USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 777 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 96 ASN : amide:sc= 0.382 K(o=0.57,f=-4.6!) USER MOD Set 1.2: A 97 SER OG : rot 77:sc= 0.192 USER MOD Set 2.1: A 79 GLN : amide:sc= 0.975 K(o=0.84,f=-7!) USER MOD Set 2.2: A 88 GLN : amide:sc= 1.33 K(o=0.84,f=-2.6) USER MOD Set 2.3: A 89 GLN : amide:sc= -1.47! C(o=0.84!,f=-9.2!) USER MOD Set 3.1: A 71 ASN : amide:sc=-0.00551 X(o=-0.0055,f=-0.26) USER MOD Set 3.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 61 THR OG1 : rot 180:sc= 0.834 USER MOD Set 4.2: A 75 TYR OH : rot 157:sc= 0.959 USER MOD Set 5.1: A 51 THR OG1 : rot 110:sc= 1.4 USER MOD Set 5.2: A 54 GLN : amide:sc= 0.913 K(o=2.3,f=0.89) USER MOD Single : A 20 SER OG : rot 14:sc= 0.707 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0.218 USER MOD Single : A 33 ASN : amide:sc= -0.0859 X(o=-0.086,f=-0.44) USER MOD Single : A 34 GLN : amide:sc= 0.541 K(o=0.54,f=-0.093) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 44 SER OG : rot 90:sc= 0.349 USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= 0.593 (180deg=0.153) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.61) USER MOD Single : A 53 GLN : amide:sc= -0.964! C(o=-0.96!,f=-9.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 70 THR OG1 : rot 133:sc= -1.58! USER MOD Single : A 80 GLN : amide:sc= -0.708 K(o=-0.71,f=-1.7) USER MOD Single : A 83 HIS : no HD1:sc= 0.0595 K(o=0.06,f=-1.1) USER MOD Single : A 87 THR OG1 : rot 43:sc= 0.522 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 98 SER OG : rot 180:sc= 0.106 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0948 USER MOD Single : A 103 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.063) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 107 LYS NZ :NH3+ -165:sc= 0.259 (180deg=-0.0128) USER MOD Single : A 111 SER OG : rot 39:sc= 0.655 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-6.3!) USER MOD Single : A 118 HIS : no HE2:sc= -0.501! C(o=-0.5!,f=-6.8!) USER MOD Single : A 119 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.023) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 121 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 20 16.182 -44.655 22.271 1.00 0.00 N ATOM 2 CA SER A 20 15.510 -45.936 22.554 1.00 0.00 C ATOM 3 C SER A 20 14.009 -45.817 22.322 1.00 0.00 C ATOM 4 O SER A 20 13.322 -45.102 23.052 1.00 0.00 O ATOM 5 CB SER A 20 15.795 -46.350 23.996 1.00 0.00 C ATOM 6 OG SER A 20 17.002 -45.760 24.462 1.00 0.00 O ATOM 0 HA SER A 20 15.896 -46.698 21.877 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.966 -46.048 24.636 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.867 -47.436 24.060 1.00 0.00 H new ATOM 0 HG SER A 20 17.277 -45.048 23.847 1.00 0.00 H new ATOM 14 N SER A 21 13.522 -46.515 21.294 1.00 0.00 N ATOM 15 CA SER A 21 12.105 -46.493 20.921 1.00 0.00 C ATOM 16 C SER A 21 11.674 -45.096 20.469 1.00 0.00 C ATOM 17 O SER A 21 12.481 -44.162 20.435 1.00 0.00 O ATOM 18 CB SER A 21 11.233 -46.971 22.089 1.00 0.00 C ATOM 19 OG SER A 21 11.778 -48.140 22.680 1.00 0.00 O ATOM 0 H SER A 21 14.097 -47.110 20.698 1.00 0.00 H new ATOM 0 HA SER A 21 11.969 -47.176 20.082 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.156 -46.182 22.837 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.223 -47.175 21.735 1.00 0.00 H new ATOM 0 HG SER A 21 11.208 -48.427 23.424 1.00 0.00 H new ATOM 25 N THR A 22 10.414 -44.958 20.093 1.00 0.00 N ATOM 26 CA THR A 22 9.883 -43.665 19.704 1.00 0.00 C ATOM 27 C THR A 22 9.210 -42.977 20.887 1.00 0.00 C ATOM 28 O THR A 22 8.399 -43.583 21.588 1.00 0.00 O ATOM 29 CB THR A 22 8.879 -43.798 18.546 1.00 0.00 C ATOM 30 OG1 THR A 22 9.187 -44.962 17.767 1.00 0.00 O ATOM 31 CG2 THR A 22 8.919 -42.561 17.660 1.00 0.00 C ATOM 0 H THR A 22 9.742 -45.724 20.049 1.00 0.00 H new ATOM 0 HA THR A 22 10.723 -43.057 19.368 1.00 0.00 H new ATOM 0 HB THR A 22 7.877 -43.896 18.964 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.544 -45.043 17.032 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.202 -42.673 16.846 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.663 -41.682 18.251 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.921 -42.441 17.247 1.00 0.00 H new ATOM 39 N LEU A 23 9.561 -41.722 21.112 1.00 0.00 N ATOM 40 CA LEU A 23 8.991 -40.952 22.203 1.00 0.00 C ATOM 41 C LEU A 23 8.291 -39.718 21.655 1.00 0.00 C ATOM 42 O LEU A 23 8.940 -38.722 21.317 1.00 0.00 O ATOM 43 CB LEU A 23 10.076 -40.545 23.204 1.00 0.00 C ATOM 44 CG LEU A 23 10.875 -41.704 23.799 1.00 0.00 C ATOM 45 CD1 LEU A 23 12.323 -41.641 23.340 1.00 0.00 C ATOM 46 CD2 LEU A 23 10.790 -41.683 25.318 1.00 0.00 C ATOM 0 H LEU A 23 10.242 -41.213 20.549 1.00 0.00 H new ATOM 0 HA LEU A 23 8.263 -41.574 22.724 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.768 -39.863 22.709 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.609 -39.990 24.018 1.00 0.00 H new ATOM 0 HG LEU A 23 10.445 -42.641 23.445 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.878 -42.473 23.773 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.363 -41.704 22.253 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.767 -40.700 23.665 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.364 -42.515 25.726 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.196 -40.743 25.692 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.748 -41.776 25.625 1.00 0.00 H new ATOM 58 N GLU A 24 6.970 -39.809 21.545 1.00 0.00 N ATOM 59 CA GLU A 24 6.147 -38.722 21.018 1.00 0.00 C ATOM 60 C GLU A 24 6.396 -37.418 21.768 1.00 0.00 C ATOM 61 O GLU A 24 6.392 -37.386 22.999 1.00 0.00 O ATOM 62 CB GLU A 24 4.667 -39.090 21.114 1.00 0.00 C ATOM 63 CG GLU A 24 3.990 -39.253 19.766 1.00 0.00 C ATOM 64 CD GLU A 24 4.499 -40.454 18.997 1.00 0.00 C ATOM 65 OE1 GLU A 24 4.937 -41.434 19.631 1.00 0.00 O ATOM 66 OE2 GLU A 24 4.459 -40.421 17.751 1.00 0.00 O ATOM 0 H GLU A 24 6.439 -40.636 21.818 1.00 0.00 H new ATOM 0 HA GLU A 24 6.423 -38.575 19.974 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.569 -40.019 21.675 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.146 -38.319 21.681 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.914 -39.351 19.914 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.150 -38.353 19.173 1.00 0.00 H new ATOM 73 N ARG A 25 6.605 -36.346 21.018 1.00 0.00 N ATOM 74 CA ARG A 25 6.843 -35.036 21.600 1.00 0.00 C ATOM 75 C ARG A 25 5.576 -34.199 21.544 1.00 0.00 C ATOM 76 O ARG A 25 4.829 -34.256 20.568 1.00 0.00 O ATOM 77 CB ARG A 25 7.969 -34.317 20.859 1.00 0.00 C ATOM 78 CG ARG A 25 9.314 -34.408 21.564 1.00 0.00 C ATOM 79 CD ARG A 25 10.381 -35.001 20.658 1.00 0.00 C ATOM 80 NE ARG A 25 10.639 -36.407 20.966 1.00 0.00 N ATOM 81 CZ ARG A 25 11.857 -36.931 21.084 1.00 0.00 C ATOM 82 NH1 ARG A 25 12.930 -36.176 20.889 1.00 0.00 N ATOM 83 NH2 ARG A 25 11.998 -38.217 21.375 1.00 0.00 N ATOM 0 H ARG A 25 6.614 -36.360 19.998 1.00 0.00 H new ATOM 0 HA ARG A 25 7.137 -35.171 22.641 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.063 -34.739 19.859 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.701 -33.267 20.738 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.623 -33.415 21.889 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.215 -35.021 22.460 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.066 -34.909 19.618 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.304 -34.431 20.763 1.00 0.00 H new ATOM 0 HE ARG A 25 9.837 -37.023 21.098 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.823 -35.191 20.648 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.862 -36.581 20.980 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.174 -38.803 21.508 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.931 -38.620 21.466 1.00 0.00 H new ATOM 97 N VAL A 26 5.333 -33.433 22.597 1.00 0.00 N ATOM 98 CA VAL A 26 4.169 -32.561 22.656 1.00 0.00 C ATOM 99 C VAL A 26 4.373 -31.338 21.771 1.00 0.00 C ATOM 100 O VAL A 26 4.877 -30.307 22.219 1.00 0.00 O ATOM 101 CB VAL A 26 3.864 -32.100 24.099 1.00 0.00 C ATOM 102 CG1 VAL A 26 2.762 -32.951 24.709 1.00 0.00 C ATOM 103 CG2 VAL A 26 5.116 -32.137 24.965 1.00 0.00 C ATOM 0 H VAL A 26 5.928 -33.398 23.425 1.00 0.00 H new ATOM 0 HA VAL A 26 3.319 -33.141 22.295 1.00 0.00 H new ATOM 0 HB VAL A 26 3.519 -31.067 24.057 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.561 -32.612 25.725 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.856 -32.858 24.109 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.078 -33.994 24.730 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.870 -31.807 25.974 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.504 -33.155 25.000 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.871 -31.475 24.541 1.00 0.00 H new ATOM 113 N VAL A 27 3.994 -31.473 20.509 1.00 0.00 N ATOM 114 CA VAL A 27 4.145 -30.401 19.535 1.00 0.00 C ATOM 115 C VAL A 27 2.899 -29.508 19.526 1.00 0.00 C ATOM 116 O VAL A 27 1.947 -29.761 20.274 1.00 0.00 O ATOM 117 CB VAL A 27 4.412 -30.987 18.124 1.00 0.00 C ATOM 118 CG1 VAL A 27 3.117 -31.426 17.449 1.00 0.00 C ATOM 119 CG2 VAL A 27 5.173 -29.995 17.254 1.00 0.00 C ATOM 0 H VAL A 27 3.575 -32.323 20.132 1.00 0.00 H new ATOM 0 HA VAL A 27 5.001 -29.790 19.819 1.00 0.00 H new ATOM 0 HB VAL A 27 5.035 -31.872 18.248 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.340 -31.832 16.462 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.632 -32.192 18.055 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.451 -30.569 17.347 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.347 -30.432 16.271 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.588 -29.081 17.147 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.130 -29.761 17.721 1.00 0.00 H new ATOM 129 N TYR A 28 2.919 -28.463 18.699 1.00 0.00 N ATOM 130 CA TYR A 28 1.793 -27.545 18.576 1.00 0.00 C ATOM 131 C TYR A 28 0.514 -28.302 18.234 1.00 0.00 C ATOM 132 O TYR A 28 0.496 -29.135 17.323 1.00 0.00 O ATOM 133 CB TYR A 28 2.082 -26.482 17.502 1.00 0.00 C ATOM 134 CG TYR A 28 0.846 -25.761 16.988 1.00 0.00 C ATOM 135 CD1 TYR A 28 0.311 -24.677 17.675 1.00 0.00 C ATOM 136 CD2 TYR A 28 0.211 -26.169 15.819 1.00 0.00 C ATOM 137 CE1 TYR A 28 -0.817 -24.025 17.214 1.00 0.00 C ATOM 138 CE2 TYR A 28 -0.915 -25.519 15.354 1.00 0.00 C ATOM 139 CZ TYR A 28 -1.425 -24.450 16.055 1.00 0.00 C ATOM 140 OH TYR A 28 -2.553 -23.806 15.597 1.00 0.00 O ATOM 0 H TYR A 28 3.712 -28.232 18.100 1.00 0.00 H new ATOM 0 HA TYR A 28 1.654 -27.047 19.535 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.773 -25.746 17.912 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.586 -26.959 16.662 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.785 -24.339 18.585 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.606 -27.008 15.266 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.220 -23.185 17.761 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.394 -25.848 14.444 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.857 -24.229 14.767 1.00 0.00 H new ATOM 150 N ARG A 29 -0.546 -28.015 18.973 1.00 0.00 N ATOM 151 CA ARG A 29 -1.841 -28.610 18.704 1.00 0.00 C ATOM 152 C ARG A 29 -2.674 -27.641 17.887 1.00 0.00 C ATOM 153 O ARG A 29 -2.735 -26.457 18.210 1.00 0.00 O ATOM 154 CB ARG A 29 -2.566 -28.959 20.007 1.00 0.00 C ATOM 155 CG ARG A 29 -3.242 -30.321 19.978 1.00 0.00 C ATOM 156 CD ARG A 29 -4.661 -30.268 20.528 1.00 0.00 C ATOM 157 NE ARG A 29 -5.275 -31.597 20.564 1.00 0.00 N ATOM 158 CZ ARG A 29 -5.294 -32.384 21.641 1.00 0.00 C ATOM 159 NH1 ARG A 29 -4.816 -31.949 22.801 1.00 0.00 N ATOM 160 NH2 ARG A 29 -5.819 -33.600 21.562 1.00 0.00 N ATOM 0 H ARG A 29 -0.533 -27.372 19.765 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.695 -29.534 18.144 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.851 -28.934 20.829 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.315 -28.194 20.213 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.264 -30.692 18.953 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.654 -31.030 20.561 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.647 -29.846 21.533 