USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= -3.77! K(o=-9.1!,f=-4.2) USER MOD Set 1.2: A 59 GLN : amide:sc= -5.37! C(o=-9.1!,f=-5.4!) USER MOD Set 2.1: A 51 THR OG1 : rot -56:sc= 0.686 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 23 ASN : amide:sc= -2.09 K(o=-2.5,f=1.8) USER MOD Set 3.2: A 96 THR OG1 : rot -170:sc= -0.453 USER MOD Set 4.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 37 THR OG1 : rot 59:sc= 1.06 USER MOD Single : A 1 GLU N :NH3+ -115:sc= 0.107 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0831 USER MOD Single : A 8 SER OG : rot 60:sc= 0.0573 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.92 K(o=-0.92,f=-0.034) USER MOD Single : A 22 THR OG1 : rot -83:sc= -0.662 USER MOD Single : A 25 ASN : amide:sc= -4.21! K(o=-4.2!,f=-0.91) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 29 SER OG : rot 65:sc= 0.0988 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2 K(o=-2,f=-0.16) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -98:sc= 0.113 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00217) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.534 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.4!) USER MOD Single : A 66 SER OG : rot -130:sc= 0 USER MOD Single : A 68 THR OG1 : rot -44:sc= 0.365 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -4.59! C(o=-4.6!,f=-7.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 20:sc= -0.692 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0223 X(o=-0.022,f=-0.06) USER MOD Single : A 93 THR OG1 : rot -172:sc= 1.96 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 151:sc= 1.24 (180deg=0.267) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 18.904 16.850 21.011 1.00 34.02 N ATOM 2 CA GLU A 1 19.051 15.460 20.597 1.00 73.31 C ATOM 3 C GLU A 1 18.679 15.288 19.127 1.00 64.13 C ATOM 4 O GLU A 1 18.200 16.221 18.484 1.00 73.42 O ATOM 5 CB GLU A 1 18.177 14.551 21.464 1.00 24.33 C ATOM 6 CG GLU A 1 18.875 14.053 22.719 1.00 63.43 C ATOM 7 CD GLU A 1 19.169 12.566 22.671 1.00 23.25 C ATOM 8 OE1 GLU A 1 19.875 12.131 21.738 1.00 64.34 O ATOM 9 OE2 GLU A 1 18.694 11.838 23.567 1.00 34.43 O ATOM 0 H1 GLU A 1 19.836 17.239 21.260 1.00 34.02 H new ATOM 0 H2 GLU A 1 18.495 17.403 20.231 1.00 34.02 H new ATOM 0 H3 GLU A 1 18.275 16.901 21.838 1.00 34.02 H new ATOM 0 HA GLU A 1 20.096 15.178 20.726 1.00 73.31 H new ATOM 0 HB2 GLU A 1 17.276 15.093 21.750 1.00 24.33 H new ATOM 0 HB3 GLU A 1 17.859 13.694 20.871 1.00 24.33 H new ATOM 0 HG2 GLU A 1 19.808 14.600 22.853 1.00 63.43 H new ATOM 0 HG3 GLU A 1 18.252 14.269 23.587 1.00 63.43 H new ATOM 16 N ASN A 2 18.906 14.088 18.602 1.00 40.14 N ATOM 17 CA ASN A 2 18.597 13.793 17.207 1.00 12.41 C ATOM 18 C ASN A 2 19.267 14.800 16.277 1.00 54.21 C ATOM 19 O ASN A 2 18.681 15.828 15.934 1.00 65.14 O ATOM 20 CB ASN A 2 17.083 13.806 16.985 1.00 20.51 C ATOM 21 CG ASN A 2 16.467 12.427 17.123 1.00 23.45 C ATOM 22 OD1 ASN A 2 16.893 11.625 17.956 1.00 51.24 O ATOM 23 ND2 ASN A 2 15.460 12.144 16.306 1.00 72.12 N ATOM 0 H ASN A 2 19.303 13.305 19.121 1.00 40.14 H new ATOM 0 HA ASN A 2 18.983 12.800 16.977 1.00 12.41 H new ATOM 0 HB2 ASN A 2 16.619 14.482 17.703 1.00 20.51 H new ATOM 0 HB3 ASN A 2 16.867 14.200 15.992 1.00 20.51 H new ATOM 0 HD21 ASN A 2 15.006 11.232 16.353 1.00 72.12 H new ATOM 0 HD22 ASN A 2 15.140 12.839 15.631 1.00 72.12 H new ATOM 30 N ILE A 3 20.495 14.497 15.872 1.00 5.35 N ATOM 31 CA ILE A 3 21.244 15.375 14.981 1.00 73.41 C ATOM 32 C ILE A 3 21.865 14.589 13.831 1.00 5.21 C ATOM 33 O ILE A 3 21.805 15.008 12.675 1.00 12.31 O ATOM 34 CB ILE A 3 22.356 16.127 15.735 1.00 63.05 C ATOM 35 CG1 ILE A 3 21.765 16.920 16.902 1.00 42.33 C ATOM 36 CG2 ILE A 3 23.108 17.050 14.787 1.00 72.45 C ATOM 37 CD1 ILE A 3 22.810 17.483 17.841 1.00 75.55 C ATOM 0 H ILE A 3 20.993 13.650 16.146 1.00 5.35 H new ATOM 0 HA ILE A 3 20.535 16.100 14.581 1.00 73.41 H new ATOM 0 HB ILE A 3 23.060 15.398 16.136 1.00 63.05 H new ATOM 0 HG12 ILE A 3 21.164 17.739 16.507 1.00 42.33 H new ATOM 0 HG13 ILE A 3 21.092 16.274 17.466 1.00 42.33 H new ATOM 0 HG21 ILE A 3 23.891 17.575 15.335 1.00 72.45 H new ATOM 0 HG22 ILE A 3 23.557 16.462 13.986 1.00 72.45 H new ATOM 0 HG23 ILE A 3 22.416 17.775 14.360 1.00 72.45 H new ATOM 0 HD11 ILE A 3 22.319 18.033 18.644 1.00 75.55 H new ATOM 0 HD12 ILE A 3 23.396 16.667 18.265 1.00 75.55 H new ATOM 0 HD13 ILE A 3 23.469 18.155 17.291 1.00 75.55 H new ATOM 49 N ASP A 4 22.461 13.447 14.156 1.00 4.32 N ATOM 50 CA ASP A 4 23.092 12.601 13.150 1.00 21.43 C ATOM 51 C ASP A 4 22.399 11.244 13.070 1.00 25.34 C ATOM 52 O ASP A 4 21.350 11.035 13.680 1.00 61.11 O ATOM 53 CB ASP A 4 24.576 12.412 13.470 1.00 71.44 C ATOM 54 CG ASP A 4 24.798 11.688 14.783 1.00 11.44 C ATOM 55 OD1 ASP A 4 24.182 12.090 15.792 1.00 35.45 O ATOM 56 OD2 ASP A 4 25.589 10.722 14.803 1.00 73.22 O ATOM 0 H ASP A 4 22.520 13.086 15.108 1.00 4.32 H new ATOM 0 HA ASP A 4 22.997 13.095 12.183 1.00 21.43 H new ATOM 0 HB2 ASP A 4 25.050 11.851 12.665 1.00 71.44 H new ATOM 0 HB3 ASP A 4 25.063 13.386 13.509 1.00 71.44 H new ATOM 61 N ILE A 5 22.993 10.326 12.315 1.00 53.04 N ATOM 62 CA ILE A 5 22.433 8.990 12.155 1.00 35.22 C ATOM 63 C ILE A 5 21.094 9.038 11.426 1.00 10.24 C ATOM 64 O ILE A 5 20.366 10.028 11.506 1.00 50.42 O ATOM 65 CB ILE A 5 22.239 8.295 13.516 1.00 74.21 C ATOM 66 CG1 ILE A 5 23.502 8.432 14.368 1.00 50.10 C ATOM 67 CG2 ILE A 5 21.885 6.829 13.316 1.00 72.30 C ATOM 68 CD1 ILE A 5 24.744 7.884 13.700 1.00 34.45 C ATOM 0 H ILE A 5 23.862 10.483 11.805 1.00 53.04 H new ATOM 0 HA ILE A 5 23.146 8.418 11.562 1.00 35.22 H new ATOM 0 HB ILE A 5 21.415 8.779 14.041 1.00 74.21 H new ATOM 0 HG12 ILE A 5 23.660 9.485 14.603 1.00 50.10 H new ATOM 0 HG13 ILE A 5 23.350 7.914 15.315 1.00 50.10 H new ATOM 0 HG21 ILE A 5 21.751 6.351 14.287 1.00 72.30 H new ATOM 0 HG22 ILE A 5 20.961 6.753 12.743 1.00 72.30 H new ATOM 0 HG23 ILE A 5 22.689 6.331 12.775 1.00 72.30 H new ATOM 0 HD11 ILE A 5 25.601 8.015 14.361 1.00 34.45 H new ATOM 0 HD12 ILE A 5 24.606 6.823 13.490 1.00 34.45 H new ATOM 0 HD13 ILE A 5 24.921 8.419 12.767 1.00 34.45 H new ATOM 80 N THR A 6 20.773 7.961 10.717 1.00 64.25 N ATOM 81 CA THR A 6 19.522 7.879 9.974 1.00 41.32 C ATOM 82 C THR A 6 19.399 9.026 8.977 1.00 72.12 C ATOM 83 O THR A 6 18.294 9.451 8.638 1.00 64.04 O ATOM 84 CB THR A 6 18.306 7.902 10.918 1.00 14.44 C ATOM 85 OG1 THR A 6 18.605 7.183 12.120 1.00 13.30 O ATOM 86 CG2 THR A 6 17.086 7.291 10.245 1.00 22.44 C ATOM 0 H THR A 6 21.363 7.132 10.642 1.00 64.25 H new ATOM 0 HA THR A 6 19.536 6.932 9.435 1.00 41.32 H new ATOM 0 HB THR A 6 18.084 8.941 11.163 1.00 14.44 H new ATOM 0 HG1 THR A 6 17.827 7.204 12.716 1.00 13.30 H new ATOM 0 HG21 THR A 6 16.240 7.319 10.931 1.00 22.44 H new ATOM 0 HG22 THR A 6 16.843 7.859 9.347 1.00 22.44 H new ATOM 0 HG23 THR A 6 17.300 6.257 9.974 1.00 22.44 H new ATOM 94 N VAL A 7 20.540 9.523 8.509 1.00 33.15 N ATOM 95 CA VAL A 7 20.559 10.620 7.549 1.00 22.21 C ATOM 96 C VAL A 7 20.717 10.100 6.125 1.00 52.34 C ATOM 97 O VAL A 7 21.276 9.026 5.903 1.00 54.01 O ATOM 98 CB VAL A 7 21.699 11.610 7.852 1.00 42.43 C ATOM 99 CG1 VAL A 7 21.582 12.142 9.272 1.00 21.11 C ATOM 100 CG2 VAL A 7 23.051 10.950 7.631 1.00 64.43 C ATOM 0 H VAL A 7 21.463 9.183 8.779 1.00 33.15 H new ATOM 0 HA VAL A 7 19.604 11.138 7.640 1.00 22.21 H new ATOM 0 HB VAL A 7 21.616 12.453 7.166 1.00 42.43 H new ATOM 0 HG11 VAL A 7 22.396 12.840 9.467 1.00 21.11 H new ATOM 0 HG12 VAL A 7 20.628 12.655 9.391 1.00 21.11 H new ATOM 0 HG13 VAL A 7 21.638 11.313 9.977 1.00 21.11 H new ATOM 0 HG21 VAL A 7 23.845 11.664 7.850 1.00 64.43 H new ATOM 0 HG22 VAL A 7 23.147 10.088 8.291 1.00 64.43 H new ATOM 0 HG23 VAL A 7 23.132 10.624 6.594 1.00 64.43 H new ATOM 110 N SER A 8 20.221 10.870 5.161 1.00 11.44 N ATOM 111 CA SER A 8 20.304 10.487 3.757 1.00 34.50 C ATOM 112 C SER A 8 19.737 11.583 2.860 1.00 61.11 C ATOM 113 O SER A 8 20.425 12.094 1.977 1.00 54.15 O ATOM 114 CB SER A 8 19.549 9.177 3.519 1.00 25.22 C ATOM 115 OG SER A 8 20.440 8.132 3.166 1.00 10.45 O ATOM 0 H SER A 8 19.757 11.763 5.327 1.00 11.44 H new ATOM 0 HA SER A 8 21.355 10.344 3.506 1.00 34.50 H new ATOM 0 HB2 SER A 8 18.999 8.902 4.419 1.00 25.22 H new ATOM 0 HB3 SER A 8 18.814 9.316 2.726 1.00 25.22 H new ATOM 0 HG SER A 8 21.088 7.997 3.888 1.00 10.45 H new ATOM 121 N ALA A 9 18.478 11.939 3.094 1.00 22.41 N ATOM 122 CA ALA A 9 17.819 12.975 2.310 1.00 52.14 C ATOM 123 C ALA A 9 17.062 13.946 3.209 1.00 10.51 C ATOM 124 O ALA A 9 15.845 13.847 3.360 1.00 53.51 O ATOM 125 CB ALA A 9 16.875 12.348 1.294 1.00 12.33 C ATOM 0 H ALA A 9 17.894 11.525 3.821 1.00 22.41 H new ATOM 0 HA ALA A 9 18.587 13.537 1.778 1.00 52.14 H new ATOM 0 HB1 ALA A 9 16.389 13.134 0.715 1.00 12.33 H new ATOM 0 HB2 ALA A 9 17.440 11.700 0.624 1.00 12.33 H new ATOM 0 HB3 ALA A 9 16.119 11.761 1.814 1.00 12.33 H new ATOM 131 N ALA A 10 17.791 14.884 3.805 1.00 10.32 N ATOM 132 CA ALA A 10 17.188 15.874 4.689 1.00 52.12 C ATOM 133 C ALA A 10 16.257 16.803 3.918 1.00 55.43 C ATOM 134 O ALA A 10 16.707 17.721 3.231 1.00 54.21 O ATOM 135 CB ALA A 10 18.268 16.677 5.398 1.00 24.53 C ATOM 0 H ALA A 10 18.800 14.979 3.692 1.00 10.32 H new ATOM 0 HA ALA A 10 16.595 15.345 5.435 1.00 52.12 H new ATOM 0 HB1 ALA A 10 17.803 17.412 6.055 1.00 24.53 H new ATOM 0 HB2 ALA A 10 18.892 16.006 5.989 1.00 24.53 H new ATOM 0 HB3 ALA A 10 18.885 17.189 4.659 1.00 24.53 H new ATOM 141 N THR A 11 14.955 16.560 4.035 1.00 72.34 N ATOM 142 CA THR A 11 13.960 17.373 3.347 1.00 2.40 C ATOM 143 C THR A 11 13.327 18.385 4.295 1.00 2.50 C ATOM 144 O THR A 11 12.890 19.457 3.874 1.00 43.43 O ATOM 145 CB THR A 11 12.851 16.501 2.730 1.00 55.43 C ATOM 146 OG1 THR A 11 11.955 17.317 1.966 1.00 72.21 O ATOM 147 CG2 THR A 11 12.076 15.765 3.812 1.00 30.20 C ATOM 0 H THR A 11 14.565 15.806 4.600 1.00 72.34 H new ATOM 0 HA THR A 11 14.481 17.903 2.549 1.00 2.40 H new ATOM 0 HB THR A 11 13.319 15.765 2.077 1.00 55.43 H new ATOM 0 HG1 THR A 11 11.253 16.755 1.576 1.00 72.21 H new ATOM 0 HG21 THR A 11 11.298 15.156 3.352 1.00 30.20 H new ATOM 0 HG22 THR A 11 12.755 15.123 4.373 1.00 30.20 H new ATOM 0 HG23 THR A 11 11.619 16.488 4.487 1.00 30.20 H new ATOM 155 N LEU A 12 13.281 18.040 5.577 1.00 60.22 N ATOM 156 CA LEU A 12 12.702 18.920 6.586 1.00 35.51 C ATOM 157 C LEU A 12 13.516 20.202 6.723 1.00 21.22 C ATOM 158 O LEU A 12 14.697 