USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 576 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 24 MET CE :methyl 156:sc= -0.176 (180deg=-0.771) USER MOD Set 1.2: A 71 CYS SG : rot 24:sc= -0.883 USER MOD Set 2.1: A 18 CYS SG : rot 50:sc= 0.98 USER MOD Set 2.2: A 21 CYS SG : rot 169:sc= -0.982 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0135 X(o=-0.014,f=-0.51) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 4 GLN : amide:sc= -0.0866 X(o=-0.087,f=-0.064) USER MOD Single : A 9 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0.435) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.4!) USER MOD Single : A 27 SER OG : rot 73:sc= 1.2 USER MOD Single : A 32 GLN : amide:sc= -0.0333 K(o=-0.033,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.0291 (180deg=-0.269) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.174 X(o=0.17,f=0) USER MOD Single : A 47 ASN : amide:sc= -1.36! C(o=-1.4!,f=-12!) USER MOD Single : A 49 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 51 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.356 K(o=-0.36,f=-3.3!) USER MOD Single : A 65 ASN : amide:sc= -0.488 K(o=-0.49,f=-3!) USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= -0.203 (180deg=-0.756) USER MOD Single : A 72 HIS :FLIP no HE2:sc= 0.374 F(o=-1.3,f=0.37) USER MOD Single : A 73 TYR OH : rot -169:sc= 0.105 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.197 USER MOD Single : A 85 SER OG : rot 90:sc= 0.643 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.236 30.898 0.318 1.00 15.11 N ATOM 2 CA MET A 1 -0.375 31.593 1.301 1.00 75.21 C ATOM 3 C MET A 1 0.581 30.587 1.945 1.00 43.33 C ATOM 4 O MET A 1 1.789 30.639 1.721 1.00 55.45 O ATOM 5 CB MET A 1 -1.249 32.291 2.357 1.00 20.20 C ATOM 6 CG MET A 1 -0.505 33.275 3.253 1.00 74.33 C ATOM 7 SD MET A 1 0.449 32.474 4.551 1.00 70.42 S ATOM 8 CE MET A 1 1.163 33.898 5.373 1.00 3.31 C ATOM 0 H1 MET A 1 -1.886 31.582 -0.119 1.00 15.11 H new ATOM 0 H2 MET A 1 -0.643 30.465 -0.418 1.00 15.11 H new ATOM 0 H3 MET A 1 -1.786 30.158 0.800 1.00 15.11 H new ATOM 0 HA MET A 1 0.220 32.356 0.799 1.00 75.21 H new ATOM 0 HB2 MET A 1 -2.054 32.821 1.849 1.00 20.20 H new ATOM 0 HB3 MET A 1 -1.714 31.530 2.984 1.00 20.20 H new ATOM 0 HG2 MET A 1 0.164 33.879 2.640 1.00 74.33 H new ATOM 0 HG3 MET A 1 -1.224 33.957 3.708 1.00 74.33 H new ATOM 0 HE1 MET A 1 1.784 33.565 6.204 1.00 3.31 H new ATOM 0 HE2 MET A 1 1.774 34.458 4.665 1.00 3.31 H new ATOM 0 HE3 MET A 1 0.365 34.538 5.750 1.00 3.31 H new ATOM 15 N ASN A 2 0.030 29.654 2.716 1.00 41.44 N ATOM 16 CA ASN A 2 0.820 28.585 3.321 1.00 12.12 C ATOM 17 C ASN A 2 0.237 27.229 2.952 1.00 23.30 C ATOM 18 O ASN A 2 -0.772 26.802 3.517 1.00 32.44 O ATOM 19 CB ASN A 2 0.881 28.725 4.847 1.00 34.34 C ATOM 20 CG ASN A 2 2.157 29.397 5.328 1.00 23.11 C ATOM 21 OD1 ASN A 2 2.738 30.231 4.637 1.00 71.32 O ATOM 22 ND2 ASN A 2 2.604 29.021 6.514 1.00 22.22 N ATOM 0 H ASN A 2 -0.965 29.616 2.938 1.00 41.44 H new ATOM 0 HA ASN A 2 1.835 28.663 2.933 1.00 12.12 H new ATOM 0 HB2 ASN A 2 0.021 29.302 5.189 1.00 34.34 H new ATOM 0 HB3 ASN A 2 0.803 27.737 5.301 1.00 34.34 H new ATOM 0 HD21 ASN A 2 3.462 29.427 6.888 1.00 22.22 H new ATOM 0 HD22 ASN A 2 2.091 28.325 7.055 1.00 22.22 H new ATOM 28 N ASN A 3 0.860 26.569 1.988 1.00 64.53 N ATOM 29 CA ASN A 3 0.379 25.274 1.521 1.00 44.13 C ATOM 30 C ASN A 3 0.984 24.146 2.348 1.00 64.44 C ATOM 31 O ASN A 3 2.148 23.779 2.171 1.00 72.33 O ATOM 32 CB ASN A 3 0.706 25.079 0.036 1.00 51.44 C ATOM 33 CG ASN A 3 0.126 23.796 -0.530 1.00 1.33 C ATOM 34 OD1 ASN A 3 -0.894 23.295 -0.053 1.00 35.14 O ATOM 35 ND2 ASN A 3 0.761 23.263 -1.564 1.00 60.24 N ATOM 0 H ASN A 3 1.698 26.906 1.514 1.00 64.53 H new ATOM 0 HA ASN A 3 -0.704 25.250 1.643 1.00 44.13 H new ATOM 0 HB2 ASN A 3 0.321 25.927 -0.530 1.00 51.44 H new ATOM 0 HB3 ASN A 3 1.788 25.072 -0.095 1.00 51.44 H new ATOM 0 HD21 ASN A 3 0.408 22.408 -1.994 1.00 60.24 H new ATOM 0 HD22 ASN A 3 1.603 23.708 -1.930 1.00 60.24 H new ATOM 41 N GLN A 4 0.195 23.611 3.265 1.00 43.40 N ATOM 42 CA GLN A 4 0.654 22.533 4.121 1.00 74.32 C ATOM 43 C GLN A 4 0.484 21.191 3.427 1.00 4.12 C ATOM 44 O GLN A 4 -0.615 20.643 3.366 1.00 12.43 O ATOM 45 CB GLN A 4 -0.105 22.532 5.449 1.00 21.41 C ATOM 46 CG GLN A 4 0.335 21.429 6.401 1.00 14.21 C ATOM 47 CD GLN A 4 1.789 21.549 6.807 1.00 20.40 C ATOM 48 OE1 GLN A 4 2.118 22.205 7.791 1.00 75.41 O ATOM 49 NE2 GLN A 4 2.668 20.895 6.067 1.00 62.33 N ATOM 0 H GLN A 4 -0.766 23.907 3.435 1.00 43.40 H new ATOM 0 HA GLN A 4 1.713 22.694 4.325 1.00 74.32 H new ATOM 0 HB2 GLN A 4 0.031 23.497 5.937 1.00 21.41 H new ATOM 0 HB3 GLN A 4 -1.171 22.424 5.249 1.00 21.41 H new ATOM 0 HG2 GLN A 4 -0.290 