5 CB MET A 1 63.863 -13.654 9.165 1.00 2.44 C ATOM 6 CG MET A 1 64.980 -12.820 8.554 1.00 75.50 C ATOM 7 SD MET A 1 66.421 -13.807 8.108 1.00 21.34 S ATOM 8 CE MET A 1 66.883 -14.473 9.709 1.00 13.04 C ATOM 0 H1 MET A 1 62.061 -14.207 11.046 1.00 0.00 H new ATOM 0 H2 MET A 1 60.837 -13.133 10.565 1.00 0.00 H new ATOM 0 H3 MET A 1 61.305 -14.402 9.538 1.00 0.00 H new ATOM 0 HA MET A 1 62.978 -12.101 10.356 1.00 52.33 H new ATOM 0 HB2 MET A 1 64.257 -14.201 10.021 1.00 2.44 H new ATOM 0 HB3 MET A 1 63.536 -14.396 8.436 1.00 2.44 H new ATOM 0 HG2 MET A 1 64.604 -12.311 7.666 1.00 75.50 H new ATOM 0 HG3 MET A 1 65.279 -12.047 9.262 1.00 75.50 H new ATOM 0 HE1 MET A 1 67.923 -14.800 9.681 1.00 13.04 H new ATOM 0 HE2 MET A 1 66.765 -13.703 10.471 1.00 13.04 H new ATOM 0 HE3 MET A 1 66.242 -15.322 9.949 1.00 13.04 H new ATOM 20 N ALA A 2 61.671 -10.828 8.654 1.00 12.30 N ATOM 21 CA ALA A 2 61.120 -9.962 7.612 1.00 21.34 C ATOM 22 C ALA A 2 59.791 -10.478 7.067 1.00 14.20 C ATOM 23 O ALA A 2 59.304 -11.541 7.457 1.00 72.13 O ATOM 24 CB ALA A 2 62.125 -9.780 6.482 1.00 74.23 C ATOM 0 H ALA A 2 61.733 -10.382 9.569 1.00 12.30 H new ATOM 0 HA ALA A 2 60.922 -8.994 8.073 1.00 21.34 H new ATOM 0 HB1 ALA A 2 61.698 -9.133 5.716 1.00 74.23 H new ATOM 0 HB2 ALA A 2 63.035 -9.326 6.874 1.00 74.23 H new ATOM 0 HB3 ALA A 2 62.362 -10.751 6.046 1.00 74.23 H new ATOM 30 N GLY A 3 59.190 -9.693 6.188 1.00 50.23 N ATOM 31 CA GLY A 3 57.972 -10.113 5.533 1.00 65.14 C ATOM 32 C GLY A 3 58.246 -10.869 4.248 1.00 23.21 C ATOM 33 O GLY A 3 59.070 -11.786 4.222 1.00 32.24 O ATOM 0 H GLY A 3 59.526 -8.769 5.916 1.00 50.23 H new ATOM 0 HA2 GLY A 3 57.397 -10.745 6.209 1.00 65.14 H new ATOM 0 HA3 GLY A 3 57.358 -9.239 5.315 1.00 65.14 H new ATOM 37 N THR A 4 57.558 -10.496 3.183 1.00 43.32 N ATOM 38 CA THR A 4 57.782 -11.119 1.892 1.00 31.21 C ATOM 39 C THR A 4 58.429 -10.120 0.935 1.00 2.41 C ATOM 40 O THR A 4 59.561 -10.318 0.491 1.00 63.23 O ATOM 41 CB THR A 4 56.469 -11.656 1.290 1.00 4.31 C ATOM 42 OG1 THR A 4 55.754 -12.411 2.279 1.00 72.25 O ATOM 43 CG2 THR A 4 56.751 -12.545 0.089 1.00 71.44 C ATOM 0 H THR A 4 56.843 -9.768 3.187 1.00 43.32 H new ATOM 0 HA THR A 4 58.453 -11.965 2.039 1.00 31.21 H new ATOM 0 HB THR A 4 55.868 -10.806 0.967 1.00 4.31 H new ATOM 0 HG1 THR A 4 54.919 -12.749 1.892 1.00 72.25 H new ATOM 0 HG21 THR A 4 55.810 -12.913 -0.320 1.00 71.44 H new ATOM 0 HG22 THR A 4 57.278 -11.971 -0.673 1.00 71.44 H new ATOM 0 HG23 THR A 4 57.367 -13.389 0.398 1.00 71.44 H new ATOM 51 N MET A 5 57.707 -9.036 0.651 1.00 11.31 N ATOM 52 CA MET A 5 58.207 -7.957 -0.201 1.00 75.43 C ATOM 53 C MET A 5 57.160 -6.858 -0.326 1.00 15.13 C ATOM 54 O MET A 5 57.411 -5.715 0.054 1.00 24.32 O ATOM 55 CB MET A 5 58.587 -8.468 -1.595 1.00 22.24 C ATOM 56 CG MET A 5 59.210 -7.402 -2.484 1.00 23.44 C ATOM 57 SD MET A 5 59.730 -8.046 -4.086 1.00 11.43 S ATOM 58 CE MET A 5 60.481 -6.587 -4.804 1.00 45.42 C ATOM 0 H MET A 5 56.762 -8.881 1.004 1.00 11.31 H new ATOM 0 HA MET A 5 59.105 -7.556 0.269 1.00 75.43 H new ATOM 0 HB2 MET A 5 59.287 -9.297 -1.491 1.00 22.24 H new ATOM 0 HB3 MET A 5 57.696 -8.862 -2.084 1.00 22.24 H new ATOM 0 HG2 MET A 5 58.491 -6.597 -2.637 1.00 23.44 H new ATOM 0 HG3 MET A 5 60.071 -6.968 -1.975 1.00 23.44 H new ATOM 0 HE1 MET A 5 60.854 -6.823 -5.801 1.00 45.42 H new ATOM 0 HE2 MET A 5 59.739 -5.792 -4.873 1.00 45.42 H new ATOM 0 HE3 MET A 5 61.309 -6.257 -4.176 1.00 45.42 H new ATOM 68 N THR A 6 55.984 -7.217 -0.853 1.00 41.42 N ATOM 69 CA THR A 6 54.892 -6.264 -1.063 1.00 43.12 C ATOM 70 C THR A 6 55.228 -5.306 -2.216 1.00 64.43 C ATOM 71 O THR A 6 56.395 -4.992 -2.458 1.00 60.42 O ATOM 72 CB THR A 6 54.582 -5.471 0.231 1.00 74.21 C ATOM 73 OG1 THR A 6 54.374 -6.382 1.321 1.00 54.11 O ATOM 74 CG2 THR A 6 53.346 -4.602 0.067 1.00 62.12 C ATOM 0 H THR A 6 55.765 -8.170 -1.144 1.00 41.42 H new ATOM 0 HA THR A 6 54.000 -6.830 -1.330 1.00 43.12 H new ATOM 0 HB THR A 6 55.435 -4.824 0.438 1.00 74.21 H new ATOM 0 HG1 THR A 6 54.180 -5.876 2.138 1.00 54.11 H new ATOM 0 HG21 THR A 6 53.157 -4.059 0.993 1.00 62.12 H new ATOM 0 HG22 THR A 6 53.506 -3.891 -0.744 1.00 62.12 H new ATOM 0 HG23 THR A 6 52.487 -5.231 -0.166 1.00 62.12 H new ATOM 82 N PHE A 7 54.212 -4.861 -2.945 1.00 42.33 N ATOM 83 CA PHE A 7 54.428 -4.004 -4.105 1.00 74.33 C ATOM 84 C PHE A 7 54.695 -2.552 -3.698 1.00 63.13 C ATOM 85 O PHE A 7 55.705 -1.969 -4.083 1.00 64.35 O ATOM 86 CB PHE A 7 53.225 -4.066 -5.053 1.00 24.13 C ATOM 87 CG PHE A 7 52.966 -5.435 -5.618 1.00 71.12 C ATOM 88 CD1 PHE A 7 53.906 -6.056 -6.426 1.00 75.04 C ATOM 89 CD2 PHE A 7 51.781 -6.101 -5.345 1.00 54.44 C ATOM 90 CE1 PHE A 7 53.672 -7.314 -6.948 1.00 24.44 C ATOM 91 CE2 PHE A 7 51.541 -7.360 -5.866 1.00 13.11 C ATOM 92 CZ PHE A 7 52.488 -7.967 -6.667 1.00 63.23 C ATOM 0 H PHE A 7 53.234 -5.078 -2.755 1.00 42.33 H new ATOM 0 HA PHE A 7 55.312 -4.377 -4.621 1.00 74.33 H new ATOM 0 HB2 PHE A 7 52.336 -3.730 -4.519 1.00 24.13 H new ATOM 0 HB3 PHE A 7 53.386 -3.369 -5.875 1.00 24.13 H new ATOM 0 HD1 PHE A 7 54.833 -5.550 -6.650 1.00 75.04 H new ATOM 0 HD2 PHE A 7 51.037 -5.632 -4.719 1.00 54.44 H new ATOM 0 HE1 PHE A 7 54.414 -7.786 -7.575 1.00 24.44 H new ATOM 0 HE2 PHE A 7 50.613 -7.868 -5.646 1.00 13.11 H new ATOM 0 HZ PHE A 7 52.303 -8.951 -7.073 1.00 63.23 H new ATOM 102 N GLN A 8 53.790 -1.975 -2.917 1.00 31.11 N ATOM 103 CA GLN A 8 53.882 -0.560 -2.557 1.00 22.32 C ATOM 104 C GLN A 8 54.172 -0.380 -1.069 1.00 73.41 C ATOM 105 O GLN A 8 53.931 0.687 -0.506 1.00 70.13 O ATOM 106 CB GLN A 8 52.590 0.184 -2.940 1.00 44.31 C ATOM 107 CG GLN A 8 51.337 -0.278 -2.197 1.00 2.34 C ATOM 108 CD GLN A 8 50.885 -1.669 -2.592 1.00 35.43 C ATOM 109 OE1 GLN A 8 51.277 -2.663 -1.979 1.00 50.31 O ATOM 110 NE2 GLN A 8 50.075 -1.752 -3.632 1.00 14.45 N ATOM 0 H GLN A 8 52.985 -2.461 -2.520 1.00 31.11 H new ATOM 0 HA GLN A 8 54.714 -0.133 -3.117 1.00 22.32 H new ATOM 0 HB2 GLN A 8 52.733 1.249 -2.755 1.00 44.31 H new ATOM 0 HB3 GLN A 8 52.424 0.066 -4.011 1.00 44.31 H new ATOM 0 HG2 GLN A 8 51.531 -0.257 -1.125 1.00 2.34 H new ATOM 0 HG3 GLN A 8 50.528 0.427 -2.389 1.00 2.34 H new ATOM 0 HE21 GLN A 8 49.773 -0.904 -4.112 1.00 14.45 H new ATOM 0 HE22 GLN A 8 49.751 -2.664 -3.955 1.00 14.45 H new ATOM 119 N PHE A 9 54.718 -1.428 -0.458 1.00 73.24 N ATOM 120 CA PHE A 9 55.064 -1.435 0.967 1.00 4.13 C ATOM 121 C PHE A 9 53.821 -1.296 1.853 1.00 32.53 C ATOM 122 O PHE A 9 53.305 -2.291 2.371 1.00 20.24 O ATOM 123 CB PHE A 9 56.087 -0.335 1.293 1.00 55.13 C ATOM 124 CG PHE A 9 56.669 -0.438 2.675 1.00 3.12 C ATOM 125 CD1 PHE A 9 56.224 0.388 3.695 1.00 54.02 C ATOM 126 CD2 PHE A 9 57.660 -1.364 2.953 1.00 53.11 C ATOM 127 CE1 PHE A 9 56.759 0.293 4.966 1.00 4.52 C ATOM 128 CE2 PHE A 9 58.199 -1.464 4.221 1.00 31.40 C ATOM 129 CZ PHE A 9 57.746 -0.634 5.230 1.00 63.11 C ATOM 0 H PHE A 9 54.935 -2.302 -0.937 1.00 73.24 H new ATOM 0 HA PHE A 9 55.519 -2.402 1.183 1.00 4.13 H new ATOM 0 HB2 PHE A 9 56.896 -0.377 0.564 1.00 55.13 H new ATOM 0 HB3 PHE A 9 55.608 0.638 1.182 1.00 55.13 H new ATOM 0 HD1 PHE A 9 55.450 1.114 3.494 1.00 54.02 H new ATOM 0 HD2 PHE A 9 58.016 -2.016 2.169 1.00 53.11 H new ATOM 0 HE1 PHE A 9 56.405 0.944 5.752 1.00 4.52 H new ATOM 0 HE2 PHE A 9 58.973 -2.189 4.424 1.00 31.40 H new ATOM 0 HZ PHE A 9 58.164 -0.711 6.223 1.00 63.11 H new ATOM 139 N ARG A 10 53.330 -0.071 2.017 1.00 62.51 N ATOM 140 CA ARG A 10 52.182 0.180 2.875 1.00 44.32 C ATOM 141 C ARG A 10 51.512 1.495 2.482 1.00 21.34 C ATOM 142 O ARG A 10 51.782 2.541 3.069 1.00 35.21 O ATOM 143 CB ARG A 10 52.623 0.209 4.348 1.00 21.20 C ATOM 144 CG ARG A 10 51.537 -0.168 5.350 1.00 72.03 C ATOM 145 CD ARG A 10 50.545 0.961 5.590 1.00 53.43 C ATOM 146 NE ARG A 10 49.518 0.585 6.560 1.00 61.25 N ATOM 147 CZ ARG A 10 48.819 1.453 7.294 1.00 52.03 C ATOM 148 NH1 ARG A 10 49.035 2.761 7.190 1.00 11.40 N1+ ATOM 149 NH2 ARG A 10 47.910 1.008 8.148 1.00 60.33 N ATOM 0 H ARG A 10 53.711 0.761 1.566 1.00 62.51 H new ATOM 0 HA ARG A 10 51.457 -0.625 2.749 1.00 44.32 H new ATOM 0 HB2 ARG A 10 53.465 -0.471 4.474 1.00 21.20 H new ATOM 0 HB3 ARG A 10 52.984 1.210 4.585 1.00 21.20 H new ATOM 0 HG2 ARG A 10 51.002 -1.046 4.987 1.00 72.03 H new ATOM 0 HG3 ARG A 10 52.001 -0.446 6.296 1.00 72.03 H new ATOM 0 HD2 ARG A 10 51.077 1.842 5.948 1.00 53.43 H new ATOM 0 HD3 ARG A 10 50.071 1.235 4.647 1.00 53.43 H new ATOM 0 HE ARG A 10 49.322 -0.408 6.684 1.00 61.25 H new ATOM 0 HH11 ARG A 10 49.742 3.111 6.543 1.00 11.40 H new ATOM 0 HH12 ARG A 10 48.494 3.414 7.757 1.00 11.40 H new ATOM 0 HH21 ARG A 10 47.747 0.006 8.243 1.00 60.33 H new ATOM 0 HH22 ARG A 10 47.373 1.668 8.711 1.00 60.33 H new ATOM 163 N ASN A 11 50.668 1.437 1.462 1.00 4.11 N ATOM 164 CA ASN A 11 49.940 2.614 0.988 1.00 44.33 C ATOM 165 C ASN A 11 48.449 2.304 0.890 1.00 62.55 C ATOM 166 O ASN A 11 47.957 1.879 -0.155 1.00 3.33 O ATOM 167 CB ASN A 11 50.478 3.088 -0.367 1.00 42.41 C ATOM 168 CG ASN A 11 51.799 3.830 -0.251 1.00 62.50 C ATOM 169 OD1 ASN A 11 52.058 4.521 0.736 1.00 63.14 O ATOM 170 ND2 ASN A 11 52.644 3.694 -1.258 1.00 43.24 N ATOM 0 H ASN A 11 50.467 0.583 0.941 1.00 4.11 H new ATOM 0 HA ASN A 11 50.088 3.419 1.707 1.00 44.33 H new ATOM 0 HB2 ASN A 11 50.607 2.227 -1.023 1.00 42.41 H new ATOM 0 HB3 ASN A 11 49.741 3.739 -0.837 1.00 42.41 H new ATOM 0 HD21 ASN A 11 53.546 4.170 -1.235 1.00 43.24 H new ATOM 0 HD22 ASN A 11 52.394 3.113 -2.058 1.00 43.24 H new ATOM 177 N PRO A 12 47.721 2.477 2.001 1.00 71.33 N ATOM 178 CA PRO A 12 46.309 2.105 2.102 1.00 34.14 C ATOM 179 C PRO A 12 45.377 3.064 1.368 1.00 51.42 C ATOM 180 O PRO A 12 45.164 4.194 1.812 1.00 63.23 O ATOM 181 CB PRO A 12 46.023 2.150 3.610 1.00 5.44 C ATOM 182 CG PRO A 12 47.342 2.381 4.271 1.00 13.40 C ATOM 183 CD PRO A 12 48.209 3.055 3.253 1.00 22.12 C ATOM 0 HA PRO A 12 46.131 1.133 1.642 1.00 34.14 H new ATOM 0 HB2 PRO A 12 45.321 2.948 3.851 1.00 5.44 H new ATOM 0 HB3 PRO A 12 45.574 1.217 3.950 1.00 5.44 H new ATOM 0 HG2 PRO A 12 47.229 3.003 5.159 1.00 13.40 H new ATOM 0 HG3 PRO A 12 47.784 1.439 4.596 1.00 13.40 H new ATOM 0 HD2 PRO A 12 48.094 4.139 3.273 1.00 22.12 H new ATOM 0 HD3 PRO A 12 49.266 2.844 3.414 1.00 22.12 H new ATOM 191 N ASN A 13 44.845 2.588 0.241 1.00 41.30 N ATOM 192 CA ASN A 13 43.814 3.290 -0.532 1.00 75.43 C ATOM 193 C ASN A 13 44.339 4.556 -1.205 1.00 53.44 C ATOM 194 O ASN A 13 44.832 5.478 -0.555 1.00 60.03 O ATOM 195 CB ASN A 13 42.596 3.632 0.335 1.00 5.35 C ATOM 196 CG ASN A 13 41.861 2.400 0.831 1.00 12.51 C ATOM 197 OD1 ASN A 13 42.117 1.907 1.929 1.00 74.54 O ATOM 198 ND2 ASN A 13 40.944 1.887 0.023 1.00 31.22 N ATOM 0 H ASN A 13 45.120 1.694 -0.167 1.00 41.30 H new ATOM 0 HA ASN A 13 43.510 2.598 -1.317 1.00 75.43 H new ATOM 0 HB2 ASN A 13 42.920 4.225 1.190 1.00 5.35 H new ATOM 0 HB3 ASN A 13 41.909 4.252 -0.241 1.00 5.35 H new ATOM 0 HD21 ASN A 13 40.424 1.056 0.305 1.00 31.22 H new ATOM 0 HD22 ASN A 13 40.759 2.323 -0.880 1.00 31.22 H new ATOM 205 N PHE A 14 44.215 4.589 -2.521 1.00 62.35 N ATOM 206 CA PHE A 14 44.574 5.759 -3.299 1.00 0.14 C ATOM 207 C PHE A 14 43.317 6.568 -3.588 1.00 75.23 C ATOM 208 O PHE A 14 42.274 6.005 -3.928 1.00 23.43 O ATOM 209 CB PHE A 14 45.263 5.343 -4.606 1.00 41.22 C ATOM 210 CG PHE A 14 45.703 6.499 -5.461 1.00 21.33 C ATOM 211 CD1 PHE A 14 44.939 6.910 -6.539 1.00 5.43 C ATOM 212 CD2 PHE A 14 46.884 7.172 -5.185 1.00 23.12 C ATOM 213 CE1 PHE A 14 45.342 7.970 -7.328 1.00 32.32 C ATOM 214 CE2 PHE A 14 47.292 8.234 -5.970 1.00 54.41 C ATOM 215 CZ PHE A 14 46.520 8.633 -7.043 1.00 3.14 C ATOM 0 H PHE A 14 43.864 3.809 -3.077 1.00 62.35 H new ATOM 0 HA PHE A 14 45.275 6.372 -2.732 1.00 0.14 H new ATOM 0 HB2 PHE A 14 46.132 4.730 -4.367 1.00 41.22 H new ATOM 0 HB3 PHE A 14 44.580 4.718 -5.182 1.00 41.22 H new ATOM 0 HD1 PHE A 14 44.017 6.396 -6.766 1.00 5.43 H new ATOM 0 HD2 PHE A 14 47.492 6.863 -4.347 1.00 23.12 H new ATOM 0 HE1 PHE A 14 44.737 8.280 -8.167 1.00 32.32 H new ATOM 0 HE2 PHE A 14 48.213 8.751 -5.744 1.00 54.41 H new ATOM 0 HZ PHE A 14 46.837 9.462 -7.658 1.00 3.14 H new ATOM 225 N GLY A 15 43.410 7.876 -3.448 1.00 54.15 N ATOM 226 CA GLY A 15 42.247 8.716 -3.620 1.00 71.23 C ATOM 227 C GLY A 15 42.094 9.685 -2.475 1.00 65.22 C ATOM 228 O GLY A 15 42.207 9.302 -1.308 1.00 42.44 O ATOM 0 H GLY A 15 44.270 8.373 -3.218 1.00 54.15 H new ATOM 0 HA2 GLY A 15 42.330 9.267 -4.557 1.00 71.23 H new ATOM 0 HA3 GLY A 15 41.355 8.094 -3.694 1.00 71.23 H new ATOM 232 N GLY A 16 41.849 10.939 -2.803 1.00 14.53 N ATOM 233 CA GLY A 16 41.739 11.966 -1.791 1.00 0.24 C ATOM 234 C GLY A 16 42.441 13.233 -2.218 1.00 22.35 C ATOM 235 O GLY A 16 41.789 14.186 -2.651 1.00 73.33 O ATOM 0 H GLY A 16 41.723 11.268 -3.760 1.00 14.53 H new ATOM 0 HA2 GLY A 16 40.687 12.178 -1.597 1.00 0.24 H new ATOM 0 HA3 GLY A 16 42.169 11.606 -0.856 1.00 0.24 H new ATOM 239 N ASN A 17 43.773 13.216 -2.135 1.00 43.33 N ATOM 240 CA ASN A 17 44.615 14.361 -2.508 1.00 1.12 C ATOM 241 C ASN A 17 44.400 15.554 -1.574 1.00 62.33 C ATOM 242 O ASN A 17 43.303 15.771 -1.056 1.00 61.32 O ATOM 243 CB ASN A 17 44.354 14.789 -3.960 1.00 21.55 C ATOM 244 CG ASN A 17 44.957 13.843 -4.981 1.00 72.14 C ATOM 245 OD1 ASN A 17 45.132 12.650 -4.724 1.00 51.22 O ATOM 246 ND2 ASN A 17 45.265 14.366 -6.157 1.00 0.34 N ATOM 0 H ASN A 17 44.302 12.408 -1.807 1.00 43.33 H new ATOM 0 HA ASN A 17 45.650 14.034 -2.413 1.00 1.12 H new ATOM 0 HB2 ASN A 17 43.278 14.853 -4.125 1.00 21.55 H new ATOM 0 HB3 ASN A 17 44.761 15.788 -4.116 1.00 21.55 H new ATOM 0 HD21 ASN A 17 45.662 13.777 -6.889 1.00 0.34 H new ATOM 0 HD22 ASN A 17 45.105 15.358 -6.332 1.00 0.34 H new ATOM 253 N PRO A 18 45.462 16.333 -1.319 1.00 24.35 N ATOM 254 CA PRO A 18 45.362 17.565 -0.532 1.00 21.23 C ATOM 255 C PRO A 18 44.506 18.610 -1.239 1.00 14.44 C ATOM 256 O PRO A 18 43.871 19.453 -0.603 1.00 61.41 O ATOM 257 CB PRO A 