20.165 7.069 1.00 31.11 O ATOM 159 CB LEU A 12 12.628 18.202 7.935 1.00 71.21 C ATOM 160 CG LEU A 12 11.441 17.258 8.129 1.00 32.11 C ATOM 161 CD1 LEU A 12 10.129 18.012 7.980 1.00 52.43 C ATOM 162 CD2 LEU A 12 11.510 16.104 7.140 1.00 71.41 C ATOM 0 H LEU A 12 13.638 17.157 5.942 1.00 60.22 H new ATOM 0 HA LEU A 12 11.694 19.185 6.266 1.00 35.51 H new ATOM 0 HB2 LEU A 12 13.546 17.631 8.071 1.00 71.21 H new ATOM 0 HB3 LEU A 12 12.601 18.954 8.723 1.00 71.21 H new ATOM 0 HG LEU A 12 11.488 16.849 9.138 1.00 32.11 H new ATOM 0 HD11 LEU A 12 9.296 17.324 8.121 1.00 52.43 H new ATOM 0 HD12 LEU A 12 10.077 18.803 8.728 1.00 52.43 H new ATOM 0 HD13 LEU A 12 10.072 18.450 6.984 1.00 52.43 H new ATOM 0 HD21 LEU A 12 10.657 15.442 7.293 1.00 71.41 H new ATOM 0 HD22 LEU A 12 11.488 16.495 6.123 1.00 71.41 H new ATOM 0 HD23 LEU A 12 12.434 15.547 7.295 1.00 71.41 H new ATOM 174 N SER A 13 12.877 21.335 6.452 1.00 74.04 N ATOM 175 CA SER A 13 13.542 22.629 6.543 1.00 2.22 C ATOM 176 C SER A 13 12.983 23.447 7.703 1.00 33.03 C ATOM 177 O SER A 13 13.733 24.032 8.484 1.00 45.23 O ATOM 178 CB SER A 13 13.380 23.403 5.234 1.00 42.44 C ATOM 179 OG SER A 13 13.493 24.799 5.449 1.00 1.53 O ATOM 0 H SER A 13 11.899 21.383 6.167 1.00 74.04 H new ATOM 0 HA SER A 13 14.602 22.452 6.723 1.00 2.22 H new ATOM 0 HB2 SER A 13 14.138 23.079 4.521 1.00 42.44 H new ATOM 0 HB3 SER A 13 12.409 23.177 4.792 1.00 42.44 H new ATOM 0 HG SER A 13 13.387 25.271 4.597 1.00 1.53 H new ATOM 185 N SER A 14 11.658 23.482 7.809 1.00 2.44 N ATOM 186 CA SER A 14 10.996 24.231 8.871 1.00 2.23 C ATOM 187 C SER A 14 9.711 23.534 9.307 1.00 10.34 C ATOM 188 O SER A 14 9.048 22.874 8.507 1.00 54.40 O ATOM 189 CB SER A 14 10.685 25.654 8.403 1.00 33.01 C ATOM 190 OG SER A 14 9.590 26.199 9.120 1.00 24.30 O ATOM 0 H SER A 14 11.022 23.001 7.173 1.00 2.44 H new ATOM 0 HA SER A 14 11.672 24.277 9.725 1.00 2.23 H new ATOM 0 HB2 SER A 14 11.563 26.285 8.539 1.00 33.01 H new ATOM 0 HB3 SER A 14 10.459 25.648 7.337 1.00 33.01 H new ATOM 0 HG SER A 14 9.412 27.109 8.804 1.00 24.30 H new ATOM 196 N ILE A 15 9.366 23.686 10.582 1.00 43.13 N ATOM 197 CA ILE A 15 8.161 23.073 11.125 1.00 73.13 C ATOM 198 C ILE A 15 7.437 24.026 12.070 1.00 61.11 C ATOM 199 O ILE A 15 8.060 24.868 12.716 1.00 25.00 O ATOM 200 CB ILE A 15 8.482 21.768 11.877 1.00 65.14 C ATOM 201 CG1 ILE A 15 9.351 20.855 11.009 1.00 21.31 C ATOM 202 CG2 ILE A 15 7.198 21.059 12.281 1.00 44.02 C ATOM 203 CD1 ILE A 15 8.638 20.329 9.783 1.00 21.20 C ATOM 0 H ILE A 15 9.904 24.228 11.257 1.00 43.13 H new ATOM 0 HA ILE A 15 7.515 22.844 10.278 1.00 73.13 H new ATOM 0 HB ILE A 15 9.037 22.015 12.782 1.00 65.14 H new ATOM 0 HG12 ILE A 15 10.239 21.403 10.695 1.00 21.31 H new ATOM 0 HG13 ILE A 15 9.692 20.012 11.610 1.00 21.31 H new ATOM 0 HG21 ILE A 15 7.442 20.139 12.811 1.00 44.02 H new ATOM 0 HG22 ILE A 15 6.613 21.709 12.932 1.00 44.02 H new ATOM 0 HG23 ILE A 15 6.618 20.821 11.389 1.00 44.02 H new ATOM 0 HD11 ILE A 15 9.314 19.690 9.215 1.00 21.20 H new ATOM 0 HD12 ILE A 15 7.765 19.753 10.089 1.00 21.20 H new ATOM 0 HD13 ILE A 15 8.321 21.165 9.160 1.00 21.20 H new ATOM 215 N SER A 16 6.118 23.886 12.147 1.00 75.20 N ATOM 216 CA SER A 16 5.308 24.736 13.012 1.00 32.42 C ATOM 217 C SER A 16 4.441 23.894 13.943 1.00 32.43 C ATOM 218 O SER A 16 3.830 22.911 13.521 1.00 42.20 O ATOM 219 CB SER A 16 4.425 25.661 12.172 1.00 31.43 C ATOM 220 OG SER A 16 4.966 26.969 12.116 1.00 13.21 O ATOM 0 H SER A 16 5.587 23.192 11.621 1.00 75.20 H new ATOM 0 HA SER A 16 5.981 25.341 13.619 1.00 32.42 H new ATOM 0 HB2 SER A 16 4.329 25.260 11.163 1.00 31.43 H new ATOM 0 HB3 SER A 16 3.422 25.697 12.597 1.00 31.43 H new ATOM 0 HG SER A 16 4.385 27.540 11.572 1.00 13.21 H new ATOM 226 N ILE A 17 4.392 24.286 15.212 1.00 63.21 N ATOM 227 CA ILE A 17 3.600 23.569 16.203 1.00 71.31 C ATOM 228 C ILE A 17 2.661 24.514 16.945 1.00 71.03 C ATOM 229 O ILE A 17 3.014 25.658 17.232 1.00 24.50 O ATOM 230 CB ILE A 17 4.497 22.847 17.226 1.00 71.01 C ATOM 231 CG1 ILE A 17 3.679 21.833 18.028 1.00 31.12 C ATOM 232 CG2 ILE A 17 5.159 23.855 18.154 1.00 72.41 C ATOM 233 CD1 ILE A 17 4.461 21.170 19.140 1.00 64.51 C ATOM 0 H ILE A 17 4.892 25.097 15.578 1.00 63.21 H new ATOM 0 HA ILE A 17 3.012 22.828 15.661 1.00 71.31 H new ATOM 0 HB ILE A 17 5.278 22.310 16.688 1.00 71.01 H new ATOM 0 HG12 ILE A 17 2.811 22.335 18.455 1.00 31.12 H new ATOM 0 HG13 ILE A 17 3.303 21.065 17.352 1.00 31.12 H new ATOM 0 HG21 ILE A 17 5.790 23.330 18.871 1.00 72.41 H new ATOM 0 HG22 ILE A 17 5.770 24.542 17.569 1.00 72.41 H new ATOM 0 HG23 ILE A 17 4.392 24.416 18.688 1.00 72.41 H new ATOM 0 HD11 ILE A 17 3.818 20.464 19.666 1.00 64.51 H new ATOM 0 HD12 ILE A 17 5.314 20.639 18.718 1.00 64.51 H new ATOM 0 HD13 ILE A 17 4.815 21.928 19.838 1.00 64.51 H new ATOM 245 N SER A 18 1.463 24.028 17.253 1.00 20.35 N ATOM 246 CA SER A 18 0.472 24.830 17.961 1.00 75.34 C ATOM 247 C SER A 18 -0.096 24.065 19.153 1.00 43.13 C ATOM 248 O SER A 18 -1.235 23.599 19.139 1.00 52.12 O ATOM 249 CB SER A 18 -0.660 25.232 17.013 1.00 72.22 C ATOM 250 OG SER A 18 -0.261 26.293 16.163 1.00 62.01 O ATOM 0 H SER A 18 1.155 23.083 17.023 1.00 20.35 H new ATOM 0 HA SER A 18 0.965 25.729 18.330 1.00 75.34 H new ATOM 0 HB2 SER A 18 -0.958 24.373 16.412 1.00 72.22 H new ATOM 0 HB3 SER A 18 -1.533 25.534 17.592 1.00 72.22 H new ATOM 0 HG SER A 18 -1.001 26.530 15.566 1.00 62.01 H new ATOM 256 N PRO A 19 0.718 23.932 20.211 1.00 51.23 N ATOM 257 CA PRO A 19 0.320 23.225 21.432 1.00 52.43 C ATOM 258 C PRO A 19 -0.743 23.984 22.220 1.00 24.42 C ATOM 259 O PRO A 19 -0.930 25.186 22.029 1.00 34.44 O ATOM 260 CB PRO A 19 1.621 23.140 22.233 1.00 43.51 C ATOM 261 CG PRO A 19 2.440 24.287 21.748 1.00 12.15 C ATOM 262 CD PRO A 19 2.089 24.462 20.297 1.00 41.23 C ATOM 0 HA PRO A 19 -0.126 22.255 21.215 1.00 52.43 H new ATOM 0 HB2 PRO A 19 1.432 23.213 23.304 1.00 43.51 H new ATOM 0 HB3 PRO A 19 2.129 22.191 22.063 1.00 43.51 H new ATOM 0 HG2 PRO A 19 2.219 25.191 22.315 1.00 12.15 H new ATOM 0 HG3 PRO A 19 3.504 24.086 21.871 1.00 12.15 H new ATOM 0 HD2 PRO A 19 2.135 25.509 19.996 1.00 41.23 H new ATOM 0 HD3 PRO A 19 2.773 23.914 19.649 1.00 41.23 H new ATOM 270 N ILE A 20 -1.434 23.274 23.106 1.00 41.50 N ATOM 271 CA ILE A 20 -2.476 23.882 23.924 1.00 31.01 C ATOM 272 C ILE A 20 -2.380 23.415 25.373 1.00 41.24 C ATOM 273 O ILE A 20 -2.371 22.217 25.650 1.00 63.33 O ATOM 274 CB ILE A 20 -3.880 23.553 23.383 1.00 40.42 C ATOM 275 CG1 ILE A 20 -4.952 24.226 24.242 1.00 12.22 C ATOM 276 CG2 ILE A 20 -4.093 22.048 23.343 1.00 32.51 C ATOM 277 CD1 ILE A 20 -6.364 23.950 23.773 1.00 24.15 C ATOM 0 H ILE A 20 -1.291 22.278 23.275 1.00 41.50 H new ATOM 0 HA ILE A 20 -2.322 24.960 23.881 1.00 31.01 H new ATOM 0 HB ILE A 20 -3.961 23.938 22.367 1.00 40.42 H new ATOM 0 HG12 ILE A 20 -4.847 23.886 25.272 1.00 12.22 H new ATOM 0 HG13 ILE A 20 -4.782 25.303 24.243 1.00 12.22 H new ATOM 0 HG21 ILE A 20 -5.090 21.832 22.958 1.00 32.51 H new ATOM 0 HG22 ILE A 20 -3.346 21.592 22.693 1.00 32.51 H new ATOM 0 HG23 ILE A 20 -3.996 21.640 24.349 1.00 32.51 H new ATOM 0 HD11 ILE A 20 -7.071 24.458 24.428 1.00 24.15 H new ATOM 0 HD12 ILE A 20 -6.487 24.316 22.754 1.00 24.15 H new ATOM 0 HD13 ILE A 20 -6.553 22.877 23.799 1.00 24.15 H new ATOM 289 N ASN A 21 -2.310 24.371 26.293 1.00 12.33 N ATOM 290 CA ASN A 21 -2.216 24.058 27.715 1.00 52.24 C ATOM 291 C ASN A 21 -3.599 24.036 28.359 1.00 2.14 C ATOM 292 O ASN A 21 -4.160 25.082 28.688 1.00 73.30 O ATOM 293 CB ASN A 21 -1.326 25.080 28.425 1.00 30.23 C ATOM 294 CG ASN A 21 -0.163 25.532 27.563 1.00 21.35 C ATOM 295 OD1 ASN A 21 0.096 26.728 27.429 1.00 65.40 O ATOM 296 ND2 ASN A 21 0.544 24.574 26.975 1.00 51.25 N ATOM 0 H ASN A 21 -2.317 25.369 26.080 1.00 12.33 H new ATOM 0 HA ASN A 21 -1.772 23.068 27.816 1.00 52.24 H new ATOM 0 HB2 ASN A 21 -1.925 25.946 28.706 1.00 30.23 H new ATOM 0 HB3 ASN A 21 -0.943 24.645 29.348 1.00 30.23 H new ATOM 0 HD21 ASN A 21 1.339 24.817 26.383 1.00 51.25 H new ATOM 0 HD22 ASN A 21 0.292 23.595 27.115 1.00 51.25 H new ATOM 303 N THR A 22 -4.143 22.836 28.539 1.00 52.45 N ATOM 304 CA THR A 22 -5.460 22.677 29.143 1.00 4.12 C ATOM 305 C THR A 22 -5.432 21.633 30.253 1.00 30.41 C ATOM 306 O THR A 22 -4.546 20.780 30.294 1.00 2.53 O ATOM 307 CB THR A 22 -6.513 22.269 28.096 1.00 11.31 C ATOM 308 OG1 THR A 22 -6.121 22.734 26.800 1.00 41.33 O ATOM 309 CG2 THR A 22 -7.879 22.837 28.453 1.00 45.55 C ATOM 0 H THR A 22 -3.692 21.960 28.275 1.00 52.45 H new ATOM 0 HA THR A 22 -5.734 23.644 29.564 1.00 4.12 H new ATOM 0 HB THR A 22 -6.581 21.181 28.086 1.00 11.31 H new ATOM 0 HG1 THR A 22 -6.389 23.670 26.693 1.00 41.33 H new ATOM 0 HG21 THR A 22 -8.607 22.536 27.699 1.00 45.55 H new ATOM 0 HG22 THR A 22 -8.187 22.458 29.427 1.00 45.55 H new ATOM 0 HG23 THR A 22 -7.823 23.925 28.489 1.00 45.55 H new ATOM 317 N ASN A 23 -6.409 21.704 31.151 1.00 11.43 N ATOM 318 CA ASN A 23 -6.496 20.764 32.262 1.00 34.25 C ATOM 319 C ASN A 23 -7.790 19.958 32.193 1.00 13.51 C ATOM 320 O ASN A 23 -8.863 20.508 31.940 1.00 3.52 O ATOM 321 CB ASN A 23 -6.417 21.509 33.596 1.00 14.33 C ATOM 322 CG ASN A 23 -5.518 22.728 33.525 1.00 54.52 C ATOM 323 OD1 ASN A 23 -5.877 23.806 34.000 1.00 43.33 O ATOM 324 ND2 ASN A 23 -4.343 22.563 32.929 1.00 73.21 N ATOM 0 H ASN A 23 -7.152 22.403 31.131 1.00 11.43 H new ATOM 0 HA ASN A 23 -5.655 20.075 32.188 1.00 34.25 H new ATOM 0 HB2 ASN A 23 -7.418 21.817 33.897 1.00 14.33 H new ATOM 0 HB3 ASN A 23 -6.046 20.832 34.366 1.00 14.33 H new ATOM 0 HD21 ASN A 23 -3.696 23.348 32.851 1.00 73.21 H new ATOM 0 HD22 ASN A 23 -4.087 21.651 32.550 1.00 73.21 H new ATOM 331 N ILE A 24 -7.682 18.654 32.420 1.00 65.23 N ATOM 332 CA ILE A 24 -8.843 17.773 32.385 1.00 43.44 C ATOM 333 C ILE A 24 -8.765 16.717 33.482 1.00 51.22 C ATOM 334 O ILE A 24 -7.681 16.374 33.951 1.00 71.30 O ATOM 335 CB ILE A 24 -8.976 17.071 31.020 1.00 1.43 C ATOM 336 CG1 ILE A 24 -8.801 18.081 29.884 1.00 74.33 C ATOM 337 CG2 ILE A 24 -10.323 16.373 30.913 1.00 32.35 C ATOM 338 CD1 ILE A 24 -9.957 19.048 29.752 1.00 70.34 C ATOM 0 H ILE A 24 -6.802 18.183 32.630 1.00 65.23 H new ATOM 0 HA ILE A 24 -9.720 18.399 32.549 1.00 43.44 H new ATOM 0 HB ILE A 24 -8.192 16.319 30.936 1.00 1.43 H new ATOM 0 HG12 ILE A 24 -7.883 18.645 30.048 1.00 74.33 H new ATOM 0 HG13 ILE A 24 -8.680 17.542 28.945 1.00 74.33 H new ATOM 0 HG21 