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.266 -29.603 19.911 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.716 -31.943 19.712 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.431 -31.007 22.873 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.834 -32.557 23.620 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.207 -33.932 20.679 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.834 -34.203 22.384 1.00 0.00 H new ATOM 174 N PRO A 30 -3.301 -28.127 16.806 1.00 0.00 N ATOM 175 CA PRO A 30 -4.113 -27.296 15.913 1.00 0.00 C ATOM 176 C PRO A 30 -5.211 -26.553 16.666 1.00 0.00 C ATOM 177 O PRO A 30 -6.259 -27.121 16.993 1.00 0.00 O ATOM 178 CB PRO A 30 -4.718 -28.297 14.917 1.00 0.00 C ATOM 179 CG PRO A 30 -4.510 -29.638 15.534 1.00 0.00 C ATOM 180 CD PRO A 30 -3.271 -29.527 16.370 1.00 0.00 C ATOM 0 HA PRO A 30 -3.519 -26.520 15.430 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.777 -28.099 14.754 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.228 -28.230 13.946 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.367 -29.923 16.144 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.395 -30.405 14.768 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.290 -30.215 17.215 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.373 -29.753 15.795 1.00 0.00 H new ATOM 188 N ASP A 31 -4.946 -25.288 16.958 1.00 0.00 N ATOM 189 CA ASP A 31 -5.888 -24.450 17.686 1.00 0.00 C ATOM 190 C ASP A 31 -7.147 -24.218 16.859 1.00 0.00 C ATOM 191 O ASP A 31 -7.124 -24.289 15.628 1.00 0.00 O ATOM 192 CB ASP A 31 -5.240 -23.116 18.046 1.00 0.00 C ATOM 193 CG ASP A 31 -5.932 -22.406 19.194 1.00 0.00 C ATOM 194 OD1 ASP A 31 -6.807 -23.015 19.843 1.00 0.00 O ATOM 195 OD2 ASP A 31 -5.602 -21.229 19.453 1.00 0.00 O ATOM 0 H ASP A 31 -4.079 -24.816 16.700 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.168 -24.964 18.606 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.196 -23.286 18.309 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.247 -22.468 17.170 1.00 0.00 H new ATOM 200 N ILE A 32 -8.237 -23.931 17.538 1.00 0.00 N ATOM 201 CA ILE A 32 -9.525 -23.816 16.883 1.00 0.00 C ATOM 202 C ILE A 32 -9.874 -22.363 16.599 1.00 0.00 C ATOM 203 O ILE A 32 -9.584 -21.476 17.406 1.00 0.00 O ATOM 204 CB ILE A 32 -10.652 -24.473 17.705 1.00 0.00 C ATOM 205 CG1 ILE A 32 -10.095 -25.193 18.940 1.00 0.00 C ATOM 206 CG2 ILE A 32 -11.398 -25.454 16.822 1.00 0.00 C ATOM 207 CD1 ILE A 32 -9.831 -24.279 20.119 1.00 0.00 C ATOM 0 H ILE A 32 -8.258 -23.773 18.545 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.440 -24.349 15.936 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.330 -23.695 18.055 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.799 -25.968 19.244 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.167 -25.695 18.667 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.197 -25.924 17.395 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.825 -24.925 15.970 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.709 -26.219 16.465 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.439 -24.863 20.952 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.103 -23.519 19.834 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.761 -23.796 20.420 1.00 0.00 H new ATOM 219 N ASN A 33 -10.498 -22.145 15.441 1.00 0.00 N ATOM 220 CA ASN A 33 -10.805 -20.811 14.917 1.00 0.00 C ATOM 221 C ASN A 33 -9.525 -20.097 14.496 1.00 0.00 C ATOM 222 O ASN A 33 -9.310 -19.861 13.305 1.00 0.00 O ATOM 223 CB ASN A 33 -11.597 -19.959 15.917 1.00 0.00 C ATOM 224 CG ASN A 33 -12.507 -18.966 15.216 1.00 0.00 C ATOM 225 OD1 ASN A 33 -13.248 -19.321 14.300 1.00 0.00 O ATOM 226 ND2 ASN A 33 -12.459 -17.716 15.641 1.00 0.00 N ATOM 0 H ASN A 33 -10.810 -22.900 14.831 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.441 -20.946 14.042 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.193 -20.610 16.556 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.905 -19.422 16.566 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.050 -17.007 15.207 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.831 -17.460 16.403 1.00 0.00 H new ATOM 233 N GLN A 34 -8.682 -19.772 15.476 1.00 0.00 N ATOM 234 CA GLN A 34 -7.356 -19.209 15.224 1.00 0.00 C ATOM 235 C GLN A 34 -7.427 -17.934 14.387 1.00 0.00 C ATOM 236 O GLN A 34 -6.561 -17.675 13.548 1.00 0.00 O ATOM 237 CB GLN A 34 -6.477 -20.254 14.534 1.00 0.00 C ATOM 238 CG GLN A 34 -5.589 -21.029 15.489 1.00 0.00 C ATOM 239 CD GLN A 34 -4.343 -20.263 15.888 1.00 0.00 C ATOM 240 OE1 GLN A 34 -3.572 -19.823 15.034 1.00 0.00 O ATOM 241 NE2 GLN A 34 -4.134 -20.102 17.186 1.00 0.00 N ATOM 0 H GLN A 34 -8.899 -19.891 16.466 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.916 -18.939 16.184 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.115 -20.955 13.996 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.852 -19.757 13.792 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.158 -21.279 16.384 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.297 -21.970 15.023 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.798 -20.482 17.861 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.309 -19.598 17.511 1.00 0.00 H new ATOM 250 N GLY A 35 -8.458 -17.135 14.625 1.00 0.00 N ATOM 251 CA GLY A 35 -8.606 -15.884 13.911 1.00 0.00 C ATOM 252 C GLY A 35 -7.763 -14.791 14.527 1.00 0.00 C ATOM 253 O GLY A 35 -8.286 -13.867 15.156 1.00 0.00 O ATOM 0 H GLY A 35 -9.196 -17.332 15.301 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.319 -16.023 12.869 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.654 -15.583 13.916 1.00 0.00 H new ATOM 257 N ASN A 36 -6.457 -14.906 14.359 1.00 0.00 N ATOM 258 CA ASN A 36 -5.520 -13.991 14.987 1.00 0.00 C ATOM 259 C ASN A 36 -4.694 -13.244 13.945 1.00 0.00 C ATOM 260 O ASN A 36 -4.313 -13.808 12.919 1.00 0.00 O ATOM 261 CB ASN A 36 -4.599 -14.770 15.932 1.00 0.00 C ATOM 262 CG ASN A 36 -3.634 -13.873 16.680 1.00 0.00 C ATOM 263 OD1 ASN A 36 -4.032 -12.856 17.249 1.00 0.00 O ATOM 264 ND2 ASN A 36 -2.361 -14.240 16.689 1.00 0.00 N ATOM 0 H ASN A 36 -6.019 -15.630 13.789 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.086 -13.253 15.555 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.205 -15.323 16.650 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.035 -15.505 15.358 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.670 -13.672 17.180 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.072 -15.090 16.205 1.00 0.00 H new ATOM 271 N TYR A 37 -4.441 -11.970 14.213 1.00 0.00 N ATOM 272 CA TYR A 37 -3.589 -11.154 13.357 1.00 0.00 C ATOM 273 C TYR A 37 -2.200 -11.057 13.971 1.00 0.00 C ATOM 274 O TYR A 37 -1.920 -11.700 14.984 1.00 0.00 O ATOM 275 CB TYR A 37 -4.179 -9.750 13.184 1.00 0.00 C ATOM 276 CG TYR A 37 -5.554 -9.732 12.548 1.00 0.00 C ATOM 277 CD1 TYR A 37 -5.714 -9.896 11.176 1.00 0.00 C ATOM 278 CD2 TYR A 37 -6.692 -9.538 13.322 1.00 0.00 C ATOM 279 CE1 TYR A 37 -6.972 -9.874 10.597 1.00 0.00 C ATOM 280 CE2 TYR A 37 -7.949 -9.517 12.751 1.00 0.00 C ATOM 281 CZ TYR A 37 -8.085 -9.681 11.390 1.00 0.00 C ATOM 282 OH TYR A 37 -9.339 -9.652 10.818 1.00 0.00 O ATOM 0 H TYR A 37 -4.817 -11.476 15.022 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.526 -11.624 12.375 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.235 -9.268 14.160 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.500 -9.155 12.574 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.844 -10.043 10.553 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.591 -9.401 14.389 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.081 -10.007 9.531 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.823 -9.372 13.369 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.013 -9.508 11.515 1.00 0.00 H new ATOM 292 N LEU A 38 -1.330 -10.261 13.373 1.00 0.00 N ATOM 293 CA LEU A 38 -0.006 -10.069 13.934 1.00 0.00 C ATOM 294 C LEU A 38 -0.010 -8.888 14.891 1.00 0.00 C ATOM 295 O LEU A 38 -0.443 -7.785 14.544 1.00 0.00 O ATOM 296 CB LEU A 38 1.040 -9.869 12.835 1.00 0.00 C ATOM 297 CG LEU A 38 2.257 -10.800 12.923 1.00 0.00 C ATOM 298 CD1 LEU A 38 3.322 -10.209 13.828 1.00 0.00 C ATOM 299 CD2 LEU A 38 1.851 -12.180 13.419 1.00 0.00 C ATOM 0 H LEU A 38 -1.513 -9.745 12.512 1.00 0.00 H new ATOM 0 HA LEU A 38 0.263 -10.969 14.486 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.560 -10.013 11.867 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.388 -8.836 12.868 1.00 0.00 H new ATOM 0 HG LEU A 38 2.672 -10.903 11.920 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.175 -10.886 13.876 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.644 -9.246 13.431 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.913 -10.070 14.829 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.731 -12.821 13.473 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.404 -12.094 14.409 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.127 -12.615 12.731 1.00 0.00 H new ATOM 311 N THR A 39 0.474 -9.129 16.096 1.00 0.00 N ATOM 312 CA THR A 39 0.472 -8.125 17.139 1.00 0.00 C ATOM 313 C THR A 39 1.830 -7.421 17.206 1.00 0.00 C ATOM 314 O THR A 39 2.867 -8.041 16.981 1.00 0.00 O ATOM 315 CB THR A 39 0.135 -8.782 18.500 1.00 0.00 C ATOM 316 OG1 THR A 39 -1.191 -9.333 18.464 1.00 0.00 O ATOM 317 CG2 THR A 39 0.231 -7.789 19.641 1.00 0.00 C ATOM 0 H THR A 39 0.877 -10.023 16.376 1.00 0.00 H new ATOM 0 HA THR A 39 -0.289 -7.379 16.910 1.00 0.00 H new ATOM 0 HB THR A 39 0.865 -9.573 18.672 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.396 -9.748 19.328 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.013 -8.288 20.579 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.245 -7.392 19.694 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.470 -6.972 19.472 1.00 0.00 H new ATOM 325 N ALA A 40 1.819 -6.126 17.510 1.00 0.00 N ATOM 326 CA ALA A 40 3.054 -5.356 17.652 1.00 0.00 C ATOM 327 C ALA A 40 3.889 -5.876 18.823 1.00 0.00 C ATOM 328 O ALA A 40 5.110 -5.717 18.858 1.00 0.00 O ATOM 329 CB ALA A 40 2.735 -3.882 17.840 1.00 0.00 C ATOM 0 H ALA A 40 0.967 -5.586 17.663 1.00 0.00 H new ATOM 0 HA ALA A 40 3.639 -5.475 16.740 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.663 -3.319 17.945 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.184 -3.516 16.974 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.129 -3.752 18.737 1.00 0.00 H new ATOM 335 N ASN A 41 3.214 -6.511 19.774 1.00 0.00 N ATOM 336 CA ASN A 41 3.869 -7.122 20.928 1.00 0.00 C ATOM 337 C ASN A 41 4.588 -8.409 20.515 1.00 0.00 C ATOM 338 O ASN A 41 5.509 -8.870 21.190 1.00 0.00 O ATOM 339 CB ASN A 41 2.823 -7.431 22.010 1.00 0.00 C ATOM 340 CG ASN A 41 3.392 -7.434 23.417 1.00 0.00 C ATOM 341 OD1 ASN A 41 4.585 -7.638 23.623 1.00 0.00 O ATOM 342 ND2 ASN A 41 2.534 -7.218 24.401 1.00 0.00 N ATOM 0 H ASN A 41 2.200 -6.618 19.769 1.00 0.00 H new ATOM 0 HA ASN A 41 4.607 -6.425 21.325 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.022 -6.694 21.952 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.376 -8.404 21.805 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.857 -7.217 25.368 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.550 -7.052 24.192 1.00 0.00 H new ATOM 349 N ASP A 42 4.168 -8.972 19.389 1.00 0.00 N ATOM 350 CA ASP A 42 4.718 -10.233 18.900 1.00 0.00 C ATOM 351 C ASP A 42 6.107 -10.019 18.317 1.00 0.00 C ATOM 352 O ASP A 42 6.968 -10.894 18.387 1.00 0.00 O ATOM 353 CB ASP A 42 3.808 -10.826 17.819 1.00 0.00 C ATOM 354 CG ASP A 42 2.697 -11.696 18.368 1.00 0.00 C ATOM 355 OD1 ASP A 42 2.950 -12.490 19.300 1.00 0.00 O ATOM 356 OD2 ASP A 42 1.560 -11.585 17.865 1.00 0.00 O ATOM 0 H ASP A 42 3.443 -8.573 18.793 1.00 0.00 H new ATOM 0 HA ASP A 42 4.782 -10.922 19.742 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.369 -10.013 17.241 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.413 -11.416 17.131 1.00 0.00 H new ATOM 361 N VAL A 43 6.319 -8.835 17.758 1.00 0.00 N ATOM 362 CA VAL A 43 7.565 -8.513 17.065 1.00 0.00 C ATOM 363 C VAL A 43 8.755 -8.510 18.013 1.00 0.00 C ATOM 364 O VAL A 43 9.887 -8.725 17.594 1.00 0.00 O ATOM 365 CB VAL A 43 7.489 -7.141 16.367 1.00 0.00 C ATOM 366 CG1 