18 46.815 18.043 -0.409 1.00 45.30 C ATOM 258 CG PRO A 18 47.650 16.857 -0.755 1.00 32.23 C ATOM 259 CD PRO A 18 46.847 16.063 -1.739 1.00 15.21 C ATOM 0 HA PRO A 18 44.886 17.401 0.435 1.00 21.23 H new ATOM 0 HB2 PRO A 18 47.014 18.875 -1.085 1.00 45.30 H new ATOM 0 HB3 PRO A 18 47.029 18.394 0.600 1.00 45.30 H new ATOM 0 HG2 PRO A 18 48.604 17.163 -1.185 1.00 32.23 H new ATOM 0 HG3 PRO A 18 47.876 16.266 0.132 1.00 32.23 H new ATOM 0 HD2 PRO A 18 47.029 16.385 -2.764 1.00 15.21 H new ATOM 0 HD3 PRO A 18 47.085 15.000 -1.692 1.00 15.21 H new ATOM 267 N ASN A 19 44.490 18.543 -2.561 1.00 23.42 N ATOM 268 CA ASN A 19 43.668 19.435 -3.365 1.00 64.52 C ATOM 269 C ASN A 19 42.465 18.671 -3.902 1.00 63.24 C ATOM 270 O ASN A 19 42.594 17.854 -4.815 1.00 74.52 O ATOM 271 CB ASN A 19 44.478 20.019 -4.528 1.00 34.52 C ATOM 272 CG ASN A 19 43.785 21.194 -5.200 1.00 65.20 C ATOM 273 OD1 ASN A 19 42.559 21.308 -5.189 1.00 30.24 O ATOM 274 ND2 ASN A 19 44.570 22.071 -5.804 1.00 44.43 N ATOM 0 H ASN A 19 45.040 17.876 -3.103 1.00 23.42 H new ATOM 0 HA ASN A 19 43.327 20.259 -2.738 1.00 64.52 H new ATOM 0 HB2 ASN A 19 45.453 20.340 -4.160 1.00 34.52 H new ATOM 0 HB3 ASN A 19 44.658 19.238 -5.267 1.00 34.52 H new ATOM 0 HD21 ASN A 19 44.163 22.875 -6.282 1.00 44.43 H new ATOM 0 HD22 ASN A 19 45.582 21.943 -5.792 1.00 44.43 H new ATOM 281 N ASN A 20 41.304 18.918 -3.318 1.00 0.34 N ATOM 282 CA ASN A 20 40.081 18.239 -3.721 1.00 2.02 C ATOM 283 C ASN A 20 38.911 19.215 -3.708 1.00 40.34 C ATOM 284 O ASN A 20 38.903 20.172 -2.931 1.00 74.24 O ATOM 285 CB ASN A 20 39.801 17.065 -2.777 1.00 1.51 C ATOM 286 CG ASN A 20 38.599 16.240 -3.197 1.00 51.11 C ATOM 287 OD1 ASN A 20 38.299 16.110 -4.384 1.00 52.43 O ATOM 288 ND2 ASN A 20 37.899 15.681 -2.226 1.00 2.01 N ATOM 0 H ASN A 20 41.182 19.588 -2.559 1.00 0.34 H new ATOM 0 HA ASN A 20 40.205 17.856 -4.734 1.00 2.02 H new ATOM 0 HB2 ASN A 20 40.680 16.422 -2.736 1.00 1.51 H new ATOM 0 HB3 ASN A 20 39.638 17.447 -1.769 1.00 1.51 H new ATOM 0 HD21 ASN A 20 37.078 15.118 -2.448 1.00 2.01 H new ATOM 0 HD22 ASN A 20 38.180 15.812 -1.254 1.00 2.01 H new ATOM 295 N GLY A 21 37.942 18.992 -4.582 1.00 62.44 N ATOM 296 CA GLY A 21 36.761 19.827 -4.609 1.00 13.55 C ATOM 297 C GLY A 21 36.027 19.747 -5.929 1.00 0.45 C ATOM 298 O GLY A 21 34.944 19.167 -6.000 1.00 25.41 O ATOM 0 H GLY A 21 37.953 18.244 -5.276 1.00 62.44 H new ATOM 0 HA2 GLY A 21 36.089 19.527 -3.804 1.00 13.55 H new ATOM 0 HA3 GLY A 21 37.046 20.861 -4.417 1.00 13.55 H new ATOM 302 N ALA A 22 36.645 20.310 -6.970 1.00 11.14 N ATOM 303 CA ALA A 22 36.048 20.387 -8.306 1.00 24.15 C ATOM 304 C ALA A 22 34.804 21.270 -8.309 1.00 21.32 C ATOM 305 O ALA A 22 33.717 20.838 -7.921 1.00 64.10 O ATOM 306 CB ALA A 22 35.724 19.001 -8.855 1.00 21.11 C ATOM 0 H ALA A 22 37.574 20.726 -6.911 1.00 11.14 H new ATOM 0 HA ALA A 22 36.789 20.843 -8.963 1.00 24.15 H new ATOM 0 HB1 ALA A 22 35.283 19.097 -9.847 1.00 21.11 H new ATOM 0 HB2 ALA A 22 36.639 18.412 -8.920 1.00 21.11 H new ATOM 0 HB3 ALA A 22 35.018 18.502 -8.191 1.00 21.11 H new ATOM 312 N PHE A 23 34.976 22.515 -8.736 1.00 32.04 N ATOM 313 CA PHE A 23 33.867 23.458 -8.803 1.00 53.22 C ATOM 314 C PHE A 23 32.884 23.048 -9.889 1.00 65.32 C ATOM 315 O PHE A 23 33.206 23.078 -11.079 1.00 62.34 O ATOM 316 CB PHE A 23 34.372 24.880 -9.060 1.00 65.22 C ATOM 317 CG PHE A 23 35.200 25.437 -7.936 1.00 71.25 C ATOM 318 CD1 PHE A 23 34.592 25.966 -6.808 1.00 53.43 C ATOM 319 CD2 PHE A 23 36.584 25.426 -8.004 1.00 21.43 C ATOM 320 CE1 PHE A 23 35.350 26.473 -5.769 1.00 0.12 C ATOM 321 CE2 PHE A 23 37.346 25.933 -6.968 1.00 3.24 C ATOM 322 CZ PHE A 23 36.728 26.456 -5.850 1.00 64.54 C ATOM 0 H PHE A 23 35.872 22.895 -9.041 1.00 32.04 H new ATOM 0 HA PHE A 23 33.355 23.444 -7.841 1.00 53.22 H new ATOM 0 HB2 PHE A 23 34.965 24.886 -9.975 1.00 65.22 H new ATOM 0 HB3 PHE A 23 33.517 25.535 -9.230 1.00 65.22 H new ATOM 0 HD1 PHE A 23 33.514 25.982 -6.740 1.00 53.43 H new ATOM 0 HD2 PHE A 23 37.073 25.017 -8.876 1.00 21.43 H new ATOM 0 HE1 PHE A 23 34.865 26.882 -4.895 1.00 0.12 H new ATOM 0 HE2 PHE A 23 38.424 25.920 -7.033 1.00 3.24 H new ATOM 0 HZ PHE A 23 37.322 26.852 -5.039 1.00 64.54 H new ATOM 332 N LEU A 24 31.693 22.653 -9.472 1.00 53.34 N ATOM 333 CA LEU A 24 30.669 22.186 -10.397 1.00 51.34 C ATOM 334 C LEU A 24 29.301 22.750 -10.025 1.00 45.44 C ATOM 335 O LEU A 24 28.275 22.344 -10.571 1.00 10.11 O ATOM 336 CB LEU A 24 30.650 20.648 -10.428 1.00 62.32 C ATOM 337 CG LEU A 24 30.694 19.945 -9.063 1.00 3.14 C ATOM 338 CD1 LEU A 24 29.332 19.964 -8.385 1.00 23.03 C ATOM 339 CD2 LEU A 24 31.187 18.515 -9.223 1.00 11.23 C ATOM 0 H LEU A 24 31.408 22.646 -8.493 1.00 53.34 H new ATOM 0 HA LEU A 24 30.909 22.547 -11.397 1.00 51.34 H new ATOM 0 HB2 LEU A 24 29.749 20.326 -10.951 1.00 62.32 H new ATOM 0 HB3 LEU A 24 31.500 20.306 -11.018 1.00 62.32 H new ATOM 0 HG LEU A 24 31.390 20.491 -8.426 1.00 3.14 H new ATOM 0 HD11 LEU A 24 29.398 19.458 -7.422 1.00 23.03 H new ATOM 0 HD12 LEU A 24 29.016 20.996 -8.232 1.00 23.03 H new ATOM 0 HD13 LEU A 24 28.605 19.451 -9.015 1.00 23.03 H new ATOM 0 HD21 LEU A 24 31.213 18.028 -8.248 1.00 11.23 H new ATOM 0 HD22 LEU A 24 30.513 17.969 -9.883 1.00 11.23 H new ATOM 0 HD23 LEU A 24 32.189 18.521 -9.653 1.00 11.23 H new ATOM 351 N LEU A 25 29.296 23.687 -9.090 1.00 14.23 N ATOM 352 CA LEU A 25 28.062 24.334 -8.663 1.00 22.42 C ATOM 353 C LEU A 25 28.110 25.825 -8.970 1.00 42.44 C ATOM 354 O LEU A 25 29.189 26.378 -9.201 1.00 41.32 O ATOM 355 CB LEU A 25 27.834 24.118 -7.164 1.00 52.44 C ATOM 356 CG LEU A 25 27.652 22.660 -6.734 1.00 3.52 C ATOM 357 CD1 LEU A 25 27.533 22.562 -5.221 1.00 35.34 C ATOM 358 CD2 LEU A 25 26.427 22.056 -7.406 1.00 34.05 C ATOM 0 H LEU A 25 30.133 24.018 -8.611 1.00 14.23 H new ATOM 0 HA LEU A 25 27.234 23.887 -9.213 1.00 22.42 H new ATOM 0 HB2 LEU A 25 28.681 24.537 -6.620 1.00 52.44 H new ATOM 0 HB3 LEU A 25 26.951 24.682 -6.862 1.00 52.44 H new ATOM 0 HG LEU A 25 28.530 22.096 -7.047 1.00 3.52 H new ATOM 0 HD11 LEU A 25 27.404 21.519 -4.933 1.00 35.34 H new ATOM 0 HD12 LEU A 25 28.438 22.957 -4.759 1.00 35.34 H new ATOM 0 HD13 LEU A 25 26.672 23.140 -4.886 1.00 35.34 H new ATOM 0 HD21 LEU A 25 26.312 21.019 -7.089 1.00 34.05 H new ATOM 0 HD22 LEU A 25 25.540 22.622 -7.122 1.00 34.05 H new ATOM 0 HD23 LEU A 25 26.550 22.093 -8.488 1.00 34.05 H new ATOM 370 N ASN A 26 26.935 26.457 -8.974 1.00 73.20 N ATOM 371 CA ASN A 26 26.797 27.898 -9.217 1.00 60.40 C ATOM 372 C ASN A 26 27.187 28.264 -10.652 1.00 55.24 C ATOM 373 O ASN A 26 28.369 28.342 -10.998 1.00 70.31 O ATOM 374 CB ASN A 26 27.625 28.711 -8.213 1.00 52.12 C ATOM 375 CG ASN A 26 27.357 30.203 -8.308 1.00 31.52 C ATOM 376 OD1 ASN A 26 26.265 30.630 -8.684 1.00 61.41 O ATOM 377 ND2 ASN A 26 28.351 31.006 -7.957 1.00 0.40 N ATOM 0 H ASN A 26 26.047 25.983 -8.808 1.00 73.20 H new ATOM 0 HA ASN A 26 25.746 28.150 -9.078 1.00 60.40 H new ATOM 0 HB2 ASN A 26 27.402 28.369 -7.202 1.00 52.12 H new ATOM 0 HB3 ASN A 26 28.685 28.524 -8.386 1.00 52.12 H new ATOM 0 HD21 ASN A 26 28.226 32.018 -7.993 1.00 0.40 H new ATOM 0 HD22 ASN A 26 29.241 30.612 -7.651 1.00 0.40 H new ATOM 384 N SER A 27 26.181 28.479 -11.484 1.00 41.42 N ATOM 385 CA SER A 27 26.400 28.822 -12.880 1.00 71.35 C ATOM 386 C SER A 27 26.590 30.333 -13.041 1.00 32.44 C ATOM 387 O SER A 27 26.429 31.091 -12.084 1.00 10.41 O ATOM 388 CB SER A 27 25.219 28.340 -13.721 1.00 30.22 C ATOM 389 OG SER A 27 25.012 26.947 -13.552 1.00 62.34 O ATOM 0 H SER A 27 25.199 28.422 -11.215 1.00 41.42 H new ATOM 0 HA SER A 27 27.308 28.328 -13.226 1.00 71.35 H new ATOM 0 HB2 SER A 27 24.318 28.883 -13.435 1.00 30.22 H new ATOM 0 HB3 SER A 27 25.403 28.559 -14.773 1.00 30.22 H new ATOM 0 HG SER A 27 24.250 26.661 -14.098 1.00 62.34 H new ATOM 395 N ALA A 28 26.949 30.763 -14.241 1.00 11.40 N ATOM 396 CA ALA A 28 27.147 32.178 -14.517 1.00 74.12 C ATOM 397 C ALA A 28 25.886 32.786 -15.106 1.00 32.20 C ATOM 398 O ALA A 28 25.459 32.411 -16.198 1.00 40.33 O ATOM 399 CB ALA A 28 28.318 32.370 -15.467 1.00 11.11 C ATOM 0 H ALA A 28 27.110 30.151 -15.041 1.00 11.40 H new ATOM 0 HA ALA A 28 27.370 32.686 -13.579 1.00 74.12 H new ATOM 0 HB1 ALA A 28 28.455 33.433 -15.665 1.00 11.11 H new ATOM 0 HB2 ALA A 28 29.223 31.965 -15.015 1.00 11.11 H new ATOM 0 HB3 ALA A 28 28.116 31.850 -16.403 1.00 11.11 H new ATOM 405 N GLN A 29 25.293 33.716 -14.379 1.00 51.32 N ATOM 406 CA GLN A 29 24.069 34.366 -14.820 1.00 50.44 C ATOM 407 C GLN A 29 24.349 35.822 -15.174 1.00 51.32 C ATOM 408 O GLN A 29 25.451 36.318 -14.924 1.00 65.31 O ATOM 409 CB GLN A 29 22.996 34.288 -13.732 1.00 25.01 C ATOM 410 CG GLN A 29 23.351 35.055 -12.466 1.00 22.41 C ATOM 411 CD GLN A 29 22.236 35.030 -11.441 1.00 13.34 C ATOM 412 OE1 GLN A 29 21.486 34.059 -11.347 1.00 43.24 O ATOM 413 NE2 GLN A 29 22.107 36.104 -10.680 1.00 45.43 N ATOM 0 H GLN A 29 25.640 34.040 -13.476 1.00 51.32 H new ATOM 0 HA GLN A 29 23.702 33.848 -15.706 1.00 50.44 H new ATOM 0 HB2 GLN A 29 22.058 34.676 -14.130 1.00 25.01 H new ATOM 0 HB3 GLN A 29 22.825 33.242 -13.477 1.00 25.01 H new ATOM 0 HG2 GLN A 29 24.253 34.628 -12.027 1.00 22.41 H new ATOM 0 HG3 GLN A 29 23.580 36.089 -12.724 1.00 22.41 H new ATOM 0 HE21 GLN A 29 22.751 36.888 -10.790 1.00 45.43 H new ATOM 0 HE22 GLN A 29 21.364 36.149 -9.983 1.00 45.43 H new ATOM 422 N ALA A 30 23.346 36.488 -15.760 1.00 32.35 N ATOM 423 CA ALA A 30 23.433 37.900 -16.166 1.00 75.25 C ATOM 424 C ALA A 30 24.338 38.076 -17.383 1.00 2.24 C ATOM 425 O ALA A 30 23.966 38.737 -18.351 1.00 44.53 O ATOM 426 CB ALA A 30 23.888 38.792 -15.014 1.00 53.52 C ATOM 0 H ALA A 30 22.444 36.060 -15.968 1.00 32.35 H new ATOM 0 HA ALA A 30 22.428 38.214 -16.448 1.00 75.25 H new ATOM 0 HB1 ALA A 30 23.940 39.827 -15.353 1.00 53.52 H new ATOM 0 HB2 ALA A 30 23.177 38.715 -14.192 1.00 53.52 H new ATOM 0 HB3 ALA A 30 24.873 38.472 -14.673 1.00 53.52 H new ATOM 432 N GLN A 31 25.521 37.485 -17.320 1.00 62.43 N ATOM 433 CA GLN A 31 26.448 37.498 -18.437 1.00 45.15 C ATOM 434 C GLN A 31 26.060 36.422 -19.445 1.00 11.34 C ATOM 435 O GLN A 31 25.473 35.403 -19.072 1.00 33.30 O ATOM 436 CB GLN A 31 27.881 37.285 -17.942 1.00 15.14 C ATOM 437 CG GLN A 31 28.066 36.014 -17.128 1.00 52.33 C ATOM 438 CD GLN A 31 29.452 35.898 -16.532 1.00 4.22 C ATOM 439 OE1 GLN A 31 29.705 36.362 -15.417 1.00 75.53 O ATOM 440 NE2 GLN A 31 30.363 35.289 -17.270 1.00 5.45 N ATOM 0 H GLN A 31 25.862 36.986 -16.498 1.00 62.43 H new ATOM 0 HA GLN A 31 26.399 38.470 -18.928 1.00 45.15 H new ATOM 0 HB2 GLN A 31 28.552 37.256 -18.801 1.00 15.14 H new ATOM 0 HB3 GLN A 31 28.177 38.141 -17.335 1.00 15.14 H new ATOM 0 HG2 GLN A 31 27.327 35.990 -16.327 1.00 52.33 H new ATOM 0 HG3 GLN A 31 27.875 35.149 -17.764 1.00 52.33 H new ATOM 0 HE21 GLN A 31 30.113 34.919 -18.187 1.00 5.45 H new ATOM 0 HE22 GLN A 31 31.317 35.189 -16.923 1.00 5.45 H new ATOM 449 N ASN A 32 26.390 36.670 -20.713 1.00 32.35 N ATOM 450 CA ASN A 32 26.022 35.789 -21.830 1.00 60.00 C ATOM 451 C ASN A 32 24.523 35.883 -22.136 1.00 24.31 C ATOM 452 O ASN A 32 23.698 36.000 -21.231 1.00 12.35 O ATOM 453 CB ASN A 32 26.419 34.329 -21.552 1.00 55.23 C ATOM 454 CG ASN A 32 26.146 33.409 -22.730 1.00 52.21 C ATOM 455 OD1 ASN A 32 26.240 33.813 -23.890 1.00 64.01 O ATOM 456 ND2 ASN A 32 25.793 32.166 -22.441 1.00 12.22 N ATOM 0 H ASN A 32 26.923 37.491 -20.999 1.00 32.35 H new ATOM 0 HA ASN A 32 26.576 36.129 -22.705 1.00 60.00 H new ATOM 0 HB2 ASN A 32 27.479 34.287 -21.302 1.00 55.23 H new ATOM 0 HB3 ASN A 32 25.872 33.968 -20.681 1.00 55.23 H new ATOM 0 HD21 ASN A 32 25.588 31.506 -23.192 1.00 12.22 H new ATOM 0 HD22 ASN A 32 25.726 31.868 -21.468 1.00 12.22 H new ATOM 463 N SER A 33 24.188 35.843 -23.427 1.00 43.41 N ATOM 464 CA SER A 33 22.799 35.912 -23.881 1.00 24.32 C ATOM 465 C SER A 33 22.167 37.253 -23.497 1.00 0.13 C ATOM 466 O SER A 33 21.136 37.301 -22.822 1.00 23.01 O ATOM 467 CB SER A 33 21.989 34.751 -23.295 1.00 74.21 C ATOM 468 OG SER A 33 22.623 33.506 -23.548 1.00 5.52 O ATOM 0 H SER A 33 24.868 35.762 -24.183 1.00 43.41 H new ATOM 0 HA SER A 33 22.790 35.831 -24.968 1.00 24.32 H new ATOM 0 HB2 SER A 33 21.872 34.891 -22.220 1.00 74.21 H new ATOM 0 HB3 SER A 33 20.988 34.747 -23.727 1.00 74.21 H new ATOM 0 HG SER A 33 22.087 32.782 -23.162 1.00 5.52 H new ATOM 474 N TYR A 34 22.775 38.335 -23.966 1.00 44.31 N ATOM 475 CA TYR A 34 22.349 39.677 -23.592 1.00 61.24 C ATOM 476 C TYR A 34 21.151 40.134 -24.418 1.00 73.24 C ATOM 477 O TYR A 34 21.288 40.909 -25.368 1.00 62.43 O ATOM 478 CB TYR A 34 23.502 40.671 -23.749 1.00 13.13 C ATOM 479 CG TYR A 34 24.683 40.377 -22.855 1.00 74.24 C ATOM 480 CD1 TYR A 34 24.695 40.798 -21.531 1.00 25.42 C ATOM 481 CD2 TYR A 34 25.782 39.675 -23.332 1.00 64.13 C ATOM 482 CE1 TYR A 34 25.772 40.526 -20.707 1.00 53.30 C ATOM 483 CE2 TYR A 34 26.862 39.401 -22.516 1.00 70.13 C ATOM 484 CZ TYR A 34 26.853 39.827 -21.206 1.00 21.34 C ATOM 485 OH TYR A 34 27.922 39.545 -20.387 1.00 74.43 O ATOM 0 H TYR A 34 23.567 38.309 -24.608 1.00 44.31 H new ATOM 0 HA TYR A 34 22.046 39.645 -22.545 1.00 61.24 H new ATOM 0 HB2 TYR A 34 23.834 40.668 -24.787 1.00 13.13 H new ATOM 0 HB3 TYR A 34 23.136 41.675 -23.534 1.00 13.13 H new ATOM 0 HD1 TYR A 34 23.851 41.346 -21.139 1.00 25.42 H new ATOM 0 HD2 TYR A 34 25.792 39.338 -24.358 1.00 64.13 H new ATOM 0 HE1 TYR A 34 25.767 40.858 -19.679 1.00 53.30 H new ATOM 0 HE2 TYR A 34 27.710 38.855 -22.903 1.00 70.13 H new ATOM 0 HH TYR A 34 28.598 39.046 -20.892 1.00 74.43 H new ATOM 495 N LYS A 35 19.984 39.623 -24.066 1.00 52.32 N ATOM 496 CA LYS A 35 18.732 40.052 -24.670 1.00 32.34 C ATOM 497 C LYS A 35 17.742 40.404 -23.568 1.00 3.52 C ATOM 498 O LYS A 35 18.132 40.569 -22.412 1.00 34.43 O ATOM 499 CB LYS A 35 18.148 38.966 -25.587 1.00 4.45 C ATOM 500 CG LYS A 35 18.970 38.718 -26.847 1.00 64.01 