ILE A 24 -10.402 15.882 29.943 1.00 32.35 H new ATOM 0 HG22 ILE A 24 -10.411 15.629 31.705 1.00 32.35 H new ATOM 0 HG23 ILE A 24 -11.122 17.107 31.014 1.00 32.35 H new ATOM 0 HD11 ILE A 24 -9.765 19.734 28.927 1.00 70.34 H new ATOM 0 HD12 ILE A 24 -10.875 18.493 29.556 1.00 70.34 H new ATOM 0 HD13 ILE A 24 -10.065 19.614 30.677 1.00 70.34 H new ATOM 350 N ASN A 25 -9.923 16.205 33.885 1.00 72.50 N ATOM 351 CA ASN A 25 -9.987 15.186 34.927 1.00 63.45 C ATOM 352 C ASN A 25 -10.770 13.967 34.448 1.00 24.31 C ATOM 353 O ASN A 25 -11.472 14.023 33.438 1.00 20.40 O ATOM 354 CB ASN A 25 -10.633 15.758 36.190 1.00 74.53 C ATOM 355 CG ASN A 25 -10.632 14.768 37.339 1.00 71.23 C ATOM 356 OD1 ASN A 25 -11.635 14.607 38.035 1.00 64.41 O ATOM 357 ND2 ASN A 25 -9.503 14.099 37.542 1.00 1.44 N ATOM 0 H ASN A 25 -10.830 16.479 33.506 1.00 72.50 H new ATOM 0 HA ASN A 25 -8.969 14.874 35.158 1.00 63.45 H new ATOM 0 HB2 ASN A 25 -10.100 16.660 36.491 1.00 74.53 H new ATOM 0 HB3 ASN A 25 -11.659 16.053 35.969 1.00 74.53 H new ATOM 0 HD21 ASN A 25 -9.442 13.419 38.300 1.00 1.44 H new ATOM 0 HD22 ASN A 25 -8.697 14.265 36.940 1.00 1.44 H new ATOM 364 N THR A 26 -10.644 12.865 35.181 1.00 34.40 N ATOM 365 CA THR A 26 -11.339 11.632 34.832 1.00 30.32 C ATOM 366 C THR A 26 -10.680 10.948 33.640 1.00 22.31 C ATOM 367 O THR A 26 -11.332 10.225 32.886 1.00 34.22 O ATOM 368 CB THR A 26 -12.821 11.895 34.504 1.00 43.43 C ATOM 369 OG1 THR A 26 -13.315 12.975 35.304 1.00 34.31 O ATOM 370 CG2 THR A 26 -13.659 10.650 34.749 1.00 71.14 C ATOM 0 H THR A 26 -10.067 12.801 36.020 1.00 34.40 H new ATOM 0 HA THR A 26 -11.278 10.978 35.702 1.00 30.32 H new ATOM 0 HB THR A 26 -12.896 12.161 33.450 1.00 43.43 H new ATOM 0 HG1 THR A 26 -14.257 13.137 35.089 1.00 34.31 H new ATOM 0 HG21 THR A 26 -14.702 10.860 34.510 1.00 71.14 H new ATOM 0 HG22 THR A 26 -13.299 9.839 34.117 1.00 71.14 H new ATOM 0 HG23 THR A 26 -13.578 10.357 35.796 1.00 71.14 H new ATOM 378 N THR A 27 -9.381 11.179 33.474 1.00 12.32 N ATOM 379 CA THR A 27 -8.634 10.586 32.373 1.00 25.31 C ATOM 380 C THR A 27 -9.177 11.050 31.026 1.00 24.34 C ATOM 381 O THR A 27 -10.254 10.631 30.602 1.00 24.42 O ATOM 382 CB THR A 27 -8.678 9.047 32.429 1.00 22.00 C ATOM 383 OG1 THR A 27 -9.139 8.617 33.714 1.00 34.44 O ATOM 384 CG2 THR A 27 -7.303 8.456 32.154 1.00 34.31 C ATOM 0 H THR A 27 -8.825 11.773 34.089 1.00 12.32 H new ATOM 0 HA THR A 27 -7.601 10.917 32.478 1.00 25.31 H new ATOM 0 HB THR A 27 -9.367 8.697 31.660 1.00 22.00 H new ATOM 0 HG1 THR A 27 -9.166 7.638 33.741 1.00 34.44 H new ATOM 0 HG21 THR A 27 -7.359 7.368 32.199 1.00 34.31 H new ATOM 0 HG22 THR A 27 -6.967 8.762 31.163 1.00 34.31 H new ATOM 0 HG23 THR A 27 -6.597 8.814 32.903 1.00 34.31 H new ATOM 392 N VAL A 28 -8.424 11.917 30.357 1.00 0.32 N ATOM 393 CA VAL A 28 -8.829 12.437 29.057 1.00 54.13 C ATOM 394 C VAL A 28 -7.616 12.779 28.199 1.00 12.32 C ATOM 395 O VAL A 28 -6.584 13.214 28.711 1.00 54.24 O ATOM 396 CB VAL A 28 -9.711 13.692 29.204 1.00 62.34 C ATOM 397 CG1 VAL A 28 -10.104 14.231 27.837 1.00 53.11 C ATOM 398 CG2 VAL A 28 -10.944 13.381 30.039 1.00 41.14 C ATOM 0 H VAL A 28 -7.530 12.274 30.694 1.00 0.32 H new ATOM 0 HA VAL A 28 -9.406 11.652 28.568 1.00 54.13 H new ATOM 0 HB VAL A 28 -9.136 14.461 29.719 1.00 62.34 H new ATOM 0 HG11 VAL A 28 -10.727 15.117 27.961 1.00 53.11 H new ATOM 0 HG12 VAL A 28 -9.206 14.493 27.278 1.00 53.11 H new ATOM 0 HG13 VAL A 28 -10.661 13.469 27.292 1.00 53.11 H new ATOM 0 HG21 VAL A 28 -11.556 14.278 30.133 1.00 41.14 H new ATOM 0 HG22 VAL A 28 -11.524 12.596 29.554 1.00 41.14 H new ATOM 0 HG23 VAL A 28 -10.637 13.046 31.030 1.00 41.14 H new ATOM 408 N SER A 29 -7.748 12.580 26.892 1.00 44.45 N ATOM 409 CA SER A 29 -6.661 12.865 25.962 1.00 24.21 C ATOM 410 C SER A 29 -6.717 14.314 25.488 1.00 64.23 C ATOM 411 O SER A 29 -7.794 14.863 25.255 1.00 20.53 O ATOM 412 CB SER A 29 -6.728 11.920 24.761 1.00 52.03 C ATOM 413 OG SER A 29 -7.995 11.291 24.678 1.00 71.54 O ATOM 0 H SER A 29 -8.596 12.223 26.453 1.00 44.45 H new ATOM 0 HA SER A 29 -5.718 12.709 26.485 1.00 24.21 H new ATOM 0 HB2 SER A 29 -6.534 12.477 23.844 1.00 52.03 H new ATOM 0 HB3 SER A 29 -5.948 11.164 24.845 1.00 52.03 H new ATOM 0 HG SER A 29 -8.684 11.965 24.502 1.00 71.54 H new ATOM 419 N LYS A 30 -5.547 14.929 25.346 1.00 34.11 N ATOM 420 CA LYS A 30 -5.460 16.314 24.898 1.00 31.24 C ATOM 421 C LYS A 30 -5.161 16.385 23.404 1.00 32.14 C ATOM 422 O LYS A 30 -4.140 15.877 22.942 1.00 2.34 O ATOM 423 CB LYS A 30 -4.376 17.057 25.682 1.00 11.31 C ATOM 424 CG LYS A 30 -4.924 17.945 26.786 1.00 53.22 C ATOM 425 CD LYS A 30 -5.824 19.036 26.229 1.00 30.31 C ATOM 426 CE LYS A 30 -7.281 18.797 26.595 1.00 1.34 C ATOM 427 NZ LYS A 30 -8.209 19.363 25.577 1.00 24.10 N ATOM 0 H LYS A 30 -4.646 14.490 25.535 1.00 34.11 H new ATOM 0 HA LYS A 30 -6.423 16.790 25.080 1.00 31.24 H new ATOM 0 HB2 LYS A 30 -3.692 16.329 26.119 1.00 11.31 H new ATOM 0 HB3 LYS A 30 -3.794 17.667 24.992 1.00 11.31 H new ATOM 0 HG2 LYS A 30 -5.484 17.338 27.498 1.00 53.22 H new ATOM 0 HG3 LYS A 30 -4.098 18.398 27.334 1.00 53.22 H new ATOM 0 HD2 LYS A 30 -5.505 20.004 26.614 1.00 30.31 H new ATOM 0 HD3 LYS A 30 -5.722 19.075 25.145 1.00 30.31 H new ATOM 0 HE2 LYS A 30 -7.460 17.726 26.694 1.00 1.34 H new ATOM 0 HE3 LYS A 30 -7.490 19.246 27.566 1.00 1.34 H new ATOM 0 HZ1 LYS A 30 -9.192 19.179 25.863 1.00 24.10 H new ATOM 0 HZ2 LYS A 30 -8.057 20.389 25.501 1.00 24.10 H new ATOM 0 HZ3 LYS A 30 -8.027 18.917 24.655 1.00 24.10 H new ATOM 441 N GLN A 31 -6.058 17.019 22.656 1.00 70.44 N ATOM 442 CA GLN A 31 -5.889 17.156 21.214 1.00 45.11 C ATOM 443 C GLN A 31 -4.935 18.300 20.884 1.00 11.05 C ATOM 444 O GLN A 31 -5.214 19.461 21.186 1.00 21.43 O ATOM 445 CB GLN A 31 -7.241 17.394 20.540 1.00 32.15 C ATOM 446 CG GLN A 31 -7.144 17.603 19.038 1.00 54.21 C ATOM 447 CD GLN A 31 -6.868 16.316 18.286 1.00 3.30 C ATOM 448 OE1 GLN A 31 -7.744 15.779 17.608 1.00 50.20 O ATOM 449 NE2 GLN A 31 -5.644 15.814 18.402 1.00 41.00 N ATOM 0 H GLN A 31 -6.908 17.446 23.024 1.00 70.44 H new ATOM 0 HA GLN A 31 -5.461 16.228 20.835 1.00 45.11 H new ATOM 0 HB2 GLN A 31 -7.891 16.542 20.739 1.00 32.15 H new ATOM 0 HB3 GLN A 31 -7.713 18.267 20.990 1.00 32.15 H new ATOM 0 HG2 GLN A 31 -8.075 18.039 18.675 1.00 54.21 H new ATOM 0 HG3 GLN A 31 -6.352 18.321 18.825 1.00 54.21 H new ATOM 0 HE21 GLN A 31 -4.949 16.292 18.975 1.00 41.00 H new ATOM 0 HE22 GLN A 31 -5.399 14.950 17.918 1.00 41.00 H new ATOM 458 N PHE A 32 -3.809 17.965 20.264 1.00 62.11 N ATOM 459 CA PHE A 32 -2.813 18.964 19.895 1.00 40.14 C ATOM 460 C PHE A 32 -2.747 19.132 18.379 1.00 13.34 C ATOM 461 O PHE A 32 -3.264 18.305 17.629 1.00 70.44 O ATOM 462 CB PHE A 32 -1.437 18.568 20.435 1.00 14.12 C ATOM 463 CG PHE A 32 -1.390 18.460 21.933 1.00 73.25 C ATOM 464 CD1 PHE A 32 -2.043 19.388 22.728 1.00 23.23 C ATOM 465 CD2 PHE A 32 -0.694 17.430 22.544 1.00 32.13 C ATOM 466 CE1 PHE A 32 -2.000 19.291 24.106 1.00 31.23 C ATOM 467 CE2 PHE A 32 -0.648 17.328 23.922 1.00 35.50 C ATOM 468 CZ PHE A 32 -1.303 18.259 24.704 1.00 73.21 C ATOM 0 H PHE A 32 -3.563 17.009 20.006 1.00 62.11 H new ATOM 0 HA PHE A 32 -3.109 19.916 20.337 1.00 40.14 H new ATOM 0 HB2 PHE A 32 -1.146 17.612 20.000 1.00 14.12 H new ATOM 0 HB3 PHE A 32 -0.702 19.303 20.108 1.00 14.12 H new ATOM 0 HD1 PHE A 32 -2.591 20.196 22.266 1.00 23.23 H new ATOM 0 HD2 PHE A 32 -0.181 16.698 21.937 1.00 32.13 H new ATOM 0 HE1 PHE A 32 -2.511 20.022 24.715 1.00 31.23 H new ATOM 0 HE2 PHE A 32 -0.100 16.521 24.386 1.00 35.50 H new ATOM 0 HZ PHE A 32 -1.270 18.180 25.781 1.00 73.21 H new ATOM 478 N PHE A 33 -2.108 20.210 17.937 1.00 54.30 N ATOM 479 CA PHE A 33 -1.976 20.489 16.512 1.00 42.22 C ATOM 480 C PHE A 33 -0.509 20.491 16.092 1.00 22.11 C ATOM 481 O PHE A 33 0.348 21.026 16.795 1.00 62.22 O ATOM 482 CB PHE A 33 -2.617 21.837 16.172 1.00 24.44 C ATOM 483 CG PHE A 33 -3.826 21.720 15.289 1.00 63.20 C ATOM 484 CD1 PHE A 33 -3.690 21.427 13.942 1.00 40.04 C ATOM 485 CD2 PHE A 33 -5.098 21.903 15.806 1.00 11.30 C ATOM 486 CE1 PHE A 33 -4.801 21.318 13.126 1.00 44.51 C ATOM 487 CE2 PHE A 33 -6.212 21.796 14.995 1.00 32.54 C ATOM 488 CZ PHE A 33 -6.063 21.504 13.653 1.00 13.05 C ATOM 0 H PHE A 33 -1.674 20.904 18.545 1.00 54.30 H new ATOM 0 HA PHE A 33 -2.492 19.701 15.964 1.00 42.22 H new ATOM 0 HB2 PHE A 33 -2.900 22.339 17.097 1.00 24.44 H new ATOM 0 HB3 PHE A 33 -1.877 22.468 15.680 1.00 24.44 H new ATOM 0 HD1 PHE A 33 -2.705 21.282 13.524 1.00 40.04 H new ATOM 0 HD2 PHE A 33 -5.221 22.132 16.854 1.00 11.30 H new ATOM 0 HE1 PHE A 33 -4.681 21.088 12.078 1.00 44.51 H new ATOM 0 HE2 PHE A 33 -7.198 21.941 15.410 1.00 32.54 H new ATOM 0 HZ PHE A 33 -6.932 21.421 13.017 1.00 13.05 H new ATOM 498 N ALA A 34 -0.228 19.888 14.942 1.00 60.43 N ATOM 499 CA ALA A 34 1.134 19.820 14.427 1.00 41.30 C ATOM 500 C ALA A 34 1.155 19.962 12.909 1.00 51.42 C ATOM 501 O ALA A 34 0.449 19.246 12.198 1.00 24.04 O ATOM 502 CB ALA A 34 1.793 18.514 14.846 1.00 54.22 C ATOM 0 H ALA A 34 -0.926 19.439 14.349 1.00 60.43 H new ATOM 0 HA ALA A 34 1.698 20.651 14.851 1.00 41.30 H new ATOM 0 HB1 ALA A 34 2.809 18.477 14.454 1.00 54.22 H new ATOM 0 HB2 ALA A 34 1.821 18.453 15.934 1.00 54.22 H new ATOM 0 HB3 ALA A 34 1.221 17.675 14.450 1.00 54.22 H new ATOM 508 N VAL A 35 1.968 20.892 12.417 1.00 12.11 N ATOM 509 CA VAL A 35 2.081 21.128 10.983 1.00 73.12 C ATOM 510 C VAL A 35 3.539 21.127 10.539 1.00 61.53 C ATOM 511 O VAL A 35 4.403 21.692 11.208 1.00 62.25 O ATOM 512 CB VAL A 35 1.435 22.467 10.582 1.00 54.34 C ATOM 513 CG1 VAL A 35 -0.064 22.436 10.841 1.00 40.15 C ATOM 514 CG2 VAL A 35 2.089 23.619 11.329 1.00 3.11 C ATOM 0 H VAL A 35 2.558 21.494 12.991 1.00 12.11 H new ATOM 0 HA VAL A 35 1.552 20.315 10.486 1.00 73.12 H new ATOM 0 HB VAL A 35 1.592 22.620 9.514 1.00 54.34 H new ATOM 0 HG11 VAL A 35 -0.503 23.391 10.552 1.00 40.15 H new ATOM 0 HG12 VAL A 35 -0.518 21.636 10.256 1.00 40.15 H new ATOM 0 HG13 VAL A 35 -0.247 22.259 11.901 1.00 40.15 H new ATOM 0 HG21 VAL A 35 1.620 24.557 11.033 1.00 3.11 H new ATOM 0 HG22 VAL A 35 1.965 23.474 12.402 1.00 3.11 H new ATOM 0 HG23 VAL A 35 3.151 23.653 11.088 1.00 3.11 H new ATOM 524 N GLY A 36 3.806 20.487 9.404 1.00 61.01 N ATOM 525 CA GLY A 36 5.161 20.424 8.889 1.00 44.11 C ATOM 526 C GLY A 36 5.287 21.041 7.510 1.00 11.11 C ATOM 527 O GLY A 36 4.423 20.848 6.653 1.00 25.24 O ATOM 