VAL A 43 8.480 -7.066 15.212 1.00 0.00 C ATOM 367 CG2 VAL A 43 6.080 -6.874 15.882 1.00 0.00 C ATOM 0 H VAL A 43 5.640 -8.074 17.770 1.00 0.00 H new ATOM 0 HA VAL A 43 7.704 -9.293 16.317 1.00 0.00 H new ATOM 0 HB VAL A 43 7.756 -6.372 17.091 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.409 -6.089 14.734 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.492 -7.212 15.591 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.250 -7.844 14.484 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.042 -5.901 15.391 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.786 -7.649 15.174 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.396 -6.879 16.731 1.00 0.00 H new ATOM 377 N SER A 44 8.496 -8.277 19.291 1.00 0.00 N ATOM 378 CA SER A 44 9.554 -8.221 20.289 1.00 0.00 C ATOM 379 C SER A 44 10.185 -9.599 20.515 1.00 0.00 C ATOM 380 O SER A 44 11.219 -9.717 21.172 1.00 0.00 O ATOM 381 CB SER A 44 8.992 -7.663 21.593 1.00 0.00 C ATOM 382 OG SER A 44 7.840 -6.873 21.341 1.00 0.00 O ATOM 0 H SER A 44 7.559 -8.123 19.663 1.00 0.00 H new ATOM 0 HA SER A 44 10.342 -7.562 19.924 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.738 -8.482 22.266 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.750 -7.061 22.094 1.00 0.00 H new ATOM 0 HG SER A 44 7.041 -7.440 21.374 1.00 0.00 H new ATOM 388 N LYS A 45 9.558 -10.640 19.970 1.00 0.00 N ATOM 389 CA LYS A 45 10.120 -11.982 20.033 1.00 0.00 C ATOM 390 C LYS A 45 11.295 -12.096 19.071 1.00 0.00 C ATOM 391 O LYS A 45 12.279 -12.787 19.344 1.00 0.00 O ATOM 392 CB LYS A 45 9.062 -13.027 19.676 1.00 0.00 C ATOM 393 CG LYS A 45 8.001 -13.216 20.746 1.00 0.00 C ATOM 394 CD LYS A 45 7.008 -14.295 20.355 1.00 0.00 C ATOM 395 CE LYS A 45 6.817 -15.307 21.473 1.00 0.00 C ATOM 396 NZ LYS A 45 6.665 -16.690 20.951 1.00 0.00 N ATOM 0 H LYS A 45 8.664 -10.578 19.482 1.00 0.00 H new ATOM 0 HA LYS A 45 10.463 -12.165 21.051 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.577 -12.736 18.744 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.555 -13.982 19.494 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.477 -13.482 21.690 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.474 -12.276 20.908 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.050 -13.837 20.109 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.357 -14.805 19.457 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.671 -15.266 22.149 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.936 -15.041 22.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.035 -17.367 21.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.659 -16.887 20.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.195 -16.785 20.061 1.00 0.00 H new ATOM 410 N ILE A 46 11.185 -11.397 17.951 1.00 0.00 N ATOM 411 CA ILE A 46 12.221 -11.409 16.933 1.00 0.00 C ATOM 412 C ILE A 46 12.941 -10.067 16.907 1.00 0.00 C ATOM 413 O ILE A 46 12.644 -9.180 17.708 1.00 0.00 O ATOM 414 CB ILE A 46 11.650 -11.722 15.533 1.00 0.00 C ATOM 415 CG1 ILE A 46 10.603 -10.682 15.126 1.00 0.00 C ATOM 416 CG2 ILE A 46 11.045 -13.117 15.509 1.00 0.00 C ATOM 417 CD1 ILE A 46 10.966 -9.928 13.868 1.00 0.00 C ATOM 0 H ILE A 46 10.382 -10.811 17.725 1.00 0.00 H new ATOM 0 HA ILE A 46 12.925 -12.201 17.190 1.00 0.00 H new ATOM 0 HB ILE A 46 12.469 -11.681 14.814 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.645 -11.180 14.979 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.471 -9.971 15.942 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.646 -13.324 14.516 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.813 -13.851 15.752 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.241 -13.178 16.242 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.182 -9.207 13.637 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.909 -9.402 14.018 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.070 -10.630 13.040 1.00 0.00 H new ATOM 429 N ARG A 47 13.898 -9.924 16.005 1.00 0.00 N ATOM 430 CA ARG A 47 14.678 -8.699 15.917 1.00 0.00 C ATOM 431 C ARG A 47 15.316 -8.565 14.547 1.00 0.00 C ATOM 432 O ARG A 47 15.497 -9.555 13.838 1.00 0.00 O ATOM 433 CB ARG A 47 15.764 -8.661 16.996 1.00 0.00 C ATOM 434 CG ARG A 47 16.187 -10.026 17.510 1.00 0.00 C ATOM 435 CD ARG A 47 16.374 -10.011 19.018 1.00 0.00 C ATOM 436 NE ARG A 47 16.924 -11.265 19.527 1.00 0.00 N ATOM 437 CZ ARG A 47 18.183 -11.664 19.334 1.00 0.00 C ATOM 438 NH1 ARG A 47 19.030 -10.911 18.633 1.00 0.00 N ATOM 439 NH2 ARG A 47 18.600 -12.806 19.866 1.00 0.00 N ATOM 0 H ARG A 47 14.154 -10.639 15.324 1.00 0.00 H new ATOM 0 HA ARG A 47 13.997 -7.863 16.075 1.00 0.00 H new ATOM 0 HB2 ARG A 47 16.639 -8.150 16.595 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.404 -8.066 17.835 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.435 -10.768 17.241 1.00 0.00 H new ATOM 0 HG3 ARG A 47 17.117 -10.327 17.028 1.00 0.00 H new ATOM 0 HD2 ARG A 47 17.038 -9.190 19.290 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.415 -9.818 19.498 1.00 0.00 H new ATOM 0 HE ARG A 47 16.307 -11.874 20.064 1.00 0.00 H new ATOM 0 HH11 ARG A 47 18.718 -10.023 18.240 1.00 0.00 H new ATOM 0 HH12 ARG A 47 19.991 -11.222 18.490 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.959 -13.375 20.420 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.561 -13.115 19.721 1.00 0.00 H new ATOM 453 N VAL A 48 15.644 -7.341 14.175 1.00 0.00 N ATOM 454 CA VAL A 48 16.372 -7.095 12.943 1.00 0.00 C ATOM 455 C VAL A 48 17.797 -7.639 13.065 1.00 0.00 C ATOM 456 O VAL A 48 18.492 -7.394 14.057 1.00 0.00 O ATOM 457 CB VAL A 48 16.391 -5.587 12.581 1.00 0.00 C ATOM 458 CG1 VAL A 48 16.774 -4.744 13.786 1.00 0.00 C ATOM 459 CG2 VAL A 48 17.328 -5.309 11.412 1.00 0.00 C ATOM 0 H VAL A 48 15.418 -6.501 14.708 1.00 0.00 H new ATOM 0 HA VAL A 48 15.858 -7.615 12.135 1.00 0.00 H new ATOM 0 HB VAL A 48 15.382 -5.310 12.275 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.780 -3.691 13.506 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.051 -4.903 14.586 1.00 0.00 H new ATOM 0 HG13 VAL A 48 17.766 -5.033 14.132 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.318 -4.243 11.183 1.00 0.00 H new ATOM 0 HG22 VAL A 48 18.340 -5.614 11.677 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.996 -5.870 10.539 1.00 0.00 H new ATOM 469 N GLY A 49 18.209 -8.404 12.065 1.00 0.00 N ATOM 470 CA GLY A 49 19.506 -9.053 12.093 1.00 0.00 C ATOM 471 C GLY A 49 19.410 -10.483 12.567 1.00 0.00 C ATOM 472 O GLY A 49 20.381 -11.234 12.503 1.00 0.00 O ATOM 0 H GLY A 49 17.662 -8.589 11.225 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.945 -9.030 11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.176 -8.497 12.749 1.00 0.00 H new ATOM 476 N MET A 50 18.236 -10.858 13.044 1.00 0.00 N ATOM 477 CA MET A 50 17.975 -12.231 13.415 1.00 0.00 C ATOM 478 C MET A 50 17.792 -13.067 12.155 1.00 0.00 C ATOM 479 O MET A 50 17.328 -12.560 11.130 1.00 0.00 O ATOM 480 CB MET A 50 16.738 -12.309 14.309 1.00 0.00 C ATOM 481 CG MET A 50 16.873 -13.306 15.438 1.00 0.00 C ATOM 482 SD MET A 50 15.324 -14.152 15.805 1.00 0.00 S ATOM 483 CE MET A 50 15.308 -14.066 17.593 1.00 0.00 C ATOM 0 H MET A 50 17.448 -10.226 13.183 1.00 0.00 H new ATOM 0 HA MET A 50 18.821 -12.626 13.978 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.539 -11.322 14.728 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.875 -12.577 13.699 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.633 -14.043 15.178 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.222 -12.791 16.333 1.00 0.00 H new ATOM 0 HE1 MET A 50 14.408 -14.549 17.972 1.00 0.00 H new ATOM 0 HE2 MET A 50 16.187 -14.574 17.990 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.320 -13.022 17.907 1.00 0.00 H new ATOM 493 N THR A 51 18.173 -14.329 12.226 1.00 0.00 N ATOM 494 CA THR A 51 18.144 -15.201 11.072 1.00 0.00 C ATOM 495 C THR A 51 16.720 -15.666 10.770 1.00 0.00 C ATOM 496 O THR A 51 15.918 -15.854 11.686 1.00 0.00 O ATOM 497 CB THR A 51 19.053 -16.413 11.314 1.00 0.00 C ATOM 498 OG1 THR A 51 19.484 -16.420 12.684 1.00 0.00 O ATOM 499 CG2 THR A 51 20.270 -16.374 10.401 1.00 0.00 C ATOM 0 H THR A 51 18.509 -14.774 13.080 1.00 0.00 H new ATOM 0 HA THR A 51 18.507 -14.642 10.210 1.00 0.00 H new ATOM 0 HB THR A 51 18.487 -17.318 11.095 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.053 -17.161 13.159 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.897 -17.244 10.593 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.945 -16.384 9.361 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.841 -15.466 10.594 1.00 0.00 H new ATOM 507 N GLN A 52 16.429 -15.840 9.481 1.00 0.00 N ATOM 508 CA GLN A 52 15.102 -16.234 8.997 1.00 0.00 C ATOM 509 C GLN A 52 14.532 -17.412 9.785 1.00 0.00 C ATOM 510 O GLN A 52 13.347 -17.438 10.120 1.00 0.00 O ATOM 511 CB GLN A 52 15.185 -16.606 7.513 1.00 0.00 C ATOM 512 CG GLN A 52 13.836 -16.654 6.810 1.00 0.00 C ATOM 513 CD GLN A 52 13.669 -17.891 5.948 1.00 0.00 C ATOM 514 OE1 GLN A 52 14.053 -18.994 6.339 1.00 0.00 O ATOM 515 NE2 GLN A 52 13.099 -17.717 4.766 1.00 0.00 N ATOM 0 H GLN A 52 17.113 -15.711 8.735 1.00 0.00 H new ATOM 0 HA GLN A 52 14.434 -15.384 9.137 1.00 0.00 H new ATOM 0 HB2 GLN A 52 15.823 -15.884 7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.667 -17.579 7.419 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.041 -16.626 7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.723 -15.765 6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.794 -16.787 4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.964 -18.513 4.143 1.00 0.00 H new ATOM 524 N GLN A 53 15.393 -18.365 10.098 1.00 0.00 N ATOM 525 CA GLN A 53 14.979 -19.592 10.762 1.00 0.00 C ATOM 526 C GLN A 53 14.518 -19.301 12.183 1.00 0.00 C ATOM 527 O GLN A 53 13.502 -19.824 12.638 1.00 0.00 O ATOM 528 CB GLN A 53 16.130 -20.604 10.776 1.00 0.00 C ATOM 529 CG GLN A 53 16.839 -20.744 9.435 1.00 0.00 C ATOM 530 CD GLN A 53 18.083 -19.877 9.328 1.00 0.00 C ATOM 531 OE1 GLN A 53 18.029 -18.664 9.538 1.00 0.00 O ATOM 532 NE2 GLN A 53 19.208 -20.489 9.000 1.00 0.00 N ATOM 0 H GLN A 53 16.392 -18.312 9.901 1.00 0.00 H new ATOM 0 HA GLN A 53 14.143 -20.019 10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.856 -20.304 11.531 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.742 -21.578 11.075 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.116 -21.787 9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.148 -20.478 8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 53 19.211 -21.495 8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 53 20.073 -19.955 8.913 1.00 0.00 H new ATOM 541 N GLN A 54 15.257 -18.443 12.870 1.00 0.00 N ATOM 542 CA GLN A 54 14.958 -18.111 14.256 1.00 0.00 C ATOM 543 C GLN A 54 13.807 -17.122 14.327 1.00 0.00 C ATOM 544 O GLN A 54 13.008 -17.160 15.260 1.00 0.00 O ATOM 545 CB GLN A 54 16.196 -17.535 14.946 1.00 0.00 C ATOM 546 CG GLN A 54 17.158 -18.596 15.458 1.00 0.00 C ATOM 547 CD GLN A 54 17.866 -19.322 14.333 1.00 0.00 C ATOM 548 OE1 GLN A 54 18.714 -18.755 13.649 1.00 0.00 O ATOM 549 NE2 GLN A 54 17.517 -20.579 14.126 1.00 0.00 N ATOM 0 H GLN A 54 16.072 -17.962 12.489 1.00 0.00 H new ATOM 0 HA GLN A 54 14.665 -19.024 14.774 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.723 -16.887 14.246 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.879 -16.911 15.781 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.898 -18.129 16.108 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.610 -19.317 16.065 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.808 -21.015 14.716 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.956 -21.113 13.376 1.00 0.00 H new ATOM 558 N VAL A 55 13.723 -16.244 13.336 1.00 0.00 N ATOM 559 CA VAL A 55 12.607 -15.316 13.231 1.00 0.00 C ATOM 560 C VAL A 55 11.304 -16.097 13.098 1.00 0.00 C ATOM 561 O VAL A 55 10.327 -15.831 13.802 1.00 0.00 O ATOM 562 CB VAL A 55 12.771 -14.363 12.024 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.472 -13.631 11.713 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.896 -13.371 12.277 1.00 0.00 C ATOM 0 H VAL A 55 14.416 -16.156 12.593 1.00 0.00 H new ATOM 0 HA VAL A 55 12.586 -14.709 14.136 1.00 0.00 H new ATOM 0 HB VAL A 55 13.028 -14.968 11.154 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.622 -12.970 10.860 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.693 -14.356 11.477 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.170 -13.043 12.579 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.997 -12.708 11.417 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.668 -12.781 13.165 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.830 -13.911 12.430 1.00 0.00 H new ATOM 574 N ALA A 56 11.312 -17.087 12.217 1.00 0.00 N ATOM 575 CA ALA A 56 10.139 -17.916 12.001 1.00 0.00 C ATOM 576 C ALA A 56 9.865 -18.791 13.219 1.00 0.00 C ATOM 577 O ALA A 56 8.716 -18.982 13.604 1.00 0.00 O ATOM 578 CB ALA A 56 10.314 -18.766 10.756 1.00 0.00 C ATOM 0 H ALA A 56 12.117 -17.334 11.642 1.00 0.00 H new ATOM 0 HA ALA A 56 9.278 -17.264 11.854 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.427 -19.381 10.608 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.455 -18.119 9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.186 -19.409 10.874 1.00 0.00 H new ATOM 584 N TYR A 57 10.927 -19.301 13.833 1.00 0.00 N ATOM 585 CA TYR A 57 10.791 -20.181 14.989 1.00 0.00 C ATOM 586 C TYR A 57 10.244 -19.435 16.204 1.00 0.00 C ATOM 587 O TYR A 57 9.413 -19.965 16.944 1.00 0.00 O ATOM 588 CB TYR A 57 12.133 -20.827 15.334 1.00 0.00 C ATOM 589 CG TYR A 57 12.161 -22.317 15.068 1.00 0.00 C ATOM 590 CD1 TYR A 57 12.497 -22.810 13.814 1.00 0.00 C ATOM 591 CD2 TYR A 57 11.840 -23.228 16.067 1.00 0.00 C ATOM 592 CE1 TYR A 57 12.516 -24.169 13.563 1.00 0.00 C ATOM 593 CE2 TYR A 57 11.859 -24.588 15.824 1.00 0.00 C ATOM 594 CZ TYR A 57 12.196 -25.053 14.570 1.00 0.00 C ATOM 595 OH TYR A 57 12.212 -26.407 14.322 1.00 0.00 O ATOM 0 H TYR A 57 11.890 -19.121 13.550 1.00 0.00 H new ATOM 0 HA TYR A 57 10.077 -20.960 14.722 1.00 0.00 H new ATOM 0 HB2 TYR A 57 12.921 -20.346 14.754 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.356 -20.648 16.386 1.00 0.00 H new ATOM 0 HD1 TYR A 57 12.748 -22.120 13.022 1.00 0.00 H new ATOM 0 HD2 TYR A 57 11.571 -22.867 17.049 1.00 0.00 H new ATOM 0 HE1 TYR A 57 12.780 -24.536 12.582 1.00 0.00 H new ATOM 0 HE2 TYR A 57 11.611 -25.284 16.612 1.00 0.00 H new ATOM 0 HH TYR A 57 11.963 -26.892 15.137 1.00 0.00 H new ATOM 605 N ALA A 58 10.707 -18.208 16.404 1.00 0.00 N ATOM 606 CA ALA A 58 10.290 -17.412 17.550 1.00 0.00 C ATOM 607 C ALA A 58 8.880 -16.855 17.364 1.00 0.00 C ATOM 608 O ALA A 58 8.086 -16.833 18.307 1.00 0.00 O ATOM 609 CB ALA A 58 11.276 -16.277 17.799 1.00 0.00 C ATOM 0 H ALA A 58 11.372 -17.742 15.787 1.00 0.00 H new ATOM 0 HA ALA A 58 10.278 -18.069 18.420 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.949 -15.693 18.659 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.265 -16.691 17.997 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.321 -15.635 16.920 1.00 0.00 H new ATOM 615 N LEU A 59 8.572 -16.404 16.150 1.00 0.00 N ATOM 616 CA LEU A 59 7.275 -15.790 15.876 1.00 0.00 C ATOM 617 C LEU A 59 6.198 -16.840 15.618 1.00 0.00 C ATOM 618 O LEU A 59 5.061 -16.696 16.066 1.00 0.00 O ATOM 619 CB LEU A 59 7.373 -14.848 14.674 1.00 0.00 C ATOM 620 CG LEU A 59 7.184 -13.365 14.992 1.00 0.00 C ATOM 621 CD1 LEU A 59 7.527 -12.512 13.778 1.00 0.00 C ATOM 622 CD2 LEU A 59 5.759 -13.092 15.453 1.00 0.00 C ATOM 0 H LEU A 59 9.198 -16.451 15.346 1.00 0.00 H new ATOM 0 HA LEU A 59 6.991 -15.221 16.761 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.349 -14.981 14.207 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.624 -15.144 13.939 1.00 0.00 H new ATOM 0 HG LEU A 59 7.862 -13.099 15.803 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.387 -11.459 14.022 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.565 -12.684 13.494 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.875 -12.782 12.948 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.645 -12.031 15.674 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.061 -13.375 14.665 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.549 -13.674 16.350 1.00 0.00 H new ATOM 634 N GLY A 60 6.566 -17.900 14.915 1.00 0.00 N ATOM 635 CA GLY A 60 5.595 -18.897 14.510 1.00 0.00 C ATOM 636 C GLY A 60 5.252 -18.765 13.040 1.00 0.00 C ATOM 637 O GLY A 60 4.217 -19.251 12.581 1.00 0.00 O ATOM 0 H GLY A 60 7.523 -18.089 14.616 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.991 -19.894 14.705 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.690 -18.790 15.108 1.00 0.00 H new ATOM 641 N THR A 61 6.139 -18.100 12.306 1.00 0.00 N ATOM 642 CA THR A 61 5.962 -17.867 10.880 1.00 0.00 C ATOM 643 C THR A 61 6.362 -19.100 10.071 1.00 0.00 C ATOM 644 O THR A 61 7.384 -19.727 10.350 1.00 0.00 O ATOM 645 CB THR A 61 6.808 -16.659 10.419 1.00 0.00 C ATOM 646 OG1 THR A 61 6.786 -15.628 11.422 1.00 0.00 O ATOM 647 CG2 THR A 61 6.297 -16.098 9.099 1.00 0.00 C ATOM 0 H THR A 61 7.001 -17.708 12.685 1.00 0.00 H new ATOM 0 HA THR A 61 4.906 -17.657 10.708 1.00 0.00 H new ATOM 0 HB THR A 61 7.831 -17.005 10.272 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.326 -14.867 11.121 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.913 -15.249 8.802 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.348 -16.870 8.331 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.264 -15.772 9.218 1.00 0.00 H new ATOM 655 N PRO A 62 5.544 -19.483 9.079 1.00 0.00 N ATOM 656 CA PRO A 62 5.885 -20.562 8.152 1.00 0.00 C ATOM 657 C PRO A 62 7.118 -20.205 7.323 1.00 0.00 C ATOM 658 O PRO A 62 7.204 -19.107 6.767 1.00 0.00 O ATOM 659 CB PRO A 62 4.647 -20.677 7.248 1.00 0.00 C ATOM 660 CG PRO A 62 3.555 -19.984 7.988 1.00 0.00 C ATOM 661 CD PRO A 62 4.223 -18.906 8.791 1.00 0.00 C ATOM 0 HA PRO A 62 6.125 -21.492 8.667 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.823 -20.211 6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.394 -21.720 7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.823 -19.562 7.299 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.020 -20.679 8.635 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.302 -17.975 8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.672 -18.682 9.704 1.00 0.00 H new ATOM 669 N LEU A 63 8.068 -21.127 7.248 1.00 0.00 N ATOM 670 CA LEU A 63 9.309 -20.893 6.519 1.00 0.00 C ATOM 671 C LEU A 63 9.059 -20.918 5.018 1.00 0.00 C ATOM 672 O LEU A 63 8.508 -21.879 4.488 1.00 0.00 O ATOM 673 CB LEU A 63 10.354 -21.944 6.901 1.00 0.00 C ATOM 674 CG LEU A 63 10.890 -21.830 8.331 1.00 0.00 C ATOM 675 CD1 LEU A 63 11.115 -23.208 8.933 1.00 0.00 C ATOM 676 CD2 LEU A 63 12.177 -21.021 8.354 1.00 0.00 C ATOM 0 H LEU A 63 8.003 -22.047 7.684 1.00 0.00 H new ATOM 0 HA LEU A 63 9.688 -19.908 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.917 -22.934 6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.192 -21.871 6.208 1.00 0.00 H new ATOM 0 HG LEU A 63 10.145 -21.312 8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.496 -23.103 9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.172 -23.755 8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.839 -23.755 8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.544 -20.950 9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.926 -21.512 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.985 -20.020 7.967 1.00 0.00 H new ATOM 688 N MET A 64 9.451 -19.851 4.341 1.00 0.00 N ATOM 689 CA MET A 64 9.247 -19.739 2.907 1.00 0.00 C ATOM 690 C MET A 64 10.540 -20.022 2.158 1.00 0.00 C ATOM 691 O MET A 64 11.632 -19.749 2.662 1.00 0.00 O ATOM 692 CB MET A 64 8.740 -18.341 2.560 1.00 0.00 C ATOM 693 CG MET A 64 7.929 -18.277 1.279 1.00 0.00 C ATOM 694 SD MET A 64 6.581 -17.086 1.375 1.00 0.00 S ATOM 695 CE MET A 64 5.384 -18.002 2.348 1.00 0.00 C ATOM 0 H MET A 64 9.914 -19.047 4.764 1.00 0.00 H new ATOM 0 HA MET A 64 8.503 -20.476 2.605 1.00 0.00 H new ATOM 0 HB2 MET A 64 8.128 -17.973 3.384 1.00 0.00 H new ATOM 0 HB3 MET A 64 9.593 -17.668 2.471 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.585 -18.012 0.450 1.00 0.00 H new ATOM 0 HG3 MET A 64 7.522 -19.264 1.060 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.491 -17.394 2.493 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.117 -18.920 1.825 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.816 -18.249 3.318 1.00 0.00 H new ATOM 705 N SER A 65 10.411 -20.585 0.967 1.00 0.00 N ATOM 706 CA SER A 65 11.556 -20.848 0.116 1.00 0.00 C ATOM 707 C SER A 65 11.908 -19.596 -0.681 1.00 0.00 C ATOM 708 O SER A 65 11.269 -18.551 -0.523 1.00 0.00 O ATOM 709 CB SER A 65 11.245 -22.017 -0.823 1.00 0.00 C ATOM 710 OG SER A 65 10.140 -22.773 -0.346 1.00 0.00 O ATOM 0 H SER A 65 9.517 -20.870 0.567 1.00 0.00 H new ATOM 0 HA SER A 65 12.413 -21.117 0.734 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.027 -21.638 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.120 -22.661 -0.910 1.00 0.00 H new ATOM 0 HG SER A 65 9.959 -23.513 -0.963 1.00 0.00 H new ATOM 716 N ASP A 66 12.903 -19.702 -1.551 1.00 0.00 N ATOM 717 CA ASP A 66 13.366 -18.551 -2.316 1.00 0.00 C ATOM 718 C ASP A 66 13.578 -18.883 -3.799 1.00 0.00 C ATOM 719 O ASP A 66 14.602 -18.526 -4.374 1.00 0.00 O ATOM 720 CB ASP A 66 14.664 -18.004 -1.709 1.00 0.00 C ATOM 721 CG ASP A 66 15.835 -18.970 -1.827 1.00 0.00 C ATOM 722 OD1 ASP A 66 15.749 -20.093 -1.281 1.00 0.00 O ATOM 723 OD2 ASP A 66 16.841 -18.617 -2.477 1.00 0.00 O ATOM 0 H ASP A 66 13.404 -20.569 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 66 12.586 -17.791 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.922 -17.068 -2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.496 -17.773 -0.657 1.00 0.00 H new ATOM 728 N PRO A 67 12.596 -19.513 -4.471 1.00 0.00 N ATOM 729 CA PRO A 67 12.747 -19.901 -5.874 1.00 0.00 C ATOM 730 C PRO A 67 12.800 -18.678 -6.777 1.00 0.00 C ATOM 731 O PRO A 67 13.395 -18.700 -7.854 1.00 0.00 O ATOM 732 CB PRO A 67 11.494 -20.736 -6.172 1.00 0.00 C ATOM 733 CG PRO A 67 10.868 -21.009 -4.845 1.00 0.00 C ATOM 734 CD PRO A 67 11.265 -19.867 -3.958 1.00 0.00 C ATOM 0 HA PRO A 67 13.672 -20.450 -6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.809 -20.195 -6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.754 -21.664 -6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.784 -21.077 -4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.215 -21.958 -4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.567 -19.034 -4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 67 11.299 -20.161 -2.909 1.00 0.00 H new ATOM 742 N PHE A 68 12.169 -17.606 -6.322 1.00 0.00 N ATOM 743 CA PHE A 68 12.154 -16.359 -7.072 1.00 0.00 C ATOM 744 C PHE A 68 13.086 -15.326 -6.446 1.00 0.00 C ATOM 745 O PHE A 68 13.229 -14.219 -6.962 1.00 0.00 O ATOM 746 CB PHE A 68 10.731 -15.805 -7.163 1.00 0.00 C ATOM 747 CG PHE A 68 10.078 -16.081 -8.485 1.00 0.00 C ATOM 748 CD1 PHE A 68 10.410 -15.334 -9.604 1.00 0.00 C ATOM 749 CD2 PHE A 68 9.137 -17.087 -8.611 1.00 0.00 C ATOM 750 CE1 PHE A 68 9.815 -15.587 -10.824 1.00 0.00 C ATOM 751 CE2 PHE A 68 8.539 -17.348 -9.828 1.00 0.00 C ATOM 752 CZ PHE A 68 8.878 -16.594 -10.936 1.00 0.00 C ATOM 0 H PHE A 68 11.661 -17.574 -5.438 1.00 0.00 H new ATOM 0 HA PHE A 68 12.513 -16.571 -8.079 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.126 -16.240 -6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.755 -14.729 -6.993 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.143 -14.545 -9.521 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.867 -17.676 -7.747 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.082 -14.998 -11.689 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.809 -18.139 -9.914 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.410 -16.793 -11.889 1.00 0.00 H new ATOM 762 N GLY A 69 13.713 -15.685 -5.332 1.00 0.00 N ATOM 763 CA GLY A 69 14.594 -14.753 -4.657 1.00 0.00 C ATOM 764 C GLY A 69 13.872 -14.022 -3.550 1.00 0.00 C ATOM 765 O GLY A 69 14.094 -12.832 -3.331 1.00 0.00 O ATOM 0 H GLY A 69 13.628 -16.599 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.448 -15.290 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.986 -14.034 -5.376 1.00 0.00 H new ATOM 