21.455 7.294 1.00 14.21 H new ATOM 0 HG3 GLN A 4 0.174 20.461 5.927 1.00 14.21 H new ATOM 0 HE21 GLN A 4 2.355 20.361 5.256 1.00 62.33 H new ATOM 0 HE22 GLN A 4 3.659 20.925 6.307 1.00 62.33 H new ATOM 56 N VAL A 5 1.575 20.678 2.892 1.00 43.34 N ATOM 57 CA VAL A 5 1.577 19.374 2.252 1.00 44.24 C ATOM 58 C VAL A 5 2.714 18.540 2.798 1.00 61.20 C ATOM 59 O VAL A 5 3.806 19.052 3.051 1.00 4.45 O ATOM 60 CB VAL A 5 1.716 19.483 0.722 1.00 33.44 C ATOM 61 CG1 VAL A 5 0.465 20.086 0.113 1.00 60.11 C ATOM 62 CG2 VAL A 5 2.940 20.306 0.366 1.00 73.31 C ATOM 0 H VAL A 5 2.480 21.149 2.888 1.00 43.34 H new ATOM 0 HA VAL A 5 0.620 18.900 2.470 1.00 44.24 H new ATOM 0 HB VAL A 5 1.841 18.481 0.310 1.00 33.44 H new ATOM 0 HG11 VAL A 5 0.583 20.154 -0.968 1.00 60.11 H new ATOM 0 HG12 VAL A 5 -0.393 19.455 0.345 1.00 60.11 H new ATOM 0 HG13 VAL A 5 0.304 21.083 0.524 1.00 60.11 H new ATOM 0 HG21 VAL A 5 3.028 20.376 -0.718 1.00 73.31 H new ATOM 0 HG22 VAL A 5 2.841 21.306 0.788 1.00 73.31 H new ATOM 0 HG23 VAL A 5 3.831 19.827 0.772 1.00 73.31 H new ATOM 72 N GLU A 6 2.452 17.265 2.995 1.00 15.43 N ATOM 73 CA GLU A 6 3.433 16.369 3.572 1.00 25.03 C ATOM 74 C GLU A 6 3.374 15.022 2.867 1.00 1.21 C ATOM 75 O GLU A 6 2.295 14.560 2.486 1.00 75.41 O ATOM 76 CB GLU A 6 3.164 16.203 5.066 1.00 71.25 C ATOM 77 CG GLU A 6 3.096 17.524 5.816 1.00 64.32 C ATOM 78 CD GLU A 6 2.858 17.346 7.301 1.00 71.14 C ATOM 79 OE1 GLU A 6 3.807 16.953 8.012 1.00 64.54 O ATOM 80 OE2 GLU A 6 1.729 17.618 7.771 1.00 33.53 O ATOM 0 H GLU A 6 1.562 16.823 2.763 1.00 15.43 H new ATOM 0 HA GLU A 6 4.430 16.789 3.442 1.00 25.03 H new ATOM 0 HB2 GLU A 6 2.224 15.668 5.201 1.00 71.25 H new ATOM 0 HB3 GLU A 6 3.949 15.585 5.503 1.00 71.25 H new ATOM 0 HG2 GLU A 6 4.027 18.070 5.665 1.00 64.32 H new ATOM 0 HG3 GLU A 6 2.297 18.134 5.395 1.00 64.32 H new ATOM 85 N PRO A 7 4.528 14.378 2.673 1.00 40.14 N ATOM 86 CA PRO A 7 4.601 13.103 1.981 1.00 32.20 C ATOM 87 C PRO A 7 4.189 11.952 2.885 1.00 15.32 C ATOM 88 O PRO A 7 4.746 11.760 3.970 1.00 44.34 O ATOM 89 CB PRO A 7 6.075 12.998 1.594 1.00 64.30 C ATOM 90 CG PRO A 7 6.798 13.770 2.642 1.00 74.32 C ATOM 91 CD PRO A 7 5.849 14.840 3.130 1.00 25.54 C ATOM 0 HA PRO A 7 3.928 13.049 1.126 1.00 32.20 H new ATOM 0 HB2 PRO A 7 6.405 11.959 1.569 1.00 64.30 H new ATOM 0 HB3 PRO A 7 6.254 13.413 0.602 1.00 64.30 H new ATOM 0 HG2 PRO A 7 7.101 13.119 3.462 1.00 74.32 H new ATOM 0 HG3 PRO A 7 7.707 14.215 2.236 1.00 74.32 H new ATOM 0 HD2 PRO A 7 5.884 14.940 4.215 1.00 25.54 H new ATOM 0 HD3 PRO A 7 6.098 15.815 2.712 1.00 25.54 H new ATOM 96 N ARG A 8 3.193 11.211 2.451 1.00 53.12 N ATOM 97 CA ARG A 8 2.716 10.074 3.209 1.00 32.10 C ATOM 98 C ARG A 8 3.070 8.775 2.494 1.00 55.35 C ATOM 99 O ARG A 8 2.465 8.417 1.488 1.00 53.22 O ATOM 100 CB ARG A 8 1.214 10.190 3.472 1.00 42.43 C ATOM 101 CG ARG A 8 0.388 10.562 2.251 1.00 41.20 C ATOM 102 CD ARG A 8 -1.068 10.776 2.627 1.00 71.15 C ATOM 103 NE ARG A 8 -1.458 12.189 2.631 1.00 32.13 N ATOM 104 CZ ARG A 8 -1.541 12.938 3.729 1.00 55.43 C ATOM 105 NH1 ARG A 8 -1.136 12.459 4.904 1.00 20.14 N ATOM 106 NH2 ARG A 8 -2.021 14.173 3.652 1.00 24.13 N ATOM 0 H ARG A 8 2.697 11.376 1.575 1.00 53.12 H new ATOM 0 HA ARG A 8 3.213 10.063 4.179 1.00 32.10 H new ATOM 0 HB2 ARG A 8 0.852 9.240 3.864 1.00 42.43 H new ATOM 0 HB3 ARG A 8 1.050 10.938 4.248 1.00 42.43 H new ATOM 0 HG2 ARG A 8 0.788 11.469 1.799 1.00 41.20 H new ATOM 0 HG3 ARG A 8 0.462 9.773 1.502 1.00 41.20 H new ATOM 0 HD2 ARG A 8 -1.702 10.232 1.927 1.00 71.15 H new ATOM 0 HD3 ARG A 8 -1.248 10.352 3.615 1.00 71.15 H new ATOM 0 HE ARG A 8 -1.680 12.626 1.736 1.00 32.13 H new ATOM 0 HH11 ARG A 8 -0.759 11.513 4.967 1.00 20.14 H new ATOM 0 HH12 ARG A 8 -1.202 13.038 5.741 1.00 20.14 H new ATOM 0 HH21 ARG A 8 -2.325 14.547 2.753 1.00 24.13 H new ATOM 0 HH22 ARG A 8 -2.085 14.748 4.492 1.00 24.13 H new ATOM 117 N LYS A 9 4.069 8.094 3.031 1.00 32.13 N ATOM 118 CA LYS A 9 4.644 6.904 2.410 1.00 72.11 C ATOM 119 C LYS A 9 3.665 5.729 2.508 1.00 43.42 C ATOM 120 O LYS A 9 2.908 5.628 3.470 1.00 65.10 O ATOM 121 CB LYS A 9 5.962 6.584 3.133 1.00 74.04 C ATOM 122 CG LYS A 9 6.991 5.801 2.332 1.00 45.22 C ATOM 123 CD LYS A 9 6.632 4.330 2.219 1.00 41.42 C ATOM 124 CE LYS A 9 7.779 3.521 1.643 1.00 63.43 C ATOM 125 NZ LYS A 9 8.946 3.479 2.563 1.00 15.24 N ATOM 0 H LYS A 9 4.509 8.350 3.915 1.00 32.13 H new ATOM 0 HA LYS A 9 4.837 7.080 1.352 1.00 72.11 H new ATOM 0 HB2 LYS A 9 6.416 7.523 3.450 1.00 74.04 H new ATOM 0 HB3 LYS A 9 5.730 6.021 4.037 1.00 74.04 H new ATOM 0 HG2 LYS A 9 7.075 6.230 1.334 1.00 45.22 H new ATOM 0 HG3 LYS A 9 7.968 5.899 2.805 1.00 45.22 H new ATOM 0 HD2 LYS A 9 6.370 3.942 3.203 1.00 41.42 H new ATOM 