0 H GLY A 36 3.108 20.011 8.832 1.00 61.01 H new ATOM 0 HA2 GLY A 36 5.832 20.939 9.577 1.00 44.11 H new ATOM 0 HA3 GLY A 36 5.483 19.383 8.849 1.00 44.11 H new ATOM 531 N THR A 37 6.365 21.788 7.294 1.00 40.35 N ATOM 532 CA THR A 37 6.599 22.438 6.010 1.00 3.33 C ATOM 533 C THR A 37 7.824 21.855 5.314 1.00 12.42 C ATOM 534 O THR A 37 8.929 21.882 5.856 1.00 43.34 O ATOM 535 CB THR A 37 6.792 23.957 6.177 1.00 42.40 C ATOM 536 OG1 THR A 37 6.989 24.278 7.559 1.00 64.44 O ATOM 537 CG2 THR A 37 5.588 24.718 5.642 1.00 61.31 C ATOM 0 H THR A 37 7.090 21.958 7.991 1.00 40.35 H new ATOM 0 HA THR A 37 5.716 22.256 5.398 1.00 3.33 H new ATOM 0 HB THR A 37 7.672 24.253 5.607 1.00 42.40 H new ATOM 0 HG1 THR A 37 7.774 23.798 7.898 1.00 64.44 H new ATOM 0 HG21 THR A 37 5.748 25.789 5.771 1.00 61.31 H new ATOM 0 HG22 THR A 37 5.458 24.495 4.583 1.00 61.31 H new ATOM 0 HG23 THR A 37 4.695 24.416 6.188 1.00 61.31 H new ATOM 545 N TYR A 38 7.620 21.330 4.111 1.00 23.24 N ATOM 546 CA TYR A 38 8.708 20.739 3.342 1.00 63.54 C ATOM 547 C TYR A 38 9.588 21.820 2.722 1.00 53.22 C ATOM 548 O TYR A 38 9.093 22.847 2.256 1.00 21.22 O ATOM 549 CB TYR A 38 8.150 19.829 2.246 1.00 42.24 C ATOM 550 CG TYR A 38 7.696 18.479 2.752 1.00 15.12 C ATOM 551 CD1 TYR A 38 8.586 17.611 3.371 1.00 65.12 C ATOM 552 CD2 TYR A 38 6.374 18.072 2.613 1.00 42.11 C ATOM 553 CE1 TYR A 38 8.175 16.376 3.834 1.00 4.33 C ATOM 554 CE2 TYR A 38 5.954 16.840 3.075 1.00 71.22 C ATOM 555 CZ TYR A 38 6.858 15.995 3.684 1.00 2.43 C ATOM 556 OH TYR A 38 6.444 14.767 4.146 1.00 65.20 O ATOM 0 H TYR A 38 6.712 21.302 3.648 1.00 23.24 H new ATOM 0 HA TYR A 38 9.319 20.145 4.022 1.00 63.54 H new ATOM 0 HB2 TYR A 38 7.309 20.328 1.764 1.00 42.24 H new ATOM 0 HB3 TYR A 38 8.914 19.683 1.483 1.00 42.24 H new ATOM 0 HD1 TYR A 38 9.618 17.907 3.493 1.00 65.12 H new ATOM 0 HD2 TYR A 38 5.663 18.730 2.136 1.00 42.11 H new ATOM 0 HE1 TYR A 38 8.881 15.712 4.311 1.00 4.33 H new ATOM 0 HE2 TYR A 38 4.923 16.540 2.960 1.00 71.22 H new ATOM 0 HH TYR A 38 5.488 14.654 3.963 1.00 65.20 H new ATOM 566 N SER A 39 10.895 21.581 2.719 1.00 2.34 N ATOM 567 CA SER A 39 11.846 22.535 2.160 1.00 54.30 C ATOM 568 C SER A 39 11.557 22.787 0.683 1.00 25.30 C ATOM 569 O SER A 39 11.968 23.803 0.123 1.00 1.54 O ATOM 570 CB SER A 39 13.277 22.022 2.332 1.00 54.30 C ATOM 571 OG SER A 39 13.564 20.993 1.402 1.00 25.51 O ATOM 0 H SER A 39 11.320 20.735 3.097 1.00 2.34 H new ATOM 0 HA SER A 39 11.739 23.476 2.699 1.00 54.30 H new ATOM 0 HB2 SER A 39 13.980 22.844 2.198 1.00 54.30 H new ATOM 0 HB3 SER A 39 13.413 21.648 3.347 1.00 54.30 H new ATOM 0 HG SER A 39 13.460 20.121 1.837 1.00 25.51 H new ATOM 577 N ASP A 40 10.849 21.853 0.058 1.00 71.01 N ATOM 578 CA ASP A 40 10.504 21.972 -1.354 1.00 11.20 C ATOM 579 C ASP A 40 9.477 23.080 -1.571 1.00 23.41 C ATOM 580 O ASP A 40 9.203 23.472 -2.704 1.00 52.20 O ATOM 581 CB ASP A 40 9.959 20.644 -1.882 1.00 10.13 C ATOM 582 CG ASP A 40 10.795 20.085 -3.016 1.00 22.01 C ATOM 583 OD1 ASP A 40 12.027 20.286 -2.999 1.00 44.00 O ATOM 584 OD2 ASP A 40 10.217 19.447 -3.921 1.00 63.00 O ATOM 0 H ASP A 40 10.503 21.005 0.507 1.00 71.01 H new ATOM 0 HA ASP A 40 11.410 22.228 -1.903 1.00 11.20 H new ATOM 0 HB2 ASP A 40 9.925 19.919 -1.068 1.00 10.13 H new ATOM 0 HB3 ASP A 40 8.934 20.786 -2.226 1.00 10.13 H new ATOM 589 N GLY A 41 8.912 23.579 -0.476 1.00 21.23 N ATOM 590 CA GLY A 41 7.921 24.635 -0.568 1.00 3.11 C ATOM 591 C GLY A 41 6.503 24.109 -0.476 1.00 73.15 C ATOM 592 O GLY A 41 5.626 24.528 -1.233 1.00 43.14 O ATOM 0 H GLY A 41 9.123 23.271 0.473 1.00 21.23 H new ATOM 0 HA2 GLY A 41 8.090 25.358 0.230 1.00 3.11 H new ATOM 0 HA3 GLY A 41 8.048 25.167 -1.511 1.00 3.11 H new ATOM 596 N THR A 42 6.274 23.185 0.452 1.00 2.42 N ATOM 597 CA THR A 42 4.953 22.599 0.638 1.00 20.20 C ATOM 598 C THR A 42 4.532 22.645 2.102 1.00 12.53 C ATOM 599 O THR A 42 5.343 22.930 2.984 1.00 53.11 O ATOM 600 CB THR A 42 4.913 21.138 0.150 1.00 2.34 C ATOM 601 OG1 THR A 42 5.987 20.898 -0.766 1.00 0.30 O ATOM 602 CG2 THR A 42 3.585 20.829 -0.524 1.00 43.03 C ATOM 0 H THR A 42 6.987 22.826 1.087 1.00 2.42 H new ATOM 0 HA THR A 42 4.258 23.192 0.044 1.00 20.20 H new ATOM 0 HB THR A 42 5.023 20.485 1.016 1.00 2.34 H new ATOM 0 HG1 THR A 42 5.956 19.967 -1.070 1.00 0.30 H new ATOM 0 HG21 THR A 42 3.580 19.792 -0.860 1.00 43.03 H new ATOM 0 HG22 THR A 42 2.772 20.984 0.185 1.00 43.03 H new ATOM 0 HG23 THR A 42 3.450 21.489 -1.381 1.00 43.03 H new ATOM 610 N LYS A 43 3.258 22.363 2.356 1.00 4.50 N ATOM 611 CA LYS A 43 2.728 22.371 3.714 1.00 25.14 C ATOM 612 C LYS A 43 1.754 21.216 3.925 1.00 44.22 C ATOM 613 O LYS A 43 0.813 21.038 3.153 1.00 72.32 O ATOM 614 CB LYS A 43 2.029 23.701 4.004 1.00 43.13 C ATOM 615 CG LYS A 43 0.840 23.973 3.098 1.00 23.24 C ATOM 616 CD LYS A 43 -0.468 23.932 3.869 1.00 35.53 C ATOM 617 CE LYS A 43 -1.642 23.606 2.958 1.00 10.01 C ATOM 618 NZ LYS A 43 -1.844 24.653 1.918 1.00 24.50 N ATOM 0 H LYS A 43 2.573 22.126 1.638 1.00 4.50 H new ATOM 0 HA LYS A 43 3.564 22.249 4.403 1.00 25.14 H new ATOM 0 HB2 LYS A 43 1.694 23.707 5.041 1.00 43.13 H new ATOM 0 HB3 LYS A 43 2.750 24.512 3.897 1.00 43.13 H new ATOM 0 HG2 LYS A 43 0.956 24.949 2.627 1.00 23.24 H new ATOM 0 HG3 LYS A 43 0.815 23.234 2.297 1.00 23.24 H new ATOM 0 HD2 LYS A 43 -0.402 23.185 4.660 1.00 35.53 H new ATOM 0 HD3 LYS A 43 -0.637 24.894 4.352 1.00 35.53 H new ATOM 0 HE2 LYS A 43 -1.471 22.643 2.476 1.00 10.01 H new ATOM 0 HE3 LYS A 43 -2.549 23.507 3.555 1.00 10.01 H new ATOM 0 HZ1 LYS A 43 -2.663 24.403 1.328 1.00 24.50 H new ATOM 0 HZ2 LYS A 43 -2.015 25.570 2.377 1.00 24.50 H new ATOM 0 HZ3 LYS A 43 -0.995 24.718 1.321 1.00 24.50 H new ATOM 632 N ALA A 44 1.987 20.436 4.975 1.00 32.21 N ATOM 633 CA ALA A 44 1.128 19.301 5.289 1.00 74.24 C ATOM 634 C ALA A 44 1.120 19.015 6.786 1.00 25.14 C ATOM 635 O ALA A 44 2.170 18.998 7.430 1.00 50.12 O ATOM 636 CB ALA A 44 1.577 18.069 4.516 1.00 4.43 C ATOM 0 H ALA A 44 2.764 20.569 5.623 1.00 32.21 H new ATOM 0 HA ALA A 44 0.111 19.554 4.989 1.00 74.24 H new ATOM 0 HB1 ALA A 44 0.927 17.229 4.760 1.00 4.43 H new ATOM 0 HB2 ALA A 44 1.523 18.271 3.446 1.00 4.43 H new ATOM 0 HB3 ALA A 44 2.604 17.824 4.787 1.00 4.43 H new ATOM 642 N ASP A 45 -0.068 18.791 7.335 1.00 13.35 N ATOM 643 CA ASP A 45 -0.212 18.506 8.758 1.00 22.43 C ATOM 644 C ASP A 45 0.089 17.039 9.051 1.00 21.01 C ATOM 645 O ASP A 45 -0.782 16.178 8.923 1.00 33.21 O ATOM 646 CB ASP A 45 -1.624 18.853 9.230 1.00 15.42 C ATOM 647 CG ASP A 45 -2.154 20.120 8.588 1.00 50.33 C ATOM 648 OD1 ASP A 45 -1.411 21.123 8.554 1.00 11.34 O ATOM 649 OD2 ASP A 45 -3.312 20.109 8.119 1.00 43.21 O ATOM 0 H ASP A 45 -0.946 18.801 6.816 1.00 13.35 H new ATOM 0 HA ASP A 45 0.505 19.122 9.301 1.00 22.43 H new ATOM 0 HB2 ASP A 45 -2.294 18.025 9.000 1.00 15.42 H new ATOM 0 HB3 ASP A 45 -1.623 18.971 10.314 1.00 15.42 H new ATOM 654 N LEU A 46 1.327 16.761 9.444 1.00 44.44 N ATOM 655 CA LEU A 46 1.744 15.398 9.754 1.00 43.31 C ATOM 656 C LEU A 46 2.350 15.319 11.152 1.00 70.15 C ATOM 657 O LEU A 46 3.303 16.031 11.469 1.00 64.11 O ATOM 658 CB LEU A 46 2.757 14.905 8.718 1.00 15.43 C ATOM 659 CG LEU A 46 2.205 13.995 7.621 1.00 33.40 C ATOM 660 CD1 LEU A 46 1.601 12.736 8.225 1.00 3.12 C ATOM 661 CD2 LEU A 46 1.172 14.734 6.783 1.00 11.23 C ATOM 0 H LEU A 46 2.060 17.462 9.556 1.00 44.44 H new ATOM 0 HA LEU A 46 0.862 14.758 9.723 1.00 43.31 H new ATOM 0 HB2 LEU A 46 3.215 15.774 8.245 1.00 15.43 H new ATOM 0 HB3 LEU A 46 3.550 14.371 9.241 1.00 15.43 H new ATOM 0 HG LEU A 46 3.029 13.703 6.971 1.00 33.40 H new ATOM 0 HD11 LEU A 46 1.213 12.100 7.429 1.00 3.12 H new ATOM 0 HD12 LEU A 46 2.367 12.195 8.780 1.00 3.12 H new ATOM 0 HD13 LEU A 46 0.789 13.009 8.899 1.00 3.12 H new ATOM 0 HD21 LEU A 46 0.790 14.070 6.007 1.00 11.23 H new ATOM 0 HD22 LEU A 46 0.349 15.057 7.421 1.00 11.23 H new ATOM 0 HD23 LEU A 46 1.635 15.605 6.319 1.00 11.23 H new ATOM 673 N THR A 47 1.791 14.446 11.984 1.00 24.04 N ATOM 674 CA THR A 47 2.276 14.272 13.348 1.00 45.14 C ATOM 675 C THR A 47 2.944 12.913 13.525 1.00 53.03 C ATOM 676 O THR A 47 3.449 12.594 14.601 1.00 40.41 O ATOM 677 CB THR A 47 1.134 14.408 14.372 1.00 61.10 C ATOM 678 OG1 THR A 47 0.240 13.295 14.259 1.00 23.24 O ATOM 679 CG2 THR A 47 0.367 15.704 14.159 1.00 43.23 C ATOM 0 H THR A 47 1.002 13.848 11.737 1.00 24.04 H new ATOM 0 HA THR A 47 3.009 15.059 13.526 1.00 45.14 H new ATOM 0 HB THR A 47 1.571 14.423 15.370 1.00 61.10 H new ATOM 0 HG1 THR A 47 -0.482 13.388 14.915 1.00 23.24 H new ATOM 0 HG21 THR A 47 -0.434 15.777 14.894 1.00 43.23 H new ATOM 0 HG22 THR A 47 1.044 16.551 14.274 1.00 43.23 H new ATOM 0 HG23 THR A 47 -0.059 15.714 13.156 1.00 43.23 H new ATOM 687 N SER A 48 2.943 12.115 12.461 1.00 15.34 N ATOM 688 CA SER A 48 3.546 10.788 12.501 1.00 55.22 C ATOM 689 C SER A 48 5.063 10.877 12.374 1.00 43.23 C ATOM 690 O SER A 48 5.790 10.008 12.856 1.00 14.43 O ATOM 691 CB SER A 48 2.979 9.914 11.380 1.00 10.04 C ATOM 692 OG SER A 48 3.309 8.551 11.581 1.00 32.50 O ATOM 0 H SER A 48 2.532 12.365 11.562 1.00 15.34 H new ATOM 0 HA SER A 48 3.306 10.335 13.463 1.00 55.22 H new ATOM 0 HB2 SER A 48 1.896 10.027 11.339 1.00 10.04 H new ATOM 0 HB3 SER A 48 3.371 10.249 10.420 1.00 10.04 H new ATOM 0 HG SER A 48 2.934 8.013 10.853 1.00 32.50 H new ATOM 698 N SER A 49 5.535 11.934 11.720 1.00 2.24 N ATOM 699 CA SER A 49 6.966 12.136 11.526 1.00 41.25 C ATOM 700 C SER A 49 7.610 12.710 12.784 1.00 21.10 C ATOM 701 O SER A 49 8.687 12.278 13.196 1.00 12.55 O ATOM 702 CB SER A 49 7.214 13.071 10.340 1.00 11.44 C ATOM 703 OG SER A 49 8.139 12.505 9.429 1.00 45.32 O ATOM 0 H SER A 49 4.947 12.663 11.316 1.00 2.24 H new ATOM 0 HA SER A 49 7.419 11.167 11.317 1.00 41.25 H new ATOM 0 HB2 SER A 49 6.273 13.273 9.829 1.00 11.44 H new ATOM 0 HB3 SER A 49 7.593 14.028 10.700 1.00 11.44 H new ATOM 0 HG SER A 49 8.279 13.121 8.680 1.00 45.32 H new ATOM 709 N VAL A 50 6.942 13.686 13.390 1.00 3.44 N ATOM 710 CA VAL A 50 7.447 14.320 14.603 1.00 64.24 C ATOM 711 C VAL A 50 7.523 13.323 15.753 1.00 31.42 C ATOM 712 O VAL A 50 6.641 12.479 15.918 1.00 12.23 O ATOM 713 CB VAL A 50 6.563 15.508 15.025 1.00 43.31 C ATOM 714 CG1 VAL A 50 6.541 16.571 13.937 1.00 63.13 C ATOM 715 CG2 VAL A 50 5.154 15.035 15.348 1.00 2.22 C ATOM 0 H VAL A 50 6.050 14.055 13.061 1.00 3.44 H new ATOM 0 HA VAL A 50 8.449 14.685 14.376 1.00 64.24 H new