C ATOM 501 CD LYS A 35 18.179 37.945 -27.896 1.00 53.33 C ATOM 502 CE LYS A 35 17.815 36.543 -27.433 1.00 71.43 C ATOM 503 NZ LYS A 35 19.017 35.704 -27.191 1.00 25.44 N1+ ATOM 0 H LYS A 35 19.876 38.900 -23.355 1.00 52.32 H new ATOM 0 HA LYS A 35 18.925 40.929 -25.287 1.00 32.34 H new ATOM 0 HB2 LYS A 35 18.069 38.034 -25.027 1.00 4.45 H new ATOM 0 HB3 LYS A 35 17.136 39.252 -25.875 1.00 4.45 H new ATOM 0 HG2 LYS A 35 19.292 39.672 -27.265 1.00 64.01 H new ATOM 0 HG3 LYS A 35 19.872 38.162 -26.589 1.00 64.01 H new ATOM 0 HD2 LYS A 35 17.268 38.493 -28.136 1.00 53.33 H new ATOM 0 HD3 LYS A 35 18.764 37.881 -28.814 1.00 53.33 H new ATOM 0 HE2 LYS A 35 17.227 36.605 -26.517 1.00 71.43 H new ATOM 0 HE3 LYS A 35 17.186 36.066 -28.184 1.00 71.43 H new ATOM 0 HZ1 LYS A 35 18.727 34.716 -27.043 1.00 25.44 H new ATOM 0 HZ2 LYS A 35 19.650 35.759 -28.014 1.00 25.44 H new ATOM 0 HZ3 LYS A 35 19.516 36.048 -26.346 1.00 25.44 H new ATOM 517 N ASP A 36 16.472 40.518 -23.919 1.00 74.53 N ATOM 518 CA ASP A 36 15.453 40.896 -22.950 1.00 12.22 C ATOM 519 C ASP A 36 15.209 39.768 -21.949 1.00 2.12 C ATOM 520 O ASP A 36 15.283 38.586 -22.292 1.00 1.02 O ATOM 521 CB ASP A 36 14.147 41.274 -23.658 1.00 13.10 C ATOM 522 CG ASP A 36 13.516 40.117 -24.408 1.00 53.20 C ATOM 523 OD1 ASP A 36 14.121 39.641 -25.395 1.00 0.23 O ATOM 524 OD2 ASP A 36 12.404 39.696 -24.029 1.00 61.43 O1- ATOM 0 H ASP A 36 16.121 40.355 -24.863 1.00 74.53 H new ATOM 0 HA ASP A 36 15.814 41.767 -22.403 1.00 12.22 H new ATOM 0 HB2 ASP A 36 13.438 41.650 -22.921 1.00 13.10 H new ATOM 0 HB3 ASP A 36 14.343 42.088 -24.357 1.00 13.10 H new ATOM 529 N PRO A 37 14.956 40.133 -20.681 1.00 13.20 N ATOM 530 CA PRO A 37 14.665 39.183 -19.593 1.00 63.51 C ATOM 531 C PRO A 37 13.471 38.274 -19.870 1.00 54.33 C ATOM 532 O PRO A 37 12.662 38.541 -20.757 1.00 45.11 O ATOM 533 CB PRO A 37 14.338 40.092 -18.404 1.00 21.24 C ATOM 534 CG PRO A 37 14.083 41.434 -18.995 1.00 41.34 C ATOM 535 CD PRO A 37 14.983 41.514 -20.182 1.00 70.22 C ATOM 0 HA PRO A 37 15.506 38.506 -19.442 1.00 63.51 H new ATOM 0 HB2 PRO A 37 13.466 39.730 -17.860 1.00 21.24 H new ATOM 0 HB3 PRO A 37 15.165 40.125 -17.695 1.00 21.24 H new ATOM 0 HG2 PRO A 37 13.038 41.545 -19.285 1.00 41.34 H new ATOM 0 HG3 PRO A 37 14.302 42.227 -18.280 1.00 41.34 H new ATOM 0 HD2 PRO A 37 14.617 42.223 -20.924 1.00 70.22 H new ATOM 0 HD3 PRO A 37 15.990 41.830 -19.910 1.00 70.22 H new ATOM 543 N SER A 38 13.370 37.201 -19.091 1.00 14.04 N ATOM 544 CA SER A 38 12.242 36.289 -19.178 1.00 55.00 C ATOM 545 C SER A 38 10.959 37.002 -18.747 1.00 15.51 C ATOM 546 O SER A 38 10.098 37.292 -19.576 1.00 61.15 O ATOM 547 CB SER A 38 12.496 35.046 -18.313 1.00 62.11 C ATOM 548 OG SER A 38 11.517 34.043 -18.539 1.00 2.22 O ATOM 0 H SER A 38 14.063 36.944 -18.388 1.00 14.04 H new ATOM 0 HA SER A 38 12.124 35.964 -20.212 1.00 55.00 H new ATOM 0 HB2 SER A 38 13.486 34.645 -18.533 1.00 62.11 H new ATOM 0 HB3 SER A 38 12.493 35.328 -17.260 1.00 62.11 H new ATOM 0 HG SER A 38 10.671 34.313 -18.125 1.00 2.22 H new ATOM 554 N TYR A 39 10.839 37.307 -17.455 1.00 43.44 N ATOM 555 CA TYR A 39 9.674 38.028 -16.946 1.00 20.45 C ATOM 556 C TYR A 39 10.088 39.050 -15.893 1.00 62.10 C ATOM 557 O TYR A 39 11.116 38.887 -15.231 1.00 24.30 O ATOM 558 CB TYR A 39 8.652 37.063 -16.333 1.00 32.34 C ATOM 559 CG TYR A 39 8.110 36.023 -17.293 1.00 55.01 C ATOM 560 CD1 TYR A 39 8.564 34.713 -17.246 1.00 1.41 C ATOM 561 CD2 TYR A 39 7.146 36.351 -18.238 1.00 62.40 C ATOM 562 CE1 TYR A 39 8.075 33.756 -18.116 1.00 74.42 C ATOM 563 CE2 TYR A 39 6.651 35.400 -19.111 1.00 23.44 C ATOM 564 CZ TYR A 39 7.118 34.104 -19.049 1.00 40.22 C ATOM 565 OH TYR A 39 6.626 33.153 -19.919 1.00 3.35 O ATOM 0 H TYR A 39 11.531 37.067 -16.745 1.00 43.44 H new ATOM 0 HA TYR A 39 9.216 38.543 -17.791 1.00 20.45 H new ATOM 0 HB2 TYR A 39 9.115 36.552 -15.489 1.00 32.34 H new ATOM 0 HB3 TYR A 39 7.818 37.642 -15.937 1.00 32.34 H new ATOM 0 HD1 TYR A 39 9.312 34.436 -16.518 1.00 1.41 H new ATOM 0 HD2 TYR A 39 6.777 37.365 -18.292 1.00 62.40 H new ATOM 0 HE1 TYR A 39 8.440 32.741 -18.066 1.00 74.42 H new ATOM 0 HE2 TYR A 39 5.901 35.671 -19.839 1.00 23.44 H new ATOM 0 HH TYR A 39 5.960 33.563 -20.509 1.00 3.35 H new ATOM 575 N ASN A 40 9.290 40.111 -15.767 1.00 65.22 N ATOM 576 CA ASN A 40 9.445 41.109 -14.702 1.00 3.22 C ATOM 577 C ASN A 40 10.815 41.782 -14.724 1.00 70.45 C ATOM 578 O ASN A 40 11.324 42.196 -13.680 1.00 15.21 O ATOM 579 CB ASN A 40 9.200 40.474 -13.329 1.00 75.20 C ATOM 580 CG ASN A 40 7.751 40.070 -13.123 1.00 64.02 C ATOM 581 OD1 ASN A 40 7.364 38.935 -13.404 1.00 40.50 O ATOM 582 ND2 ASN A 40 6.934 41.002 -12.646 1.00 70.04 N ATOM 0 H ASN A 40 8.515 40.305 -16.401 1.00 65.22 H new ATOM 0 HA ASN A 40 8.698 41.881 -14.886 1.00 3.22 H new ATOM 0 HB2 ASN A 40 9.837 39.596 -13.220 1.00 75.20 H new ATOM 0 HB3 ASN A 40 9.491 41.178 -12.550 1.00 75.20 H new ATOM 0 HD21 ASN A 40 5.947 40.789 -12.500 1.00 70.04 H new ATOM 0 HD22 ASN A 40 7.293 41.931 -12.425 1.00 70.04 H new ATOM 589 N ASP A 41 11.398 41.905 -15.915 1.00 1.43 N ATOM 590 CA ASP A 41 12.680 42.596 -16.095 1.00 42.41 C ATOM 591 C ASP A 41 13.793 41.889 -15.315 1.00 73.04 C ATOM 592 O ASP A 41 14.697 42.525 -14.778 1.00 20.40 O ATOM 593 CB ASP A 41 12.566 44.066 -15.665 1.00 75.34 C ATOM 594 CG ASP A 41 13.678 44.926 -16.237 1.00 44.10 C ATOM 595 OD1 ASP A 41 13.683 45.147 -17.466 1.00 61.14 O ATOM 596 OD2 ASP A 41 14.538 45.396 -15.465 1.00 31.02 O1- ATOM 0 H ASP A 41 11.002 41.533 -16.778 1.00 1.43 H new ATOM 0 HA ASP A 41 12.937 42.567 -17.154 1.00 42.41 H new ATOM 0 HB2 ASP A 41 11.603 44.462 -15.987 1.00 75.34 H new ATOM 0 HB3 ASP A 41 12.588 44.126 -14.577 1.00 75.34 H new ATOM 601 N ASP A 42 13.705 40.560 -15.279 1.00 64.11 N ATOM 602 CA ASP A 42 14.695 39.696 -14.619 1.00 22.32 C ATOM 603 C ASP A 42 16.133 40.114 -14.959 1.00 12.21 C ATOM 604 O ASP A 42 16.868 40.596 -14.101 1.00 2.23 O ATOM 605 CB ASP A 42 14.443 38.242 -15.042 1.00 70.12 C ATOM 606 CG ASP A 42 15.496 37.267 -14.549 1.00 70.01 C ATOM 607 OD1 ASP A 42 15.409 36.815 -13.388 1.00 24.15 O ATOM 608 OD2 ASP A 42 16.388 36.913 -15.348 1.00 23.10 O1- ATOM 0 H ASP A 42 12.938 40.043 -15.710 1.00 64.11 H new ATOM 0 HA ASP A 42 14.582 39.796 -13.539 1.00 22.32 H new ATOM 0 HB2 ASP A 42 13.468 37.929 -14.668 1.00 70.12 H new ATOM 0 HB3 ASP A 42 14.398 38.193 -16.130 1.00 70.12 H new ATOM 613 N PHE A 43 16.522 39.939 -16.215 1.00 34.33 N ATOM 614 CA PHE A 43 17.833 40.379 -16.678 1.00 42.52 C ATOM 615 C PHE A 43 17.711 41.635 -17.532 1.00 55.15 C ATOM 616 O PHE A 43 18.466 41.823 -18.480 1.00 42.21 O ATOM 617 CB PHE A 43 18.533 39.276 -17.480 1.00 45.40 C ATOM 618 CG PHE A 43 19.050 38.142 -16.640 1.00 60.21 C ATOM 619 CD1 PHE A 43 19.065 36.848 -17.134 1.00 61.42 C ATOM 620 CD2 PHE A 43 19.522 38.370 -15.357 1.00 74.23 C ATOM 621 CE1 PHE A 43 19.539 35.802 -16.364 1.00 3.13 C ATOM 622 CE2 PHE A 43 19.997 37.329 -14.583 1.00 34.35 C ATOM 623 CZ PHE A 43 20.006 36.044 -15.088 1.00 75.22 C ATOM 0 H PHE A 43 15.949 39.495 -16.932 1.00 34.33 H new ATOM 0 HA PHE A 43 18.434 40.605 -15.797 1.00 42.52 H new ATOM 0 HB2 PHE A 43 17.835 38.879 -18.218 1.00 45.40 H new ATOM 0 HB3 PHE A 43 19.365 39.714 -18.031 1.00 45.40 H new ATOM 0 HD1 PHE A 43 18.702 36.654 -18.133 1.00 61.42 H new ATOM 0 HD2 PHE A 43 19.518 39.373 -14.958 1.00 74.23 H new ATOM 0 HE1 PHE A 43 19.544 34.797 -16.760 1.00 3.13 H new ATOM 0 HE2 PHE A 43 20.361 37.520 -13.584 1.00 34.35 H new ATOM 0 HZ PHE A 43 20.378 35.229 -14.485 1.00 75.22 H new ATOM 633 N GLY A 44 16.779 42.514 -17.167 1.00 3.11 N ATOM 634 CA GLY A 44 16.585 43.748 -17.914 1.00 42.15 C ATOM 635 C GLY A 44 17.622 44.794 -17.560 1.00 3.45 C ATOM 636 O GLY A 44 17.578 45.928 -18.041 1.00 74.52 O ATOM 0 H GLY A 44 16.155 42.394 -16.369 1.00 3.11 H new ATOM 0 HA2 GLY A 44 16.633 43.537 -18.982 1.00 42.15 H new ATOM 0 HA3 GLY A 44 15.589 44.142 -17.712 1.00 42.15 H new ATOM 640 N ILE A 45 18.550 44.402 -16.707 1.00 51.24 N ATOM 641 CA ILE A 45 19.612 45.290 -16.253 1.00 71.42 C ATOM 642 C ILE A 45 20.945 44.898 -16.884 1.00 20.41 C ATOM 643 O ILE A 45 21.706 45.762 -17.330 1.00 25.51 O ATOM 644 CB ILE A 45 19.745 45.263 -14.713 1.00 34.42 C ATOM 645 CG1 ILE A 45 18.395 45.583 -14.056 1.00 11.31 C ATOM 646 CG2 ILE A 45 20.810 46.251 -14.254 1.00 54.24 C ATOM 647 CD1 ILE A 45 18.419 45.507 -12.544 1.00 75.24 C ATOM 0 H ILE A 45 18.592 43.464 -16.309 1.00 51.24 H new ATOM 0 HA ILE A 45 19.348 46.301 -16.563 1.00 71.42 H new ATOM 0 HB ILE A 45 20.050 44.262 -14.408 1.00 34.42 H new ATOM 0 HG12 ILE A 45 18.084 46.584 -14.355 1.00 11.31 H new ATOM 0 HG13 ILE A 45 17.644 44.889 -14.434 1.00 11.31 H new ATOM 0 HG21 ILE A 45 20.891 46.220 -13.167 1.00 54.24 H new ATOM 0 HG22 ILE A 45 21.769 45.984 -14.697 1.00 54.24 H new ATOM 0 HG23 ILE A 45 20.533 47.257 -14.568 1.00 54.24 H new ATOM 0 HD11 ILE A 45 17.430 45.746 -12.152 1.00 75.24 H new ATOM 0 HD12 ILE A 45 18.699 44.500 -12.235 1.00 75.24 H new ATOM 0 HD13 ILE A 45 19.145 46.221 -12.155 1.00 75.24 H new ATOM 659 N GLU A 46 21.206 43.586 -16.931 1.00 65.21 N ATOM 660 CA GLU A 46 22.453 43.042 -17.478 1.00 41.54 C ATOM 661 C GLU A 46 23.659 43.498 -16.653 1.00 5.12 C ATOM 662 O GLU A 46 23.508 43.968 -15.523 1.00 43.23 O ATOM 663 CB GLU A 46 22.612 43.449 -18.948 1.00 55.55 C ATOM 664 CG GLU A 46 21.568 42.825 -19.861 1.00 14.53 C ATOM 665 CD GLU A 46 21.564 43.430 -21.250 1.00 0.14 C ATOM 666 OE1 GLU A 46 20.594 44.144 -21.585 1.00 65.32 O ATOM 667 OE2 GLU A 46 22.520 43.197 -22.014 1.00 5.55 O1- ATOM 0 H GLU A 46 20.560 42.874 -16.591 1.00 65.21 H new ATOM 0 HA GLU A 46 22.405 41.954 -17.424 1.00 41.54 H new ATOM 0 HB2 GLU A 46 22.551 44.534 -19.026 1.00 55.55 H new ATOM 0 HB3 GLU A 46 23.605 43.160 -19.292 1.00 55.55 H new ATOM 0 HG2 GLU A 46 21.753 41.753 -19.937 1.00 14.53 H new ATOM 0 HG3 GLU A 46 20.582 42.947 -19.414 1.00 14.53 H new ATOM 674 N THR A 47 24.853 43.328 -17.202 1.00 53.34 N ATOM 675 CA THR A 47 26.066 43.760 -16.525 1.00 11.21 C ATOM 676 C THR A 47 26.994 44.497 -17.496 1.00 2.33 C ATOM 677 O THR A 47 27.893 43.900 -18.094 1.00 31.14 O ATOM 678 CB THR A 47 26.809 42.568 -15.884 1.00 14.13 C ATOM 679 OG1 THR A 47 25.900 41.827 -15.056 1.00 60.32 O ATOM 680 CG2 THR A 47 27.979 43.047 -15.040 1.00 31.14 C ATOM 0 H THR A 47 25.007 42.895 -18.112 1.00 53.34 H new ATOM 0 HA THR A 47 25.771 44.444 -15.729 1.00 11.21 H new ATOM 0 HB THR A 47 27.193 41.932 -16.682 1.00 14.13 H new ATOM 0 HG1 THR A 47 26.371 41.069 -14.650 1.00 60.32 H new ATOM 0 HG21 THR A 47 28.486 42.188 -14.600 1.00 31.14 H new ATOM 0 HG22 THR A 47 28.679 43.599 -15.668 1.00 31.14 H new ATOM 0 HG23 THR A 47 27.613 43.698 -14.246 1.00 31.14 H new ATOM 688 N PRO A 48 26.747 45.800 -17.701 1.00 63.35 N ATOM 689 CA PRO A 48 27.560 46.644 -18.556 1.00 21.13 C ATOM 690 C PRO A 48 28.642 47.383 -17.773 1.00 23.22 C ATOM 691 O PRO A 48 28.351 48.303 -17.005 1.00 30.10 O ATOM 692 CB PRO A 48 26.536 47.634 -19.130 1.00 72.10 C ATOM 693 CG PRO A 48 25.330 47.566 -18.227 1.00 2.42 C ATOM 694 CD PRO A 48 25.630 46.565 -17.140 1.00 3.12 C ATOM 0 HA PRO A 48 28.099 46.075 -19.314 1.00 21.13 H new ATOM 0 HB2 PRO A 48 26.945 48.644 -19.157 1.00 72.10 H new ATOM 0 HB3 PRO A 48 26.271 47.369 -20.154 1.00 72.10 H new ATOM 0 HG2 PRO A 48 25.117 48.545 -17.798 1.00 2.42 H new ATOM 0 HG3 PRO A 48 24.446 47.266 -18.790 1.00 2.42 H new ATOM 0 HD2 PRO A 48 25.904 47.054 -16.205 1.00 3.12 H new ATOM 0 HD3 PRO A 48 24.771 45.929 -16.928 1.00 3.12 H new ATOM 702 N SER A 49 29.886 46.974 -17.960 1.00 1.52 N ATOM 703 CA SER A 49 30.996 47.593 -17.257 1.00 71.45 C ATOM 704 C SER A 49 31.869 48.404 -18.215 1.00 5.40 C ATOM 705 O SER A 49 31.748 49.629 -18.287 1.00 55.33 O ATOM 706 CB SER A 49 31.819 46.524 -16.538 1.00 4.01 C ATOM 707 OG SER A 49 31.001 45.782 -15.645 1.00 52.25 O ATOM 0 H SER A 49 30.152 46.218 -18.591 1.00 1.52 H new ATOM 0 HA SER A 49 30.596 48.283 -16.514 1.00 71.45 H new ATOM 0 HB2 SER A 49 32.272 45.853 -17.268 1.00 4.01 H new ATOM 0 HB3 SER A 49 32.635 46.994 -15.988 1.00 4.01 H new ATOM 0 HG SER A 49 31.543 45.101 -15.194 1.00 52.25 H new ATOM 713 N ALA A 50 32.725 47.724 -18.971 1.00 4.34 N ATOM 714 CA ALA A 50 33.635 48.408 -19.882 1.00 71.23 C ATOM 715 C ALA A 50 32.907 48.907 -21.125 1.00 52.43 C ATOM 716 O ALA A 50 33.153 50.021 -21.596 1.00 63.35 O ATOM 717 CB ALA A 50 34.785 47.496 -20.268 1.00 52.42 C ATOM 0 H ALA A 50 32.807 46.707 -18.971 1.00 4.34 H new ATOM 0 HA ALA A 50 34.037 49.277 -19.361 1.00 71.23 H new ATOM 0 HB1 ALA A 50 35.454 48.023 -20.948 1.00 52.42 H new ATOM 0 HB2 ALA A 50 35.334 47.204 -19.373 1.00 52.42 H new ATOM 0 HB3 ALA A 50 34.394 46.606 -20.761 1.00 52.42 H new ATOM 723 N LEU A 51 31.996 48.092 -21.651 1.00 14.24 N ATOM 724 CA LEU A 51 31.235 48.477 -22.836 1.00 65.24 C ATOM 725 C LEU A 51 30.282 49.619 -22.506 1.00 54.11 C ATOM 726 O LEU A 51 29.871 50.371 -23.388 1.00 73.42 O ATOM 727 CB LEU A 51 30.481 47.272 -23.425 1.00 34.13 C ATOM 728 CG LEU A 51 29.461 46.582 -22.507 1.00 14.14 C ATOM 729 CD1 LEU A 51 28.124 47.313 -22.510 1.00 42.24 C ATOM 730 CD2 LEU A 51 29.272 45.135 -22.928 1.00 32.32 C ATOM 0 H LEU A 51 31.768 47.170 -21.280 1.00 14.24 H new ATOM 0 HA LEU A 51 31.934 48.827 -23.595 1.00 65.24 H new ATOM 0 HB2 LEU A 51 29.961 47.602 -24.324 1.00 34.13 H new ATOM 0 HB3 LEU A 51 31.216 46.530 -23.736 1.00 34.13 H new ATOM 0 HG LEU A 51 29.853 46.610 -21.490 1.00 14.14 H new ATOM 0 HD11 LEU A 51 27.426 46.798 -21.850 1.00 42.24 H new ATOM 0 HD12 LEU A 51 28.267 48.335 -22.160 1.00 42.24 H new ATOM 0 HD13 LEU A 51 27.721 47.330 -23.523 1.00 42.24 H new ATOM 0 HD21 LEU A 51 28.547 44.656 -22.270 1.00 32.32 H new ATOM 0 HD22 LEU A 51 28.909 45.099 -23.955 1.00 32.32 H new ATOM 0 HD23 LEU A 51 30.225 44.609 -22.862 1.00 32.32 H new ATOM 742 N ASP A 52 29.949 49.748 -21.225 