0 HD3 LYS A 9 5.752 4.217 1.586 1.00 41.42 H new ATOM 0 HE2 LYS A 9 7.440 2.505 1.440 1.00 63.43 H new ATOM 0 HE3 LYS A 9 8.084 3.952 0.689 1.00 63.43 H new ATOM 0 HZ1 LYS A 9 9.581 2.704 2.283 1.00 15.24 H new ATOM 0 HZ2 LYS A 9 9.459 4.382 2.514 1.00 15.24 H new ATOM 0 HZ3 LYS A 9 8.615 3.321 3.536 1.00 15.24 H new ATOM 135 N LEU A 10 3.660 4.863 1.504 1.00 2.32 N ATOM 136 CA LEU A 10 2.796 3.693 1.514 1.00 5.22 C ATOM 137 C LEU A 10 3.598 2.409 1.329 1.00 61.24 C ATOM 138 O LEU A 10 4.508 2.341 0.500 1.00 31.21 O ATOM 139 CB LEU A 10 1.741 3.808 0.415 1.00 24.13 C ATOM 140 CG LEU A 10 0.781 4.986 0.557 1.00 13.24 C ATOM 141 CD1 LEU A 10 -0.161 5.041 -0.629 1.00 34.22 C ATOM 142 CD2 LEU A 10 -0.001 4.883 1.854 1.00 62.25 C ATOM 0 H LEU A 10 4.245 4.949 0.673 1.00 2.32 H new ATOM 0 HA LEU A 10 2.304 3.650 2.486 1.00 5.22 H new ATOM 0 HB2 LEU A 10 2.248 3.887 -0.547 1.00 24.13 H new ATOM 0 HB3 LEU A 10 1.159 2.886 0.394 1.00 24.13 H new ATOM 0 HG LEU A 10 1.363 5.907 0.581 1.00 13.24 H new ATOM 0 HD11 LEU A 10 -0.840 5.886 -0.515 1.00 34.22 H new ATOM 0 HD12 LEU A 10 0.416 5.160 -1.546 1.00 34.22 H new ATOM 0 HD13 LEU A 10 -0.737 4.117 -0.680 1.00 34.22 H new ATOM 0 HD21 LEU A 10 -0.680 5.731 1.938 1.00 62.25 H new ATOM 0 HD22 LEU A 10 -0.575 3.957 1.860 1.00 62.25 H new ATOM 0 HD23 LEU A 10 0.690 4.887 2.697 1.00 62.25 H new ATOM 153 N VAL A 11 3.260 1.399 2.113 1.00 34.53 N ATOM 154 CA VAL A 11 3.887 0.092 1.996 1.00 34.13 C ATOM 155 C VAL A 11 2.869 -0.938 1.542 1.00 4.03 C ATOM 156 O VAL A 11 1.745 -0.962 2.032 1.00 32.42 O ATOM 157 CB VAL A 11 4.506 -0.377 3.335 1.00 72.03 C ATOM 158 CG1 VAL A 11 4.849 -1.862 3.284 1.00 64.21 C ATOM 159 CG2 VAL A 11 5.743 0.438 3.670 1.00 53.55 C ATOM 0 H VAL A 11 2.550 1.460 2.843 1.00 34.53 H new ATOM 0 HA VAL A 11 4.686 0.186 1.260 1.00 34.13 H new ATOM 0 HB VAL A 11 3.766 -0.222 4.120 1.00 72.03 H new ATOM 0 HG11 VAL A 11 5.283 -2.168 4.236 1.00 64.21 H new ATOM 0 HG12 VAL A 11 3.943 -2.438 3.096 1.00 64.21 H new ATOM 0 HG13 VAL A 11 5.567 -2.042 2.484 1.00 64.21 H new ATOM 0 HG21 VAL A 11 6.162 0.092 4.615 1.00 53.55 H new ATOM 0 HG22 VAL A 11 6.483 0.318 2.879 1.00 53.55 H new ATOM 0 HG23 VAL A 11 5.473 1.490 3.757 1.00 53.55 H new ATOM 169 N VAL A 12 3.255 -1.774 0.603 1.00 1.55 N ATOM 170 CA VAL A 12 2.414 -2.871 0.181 1.00 3.24 C ATOM 171 C VAL A 12 2.990 -4.183 0.697 1.00 13.43 C ATOM 172 O VAL A 12 4.029 -4.648 0.217 1.00 44.53 O ATOM 173 CB VAL A 12 2.276 -2.937 -1.354 1.00 42.50 C ATOM 174 CG1 VAL A 12 1.455 -4.150 -1.776 1.00 70.44 C ATOM 175 CG2 VAL A 12 1.659 -1.661 -1.897 1.00 74.42 C ATOM 0 H VAL A 12 4.149 -1.714 0.116 1.00 1.55 H new ATOM 0 HA VAL A 12 1.420 -2.705 0.597 1.00 3.24 H new ATOM 0 HB VAL A 12 3.276 -3.040 -1.775 1.00 42.50 H new ATOM 0 HG11 VAL A 12 1.373 -4.173 -2.863 1.00 70.44 H new ATOM 0 HG12 VAL A 12 1.945 -5.060 -1.430 1.00 70.44 H new ATOM 0 HG13 VAL A 12 0.459 -4.086 -1.338 1.00 70.44 H new ATOM 0 HG21 VAL A 12 1.572 -1.732 -2.981 1.00 74.42 H new ATOM 0 HG22 VAL A 12 0.669 -1.522 -1.462 1.00 74.42 H new ATOM 0 HG23 VAL A 12 2.292 -0.812 -1.638 1.00 74.42 H new ATOM 185 N TYR A 13 2.342 -4.756 1.697 1.00 74.15 N ATOM 186 CA TYR A 13 2.731 -6.063 2.197 1.00 0.33 C ATOM 187 C TYR A 13 2.230 -7.122 1.235 1.00 40.34 C ATOM 188 O TYR A 13 1.034 -7.188 0.948 1.00 32.32 O ATOM 189 CB TYR A 13 2.159 -6.327 3.592 1.00 45.13 C ATOM 190 CG TYR A 13 2.731 -5.462 4.690 1.00 52.14 C ATOM 191 CD1 TYR A 13 3.970 -5.748 5.248 1.00 50.25 C ATOM 192 CD2 TYR A 13 2.017 -4.381 5.191 1.00 32.12 C ATOM 193 CE1 TYR A 13 4.481 -4.986 6.275 1.00 74.22 C ATOM 194 CE2 TYR A 13 2.528 -3.606 6.214 1.00 65.35 C ATOM 195 CZ TYR A 13 3.757 -3.915 6.755 1.00 12.22 C ATOM 196 OH TYR A 13 4.259 -3.160 7.785 1.00 52.51 O ATOM 0 H TYR A 13 1.546 -4.337 2.178 1.00 74.15 H new ATOM 0 HA TYR A 13 3.818 -6.095 2.272 1.00 0.33 H new ATOM 0 HB2 TYR A 13 1.079 -6.180 3.559 1.00 45.13 H new ATOM 0 HB3 TYR A 13 2.331 -7.373 3.847 1.00 45.13 H new ATOM 0 HD1 TYR A 13 4.543 -6.582 4.870 1.00 50.25 H new ATOM 0 HD2 TYR A 13 1.049 -4.143 4.775 1.00 32.12 H new ATOM 0 HE1 TYR A 13 5.443 -5.226 6.702 1.00 74.22 H new ATOM 0 HE2 TYR A 13 1.967 -2.762 6.588 1.00 65.35 H new ATOM 0 HH TYR A 13 3.627 -2.444 8.004 1.00 52.51 H new ATOM 205 N GLY A 14 3.130 -7.938 0.721 1.00 45.22 N ATOM 206 CA GLY A 14 2.718 -8.943 -0.227 1.00 42.12 C ATOM 207 C GLY A 14 3.681 -10.100 -0.312 1.00 62.41 C ATOM 208 O GLY A 14 4.580 -10.239 0.517 1.00 44.11 O ATOM 0 H GLY A 14 4.126 -7.924 0.939 1.00 45.22 H new ATOM 0 HA2 GLY A 14 1.733 -9.317 0.053 1.00 42.12 H new ATOM 0 HA3 GLY A 14 2.618 -8.487 -1.212 1.00 42.12 H new ATOM 212 N ARG A 15 3.475 -10.933 -1.310 1.00 43.51 N ATOM 213 CA ARG A 15 4.328 -12.075 -1.566 1.00 22.41 C ATOM 214 C ARG A 15 4.240 -12.432 -3.036 1.00 42.44 C ATOM 215 O ARG A 15 3.183 -12.280 -3.651 1.00 73.22 O ATOM 216 CB ARG A 15 3.920 -13.274 -0.698 1.00 21.01 C ATOM 217 CG ARG A 15 2.428 -13.555 -0.713 1.00 21.00 C ATOM 218 CD ARG A 15 2.084 -14.860 -0.011 1.00 44.02 C ATOM 219 NE ARG A 15 2.526 -16.031 -0.769 1.00 21.14 N ATOM 220 CZ ARG A 15 1.834 -17.171 -0.851 1.00 11.23 C ATOM 221 NH1 ARG A 15 0.696 -17.314 -0.178 1.00 45.44 N ATOM 222 NH2 ARG A 15 2.285 -18.170 -1.598 1.00 3.13 N ATOM 0 H ARG A 15 2.705 -10.836 -1.972 1.00 43.51 H new ATOM 0 HA ARG A 15 5.356 -11.818 -1.309 1.00 22.41 H new ATOM 0 HB2 ARG A 15 4.452 -14.160 -1.044 1.00 21.01 H new ATOM 0 HB3 ARG A 15 4.237 -13.093 0.329 1.00 21.01 H new ATOM 0 HG2 ARG A 15 1.900 -12.733 -0.229 1.00 21.00 H new ATOM 0 HG3 ARG A 15 2.078 -13.595 -1.744 1.00 21.00 H new ATOM 0 HD2 ARG A 15 2.547 -14.872 0.976 1.00 44.02 H new ATOM 0 HD3 ARG A 15 1.006 -14.915 0.142 1.00 44.02 H new ATOM 0 HE ARG A 15 3.416 -15.974 -1.264 1.00 21.14 H new ATOM 0 HH11 ARG A 15 0.348 -16.552 0.404 1.00 45.44 H new ATOM 0 HH12 ARG A 15 0.171 -18.186 -0.243 1.00 45.44 H new ATOM 0 HH21 ARG A 15 3.161 -18.068 -2.111 1.00 3.13 H new ATOM 0 HH22 ARG A 15 1.756 -19.040 -1.660 1.00 3.13 H new ATOM 233 N GLU A 16 5.346 -12.874 -3.601 1.00 40.54 N ATOM 234 CA GLU A 16 5.392 -13.238 -5.005 1.00 52.15 C ATOM 235 C GLU A 16 4.716 -14.587 -5.217 1.00 22.13 C ATOM 236 O GLU A 16 5.355 -15.638 -5.136 1.00 54.15 O ATOM 237 CB GLU A 16 6.843 -13.261 -5.488 1.00 75.33 C ATOM 238 CG GLU A 16 7.500 -11.884 -5.469 1.00 44.45 C ATOM 239 CD GLU A 16 9.014 -11.945 -5.525 1.00 11.41 C ATOM 240 OE1 GLU A 16 9.558 -12.707 -6.354 1.00 53.13 O ATOM 241 OE2 GLU A 16 9.667 -11.241 -4.727 1.00 41.24 O ATOM 0 H GLU A 16 6.230 -12.991 -3.107 1.00 40.54 H new ATOM 0 HA GLU A 16 4.851 -12.495 -5.591 1.00 52.15 H new ATOM 0 HB2 GLU A 16 7.419 -13.941 -4.860 1.00 75.33 H new ATOM 0 HB3 GLU A 16 6.876 -13.659 -6.502 1.00 75.33 H new ATOM 0 HG2 GLU A 16 7.135 -11.302 -6.315 1.00 44.45 H new ATOM 0 HG3 GLU A 16 7.197 -11.356 -4.565 1.00 44.45 H new ATOM 246 N GLY A 17 3.410 -14.544 -5.431 1.00 51.12 N ATOM 247 CA GLY A 17 2.642 -15.750 -5.663 1.00 22.50 C ATOM 248 C GLY A 17 1.195 -15.435 -5.975 1.00 13.22 C ATOM 249 O GLY A 17 0.296 -16.200 -5.631 1.00 45.13 O ATOM 0 H GLY A 17 2.862 -13.684 -5.448 1.00 51.12 H new ATOM 0 HA2 GLY A 17 3.080 -16.308 -6.490 1.00 22.50 H new ATOM 0 HA3 GLY A 17 2.694 -16.391 -4.783 1.00 22.50 H new ATOM 253 N CYS A 18 0.983 -14.291 -6.623 1.00 12.43 N ATOM 254 CA CYS A 18 -0.348 -13.834 -6.998 1.00 4.13 C ATOM 255 C CYS A 18 -0.235 -12.623 -7.922 1.00 30.33 C ATOM 256 O CYS A 18 0.604 -11.743 -7.711 1.00 71.44 O ATOM 257 CB CYS A 18 -1.184 -13.495 -5.759 1.00 74.31 C ATOM 258 SG CYS A 18 -0.348 -12.431 -4.560 1.00 60.30 S ATOM 0 H CYS A 18 1.732 -13.657 -6.902 1.00 12.43 H new ATOM 0 HA CYS A 18 -0.857 -14.639 -7.528 1.00 4.13 H new ATOM 0 HB2 CYS A 18 -2.104 -13.007 -6.080 1.00 74.31 H new ATOM 0 HB3 CYS A 18 -1.471 -14.423 -5.265 1.00 74.31 H new ATOM 0 HG CYS A 18 0.157 -11.401 -5.172 1.00 60.30 H new ATOM 263 N HIS A 19 -1.075 -12.590 -8.946 1.00 53.01 N ATOM 264 CA HIS A 19 -0.984 -11.581 -9.995 1.00 12.40 C ATOM 265 C HIS A 19 -1.395 -10.195 -9.498 1.00 54.55 C ATOM 266 O HIS A 19 -0.897 -9.182 -9.993 1.00 2.41 O ATOM 267 CB HIS A 19 -1.851 -11.992 -11.185 1.00 34.43 C ATOM 268 CG HIS A 19 -1.573 -11.217 -12.432 1.00 5.41 C ATOM 269 ND1 HIS A 19 -2.386 -10.206 -12.883 1.00 13.33 N ATOM 270 CD2 HIS A 19 -0.572 -11.325 -13.332 1.00 42.42 C ATOM 271 CE1 HIS A 19 -1.901 -9.724 -14.010 1.00 12.10 C ATOM 272 NE2 HIS A 19 -0.799 -10.385 -14.305 1.00 24.44 N ATOM 0 H HIS A 19 -1.836 -13.257 -9.074 1.00 53.01 H new ATOM 0 HA HIS A 19 0.059 -11.518 -10.304 1.00 12.40 H new ATOM 0 HB2 HIS A 19 -1.697 -13.052 -11.386 1.00 34.43 H new ATOM 0 HB3 HIS A 19 -2.900 -11.868 -10.918 1.00 34.43 H new ATOM 0 HD1 HIS A 19 -3.233 -9.879 -12.418 1.00 13.33 H new ATOM 0 HD2 HIS A 19 0.253 -12.021 -13.293 1.00 42.42 H new ATOM 0 HE1 HIS A 19 -2.333 -8.924 -14.593 1.00 12.10 H new ATOM 279 N LEU A 20 -2.300 -10.155 -8.521 1.00 33.45 N ATOM 280 CA LEU A 20 -2.853 -8.892 -8.020 1.00 72.12 C ATOM 281 C LEU A 20 -1.766 -7.924 -7.546 1.00 42.34 C ATOM 282 O LEU A 20 -1.946 -6.708 -7.622 1.00 4.50 O ATOM 283 CB LEU A 20 -3.869 -9.135 -6.899 1.00 52.55 C ATOM 284 CG LEU A 20 -5.198 -9.754 -7.352 1.00 35.02 C ATOM 285 CD1 LEU A 20 -6.202 -9.770 -6.213 1.00 4.15 C ATOM 286 CD2 LEU A 20 -5.763 -8.993 -8.543 1.00 11.24 C ATOM 0 H LEU A 20 -2.669 -10.985 -8.057 1.00 33.45 H new ATOM 0 HA LEU A 20 -3.364 -8.426 -8.863 1.00 72.12 H new ATOM 0 HB2 LEU A 20 -3.416 -9.789 -6.154 1.00 52.55 H new