ATOM 0 HB VAL A 50 6.988 15.953 15.925 1.00 43.31 H new ATOM 0 HG11 VAL A 50 5.911 17.402 14.253 1.00 63.13 H new ATOM 0 HG12 VAL A 50 7.554 16.931 13.759 1.00 63.13 H new ATOM 0 HG13 VAL A 50 6.141 16.143 13.018 1.00 63.13 H new ATOM 0 HG21 VAL A 50 4.543 15.888 15.644 1.00 2.22 H new ATOM 0 HG22 VAL A 50 4.717 14.564 14.467 1.00 2.22 H new ATOM 0 HG23 VAL A 50 5.191 14.314 16.164 1.00 2.22 H new ATOM 725 N THR A 51 8.583 13.424 16.549 1.00 42.41 N ATOM 726 CA THR A 51 8.775 12.531 17.684 1.00 1.45 C ATOM 727 C THR A 51 8.341 13.196 18.986 1.00 62.10 C ATOM 728 O THR A 51 8.639 14.366 19.226 1.00 64.13 O ATOM 729 CB THR A 51 10.246 12.092 17.811 1.00 30.22 C ATOM 730 OG1 THR A 51 11.086 13.238 17.987 1.00 64.14 O ATOM 731 CG2 THR A 51 10.687 11.317 16.579 1.00 63.12 C ATOM 0 H THR A 51 9.322 14.116 16.428 1.00 42.41 H new ATOM 0 HA THR A 51 8.156 11.652 17.503 1.00 1.45 H new ATOM 0 HB THR A 51 10.335 11.441 18.681 1.00 30.22 H new ATOM 0 HG1 THR A 51 10.949 13.861 17.243 1.00 64.14 H new ATOM 0 HG21 THR A 51 11.729 11.017 16.691 1.00 63.12 H new ATOM 0 HG22 THR A 51 10.064 10.430 16.465 1.00 63.12 H new ATOM 0 HG23 THR A 51 10.584 11.948 15.696 1.00 63.12 H new ATOM 739 N TRP A 52 7.637 12.443 19.823 1.00 60.31 N ATOM 740 CA TRP A 52 7.163 12.960 21.102 1.00 73.34 C ATOM 741 C TRP A 52 7.691 12.119 22.258 1.00 35.55 C ATOM 742 O TRP A 52 7.701 10.890 22.190 1.00 31.52 O ATOM 743 CB TRP A 52 5.634 12.985 21.129 1.00 14.12 C ATOM 744 CG TRP A 52 5.046 14.157 20.403 1.00 73.00 C ATOM 745 CD1 TRP A 52 5.519 15.438 20.396 1.00 61.05 C ATOM 746 CD2 TRP A 52 3.874 14.155 19.580 1.00 0.33 C ATOM 747 NE1 TRP A 52 4.712 16.233 19.618 1.00 61.24 N ATOM 748 CE2 TRP A 52 3.696 15.470 19.106 1.00 64.44 C ATOM 749 CE3 TRP A 52 2.959 13.171 19.197 1.00 51.43 C ATOM 750 CZ2 TRP A 52 2.641 15.822 18.269 1.00 13.31 C ATOM 751 CZ3 TRP A 52 1.911 13.523 18.367 1.00 45.13 C ATOM 752 CH2 TRP A 52 1.760 14.839 17.910 1.00 73.04 C ATOM 0 H TRP A 52 7.382 11.473 19.639 1.00 60.31 H new ATOM 0 HA TRP A 52 7.538 13.977 21.217 1.00 73.34 H new ATOM 0 HB2 TRP A 52 5.255 12.064 20.685 1.00 14.12 H new ATOM 0 HB3 TRP A 52 5.296 13.002 22.165 1.00 14.12 H new ATOM 0 HD1 TRP A 52 6.398 15.777 20.924 1.00 61.05 H new ATOM 0 HE1 TRP A 52 4.848 17.230 19.449 1.00 61.24 H new ATOM 0 HE3 TRP A 52 3.068 12.154 19.543 1.00 51.43 H new ATOM 0 HZ2 TRP A 52 2.522 16.836 17.915 1.00 13.31 H new ATOM 0 HZ3 TRP A 52 1.197 12.771 18.066 1.00 45.13 H new ATOM 0 HH2 TRP A 52 0.931 15.082 17.261 1.00 73.04 H new ATOM 763 N SER A 53 8.128 12.788 23.320 1.00 11.02 N ATOM 764 CA SER A 53 8.661 12.101 24.491 1.00 54.01 C ATOM 765 C SER A 53 8.353 12.882 25.765 1.00 23.53 C ATOM 766 O SER A 53 8.795 14.018 25.932 1.00 40.41 O ATOM 767 CB SER A 53 10.171 11.906 24.351 1.00 45.15 C ATOM 768 OG SER A 53 10.477 10.599 23.898 1.00 60.45 O ATOM 0 H SER A 53 8.124 13.805 23.394 1.00 11.02 H new ATOM 0 HA SER A 53 8.181 11.125 24.559 1.00 54.01 H new ATOM 0 HB2 SER A 53 10.572 12.640 23.652 1.00 45.15 H new ATOM 0 HB3 SER A 53 10.654 12.084 25.312 1.00 45.15 H new ATOM 0 HG SER A 53 11.449 10.501 23.815 1.00 60.45 H new ATOM 774 N SER A 54 7.593 12.262 26.662 1.00 12.13 N ATOM 775 CA SER A 54 7.222 12.899 27.921 1.00 62.13 C ATOM 776 C SER A 54 8.024 12.317 29.081 1.00 44.12 C ATOM 777 O SER A 54 8.489 11.179 29.020 1.00 72.24 O ATOM 778 CB SER A 54 5.725 12.725 28.183 1.00 1.12 C ATOM 779 OG SER A 54 5.493 12.177 29.469 1.00 0.12 O ATOM 0 H SER A 54 7.222 11.320 26.541 1.00 12.13 H new ATOM 0 HA SER A 54 7.449 13.962 27.843 1.00 62.13 H new ATOM 0 HB2 SER A 54 5.223 13.689 28.099 1.00 1.12 H new ATOM 0 HB3 SER A 54 5.293 12.074 27.423 1.00 1.12 H new ATOM 0 HG SER A 54 4.529 12.077 29.613 1.00 0.12 H new ATOM 785 N SER A 55 8.183 13.108 30.138 1.00 72.54 N ATOM 786 CA SER A 55 8.932 12.674 31.311 1.00 32.21 C ATOM 787 C SER A 55 8.442 11.313 31.796 1.00 60.54 C ATOM 788 O SER A 55 9.194 10.339 31.808 1.00 74.33 O ATOM 789 CB SER A 55 8.803 13.704 32.434 1.00 15.35 C ATOM 790 OG SER A 55 9.659 14.811 32.212 1.00 24.14 O ATOM 0 H SER A 55 7.803 14.052 30.206 1.00 72.54 H new ATOM 0 HA SER A 55 9.981 12.584 31.028 1.00 32.21 H new ATOM 0 HB2 SER A 55 7.770 14.047 32.501 1.00 15.35 H new ATOM 0 HB3 SER A 55 9.046 13.238 33.389 1.00 15.35 H new ATOM 0 HG SER A 55 9.556 15.456 32.943 1.00 24.14 H new ATOM 796 N ASN A 56 7.176 11.254 32.195 1.00 54.05 N ATOM 797 CA ASN A 56 6.584 10.013 32.681 1.00 60.10 C ATOM 798 C ASN A 56 6.212 9.096 31.520 1.00 72.02 C ATOM 799 O ASN A 56 5.458 9.484 30.628 1.00 74.50 O ATOM 800 CB ASN A 56 5.345 10.312 33.527 1.00 33.51 C ATOM 801 CG ASN A 56 5.528 11.530 34.411 1.00 51.33 C ATOM 802 OD1 ASN A 56 6.643 11.850 34.823 1.00 30.44 O ATOM 803 ND2 ASN A 56 4.431 12.217 34.706 1.00 55.54 N ATOM 0 H ASN A 56 6.540 12.051 32.191 1.00 54.05 H new ATOM 0 HA ASN A 56 7.324 9.504 33.299 1.00 60.10 H new ATOM 0 HB2 ASN A 56 4.489 10.469 32.870 1.00 33.51 H new ATOM 0 HB3 ASN A 56 5.116 9.447 34.149 1.00 33.51 H new ATOM 0 HD21 ASN A 56 4.492 13.047 35.296 1.00 55.54 H new ATOM 0 HD22 ASN A 56 3.527 11.915 34.342 1.00 55.54 H new ATOM 810 N GLN A 57 6.746 7.879 31.539 1.00 0.11 N ATOM 811 CA GLN A 57 6.470 6.907 30.488 1.00 52.32 C ATOM 812 C GLN A 57 4.986 6.559 30.445 1.00 73.40 C ATOM 813 O GLN A 57 4.452 6.202 29.395 1.00 52.23 O ATOM 814 CB GLN A 57 7.298 5.640 30.706 1.00 74.54 C ATOM 815 CG GLN A 57 8.588 5.610 29.903 1.00 40.15 C ATOM 816 CD GLN A 57 8.421 4.936 28.555 1.00 65.10 C ATOM 817 OE1 GLN A 57 8.261 3.718 28.473 1.00 75.11 O ATOM 818 NE2 GLN A 57 8.459 5.726 27.489 1.00 41.34 N ATOM 0 H GLN A 57 7.372 7.543 32.271 1.00 0.11 H new ATOM 0 HA GLN A 57 6.747 7.353 29.533 1.00 52.32 H new ATOM 0 HB2 GLN A 57 7.537 5.550 31.766 1.00 74.54 H new ATOM 0 HB3 GLN A 57 6.695 4.772 30.441 1.00 74.54 H new ATOM 0 HG2 GLN A 57 8.942 6.630 29.754 1.00 40.15 H new ATOM 0 HG3 GLN A 57 9.355 5.087 30.474 1.00 40.15 H new ATOM 0 HE21 GLN A 57 8.594 6.731 27.603 1.00 41.34 H new ATOM 0 HE22 GLN A 57 8.353 5.328 26.556 1.00 41.34 H new ATOM 827 N SER A 58 4.325 6.663 31.593 1.00 11.55 N ATOM 828 CA SER A 58 2.903 6.355 31.688 1.00 12.10 C ATOM 829 C SER A 58 2.065 7.451 31.037 1.00 52.04 C ATOM 830 O SER A 58 1.122 7.169 30.297 1.00 23.33 O ATOM 831 CB SER A 58 2.492 6.186 33.152 1.00 23.21 C ATOM 832 OG SER A 58 3.513 5.544 33.897 1.00 10.40 O ATOM 0 H SER A 58 4.752 6.958 32.471 1.00 11.55 H new ATOM 0 HA SER A 58 2.723 5.420 31.157 1.00 12.10 H new ATOM 0 HB2 SER A 58 2.278 7.162 33.588 1.00 23.21 H new ATOM 0 HB3 SER A 58 1.573 5.602 33.210 1.00 23.21 H new ATOM 0 HG SER A 58 3.227 5.449 34.830 1.00 10.40 H new ATOM 838 N GLN A 59 2.416 8.702 31.317 1.00 22.34 N ATOM 839 CA GLN A 59 1.696 9.840 30.760 1.00 43.43 C ATOM 840 C GLN A 59 2.256 10.222 29.393 1.00 75.41 C ATOM 841 O GLN A 59 1.773 11.155 28.752 1.00 34.42 O ATOM 842 CB GLN A 59 1.778 11.037 31.709 1.00 10.01 C ATOM 843 CG GLN A 59 0.524 11.237 32.545 1.00 2.01 C ATOM 844 CD GLN A 59 0.789 12.021 33.815 1.00 33.25 C ATOM 845 OE1 GLN A 59 0.242 13.106 34.014 1.00 45.41 O ATOM 846 NE2 GLN A 59 1.630 11.474 34.685 1.00 64.44 N ATOM 0 H GLN A 59 3.195 8.953 31.926 1.00 22.34 H new ATOM 0 HA GLN A 59 0.652 9.552 30.638 1.00 43.43 H new ATOM 0 HB2 GLN A 59 2.631 10.905 32.374 1.00 10.01 H new ATOM 0 HB3 GLN A 59 1.965 11.940 31.127 1.00 10.01 H new ATOM 0 HG2 GLN A 59 -0.225 11.759 31.950 1.00 2.01 H new ATOM 0 HG3 GLN A 59 0.105 10.264 32.803 1.00 2.01 H new ATOM 0 HE21 GLN A 59 2.061 10.573 34.480 1.00 64.44 H new ATOM 0 HE22 GLN A 59 1.845 11.955 35.558 1.00 64.44 H new ATOM 855 N ALA A 60 3.277 9.494 28.953 1.00 74.41 N ATOM 856 CA ALA A 60 3.900 9.754 27.662 1.00 45.54 C ATOM 857 C ALA A 60 3.259 8.914 26.562 1.00 1.54 C ATOM 858 O ALA A 60 3.876 7.990 26.033 1.00 21.20 O ATOM 859 CB ALA A 60 5.396 9.481 27.733 1.00 55.20 C ATOM 0 H ALA A 60 3.690 8.719 29.472 1.00 74.41 H new ATOM 0 HA ALA A 60 3.744 10.805 27.417 1.00 45.54 H new ATOM 0 HB1 ALA A 60 5.849 9.679 26.761 1.00 55.20 H new ATOM 0 HB2 ALA A 60 5.849 10.129 28.483 1.00 55.20 H new ATOM 0 HB3 ALA A 60 5.563 8.439 28.005 1.00 55.20 H new ATOM 865 N LYS A 61 2.017 9.241 26.223 1.00 14.24 N ATOM 866 CA LYS A 61 1.291 8.518 25.186 1.00 35.34 C ATOM 867 C LYS A 61 0.797 9.470 24.102 1.00 11.43 C ATOM 868 O LYS A 61 0.320 10.567 24.395 1.00 21.14 O ATOM 869 CB LYS A 61 0.106 7.764 25.796 1.00 62.13 C ATOM 870 CG LYS A 61 0.025 6.310 25.366 1.00 74.54 C ATOM 871 CD LYS A 61 0.798 5.404 26.310 1.00 13.51 C ATOM 872 CE LYS A 61 1.890 4.639 25.579 1.00 4.44 C ATOM 873 NZ LYS A 61 1.352 3.446 24.870 1.00 42.15 N ATOM 0 H LYS A 61 1.492 10.003 26.652 1.00 14.24 H new ATOM 0 HA LYS A 61 1.975 7.802 24.731 1.00 35.34 H new ATOM 0 HB2 LYS A 61 0.178 7.809 26.883 1.00 62.13 H new ATOM 0 HB3 LYS A 61 -0.818 8.269 25.516 1.00 62.13 H new ATOM 0 HG2 LYS A 61 -1.019 5.997 25.334 1.00 74.54 H new ATOM 0 HG3 LYS A 61 0.421 6.206 24.356 1.00 74.54 H new ATOM 0 HD2 LYS A 61 1.242 6.001 27.107 1.00 13.51 H new ATOM 0 HD3 LYS A 61 0.113 4.700 26.783 1.00 13.51 H new ATOM 0 HE2 LYS A 61 2.377 5.299 24.861 1.00 4.44 H new ATOM 0 HE3 LYS A 61 2.652 4.325 26.292 1.00 4.44 H new ATOM 0 HZ1 LYS A 61 2.128 2.952 24.384 1.00 42.15 H new ATOM 0 HZ2 LYS A 61 0.909 2.804 25.558 1.00 42.15 H new ATOM 0 HZ3 LYS A 61 0.643 3.748 24.172 1.00 42.15 H new ATOM 887 N VAL A 62 0.913 9.044 22.849 1.00 41.25 N ATOM 888 CA VAL A 62 0.476 9.858 21.721 1.00 42.43 C ATOM 889 C VAL A 62 -0.118 8.993 20.616 1.00 72.45 C ATOM 890 O VAL A 62 0.296 7.851 20.416 1.00 25.15 O ATOM 891 CB VAL A 62 1.640 10.685 21.141 1.00 74.42 C ATOM 892 CG1 VAL A 62 2.267 11.554 22.220 1.00 62.22 C ATOM 893 CG2 VAL A 62 2.679 9.771 20.509 1.00 32.55 C ATOM 0 H VAL A 62 1.306 8.139 22.589 1.00 41.25 H new ATOM 0 HA VAL A 62 -0.289 10.536 22.098 1.00 42.43 H new ATOM 0 HB VAL A 62 1.246 11.341 20.364 1.00 74.42 H new ATOM 0 HG11 VAL A 62 3.087 12.131 21.792 1.00 62.22 H new ATOM 0 HG12 VAL A 62 1.516 12.234 22.621 1.00 62.22 H new ATOM 0 HG13 VAL A 62 2.648 10.921 23.021 1.00 62.22 H new ATOM 0 HG21 VAL A 62 3.494 10.371 20.104 1.00 32.55 H new ATOM 0 HG22 VAL A 62 3.071 9.089 21.264 1.00 32.55 H new ATOM 0 HG23 VAL A 62 2.218 9.197 19.705 1.00 32.55 H new ATOM 903 N SER A 63 -1.092 9.544 19.899 1.00 52.14 N ATOM 904 CA SER A 63 -1.747 8.821 18.815 1.00 42.14 C ATOM 905 C SER A 63 -1.507 9.514 17.477 1.00 41.13 C ATOM 906 O SER A 63 -2.420 10.098 