1.00 2.23 N ATOM 743 CA ASP A 52 29.081 50.819 -20.746 1.00 12.25 C ATOM 744 C ASP A 52 29.714 52.176 -21.015 1.00 34.31 C ATOM 745 O ASP A 52 29.047 53.112 -21.446 1.00 33.15 O ATOM 746 CB ASP A 52 28.821 50.647 -19.247 1.00 5.20 C ATOM 747 CG ASP A 52 28.074 51.815 -18.627 1.00 62.52 C ATOM 748 OD1 ASP A 52 26.829 51.770 -18.573 1.00 12.41 O ATOM 749 OD2 ASP A 52 28.736 52.774 -18.168 1.00 63.02 O1- ATOM 0 H ASP A 52 30.272 49.116 -20.492 1.00 2.23 H new ATOM 0 HA ASP A 52 28.133 50.767 -21.281 1.00 12.25 H new ATOM 0 HB2 ASP A 52 28.249 49.733 -19.087 1.00 5.20 H new ATOM 0 HB3 ASP A 52 29.774 50.520 -18.733 1.00 5.20 H new ATOM 754 N ASN A 53 31.014 52.263 -20.777 1.00 61.25 N ATOM 755 CA ASN A 53 31.747 53.499 -21.008 1.00 42.12 C ATOM 756 C ASN A 53 31.814 53.792 -22.504 1.00 63.01 C ATOM 757 O ASN A 53 31.618 54.926 -22.942 1.00 23.25 O ATOM 758 CB ASN A 53 33.165 53.382 -20.438 1.00 44.53 C ATOM 759 CG ASN A 53 33.866 54.722 -20.300 1.00 73.01 C ATOM 760 OD1 ASN A 53 33.532 55.692 -20.980 1.00 72.42 O ATOM 761 ND2 ASN A 53 34.872 54.778 -19.440 1.00 31.23 N ATOM 0 H ASN A 53 31.583 51.493 -20.424 1.00 61.25 H new ATOM 0 HA ASN A 53 31.228 54.316 -20.507 1.00 42.12 H new ATOM 0 HB2 ASN A 53 33.118 52.901 -19.461 1.00 44.53 H new ATOM 0 HB3 ASN A 53 33.757 52.734 -21.084 1.00 44.53 H new ATOM 0 HD21 ASN A 53 35.397 55.645 -19.325 1.00 31.23 H new ATOM 0 HD22 ASN A 53 35.121 53.954 -18.893 1.00 31.23 H new ATOM 768 N PHE A 54 32.069 52.747 -23.283 1.00 22.14 N ATOM 769 CA PHE A 54 32.260 52.884 -24.722 1.00 43.23 C ATOM 770 C PHE A 54 30.962 53.279 -25.426 1.00 0.30 C ATOM 771 O PHE A 54 30.937 54.238 -26.199 1.00 51.31 O ATOM 772 CB PHE A 54 32.803 51.573 -25.305 1.00 64.13 C ATOM 773 CG PHE A 54 33.091 51.637 -26.779 1.00 32.43 C ATOM 774 CD1 PHE A 54 34.145 52.401 -27.262 1.00 20.25 C ATOM 775 CD2 PHE A 54 32.315 50.927 -27.681 1.00 52.44 C ATOM 776 CE1 PHE A 54 34.413 52.457 -28.615 1.00 74.25 C ATOM 777 CE2 PHE A 54 32.580 50.980 -29.036 1.00 41.13 C ATOM 778 CZ PHE A 54 33.632 51.746 -29.504 1.00 1.54 C ATOM 0 H PHE A 54 32.149 51.790 -22.939 1.00 22.14 H new ATOM 0 HA PHE A 54 32.984 53.681 -24.891 1.00 43.23 H new ATOM 0 HB2 PHE A 54 33.718 51.303 -24.777 1.00 64.13 H new ATOM 0 HB3 PHE A 54 32.081 50.777 -25.120 1.00 64.13 H new ATOM 0 HD1 PHE A 54 34.762 52.957 -26.572 1.00 20.25 H new ATOM 0 HD2 PHE A 54 31.494 50.325 -27.321 1.00 52.44 H new ATOM 0 HE1 PHE A 54 35.234 53.057 -28.978 1.00 74.25 H new ATOM 0 HE2 PHE A 54 31.966 50.424 -29.729 1.00 41.13 H new ATOM 0 HZ PHE A 54 33.842 51.788 -30.563 1.00 1.54 H new ATOM 788 N THR A 55 29.880 52.556 -25.146 1.00 75.41 N ATOM 789 CA THR A 55 28.611 52.789 -25.829 1.00 62.12 C ATOM 790 C THR A 55 28.007 54.143 -25.448 1.00 21.25 C ATOM 791 O THR A 55 27.158 54.677 -26.161 1.00 1.24 O ATOM 792 CB THR A 55 27.589 51.662 -25.536 1.00 4.21 C ATOM 793 OG1 THR A 55 26.467 51.766 -26.423 1.00 21.43 O ATOM 794 CG2 THR A 55 27.101 51.717 -24.097 1.00 4.31 C ATOM 0 H THR A 55 29.857 51.807 -24.454 1.00 75.41 H new ATOM 0 HA THR A 55 28.829 52.792 -26.897 1.00 62.12 H new ATOM 0 HB THR A 55 28.095 50.709 -25.694 1.00 4.21 H new ATOM 0 HG1 THR A 55 26.364 52.696 -26.713 1.00 21.43 H new ATOM 0 HG21 THR A 55 26.385 50.913 -23.924 1.00 4.31 H new ATOM 0 HG22 THR A 55 27.948 51.600 -23.421 1.00 4.31 H new ATOM 0 HG23 THR A 55 26.619 52.677 -23.913 1.00 4.31 H new ATOM 802 N GLN A 56 28.477 54.711 -24.343 1.00 32.54 N ATOM 803 CA GLN A 56 27.952 55.978 -23.850 1.00 40.22 C ATOM 804 C GLN A 56 28.474 57.144 -24.681 1.00 42.31 C ATOM 805 O GLN A 56 27.866 58.214 -24.719 1.00 33.50 O ATOM 806 CB GLN A 56 28.308 56.163 -22.374 1.00 24.31 C ATOM 807 CG GLN A 56 27.090 56.251 -21.470 1.00 3.12 C ATOM 808 CD GLN A 56 26.110 55.110 -21.693 1.00 23.51 C ATOM 809 OE1 GLN A 56 25.187 55.218 -22.505 1.00 22.43 O ATOM 810 NE2 GLN A 56 26.304 54.007 -20.991 1.00 51.20 N ATOM 0 H GLN A 56 29.222 54.313 -23.771 1.00 32.54 H new ATOM 0 HA GLN A 56 26.866 55.959 -23.945 1.00 40.22 H new ATOM 0 HB2 GLN A 56 28.933 55.330 -22.051 1.00 24.31 H new ATOM 0 HB3 GLN A 56 28.902 57.070 -22.261 1.00 24.31 H new ATOM 0 HG2 GLN A 56 27.414 56.248 -20.429 1.00 3.12 H new ATOM 0 HG3 GLN A 56 26.582 57.200 -21.643 1.00 3.12 H new ATOM 0 HE21 GLN A 56 27.078 53.954 -20.329 1.00 51.20 H new ATOM 0 HE22 GLN A 56 25.680 53.209 -21.112 1.00 51.20 H new ATOM 819 N ALA A 57 29.593 56.928 -25.359 1.00 43.12 N ATOM 820 CA ALA A 57 30.131 57.925 -26.275 1.00 74.22 C ATOM 821 C ALA A 57 29.433 57.817 -27.627 1.00 13.44 C ATOM 822 O ALA A 57 29.441 58.749 -28.432 1.00 44.41 O ATOM 823 CB ALA A 57 31.632 57.745 -26.432 1.00 32.32 C ATOM 0 H ALA A 57 30.145 56.073 -25.292 1.00 43.12 H new ATOM 0 HA ALA A 57 29.948 58.918 -25.865 1.00 74.22 H new ATOM 0 HB1 ALA A 57 32.019 58.497 -27.119 1.00 32.32 H new ATOM 0 HB2 ALA A 57 32.115 57.857 -25.462 1.00 32.32 H new ATOM 0 HB3 ALA A 57 31.840 56.751 -26.828 1.00 32.32 H new ATOM 829 N ILE A 58 28.817 56.665 -27.853 1.00 52.41 N ATOM 830 CA ILE A 58 28.117 56.389 -29.098 1.00 43.42 C ATOM 831 C ILE A 58 26.743 57.051 -29.096 1.00 42.32 C ATOM 832 O ILE A 58 26.198 57.390 -30.142 1.00 2.22 O ATOM 833 CB ILE A 58 27.949 54.868 -29.311 1.00 4.31 C ATOM 834 CG1 ILE A 58 29.308 54.171 -29.200 1.00 33.32 C ATOM 835 CG2 ILE A 58 27.293 54.578 -30.656 1.00 22.11 C ATOM 836 CD1 ILE A 58 29.272 52.701 -29.555 1.00 75.03 C ATOM 0 H ILE A 58 28.789 55.898 -27.181 1.00 52.41 H new ATOM 0 HA ILE A 58 28.715 56.797 -29.912 1.00 43.42 H new ATOM 0 HB ILE A 58 27.294 54.476 -28.533 1.00 4.31 H new ATOM 0 HG12 ILE A 58 30.019 54.676 -29.854 1.00 33.32 H new ATOM 0 HG13 ILE A 58 29.679 54.280 -28.181 1.00 33.32 H new ATOM 0 HG21 ILE A 58 27.185 53.501 -30.784 1.00 22.11 H new ATOM 0 HG22 ILE A 58 26.310 55.048 -30.690 1.00 22.11 H new ATOM 0 HG23 ILE A 58 27.914 54.978 -31.458 1.00 22.11 H new ATOM 0 HD11 ILE A 58 30.271 52.277 -29.452 1.00 75.03 H new ATOM 0 HD12 ILE A 58 28.587 52.182 -28.885 1.00 75.03 H new ATOM 0 HD13 ILE A 58 28.932 52.583 -30.584 1.00 75.03 H new ATOM 848 N GLN A 59 26.210 57.263 -27.904 1.00 20.32 N ATOM 849 CA GLN A 59 24.869 57.811 -27.738 1.00 43.14 C ATOM 850 C GLN A 59 24.726 59.172 -28.420 1.00 30.01 C ATOM 851 O GLN A 59 23.637 59.543 -28.861 1.00 22.32 O ATOM 852 CB GLN A 59 24.549 57.944 -26.248 1.00 0.24 C ATOM 853 CG GLN A 59 24.770 56.661 -25.464 1.00 33.03 C ATOM 854 CD GLN A 59 23.752 55.579 -25.771 1.00 32.54 C ATOM 855 OE1 GLN A 59 23.197 55.510 -26.869 1.00 24.13 O ATOM 856 NE2 GLN A 59 23.508 54.718 -24.798 1.00 51.23 N ATOM 0 H GLN A 59 26.690 57.062 -27.027 1.00 20.32 H new ATOM 0 HA GLN A 59 24.165 57.125 -28.210 1.00 43.14 H new ATOM 0 HB2 GLN A 59 25.168 58.733 -25.821 1.00 0.24 H new ATOM 0 HB3 GLN A 59 23.511 58.256 -26.134 1.00 0.24 H new ATOM 0 HG2 GLN A 59 25.768 56.281 -25.680 1.00 33.03 H new ATOM 0 HG3 GLN A 59 24.738 56.886 -24.398 1.00 33.03 H new ATOM 0 HE21 GLN A 59 23.989 54.810 -23.903 1.00 51.23 H new ATOM 0 HE22 GLN A 59 22.839 53.962 -24.942 1.00 51.23 H new ATOM 865 N SER A 60 25.829 59.902 -28.516 1.00 51.04 N ATOM 866 CA SER A 60 25.816 61.241 -29.088 1.00 11.41 C ATOM 867 C SER A 60 25.793 61.197 -30.619 1.00 54.31 C ATOM 868 O SER A 60 25.147 62.023 -31.261 1.00 71.15 O ATOM 869 CB SER A 60 27.047 62.006 -28.607 1.00 73.34 C ATOM 870 OG SER A 60 27.318 61.718 -27.242 1.00 3.51 O ATOM 0 H SER A 60 26.748 59.587 -28.204 1.00 51.04 H new ATOM 0 HA SER A 60 24.909 61.748 -28.757 1.00 11.41 H new ATOM 0 HB2 SER A 60 27.909 61.738 -29.218 1.00 73.34 H new ATOM 0 HB3 SER A 60 26.887 63.077 -28.733 1.00 73.34 H new ATOM 0 HG SER A 60 28.111 62.216 -26.954 1.00 3.51 H new ATOM 876 N GLN A 61 26.476 60.213 -31.195 1.00 30.10 N ATOM 877 CA GLN A 61 26.637 60.137 -32.646 1.00 24.42 C ATOM 878 C GLN A 61 25.416 59.508 -33.316 1.00 14.32 C ATOM 879 O GLN A 61 25.316 59.473 -34.541 1.00 1.12 O ATOM 880 CB GLN A 61 27.898 59.341 -33.004 1.00 64.21 C ATOM 881 CG GLN A 61 27.882 57.913 -32.486 1.00 32.32 C ATOM 882 CD GLN A 61 29.094 57.116 -32.912 1.00 64.01 C ATOM 883 OE1 GLN A 61 29.083 56.465 -33.955 1.00 52.54 O ATOM 884 NE2 GLN A 61 30.146 57.153 -32.110 1.00 61.52 N ATOM 0 H GLN A 61 26.927 59.456 -30.681 1.00 30.10 H new ATOM 0 HA GLN A 61 26.738 61.157 -33.018 1.00 24.42 H new ATOM 0 HB2 GLN A 61 28.012 59.324 -34.088 1.00 64.21 H new ATOM 0 HB3 GLN A 61 28.770 59.856 -32.600 1.00 64.21 H new ATOM 0 HG2 GLN A 61 27.828 57.928 -31.397 1.00 32.32 H new ATOM 0 HG3 GLN A 61 26.982 57.413 -32.843 1.00 32.32 H new ATOM 0 HE21 GLN A 61 30.115 57.706 -31.253 1.00 61.52 H new ATOM 0 HE22 GLN A 61 30.988 56.629 -32.349 1.00 61.52 H new ATOM 893 N ILE A 62 24.484 59.020 -32.507 1.00 25.21 N ATOM 894 CA ILE A 62 23.289 58.374 -33.032 1.00 60.23 C ATOM 895 C ILE A 62 22.363 59.400 -33.679 1.00 4.22 C ATOM 896 O ILE A 62 21.678 59.103 -34.656 1.00 73.53 O ATOM 897 CB ILE A 62 22.529 57.610 -31.925 1.00 31.41 C ATOM 898 CG1 ILE A 62 23.430 56.530 -31.317 1.00 75.12 C ATOM 899 CG2 ILE A 62 21.254 56.985 -32.476 1.00 11.33 C ATOM 900 CD1 ILE A 62 22.781 55.748 -30.196 1.00 54.33 C ATOM 0 H ILE A 62 24.532 59.059 -31.489 1.00 25.21 H new ATOM 0 HA ILE A 62 23.610 57.656 -33.787 1.00 60.23 H new ATOM 0 HB ILE A 62 22.251 58.320 -31.146 1.00 31.41 H new ATOM 0 HG12 ILE A 62 23.731 55.837 -32.103 1.00 75.12 H new ATOM 0 HG13 ILE A 62 24.339 56.999 -30.940 1.00 75.12 H new ATOM 0 HG21 ILE A 62 20.736 56.452 -31.679 1.00 11.33 H new ATOM 0 HG22 ILE A 62 20.606 57.768 -32.870 1.00 11.33 H new ATOM 0 HG23 ILE A 62 21.506 56.287 -33.274 1.00 11.33 H new ATOM 0 HD11 ILE A 62 23.482 55.003 -29.819 1.00 54.33 H new ATOM 0 HD12 ILE A 62 22.505 56.428 -29.390 1.00 54.33 H new ATOM 0 HD13 ILE A 62 21.888 55.248 -30.571 1.00 54.33 H new ATOM 912 N LEU A 63 22.373 60.618 -33.146 1.00 64.35 N ATOM 913 CA LEU A 63 21.488 61.673 -33.629 1.00 53.53 C ATOM 914 C LEU A 63 21.723 61.967 -35.105 1.00 34.31 C ATOM 915 O LEU A 63 20.771 62.039 -35.881 1.00 74.53 O ATOM 916 CB LEU A 63 21.655 62.957 -32.811 1.00 24.15 C ATOM 917 CG LEU A 63 20.966 62.961 -31.444 1.00 14.34 C ATOM 918 CD1 LEU A 63 21.694 62.058 -30.460 1.00 52.54 C ATOM 919 CD2 LEU A 63 20.874 64.380 -30.905 1.00 61.01 C ATOM 0 H LEU A 63 22.984 60.899 -32.379 1.00 64.35 H new ATOM 0 HA LEU A 63 20.467 61.311 -33.507 1.00 53.53 H new ATOM 0 HB2 LEU A 63 22.720 63.137 -32.662 1.00 24.15 H new ATOM 0 HB3 LEU A 63 21.269 63.792 -33.395 1.00 24.15 H new ATOM 0 HG LEU A 63 19.957 62.569 -31.570 1.00 14.34 H new ATOM 0 HD11 LEU A 63 21.182 62.081 -29.498 1.00 52.54 H new ATOM 0 HD12 LEU A 63 21.704 61.037 -30.842 1.00 52.54 H new ATOM 0 HD13 LEU A 63 22.719 62.408 -30.334 1.00 52.54 H new ATOM 0 HD21 LEU A 63 20.382 64.369 -29.932 1.00 61.01 H new ATOM 0 HD22 LEU A 63 21.876 64.795 -30.800 1.00 61.01 H new ATOM 0 HD23 LEU A 63 20.298 64.995 -31.596 1.00 61.01 H new ATOM 931 N GLY A 64 22.988 62.110 -35.490 1.00 54.14 N ATOM 932 CA GLY A 64 23.324 62.421 -36.869 1.00 43.53 C ATOM 933 C GLY A 64 22.785 61.398 -37.854 1.00 42.50 C ATOM 934 O GLY A 64 22.529 61.717 -39.014 1.00 45.41 O ATOM 0 H GLY A 64 23.791 62.015 -34.868 1.00 54.14 H new ATOM 0 HA2 GLY A 64 22.928 63.405 -37.121 1.00 43.53 H new ATOM 0 HA3 GLY A 64 24.408 62.479 -36.969 1.00 43.53 H new ATOM 938 N GLY A 65 22.612 60.167 -37.390 1.00 25.24 N ATOM 939 CA GLY A 65 22.082 59.127 -38.244 1.00 5.50 C ATOM 940 C GLY A 65 20.575 59.004 -38.133 1.00 33.53 C ATOM 941 O GLY A 65 19.882 58.870 -39.147 1.00 11.34 O ATOM 0 H GLY A 65 22.830 59.872 -36.438 1.00 25.24 H new ATOM 0 HA2 GLY A 65 22.352 59.337 -39.279 1.00 5.50 H new ATOM 0 HA3 GLY A 65 22.542 58.175 -37.981 1.00 5.50 H new ATOM 945 N LEU A 66 20.064 59.073 -36.904 1.00 53.33 N ATOM 946 CA LEU A 66 18.640 58.884 -36.653 1.00 72.23 C ATOM 947 C LEU A 66 17.809 59.982 -37.307 1.00 34.12 C ATOM 948 O LEU A 66 16.632 59.777 -37.594 1.00 33.03 O ATOM 949 CB LEU A 66 18.358 58.782 -35.138 1.00 31.31 C ATOM 950 CG LEU A 66 18.230 60.101 -34.355 1.00 64.21 C ATOM 951 CD1 LEU A 66 16.818 60.671 -34.439 1.00 22.03 C ATOM 952 CD2 LEU A 66 18.622 59.888 -32.900 1.00 65.03 C ATOM 0 H LEU A 66 20.617 59.259 -36.068 1.00 53.33 H new ATOM 0 HA LEU A 66 18.341 57.941 -37.110 1.00 72.23 H new ATOM 0 HB2 LEU A 66 17.435 58.219 -35.004 1.00 31.31 H new ATOM 0 HB3 LEU A 66 19.158 58.196 -34.684 1.00 31.31 H new ATOM 0 HG LEU A 66 18.908 60.823 -34.810 1.00 64.21 H new ATOM 0 HD11 LEU A 66 16.767 61.602 -33.874 1.00 22.03 H new ATOM 0 HD12 LEU A 66 16.565 60.865 -35.481 1.00 22.03 H new ATOM 0 HD13 LEU A 66 16.111 59.954 -34.022 1.00 22.03 H new ATOM 0 HD21 LEU A 66 18.527 60.828 -32.356 1.00 65.03 H new ATOM 0 HD22 LEU A 66 17.966 59.142 -32.452 1.00 65.03 H new ATOM 0 HD23 LEU A 66 19.654 59.541 -32.848 1.00 65.03 H new ATOM 964 N LEU A 67 18.425 61.140 -37.552 1.00 53.21 N ATOM 965 CA LEU A 67 17.744 62.244 -38.228 1.00 64.45 C ATOM 966 C LEU A 67 17.116 61.768 -39.533 1.00 60.43 C ATOM 967 O LEU A 67 15.949 62.045 -39.815 1.00 44.24 O ATOM 968 CB LEU A 67 18.715 63.394 -38.520 1.00 51.43 C ATOM 969 CG LEU A 67 19.283 64.109 -37.294 1.00 3.00 C ATOM 970 CD1 LEU A 67 20.218 65.229 -37.718 1.00 70.32 C ATOM 971 CD2 LEU A 67 18.162 64.650 -36.426 1.00 22.21 C ATOM 0 H LEU A 67 19.392 61.337 -37.293 1.00 53.21 H new ATOM 0 HA LEU A 67 16.961 62.605 -37.562 1.00 64.45 H new ATOM 0 HB2 LEU A 67 19.546 63.003 -39.107 1.00 51.43 H new ATOM 0 HB3 LEU A 67 18.203 64.129 -39.141 1.00 51.43 H new ATOM 0 HG LEU A 67 19.853 63.388 -36.708 1.00 3.00 H new ATOM 0 HD11 LEU A 67 20.613 65.728 -36.833 1.00 70.32 H new ATOM 0 HD12 LEU A 67 21.042 64.815 -38.300 1.00 70.32 H new ATOM 0 HD13 LEU A 67 19.671 65.949 -38.326 1.00 70.32 H new ATOM 0 HD21 LEU A 67 18.585 65.156 -35.558 1.00 22.21 H new ATOM 0 HD22 LEU A 67 17.565 65.357 -37.002 1.00 22.21 H new ATOM 0 HD23 LEU A 67 17.530 63.827 -36.094 1.00 22.21 H new ATOM 983 N SER A 68 