ATOM 0 HB3 LEU A 20 -4.077 -8.186 -6.405 1.00 52.55 H new ATOM 0 HG LEU A 20 -5.006 -10.783 -7.655 1.00 35.02 H new ATOM 0 HD11 LEU A 20 -7.136 -10.213 -6.558 1.00 4.15 H new ATOM 0 HD12 LEU A 20 -5.805 -10.358 -5.386 1.00 4.15 H new ATOM 0 HD13 LEU A 20 -6.387 -8.750 -5.876 1.00 4.15 H new ATOM 0 HD21 LEU A 20 -6.705 -9.446 -8.850 1.00 11.24 H new ATOM 0 HD22 LEU A 20 -5.934 -7.954 -8.263 1.00 11.24 H new ATOM 0 HD23 LEU A 20 -5.054 -9.033 -9.370 1.00 11.24 H new ATOM 297 N CYS A 21 -0.652 -8.458 -7.054 1.00 15.02 N ATOM 298 CA CYS A 21 0.462 -7.625 -6.600 1.00 52.40 C ATOM 299 C CYS A 21 0.907 -6.663 -7.702 1.00 12.54 C ATOM 300 O CYS A 21 1.007 -5.455 -7.482 1.00 34.22 O ATOM 301 CB CYS A 21 1.642 -8.497 -6.171 1.00 63.21 C ATOM 302 SG CYS A 21 1.276 -9.612 -4.796 1.00 13.30 S ATOM 0 H CYS A 21 -0.495 -9.461 -6.959 1.00 15.02 H new ATOM 0 HA CYS A 21 0.118 -7.043 -5.745 1.00 52.40 H new ATOM 0 HB2 CYS A 21 1.973 -9.088 -7.025 1.00 63.21 H new ATOM 0 HB3 CYS A 21 2.473 -7.851 -5.889 1.00 63.21 H new ATOM 0 HG CYS A 21 2.252 -10.459 -4.653 1.00 13.30 H new ATOM 307 N GLU A 22 1.140 -7.206 -8.895 1.00 61.12 N ATOM 308 CA GLU A 22 1.593 -6.413 -10.034 1.00 45.14 C ATOM 309 C GLU A 22 0.529 -5.403 -10.449 1.00 31.15 C ATOM 310 O GLU A 22 0.844 -4.277 -10.845 1.00 31.32 O ATOM 311 CB GLU A 22 1.926 -7.334 -11.210 1.00 51.45 C ATOM 312 CG GLU A 22 3.121 -8.239 -10.959 1.00 21.31 C ATOM 313 CD GLU A 22 4.442 -7.495 -11.026 1.00 12.30 C ATOM 314 OE1 GLU A 22 4.591 -6.463 -10.340 1.00 52.23 O ATOM 315 OE2 GLU A 22 5.343 -7.945 -11.766 1.00 11.34 O ATOM 0 H GLU A 22 1.021 -8.199 -9.098 1.00 61.12 H new ATOM 0 HA GLU A 22 2.489 -5.866 -9.739 1.00 45.14 H new ATOM 0 HB2 GLU A 22 1.056 -7.950 -11.435 1.00 51.45 H new ATOM 0 HB3 GLU A 22 2.122 -6.725 -12.093 1.00 51.45 H new ATOM 0 HG2 GLU A 22 3.020 -8.704 -9.979 1.00 21.31 H new ATOM 0 HG3 GLU A 22 3.124 -9.043 -11.695 1.00 21.31 H new ATOM 320 N GLU A 23 -0.726 -5.810 -10.330 1.00 60.41 N ATOM 321 CA GLU A 23 -1.851 -4.982 -10.736 1.00 52.54 C ATOM 322 C GLU A 23 -2.008 -3.774 -9.821 1.00 71.12 C ATOM 323 O GLU A 23 -2.220 -2.653 -10.292 1.00 71.53 O ATOM 324 CB GLU A 23 -3.127 -5.817 -10.746 1.00 20.32 C ATOM 325 CG GLU A 23 -3.056 -6.975 -11.723 1.00 61.35 C ATOM 326 CD GLU A 23 -4.307 -7.824 -11.729 1.00 22.52 C ATOM 327 OE1 GLU A 23 -5.388 -7.296 -12.058 1.00 52.34 O ATOM 328 OE2 GLU A 23 -4.210 -9.029 -11.432 1.00 52.32 O ATOM 0 H GLU A 23 -0.992 -6.719 -9.951 1.00 60.41 H new ATOM 0 HA GLU A 23 -1.659 -4.609 -11.742 1.00 52.54 H new ATOM 0 HB2 GLU A 23 -3.313 -6.203 -9.744 1.00 20.32 H new ATOM 0 HB3 GLU A 23 -3.973 -5.179 -11.004 1.00 20.32 H new ATOM 0 HG2 GLU A 23 -2.884 -6.586 -12.726 1.00 61.35 H new ATOM 0 HG3 GLU A 23 -2.200 -7.602 -11.473 1.00 61.35 H new ATOM 333 N MET A 24 -1.895 -3.998 -8.516 1.00 70.20 N ATOM 334 CA MET A 24 -1.997 -2.902 -7.554 1.00 75.31 C ATOM 335 C MET A 24 -0.841 -1.925 -7.710 1.00 52.22 C ATOM 336 O MET A 24 -1.031 -0.719 -7.577 1.00 42.35 O ATOM 337 CB MET A 24 -2.065 -3.399 -6.107 1.00 23.34 C ATOM 338 CG MET A 24 -3.427 -3.952 -5.713 1.00 11.21 C ATOM 339 SD MET A 24 -3.620 -4.127 -3.924 1.00 41.42 S ATOM 340 CE MET A 24 -3.585 -2.413 -3.389 1.00 21.21 C ATOM 0 H MET A 24 -1.735 -4.916 -8.102 1.00 70.20 H new ATOM 0 HA MET A 24 -2.932 -2.387 -7.774 1.00 75.31 H new ATOM 0 HB2 MET A 24 -1.312 -4.174 -5.963 1.00 23.34 H new ATOM 0 HB3 MET A 24 -1.809 -2.578 -5.438 1.00 23.34 H new ATOM 0 HG2 MET A 24 -4.206 -3.293 -6.095 1.00 11.21 H new ATOM 0 HG3 MET A 24 -3.571 -4.923 -6.186 1.00 11.21 H new ATOM 0 HE1 MET A 24 -4.099 -2.320 -2.432 1.00 21.21 H new ATOM 0 HE2 MET A 24 -2.551 -2.087 -3.278 1.00 21.21 H new ATOM 0 HE3 MET A 24 -4.084 -1.790 -4.131 1.00 21.21 H new ATOM 348 N ILE A 25 0.352 -2.441 -7.997 1.00 2.31 N ATOM 349 CA ILE A 25 1.508 -1.585 -8.245 1.00 41.24 C ATOM 350 C ILE A 25 1.217 -0.630 -9.401 1.00 32.42 C ATOM 351 O ILE A 25 1.358 0.584 -9.262 1.00 53.43 O ATOM 352 CB ILE A 25 2.782 -2.402 -8.560 1.00 63.11 C ATOM 353 CG1 ILE A 25 3.181 -3.259 -7.353 1.00 2.22 C ATOM 354 CG2 ILE A 25 3.926 -1.475 -8.959 1.00 31.14 C ATOM 355 CD1 ILE A 25 4.372 -4.158 -7.612 1.00 25.14 C ATOM 0 H ILE A 25 0.542 -3.441 -8.063 1.00 2.31 H new ATOM 0 HA ILE A 25 1.691 -1.019 -7.331 1.00 41.24 H new ATOM 0 HB ILE A 25 2.568 -3.065 -9.398 1.00 63.11 H new ATOM 0 HG12 ILE A 25 3.408 -2.603 -6.512 1.00 2.22 H new ATOM 0 HG13 ILE A 25 2.330 -3.873 -7.058 1.00 2.22 H new ATOM 0 HG21 ILE A 25 4.815 -2.067 -9.177 1.00 31.14 H new ATOM 0 HG22 ILE A 25 3.642 -0.907 -9.845 1.00 31.14 H new ATOM 0 HG23 ILE A 25 4.140 -0.788 -8.140 1.00 31.14 H new ATOM 0 HD11 ILE A 25 4.596 -4.734 -6.714 1.00 25.14 H new ATOM 0 HD12 ILE A 25 4.142 -4.839 -8.432 