16.896 1.00 52.54 O ATOM 907 CB SER A 63 -3.249 8.709 19.082 1.00 51.42 C ATOM 908 OG SER A 63 -3.559 7.499 19.751 1.00 55.33 O ATOM 0 H SER A 63 -1.445 10.489 20.049 1.00 52.14 H new ATOM 0 HA SER A 63 -1.318 7.820 18.768 1.00 42.14 H new ATOM 0 HB2 SER A 63 -3.579 9.556 19.684 1.00 51.42 H new ATOM 0 HB3 SER A 63 -3.794 8.757 18.139 1.00 51.42 H new ATOM 0 HG SER A 63 -4.525 7.452 19.912 1.00 55.33 H new ATOM 914 N ASN A 64 -0.270 9.444 16.994 1.00 34.34 N ATOM 915 CA ASN A 64 0.091 10.065 15.725 1.00 24.53 C ATOM 916 C ASN A 64 0.191 9.020 14.618 1.00 43.03 C ATOM 917 O ASN A 64 1.168 8.275 14.539 1.00 11.41 O ATOM 918 CB ASN A 64 1.420 10.811 15.859 1.00 24.23 C ATOM 919 CG ASN A 64 2.440 10.035 16.670 1.00 30.33 C ATOM 920 OD1 ASN A 64 2.374 8.809 16.762 1.00 34.22 O ATOM 921 ND2 ASN A 64 3.390 10.748 17.264 1.00 62.42 N ATOM 0 H ASN A 64 0.498 8.964 17.462 1.00 34.34 H new ATOM 0 HA ASN A 64 -0.692 10.776 15.460 1.00 24.53 H new ATOM 0 HB2 ASN A 64 1.824 11.009 14.866 1.00 24.23 H new ATOM 0 HB3 ASN A 64 1.245 11.778 16.330 1.00 24.23 H new ATOM 0 HD21 ASN A 64 4.104 10.281 17.824 1.00 62.42 H new ATOM 0 HD22 ASN A 64 3.406 11.763 17.161 1.00 62.42 H new ATOM 928 N ALA A 65 -0.826 8.972 13.764 1.00 42.14 N ATOM 929 CA ALA A 65 -0.852 8.021 12.659 1.00 4.31 C ATOM 930 C ALA A 65 -2.005 8.317 11.707 1.00 51.53 C ATOM 931 O ALA A 65 -1.870 8.180 10.491 1.00 61.50 O ATOM 932 CB ALA A 65 -0.954 6.599 13.189 1.00 34.13 C ATOM 0 H ALA A 65 -1.643 9.581 13.816 1.00 42.14 H new ATOM 0 HA ALA A 65 0.079 8.123 12.102 1.00 4.31 H new ATOM 0 HB1 ALA A 65 -0.972 5.900 12.353 1.00 34.13 H new ATOM 0 HB2 ALA A 65 -0.094 6.384 13.823 1.00 34.13 H new ATOM 0 HB3 ALA A 65 -1.869 6.493 13.771 1.00 34.13 H new ATOM 938 N SER A 66 -3.140 8.725 12.267 1.00 24.51 N ATOM 939 CA SER A 66 -4.319 9.036 11.467 1.00 24.23 C ATOM 940 C SER A 66 -3.996 10.088 10.411 1.00 61.14 C ATOM 941 O SER A 66 -4.314 9.918 9.234 1.00 2.21 O ATOM 942 CB SER A 66 -5.454 9.530 12.365 1.00 11.25 C ATOM 943 OG SER A 66 -6.643 8.795 12.135 1.00 34.14 O ATOM 0 H SER A 66 -3.268 8.848 13.271 1.00 24.51 H new ATOM 0 HA SER A 66 -4.636 8.124 10.961 1.00 24.23 H new ATOM 0 HB2 SER A 66 -5.161 9.436 13.411 1.00 11.25 H new ATOM 0 HB3 SER A 66 -5.635 10.588 12.178 1.00 11.25 H new ATOM 0 HG SER A 66 -7.389 9.415 11.997 1.00 34.14 H new ATOM 949 N GLU A 67 -3.362 11.175 10.841 1.00 73.44 N ATOM 950 CA GLU A 67 -2.997 12.255 9.932 1.00 72.02 C ATOM 951 C GLU A 67 -2.319 13.395 10.686 1.00 20.24 C ATOM 952 O GLU A 67 -1.094 13.524 10.671 1.00 33.51 O ATOM 953 CB GLU A 67 -4.236 12.778 9.202 1.00 72.10 C ATOM 954 CG GLU A 67 -3.995 14.073 8.445 1.00 71.03 C ATOM 955 CD GLU A 67 -4.674 14.091 7.089 1.00 51.10 C ATOM 956 OE1 GLU A 67 -5.743 13.460 6.952 1.00 41.35 O ATOM 957 OE2 GLU A 67 -4.136 14.737 6.165 1.00 10.03 O ATOM 0 H GLU A 67 -3.091 11.331 11.812 1.00 73.44 H new ATOM 0 HA GLU A 67 -2.294 11.857 9.200 1.00 72.02 H new ATOM 0 HB2 GLU A 67 -4.583 12.017 8.503 1.00 72.10 H new ATOM 0 HB3 GLU A 67 -5.035 12.934 9.926 1.00 72.10 H new ATOM 0 HG2 GLU A 67 -4.359 14.911 9.040 1.00 71.03 H new ATOM 0 HG3 GLU A 67 -2.923 14.218 8.312 1.00 71.03 H new ATOM 964 N THR A 68 -3.124 14.222 11.346 1.00 32.55 N ATOM 965 CA THR A 68 -2.604 15.352 12.105 1.00 23.45 C ATOM 966 C THR A 68 -3.202 15.395 13.507 1.00 25.41 C ATOM 967 O THR A 68 -3.203 16.438 14.161 1.00 20.32 O ATOM 968 CB THR A 68 -2.894 16.687 11.395 1.00 43.02 C ATOM 969 OG1 THR A 68 -2.296 17.768 12.120 1.00 71.33 O ATOM 970 CG2 THR A 68 -4.392 16.920 11.271 1.00 61.11 C ATOM 0 H THR A 68 -4.140 14.130 11.370 1.00 32.55 H new ATOM 0 HA THR A 68 -1.525 15.214 12.177 1.00 23.45 H new ATOM 0 HB THR A 68 -2.466 16.641 10.394 1.00 43.02 H new ATOM 0 HG1 THR A 68 -2.461 17.650 13.079 1.00 71.33 H new ATOM 0 HG21 THR A 68 -4.572 17.869 10.766 1.00 61.11 H new ATOM 0 HG22 THR A 68 -4.839 16.111 10.693 1.00 61.11 H new ATOM 0 HG23 THR A 68 -4.840 16.947 12.265 1.00 61.11 H new ATOM 978 N LYS A 69 -3.709 14.255 13.964 1.00 23.31 N ATOM 979 CA LYS A 69 -4.308 14.161 15.290 1.00 73.31 C ATOM 980 C LYS A 69 -3.368 14.719 16.353 1.00 11.41 C ATOM 981 O LYS A 69 -3.486 15.876 16.754 1.00 52.51 O ATOM 982 CB LYS A 69 -4.654 12.706 15.614 1.00 73.54 C ATOM 983 CG LYS A 69 -5.816 12.161 14.800 1.00 1.14 C ATOM 984 CD LYS A 69 -6.648 11.178 15.606 1.00 33.21 C ATOM 985 CE LYS A 69 -7.568 10.362 14.711 1.00 31.30 C ATOM 986 NZ LYS A 69 -8.967 10.346 15.221 1.00 53.14 N ATOM 0 H LYS A 69 -3.717 13.383 13.435 1.00 23.31 H new ATOM 0 HA LYS A 69 -5.222 14.755 15.291 1.00 73.31 H new ATOM 0 HB2 LYS A 69 -3.776 12.085 15.439 1.00 73.54 H new ATOM 0 HB3 LYS A 69 -4.895 12.626 16.674 1.00 73.54 H new ATOM 0 HG2 LYS A 69 -6.446 12.985 14.467 1.00 1.14 H new ATOM 0 HG3 LYS A 69 -5.435 11.669 13.905 1.00 1.14 H new ATOM 0 HD2 LYS A 69 -5.988 10.509 16.158 1.00 33.21 H new ATOM 0 HD3 LYS A 69 -7.242 11.720 16.342 1.00 33.21 H new ATOM 0 HE2 LYS A 69 -7.554 10.775 13.703 1.00 31.30 H new ATOM 0 HE3 LYS A 69 -7.195 9.340 14.642 1.00 31.30 H new ATOM 0 HZ1 LYS A 69 -9.562 9.780 14.584 1.00 53.14 H new ATOM 0 HZ2 LYS A 69 -8.985 9.928 16.173 1.00 53.14 H new ATOM 0 HZ3 LYS A 69 -9.332 11.319 15.263 1.00 53.14 H new ATOM 1000 N GLY A 70 -2.433 13.889 16.805 1.00 0.23 N ATOM 1001 CA GLY A 70 -1.485 14.319 17.817 1.00 54.32 C ATOM 1002 C GLY A 70 -2.027 14.161 19.224 1.00 54.24 C ATOM 1003 O GLY A 70 -1.310 14.376 20.201 1.00 2.13 O ATOM 0 H GLY A 70 -2.315 12.927 16.489 1.00 0.23 H new ATOM 0 HA2 GLY A 70 -0.566 13.742 17.718 1.00 54.32 H new ATOM 0 HA3 GLY A 70 -1.225 15.364 17.646 1.00 54.32 H new ATOM 1007 N LEU A 71 -3.298 13.786 19.328 1.00 45.23 N ATOM 1008 CA LEU A 71 -3.937 13.601 20.626 1.00 64.11 C ATOM 1009 C LEU A 71 -3.081 12.724 21.534 1.00 24.11 C ATOM 1010 O LEU A 71 -2.686 11.621 21.157 1.00 62.52 O ATOM 1011 CB LEU A 71 -5.321 12.974 20.450 1.00 10.52 C ATOM 1012 CG LEU A 71 -5.348 11.554 19.885 1.00 71.10 C ATOM 1013 CD1 LEU A 71 -5.580 10.542 20.996 1.00 33.30 C ATOM 1014 CD2 LEU A 71 -6.420 11.427 18.813 1.00 73.13 C ATOM 0 H LEU A 71 -3.906 13.604 18.529 1.00 45.23 H new ATOM 0 HA LEU A 71 -4.045 14.580 21.093 1.00 64.11 H new ATOM 0 HB2 LEU A 71 -5.821 12.968 21.419 1.00 10.52 H new ATOM 0 HB3 LEU A 71 -5.908 13.616 19.793 1.00 10.52 H new ATOM 0 HG LEU A 71 -4.380 11.346 19.429 1.00 71.10 H new ATOM 0 HD11 LEU A 71 -5.596 9.537 20.575 1.00 33.30 H new ATOM 0 HD12 LEU A 71 -4.776 10.616 21.729 1.00 33.30 H new ATOM 0 HD13 LEU A 71 -6.534 10.747 21.482 1.00 33.30 H new ATOM 0 HD21 LEU A 71 -6.425 10.410 18.422 1.00 73.13 H new ATOM 0 HD22 LEU A 71 -7.395 11.655 19.244 1.00 73.13 H new ATOM 0 HD23 LEU A 71 -6.210 12.126 18.003 1.00 73.13 H new ATOM 1026 N VAL A 72 -2.799 13.221 22.734 1.00 2.22 N ATOM 1027 CA VAL A 72 -1.993 12.482 23.698 1.00 24.21 C ATOM 1028 C VAL A 72 -2.853 11.945 24.836 1.00 25.55 C ATOM 1029 O VAL A 72 -3.822 12.581 25.252 1.00 63.11 O ATOM 1030 CB VAL A 72 -0.873 13.362 24.286 1.00 74.31 C ATOM 1031 CG1 VAL A 72 -0.026 13.961 23.174 1.00 0.52 C ATOM 1032 CG2 VAL A 72 -1.462 14.453 25.167 1.00 2.21 C ATOM 0 H VAL A 72 -3.117 14.133 23.062 1.00 2.22 H new ATOM 0 HA VAL A 72 -1.544 11.647 23.161 1.00 24.21 H new ATOM 0 HB VAL A 72 -0.228 12.737 24.904 1.00 74.31 H new ATOM 0 HG11 VAL A 72 0.760 14.579 23.608 1.00 0.52 H new ATOM 0 HG12 VAL A 72 0.425 13.160 22.588 1.00 0.52 H new ATOM 0 HG13 VAL A 72 -0.654 14.574 22.528 1.00 0.52 H new ATOM 0 HG21 VAL A 72 -0.658 15.066 25.574 1.00 2.21 H new ATOM 0 HG22 VAL A 72 -2.130 15.078 24.574 1.00 2.21 H new ATOM 0 HG23 VAL A 72 -2.021 13.998 25.985 1.00 2.21 H new ATOM 1042 N THR A 73 -2.492 10.768 25.339 1.00 23.21 N ATOM 1043 CA THR A 73 -3.230 10.144 26.430 1.00 71.44 C ATOM 1044 C THR A 73 -2.334 9.920 27.643 1.00 75.44 C ATOM 1045 O THR A 73 -1.125 9.742 27.509 1.00 45.21 O ATOM 1046 CB THR A 73 -3.837 8.795 25.998 1.00 42.23 C ATOM 1047 OG1 THR A 73 -4.179 8.835 24.608 1.00 62.42 O ATOM 1048 CG2 THR A 73 -5.074 8.470 26.821 1.00 52.23 C ATOM 0 H THR A 73 -1.693 10.228 25.008 1.00 23.21 H new ATOM 0 HA THR A 73 -4.036 10.828 26.698 1.00 71.44 H new ATOM 0 HB THR A 73 -3.093 8.016 26.167 1.00 42.23 H new ATOM 0 HG1 THR A 73 -4.562 7.974 24.341 1.00 62.42 H new ATOM 0 HG21 THR A 73 -5.485 7.513 26.498 1.00 52.23 H new ATOM 0 HG22 THR A 73 -4.804 8.412 27.876 1.00 52.23 H new ATOM 0 HG23 THR A 73 -5.820 9.252 26.680 1.00 52.23 H new ATOM 1056 N GLY A 74 -2.938 9.929 28.828 1.00 64.53 N ATOM 1057 CA GLY A 74 -2.179 9.725 30.048 1.00 62.43 C ATOM 1058 C GLY A 74 -2.694 8.554 30.862 1.00 44.21 C ATOM 1059 O GLY A 74 -3.805 8.074 30.637 1.00 50.32 O ATOM 0 H GLY A 74 -3.938 10.074 28.964 1.00 64.53 H new ATOM 0 HA2 GLY A 74 -1.132 9.556 29.797 1.00 62.43 H new ATOM 0 HA3 GLY A 74 -2.220 10.630 30.653 1.00 62.43 H new ATOM 1063 N ILE A 75 -1.884 8.093 31.809 1.00 30.21 N ATOM 1064 CA ILE A 75 -2.264 6.971 32.659 1.00 53.04 C ATOM 1065 C ILE A 75 -2.511 7.426 34.093 1.00 52.52 C ATOM 1066 O ILE A 75 -3.494 7.033 34.719 1.00 35.43 O ATOM 1067 CB ILE A 75 -1.184 5.874 32.659 1.00 23.32 C ATOM 1068 CG1 ILE A 75 -1.005 5.303 31.251 1.00 61.31 C ATOM 1069 CG2 ILE A 75 -1.549 4.771 33.641 1.00 34.23 C ATOM 1070 CD1 ILE A 75 0.207 4.408 31.111 1.00 53.00 C ATOM 0 H ILE A 75 -0.961 8.479 32.007 1.00 30.21 H new ATOM 0 HA ILE A 75 -3.186 6.561 32.247 1.00 53.04 H new ATOM 0 HB ILE A 75 -0.239 6.316 32.974 1.00 23.32 H new ATOM 0 HG12 ILE A 75 -1.897 4.738 30.981 1.00 61.31 H new ATOM 0 HG13 ILE A 75 -0.922 6.126 30.542 1.00 61.31 H new ATOM 0 HG21 ILE A 75 -0.776 4.003 33.629 1.00 34.23 H new ATOM 0 HG22 ILE A 75 -1.630 5.189 34.644 1.00 34.23 H new ATOM 0 HG23 ILE A 75 -2.503 4.329 33.354 1.00 34.23 H new ATOM 0 HD11 ILE A 75 0.271 4.039 30.087 1.00 53.00 H new ATOM 0 HD12 ILE A 75 1.107 4.975 31.349 1.00 53.00 H new ATOM 0 HD13 ILE A 75 0.117 3.564 31.795 1.00 53.00 H new ATOM 1082 N ALA A 76 -1.613 8.260 34.606 1.00 5.20 N ATOM 1083 CA ALA A 76 -1.735 8.773 35.965 1.00 24.10 C ATOM 1084 C ALA A 76 -1.813 10.296 35.972 1.00 24.23 C ATOM 1085 O ALA A 76 -1.524 10.946 34.968 1.00 1.40 O ATOM 1086 CB ALA A 76 -0.566 8.298 36.815 1.00 5.22 C ATOM 0 H ALA A 76 -0.793 8.595 34.101 1.00 5.20 H new ATOM 0 HA ALA A 76 -2.661 8.386 36.391 1.00 24.10 H new ATOM 0 HB1 ALA A 76 -0.670 8.688 37.827 1.00 5.22 H new ATOM 0 HB2 ALA A 76 -0.557 7.208 36.845 1.00 5.22 H new ATOM 0 HB3 ALA A 76 0.368 8.656 36.382 1.00 5.22 