17.883 61.018 -40.309 1.00 40.32 N ATOM 984 CA SER A 68 17.414 60.541 -41.596 1.00 11.31 C ATOM 985 C SER A 68 16.736 59.176 -41.447 1.00 75.02 C ATOM 986 O SER A 68 16.172 58.640 -42.399 1.00 75.11 O ATOM 987 CB SER A 68 18.578 60.480 -42.584 1.00 0.14 C ATOM 988 OG SER A 68 18.118 60.325 -43.914 1.00 4.11 O ATOM 0 H SER A 68 18.831 60.728 -40.069 1.00 40.32 H new ATOM 0 HA SER A 68 16.672 61.237 -41.987 1.00 11.31 H new ATOM 0 HB2 SER A 68 19.171 61.391 -42.506 1.00 0.14 H new ATOM 0 HB3 SER A 68 19.234 59.649 -42.325 1.00 0.14 H new ATOM 0 HG SER A 68 18.288 59.408 -44.214 1.00 4.11 H new ATOM 994 N ASN A 69 16.776 58.624 -40.241 1.00 22.22 N ATOM 995 CA ASN A 69 16.058 57.387 -39.951 1.00 3.21 C ATOM 996 C ASN A 69 14.625 57.700 -39.553 1.00 33.23 C ATOM 997 O ASN A 69 13.745 56.848 -39.633 1.00 41.32 O ATOM 998 CB ASN A 69 16.757 56.570 -38.859 1.00 53.44 C ATOM 999 CG ASN A 69 18.022 55.895 -39.355 1.00 25.14 C ATOM 1000 OD1 ASN A 69 18.061 55.567 -40.641 1.00 41.35 O flip ATOM 1001 ND2 ASN A 69 18.953 55.652 -38.593 1.00 2.13 N flip ATOM 0 H ASN A 69 17.294 59.009 -39.452 1.00 22.22 H new ATOM 0 HA ASN A 69 16.052 56.780 -40.856 1.00 3.21 H new ATOM 0 HB2 ASN A 69 17.003 57.224 -38.022 1.00 53.44 H new ATOM 0 HB3 ASN A 69 16.070 55.813 -38.481 1.00 53.44 H new ATOM 0 HD21 ASN A 69 18.890 55.918 -37.610 1.00 2.13 H new ATOM 0 HD22 ASN A 69 19.789 55.184 -38.943 1.00 2.13 H new ATOM 1008 N ILE A 70 14.399 58.929 -39.113 1.00 71.41 N ATOM 1009 CA ILE A 70 13.045 59.426 -38.934 1.00 54.25 C ATOM 1010 C ILE A 70 12.433 59.678 -40.310 1.00 15.54 C ATOM 1011 O ILE A 70 11.230 59.522 -40.521 1.00 23.53 O ATOM 1012 CB ILE A 70 13.021 60.729 -38.099 1.00 3.10 C ATOM 1013 CG1 ILE A 70 13.674 60.506 -36.729 1.00 23.53 C ATOM 1014 CG2 ILE A 70 11.597 61.245 -37.930 1.00 12.32 C ATOM 1015 CD1 ILE A 70 12.997 59.439 -35.895 1.00 42.43 C ATOM 0 H ILE A 70 15.132 59.597 -38.875 1.00 71.41 H new ATOM 0 HA ILE A 70 12.467 58.680 -38.390 1.00 54.25 H new ATOM 0 HB ILE A 70 13.594 61.483 -38.639 1.00 3.10 H new ATOM 0 HG12 ILE A 70 14.719 60.231 -36.875 1.00 23.53 H new ATOM 0 HG13 ILE A 70 13.666 61.445 -36.176 1.00 23.53 H new ATOM 0 HG21 ILE A 70 11.610 62.161 -37.340 1.00 12.32 H new ATOM 0 HG22 ILE A 70 11.166 61.451 -38.910 1.00 12.32 H new ATOM 0 HG23 ILE A 70 10.996 60.493 -37.420 1.00 12.32 H new ATOM 0 HD11 ILE A 70 13.515 59.339 -34.941 1.00 42.43 H new ATOM 0 HD12 ILE A 70 11.959 59.721 -35.716 1.00 42.43 H new ATOM 0 HD13 ILE A 70 13.028 58.488 -36.426 1.00 42.43 H new ATOM 1027 N ASN A 71 13.296 60.052 -41.251 1.00 10.14 N ATOM 1028 CA ASN A 71 12.903 60.234 -42.642 1.00 44.34 C ATOM 1029 C ASN A 71 12.561 58.882 -43.263 1.00 55.34 C ATOM 1030 O ASN A 71 11.461 58.679 -43.777 1.00 20.43 O ATOM 1031 CB ASN A 71 14.042 60.900 -43.424 1.00 33.10 C ATOM 1032 CG ASN A 71 13.663 61.244 -44.851 1.00 24.15 C ATOM 1033 OD1 ASN A 71 13.765 60.415 -45.755 1.00 2.11 O ATOM 1034 ND2 ASN A 71 13.240 62.477 -45.067 1.00 61.43 N ATOM 0 H ASN A 71 14.283 60.236 -41.070 1.00 10.14 H new ATOM 0 HA ASN A 71 12.024 60.877 -42.685 1.00 44.34 H new ATOM 0 HB2 ASN A 71 14.347 61.809 -42.906 1.00 33.10 H new ATOM 0 HB3 ASN A 71 14.905 60.235 -43.434 1.00 33.10 H new ATOM 0 HD21 ASN A 71 12.984 62.771 -46.010 1.00 61.43 H new ATOM 0 HD22 ASN A 71 13.169 63.135 -44.291 1.00 61.43 H new ATOM 1041 N THR A 72 13.512 57.959 -43.201 1.00 12.11 N ATOM 1042 CA THR A 72 13.314 56.618 -43.728 1.00 23.30 C ATOM 1043 C THR A 72 12.927 55.644 -42.626 1.00 44.31 C ATOM 1044 O THR A 72 13.776 55.183 -41.856 1.00 44.23 O ATOM 1045 CB THR A 72 14.580 56.117 -44.450 1.00 2.13 C ATOM 1046 OG1 THR A 72 14.960 57.055 -45.461 1.00 14.23 O ATOM 1047 CG2 THR A 72 14.348 54.749 -45.082 1.00 53.31 C ATOM 0 H THR A 72 14.432 58.117 -42.789 1.00 12.11 H new ATOM 0 HA THR A 72 12.496 56.669 -44.447 1.00 23.30 H new ATOM 0 HB THR A 72 15.378 56.023 -43.714 1.00 2.13 H new ATOM 0 HG1 THR A 72 15.260 56.572 -46.259 1.00 14.23 H new ATOM 0 HG21 THR A 72 15.258 54.421 -45.584 1.00 53.31 H new ATOM 0 HG22 THR A 72 14.082 54.030 -44.307 1.00 53.31 H new ATOM 0 HG23 THR A 72 13.537 54.816 -45.808 1.00 53.31 H new ATOM 1055 N GLY A 73 11.637 55.343 -42.557 1.00 3.13 N ATOM 1056 CA GLY A 73 11.139 54.389 -41.593 1.00 42.41 C ATOM 1057 C GLY A 73 11.438 52.971 -42.018 1.00 24.53 C ATOM 1058 O GLY A 73 10.599 52.305 -42.627 1.00 71.02 O ATOM 0 H GLY A 73 10.922 55.749 -43.160 1.00 3.13 H new ATOM 0 HA2 GLY A 73 11.591 54.582 -40.620 1.00 42.41 H new ATOM 0 HA3 GLY A 73 10.063 54.516 -41.475 1.00 42.41 H new ATOM 1062 N LYS A 74 12.653 52.531 -41.722 1.00 31.51 N ATOM 1063 CA LYS A 74 13.105 51.190 -42.061 1.00 51.44 C ATOM 1064 C LYS A 74 12.152 50.134 -41.496 1.00 44.43 C ATOM 1065 O LYS A 74 11.639 50.280 -40.387 1.00 24.01 O ATOM 1066 CB LYS A 74 14.517 50.989 -41.499 1.00 23.21 C ATOM 1067 CG LYS A 74 14.616 51.379 -40.035 1.00 4.23 C ATOM 1068 CD LYS A 74 16.030 51.259 -39.486 1.00 20.20 C ATOM 1069 CE LYS A 74 16.900 52.428 -39.912 1.00 35.24 C ATOM 1070 NZ LYS A 74 18.144 52.518 -39.096 1.00 22.45 N1+ ATOM 0 H LYS A 74 13.353 53.095 -41.240 1.00 31.51 H new ATOM 0 HA LYS A 74 13.119 51.078 -43.145 1.00 51.44 H new ATOM 0 HB2 LYS A 74 14.806 49.944 -41.615 1.00 23.21 H new ATOM 0 HB3 LYS A 74 15.224 51.582 -42.079 1.00 23.21 H new ATOM 0 HG2 LYS A 74 14.270 52.405 -39.913 1.00 4.23 H new ATOM 0 HG3 LYS A 74 13.949 50.746 -39.449 1.00 4.23 H new ATOM 0 HD2 LYS A 74 15.995 51.210 -38.398 1.00 20.20 H new ATOM 0 HD3 LYS A 74 16.477 50.327 -39.833 1.00 20.20 H new ATOM 0 HE2 LYS A 74 17.163 52.321 -40.964 1.00 35.24 H new ATOM 0 HE3 LYS A 74 16.335 53.355 -39.817 1.00 35.24 H new ATOM 0 HZ1 LYS A 74 18.147 53.413 -38.566 1.00 22.45 H new ATOM 0 HZ2 LYS A 74 18.180 51.720 -38.430 1.00 22.45 H new ATOM 0 HZ3 LYS A 74 18.973 52.484 -39.723 1.00 22.45 H new ATOM 1084 N PRO A 75 11.913 49.054 -42.250 1.00 62.34 N ATOM 1085 CA PRO A 75 10.995 47.986 -41.839 1.00 2.31 C ATOM 1086 C PRO A 75 11.508 47.227 -40.623 1.00 25.45 C ATOM 1087 O PRO A 75 10.774 46.992 -39.660 1.00 34.43 O ATOM 1088 CB PRO A 75 10.941 47.057 -43.060 1.00 60.25 C ATOM 1089 CG PRO A 75 11.508 47.853 -44.188 1.00 23.21 C ATOM 1090 CD PRO A 75 12.496 48.795 -43.573 1.00 65.03 C ATOM 0 HA PRO A 75 10.021 48.380 -41.548 1.00 2.31 H new ATOM 0 HB2 PRO A 75 11.520 46.150 -42.889 1.00 60.25 H new ATOM 0 HB3 PRO A 75 9.918 46.747 -43.273 1.00 60.25 H new ATOM 0 HG2 PRO A 75 11.990 47.204 -44.919 1.00 23.21 H new ATOM 0 HG3 PRO A 75 10.724 48.398 -44.714 1.00 23.21 H new ATOM 0 HD2 PRO A 75 13.488 48.350 -43.498 1.00 65.03 H new ATOM 0 HD3 PRO A 75 12.600 49.710 -44.156 1.00 65.03 H new ATOM 1098 N GLY A 76 12.774 46.846 -40.677 1.00 12.10 N ATOM 1099 CA GLY A 76 13.379 46.132 -39.581 1.00 14.01 C ATOM 1100 C GLY A 76 14.796 45.711 -39.901 1.00 13.34 C ATOM 1101 O GLY A 76 15.027 44.937 -40.829 1.00 72.12 O ATOM 0 H GLY A 76 13.395 47.021 -41.467 1.00 12.10 H new ATOM 0 HA2 GLY A 76 13.379 46.762 -38.692 1.00 14.01 H new ATOM 0 HA3 GLY A 76 12.782 45.251 -39.347 1.00 14.01 H new ATOM 1105 N ARG A 77 15.747 46.244 -39.155 1.00 2.44 N ATOM 1106 CA ARG A 77 17.144 45.878 -39.330 1.00 13.33 C ATOM 1107 C ARG A 77 17.499 44.700 -38.434 1.00 22.11 C ATOM 1108 O ARG A 77 17.007 44.595 -37.311 1.00 0.25 O ATOM 1109 CB ARG A 77 18.067 47.079 -39.068 1.00 21.41 C ATOM 1110 CG ARG A 77 17.605 48.023 -37.963 1.00 30.43 C ATOM 1111 CD ARG A 77 17.691 47.395 -36.582 1.00 20.32 C ATOM 1112 NE ARG A 77 17.306 48.334 -35.536 1.00 45.02 N ATOM 1113 CZ ARG A 77 16.545 48.020 -34.490 1.00 1.11 C ATOM 1114 NH1 ARG A 77 16.044 46.795 -34.368 1.00 21.40 N1+ ATOM 1115 NH2 ARG A 77 16.277 48.935 -33.571 1.00 14.15 N ATOM 0 H ARG A 77 15.579 46.932 -38.421 1.00 2.44 H new ATOM 0 HA ARG A 77 17.293 45.573 -40.366 1.00 13.33 H new ATOM 0 HB2 ARG A 77 19.059 46.706 -38.814 1.00 21.41 H new ATOM 0 HB3 ARG A 77 18.167 47.648 -39.992 1.00 21.41 H new ATOM 0 HG2 ARG A 77 18.213 48.927 -37.985 1.00 30.43 H new ATOM 0 HG3 ARG A 77 16.576 48.326 -38.156 1.00 30.43 H new ATOM 0 HD2 ARG A 77 17.044 46.519 -36.540 1.00 20.32 H new ATOM 0 HD3 ARG A 77 18.709 47.049 -36.403 1.00 20.32 H new ATOM 0 HE ARG A 77 17.642 49.294 -35.610 1.00 45.02 H new ATOM 0 HH11 ARG A 77 16.242 46.090 -35.078 1.00 21.40 H new ATOM 0 HH12 ARG A 77 15.461 46.560 -33.564 1.00 21.40 H new ATOM 0 HH21 ARG A 77 16.653 49.878 -33.665 1.00 14.15 H new ATOM 0 HH22 ARG A 77 15.694 48.697 -32.769 1.00 14.15 H new ATOM 1129 N MET A 78 18.341 43.812 -38.928 1.00 12.00 N ATOM 1130 CA MET A 78 18.657 42.593 -38.200 1.00 2.03 C ATOM 1131 C MET A 78 19.788 42.826 -37.209 1.00 70.13 C ATOM 1132 O MET A 78 20.924 43.116 -37.593 1.00 44.34 O ATOM 1133 CB MET A 78 19.025 41.464 -39.166 1.00 63.14 C ATOM 1134 CG MET A 78 19.275 40.136 -38.469 1.00 52.15 C ATOM 1135 SD MET A 78 19.656 38.803 -39.619 1.00 73.31 S ATOM 1136 CE MET A 78 21.137 39.441 -40.401 1.00 35.54 C ATOM 0 H MET A 78 18.817 43.909 -39.825 1.00 12.00 H new ATOM 0 HA MET A 78 17.768 42.299 -37.643 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.222 41.340 -39.892 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.918 41.748 -39.723 1.00 63.14 H new ATOM 0 HG2 MET A 78 20.100 40.250 -37.766 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.395 39.866 -37.886 1.00 52.15 H new ATOM 0 HE1 MET A 78 21.670 38.626 -40.891 1.00 35.54 H new ATOM 0 HE2 MET A 78 20.863 40.192 -41.142 1.00 35.54 H new ATOM 0 HE3 MET A 78 21.781 39.894 -39.647 1.00 35.54 H new ATOM 1146 N VAL A 79 19.463 42.708 -35.933 1.00 63.22 N ATOM 1147 CA VAL A 79 20.447 42.851 -34.876 1.00 53.31 C ATOM 1148 C VAL A 79 20.936 41.474 -34.443 1.00 34.33 C ATOM 1149 O VAL A 79 20.261 40.771 -33.688 1.00 23.05 O ATOM 1150 CB VAL A 79 19.866 43.603 -33.658 1.00 51.15 C ATOM 1151 CG1 VAL A 79 20.941 43.838 -32.599 1.00 62.34 C ATOM 1152 CG2 VAL A 79 19.243 44.925 -34.094 1.00 20.14 C ATOM 0 H VAL A 79 18.518 42.512 -35.603 1.00 63.22 H new ATOM 0 HA VAL A 79 21.280 43.436 -35.267 1.00 53.31 H new ATOM 0 HB VAL A 79 19.086 42.983 -33.216 1.00 51.15 H new ATOM 0 HG11 VAL A 79 20.507 44.369 -31.752 1.00 62.34 H new ATOM 0 HG12 VAL A 79 21.336 42.879 -32.263 1.00 62.34 H new ATOM 0 HG13 VAL A 79 21.748 44.434 -33.026 1.00 62.34 H new ATOM 0 HG21 VAL A 79 18.839 45.441 -33.223 1.00 20.14 H new ATOM 0 HG22 VAL A 79 20.004 45.548 -34.565 1.00 20.14 H new ATOM 0 HG23 VAL A 79 18.441 44.732 -34.806 1.00 20.14 H new ATOM 1162 N THR A 80 22.088 41.078 -34.958 1.00 24.24 N ATOM 1163 CA THR A 80 22.651 39.773 -34.656 1.00 43.31 C ATOM 1164 C THR A 80 24.070 39.898 -34.112 1.00 22.22 C ATOM 1165 O THR A 80 24.852 40.728 -34.579 1.00 20.53 O ATOM 1166 CB THR A 80 22.640 38.867 -35.904 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.754 39.662 -37.094 1.00 23.43 O ATOM 1168 CG2 THR A 80 21.366 38.041 -35.966 1.00 23.11 C ATOM 0 H THR A 80 22.654 41.645 -35.590 1.00 24.24 H new ATOM 0 HA THR A 80 22.027 39.316 -33.888 1.00 43.31 H new ATOM 0 HB THR A 80 23.492 38.190 -35.836 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.603 40.151 -37.081 1.00 23.43 H new ATOM 0 HG21 THR A 80 21.384 37.411 -36.855 1.00 23.11 H new ATOM 0 HG22 THR A 80 21.296 37.413 -35.078 1.00 23.11 H new ATOM 0 HG23 THR A 80 20.503 38.706 -36.009 1.00 23.11 H new ATOM 1176 N ASN A 81 24.395 39.069 -33.124 1.00 12.13 N ATOM 1177 CA ASN A 81 25.700 39.110 -32.461 1.00 13.33 C ATOM 1178 C ASN A 81 26.791 38.489 -33.324 1.00 53.52 C ATOM 1179 O ASN A 81 27.448 37.524 -32.927 1.00 72.31 O ATOM 1180 CB ASN A 81 25.638 38.396 -31.111 1.00 31.34 C ATOM 1181 CG ASN A 81 24.860 39.177 -30.074 1.00 23.22 C ATOM 1182 OD1 ASN A 81 24.877 40.407 -30.060 1.00 55.05 O ATOM 1183 ND2 ASN A 81 24.160 38.468 -29.203 1.00 51.02 N ATOM 0 H ASN A 81 23.767 38.353 -32.760 1.00 12.13 H new ATOM 0 HA ASN A 81 25.950 40.159 -32.303 1.00 13.33 H new ATOM 0 HB2 ASN A 81 25.178 37.417 -31.243 1.00 31.34 H new ATOM 0 HB3 ASN A 81 26.651 38.226 -30.747 1.00 31.34 H new ATOM 0 HD21 ASN A 81 23.608 38.940 -28.487 1.00 51.02 H new ATOM 0 HD22 ASN A 81 24.172 37.449 -29.248 1.00 51.02 H new ATOM 1190 N ASP A 82 26.982 39.064 -34.494 1.00 32.11 N ATOM 1191 CA ASP A 82 28.009 38.637 -35.431 1.00 24.13 C ATOM 1192 C ASP A 82 28.103 39.645 -36.560 1.00 61.51 C ATOM 1193 O ASP A 82 29.195 40.007 -37.002 1.00 75.51 O ATOM 1194 CB ASP A 82 27.733 37.231 -35.988 1.00 23.52 C ATOM 1195 CG ASP A 82 26.304 37.030 -36.451 1.00 72.21 C ATOM 1196 OD1 ASP A 82 25.545 36.337 -35.744 1.00 63.25 O ATOM 1197 OD2 ASP A 82 25.936 37.549 -37.522 1.00 30.43 O1- ATOM 0 H ASP A 82 26.424 39.850 -34.828 1.00 32.11 H new ATOM 0 HA ASP A 82 28.958 38.587 -34.898 1.00 24.13 H new ATOM 0 HB2 ASP A 82 28.407 37.042 -36.824 1.00 23.52 H new ATOM 0 HB3 ASP A 82 27.964 36.493 -35.219 1.00 23.52 H new ATOM 1202 N TYR A 83 26.948 40.102 -37.012 1.00 2.10 N ATOM 1203 CA TYR A 83 26.873 41.155 -38.001 1.00 61.22 C ATOM 1204 C TYR A 83 25.676 42.042 -37.730 1.00 25.13 C ATOM 1205 O TYR A 83 24.546 41.563 -37.635 1.00 35.42 O ATOM 1206 CB TYR A 83 26.766 40.576 -39.419 1.00 22.35 C ATOM 1207 CG TYR A 83 28.072 40.068 -39.972 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.918 40.914 -40.669 1.00 54.31 C ATOM 1209 CD2 TYR A 83 28.469 38.753 -39.773 1.00 61.31 C ATOM 1210 CE1 TYR A 83 30.128 40.466 -41.156 1.00 54.50 C ATOM 1211 CE2 TYR A 83 29.677 38.293 -40.262 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.506 39.155 -40.949 1.00 0.23 C ATOM 1213 OH TYR A 83 31.720 38.712 -41.420 1.00 35.22 O ATOM 0 H TYR A 83 26.041 39.753 -36.703 1.00 2.10 H new ATOM 0 HA TYR A 83 27.788 41.743 -37.932 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.043 39.760 -39.414 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.375 41.344 -40.086 1.00 22.35 H new ATOM 0 HD1 TYR A 83 28.626 41.941 -40.834 1.00 54.31 H new ATOM 0 HD2 TYR A 83 27.824 38.079 -39.228 