769 N THR A 70 12.996 -14.739 -2.861 1.00 0.00 N ATOM 770 CA THR A 70 12.117 -14.139 -1.877 1.00 0.00 C ATOM 771 C THR A 70 12.882 -13.714 -0.625 1.00 0.00 C ATOM 772 O THR A 70 13.254 -14.544 0.203 1.00 0.00 O ATOM 773 CB THR A 70 11.005 -15.129 -1.485 1.00 0.00 C ATOM 774 OG1 THR A 70 11.193 -16.366 -2.190 1.00 0.00 O ATOM 775 CG2 THR A 70 9.631 -14.559 -1.810 1.00 0.00 C ATOM 0 H THR A 70 12.877 -15.746 -2.970 1.00 0.00 H new ATOM 0 HA THR A 70 11.677 -13.250 -2.329 1.00 0.00 H new ATOM 0 HB THR A 70 11.060 -15.304 -0.411 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.103 -17.116 -1.565 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.862 -15.277 -1.524 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.483 -13.630 -1.259 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.563 -14.361 -2.880 1.00 0.00 H new ATOM 783 N ASN A 71 13.117 -12.413 -0.505 1.00 0.00 N ATOM 784 CA ASN A 71 13.858 -11.864 0.629 1.00 0.00 C ATOM 785 C ASN A 71 12.969 -10.964 1.476 1.00 0.00 C ATOM 786 O ASN A 71 13.455 -10.225 2.332 1.00 0.00 O ATOM 787 CB ASN A 71 15.072 -11.067 0.144 1.00 0.00 C ATOM 788 CG ASN A 71 14.709 -10.006 -0.882 1.00 0.00 C ATOM 789 OD1 ASN A 71 14.175 -8.948 -0.542 1.00 0.00 O ATOM 790 ND2 ASN A 71 14.983 -10.286 -2.145 1.00 0.00 N ATOM 0 H ASN A 71 12.805 -11.715 -1.180 1.00 0.00 H new ATOM 0 HA ASN A 71 14.197 -12.701 1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.553 -10.590 0.998 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.800 -11.752 -0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.752 -9.615 -2.878 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.426 -11.173 -2.386 1.00 0.00 H new ATOM 797 N THR A 72 11.670 -11.025 1.239 1.00 0.00 N ATOM 798 CA THR A 72 10.739 -10.179 1.960 1.00 0.00 C ATOM 799 C THR A 72 9.530 -10.972 2.437 1.00 0.00 C ATOM 800 O THR A 72 9.081 -11.901 1.765 1.00 0.00 O ATOM 801 CB THR A 72 10.262 -9.005 1.086 1.00 0.00 C ATOM 802 OG1 THR A 72 10.906 -9.059 -0.198 1.00 0.00 O ATOM 803 CG2 THR A 72 10.564 -7.669 1.746 1.00 0.00 C ATOM 0 H THR A 72 11.239 -11.648 0.556 1.00 0.00 H new ATOM 0 HA THR A 72 11.271 -9.785 2.826 1.00 0.00 H new ATOM 0 HB THR A 72 9.183 -9.094 0.963 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.598 -8.311 -0.750 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.215 -6.859 1.105 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.054 -7.615 2.708 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.639 -7.573 1.899 1.00 0.00 H new ATOM 811 N TRP A 73 9.020 -10.603 3.601 1.00 0.00 N ATOM 812 CA TRP A 73 7.836 -11.233 4.160 1.00 0.00 C ATOM 813 C TRP A 73 6.774 -10.178 4.437 1.00 0.00 C ATOM 814 O TRP A 73 7.091 -9.077 4.887 1.00 0.00 O ATOM 815 CB TRP A 73 8.186 -11.981 5.446 1.00 0.00 C ATOM 816 CG TRP A 73 8.327 -13.458 5.253 1.00 0.00 C ATOM 817 CD1 TRP A 73 7.859 -14.194 4.204 1.00 0.00 C ATOM 818 CD2 TRP A 73 8.981 -14.381 6.132 1.00 0.00 C ATOM 819 NE1 TRP A 73 8.183 -15.517 4.375 1.00 0.00 N ATOM 820 CE2 TRP A 73 8.871 -15.659 5.552 1.00 0.00 C ATOM 821 CE3 TRP A 73 9.648 -14.250 7.355 1.00 0.00 C ATOM 822 CZ2 TRP A 73 9.407 -16.797 6.149 1.00 0.00 C ATOM 823 CZ3 TRP A 73 10.177 -15.381 7.947 1.00 0.00 C ATOM 824 CH2 TRP A 73 10.054 -16.640 7.345 1.00 0.00 C ATOM 0 H TRP A 73 9.413 -9.862 4.182 1.00 0.00 H new ATOM 0 HA TRP A 73 7.445 -11.952 3.440 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.118 -11.584 5.847 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.413 -11.791 6.190 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.313 -13.794 3.362 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.950 -16.272 3.730 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.747 -13.284 7.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 9.316 -17.768 5.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 10.695 -15.293 8.891 1.00 0.00 H new ATOM 0 HH2 TRP A 73 10.478 -17.504 7.834 1.00 0.00 H new ATOM 835 N PHE A 74 5.523 -10.510 4.160 1.00 0.00 N ATOM 836 CA PHE A 74 4.426 -9.571 4.340 1.00 0.00 C ATOM 837 C PHE A 74 3.509 -10.021 5.468 1.00 0.00 C ATOM 838 O PHE A 74 2.816 -11.032 5.351 1.00 0.00 O ATOM 839 CB PHE A 74 3.626 -9.439 3.040 1.00 0.00 C ATOM 840 CG PHE A 74 3.772 -8.101 2.367 1.00 0.00 C ATOM 841 CD1 PHE A 74 4.744 -7.202 2.778 1.00 0.00 C ATOM 842 CD2 PHE A 74 2.935 -7.742 1.321 1.00 0.00 C ATOM 843 CE1 PHE A 74 4.880 -5.973 2.158 1.00 0.00 C ATOM 844 CE2 PHE A 74 3.067 -6.515 0.696 1.00 0.00 C ATOM 845 CZ PHE A 74 4.040 -5.629 1.117 1.00 0.00 C ATOM 0 H PHE A 74 5.241 -11.425 3.809 1.00 0.00 H new ATOM 0 HA PHE A 74 4.847 -8.600 4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.944 -10.219 2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.572 -9.614 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.403 -7.464 3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.170 -8.429 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.643 -5.283 2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.411 -6.250 -0.120 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.144 -4.669 0.633 1.00 0.00 H new ATOM 855 N TYR A 75 3.514 -9.273 6.561 1.00 0.00 N ATOM 856 CA TYR A 75 2.676 -9.595 7.707 1.00 0.00 C ATOM 857 C TYR A 75 1.557 -8.569 7.860 1.00 0.00 C ATOM 858 O TYR A 75 1.760 -7.375 7.630 1.00 0.00 O ATOM 859 CB TYR A 75 3.519 -9.640 8.983 1.00 0.00 C ATOM 860 CG TYR A 75 3.668 -11.026 9.576 1.00 0.00 C ATOM 861 CD1 TYR A 75 2.669 -11.984 9.433 1.00 0.00 C ATOM 862 CD2 TYR A 75 4.809 -11.372 10.290 1.00 0.00 C ATOM 863 CE1 TYR A 75 2.805 -13.244 9.986 1.00 0.00 C ATOM 864 CE2 TYR A 75 4.952 -12.630 10.842 1.00 0.00 C ATOM 865 CZ TYR A 75 3.949 -13.561 10.689 1.00 0.00 C ATOM 866 OH TYR A 75 4.084 -14.811 11.247 1.00 0.00 O ATOM 0 H TYR A 75 4.089 -8.439 6.679 1.00 0.00 H new ATOM 0 HA TYR A 75 2.230 -10.575 7.540 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.510 -9.241 8.766 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.067 -8.984 9.728 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.773 -11.740 8.881 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.597 -10.645 10.415 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.020 -13.976 9.868 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.847 -12.882 11.391 1.00 0.00 H new ATOM 0 HH TYR A 75 5.035 -15.012 11.374 1.00 0.00 H new ATOM 876 N VAL A 76 0.374 -9.036 8.239 1.00 0.00 N ATOM 877 CA VAL A 76 -0.768 -8.154 8.439 1.00 0.00 C ATOM 878 C VAL A 76 -0.802 -7.642 9.876 1.00 0.00 C ATOM 879 O VAL A 76 -1.038 -8.409 10.812 1.00 0.00 O ATOM 880 CB VAL A 76 -2.099 -8.864 8.124 1.00 0.00 C ATOM 881 CG1 VAL A 76 -3.263 -7.892 8.222 1.00 0.00 C ATOM 882 CG2 VAL A 76 -2.051 -9.499 6.744 1.00 0.00 C ATOM 0 H VAL A 76 0.181 -10.022 8.414 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.651 -7.317 7.751 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.248 -9.652 8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.193 -8.414 7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.312 -7.484 9.232 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.120 -7.080 7.509 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.999 -9.996 6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.876 -8.727 5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.243 -10.230 6.708 1.00 0.00 H new ATOM 892 N PHE A 77 -0.566 -6.347 10.040 1.00 0.00 N ATOM 893 CA PHE A 77 -0.513 -5.736 11.362 1.00 0.00 C ATOM 894 C PHE A 77 -1.845 -5.099 11.726 1.00 0.00 C ATOM 895 O PHE A 77 -2.744 -4.996 10.892 1.00 0.00 O ATOM 896 CB PHE A 77 0.585 -4.673 11.403 1.00 0.00 C ATOM 897 CG PHE A 77 1.754 -5.041 12.262 1.00 0.00 C ATOM 898 CD1 PHE A 77 2.136 -6.364 12.404 1.00 0.00 C ATOM 899 CD2 PHE A 77 2.476 -4.063 12.925 1.00 0.00 C ATOM 900 CE1 PHE A 77 3.217 -6.704 13.185 1.00 0.00 C ATOM 901 CE2 PHE A 77 3.557 -4.399 13.710 1.00 0.00 C ATOM 902 CZ PHE A 77 3.925 -5.720 13.838 1.00 0.00 C ATOM 0 H PHE A 77 -0.408 -5.697 9.270 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.294 -6.521 12.086 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.936 -4.489 10.388 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.159 -3.738 11.768 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.580 -7.138 11.896 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.189 -3.027 12.826 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.509 -7.739 13.285 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.114 -3.629 14.223 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.772 -5.985 14.453 1.00 0.00 H new ATOM 912 N ARG A 78 -1.960 -4.680 12.978 1.00 0.00 N ATOM 913 CA ARG A 78 -3.131 -3.959 13.445 1.00 0.00 C ATOM 914 C ARG A 78 -2.773 -3.108 14.656 1.00 0.00 C ATOM 915 O ARG A 78 -1.846 -3.433 15.401 1.00 0.00 O ATOM 916 CB ARG A 78 -4.264 -4.926 13.796 1.00 0.00 C ATOM 917 CG ARG A 78 -5.633 -4.423 13.369 1.00 0.00 C ATOM 918 CD ARG A 78 -6.747 -5.200 14.046 1.00 0.00 C ATOM 919 NE ARG A 78 -7.792 -5.596 13.106 1.00 0.00 N ATOM 920 CZ ARG A 78 -8.962 -6.121 13.468 1.00 0.00 C ATOM 921 NH1 ARG A 78 -9.252 -6.292 14.754 1.00 0.00 N ATOM 922 NH2 ARG A 78 -9.847 -6.469 12.542 1.00 0.00 N ATOM 0 H ARG A 78 -1.248 -4.830 13.693 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.475 -3.308 12.641 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.073 -5.888 13.320 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.266 -5.098 14.872 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.725 -3.365 13.613 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.733 -4.510 12.287 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.331 -6.089 14.521 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.184 -4.591 14.837 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.615 -5.462 12.110 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.577 -6.021 15.469 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.149 -6.694 15.025 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.631 -6.334 11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.743 -6.871 12.818 1.00 0.00 H new ATOM 936 N GLN A 79 -3.489 -2.008 14.832 1.00 0.00 N ATOM 937 CA GLN A 79 -3.279 -1.127 15.969 1.00 0.00 C ATOM 938 C GLN A 79 -4.610 -0.847 16.661 1.00 0.00 C ATOM 939 O GLN A 79 -5.434 -1.748 16.815 1.00 0.00 O ATOM 940 CB GLN A 79 -2.610 0.194 15.538 1.00 0.00 C ATOM 941 CG GLN A 79 -2.942 0.659 14.122 1.00 0.00 C ATOM 942 CD GLN A 79 -4.418 0.948 13.913 1.00 0.00 C ATOM 943 OE1 GLN A 79 -5.207 0.049 13.625 1.00 0.00 O ATOM 944 NE2 GLN A 79 -4.797 2.205 14.058 1.00 0.00 N ATOM 0 H GLN A 79 -4.226 -1.703 14.196 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.609 -1.626 16.669 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.903 0.976 16.238 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.529 0.080 15.622 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.368 1.558 13.899 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.625 -0.106 13.413 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.110 2.920 14.297 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.776 2.460 13.931 1.00 0.00 H new ATOM 953 N GLN A 80 -4.811 0.398 17.063 1.00 0.00 N ATOM 954 CA GLN A 80 -6.058 0.817 17.686 1.00 0.00 C ATOM 955 C GLN A 80 -6.953 1.486 16.643 1.00 0.00 C ATOM 956 O GLN A 80 -6.701 2.621 16.231 1.00 0.00 O ATOM 957 CB GLN A 80 -5.789 1.773 18.862 1.00 0.00 C ATOM 958 CG GLN A 80 -4.407 2.421 18.842 1.00 0.00 C ATOM 959 CD GLN A 80 -3.313 1.502 19.367 1.00 0.00 C ATOM 960 OE1 GLN A 80 -3.546 0.674 20.248 1.00 0.00 O ATOM 961 NE2 GLN A 80 -2.113 1.640 18.817 1.00 0.00 N ATOM 0 H GLN A 80 -4.120 1.142 16.968 1.00 0.00 H new ATOM 0 HA GLN A 80 -6.567 -0.062 18.081 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.545 2.558 18.857 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.906 1.223 19.796 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.166 2.718 17.821 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.429 3.331 19.442 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.963 2.339 18.089 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.341 1.047 19.122 1.00 0.00 H new ATOM 970 N PRO A 81 -7.997 0.775 16.187 1.00 0.00 N ATOM 971 CA PRO A 81 -8.902 1.257 