H new ATOM 1092 N SER A 77 -2.205 10.858 37.111 1.00 51.21 N ATOM 1093 CA SER A 77 -2.325 12.305 37.247 1.00 14.01 C ATOM 1094 C SER A 77 -0.964 12.979 37.105 1.00 11.14 C ATOM 1095 O SER A 77 0.020 12.344 36.728 1.00 34.33 O ATOM 1096 CB SER A 77 -2.945 12.661 38.600 1.00 53.44 C ATOM 1097 OG SER A 77 -2.092 12.286 39.667 1.00 44.34 O ATOM 0 H SER A 77 -2.445 10.334 37.952 1.00 51.21 H new ATOM 0 HA SER A 77 -2.975 12.668 36.451 1.00 14.01 H new ATOM 0 HB2 SER A 77 -3.138 13.733 38.644 1.00 53.44 H new ATOM 0 HB3 SER A 77 -3.907 12.159 38.706 1.00 53.44 H new ATOM 0 HG SER A 77 -2.510 12.526 40.520 1.00 44.34 H new ATOM 1103 N GLY A 78 -0.916 14.272 37.411 1.00 12.31 N ATOM 1104 CA GLY A 78 0.328 15.012 37.312 1.00 42.43 C ATOM 1105 C GLY A 78 0.354 15.945 36.117 1.00 10.54 C ATOM 1106 O GLY A 78 -0.456 15.814 35.201 1.00 61.41 O ATOM 0 H GLY A 78 -1.717 14.820 37.726 1.00 12.31 H new ATOM 0 HA2 GLY A 78 0.477 15.590 38.224 1.00 42.43 H new ATOM 0 HA3 GLY A 78 1.160 14.311 37.240 1.00 42.43 H new ATOM 1110 N ASN A 79 1.286 16.893 36.128 1.00 23.44 N ATOM 1111 CA ASN A 79 1.413 17.853 35.038 1.00 12.45 C ATOM 1112 C ASN A 79 2.777 17.737 34.366 1.00 23.21 C ATOM 1113 O ASN A 79 3.611 18.640 34.436 1.00 12.33 O ATOM 1114 CB ASN A 79 1.209 19.277 35.560 1.00 55.33 C ATOM 1115 CG ASN A 79 0.185 19.343 36.677 1.00 73.24 C ATOM 1116 OD1 ASN A 79 -0.794 18.595 36.682 1.00 44.55 O ATOM 1117 ND2 ASN A 79 0.406 20.240 37.630 1.00 2.21 N ATOM 0 H ASN A 79 1.964 17.017 36.880 1.00 23.44 H new ATOM 0 HA ASN A 79 0.644 17.629 34.299 1.00 12.45 H new ATOM 0 HB2 ASN A 79 2.160 19.669 35.920 1.00 55.33 H new ATOM 0 HB3 ASN A 79 0.889 19.919 34.739 1.00 55.33 H new ATOM 0 HD21 ASN A 79 -0.249 20.330 38.407 1.00 2.21 H new ATOM 0 HD22 ASN A 79 1.230 20.839 37.585 1.00 2.21 H new ATOM 1124 N PRO A 80 3.012 16.598 33.698 1.00 63.13 N ATOM 1125 CA PRO A 80 4.274 16.336 32.999 1.00 51.24 C ATOM 1126 C PRO A 80 4.444 17.212 31.762 1.00 72.10 C ATOM 1127 O PRO A 80 3.508 17.887 31.332 1.00 35.32 O ATOM 1128 CB PRO A 80 4.159 14.863 32.599 1.00 51.01 C ATOM 1129 CG PRO A 80 2.694 14.604 32.523 1.00 13.32 C ATOM 1130 CD PRO A 80 2.064 15.478 33.573 1.00 41.25 C ATOM 0 HA PRO A 80 5.139 16.556 33.624 1.00 51.24 H new ATOM 0 HB2 PRO A 80 4.645 14.674 31.642 1.00 51.01 H new ATOM 0 HB3 PRO A 80 4.638 14.215 33.333 1.00 51.01 H new ATOM 0 HG2 PRO A 80 2.306 14.843 31.533 1.00 13.32 H new ATOM 0 HG3 PRO A 80 2.474 13.552 32.707 1.00 13.32 H new ATOM 0 HD2 PRO A 80 1.075 15.821 33.270 1.00 41.25 H new ATOM 0 HD3 PRO A 80 1.942 14.947 34.517 1.00 41.25 H new ATOM 1138 N THR A 81 5.645 17.197 31.192 1.00 30.02 N ATOM 1139 CA THR A 81 5.938 17.990 30.005 1.00 12.22 C ATOM 1140 C THR A 81 6.302 17.098 28.824 1.00 53.22 C ATOM 1141 O THR A 81 7.189 16.250 28.925 1.00 42.54 O ATOM 1142 CB THR A 81 7.090 18.980 30.261 1.00 63.31 C ATOM 1143 OG1 THR A 81 7.138 19.328 31.649 1.00 53.30 O ATOM 1144 CG2 THR A 81 6.920 20.237 29.422 1.00 13.55 C ATOM 0 H THR A 81 6.431 16.644 31.534 1.00 30.02 H new ATOM 0 HA THR A 81 5.034 18.550 29.768 1.00 12.22 H new ATOM 0 HB THR A 81 8.025 18.497 29.976 1.00 63.31 H new ATOM 0 HG1 THR A 81 7.874 19.956 31.803 1.00 53.30 H new ATOM 0 HG21 THR A 81 7.745 20.921 29.620 1.00 13.55 H new ATOM 0 HG22 THR A 81 6.915 19.971 28.365 1.00 13.55 H new ATOM 0 HG23 THR A 81 5.978 20.721 29.679 1.00 13.55 H new ATOM 1152 N ILE A 82 5.612 17.295 27.705 1.00 31.14 N ATOM 1153 CA ILE A 82 5.865 16.509 26.504 1.00 32.23 C ATOM 1154 C ILE A 82 6.716 17.287 25.507 1.00 43.00 C ATOM 1155 O ILE A 82 6.300 18.329 25.001 1.00 51.43 O ATOM 1156 CB ILE A 82 4.551 16.087 25.821 1.00 72.42 C ATOM 1157 CG1 ILE A 82 3.632 15.385 26.823 1.00 73.02 C ATOM 1158 CG2 ILE A 82 4.839 15.180 24.633 1.00 11.23 C ATOM 1159 CD1 ILE A 82 2.314 16.097 27.035 1.00 30.32 C ATOM 0 H ILE A 82 4.874 17.992 27.606 1.00 31.14 H new ATOM 0 HA ILE A 82 6.405 15.616 26.819 1.00 32.23 H new ATOM 0 HB ILE A 82 4.045 16.981 25.457 1.00 72.42 H new ATOM 0 HG12 ILE A 82 3.436 14.371 26.475 1.00 73.02 H new ATOM 0 HG13 ILE A 82 4.148 15.300 27.779 1.00 73.02 H new ATOM 0 HG21 ILE A 82 3.900 14.890 24.161 1.00 11.23 H new ATOM 0 HG22 ILE A 82 5.459 15.712 23.911 1.00 11.23 H new ATOM 0 HG23 ILE A 82 5.364 14.288 24.975 1.00 11.23 H new ATOM 0 HD11 ILE A 82 1.714 15.544 27.757 1.00 30.32 H new ATOM 0 HD12 ILE A 82 2.500 17.102 27.413 1.00 30.32 H new ATOM 0 HD13 ILE A 82 1.777 16.159 26.088 1.00 30.32 H new ATOM 1171 N ILE A 83 7.909 16.773 25.228 1.00 23.11 N ATOM 1172 CA ILE A 83 8.818 17.418 24.289 1.00 41.21 C ATOM 1173 C ILE A 83 8.631 16.870 22.878 1.00 13.41 C ATOM 1174 O ILE A 83 8.395 15.677 22.691 1.00 40.21 O ATOM 1175 CB ILE A 83 10.288 17.231 24.709 1.00 50.30 C ATOM 1176 CG1 ILE A 83 10.500 17.733 26.139 1.00 62.21 C ATOM 1177 CG2 ILE A 83 11.211 17.960 23.744 1.00 64.41 C ATOM 1178 CD1 ILE A 83 10.122 19.185 26.332 1.00 22.33 C ATOM 0 H ILE A 83 8.269 15.912 25.639 1.00 23.11 H new ATOM 0 HA ILE A 83 8.578 18.481 24.298 1.00 41.21 H new ATOM 0 HB ILE A 83 10.527 16.168 24.678 1.00 50.30 H new ATOM 0 HG12 ILE A 83 9.912 17.119 26.822 1.00 62.21 H new ATOM 0 HG13 ILE A 83 11.547 17.599 26.411 1.00 62.21 H new ATOM 0 HG21 ILE A 83 12.246 17.819 24.054 1.00 64.41 H new ATOM 0 HG22 ILE A 83 11.075 17.561 22.739 1.00 64.41 H new ATOM 0 HG23 ILE A 83 10.973 19.024 23.747 1.00 64.41 H new ATOM 0 HD11 ILE A 83 10.298 19.472 27.369 1.00 22.33 H new ATOM 0 HD12 ILE A 83 10.727 19.809 25.675 1.00 22.33 H new ATOM 0 HD13 ILE A 83 9.068 19.321 26.092 1.00 22.33 H new ATOM 1190 N ALA A 84 8.739 17.751 21.888 1.00 31.33 N ATOM 1191 CA ALA A 84 8.585 17.355 20.494 1.00 64.21 C ATOM 1192 C ALA A 84 9.826 17.711 19.682 1.00 1.32 C ATOM 1193 O ALA A 84 10.326 18.835 19.753 1.00 61.42 O ATOM 1194 CB ALA A 84 7.352 18.011 19.892 1.00 52.23 C ATOM 0 H ALA A 84 8.932 18.743 22.026 1.00 31.33 H new ATOM 0 HA ALA A 84 8.459 16.273 20.461 1.00 64.21 H new ATOM 0 HB1 ALA A 84 7.250 17.706 18.851 1.00 52.23 H new ATOM 0 HB2 ALA A 84 6.467 17.703 20.449 1.00 52.23 H new ATOM 0 HB3 ALA A 84 7.454 19.095 19.944 1.00 52.23 H new ATOM 1200 N THR A 85 10.320 16.748 18.911 1.00 24.41 N ATOM 1201 CA THR A 85 11.504 16.959 18.087 1.00 11.35 C ATOM 1202 C THR A 85 11.231 16.601 16.631 1.00 25.11 C ATOM 1203 O THR A 85 10.792 15.492 16.326 1.00 22.23 O ATOM 1204 CB THR A 85 12.697 16.128 18.594 1.00 22.54 C ATOM 1205 OG1 THR A 85 12.381 15.537 19.860 1.00 15.30 O ATOM 1206 CG2 THR A 85 13.941 16.993 18.730 1.00 62.55 C ATOM 0 H THR A 85 9.918 15.813 18.840 1.00 24.41 H new ATOM 0 HA THR A 85 11.753 18.018 18.157 1.00 11.35 H new ATOM 0 HB THR A 85 12.898 15.342 17.866 1.00 22.54 H new ATOM 0 HG1 THR A 85 13.144 15.009 20.174 1.00 15.30 H new ATOM 0 HG21 THR A 85 14.770 16.384 19.090 1.00 62.55 H new ATOM 0 HG22 THR A 85 14.197 17.418 17.759 1.00 62.55 H new ATOM 0 HG23 THR A 85 13.748 17.798 19.439 1.00 62.55 H new ATOM 1214 N TYR A 86 11.495 17.545 15.735 1.00 2.41 N ATOM 1215 CA TYR A 86 11.277 17.329 14.310 1.00 54.32 C ATOM 1216 C TYR A 86 12.200 18.213 13.477 1.00 63.21 C ATOM 1217 O TYR A 86 11.978 19.416 13.349 1.00 43.02 O ATOM 1218 CB TYR A 86 9.818 17.613 13.947 1.00 11.14 C ATOM 1219 CG TYR A 86 9.188 18.705 14.783 1.00 72.25 C ATOM 1220 CD1 TYR A 86 9.319 20.042 14.428 1.00 65.41 C ATOM 1221 CD2 TYR A 86 8.460 18.399 15.926 1.00 72.01 C ATOM 1222 CE1 TYR A 86 8.746 21.042 15.189 1.00 42.15 C ATOM 1223 CE2 TYR A 86 7.882 19.393 16.692 1.00 73.13 C ATOM 1224 CZ TYR A 86 8.028 20.713 16.319 1.00 21.12 C ATOM 1225 OH TYR A 86 7.454 21.707 17.079 1.00 62.43 O ATOM 0 H TYR A 86 11.860 18.468 15.970 1.00 2.41 H new ATOM 0 HA TYR A 86 11.504 16.286 14.088 1.00 54.32 H new ATOM 0 HB2 TYR A 86 9.762 17.894 12.895 1.00 11.14 H new ATOM 0 HB3 TYR A 86 9.238 16.697 14.064 1.00 11.14 H new ATOM 0 HD1 TYR A 86 9.878 20.304 13.542 1.00 65.41 H new ATOM 0 HD2 TYR A 86 8.344 17.367 16.221 1.00 72.01 H new ATOM 0 HE1 TYR A 86 8.860 22.076 14.900 1.00 42.15 H new ATOM 0 HE2 TYR A 86 7.319 19.138 17.578 1.00 73.13 H new ATOM 0 HH TYR A 86 7.369 22.522 16.541 1.00 62.43 H new ATOM 1235 N GLY A 87 13.239 17.605 12.911 1.00 33.32 N ATOM 1236 CA GLY A 87 14.181 18.349 12.097 1.00 42.51 C ATOM 1237 C GLY A 87 14.952 19.380 12.898 1.00 22.42 C ATOM 1238 O GLY A 87 15.524 19.063 13.941 1.00 5.41 O ATOM 0 H GLY A 87 13.444 16.610 13.002 1.00 33.32 H new ATOM 0 HA2 GLY A 87 14.882 17.656 11.633 1.00 42.51 H new ATOM 0 HA3 GLY A 87 13.644 18.848 11.290 1.00 42.51 H new ATOM 1242 N SER A 88 14.969 20.616 12.410 1.00 70.34 N ATOM 1243 CA SER A 88 15.680 21.695 13.085 1.00 64.24 C ATOM 1244 C SER A 88 14.743 22.473 14.003 1.00 75.14 C ATOM 1245 O SER A 88 15.142 23.453 14.631 1.00 2.21 O ATOM 1246 CB SER A 88 16.308 22.640 12.059 1.00 44.14 C ATOM 1247 OG SER A 88 17.696 22.391 11.918 1.00 23.21 O ATOM 0 H SER A 88 14.498 20.895 11.549 1.00 70.34 H new ATOM 0 HA SER A 88 16.470 21.252 13.692 1.00 64.24 H new ATOM 0 HB2 SER A 88 15.814 22.516 11.096 1.00 44.14 H new ATOM 0 HB3 SER A 88 16.150 23.673 12.368 1.00 44.14 H new ATOM 0 HG SER A 88 18.073 23.007 11.255 1.00 23.21 H new ATOM 1253 N VAL A 89 13.492 22.028 14.075 1.00 52.54 N ATOM 1254 CA VAL A 89 12.496 22.681 14.916 1.00 52.20 C ATOM 1255 C VAL A 89 11.956 21.724 15.973 1.00 64.34 C ATOM 1256 O VAL A 89 11.826 20.524 15.729 1.00 1.03 O ATOM 1257 CB VAL A 89 11.320 23.220 14.079 1.00 23.11 C ATOM 1258 CG1 VAL A 89 10.441 24.134 14.919 1.00 21.52 C ATOM 1259 CG2 VAL A 89 11.834 23.947 12.846 1.00 41.13 C ATOM 0 H VAL A 89 13.145 21.218 13.561 1.00 52.54 H new ATOM 0 HA VAL A 89 12.996 23.516 15.407 1.00 52.20 H new ATOM 0 HB VAL A 89 10.714 22.376 13.749 1.00 23.11 H new ATOM 0 HG11 VAL A 89 9.616 24.505 14.311 1.00 21.52 H new ATOM 0 HG12 VAL A 89 10.044 23.578 15.768 1.00 21.52 H new ATOM 0 HG13 VAL A 89 11.032 24.975 15.281 1.00 21.52 H new ATOM 0 HG21 VAL A 89 10.990 24.321 12.266 1.00 41.13 H new ATOM 0 HG22 VAL A 89 12.463 24.783 13.152 1.00 41.13 H new ATOM 0 HG23 VAL A 89 12.418 23.259 12.235 1.00 41.13 H new ATOM 1269 N SER A 90 11.644 22.262 17.147 1.00 53.21 N ATOM 1270 CA SER A 90 11.121 21.455 18.243 1.00 31.00 C ATOM 1271 C SER A 90 10.047 22.216 19.014 1.00 11.21 C ATOM 1272 O SER A 90 10.056 23.445 19.063 1.00 12.44 O ATOM 1273 CB SER A 90 12.252 21.048 19.189 1.00 21.12 C ATOM 1274 OG SER A 90 13.428 21.795 18.930 1.00 52.51 O ATOM 0 H SER A 90 11.744 23.254 17.364 1.00 53.21 H new ATOM 