1.00 25.14 H new ATOM 0 HD13 ILE A 25 5.236 -3.549 -7.877 1.00 25.14 H new ATOM 366 N ALA A 26 0.780 -1.185 -10.526 1.00 60.13 N ATOM 367 CA ALA A 26 0.432 -0.379 -11.692 1.00 23.13 C ATOM 368 C ALA A 26 -0.669 0.623 -11.352 1.00 10.11 C ATOM 369 O ALA A 26 -0.601 1.788 -11.743 1.00 1.31 O ATOM 370 CB ALA A 26 0.001 -1.275 -12.844 1.00 50.24 C ATOM 0 H ALA A 26 0.658 -2.189 -10.656 1.00 60.13 H new ATOM 0 HA ALA A 26 1.316 0.181 -11.997 1.00 23.13 H new ATOM 0 HB1 ALA A 26 -0.256 -0.660 -13.707 1.00 50.24 H new ATOM 0 HB2 ALA A 26 0.818 -1.947 -13.107 1.00 50.24 H new ATOM 0 HB3 ALA A 26 -0.868 -1.860 -12.544 1.00 50.24 H new ATOM 376 N SER A 27 -1.663 0.161 -10.603 1.00 71.33 N ATOM 377 CA SER A 27 -2.774 1.003 -10.177 1.00 40.13 C ATOM 378 C SER A 27 -2.278 2.197 -9.357 1.00 31.43 C ATOM 379 O SER A 27 -2.729 3.328 -9.547 1.00 24.21 O ATOM 380 CB SER A 27 -3.766 0.178 -9.352 1.00 4.11 C ATOM 381 OG SER A 27 -4.327 -0.877 -10.117 1.00 70.41 O ATOM 0 H SER A 27 -1.722 -0.803 -10.275 1.00 71.33 H new ATOM 0 HA SER A 27 -3.273 1.386 -11.067 1.00 40.13 H new ATOM 0 HB2 SER A 27 -3.261 -0.233 -8.478 1.00 4.11 H new ATOM 0 HB3 SER A 27 -4.562 0.825 -8.984 1.00 4.11 H new ATOM 0 HG SER A 27 -3.656 -1.579 -10.247 1.00 70.41 H new ATOM 386 N LEU A 28 -1.335 1.938 -8.456 1.00 3.34 N ATOM 387 CA LEU A 28 -0.783 2.981 -7.600 1.00 14.43 C ATOM 388 C LEU A 28 0.042 3.971 -8.408 1.00 44.13 C ATOM 389 O LEU A 28 -0.069 5.176 -8.207 1.00 71.23 O ATOM 390 CB LEU A 28 0.081 2.374 -6.493 1.00 52.22 C ATOM 391 CG LEU A 28 -0.677 1.555 -5.450 1.00 32.44 C ATOM 392 CD1 LEU A 28 0.292 0.930 -4.460 1.00 43.53 C ATOM 393 CD2 LEU A 28 -1.690 2.426 -4.723 1.00 52.12 C ATOM 0 H LEU A 28 -0.937 1.012 -8.300 1.00 3.34 H new ATOM 0 HA LEU A 28 -1.620 3.511 -7.146 1.00 14.43 H new ATOM 0 HB2 LEU A 28 0.837 1.737 -6.952 1.00 52.22 H new ATOM 0 HB3 LEU A 28 0.610 3.180 -5.984 1.00 52.22 H new ATOM 0 HG LEU A 28 -1.213 0.756 -5.962 1.00 32.44 H new ATOM 0 HD11 LEU A 28 -0.264 0.350 -3.724 1.00 43.53 H new ATOM 0 HD12 LEU A 28 0.983 0.275 -4.991 1.00 43.53 H new ATOM 0 HD13 LEU A 28 0.853 1.716 -3.954 1.00 43.53 H new ATOM 0 HD21 LEU A 28 -2.221 1.827 -3.984 1.00 52.12 H new ATOM 0 HD22 LEU A 28 -1.173 3.245 -4.223 1.00 52.12 H new ATOM 0 HD23 LEU A 28 -2.403 2.832 -5.441 1.00 52.12 H new ATOM 404 N ARG A 29 0.848 3.457 -9.332 1.00 1.31 N ATOM 405 CA ARG A 29 1.758 4.291 -10.114 1.00 24.23 C ATOM 406 C ARG A 29 1.009 5.335 -10.940 1.00 63.44 C ATOM 407 O ARG A 29 1.551 6.392 -11.251 1.00 43.34 O ATOM 408 CB ARG A 29 2.636 3.424 -11.011 1.00 4.52 C ATOM 409 CG ARG A 29 3.491 2.461 -10.211 1.00 20.44 C ATOM 410 CD ARG A 29 4.947 2.506 -10.629 1.00 31.24 C ATOM 411 NE ARG A 29 5.185 1.837 -11.907 1.00 52.20 N ATOM 412 CZ ARG A 29 6.374 1.368 -12.289 1.00 0.15 C ATOM 413 NH1 ARG A 29 7.450 1.576 -11.541 1.00 30.54 N ATOM 414 NH2 ARG A 29 6.498 0.722 -13.439 1.00 74.11 N ATOM 0 H ARG A 29 0.890 2.463 -9.559 1.00 1.31 H new ATOM 0 HA ARG A 29 2.394 4.830 -9.412 1.00 24.23 H new ATOM 0 HB2 ARG A 29 2.006 2.862 -11.701 1.00 4.52 H new ATOM 0 HB3 ARG A 29 3.279 4.063 -11.616 1.00 4.52 H new ATOM 0 HG2 ARG A 29 3.411 2.702 -9.151 1.00 20.44 H new ATOM 0 HG3 ARG A 29 3.110 1.448 -10.337 1.00 20.44 H new ATOM 0 HD2 ARG A 29 5.269 3.545 -10.701 1.00 31.24 H new ATOM 0 HD3 ARG A 29 5.557 2.036 -9.858 1.00 31.24 H new ATOM 0 HE ARG A 29 4.396 1.722 -12.543 1.00 52.20 H new ATOM 0 HH11 ARG A 29 7.371 2.097 -10.668 1.00 30.54 H new ATOM 0 HH12 ARG A 29 8.356 1.215 -11.839 1.00 30.54 H new ATOM 0 HH21 ARG A 29 5.683 0.582 -14.036 1.00 74.11 H new ATOM 0 HH22 ARG A 29 7.409 0.365 -13.728 1.00 74.11 H new ATOM 425 N VAL A 30 -0.241 5.039 -11.283 1.00 21.33 N ATOM 426 CA VAL A 30 -1.079 5.997 -12.002 1.00 31.11 C ATOM 427 C VAL A 30 -1.413 7.195 -11.111 1.00 51.14 C ATOM 428 O VAL A 30 -1.314 8.346 -11.542 1.00 75.52 O ATOM 429 CB VAL A 30 -2.383 5.340 -12.515 1.00 0.20 C ATOM 430 CG1 VAL A 30 -3.284 6.362 -13.198 1.00 62.41 C ATOM 431 CG2 VAL A 30 -2.055 4.202 -13.470 1.00 71.01 C ATOM 0 H VAL A 30 -0.695 4.149 -11.077 1.00 21.33 H new ATOM 0 HA VAL A 30 -0.512 6.342 -12.866 1.00 31.11 H new ATOM 0 HB VAL A 30 -2.922 4.940 -11.656 1.00 0.20 H new ATOM 0 HG11 VAL A 30 -4.192 5.871 -13.548 1.00 62.41 H new ATOM 0 HG12 VAL A 30 -3.546 7.147 -12.489 1.00 62.41 H new ATOM 0 HG13 VAL A 30 -2.759 6.800 -14.047 1.00 62.41 H new ATOM 0 HG21 VAL A 30 -2.980 3.747 -13.825 1.00 71.01 H new ATOM 0 HG22 VAL A 30 -1.493 4.590 -14.319 1.00 71.01 H new ATOM 0 HG23 VAL A 30 -1.457 3.452 -12.951 1.00 71.01 H new ATOM 441 N LEU A 31 -1.782 6.922 -9.864 1.00 2.44 N ATOM 442 CA LEU A 31 -2.091 7.979 -8.905 1.00 34.12 C ATOM 443 C LEU A 31 -0.794 8.607 -8.389 1.00 14.21 C ATOM 444 O LEU A 