15.134 1.00 0.00 C ATOM 972 C PRO A 81 -9.675 2.506 15.549 1.00 0.00 C ATOM 973 O PRO A 81 -10.172 2.596 16.675 1.00 0.00 O ATOM 974 CB PRO A 81 -9.868 0.087 14.912 1.00 0.00 C ATOM 975 CG PRO A 81 -9.202 -1.096 15.528 1.00 0.00 C ATOM 976 CD PRO A 81 -8.386 -0.559 16.665 1.00 0.00 C ATOM 0 HA PRO A 81 -8.350 1.546 14.240 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.834 0.281 15.378 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.053 -0.074 13.850 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.937 -1.819 15.882 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.572 -1.611 14.803 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.964 -0.505 17.587 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.517 -1.184 16.870 1.00 0.00 H new ATOM 984 N GLY A 82 -9.777 3.458 14.634 1.00 0.00 N ATOM 985 CA GLY A 82 -10.493 4.683 14.909 1.00 0.00 C ATOM 986 C GLY A 82 -11.592 4.933 13.904 1.00 0.00 C ATOM 987 O GLY A 82 -11.489 4.503 12.754 1.00 0.00 O ATOM 0 H GLY A 82 -9.373 3.401 13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.921 4.636 15.910 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.796 5.521 14.900 1.00 0.00 H new ATOM 991 N HIS A 83 -12.649 5.605 14.341 1.00 0.00 N ATOM 992 CA HIS A 83 -13.768 5.944 13.463 1.00 0.00 C ATOM 993 C HIS A 83 -13.319 6.906 12.369 1.00 0.00 C ATOM 994 O HIS A 83 -12.931 8.043 12.657 1.00 0.00 O ATOM 995 CB HIS A 83 -14.936 6.551 14.259 1.00 0.00 C ATOM 996 CG HIS A 83 -14.522 7.497 15.351 1.00 0.00 C ATOM 997 ND1 HIS A 83 -14.247 7.084 16.635 1.00 0.00 N ATOM 998 CD2 HIS A 83 -14.329 8.838 15.343 1.00 0.00 C ATOM 999 CE1 HIS A 83 -13.901 8.124 17.367 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -13.941 9.202 16.609 1.00 0.00 N ATOM 0 H HIS A 83 -12.758 5.929 15.302 1.00 0.00 H new ATOM 0 HA HIS A 83 -14.117 5.022 12.998 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.594 7.079 13.569 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.519 5.742 14.699 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -14.457 9.498 14.498 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -13.630 8.098 18.412 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.720 10.150 16.913 1.00 0.00 H new ATOM 1009 N GLU A 84 -13.393 6.435 11.122 1.00 0.00 N ATOM 1010 CA GLU A 84 -12.923 7.174 9.947 1.00 0.00 C ATOM 1011 C GLU A 84 -11.396 7.191 9.907 1.00 0.00 C ATOM 1012 O GLU A 84 -10.737 7.449 10.913 1.00 0.00 O ATOM 1013 CB GLU A 84 -13.487 8.599 9.908 1.00 0.00 C ATOM 1014 CG GLU A 84 -14.541 8.803 8.830 1.00 0.00 C ATOM 1015 CD GLU A 84 -13.952 8.802 7.437 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -12.845 9.345 7.257 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -14.588 8.257 6.515 1.00 0.00 O ATOM 0 H GLU A 84 -13.785 5.521 10.897 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.291 6.658 9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.921 8.837 10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.669 9.301 9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.290 8.015 8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.055 9.749 9.003 1.00 0.00 H new ATOM 1024 N GLY A 85 -10.844 6.928 8.733 1.00 0.00 N ATOM 1025 CA GLY A 85 -9.416 6.706 8.628 1.00 0.00 C ATOM 1026 C GLY A 85 -9.116 5.224 8.590 1.00 0.00 C ATOM 1027 O GLY A 85 -8.329 4.711 9.383 1.00 0.00 O ATOM 0 H GLY A 85 -11.356 6.864 7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.032 7.185 7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.907 7.165 9.475 1.00 0.00 H new ATOM 1031 N VAL A 86 -9.757 4.534 7.656 1.00 0.00 N ATOM 1032 CA VAL A 86 -9.711 3.084 7.606 1.00 0.00 C ATOM 1033 C VAL A 86 -8.513 2.629 6.799 1.00 0.00 C ATOM 1034 O VAL A 86 -8.529 2.635 5.565 1.00 0.00 O ATOM 1035 CB VAL A 86 -11.000 2.487 7.003 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -11.075 0.990 7.277 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -12.233 3.202 7.548 1.00 0.00 C ATOM 0 H VAL A 86 -10.318 4.962 6.919 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.623 2.725 8.631 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.974 2.635 5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -11.990 0.586 6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.213 0.495 6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.075 0.817 8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -13.130 2.765 7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.268 3.092 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.183 4.260 7.292 1.00 0.00 H new ATOM 1047 N THR A 87 -7.477 2.250 7.507 1.00 0.00 N ATOM 1048 CA THR A 87 -6.223 1.884 6.901 1.00 0.00 C ATOM 1049 C THR A 87 -5.401 1.098 7.925 1.00 0.00 C ATOM 1050 O THR A 87 -5.673 1.181 9.125 1.00 0.00 O ATOM 1051 CB THR A 87 -5.509 3.166 6.396 1.00 0.00 C ATOM 1052 OG1 THR A 87 -5.793 3.343 5.003 1.00 0.00 O ATOM 1053 CG2 THR A 87 -4.000 3.129 6.603 1.00 0.00 C ATOM 0 H THR A 87 -7.482 2.187 8.525 1.00 0.00 H new ATOM 0 HA THR A 87 -6.367 1.241 6.033 1.00 0.00 H new ATOM 0 HB THR A 87 -5.891 4.001 6.983 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.741 3.158 4.836 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.559 4.053 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.781 3.026 7.666 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.579 2.282 6.062 1.00 0.00 H new ATOM 1061 N GLN A 88 -4.432 0.317 7.461 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.702 -0.588 8.335 1.00 0.00 C ATOM 1063 C GLN A 88 -2.203 -0.538 8.056 1.00 0.00 C ATOM 1064 O GLN A 88 -1.763 0.053 7.069 1.00 0.00 O ATOM 1065 CB GLN A 88 -4.214 -2.020 8.149 1.00 0.00 C ATOM 1066 CG GLN A 88 -4.329 -2.808 9.441 1.00 0.00 C ATOM 1067 CD GLN A 88 -5.260 -2.153 10.443 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -6.480 -2.278 10.347 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -4.693 -1.460 11.418 1.00 0.00 N ATOM 0 H GLN A 88 -4.135 0.294 6.485 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.869 -0.270 9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.192 -1.986 7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.544 -2.549 7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.689 -3.812 9.219 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.340 -2.915 9.886 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.677 -1.380 11.463 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.272 -1.006 12.125 1.00 0.00 H new ATOM 1078 N GLN A 89 -1.430 -1.168 8.930 1.00 0.00 N ATOM 1079 CA GLN A 89 0.012 -1.247 8.760 1.00 0.00 C ATOM 1080 C GLN A 89 0.386 -2.556 8.077 1.00 0.00 C ATOM 1081 O GLN A 89 -0.080 -3.626 8.470 1.00 0.00 O ATOM 1082 CB GLN A 89 0.730 -1.164 10.110 1.00 0.00 C ATOM 1083 CG GLN A 89 0.043 -0.272 11.129 1.00 0.00 C ATOM 1084 CD GLN A 89 -0.765 -1.057 12.138 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -1.905 -1.437 11.873 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -0.188 -1.295 13.307 1.00 0.00 N ATOM 0 H GLN A 89 -1.781 -1.633 9.767 1.00 0.00 H new ATOM 0 HA GLN A 89 0.323 -0.404 8.143 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.818 -2.168 10.524 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.743 -0.797 9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.793 0.321 11.652 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.612 0.428 10.610 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.759 -0.962 13.485 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.691 -1.811 14.028 1.00 0.00 H new ATOM 1095 N THR A 90 1.205 -2.468 7.049 1.00 0.00 N ATOM 1096 CA THR A 90 1.738 -3.653 6.413 1.00 0.00 C ATOM 1097 C THR A 90 3.154 -3.909 6.910 1.00 0.00 C ATOM 1098 O THR A 90 4.061 -3.116 6.660 1.00 0.00 O ATOM 1099 CB THR A 90 1.738 -3.516 4.880 1.00 0.00 C ATOM 1100 OG1 THR A 90 0.544 -2.841 4.455 1.00 0.00 O ATOM 1101 CG2 THR A 90 1.822 -4.879 4.208 1.00 0.00 C ATOM 0 H THR A 90 1.515 -1.588 6.637 1.00 0.00 H new ATOM 0 HA THR A 90 1.098 -4.496 6.675 1.00 0.00 H new ATOM 0 HB THR A 90 2.613 -2.936 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.547 -2.754 3.479 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.820 -4.752 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.741 -5.379 4.513 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.965 -5.484 4.504 1.00 0.00 H new ATOM 1109 N LEU A 91 3.342 -5.017 7.607 1.00 0.00 N ATOM 1110 CA LEU A 91 4.633 -5.321 8.195 1.00 0.00 C ATOM 1111 C LEU A 91 5.530 -5.972 7.161 1.00 0.00 C ATOM 1112 O LEU A 91 5.357 -7.142 6.811 1.00 0.00 O ATOM 1113 CB LEU A 91 4.465 -6.238 9.411 1.00 0.00 C ATOM 1114 CG LEU A 91 5.431 -5.987 10.575 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.638 -6.911 10.485 1.00 0.00 C ATOM 1116 CD2 LEU A 91 5.877 -4.532 10.611 1.00 0.00 C ATOM 0 H LEU A 91 2.620 -5.717 7.778 1.00 0.00 H new ATOM 0 HA LEU A 91 5.096 -4.392 8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.445 -6.135 9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.582 -7.271 9.083 1.00 0.00 H new ATOM 0 HG LEU A 91 4.900 -6.203 11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.309 -6.715 11.321 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.306 -7.948 10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.164 -6.732 9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.561 -4.382 11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.383 -4.283 9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.007 -3.888 10.735 1.00 0.00 H new ATOM 1128 N THR A 92 6.477 -5.195 6.667 1.00 0.00 N ATOM 1129 CA THR A 92 7.389 -5.662 5.643 1.00 0.00 C ATOM 1130 C THR A 92 8.706 -6.110 6.261 1.00 0.00 C ATOM 1131 O THR A 92 9.476 -5.299 6.777 1.00 0.00 O ATOM 1132 CB THR A 92 7.655 -4.561 4.600 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.455 -3.804 4.385 1.00 0.00 O ATOM 1134 CG2 THR A 92 8.129 -5.157 3.286 1.00 0.00 C ATOM 0 H THR A 92 6.634 -4.231 6.962 1.00 0.00 H new ATOM 0 HA THR A 92 6.922 -6.512 5.145 1.00 0.00 H new ATOM 0 HB THR A 92 8.440 -3.908 4.980 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.625 -3.102 3.722 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.309 -4.357 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.053 -5.712 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.366 -5.830 2.895 1.00 0.00 H new ATOM 1142 N LEU A 93 8.949 -7.407 6.229 1.00 0.00 N ATOM 1143 CA LEU A 93 10.181 -7.965 6.754 1.00 0.00 C ATOM 1144 C LEU A 93 11.156 -8.219 5.624 1.00 0.00 C ATOM 1145 O LEU A 93 10.793 -8.822 4.622 1.00 0.00 O ATOM 1146 CB LEU A 93 9.905 -9.270 7.492 1.00 0.00 C ATOM 1147 CG LEU A 93 8.975 -9.147 8.699 1.00 0.00 C ATOM 1148 CD1 LEU A 93 7.644 -9.824 8.417 1.00 0.00 C ATOM 1149 CD2 LEU A 93 9.633 -9.740 9.937 1.00 0.00 C ATOM 0 H LEU A 93 8.305 -8.097 5.843 1.00 0.00 H new ATOM 0 HA LEU A 93 10.614 -7.249 7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.472 -9.982 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.854 -9.689 7.825 1.00 0.00 H new ATOM 0 HG LEU A 93 8.785 -8.090 8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.995 -9.727 9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.171 -9.352 7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.811 -10.880 8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.959 -9.645 10.788 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.852 -10.794 9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.560 -9.207 10.147 1.00 0.00 H new ATOM 1161 N THR A 94 12.384 -7.768 5.784 1.00 0.00 N ATOM 1162 CA THR A 94 13.388 -7.941 4.752 1.00 0.00 C ATOM 1163 C THR A 94 14.567 -8.705 5.315 1.00 0.00 C ATOM 1164 O THR A 94 15.072 -8.359 6.378 1.00 0.00 O ATOM 1165 CB THR A 94 13.882 -6.585 4.208 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.968 -5.543 4.581 1.00 0.00 O ATOM 1167 CG2 THR A 94 14.030 -6.628 2.694 1.00 0.00 C ATOM 0 H THR A 94 12.711 -7.279 6.618 1.00 0.00 H new ATOM 0 HA THR A 94 12.931 -8.495 3.932 1.00 0.00 H new ATOM 0 HB THR A 94 14.860 -6.379 4.643 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.071 -5.344 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.379 -5.660 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.751 -7.398 2.421 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.066 -6.857 2.240 1.00 0.00 H new ATOM 1175 N PHE A 95 14.986 -9.754 4.628 1.00 0.00 N ATOM 1176 CA PHE A 95 16.141 -10.520 5.061 1.00 0.00 C ATOM 1177 C PHE A 95 17.140 -10.653 3.926 1.00 0.00 C ATOM 1178 O PHE A 95 16.773 -10.971 2.797 1.00 0.00 O ATOM 1179 CB PHE A 95 15.748 -11.910 5.589 1.00 0.00 C ATOM 1180 CG PHE A 95 14.532 -12.528 4.945 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.251 -12.180 5.357 1.00 0.00 C ATOM 1182 CD2 PHE A 95 14.671 -13.473 3.941 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.138 -12.761 4.779 1.00 0.00 C ATOM 1184 CE2 PHE A 95 13.560 -14.061 3.362 1.00 0.00 C ATOM 1185 CZ PHE A 95 12.292 -13.703 3.779 1.00 0.00 C ATOM 0 H PHE A 95 14.546 -10.093 3.773 1.00 0.00 H new ATOM 0 HA PHE A 95 16.602 -9.976 5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.593 -12.584 5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.571 -11.836 6.662 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.124 -11.446 6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.659 -13.754 3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.149 -12.479 5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 95 13.684 -14.800 2.584 1.00 0.00 H new ATOM 0 HZ PHE A 95 11.424 -14.158 3.325 1.00 0.00 H new ATOM 1195 N ASN A 96 18.399 -10.387 4.232 1.00 0.00 N ATOM 1196 CA ASN A 96 19.461 -10.508 3.253 1.00 0.00 C ATOM 1197 C ASN A 96 19.775 -11.974 3.013 1.00 0.00 C ATOM 1198 O ASN A 96 19.412 -12.828 3.828 1.00 0.00 O ATOM 1199 CB ASN A 96 20.717 -9.772 3.728 1.00 0.00 C ATOM 1200 CG ASN A 96 21.613 -9.360 2.578 1.00 0.00 C ATOM 1201 OD1 ASN A 96 21.305 -9.610 1.411 1.00 0.00 O ATOM 1202 ND2 ASN A 96 22.732 -8.735 2.898 1.00 0.00 N ATOM 0 H ASN A 96 18.709 -10.085 5.155 1.00 0.00 H new ATOM 0 HA ASN A 96 19.129 -10.055 2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 96 20.425 -8.887 4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 96 21.276 -10.414 4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 96 23.379 -8.440 2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 96 22.949 -8.547 3.877 1.00 0.00 H new ATOM 1209 N SER A 97 20.473 -12.253 1.918 1.00 0.00 N ATOM 1210 CA SER A 97 20.784 -13.615 1.497 1.00 0.00 C ATOM 1211 C SER A 97 21.574 -14.383 2.563 1.00 0.00 C ATOM 1212 O SER A 97 21.682 -15.605 2.504 1.00 0.00 O ATOM 1213 CB SER A 97 21.569 -13.556 0.189 1.00 0.00 C ATOM 1214 OG SER A 97 21.711 -12.208 -0.239 1.00 0.00 O ATOM 0 H SER A 97 20.842 -11.536 1.293 1.00 0.00 H new ATOM 0 HA SER A 97 19.848 -14.155 1.351 1.00 0.00 H new ATOM 0 HB2 SER A 97 22.552 -14.007 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 97 21.056 -14.136 -0.578 1.00 0.00 H new ATOM 0 HG SER A 97 22.405 -11.767 0.294 1.00 0.00 H new ATOM 1220 N SER A 98 22.114 -13.659 3.536 1.00 0.00 N ATOM 1221 CA SER A 98 22.806 -14.267 4.662 1.00 0.00 C ATOM 1222 C SER A 98 21.808 -14.911 5.624 1.00 0.00 C ATOM 1223 O SER A 98 22.185 -15.650 6.537 1.00 0.00 O ATOM 1224 CB SER A 98 23.616 -13.194 5.385 1.00 0.00 C ATOM 1225 OG SER A 98 23.224 -11.901 4.950 1.00 0.00 O ATOM 0 H SER A 98 22.084 -12.640 3.566 1.00 0.00 H new ATOM 0 HA SER A 98 23.473 -15.047 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.469 -13.282 6.461 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.679 -13.342 5.195 1.00 0.00 H new ATOM 0 HG SER A 98 23.750 -11.223 5.423 1.00 0.00 H new ATOM 1231 N GLY A 99 20.532 -14.618 5.406 1.00 0.00 N ATOM 1232 CA GLY A 99 19.482 -15.132 6.258 1.00 0.00 C ATOM 1233 C GLY A 99 19.166 -14.186 7.396 1.00 0.00 C ATOM 1234 O GLY A 99 18.494 -14.558 8.344 1.00 0.00 O ATOM 0 H GLY A 99 20.205 -14.025 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.583 -15.300 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.783 -16.099 6.662 1.00 0.00 H new ATOM 1238 N VAL A 100 19.630 -12.952 7.279 1.00 0.00 N ATOM 1239 CA VAL A 100 19.553 -11.986 8.359 1.00 0.00 C ATOM 1240 C VAL A 100 18.592 -10.855 8.004 1.00 0.00 C ATOM 1241 O VAL A 100 18.678 -10.289 6.913 1.00 0.00 O ATOM 1242 CB VAL A 100 20.964 -11.418 8.652 1.00 0.00 C ATOM 1243 CG1 VAL A 100 20.905 -10.010 9.219 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.717 -12.340 9.595 1.00 0.00 C ATOM 0 H VAL A 100 20.070 -12.594 6.432 1.00 0.00 H new ATOM 0 HA VAL A 100 19.175 -12.486 9.250 1.00 0.00 H new ATOM 0 HB VAL A 100 21.499 -11.363 7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 100 21.917 -9.652 9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.415 -9.350 8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.341 -10.017 10.152 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.707 -11.929 9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.168 -12.429 10.532 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.818 -13.324 9.138 1.00 0.00 H new ATOM 1254 N LEU A 101 17.665 -10.545 8.913 1.00 0.00 N ATOM 1255 CA LEU A 101 16.761 -9.408 8.732 1.00 0.00 C ATOM 1256 C LEU A 101 17.564 -8.131 8.498 1.00 0.00 C ATOM 1257 O LEU A 101 18.301 -7.682 9.374 1.00 0.00 O ATOM 1258 CB LEU A 101 15.866 -9.222 9.965 1.00 0.00 C ATOM 1259 CG LEU A 101 14.777 -10.279 10.182 1.00 0.00 C ATOM 1260 CD1 LEU A 101 13.551 -9.649 10.819 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.397 -10.963 8.876 1.00 0.00 C ATOM 0 H LEU A 101 17.521 -11.064 9.779 1.00 0.00 H new ATOM 0 HA LEU A 101 16.133 -9.611 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.503 -9.201 10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.386 -8.246 9.895 1.00 0.00 H new ATOM 0 HG LEU A 101 15.179 -11.038 10.854 1.00 0.00 H new ATOM 0 HD11 LEU A 101 12.786 -10.411 10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.823 -9.216 11.782 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.163 -8.867 10.166 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.623 -11.706 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.022 -10.220 8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.274 -11.453 8.453 1.00 0.00 H new ATOM 1273 N THR A 102 17.428 -7.562 7.318 1.00 0.00 N ATOM 1274 CA THR A 102 18.137 -6.350 6.972 1.00 0.00 C ATOM 1275 C THR A 102 17.371 -5.127 7.455 1.00 0.00 C ATOM 1276 O THR A 102 17.964 -4.121 7.851 1.00 0.00 O ATOM 1277 CB THR A 102 18.342 -6.262 5.450 1.00 0.00 C ATOM 1278 OG1 THR A 102 17.540 -7.258 4.795 1.00 0.00 O ATOM 1279 CG2 THR A 102 19.804 -6.465 5.089 1.00 0.00 C ATOM 0 H THR A 102 16.827 -7.924 6.577 1.00 0.00 H new ATOM 0 HA THR A 102 19.110 -6.376 7.462 1.00 0.00 H new ATOM 0 HB THR A 102 18.038 -5.269 5.118 1.00 0.00 H new ATOM 0 HG1 THR A 102 17.671 -7.198 3.826 1.00 0.00 H new ATOM 0 HG21 THR A 102 19.924 -6.399 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 102 20.408 -5.695 5.569 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.130 -7.447 5.431 1.00 0.00 H new ATOM 1287 N ASN A 103 16.047 -5.229 7.444 1.00 0.00 N ATOM 1288 CA ASN A 103 15.192 -4.109 7.819 1.00 0.00 C ATOM 1289 C ASN A 103 13.747 -4.560 8.005 1.00 0.00 C ATOM 1290 O ASN A 103 13.275 -5.458 7.305 1.00 0.00 O ATOM 1291 CB ASN A 103 15.258 -3.019 6.739 1.00 0.00 C ATOM 1292 CG ASN A 103 14.219 -1.928 6.934 1.00 0.00 C ATOM 1293 OD1 ASN A 103 14.251 -1.196 7.921 1.00 0.00 O ATOM 1294 ND2 ASN A 103 13.289 -1.816 5.994 1.00 0.00 N ATOM 0 H ASN A 103 15.542 -6.075 7.180 1.00 0.00 H new ATOM 0 HA ASN A 103 15.552 -3.709 8.767 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.252 -2.572 6.742 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.117 -3.476 5.760 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.565 -1.102 6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.298 -2.444 5.190 1.00 0.00 H new ATOM 1301 N ILE A 104 13.060 -3.950 8.960 1.00 0.00 N ATOM 1302 CA ILE A 104 11.625 -4.115 9.094 1.00 0.00 C ATOM 1303 C ILE A 104 10.939 -2.804 8.744 1.00 0.00 C ATOM 1304 O ILE A 104 11.363 -1.738 9.188 1.00 0.00 O ATOM 1305 CB ILE A 104 11.200 -4.515 10.522 1.00 0.00 C ATOM 1306 CG1 ILE A 104 11.561 -5.975 10.810 1.00 0.00 C ATOM 1307 CG2 ILE A 104 9.700 -4.279 10.698 1.00 0.00 C ATOM 1308 CD1 ILE A 104 12.601 -6.134 11.898 1.00 0.00 C ATOM 0 H ILE A 104 13.479 -3.333 9.656 1.00 0.00 H new ATOM 0 HA ILE A 104 11.331 -4.918 8.418 1.00 0.00 H new ATOM 0 HB ILE A 104 11.740 -3.895 11.237 1.00 0.00 H new ATOM 0 HG12 ILE A 104 10.659 -6.514 11.099 1.00 0.00 H new ATOM 0 HG13 ILE A 104 11.930 -6.438 9.895 1.00 0.00 H new ATOM 0 HG21 ILE A 104 9.403 -4.563 11.708 1.00 0.00 H new ATOM 0 HG22 ILE A 104 9.476 -3.225 10.537 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.150 -4.881 9.975 1.00 0.00 H new ATOM 0 HD11 ILE A 104 12.809 -7.193 12.050 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.517 -5.623 11.603 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.226 -5.701 12.825 1.00 0.00 H new ATOM 1320 N ASP A 105 9.893 -2.880 7.952 1.00 0.00 N ATOM 1321 CA ASP A 105 9.121 -1.705 7.613 1.00 0.00 C ATOM 1322 C ASP A 105 7.806 -1.696 8.378 1.00 0.00 C ATOM 1323 O ASP A 105 6.881 -2.436 8.048 1.00 0.00 O ATOM 1324 CB ASP A 105 8.858 -1.674 6.117 1.00 0.00 C ATOM 1325 CG ASP A 105 8.988 -0.281 5.539 1.00 0.00 C ATOM 1326 OD1 ASP A 105 10.128 0.214 5.406 1.00 0.00 O ATOM 1327 OD2 ASP A 105 7.957 0.341 5.229 1.00 0.00 O ATOM 0 H ASP A 105 9.557 -3.745 7.530 1.00 0.00 H new ATOM 0 HA ASP A 105 9.689 -0.818 7.892 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.558 -2.341 5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.856 -2.055 5.919 1.00 0.00 H new ATOM 1332 N ASN A 106 7.744 -0.877 9.419 1.00 0.00 N ATOM 1333 CA ASN A 106 6.541 -0.758 10.237 1.00 0.00 C ATOM 1334 C ASN A 106 6.098 0.695 10.314 1.00 0.00 C ATOM 1335 O ASN A 106 6.716 1.503 11.007 1.00 0.00 O ATOM 1336 CB ASN A 106 6.794 -1.299 11.649 1.00 0.00 C ATOM 1337 CG ASN A 106 5.571 -1.194 12.546 1.00 0.00 C ATOM 1338 OD1 ASN A 106 4.434 -1.184 12.075 1.00 0.00 O ATOM 1339 ND2 ASN A 106 5.802 -1.118 13.848 1.00 0.00 N ATOM 0 H ASN A 106 8.516 -0.282 9.719 1.00 0.00 H new ATOM 0 HA ASN A 106 5.751 -1.348 9.772 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.103 -2.342 11.584 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.620 -0.750 12.102 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.022 -1.048 14.501 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.760 -1.130 14.197 1.00 0.00 H new ATOM 1346 N LYS A 107 5.044 1.027 9.586 1.00 0.00 N ATOM 1347 CA LYS A 107 4.532 2.389 9.558 1.00 0.00 C ATOM 1348 C LYS A 107 3.100 2.417 10.081 1.00 0.00 C ATOM 1349 O LYS A 107 2.284 1.584 9.698 1.00 0.00 O ATOM 1350 CB LYS A 107 4.588 2.956 8.135 1.00 0.00 C ATOM 1351 CG LYS A 107 5.819 2.528 7.350 1.00 0.00 C ATOM 1352 CD LYS A 107 7.088 3.158 7.904 1.00 0.00 C ATOM 1353 CE LYS A 107 8.271 2.207 7.814 1.00 0.00 C ATOM 1354 NZ LYS A 107 9.219 2.595 6.737 1.00 0.00 N ATOM 0 H LYS A 107 4.524 0.370 9.004 1.00 0.00 H new ATOM 0 HA LYS A 107 5.157 3.010 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.696 2.641 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.562 4.044 8.187 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.909 1.442 7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.700 2.810 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.312 4.071 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.929 3.444 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.796 2.190 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.909 1.195 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.862 1.802 6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.687 2.834 5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.772 3.421 7.042 1.00 0.00 H new ATOM 1368 N PRO A 108 2.783 3.370 10.971 1.00 0.00 N ATOM 1369 CA PRO A 108 1.470 3.451 11.619 1.00 0.00 C ATOM 1370 C PRO A 108 0.328 3.700 10.635 1.00 0.00 C ATOM 1371 O PRO A 108 0.410 4.575 9.768 1.00 0.00 O ATOM 1372 CB PRO A 108 1.615 4.628 12.587 1.00 0.00 C ATOM 1373 CG PRO A 108 2.738 5.437 12.037 1.00 0.00 C ATOM 1374 CD PRO A 108 3.680 4.449 11.411 1.00 0.00 C ATOM 0 HA PRO A 108 1.210 2.511 12.105 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.696 5.212 12.640 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.833 4.284 13.598 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.379 6.156 11.301 1.00 0.00 H new