0 HA SER A 90 10.671 20.558 17.818 1.00 31.00 H new ATOM 0 HB2 SER A 90 11.940 21.202 20.222 1.00 21.12 H new ATOM 0 HB3 SER A 90 12.461 19.984 19.075 1.00 21.12 H new ATOM 0 HG SER A 90 14.135 21.517 19.549 1.00 52.51 H new ATOM 1280 N GLY A 91 9.121 21.475 19.615 1.00 21.14 N ATOM 1281 CA GLY A 91 8.053 22.096 20.376 1.00 35.20 C ATOM 1282 C GLY A 91 7.884 21.478 21.750 1.00 71.32 C ATOM 1283 O GLY A 91 8.739 20.721 22.206 1.00 24.32 O ATOM 0 H GLY A 91 9.092 20.456 19.588 1.00 21.14 H new ATOM 0 HA2 GLY A 91 8.259 23.161 20.483 1.00 35.20 H new ATOM 0 HA3 GLY A 91 7.118 22.006 19.823 1.00 35.20 H new ATOM 1287 N ASN A 92 6.778 21.802 22.411 1.00 12.34 N ATOM 1288 CA ASN A 92 6.501 21.275 23.743 1.00 50.23 C ATOM 1289 C ASN A 92 5.070 21.591 24.166 1.00 13.21 C ATOM 1290 O ASN A 92 4.555 22.677 23.895 1.00 20.22 O ATOM 1291 CB ASN A 92 7.486 21.857 24.759 1.00 34.21 C ATOM 1292 CG ASN A 92 7.120 23.269 25.175 1.00 24.43 C ATOM 1293 OD1 ASN A 92 6.463 23.477 26.195 1.00 21.53 O ATOM 1294 ND2 ASN A 92 7.546 24.247 24.385 1.00 43.10 N ATOM 0 H ASN A 92 6.059 22.427 22.047 1.00 12.34 H new ATOM 0 HA ASN A 92 6.620 20.192 23.711 1.00 50.23 H new ATOM 0 HB2 ASN A 92 7.515 21.217 25.641 1.00 34.21 H new ATOM 0 HB3 ASN A 92 8.489 21.855 24.331 1.00 34.21 H new ATOM 0 HD21 ASN A 92 7.331 25.218 24.614 1.00 43.10 H new ATOM 0 HD22 ASN A 92 8.088 24.028 23.549 1.00 43.10 H new ATOM 1301 N THR A 93 4.431 20.635 24.833 1.00 11.14 N ATOM 1302 CA THR A 93 3.059 20.810 25.294 1.00 4.42 C ATOM 1303 C THR A 93 2.890 20.302 26.721 1.00 13.44 C ATOM 1304 O THR A 93 3.422 19.253 27.084 1.00 61.21 O ATOM 1305 CB THR A 93 2.061 20.077 24.378 1.00 1.34 C ATOM 1306 OG1 THR A 93 0.721 20.317 24.823 1.00 42.31 O ATOM 1307 CG2 THR A 93 2.336 18.581 24.366 1.00 43.22 C ATOM 0 H THR A 93 4.842 19.731 25.066 1.00 11.14 H new ATOM 0 HA THR A 93 2.849 21.879 25.265 1.00 4.42 H new ATOM 0 HB THR A 93 2.182 20.461 23.365 1.00 1.34 H new ATOM 0 HG1 THR A 93 0.102 19.746 24.321 1.00 42.31 H new ATOM 0 HG21 THR A 93 1.619 18.084 23.712 1.00 43.22 H new ATOM 0 HG22 THR A 93 3.347 18.400 24.000 1.00 43.22 H new ATOM 0 HG23 THR A 93 2.240 18.185 25.377 1.00 43.22 H new ATOM 1315 N ILE A 94 2.145 21.052 27.527 1.00 41.32 N ATOM 1316 CA ILE A 94 1.904 20.676 28.914 1.00 24.12 C ATOM 1317 C ILE A 94 0.443 20.301 29.137 1.00 50.45 C ATOM 1318 O ILE A 94 -0.464 20.981 28.654 1.00 0.22 O ATOM 1319 CB ILE A 94 2.284 21.814 29.880 1.00 33.12 C ATOM 1320 CG1 ILE A 94 1.665 23.134 29.416 1.00 34.10 C ATOM 1321 CG2 ILE A 94 3.796 21.939 29.983 1.00 4.20 C ATOM 1322 CD1 ILE A 94 1.492 24.144 30.528 1.00 10.43 C ATOM 0 H ILE A 94 1.698 21.924 27.243 1.00 41.32 H new ATOM 0 HA ILE A 94 2.534 19.810 29.120 1.00 24.12 H new ATOM 0 HB ILE A 94 1.891 21.578 30.869 1.00 33.12 H new ATOM 0 HG12 ILE A 94 2.293 23.567 28.638 1.00 34.10 H new ATOM 0 HG13 ILE A 94 0.693 22.932 28.965 1.00 34.10 H new ATOM 0 HG21 ILE A 94 4.048 22.747 30.669 1.00 4.20 H new ATOM 0 HG22 ILE A 94 4.214 21.004 30.355 1.00 4.20 H new ATOM 0 HG23 ILE A 94 4.211 22.156 28.999 1.00 4.20 H new ATOM 0 HD11 ILE A 94 1.048 25.055 30.126 1.00 10.43 H new ATOM 0 HD12 ILE A 94 0.839 23.731 31.297 1.00 10.43 H new ATOM 0 HD13 ILE A 94 2.464 24.376 30.964 1.00 10.43 H new ATOM 1334 N LEU A 95 0.221 19.217 29.871 1.00 22.00 N ATOM 1335 CA LEU A 95 -1.131 18.752 30.160 1.00 60.00 C ATOM 1336 C LEU A 95 -1.309 18.489 31.652 1.00 54.41 C ATOM 1337 O LEU A 95 -0.429 17.927 32.305 1.00 52.34 O ATOM 1338 CB LEU A 95 -1.434 17.480 29.367 1.00 73.32 C ATOM 1339 CG LEU A 95 -2.652 16.677 29.826 1.00 22.42 C ATOM 1340 CD1 LEU A 95 -3.903 17.540 29.795 1.00 34.12 C ATOM 1341 CD2 LEU A 95 -2.833 15.440 28.958 1.00 32.24 C ATOM 0 H LEU A 95 0.960 18.643 30.277 1.00 22.00 H new ATOM 0 HA LEU A 95 -1.829 19.534 29.862 1.00 60.00 H new ATOM 0 HB2 LEU A 95 -1.577 17.753 28.321 1.00 73.32 H new ATOM 0 HB3 LEU A 95 -0.559 16.832 29.410 1.00 73.32 H new ATOM 0 HG LEU A 95 -2.484 16.354 30.853 1.00 22.42 H new ATOM 0 HD11 LEU A 95 -4.759 16.952 30.125 1.00 34.12 H new ATOM 0 HD12 LEU A 95 -3.772 18.394 30.459 1.00 34.12 H new ATOM 0 HD13 LEU A 95 -4.076 17.894 28.779 1.00 34.12 H new ATOM 0 HD21 LEU A 95 -3.704 14.881 29.299 1.00 32.24 H new ATOM 0 HD22 LEU A 95 -2.978 15.742 27.921 1.00 32.24 H new ATOM 0 HD23 LEU A 95 -1.946 14.811 29.032 1.00 32.24 H new ATOM 1353 N THR A 96 -2.456 18.898 32.187 1.00 41.33 N ATOM 1354 CA THR A 96 -2.751 18.707 33.601 1.00 22.40 C ATOM 1355 C THR A 96 -3.850 17.669 33.798 1.00 55.43 C ATOM 1356 O THR A 96 -5.016 17.920 33.490 1.00 20.51 O ATOM 1357 CB THR A 96 -3.180 20.026 34.269 1.00 12.42 C ATOM 1358 OG1 THR A 96 -2.267 21.073 33.919 1.00 73.51 O ATOM 1359 CG2 THR A 96 -3.230 19.876 35.782 1.00 33.31 C ATOM 0 H THR A 96 -3.196 19.364 31.661 1.00 41.33 H new ATOM 0 HA THR A 96 -1.833 18.353 34.070 1.00 22.40 H new ATOM 0 HB THR A 96 -4.178 20.280 33.911 1.00 12.42 H new ATOM 0 HG1 THR A 96 -2.451 21.864 34.467 1.00 73.51 H new ATOM 0 HG21 THR A 96 -3.535 20.821 36.231 1.00 33.31 H new ATOM 0 HG22 THR A 96 -3.947 19.099 36.047 1.00 33.31 H new ATOM 0 HG23 THR A 96 -2.243 19.600 36.153 1.00 33.31 H new ATOM 1367 N VAL A 97 -3.473 16.504 34.313 1.00 22.30 N ATOM 1368 CA VAL A 97 -4.428 15.428 34.553 1.00 41.53 C ATOM 1369 C VAL A 97 -4.530 15.105 36.039 1.00 0.31 C ATOM 1370 O VAL A 97 -3.522 14.876 36.705 1.00 4.44 O ATOM 1371 CB VAL A 97 -4.038 14.151 33.786 1.00 34.53 C ATOM 1372 CG1 VAL A 97 -4.379 14.288 32.310 1.00 2.22 C ATOM 1373 CG2 VAL A 97 -2.560 13.847 33.975 1.00 62.42 C ATOM 0 H VAL A 97 -2.512 16.280 34.573 1.00 22.30 H new ATOM 0 HA VAL A 97 -5.396 15.777 34.194 1.00 41.53 H new ATOM 0 HB VAL A 97 -4.611 13.317 34.190 1.00 34.53 H new ATOM 0 HG11 VAL A 97 -4.096 13.376 31.785 1.00 2.22 H new ATOM 0 HG12 VAL A 97 -5.451 14.454 32.198 1.00 2.22 H new ATOM 0 HG13 VAL A 97 -3.835 15.133 31.888 1.00 2.22 H new ATOM 0 HG21 VAL A 97 -2.302 12.941 33.426 1.00 62.42 H new ATOM 0 HG22 VAL A 97 -1.966 14.680 33.600 1.00 62.42 H new ATOM 0 HG23 VAL A 97 -2.351 13.701 35.035 1.00 62.42 H new ATOM 1383 N ASN A 98 -5.756 15.088 36.553 1.00 42.15 N ATOM 1384 CA ASN A 98 -5.990 14.793 37.961 1.00 33.33 C ATOM 1385 C ASN A 98 -6.494 13.364 38.141 1.00 30.10 C ATOM 1386 O ASN A 98 -7.382 13.104 38.953 1.00 54.10 O ATOM 1387 CB ASN A 98 -7.001 15.779 38.549 1.00 0.54 C ATOM 1388 CG ASN A 98 -6.425 17.173 38.705 1.00 5.43 C ATOM 1389 OD1 ASN A 98 -5.809 17.492 39.723 1.00 43.35 O ATOM 1390 ND2 ASN A 98 -6.623 18.012 37.695 1.00 64.12 N ATOM 0 H ASN A 98 -6.602 15.275 36.015 1.00 42.15 H new ATOM 0 HA ASN A 98 -5.042 14.895 38.490 1.00 33.33 H new ATOM 0 HB2 ASN A 98 -7.879 15.822 37.905 1.00 0.54 H new ATOM 0 HB3 ASN A 98 -7.335 15.416 39.521 1.00 0.54 H new ATOM 0 HD21 ASN A 98 -6.259 18.964 37.744 1.00 64.12 H new ATOM 0 HD22 ASN A 98 -7.139 17.705 36.871 1.00 64.12 H new ATOM 1397 N LYS A 99 -5.920 12.440 37.378 1.00 31.31 N ATOM 1398 CA LYS A 99 -6.308 11.036 37.453 1.00 0.20 C ATOM 1399 C LYS A 99 -5.930 10.439 38.805 1.00 71.34 C ATOM 1400 O LYS A 99 -4.782 10.050 39.025 1.00 75.22 O ATOM 1401 CB LYS A 99 -5.642 10.241 36.328 1.00 71.02 C ATOM 1402 CG LYS A 99 -6.427 9.011 35.905 1.00 23.15 C ATOM 1403 CD LYS A 99 -5.987 7.777 36.676 1.00 43.32 C ATOM 1404 CE LYS A 99 -6.695 6.527 36.178 1.00 72.05 C ATOM 1405 NZ LYS A 99 -6.100 6.020 34.911 1.00 65.45 N ATOM 0 H LYS A 99 -5.184 12.638 36.700 1.00 31.31 H new ATOM 0 HA LYS A 99 -7.390 10.977 37.339 1.00 0.20 H new ATOM 0 HB2 LYS A 99 -5.509 10.892 35.464 1.00 71.02 H new ATOM 0 HB3 LYS A 99 -4.647 9.934 36.651 1.00 71.02 H new ATOM 0 HG2 LYS A 99 -7.491 9.183 36.068 1.00 23.15 H new ATOM 0 HG3 LYS A 99 -6.292 8.841 34.837 1.00 23.15 H new ATOM 0 HD2 LYS A 99 -4.909 7.650 36.577 1.00 43.32 H new ATOM 0 HD3 LYS A 99 -6.195 7.916 37.737 1.00 43.32 H new ATOM 0 HE2 LYS A 99 -6.640 5.750 36.941 1.00 72.05 H new ATOM 0 HE3 LYS A 99 -7.751 6.746 36.021 1.00 72.05 H new ATOM 0 HZ1 LYS A 99 -6.228 4.989 34.855 1.00 65.45 H new ATOM 0 HZ2 LYS A 99 -6.571 6.472 34.101 1.00 65.45 H new ATOM 0 HZ3 LYS A 99 -5.085 6.244 34.890 1.00 65.45 H new ATOM 1419 N THR A 100 -6.903 10.367 39.708 1.00 71.22 N ATOM 1420 CA THR A 100 -6.673 9.816 41.037 1.00 5.34 C ATOM 1421 C THR A 100 -6.696 8.292 41.013 1.00 12.32 C ATOM 1422 O THR A 100 -6.126 7.639 41.887 1.00 3.21 O ATOM 1423 CB THR A 100 -7.725 10.319 42.044 1.00 61.23 C ATOM 1424 OG1 THR A 100 -8.106 11.662 41.725 1.00 63.13 O ATOM 1425 CG2 THR A 100 -7.185 10.263 43.465 1.00 44.43 C ATOM 0 H THR A 100 -7.858 10.684 39.543 1.00 71.22 H new ATOM 0 HA THR A 100 -5.687 10.156 41.353 1.00 5.34 H new ATOM 0 HB THR A 100 -8.598 9.669 41.979 1.00 61.23 H new ATOM 0 HG1 THR A 100 -8.776 11.974 42.369 1.00 63.13 H new ATOM 0 HG21 THR A 100 -7.946 10.623 44.158 1.00 44.43 H new ATOM 0 HG22 THR A 100 -6.924 9.235 43.715 1.00 44.43 H new ATOM 0 HG23 THR A 100 -6.298 10.891 43.542 1.00 44.43 H new ATOM 1433 N ASP A 101 -7.359 7.732 40.008 1.00 63.44 N ATOM 1434 CA ASP A 101 -7.455 6.283 39.869 1.00 50.13 C ATOM 1435 C ASP A 101 -6.096 5.678 39.530 1.00 11.12 C ATOM 1436 O ASP A 101 -5.185 6.378 39.086 1.00 55.12 O ATOM 1437 CB ASP A 101 -8.473 5.920 38.786 1.00 22.34 C ATOM 1438 CG ASP A 101 -9.818 5.527 39.365 1.00 10.30 C ATOM 1439 OD1 ASP A 101 -9.867 4.552 40.144 1.00 41.43 O ATOM 1440 OD2 ASP A 101 -10.822 6.195 39.039 1.00 72.54 O ATOM 0 H ASP A 101 -7.838 8.259 39.277 1.00 63.44 H new ATOM 0 HA ASP A 101 -7.788 5.872 40.822 1.00 50.13 H new ATOM 0 HB2 ASP A 101 -8.604 6.769 38.115 1.00 22.34 H new ATOM 0 HB3 ASP A 101 -8.084 5.097 38.187 1.00 22.34 H new ATOM 1445 N THR A 102 -5.965 4.372 39.744 1.00 12.52 N ATOM 1446 CA THR A 102 -4.717 3.673 39.464 1.00 15.43 C ATOM 1447 C THR A 102 -4.846 2.792 38.227 1.00 54.41 C ATOM 1448 O THR A 102 -3.846 2.366 37.649 1.00 33.30 O ATOM 1449 CB THR A 102 -4.282 2.802 40.658 1.00 43.34 C ATOM 1450 OG1 THR A 102 -4.228 3.595 41.849 1.00 34.20 O ATOM 1451 CG2 THR A 102 -2.921 2.173 40.400 1.00 41.02 C ATOM 0 H THR A 102 -6.708 3.777 40.110 1.00 12.52 H new ATOM 0 HA THR A 102 -3.960 4.436 39.285 1.00 15.43 H new ATOM 0 HB THR A 102 -5.015 2.006 40.785 1.00 43.34 H new ATOM 0 HG1 THR A 102 -3.952 3.034 42.604 1.00 34.20 H new ATOM 0 HG21 THR A 102 -2.634 1.563 41.256 1.00 41.02 H new ATOM 0 HG22 THR A 102 -2.972 1.547 39.509 1.00 41.02 H new ATOM 0 HG23 THR A 102 -2.180 2.958 40.250 1.00 41.02 H new TER 1459 THR A 102