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.777 41.138 -41.697 1.00 54.50 H new ATOM 0 HE2 TYR A 83 29.970 37.265 -40.107 1.00 43.02 H new ATOM 0 HH TYR A 83 32.439 39.253 -41.032 1.00 35.22 H new ATOM 1223 N ILE A 84 25.923 43.327 -37.578 1.00 71.04 N ATOM 1224 CA ILE A 84 24.840 44.288 -37.464 1.00 33.43 C ATOM 1225 C ILE A 84 24.508 44.828 -38.843 1.00 24.33 C ATOM 1226 O ILE A 84 25.301 45.559 -39.431 1.00 13.30 O ATOM 1227 CB ILE A 84 25.195 45.461 -36.523 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.536 44.938 -35.127 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.044 46.459 -36.458 1.00 63.41 C ATOM 1230 CD1 ILE A 84 24.421 44.130 -34.497 1.00 21.15 C ATOM 0 H ILE A 84 26.858 43.731 -37.530 1.00 71.04 H new ATOM 0 HA ILE A 84 23.981 43.773 -37.035 1.00 33.43 H new ATOM 0 HB ILE A 84 26.070 45.974 -36.921 1.00 35.11 H new ATOM 0 HG12 ILE A 84 26.432 44.321 -35.188 1.00 70.51 H new ATOM 0 HG13 ILE A 84 25.774 45.782 -34.479 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.311 47.279 -35.791 1.00 63.41 H new ATOM 0 HG22 ILE A 84 23.847 46.852 -37.455 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.151 45.960 -36.081 1.00 63.41 H new ATOM 0 HD11 ILE A 84 24.731 43.791 -33.509 1.00 21.15 H new ATOM 0 HD12 ILE A 84 23.530 44.750 -34.404 1.00 21.15 H new ATOM 0 HD13 ILE A 84 24.199 43.266 -35.124 1.00 21.15 H new ATOM 1242 N VAL A 85 23.358 44.440 -39.369 1.00 45.21 N ATOM 1243 CA VAL A 85 22.954 44.861 -40.699 1.00 41.00 C ATOM 1244 C VAL A 85 21.814 45.868 -40.614 1.00 52.13 C ATOM 1245 O VAL A 85 20.646 45.495 -40.475 1.00 43.50 O ATOM 1246 CB VAL A 85 22.522 43.661 -41.573 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.195 44.109 -42.993 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.604 42.588 -41.585 1.00 64.33 C ATOM 0 H VAL A 85 22.688 43.834 -38.895 1.00 45.21 H new ATOM 0 HA VAL A 85 23.820 45.329 -41.168 1.00 41.00 H new ATOM 0 HB VAL A 85 21.619 43.234 -41.137 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.894 43.246 -43.587 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.381 44.834 -42.968 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.076 44.568 -43.441 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.281 41.752 -42.205 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.526 43.005 -41.990 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.780 42.238 -40.568 1.00 64.33 H new ATOM 1258 N ASP A 86 22.162 47.143 -40.672 1.00 31.13 N ATOM 1259 CA ASP A 86 21.168 48.204 -40.602 1.00 20.21 C ATOM 1260 C ASP A 86 21.002 48.852 -41.964 1.00 24.31 C ATOM 1261 O ASP A 86 21.937 49.462 -42.493 1.00 74.51 O ATOM 1262 CB ASP A 86 21.569 49.263 -39.568 1.00 4.42 C ATOM 1263 CG ASP A 86 20.435 50.226 -39.247 1.00 33.31 C ATOM 1264 OD1 ASP A 86 19.900 50.163 -38.120 1.00 21.44 O ATOM 1265 OD2 ASP A 86 20.061 51.040 -40.113 1.00 45.22 O1- ATOM 0 H ASP A 86 23.124 47.469 -40.767 1.00 31.13 H new ATOM 0 HA ASP A 86 20.220 47.763 -40.294 1.00 20.21 H new ATOM 0 HB2 ASP A 86 21.890 48.768 -38.652 1.00 4.42 H new ATOM 0 HB3 ASP A 86 22.424 49.826 -39.943 1.00 4.42 H new ATOM 1270 N ILE A 87 19.825 48.692 -42.545 1.00 70.13 N ATOM 1271 CA ILE A 87 19.515 49.332 -43.813 1.00 11.31 C ATOM 1272 C ILE A 87 19.118 50.781 -43.560 1.00 5.45 C ATOM 1273 O ILE A 87 17.938 51.093 -43.370 1.00 31.44 O ATOM 1274 CB ILE A 87 18.381 48.603 -44.568 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.720 47.116 -44.724 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.151 49.246 -45.931 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.622 46.302 -45.377 1.00 31.30 C ATOM 0 H ILE A 87 19.069 48.125 -42.160 1.00 70.13 H new ATOM 0 HA ILE A 87 20.406 49.287 -44.440 1.00 11.31 H new ATOM 0 HB ILE A 87 17.462 48.690 -43.988 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.630 47.021 -45.316 1.00 41.53 H new ATOM 0 HG13 ILE A 87 18.934 46.697 -43.741 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.349 48.721 -46.450 1.00 33.35 H new ATOM 0 HG22 ILE A 87 17.873 50.292 -45.798 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.066 49.186 -46.521 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.936 45.261 -45.452 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.716 46.365 -44.775 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.423 46.694 -46.374 1.00 31.30 H new ATOM 1289 N ALA A 88 20.113 51.652 -43.512 1.00 34.53 N ATOM 1290 CA ALA A 88 19.883 53.050 -43.215 1.00 21.21 C ATOM 1291 C ALA A 88 19.835 53.873 -44.491 1.00 23.43 C ATOM 1292 O ALA A 88 20.127 53.374 -45.577 1.00 54.14 O ATOM 1293 CB ALA A 88 20.963 53.573 -42.275 1.00 40.44 C ATOM 0 H ALA A 88 21.090 51.411 -43.676 1.00 34.53 H new ATOM 0 HA ALA A 88 18.917 53.144 -42.720 1.00 21.21 H new ATOM 0 HB1 ALA A 88 20.779 54.625 -42.059 1.00 40.44 H new ATOM 0 HB2 ALA A 88 20.944 53.003 -41.346 1.00 40.44 H new ATOM 0 HB3 ALA A 88 21.940 53.465 -42.747 1.00 40.44 H new ATOM 1299 N ASN A 89 19.455 55.128 -44.348 1.00 52.24 N ATOM 1300 CA ASN A 89 19.386 56.054 -45.464 1.00 21.13 C ATOM 1301 C ASN A 89 19.756 57.434 -44.954 1.00 22.12 C ATOM 1302 O ASN A 89 19.352 57.810 -43.854 1.00 62.21 O ATOM 1303 CB ASN A 89 17.967 56.068 -46.062 1.00 44.43 C ATOM 1304 CG ASN A 89 17.849 56.871 -47.352 1.00 51.24 C ATOM 1305 OD1 ASN A 89 18.571 57.836 -47.575 1.00 34.21 O ATOM 1306 ND2 ASN A 89 16.922 56.477 -48.211 1.00 52.10 N ATOM 0 H ASN A 89 19.185 55.536 -43.453 1.00 52.24 H new ATOM 0 HA ASN A 89 20.076 55.746 -46.249 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.654 55.042 -46.254 1.00 44.43 H new ATOM 0 HB3 ASN A 89 17.277 56.479 -45.325 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.793 56.981 -49.088 1.00 52.10 H new ATOM 0 HD22 ASN A 89 16.337 55.670 -47.995 1.00 52.10 H new ATOM 1313 N ARG A 90 20.540 58.172 -45.721 1.00 34.23 N ATOM 1314 CA ARG A 90 20.907 59.523 -45.338 1.00 61.53 C ATOM 1315 C ARG A 90 20.501 60.501 -46.427 1.00 14.51 C ATOM 1316 O ARG A 90 21.066 60.479 -47.523 1.00 31.12 O ATOM 1317 CB ARG A 90 22.409 59.630 -45.074 1.00 1.00 C ATOM 1318 CG ARG A 90 22.784 60.851 -44.251 1.00 75.44 C ATOM 1319 CD ARG A 90 24.285 61.074 -44.221 1.00 14.21 C ATOM 1320 NE ARG A 90 24.787 61.558 -45.507 1.00 45.22 N ATOM 1321 CZ ARG A 90 25.821 62.390 -45.639 1.00 45.51 C ATOM 1322 NH1 ARG A 90 26.491 62.797 -44.566 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 26.179 62.813 -46.842 1.00 21.12 N ATOM 0 H ARG A 90 20.933 57.860 -46.609 1.00 34.23 H new ATOM 0 HA ARG A 90 20.380 59.770 -44.417 1.00 61.53 H new ATOM 0 HB2 ARG A 90 22.746 58.732 -44.555 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.938 59.665 -46.027 1.00 1.00 H new ATOM 0 HG2 ARG A 90 22.294 61.732 -44.665 1.00 75.44 H new ATOM 0 HG3 ARG A 90 22.415 60.730 -43.233 1.00 75.44 H new ATOM 0 HD2 ARG A 90 24.530 61.794 -43.441 1.00 14.21 H new ATOM 0 HD3 ARG A 90 24.786 60.141 -43.963 1.00 14.21 H new ATOM 0 HE ARG A 90 24.317 61.240 -46.355 1.00 45.22 H new ATOM 0 HH11 ARG A 90 26.215 62.473 -43.639 1.00 34.45 H new ATOM 0 HH12 ARG A 90 27.281 63.433 -44.669 1.00 34.45 H new ATOM 0 HH21 ARG A 90 25.664 62.502 -47.666 1.00 21.12 H new ATOM 0 HH22 ARG A 90 26.970 63.449 -46.944 1.00 21.12 H new ATOM 1337 N ASP A 91 19.495 61.326 -46.127 1.00 14.33 N ATOM 1338 CA ASP A 91 19.011 62.375 -47.037 1.00 71.02 C ATOM 1339 C ASP A 91 18.183 61.796 -48.182 1.00 43.52 C ATOM 1340 O ASP A 91 17.111 62.308 -48.499 1.00 61.51 O ATOM 1341 CB ASP A 91 20.174 63.213 -47.589 1.00 34.34 C ATOM 1342 CG ASP A 91 19.741 64.177 -48.676 1.00 2.00 C ATOM 1343 OD1 ASP A 91 19.907 63.846 -49.867 1.00 21.24 O ATOM 1344 OD2 ASP A 91 19.252 65.280 -48.345 1.00 32.31 O1- ATOM 0 H ASP A 91 18.989 61.287 -45.242 1.00 14.33 H new ATOM 0 HA ASP A 91 18.362 63.027 -46.452 1.00 71.02 H new ATOM 0 HB2 ASP A 91 20.631 63.774 -46.773 1.00 34.34 H new ATOM 0 HB3 ASP A 91 20.940 62.546 -47.985 1.00 34.34 H new ATOM 1349 N GLY A 92 18.674 60.727 -48.791 1.00 75.32 N ATOM 1350 CA GLY A 92 17.976 60.120 -49.904 1.00 62.34 C ATOM 1351 C GLY A 92 18.688 58.891 -50.429 1.00 52.21 C ATOM 1352 O GLY A 92 18.059 57.982 -50.973 1.00 23.30 O ATOM 0 H GLY A 92 19.547 60.268 -48.532 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.968 59.847 -49.592 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.875 60.849 -50.708 1.00 62.34 H new ATOM 1356 N GLN A 93 20.003 58.857 -50.265 1.00 55.42 N ATOM 1357 CA GLN A 93 20.791 57.726 -50.725 1.00 43.03 C ATOM 1358 C GLN A 93 20.969 56.711 -49.602 1.00 53.23 C ATOM 1359 O GLN A 93 21.433 57.047 -48.506 1.00 62.41 O ATOM 1360 CB GLN A 93 22.154 58.190 -51.255 1.00 32.14 C ATOM 1361 CG GLN A 93 22.068 59.184 -52.409 1.00 62.32 C ATOM 1362 CD GLN A 93 21.876 58.536 -53.779 1.00 5.43 C ATOM 1363 OE1 GLN A 93 21.283 57.351 -53.822 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 22.280 59.094 -54.799 1.00 33.20 N flip ATOM 0 H GLN A 93 20.544 59.598 -49.818 1.00 55.42 H new ATOM 0 HA GLN A 93 20.255 57.246 -51.544 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.713 58.646 -50.438 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.721 57.318 -51.582 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.240 59.868 -52.224 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.979 59.783 -52.427 1.00 62.32 H new ATOM 0 HE21 GLN A 93 22.733 60.006 -54.736 1.00 33.20 H new ATOM 0 HE22 GLN A 93 22.162 58.645 -55.707 1.00 33.20 H new ATOM 1373 N LEU A 94 20.584 55.472 -49.884 1.00 22.14 N ATOM 1374 CA LEU A 94 20.651 54.393 -48.903 1.00 50.31 C ATOM 1375 C LEU A 94 22.086 54.147 -48.455 1.00 43.43 C ATOM 1376 O LEU A 94 23.027 54.217 -49.250 1.00 52.24 O ATOM 1377 CB LEU A 94 20.054 53.098 -49.474 1.00 41.23 C ATOM 1378 CG LEU A 94 18.522 53.009 -49.499 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.954 53.095 -48.092 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.922 54.092 -50.384 1.00 42.11 C ATOM 0 H LEU A 94 20.219 55.187 -50.793 1.00 22.14 H new ATOM 0 HA LEU A 94 20.065 54.700 -48.037 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.421 52.972 -50.493 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.436 52.259 -48.892 1.00 41.23 H new ATOM 0 HG LEU A 94 18.252 52.041 -49.921 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.867 53.030 -48.134 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.344 52.273 -47.491 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.243 54.044 -47.640 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.836 54.003 -50.382 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.207 55.073 -50.003 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.293 53.977 -51.402 1.00 42.11 H new ATOM 1392 N GLN A 95 22.245 53.863 -47.176 1.00 22.34 N ATOM 1393 CA GLN A 95 23.554 53.636 -46.599 1.00 52.10 C ATOM 1394 C GLN A 95 23.528 52.363 -45.758 1.00 55.53 C ATOM 1395 O GLN A 95 23.079 52.370 -44.611 1.00 20.22 O ATOM 1396 CB GLN A 95 23.958 54.834 -45.737 1.00 54.30 C ATOM 1397 CG GLN A 95 25.461 55.002 -45.570 1.00 4.25 C ATOM 1398 CD GLN A 95 26.122 55.685 -46.759 1.00 5.40 C ATOM 1399 OE1 GLN A 95 25.540 55.545 -47.943 1.00 14.41 O flip ATOM 1400 NE2 GLN A 95 27.145 56.356 -46.610 1.00 5.31 N flip ATOM 0 H GLN A 95 21.475 53.784 -46.512 1.00 22.34 H new ATOM 0 HA GLN A 95 24.286 53.518 -47.398 1.00 52.10 H new ATOM 0 HB2 GLN A 95 23.549 55.742 -46.181 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.504 54.729 -44.752 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.658 55.584 -44.669 1.00 4.25 H new ATOM 0 HG3 GLN A 95 25.916 54.022 -45.423 1.00 4.25 H new ATOM 0 HE21 GLN A 95 27.567 56.443 -45.686 1.00 5.31 H new ATOM 0 HE22 GLN A 95 27.569 56.824 -47.411 1.00 5.31 H new ATOM 1409 N LEU A 96 23.984 51.268 -46.347 1.00 75.11 N ATOM 1410 CA LEU A 96 23.971 49.980 -45.673 1.00 53.33 C ATOM 1411 C LEU A 96 25.149 49.872 -44.721 1.00 12.32 C ATOM 1412 O LEU A 96 26.302 49.836 -45.146 1.00 51.50 O ATOM 1413 CB LEU A 96 24.017 48.841 -46.698 1.00 11.23 C ATOM 1414 CG LEU A 96 24.061 47.430 -46.104 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.802 47.148 -45.295 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.240 46.391 -47.204 1.00 11.35 C ATOM 0 H LEU A 96 24.368 51.246 -47.292 1.00 75.11 H new ATOM 0 HA LEU A 96 23.047 49.899 -45.100 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.142 48.919 -47.343 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.893 48.979 -47.331 1.00 11.23 H new ATOM 0 HG LEU A 96 24.917 47.367 -45.433 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.853 46.141 -44.882 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.722 47.870 -44.482 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.928 47.231 -45.941 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.269 45.395 -46.762 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.406 46.454 -47.903 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.173 46.580 -47.735 1.00 11.35 H new ATOM 1428 N ASN A 97 24.857 49.827 -43.434 1.00 24.34 N ATOM 1429 CA ASN A 97 25.900 49.738 -42.425 1.00 24.31 C ATOM 1430 C ASN A 97 25.955 48.343 -41.829 1.00 43.41 C ATOM 1431 O ASN A 97 25.018 47.901 -41.165 1.00 33.42 O ATOM 1432 CB ASN A 97 25.682 50.774 -41.320 1.00 32.34 C ATOM 1433 CG ASN A 97 26.082 52.174 -41.745 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.231 52.583 -41.572 1.00 11.22 O ATOM 1435 ND2 ASN A 97 25.142 52.920 -42.311 1.00 2.51 N ATOM 0 H ASN A 97 23.908 49.851 -43.062 1.00 24.34 H new ATOM 0 HA ASN A 97 26.853 49.947 -42.912 1.00 24.31 H new ATOM 0 HB2 ASN A 97 24.632 50.773 -41.028 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.257 50.487 -40.440 1.00 32.34 H new ATOM 0 HD21 ASN A 97 25.360 53.867 -42.620 1.00 2.51 H new ATOM 0 HD22 ASN A 97 24.201 52.546 -42.437 1.00 2.51 H new ATOM 1442 N VAL A 98 27.050 47.650 -42.099 1.00 45.14 N ATOM 1443 CA VAL A 98 27.297 46.335 -41.534 1.00 72.02 C ATOM 1444 C