31 -0.759 9.776 -7.996 1.00 3.40 O ATOM 445 CB LEU A 31 -2.904 7.410 -7.735 1.00 61.34 C ATOM 446 CG LEU A 31 -4.098 8.260 -7.285 1.00 30.43 C ATOM 447 CD1 LEU A 31 -4.806 7.598 -6.116 1.00 74.13 C ATOM 448 CD2 LEU A 31 -3.657 9.667 -6.914 1.00 63.34 C ATOM 0 H LEU A 31 -1.875 5.977 -9.492 1.00 2.44 H new ATOM 0 HA LEU A 31 -2.684 8.747 -9.402 1.00 34.12 H new ATOM 0 HB2 LEU A 31 -3.269 6.422 -8.016 1.00 61.34 H new ATOM 0 HB3 LEU A 31 -2.237 7.273 -6.884 1.00 61.34 H new ATOM 0 HG LEU A 31 -4.796 8.335 -8.119 1.00 30.43 H new ATOM 0 HD11 LEU A 31 -5.651 8.213 -5.807 1.00 74.13 H new ATOM 0 HD12 LEU A 31 -5.164 6.614 -6.418 1.00 74.13 H new ATOM 0 HD13 LEU A 31 -4.111 7.492 -5.283 1.00 74.13 H new ATOM 0 HD21 LEU A 31 -4.523 10.249 -6.599 1.00 63.34 H new ATOM 0 HD22 LEU A 31 -2.936 9.619 -6.098 1.00 63.34 H new ATOM 0 HD23 LEU A 31 -3.196 10.144 -7.779 1.00 63.34 H new ATOM 459 N GLN A 32 0.274 7.820 -8.427 1.00 70.54 N ATOM 460 CA GLN A 32 1.597 8.252 -7.994 1.00 34.12 C ATOM 461 C GLN A 32 2.074 9.432 -8.839 1.00 72.12 C ATOM 462 O GLN A 32 2.958 10.185 -8.439 1.00 14.10 O ATOM 463 CB GLN A 32 2.579 7.084 -8.119 1.00 14.31 C ATOM 464 CG GLN A 32 3.853 7.246 -7.312 1.00 15.13 C ATOM 465 CD GLN A 32 4.861 6.154 -7.616 1.00 3.52 C ATOM 466 OE1 GLN A 32 4.906 5.628 -8.730 1.00 14.21 O ATOM 467 NE2 GLN A 32 5.666 5.796 -6.630 1.00 3.31 N ATOM 0 H GLN A 32 0.246 6.857 -8.762 1.00 70.54 H new ATOM 0 HA GLN A 32 1.546 8.572 -6.953 1.00 34.12 H new ATOM 0 HB2 GLN A 32 2.078 6.169 -7.804 1.00 14.31 H new ATOM 0 HB3 GLN A 32 2.842 6.958 -9.169 1.00 14.31 H new ATOM 0 HG2 GLN A 32 4.296 8.218 -7.526 1.00 15.13 H new ATOM 0 HG3 GLN A 32 3.613 7.232 -6.249 1.00 15.13 H new ATOM 0 HE21 GLN A 32 5.597 6.256 -5.722 1.00 3.31 H new ATOM 0 HE22 GLN A 32 6.356 5.060 -6.777 1.00 3.31 H new ATOM 474 N LYS A 33 1.476 9.580 -10.017 1.00 2.20 N ATOM 475 CA LYS A 33 1.796 10.680 -10.915 1.00 31.12 C ATOM 476 C LYS A 33 1.255 12.008 -10.389 1.00 14.34 C ATOM 477 O LYS A 33 1.669 13.075 -10.835 1.00 22.23 O ATOM 478 CB LYS A 33 1.226 10.408 -12.299 1.00 75.04 C ATOM 479 CG LYS A 33 1.746 9.126 -12.919 1.00 5.33 C ATOM 480 CD LYS A 33 1.397 9.056 -14.388 1.00 5.44 C ATOM 481 CE LYS A 33 -0.107 9.067 -14.613 1.00 64.53 C ATOM 482 NZ LYS A 33 -0.455 9.196 -16.052 1.00 71.22 N ATOM 0 H LYS A 33 0.761 8.945 -10.373 1.00 2.20 H new ATOM 0 HA LYS A 33 2.882 10.754 -10.974 1.00 31.12 H new ATOM 0 HB2 LYS A 33 0.139 10.357 -12.233 1.00 75.04 H new ATOM 0 HB3 LYS A 33 1.467 11.245 -12.955 1.00 75.04 H new ATOM 0 HG2 LYS A 33 2.828 9.070 -12.795 1.00 5.33 H new ATOM 0 HG3 LYS A 33 1.321 8.268 -12.399 1.00 5.33 H new ATOM 0 HD2 LYS A 33 1.849 9.900 -14.909 1.00 5.44 H new ATOM 0 HD3 LYS A 33 1.822 8.150 -14.820 1.00 5.44 H new ATOM 0 HE2 LYS A 33 -0.539 8.148 -14.217 1.00 64.53 H new ATOM 0 HE3 LYS A 33 -0.550 9.893 -14.058 1.00 64.53 H new ATOM 0 HZ1 LYS A 33 -1.489 9.199 -16.160 1.00 71.22 H new ATOM 0 HZ2 LYS A 33 -0.065 10.085 -16.425 1.00 71.22 H new ATOM 0 HZ3 LYS A 33 -0.054 8.394 -16.579 1.00 71.22 H new ATOM 492 N LYS A 34 0.323 11.936 -9.446 1.00 54.43 N ATOM 493 CA LYS A 34 -0.284 13.139 -8.886 1.00 30.03 C ATOM 494 C LYS A 34 0.189 13.380 -7.462 1.00 10.41 C ATOM 495 O LYS A 34 0.418 14.521 -7.061 1.00 53.13 O ATOM 496 CB LYS A 34 -1.815 13.052 -8.894 1.00 13.30 C ATOM 497 CG LYS A 34 -2.438 13.105 -10.278 1.00 2.04 C ATOM 498 CD LYS A 34 -2.415 11.753 -10.972 1.00 70.25 C ATOM 499 CE LYS A 34 -2.936 11.858 -12.394 1.00 61.31 C ATOM 500 NZ LYS A 34 -4.273 12.508 -12.457 1.00 13.41 N ATOM 0 H LYS A 34 -0.028 11.062 -9.054 1.00 54.43 H new ATOM 0 HA LYS A 34 0.028 13.971 -9.517 1.00 30.03 H new ATOM 0 HB2 LYS A 34 -2.117 12.124 -8.408 1.00 13.30 H new ATOM 0 HB3 LYS A 34 -2.217 13.870 -8.296 1.00 13.30 H new ATOM 0 HG2 LYS A 34 -3.468 13.452 -10.197 1.00 2.04 H new ATOM 0 HG3 LYS A 34 -1.903 13.833 -10.887 1.00 2.04 H new ATOM 0 HD2 LYS A 34 -1.397 11.364 -10.983 1.00 70.25 H new ATOM 0 HD3 LYS A 34 -3.022 11.043 -10.411 1.00 70.25 H new ATOM 0 HE2 LYS A 34 -2.229 12.427 -12.997 1.00 61.31 H new ATOM 0 HE3 LYS A 34 -2.998 10.861 -12.831 1.00 61.31 H new ATOM 0 HZ1 LYS A 34 -4.692 12.349 -13.395 1.00 13.41 H new ATOM 0 HZ2 LYS A 34 -4.892 12.100 -11.727 1.00 13.41 H new ATOM 0 HZ3 LYS A 34 -4.170 13.530 -12.292 1.00 13.41 H new ATOM 510 N SER A 35 0.325 12.310 -6.696 1.00 41.30 N ATOM 511 CA SER A 35 0.660 12.429 -5.286 1.00 23.35 C ATOM 512 C SER A 35 1.875 11.577 -4.938 1.00 64.00 C ATOM 513 O SER A 35 1.989 10.435 -5.379 1.00 4.34 O ATOM 514 CB SER A 35 -0.543 12.020 -4.432 1.00 30.32 C ATOM 515 OG SER A 35 -1.693 12.746 -4.820 1.00 2.52 O ATOM 0 H SER A 35 0.209 11.352 -7.025 1.00 41.30 H new ATOM 0 HA SER A 35 0.911 13.469 -5.076 1.00 