ATOM 0 HG3 PRO A 108 3.233 6.006 12.824 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.226 4.886 10.575 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.422 4.091 12.124 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.733 2.912 10.792 1.00 0.00 N ATOM 1383 CA ALA A 109 -1.937 3.016 9.970 1.00 0.00 C ATOM 1384 C ALA A 109 -2.492 4.441 9.934 1.00 0.00 C ATOM 1385 O ALA A 109 -2.893 4.930 8.881 1.00 0.00 O ATOM 1386 CB ALA A 109 -2.996 2.060 10.494 1.00 0.00 C ATOM 0 H ALA A 109 -0.782 2.178 11.498 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.665 2.749 8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.893 2.139 9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.617 1.039 10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.239 2.316 11.525 1.00 0.00 H new ATOM 1392 N LEU A 110 -2.496 5.118 11.078 1.00 0.00 N ATOM 1393 CA LEU A 110 -3.034 6.476 11.158 1.00 0.00 C ATOM 1394 C LEU A 110 -2.024 7.501 10.633 1.00 0.00 C ATOM 1395 O LEU A 110 -1.847 8.574 11.212 1.00 0.00 O ATOM 1396 CB LEU A 110 -3.425 6.814 12.598 1.00 0.00 C ATOM 1397 CG LEU A 110 -4.929 6.864 12.881 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -5.690 7.444 11.696 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -5.453 5.478 13.223 1.00 0.00 C ATOM 0 H LEU A 110 -2.135 4.753 11.959 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.924 6.520 10.531 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.973 6.076 13.261 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.993 7.781 12.855 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.089 7.518 13.738 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.756 7.468 11.924 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.339 8.457 11.498 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.521 6.823 10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.523 5.532 13.421 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.273 4.804 12.386 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.939 5.103 14.108 1.00 0.00 H new ATOM 1411 N SER A 111 -1.378 7.147 9.533 1.00 0.00 N ATOM 1412 CA SER A 111 -0.404 7.997 8.869 1.00 0.00 C ATOM 1413 C SER A 111 -0.149 7.438 7.474 1.00 0.00 C ATOM 1414 O SER A 111 -0.424 8.094 6.467 1.00 0.00 O ATOM 1415 CB SER A 111 0.906 8.059 9.665 1.00 0.00 C ATOM 1416 OG SER A 111 0.891 9.123 10.609 1.00 0.00 O ATOM 0 H SER A 111 -1.518 6.249 9.071 1.00 0.00 H new ATOM 0 HA SER A 111 -0.795 9.012 8.801 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.063 7.113 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.744 8.190 8.980 1.00 0.00 H new ATOM 0 HG SER A 111 0.002 9.187 11.016 1.00 0.00 H new ATOM 1422 N GLY A 112 0.342 6.200 7.433 1.00 0.00 N ATOM 1423 CA GLY A 112 0.559 5.507 6.178 1.00 0.00 C ATOM 1424 C GLY A 112 1.501 6.242 5.251 1.00 0.00 C ATOM 1425 O GLY A 112 2.663 6.481 5.586 1.00 0.00 O ATOM 0 H GLY A 112 0.596 5.661 8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.960 4.514 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.399 5.367 5.677 1.00 0.00 H new ATOM 1429 N ASN A 113 0.994 6.602 4.086 1.00 0.00 N ATOM 1430 CA ASN A 113 1.785 7.304 3.088 1.00 0.00 C ATOM 1431 C ASN A 113 1.436 8.785 3.074 1.00 0.00 C ATOM 1432 O ASN A 113 2.304 9.641 2.899 1.00 0.00 O ATOM 1433 CB ASN A 113 1.539 6.697 1.705 1.00 0.00 C ATOM 1434 CG ASN A 113 2.587 7.109 0.694 1.00 0.00 C ATOM 1435 OD1 ASN A 113 2.410 8.076 -0.042 1.00 0.00 O ATOM 1436 ND2 ASN A 113 3.684 6.373 0.644 1.00 0.00 N ATOM 0 H ASN A 113 0.031 6.419 3.805 1.00 0.00 H new ATOM 0 HA ASN A 113 2.839 7.198 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.526 5.610 1.786 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.555 7.002 1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.421 6.601 -0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.793 5.577 1.273 1.00 0.00 H new ATOM 1443 N LEU A 114 0.155 9.075 3.263 1.00 0.00 N ATOM 1444 CA LEU A 114 -0.334 10.450 3.287 1.00 0.00 C ATOM 1445 C LEU A 114 -1.750 10.489 3.853 1.00 0.00 C ATOM 1446 O LEU A 114 -2.530 11.397 3.557 1.00 0.00 O ATOM 1447 CB LEU A 114 -0.310 11.055 1.874 1.00 0.00 C ATOM 1448 CG LEU A 114 -1.398 10.548 0.920 1.00 0.00 C ATOM 1449 CD1 LEU A 114 -1.832 11.655 -0.030 1.00 0.00 C ATOM 1450 CD2 LEU A 114 -0.908 9.339 0.141 1.00 0.00 C ATOM 0 H LEU A 114 -0.570 8.371 3.403 1.00 0.00 H new ATOM 0 HA LEU A 114 0.320 11.042 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.402 12.138 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.663 10.852 1.427 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.260 10.245 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -2.605 11.277 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.227 12.493 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.975 11.988 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.695 8.995 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.029 9.614 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.648 8.540 0.835 1.00 0.00 H new ATOM 1462 N GLU A 115 -2.071 9.505 4.679 1.00 0.00 N ATOM 1463 CA GLU A 115 -3.423 9.355 5.192 1.00 0.00 C ATOM 1464 C GLU A 115 -3.626 10.185 6.455 1.00 0.00 C ATOM 1465 O GLU A 115 -3.608 11.417 6.399 1.00 0.00 O ATOM 1466 CB GLU A 115 -3.732 7.876 5.464 1.00 0.00 C ATOM 1467 CG GLU A 115 -5.199 7.501 5.287 1.00 0.00 C ATOM 1468 CD GLU A 115 -6.020 8.596 4.632 1.00 0.00 C ATOM 1469 OE1 GLU A 115 -5.954 8.738 3.392 1.00 0.00 O ATOM 1470 OE2 GLU A 115 -6.742 9.316 5.352 1.00 0.00 O ATOM 0 H GLU A 115 -1.413 8.798 5.008 1.00 0.00 H new ATOM 0 HA GLU A 115 -4.115 9.722 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.128 7.262 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.427 7.634 6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.266 6.595 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -5.628 7.267 6.261 1.00 0.00 H new ATOM 1477 N HIS A 116 -3.814 9.500 7.588 1.00 0.00 N ATOM 1478 CA HIS A 116 -4.190 10.137 8.854 1.00 0.00 C ATOM 1479 C HIS A 116 -5.649 10.609 8.778 1.00 0.00 C ATOM 1480 O HIS A 116 -6.452 10.302 9.660 1.00 0.00 O ATOM 1481 CB HIS A 116 -3.211 11.279 9.217 1.00 0.00 C ATOM 1482 CG HIS A 116 -3.837 12.509 9.817 1.00 0.00 C ATOM 1483 ND1 HIS A 116 -4.316 12.567 11.107 1.00 0.00 N ATOM 1484 CD2 HIS A 116 -4.042 13.739 9.289 1.00 0.00 C ATOM 1485 CE1 HIS A 116 -4.788 13.776 11.344 1.00 0.00 C ATOM 1486 NE2 HIS A 116 -4.633 14.508 10.258 1.00 0.00 N ATOM 0 H HIS A 116 -3.710 8.487 7.653 1.00 0.00 H new ATOM 0 HA HIS A 116 -4.117 9.409 9.662 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.473 10.891 9.918 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.672 11.571 8.316 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.787 14.056 8.289 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.228 14.110 12.272 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.908 15.485 10.156 1.00 0.00 H new ATOM 1495 N HIS A 117 -5.967 11.346 7.716 1.00 0.00 N ATOM 1496 CA HIS A 117 -7.334 11.727 7.387 1.00 0.00 C ATOM 1497 C HIS A 117 -7.349 12.617 6.152 1.00 0.00 C ATOM 1498 O HIS A 117 -7.159 13.830 6.249 1.00 0.00 O ATOM 1499 CB HIS A 117 -8.040 12.438 8.545 1.00 0.00 C ATOM 1500 CG HIS A 117 -9.491 12.082 8.618 1.00 0.00 C ATOM 1501 ND1 HIS A 117 -10.495 13.011 8.753 1.00 0.00 N ATOM 1502 CD2 HIS A 117 -10.103 10.880 8.524 1.00 0.00 C ATOM 1503 CE1 HIS A 117 -11.663 12.397 8.736 1.00 0.00 C ATOM 1504 NE2 HIS A 117 -11.455 11.101 8.597 1.00 0.00 N ATOM 0 H HIS A 117 -5.275 11.698 7.055 1.00 0.00 H new ATOM 0 HA HIS A 117 -7.881 10.806 7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -7.554 12.173 9.484 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -7.937 13.517 8.426 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -9.617 9.922 8.412 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -12.628 12.875 8.822 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -12.179 10.384 8.551 1.00 0.00 H new ATOM 1513 N HIS A 118 -7.538 11.999 4.993 1.00 0.00 N ATOM 1514 CA HIS A 118 -7.657 12.734 3.730 1.00 0.00 C ATOM 1515 C HIS A 118 -8.768 13.779 3.805 1.00 0.00 C ATOM 1516 O HIS A 118 -9.792 13.567 4.455 1.00 0.00 O ATOM 1517 CB HIS A 118 -7.926 11.781 2.553 1.00 0.00 C ATOM 1518 CG HIS A 118 -8.902 10.680 2.851 1.00 0.00 C ATOM 1519 ND1 HIS A 118 -8.511 9.382 3.076 1.00 0.00 N ATOM 1520 CD2 HIS A 118 -10.251 10.686 2.960 1.00 0.00 C ATOM 1521 CE1 HIS A 118 -9.571 8.636 3.308 1.00 0.00 C ATOM 1522 NE2 HIS A 118 -10.642 9.402 3.245 1.00 0.00 N ATOM 0 H HIS A 118 -7.613 10.986 4.897 1.00 0.00 H new ATOM 0 HA HIS A 118 -6.706 13.240 3.562 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -8.300 12.362 1.710 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -6.982 11.336 2.239 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -7.547 9.048 3.065 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -10.899 11.542 2.844 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -9.564 7.576 3.515 1.00 0.00 H new ATOM 1531 N HIS A 119 -8.554 14.907 3.145 1.00 0.00 N ATOM 1532 CA HIS A 119 -9.530 15.987 3.139 1.00 0.00 C ATOM 1533 C HIS A 119 -10.020 16.262 1.722 1.00 0.00 C ATOM 1534 O HIS A 119 -9.944 17.390 1.230 1.00 0.00 O ATOM 1535 CB HIS A 119 -8.926 17.256 3.742 1.00 0.00 C ATOM 1536 CG HIS A 119 -9.830 17.929 4.724 1.00 0.00 C ATOM 1537 ND1 HIS A 119 -9.369 18.648 5.805 1.00 0.00 N ATOM 1538 CD2 HIS A 119 -11.181 17.977 4.792 1.00 0.00 C ATOM 1539 CE1 HIS A 119 -10.397 19.106 6.496 1.00 0.00 C ATOM 1540 NE2 HIS A 119 -11.507 18.713 5.901 1.00 0.00 N ATOM 0 H HIS A 119 -7.710 15.099 2.605 1.00 0.00 H new ATOM 0 HA HIS A 119 -10.381 15.680 3.747 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.987 17.005 4.235 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -8.688 17.954 2.940 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.873 17.520 4.101 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -10.339 19.701 7.395 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -12.454 18.923 6.215 1.00 0.00 H new ATOM 1549 N HIS A 120 -10.532 15.225 1.076 1.00 0.00 N ATOM 1550 CA HIS A 120 -11.013 15.331 -0.294 1.00 0.00 C ATOM 1551 C HIS A 120 -12.421 15.918 -0.317 1.00 0.00 C ATOM 1552 O HIS A 120 -13.370 15.305 0.170 1.00 0.00 O ATOM 1553 CB HIS A 120 -10.992 13.952 -0.968 1.00 0.00 C ATOM 1554 CG HIS A 120 -11.630 13.911 -2.328 1.00 0.00 C ATOM 1555 ND1 HIS A 120 -11.443 14.887 -3.286 1.00 0.00 N ATOM 1556 CD2 HIS A 120 -12.454 12.993 -2.888 1.00 0.00 C ATOM 1557 CE1 HIS A 120 -12.125 14.572 -4.372 1.00 0.00 C ATOM 1558 NE2 HIS A 120 -12.746 13.427 -4.156 1.00 0.00 N ATOM 0 H HIS A 120 -10.626 14.294 1.482 1.00 0.00 H new ATOM 0 HA HIS A 120 -10.354 15.999 -0.849 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.957 13.621 -1.056 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -11.501 13.238 -0.321 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -12.814 12.087 -2.422 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -12.168 15.152 -5.282 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -13.346 12.943 -4.824 1.00 0.00 H new ATOM 1567 N HIS A 121 -12.546 17.109 -0.877 1.00 0.00 N ATOM 1568 CA HIS A 121 -13.831 17.779 -0.963 1.00 0.00 C ATOM 1569 C HIS A 121 -14.284 17.858 -2.412 1.00 0.00 C ATOM 1570 O HIS A 121 -15.137 17.043 -2.815 1.00 0.00 O ATOM 1571 CB HIS A 121 -13.734 19.185 -0.373 1.00 0.00 C ATOM 1572 CG HIS A 121 -14.270 19.304 1.018 1.00 0.00 C ATOM 1573 ND1 HIS A 121 -14.442 20.514 1.648 1.00 0.00 N ATOM 1574 CD2 HIS A 121 -14.671 18.360 1.904 1.00 0.00 C ATOM 1575 CE1 HIS A 121 -14.925 20.315 2.859 1.00 0.00 C ATOM 1576 NE2 HIS A 121 -15.077 19.016 3.041 1.00 0.00 N ATOM 1577 OXT HIS A 121 -13.772 18.729 -3.142 1.00 0.00 O ATOM 0 H HIS A 121 -11.769 17.633 -1.280 1.00 0.00 H new ATOM 0 HA HIS A 121 -14.562 17.205 -0.393 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -12.690 19.497 -0.376 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -14.275 19.876 -1.019 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -14.671 17.292 1.746 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -15.157 21.085 3.580 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -15.437 18.573 3.886 1.00 0.00 H new TER 1586 HIS A 121