VAL A 98 28.443 46.396 -40.533 1.00 15.31 C ATOM 1445 O VAL A 98 29.577 46.738 -40.879 1.00 42.35 O ATOM 1446 CB VAL A 98 27.621 45.288 -42.625 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.161 44.001 -42.010 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.382 44.985 -43.450 1.00 24.02 C ATOM 0 H VAL A 98 27.791 47.984 -42.715 1.00 45.14 H new ATOM 0 HA VAL A 98 26.382 46.025 -41.029 1.00 72.02 H new ATOM 0 HB VAL A 98 28.390 45.708 -43.273 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.380 43.284 -42.801 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.073 44.218 -41.454 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.416 43.580 -41.334 1.00 50.42 H new ATOM 0 HG21 VAL A 98 26.625 44.247 -44.214 1.00 24.02 H new ATOM 0 HG22 VAL A 98 25.600 44.591 -42.801 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.031 45.899 -43.928 1.00 24.02 H new ATOM 1458 N THR A 99 28.129 46.087 -39.291 1.00 13.53 N ATOM 1459 CA THR A 99 29.126 46.036 -38.245 1.00 63.52 C ATOM 1460 C THR A 99 29.643 44.612 -38.078 1.00 34.14 C ATOM 1461 O THR A 99 28.967 43.758 -37.495 1.00 52.04 O ATOM 1462 CB THR A 99 28.548 46.543 -36.914 1.00 15.12 C ATOM 1463 OG1 THR A 99 27.931 47.819 -37.115 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.634 46.670 -35.862 1.00 64.32 C ATOM 0 H THR A 99 27.183 45.866 -38.982 1.00 13.53 H new ATOM 0 HA THR A 99 29.954 46.685 -38.532 1.00 63.52 H new ATOM 0 HB THR A 99 27.809 45.822 -36.564 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.561 48.141 -36.266 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.198 47.031 -34.930 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.094 45.696 -35.694 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.392 47.375 -36.204 1.00 64.32 H new ATOM 1472 N ASP A 100 30.818 44.358 -38.637 1.00 61.11 N ATOM 1473 CA ASP A 100 31.471 43.062 -38.513 1.00 23.41 C ATOM 1474 C ASP A 100 31.902 42.834 -37.073 1.00 63.40 C ATOM 1475 O ASP A 100 32.515 43.708 -36.460 1.00 62.23 O ATOM 1476 CB ASP A 100 32.690 42.993 -39.438 1.00 14.41 C ATOM 1477 CG ASP A 100 33.441 41.682 -39.340 1.00 53.52 C ATOM 1478 OD1 ASP A 100 32.982 40.669 -39.897 1.00 4.12 O ATOM 1479 OD2 ASP A 100 34.515 41.667 -38.718 1.00 11.31 O1- ATOM 0 H ASP A 100 31.343 45.039 -39.186 1.00 61.11 H new ATOM 0 HA ASP A 100 30.764 42.284 -38.802 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.365 43.142 -40.468 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.368 43.811 -39.196 1.00 14.41 H new ATOM 1484 N ARG A 101 31.562 41.679 -36.526 1.00 1.22 N ATOM 1485 CA ARG A 101 31.932 41.358 -35.156 1.00 70.42 C ATOM 1486 C ARG A 101 33.176 40.475 -35.121 1.00 41.44 C ATOM 1487 O ARG A 101 33.898 40.439 -34.125 1.00 3.54 O ATOM 1488 CB ARG A 101 30.783 40.643 -34.446 1.00 70.04 C ATOM 1489 CG ARG A 101 30.971 40.553 -32.947 1.00 12.41 C ATOM 1490 CD ARG A 101 30.066 39.505 -32.326 1.00 13.24 C ATOM 1491 NE ARG A 101 30.437 39.226 -30.940 1.00 14.53 N ATOM 1492 CZ ARG A 101 30.104 38.113 -30.282 1.00 32.32 C ATOM 1493 NH1 ARG A 101 29.340 37.193 -30.861 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 30.533 37.919 -29.043 1.00 52.25 N ATOM 0 H ARG A 101 31.033 40.951 -37.006 1.00 1.22 H new ATOM 0 HA ARG A 101 32.148 42.294 -34.641 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.851 41.168 -34.658 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.682 39.637 -34.854 1.00 70.04 H new ATOM 0 HG2 ARG A 101 32.011 40.313 -32.725 1.00 12.41 H new ATOM 0 HG3 ARG A 101 30.765 41.524 -32.496 1.00 12.41 H new ATOM 0 HD2 ARG A 101 29.032 39.848 -32.364 1.00 13.24 H new ATOM 0 HD3 ARG A 101 30.119 38.586 -32.909 1.00 13.24 H new ATOM 0 HE ARG A 101 30.986 39.927 -30.443 1.00 14.53 H new ATOM 0 HH11 ARG A 101 29.004 37.335 -31.814 1.00 20.33 H new ATOM 0 HH12 ARG A 101 29.089 36.345 -30.353 1.00 20.33 H new ATOM 0 HH21 ARG A 101 31.119 38.621 -28.590 1.00 52.25 H new ATOM 0 HH22 ARG A 101 30.277 37.068 -28.542 1.00 52.25 H new ATOM 1508 N LYS A 102 33.426 39.776 -36.220 1.00 25.22 N ATOM 1509 CA LYS A 102 34.504 38.796 -36.279 1.00 51.24 C ATOM 1510 C LYS A 102 35.867 39.473 -36.209 1.00 24.03 C ATOM 1511 O LYS A 102 36.752 39.033 -35.475 1.00 61.52 O ATOM 1512 CB LYS A 102 34.385 37.961 -37.557 1.00 63.24 C ATOM 1513 CG LYS A 102 33.037 37.268 -37.698 1.00 64.00 C ATOM 1514 CD LYS A 102 32.991 36.357 -38.912 1.00 42.35 C ATOM 1515 CE LYS A 102 33.991 35.223 -38.791 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.906 34.285 -39.937 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.895 39.869 -37.086 1.00 25.22 H new ATOM 0 HA LYS A 102 34.414 38.137 -35.416 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.547 38.606 -38.421 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.175 37.210 -37.567 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.833 36.686 -36.800 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.250 38.018 -37.777 1.00 64.00 H new ATOM 0 HD2 LYS A 102 31.987 35.948 -39.024 1.00 42.35 H new ATOM 0 HD3 LYS A 102 33.202 36.936 -39.811 1.00 42.35 H new ATOM 0 HE2 LYS A 102 34.999 35.633 -38.732 1.00 32.33 H new ATOM 0 HE3 LYS A 102 33.813 34.679 -37.863 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 34.605 33.525 -39.816 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 32.952 33.874 -39.979 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 34.101 34.798 -40.821 1.00 73.14 H new ATOM 1530 N THR A 103 36.027 40.539 -36.975 1.00 32.11 N ATOM 1531 CA THR A 103 37.260 41.313 -36.976 1.00 65.25 C ATOM 1532 C THR A 103 36.970 42.776 -36.642 1.00 51.12 C ATOM 1533 O THR A 103 37.776 43.460 -36.010 1.00 72.12 O ATOM 1534 CB THR A 103 37.967 41.223 -38.345 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.099 41.702 -39.384 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.379 39.791 -38.649 1.00 15.44 C ATOM 0 H THR A 103 35.312 40.892 -37.611 1.00 32.11 H new ATOM 0 HA THR A 103 37.919 40.895 -36.215 1.00 65.25 H new ATOM 0 HB THR A 103 38.862 41.844 -38.304 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.171 41.473 -39.167 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.875 39.753 -39.619 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.063 39.438 -37.877 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.494 39.154 -38.669 1.00 15.44 H new ATOM 1544 N GLY A 104 35.803 43.237 -37.066 1.00 65.24 N ATOM 1545 CA GLY A 104 35.380 44.592 -36.796 1.00 42.41 C ATOM 1546 C GLY A 104 35.522 45.491 -38.001 1.00 24.42 C ATOM 1547 O GLY A 104 35.744 46.694 -37.865 1.00 13.23 O ATOM 0 H GLY A 104 35.133 42.685 -37.601 1.00 65.24 H new ATOM 0 HA2 GLY A 104 34.340 44.587 -36.471 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.969 44.996 -35.973 1.00 42.41 H new ATOM 1551 N GLN A 105 35.389 44.907 -39.186 1.00 51.35 N ATOM 1552 CA GLN A 105 35.436 45.670 -40.424 1.00 72.04 C ATOM 1553 C GLN A 105 34.158 46.481 -40.590 1.00 12.40 C ATOM 1554 O GLN A 105 33.097 45.928 -40.890 1.00 64.30 O ATOM 1555 CB GLN A 105 35.613 44.746 -41.633 1.00 71.44 C ATOM 1556 CG GLN A 105 36.924 43.985 -41.644 1.00 11.23 C ATOM 1557 CD GLN A 105 37.100 43.159 -42.902 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.635 43.637 -43.902 1.00 42.45 O ATOM 1559 NE2 GLN A 105 36.664 41.912 -42.862 1.00 23.32 N ATOM 0 H GLN A 105 35.247 43.905 -39.314 1.00 51.35 H new ATOM 0 HA GLN A 105 36.292 46.343 -40.370 1.00 72.04 H new ATOM 0 HB2 GLN A 105 34.790 44.031 -41.654 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.542 45.340 -42.544 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.751 44.690 -41.556 1.00 11.23 H new ATOM 0 HG3 GLN A 105 36.969 43.331 -40.773 1.00 11.23 H new ATOM 0 HE21 GLN A 105 36.226 41.552 -42.014 1.00 23.32 H new ATOM 0 HE22 GLN A 105 36.766 41.310 -43.679 1.00 23.32 H new ATOM 1568 N THR A 106 34.250 47.783 -40.370 1.00 25.35 N ATOM 1569 CA THR A 106 33.115 48.665 -40.566 1.00 43.25 C ATOM 1570 C THR A 106 32.766 48.747 -42.049 1.00 44.11 C ATOM 1571 O THR A 106 33.439 49.428 -42.824 1.00 33.22 O ATOM 1572 CB THR A 106 33.403 50.073 -40.014 1.00 61.32 C ATOM 1573 OG1 THR A 106 33.828 49.972 -38.646 1.00 1.35 O ATOM 1574 CG2 THR A 106 32.166 50.957 -40.095 1.00 5.13 C ATOM 0 H THR A 106 35.100 48.251 -40.056 1.00 25.35 H new ATOM 0 HA THR A 106 32.267 48.253 -40.019 1.00 43.25 H new ATOM 0 HB THR A 106 34.189 50.525 -40.619 1.00 61.32 H new ATOM 0 HG1 THR A 106 34.013 50.868 -38.294 1.00 1.35 H new ATOM 0 HG21 THR A 106 32.398 51.945 -39.698 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.851 51.048 -41.135 1.00 5.13 H new ATOM 0 HG23 THR A 106 31.361 50.511 -39.510 1.00 5.13 H new ATOM 1582 N SER A 107 31.734 48.020 -42.443 1.00 30.10 N ATOM 1583 CA SER A 107 31.332 47.967 -43.834 1.00 71.15 C ATOM 1584 C SER A 107 30.150 48.896 -44.087 1.00 42.21 C ATOM 1585 O SER A 107 29.000 48.546 -43.822 1.00 53.14 O ATOM 1586 CB SER A 107 30.980 46.528 -44.217 1.00 62.32 C ATOM 1587 OG SER A 107 32.059 45.655 -43.928 1.00 35.01 O ATOM 0 H SER A 107 31.159 47.458 -41.815 1.00 30.10 H new ATOM 0 HA SER A 107 32.163 48.303 -44.455 1.00 71.15 H new ATOM 0 HB2 SER A 107 30.091 46.208 -43.673 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.739 46.477 -45.279 1.00 62.32 H new ATOM 0 HG SER A 107 31.815 44.739 -44.178 1.00 35.01 H new ATOM 1593 N THR A 108 30.443 50.097 -44.560 1.00 61.34 N ATOM 1594 CA THR A 108 29.406 51.050 -44.904 1.00 45.01 C ATOM 1595 C THR A 108 29.251 51.128 -46.418 1.00 51.14 C ATOM 1596 O THR A 108 30.039 51.780 -47.110 1.00 24.12 O ATOM 1597 CB THR A 108 29.716 52.448 -44.331 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.016 52.345 -42.929 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.534 53.389 -44.526 1.00 12.31 C ATOM 0 H THR A 108 31.394 50.433 -44.714 1.00 61.34 H new ATOM 0 HA THR A 108 28.471 50.705 -44.462 1.00 45.01 H new ATOM 0 HB THR A 108 30.577 52.852 -44.864 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.187 52.412 -42.411 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.777 54.368 -44.114 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.318 53.486 -45.590 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.660 52.986 -44.014 1.00 12.31 H new ATOM 1607 N ILE A 109 28.245 50.436 -46.930 1.00 13.34 N ATOM 1608 CA ILE A 109 28.023 50.355 -48.364 1.00 55.11 C ATOM 1609 C ILE A 109 27.100 51.473 -48.825 1.00 14.15 C ATOM 1610 O ILE A 109 25.970 51.600 -48.347 1.00 1.14 O ATOM 1611 CB ILE A 109 27.422 48.989 -48.796 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.378 47.829 -48.482 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.087 48.997 -50.282 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.388 47.399 -47.028 1.00 12.41 C ATOM 0 H ILE A 109 27.566 49.920 -46.370 1.00 13.34 H new ATOM 0 HA ILE A 109 29.000 50.458 -48.835 1.00 55.11 H new ATOM 0 HB ILE A 109 26.506 48.839 -48.224 1.00 61.20 H new ATOM 0 HG12 ILE A 109 28.105 46.973 -49.099 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.389 48.120 -48.769 1.00 73.01 H new ATOM 0 HG21 ILE A 109 26.667 48.032 -50.566 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.360 49.783 -50.487 1.00 4.42 H new ATOM 0 HG23 ILE A 109 27.994 49.182 -50.858 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.090 46.576 -46.897 1.00 12.41 H new ATOM 0 HD12 ILE A 109 28.692 48.238 -46.402 1.00 12.41 H new ATOM 0 HD13 ILE A 109 27.389 47.074 -46.738 1.00 12.41 H new ATOM 1626 N GLN A 110 27.589 52.289 -49.742 1.00 42.43 N ATOM 1627 CA GLN A 110 26.783 53.347 -50.326 1.00 3.53 C ATOM 1628 C GLN A 110 25.929 52.776 -51.449 1.00 10.22 C ATOM 1629 O GLN A 110 26.447 52.377 -52.491 1.00 61.10 O ATOM 1630 CB GLN A 110 27.672 54.472 -50.856 1.00 51.25 C ATOM 1631 CG GLN A 110 28.581 55.072 -49.799 1.00 2.41 C ATOM 1632 CD GLN A 110 29.437 56.199 -50.337 1.00 4.14 C ATOM 1633 OE1 GLN A 110 29.040 57.363 -50.310 1.00 23.33 O ATOM 1634 NE2 GLN A 110 30.618 55.865 -50.831 1.00 32.10 N ATOM 0 H GLN A 110 28.543 52.239 -50.099 1.00 42.43 H new ATOM 0 HA GLN A 110 26.133 53.762 -49.555 1.00 3.53 H new ATOM 0 HB2 GLN A 110 28.282 54.088 -51.674 1.00 51.25 H new ATOM 0 HB3 GLN A 110 27.041 55.258 -51.271 1.00 51.25 H new ATOM 0 HG2 GLN A 110 27.975 55.444 -48.973 1.00 2.41 H new ATOM 0 HG3 GLN A 110 29.226 54.292 -49.395 1.00 2.41 H new ATOM 0 HE21 GLN A 110 30.911 54.888 -50.835 1.00 32.10 H new ATOM 0 HE22 GLN A 110 31.235 56.584 -51.207 1.00 32.10 H new ATOM 1643 N VAL A 111 24.626 52.709 -51.225 1.00 22.34 N ATOM 1644 CA VAL A 111 23.721 52.137 -52.207 1.00 74.24 C ATOM 1645 C VAL A 111 23.265 53.206 -53.190 1.00 21.00 C ATOM 1646 O VAL A 111 22.813 54.279 -52.783 1.00 75.11 O ATOM 1647 CB VAL A 111 22.494 51.488 -51.532 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.582 50.842 -52.562 1.00 13.23 C ATOM 1649 CG2 VAL A 111 22.933 50.471 -50.488 1.00 44.35 C ATOM 0 H VAL A 111 24.173 53.043 -50.374 1.00 22.34 H new ATOM 0 HA VAL A 111 24.264 51.360 -52.745 1.00 74.24 H new ATOM 0 HB VAL A 111 21.929 52.274 -51.031 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.726 50.393 -52.059 1.00 13.23 H new ATOM 0 HG12 VAL A 111 21.234 51.599 -53.265 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.132 50.071 -53.102 1.00 13.23 H new ATOM 0 HG21 VAL A 111 22.054 50.024 -50.023 1.00 44.35 H new ATOM 0 HG22 VAL A 111 23.526 49.692 -50.966 1.00 44.35 H new ATOM 0 HG23 VAL A 111 23.533 50.968 -49.726 1.00 44.35 H new ATOM 1659 N SER A 112 23.395 52.899 -54.481 1.00 13.43 N ATOM 1660 CA SER A 112 23.075 53.835 -55.550 1.00 25.44 C ATOM 1661 C SER A 112 24.099 54.975 -55.563 1.00 41.43 C ATOM 1662 O SER A 112 25.232 54.802 -55.115 1.00 54.32 O ATOM 1663 CB SER A 112 21.639 54.366 -55.398 1.00 73.52 C ATOM 1664 OG SER A 112 21.240 55.120 -56.534 1.00 50.04 O ATOM 0 H SER A 112 23.726 51.992 -54.811 1.00 13.43 H new ATOM 0 HA SER A 112 23.128 53.317 -56.507 1.00 25.44 H new ATOM 0 HB2 SER A 112 20.954 53.530 -55.256 1.00 73.52 H new ATOM 0 HB3 SER A 112 21.572 54.988 -54.505 1.00 73.52 H new ATOM 0 HG SER A 112 21.221 54.538 -57.323 1.00 50.04 H new ATOM 1670 N GLY A 113 23.712 56.124 -56.093 1.00 3.12 N ATOM 1671 CA GLY A 113 24.629 57.237 -56.195 1.00 51.54 C ATOM 1672 C GLY A 113 25.306 57.265 -57.545 1.00 51.43 C ATOM 1673 O GLY A 113 25.002 58.116 -58.383 1.00 53.21 O ATOM 0 H GLY A 113 22.776 56.305 -56.455 1.00 3.12 H new ATOM 0 HA2 GLY A 113 24.090 58.171 -56.036 1.00 51.54 H new ATOM 0 HA3 GLY A 113 25.381 57.165 -55.409 1.00 51.54 H new ATOM 1677 N LEU A 114 26.204 56.318 -57.767 1.00 24.32 N ATOM 1678 CA LEU A 114 26.895 56.205 -59.039 1.00 41.32 C ATOM 1679 C LEU A 114 26.206 55.169 -59.917 1.00 21.34 C ATOM 1680 O LEU A 114 26.673 54.036 -60.049 1.00 34.33 O ATOM 1681 CB LEU A 114 28.364 55.833 -58.823 1.00 64.43 C ATOM 1682 CG LEU A 114 29.172 56.846 -58.009 1.00 3.52 C ATOM 1683 CD1 LEU A 114 30.594 56.357 -57.804 1.00 71.24 C ATOM 1684 CD2 LEU A 114 29.172 58.208 -58.689 1.00 25.04 C ATOM 0 H LEU A 114 26.471 55.614 -57.079 1.00 24.32 H new ATOM 0 HA LEU A 114 26.859 57.171 -59.542 1.00 41.32 H new ATOM 0 HB2 LEU A 114 28.409 54.867 -58.321 1.00 64.43 H new ATOM 0 HB3 LEU A 114 28.839 55.709 -59.796 1.00 64.43 H new ATOM 0 HG LEU A 114 28.699 56.950 -57.033 1.00 3.52 H new ATOM 0 HD11 LEU A 114 31.151 57.092 -57.223 1.00 71.24 H new ATOM 0 HD12 LEU A 114 30.579 55.407 -57.269 1.00 71.24 H new ATOM 0 HD13 LEU A 114 31.075 56.220 -58.773 1.00 71.24 H new ATOM 0 HD21 LEU A 114 29.752 58.912 -58.093 1.00 25.04 H new ATOM 0 HD22 LEU A 114 29.616 58.120 -59.680 1.00 25.04 H new ATOM 0 HD23 LEU A 114 28.148 58.569 -58.781 1.00 25.04 H new ATOM 1696 N GLN A 115 25.063 55.554 -60.467 1.00 45.34 N ATOM 1697 CA GLN A 115 24.282 54.683 -61.335 1.00 40.42 C ATOM 1698 C GLN A 115 23.719 55.483 -62.503 1.00 4.04 C ATOM 1699 O GLN A 115 23.168 56.568 -62.308 1.00 53.53 O ATOM 1700 CB GLN A 115 23.126 54.036 -60.558 1.00 34.14 C ATOM 1701 CG GLN A 115 23.565 53.069 -59.468 1.00 25.34 C ATOM 1702 CD GLN A 115 22.394 52.490 -58.693 1.00 62.34 C ATOM 1703 OE1 GLN A 115 21.357 53.136 -58.532 1.00 30.31 O ATOM 1704 NE2 GLN A 115 22.553 51.270 -58.206 1.00 61.02 N ATOM 0 H GLN A 115 24.651 56.476 -60.325 1.00 45.34 H new ATOM 0 HA GLN A 115 24.938 53.898 -61.710 1.00 40.42 H new ATOM 0 HB2 GLN A 115 22.522 54.823 -60.107 1.00 34.14 H new ATOM 0 HB3 GLN A 115 22.484 53.505 -61.261 1.00 34.14 H new ATOM 0 HG2 GLN A 115 24.136 52.256 -59.917 1.00 25.34 H new ATOM 0 HG3 GLN A 115 24.233 53.584 -58.778 1.00 25.34 H new ATOM 0 HE21 GLN A 115 23.428 50.769 -58.362 1.00 61.02 H new ATOM 0 HE22 GLN A 115 21.801 50.831 -57.675 1.00 61.02 H new ATOM 1713 N ASN A 116 23.862 54.953 -63.710 1.00 43.54 N ATOM 1714 CA ASN A 116 23.350 55.615 -64.908 1.00 10.42 C ATOM 1715 C ASN A 116 23.250 54.636 -66.070 1.00 30.14 C ATOM 1716 O ASN A 116 23.769 53.520 -65.998 1.00 42.14 O ATOM 1717 CB ASN A 116 24.232 56.810 -65.308 1.00 13.45 C ATOM 1718 CG ASN A 116 25.691 56.445 -65.543 1.00 41.32 C ATOM 1719 OD1 ASN A 116 26.025 55.320 -65.913 1.00 22.52 O ATOM 1720 ND2 ASN A 116 26.572 57.409 -65.346 1.00 63.44 N ATOM 0 H ASN A 116 24.329 54.064 -63.888 1.00 43.54 H new ATOM 0 HA ASN A 116 22.353 55.986 -64.672 1.00 10.42 H new ATOM 0 HB2 ASN A 116 23.829 57.260 -66.215 1.00 13.45 H new ATOM 0 HB3 ASN A 116 24.178 57.567 -64.526 1.00 13.45 H new ATOM 0 HD21 ASN A 116 27.565 57.232 -65.501 1.00 63.44 H new ATOM 0 HD22 ASN A 116 26.260 58.330 -65.039 1.00 63.44 H new ATOM 1727 N ASN A 117 22.572 55.043 -67.130 1.00 33.24 N ATOM 1728 CA ASN A 117 22.497 54.238 -68.342 1.00 2.33 C ATOM 1729 C ASN A 117 22.350 55.121 -69.571 1.00 51.41 C ATOM 1730 O ASN A 117 21.823 56.230 -69.492 1.00 1.42 O ATOM 1731 CB ASN A 117 21.326 53.244 -68.289 1.00 61.13 C ATOM 1732 CG ASN A 117 19.958 53.911 -68.356 1.00 30.42 C ATOM 1733 OD1 ASN A 117 19.741 54.991 -67.803 1.00 34.24 O ATOM 1734 ND2 ASN A 117 19.023 53.277 -69.047 1.00 5.04 N ATOM 0 H ASN A 117 22.065 55.927 -67.178 1.00 33.24 H new ATOM 0 HA ASN A 117 23.429 53.676 -68.409 1.00 2.33 H new ATOM 0 HB2 ASN A 117 21.419 52.541 -69.117 1.00 61.13 H new ATOM 0 HB3 ASN A 117 21.394 52.664 -67.369 1.00 61.13 H new ATOM 0 HD21 ASN A 117 18.091 53.681 -69.134 1.00 5.04 H new ATOM 0 HD22 ASN A 117 19.235 52.384 -69.493 1.00 5.04 H new ATOM 1741 N SER A 118 22.837 54.633 -70.695 1.00 14.15 N ATOM 1742 CA SER A 118 22.657 55.308 -71.967 1.00 75.22 C ATOM 1743 C SER A 118 21.834 54.410 -72.884 1.00 42.11 C ATOM 1744 O SER A 118 21.852 53.187 -72.724 1.00 3.43 O ATOM 1745 CB SER A 118 24.018 55.625 -72.595 1.00 22.31 C ATOM 1746 OG SER A 118 23.897 56.501 -73.706 1.00 43.44 O ATOM 0 H SER A 118 23.366 53.763 -70.753 1.00 14.15 H new ATOM 0 HA SER A 118 22.131 56.251 -71.817 1.00 75.22 H new ATOM 0 HB2 SER A 118 24.667 56.077 -71.845 1.00 22.31 H new ATOM 0 HB3 SER A 118 24.496 54.698 -72.914 1.00 22.31 H new ATOM 0 HG SER A 118 24.785 56.681 -74.079 1.00 43.44 H new ATOM 1752 N THR A 119 21.106 55.008 -73.821 1.00 1.13 N ATOM 1753 CA THR A 119 20.261 54.244 -74.732 1.00 11.34 C ATOM 1754 C THR A 119 21.098 53.255 -75.543 1.00 73.20 C ATOM 1755 O THR A 119 22.095 53.623 -76.172 1.00 53.00 O ATOM 1756 CB THR A 119 19.452 55.172 -75.676 1.00 14.15 C ATOM 1757 OG1 THR A 119 18.577 54.400 -76.514 1.00 61.21 O ATOM 1758 CG2 THR A 119 20.365 56.031 -76.543 1.00 31.13 C ATOM 0 H THR A 119 21.084 56.017 -73.970 1.00 1.13 H new ATOM 0 HA THR A 119 19.548 53.685 -74.126 1.00 11.34 H new ATOM 0 HB THR A 119 18.859 55.835 -75.046 1.00 14.15 H new ATOM 0 HG1 THR A 119 18.073 55.001 -77.102 1.00 61.21 H new ATOM 0 HG21 THR A 119 19.760 56.667 -77.190 1.00 31.13 H new ATOM 0 HG22 THR A 119 20.992 56.654 -75.905 1.00 31.13 H new ATOM 0 HG23 THR A 119 20.997 55.387 -77.155 1.00 31.13 H new ATOM 1766 N ASP A 120 20.702 51.992 -75.503 1.00 14.24 N ATOM 1767 CA ASP A 120 21.447 50.937 -76.171 1.00 62.41 C ATOM 1768 C ASP A 120 21.132 50.897 -77.664 1.00 11.22 C ATOM 1769 O ASP A 120 20.167 50.268 -78.104 1.00 34.13 O ATOM 1770 CB ASP A 120 21.175 49.573 -75.512 1.00 21.11 C ATOM 1771 CG ASP A 120 19.706 49.182 -75.508 1.00 5.01 C ATOM 1772 OD1 ASP A 120 19.360 48.142 -76.112 1.00 42.22 O ATOM 1773 OD2 ASP A 120 18.888 49.909 -74.903 1.00 22.14 O1- ATOM 0 H ASP A 120 19.866 51.672 -75.013 1.00 14.24 H new ATOM 0 HA ASP A 120 22.509 51.159 -76.064 1.00 62.41 H new ATOM 0 HB2 ASP A 120 21.745 48.806 -76.035 1.00 21.11 H new ATOM 0 HB3 ASP A 120 21.539 49.596 -74.485 1.00 21.11 H new ATOM 1778 N PHE A 121 21.926 51.620 -78.441 1.00 13.21 N ATOM 1779 CA PHE A 121 21.798 51.595 -79.889 1.00 25.12 C ATOM 1780 C PHE A 121 22.195 50.216 -80.403 1.00 43.12 C ATOM 1781 O PHE A 121 23.162 49.627 -79.923 1.00 24.43 O ATOM 1782 CB PHE A 121 22.658 52.693 -80.538 1.00 11.52 C ATOM 1783 CG PHE A 121 24.142 52.560 -80.293 1.00 23.13 C ATOM 1784 CD1 PHE A 121 24.972 52.016 -81.262 1.00 75.24 C ATOM 1785 CD2 PHE A 121 24.703 52.986 -79.099 1.00 41.35 C ATOM 1786 CE1 PHE A 121 26.331 51.897 -81.044 1.00 60.15 C ATOM 1787 CE2 PHE A 121 26.062 52.868 -78.875 1.00 43.42 C ATOM 1788 CZ PHE A 121 26.878 52.324 -79.849 1.00 30.42 C ATOM 0 H PHE A 121 22.665 52.230 -78.092 1.00 13.21 H new ATOM 0 HA PHE A 121 20.761 51.794 -80.160 1.00 25.12 H new ATOM 0 HB2 PHE A 121 22.479 52.687 -81.613 1.00 11.52 H new ATOM 0 HB3 PHE A 121 22.327 53.662 -80.165 1.00 11.52 H new ATOM 0 HD1 PHE A 121 24.551 51.681 -82.198 1.00 75.24 H new ATOM 0 HD2 PHE A 121 24.071 53.415 -78.335 1.00 41.35 H new ATOM 0 HE1 PHE A 121 26.965 51.471 -81.807 1.00 60.15 H new ATOM 0 HE2 PHE A 121 26.486 53.201 -77.939 1.00 43.42 H new ATOM 0 HZ PHE A 121 27.940 52.233 -79.677 1.00 30.42 H new ATOM 1798 N HIS A 122 21.444 49.698 -81.362 1.00 74.33 N ATOM 1799 CA HIS A 122 21.680 48.346 -81.852 1.00 33.51 C ATOM 1800 C HIS A 122 23.000 48.264 -82.599 1.00 61.51 C ATOM 1801 O HIS A 122 23.237 48.997 -83.561 1.00 44.21 O ATOM 1802 CB HIS A 122 20.519 47.876 -82.725 1.00 14.54 C ATOM 1803 CG HIS A 122 19.274 47.604 -81.935 1.00 14.41 C ATOM 1804 ND1 HIS A 122 18.860 46.334 -81.609 1.00 72.31 N ATOM 1805 CD2 HIS A 122 18.367 48.446 -81.388 1.00 55.51 C ATOM 1806 CE1 HIS A 122 17.754 46.405 -80.896 1.00 74.34 C ATOM 1807 NE2 HIS A 122 17.433 47.676 -80.745 1.00 72.12 N ATOM 0 H HIS A 122 20.672 50.187 -81.814 1.00 74.33 H new ATOM 0 HA HIS A 122 21.743 47.678 -80.993 1.00 33.51 H new ATOM 0 HB2 HIS A 122 20.307 48.634 -83.480 1.00 14.54 H new ATOM 0 HB3 HIS A 122 20.812 46.970 -83.256 1.00 14.54 H new ATOM 0 HD2 HIS A 122 18.377 49.524 -81.447 1.00 55.51 H new ATOM 0 HE1 HIS A 122 17.203 45.564 -80.502 1.00 74.34 H new ATOM 0 HE2 HIS A 122 16.623 48.028 -80.234 1.00 72.12 H new ATOM 1816 N HIS A 123 23.853 47.363 -82.138 1.00 41.22 N ATOM 1817 CA HIS A 123 25.223 47.265 -82.615 1.00 40.20 C ATOM 1818 C HIS A 123 25.320 46.349 -83.826 1.00 14.21 C ATOM 1819 O HIS A 123 24.668 45.304 -83.883 1.00 55.44 O ATOM 1820 CB HIS A 123 26.134 46.724 -81.504 1.00 64.15 C ATOM 1821 CG HIS A 123 26.084 47.510 -80.226 1.00 33.35 C ATOM 1822 ND1 HIS A 123 27.038 48.438 -79.879 1.00 51.31 N ATOM 1823 CD2 HIS A 123 25.198 47.484 -79.200 1.00 23.32 C ATOM 1824 CE1 HIS A 123 26.744 48.947 -78.698 1.00 62.03 C ATOM 1825 NE2 HIS A 123 25.634 48.389 -78.264 1.00 11.12 N ATOM 0 H HIS A 123 23.614 46.678 -81.421 1.00 41.22 H new ATOM 0 HA HIS A 123 25.545 48.266 -82.904 1.00 40.20 H new ATOM 0 HB2 HIS A 123 25.856 45.691 -81.293 1.00 64.15 H new ATOM 0 HB3 HIS A 123 27.161 46.709 -81.868 1.00 64.15 H new ATOM 0 HD2 HIS A 123 24.314 46.867 -79.132 1.00 23.32 H new ATOM 0 HE1 HIS A 123 27.319 49.697 -78.174 1.00 62.03 H new ATOM 0 HE2 HIS A 123 25.173 48.595 -77.378 1.00 11.12 H new ATOM 1834 N HIS A 124 26.130 46.747 -84.792 1.00 75.21 N ATOM 1835 CA HIS A 124 26.428 45.911 -85.942 1.00 61.31 C ATOM 1836 C HIS A 124 27.931 45.979 -86.207 1.00 45.43 C ATOM 1837 O HIS A 124 28.689 46.421 -85.339 1.00 72.22 O ATOM 1838 CB HIS A 124 25.617 46.364 -87.162 1.00 55.11 C ATOM 1839 CG HIS A 124 25.195 45.233 -88.061 1.00 30.43 C ATOM 1840 ND1 HIS A 124 25.880 44.157 -88.513 1.00 72.32 N flip ATOM 1841 CD2 HIS A 124 23.934 45.135 -88.610 1.00 11.23 C flip ATOM 1842 CE1 HIS A 124 25.032 43.439 -89.317 1.00 60.11 C flip ATOM 1843 NE2 HIS A 124 23.866 44.050 -89.358 1.00 42.31 N flip ATOM 0 H HIS A 124 26.597 47.654 -84.802 1.00 75.21 H new ATOM 0 HA HIS A 124 26.146 44.877 -85.742 1.00 61.31 H new ATOM 0 HB2 HIS A 124 24.729 46.896 -86.820 1.00 55.11 H new ATOM 0 HB3 HIS A 124 26.211 47.073 -87.739 1.00 55.11 H new ATOM 0 HD2 HIS A 124 23.128 45.836 -88.452 1.00 11.23 H new ATOM 0 HE1 HIS A 124 25.280 42.523 -89.832 1.00 60.11 H new ATOM 0 HE2 HIS A 124 23.048 43.737 -89.880 1.00 42.31 H new ATOM 1852 N HIS A 125 28.372 45.555 -87.383 1.00 33.11 N ATOM 1853 CA HIS A 125 29.796 45.463 -87.658 1.00 42.42 C ATOM 1854 C HIS A 125 30.221 46.489 -88.699 1.00 12.25 C ATOM 1855 O HIS A 125 30.120 46.252 -89.902 1.00 65.23 O ATOM 1856 CB HIS A 125 30.160 44.052 -88.128 1.00 11.44 C ATOM 1857 CG HIS A 125 31.635 43.797 -88.172 1.00 60.43 C ATOM 1858 ND1 HIS A 125 32.361 43.432 -87.061 1.00 71.41 N ATOM 1859 CD2 HIS A 125 32.520 43.863 -89.194 1.00 3.32 C ATOM 1860 CE1 HIS A 125 33.630 43.286 -87.397 1.00 54.41 C ATOM 1861 NE2 HIS A 125 33.752 43.541 -88.685 1.00 54.24 N ATOM 0 H HIS A 125 27.769 45.272 -88.155 1.00 33.11 H new ATOM 0 HA HIS A 125 30.331 45.676 -86.732 1.00 42.42 H new ATOM 0 HB2 HIS A 125 29.694 43.325 -87.463 1.00 11.44 H new ATOM 0 HB3 HIS A 125 29.742 43.890 -89.121 1.00 11.44 H new ATOM 0 HD2 HIS A 125 32.297 44.121 -90.219 1.00 3.32 H new ATOM 0 HE1 HIS A 125 34.432 43.005 -86.730 1.00 54.41 H new ATOM 0 HE2 HIS A 125 34.622 43.505 -89.217 1.00 54.24 H new ATOM 1870 N HIS A 126 30.678 47.634 -88.225 1.00 22.41 N ATOM 1871 CA HIS A 126 31.250 48.652 -89.091 1.00 73.13 C ATOM 1872 C HIS A 126 32.765 48.457 -89.111 1.00 14.44 C ATOM 1873 O HIS A 126 33.275 47.612 -88.372 1.00 61.23 O ATOM 1874 CB HIS A 126 30.878 50.051 -88.571 1.00 23.41 C ATOM 1875 CG HIS A 126 30.958 51.149 -89.595 1.00 43.53 C ATOM 1876 ND1 HIS A 126 31.983 51.955 -89.960 1.00 63.22 N flip ATOM 1877 CD2 HIS A 126 29.885 51.533 -90.371 1.00 54.42 C flip ATOM 1878 CE1 HIS A 126 31.517 52.795 -90.938 1.00 42.22 C flip ATOM 1879 NE2 HIS A 126 30.248 52.518 -91.166 1.00 15.42 N flip ATOM 0 H HIS A 126 30.664 47.884 -87.236 1.00 22.41 H new ATOM 0 HA HIS A 126 30.858 48.562 -90.104 1.00 73.13 H new ATOM 0 HB2 HIS A 126 29.863 50.017 -88.174 1.00 23.41 H new ATOM 0 HB3 HIS A 126 31.537 50.301 -87.740 1.00 23.41 H new ATOM 0 HD2 HIS A 126 28.899 51.094 -90.333 1.00 54.42 H new ATOM 0 HE1 HIS A 126 32.094 53.558 -91.439 1.00 42.22 H new ATOM 0 HE2 HIS A 126 29.648 52.988 -91.844 1.00 15.42 H new ATOM 1888 N HIS A 127 33.470 49.229 -89.939 1.00 12.35 N ATOM 1889 CA HIS A 127 34.930 49.128 -90.076 1.00 31.34 C ATOM 1890 C HIS A 127 35.306 47.903 -90.893 1.00 12.31 C ATOM 1891 O HIS A 127 35.476 48.045 -92.122 1.00 54.42 O ATOM 1892 CB HIS A 127 35.650 49.098 -88.717 1.00 12.42 C ATOM 1893 CG HIS A 127 35.842 50.446 -88.096 1.00 22.42 C ATOM 1894 ND1 HIS A 127 37.072 50.908 -87.691 1.00 5.05 N ATOM 1895 CD2 HIS A 127 34.959 51.431 -87.812 1.00 4.12 C ATOM 1896 CE1 HIS A 127 36.941 52.118 -87.183 1.00 42.13 C ATOM 1897 NE2 HIS A 127 35.670 52.458 -87.245 1.00 54.43 N ATOM 1898 OXT HIS A 127 35.418 46.807 -90.317 1.00 0.00 O1- ATOM 0 H HIS A 127 33.049 49.942 -90.534 1.00 12.35 H new ATOM 0 HA HIS A 127 35.260 50.027 -90.597 1.00 31.34 H new ATOM 0 HB2 HIS A 127 35.081 48.472 -88.030 1.00 12.42 H new ATOM 0 HB3 HIS A 127 36.625 48.627 -88.845 1.00 12.42 H new ATOM 0 HD2 HIS A 127 33.895 51.412 -87.997 1.00 4.12 H new ATOM 0 HE1 HIS A 127 37.739 52.726 -86.784 1.00 42.13 H new ATOM 0 HE2 HIS A 127 35.278 53.343 -86.923 1.00 54.43 H new TER 1907 HIS A 127