23.35 H new ATOM 0 HB2 SER A 35 -0.727 10.951 -4.540 1.00 30.32 H new ATOM 0 HB3 SER A 35 -0.328 12.202 -3.379 1.00 30.32 H new ATOM 0 HG SER A 35 -2.454 12.473 -4.267 1.00 2.52 H new ATOM 520 N TRP A 36 2.788 12.147 -4.162 1.00 72.13 N ATOM 521 CA TRP A 36 3.957 11.419 -3.708 1.00 40.35 C ATOM 522 C TRP A 36 3.630 10.611 -2.468 1.00 44.41 C ATOM 523 O TRP A 36 3.382 11.166 -1.397 1.00 32.42 O ATOM 524 CB TRP A 36 5.115 12.367 -3.403 1.00 34.41 C ATOM 525 CG TRP A 36 6.393 11.648 -3.099 1.00 72.34 C ATOM 526 CD1 TRP A 36 6.915 11.354 -1.866 1.00 41.24 C ATOM 527 CD2 TRP A 36 7.303 11.106 -4.055 1.00 0.24 C ATOM 528 NE1 TRP A 36 8.107 10.693 -2.006 1.00 11.11 N ATOM 529 CE2 TRP A 36 8.368 10.526 -3.343 1.00 41.20 C ATOM 530 CE3 TRP A 36 7.324 11.075 -5.450 1.00 42.04 C ATOM 531 CZ2 TRP A 36 9.440 9.907 -3.986 1.00 33.33 C ATOM 532 CZ3 TRP A 36 8.384 10.459 -6.088 1.00 54.10 C ATOM 533 CH2 TRP A 36 9.433 9.888 -5.355 1.00 65.00 C ATOM 0 H TRP A 36 2.738 13.112 -3.836 1.00 72.13 H new ATOM 0 HA TRP A 36 4.258 10.747 -4.512 1.00 40.35 H new ATOM 0 HB2 TRP A 36 5.270 13.029 -4.255 1.00 34.41 H new ATOM 0 HB3 TRP A 36 4.848 12.997 -2.555 1.00 34.41 H new ATOM 0 HD1 TRP A 36 6.454 11.606 -0.922 1.00 41.24 H new ATOM 0 HE1 TRP A 36 8.703 10.377 -1.241 1.00 11.11 H new ATOM 0 HE3 TRP A 36 6.525 11.525 -6.021 1.00 42.04 H new ATOM 0 HZ2 TRP A 36 10.246 9.459 -3.424 1.00 33.33 H new ATOM 0 HZ3 TRP A 36 8.404 10.417 -7.167 1.00 54.10 H new ATOM 0 HH2 TRP A 36 10.254 9.423 -5.881 1.00 65.00 H new ATOM 543 N PHE A 37 3.616 9.304 -2.620 1.00 22.11 N ATOM 544 CA PHE A 37 3.382 8.418 -1.493 1.00 72.04 C ATOM 545 C PHE A 37 4.405 7.297 -1.469 1.00 44.21 C ATOM 546 O PHE A 37 4.322 6.389 -0.646 1.00 32.44 O ATOM 547 CB PHE A 37 1.957 7.855 -1.525 1.00 11.31 C ATOM 548 CG PHE A 37 1.555 7.238 -2.837 1.00 63.43 C ATOM 549 CD1 PHE A 37 1.839 5.913 -3.115 1.00 70.41 C ATOM 550 CD2 PHE A 37 0.871 7.983 -3.780 1.00 21.35 C ATOM 551 CE1 PHE A 37 1.457 5.345 -4.311 1.00 21.25 C ATOM 552 CE2 PHE A 37 0.486 7.420 -4.977 1.00 4.11 C ATOM 553 CZ PHE A 37 0.775 6.099 -5.242 1.00 35.23 C ATOM 0 H PHE A 37 3.763 8.829 -3.511 1.00 22.11 H new ATOM 0 HA PHE A 37 3.493 8.999 -0.578 1.00 72.04 H new ATOM 0 HB2 PHE A 37 1.860 7.104 -0.741 1.00 11.31 H new ATOM 0 HB3 PHE A 37 1.258 8.657 -1.287 1.00 11.31 H new ATOM 0 HD1 PHE A 37 2.367 5.316 -2.386 1.00 70.41 H new ATOM 0 HD2 PHE A 37 0.636 9.017 -3.576 1.00 21.35 H new ATOM 0 HE1 PHE A 37 1.691 4.311 -4.519 1.00 21.25 H new ATOM 0 HE2 PHE A 37 -0.042 8.014 -5.708 1.00 4.11 H new ATOM 0 HZ PHE A 37 0.468 5.655 -6.177 1.00 35.23 H new ATOM 562 N GLU A 38 5.380 7.387 -2.367 1.00 22.11 N ATOM 563 CA GLU A 38 6.422 6.372 -2.487 1.00 1.40 C ATOM 564 C GLU A 38 5.834 5.000 -2.809 1.00 51.41 C ATOM 565 O GLU A 38 4.631 4.855 -3.008 1.00 64.32 O ATOM 566 CB GLU A 38 7.257 6.297 -1.203 1.00 63.05 C ATOM 567 CG GLU A 38 8.190 7.474 -1.020 1.00 22.52 C ATOM 568 CD GLU A 38 9.584 7.048 -0.616 1.00 40.34 C ATOM 569 OE1 GLU A 38 9.745 6.489 0.484 1.00 14.42 O ATOM 570 OE2 GLU A 38 10.526 7.278 -1.401 1.00 41.41 O ATOM 0 H GLU A 38 5.471 8.159 -3.028 1.00 22.11 H new ATOM 0 HA GLU A 38 7.069 6.666 -3.314 1.00 1.40 H new ATOM 0 HB2 GLU A 38 6.586 6.239 -0.346 1.00 63.05 H new ATOM 0 HB3 GLU A 38 7.842 5.378 -1.213 1.00 63.05 H new ATOM 0 HG2 GLU A 38 8.241 8.041 -1.949 1.00 22.52 H new ATOM 0 HG3 GLU A 38 7.783 8.142 -0.261 1.00 22.52 H new ATOM 575 N LEU A 39 6.697 4.007 -2.894 1.00 23.33 N ATOM 576 CA LEU A 39 6.261 2.634 -3.107 1.00 25.55 C ATOM 577 C LEU A 39 7.234 1.668 -2.440 1.00 63.05 C ATOM 578 O LEU A 39 8.423 1.654 -2.760 1.00 45.23 O ATOM 579 CB LEU A 39 6.155 2.310 -4.603 1.00 3.14 C ATOM 580 CG LEU A 39 4.815 1.724 -5.068 1.00 4.25 C ATOM 581 CD1 LEU A 39 4.281 0.721 -4.058 1.00 33.03 C ATOM 582 CD2 LEU A 39 3.800 2.829 -5.328 1.00 2.20 C ATOM 0 H LEU A 39 7.708 4.122 -2.819 1.00 23.33 H new ATOM 0 HA LEU A 39 5.272 2.522 -2.662 1.00 25.55 H new ATOM 0 HB2 LEU A 39 6.346 3.223 -5.167 1.00 3.14 H new ATOM 0 HB3 LEU A 39 6.946 1.606 -4.860 1.00 3.14 H new ATOM 0 HG LEU A 39 4.985 1.196 -6.007 1.00 4.25 H new ATOM 0 HD11 LEU A 39 3.331 0.320 -4.411 1.00 33.03 H new ATOM 0 HD12 LEU A 39 4.997 -0.093 -3.940 1.00 33.03 H new ATOM 0 HD13 LEU A 39 4.132 1.215 -3.098 1.00 33.03 H new ATOM 0 HD21 LEU A 39 2.859 2.388 -5.656 1.00 2.20 H new ATOM 0 HD22 LEU A 39 3.635 3.395 -4.411 1.00 2.20 H new ATOM 0 HD23 LEU A 39 4.178 3.496 -6.103 1.00 2.20 H new ATOM 593 N GLU A 40 6.735 0.878 -1.506 1.00 23.14 N ATOM 594 CA GLU A 40 7.560 -0.118 -0.844 1.00 53.50 C ATOM 595 C GLU A 40 6.847 -1.457 -0.841 1.00 32.24 C ATOM 596 O GLU A 40 5.762 -1.590 -0.282 1.00 35.35 O ATOM 597 CB GLU A 40 7.875 0.329 0.583 1.00 24.12 C ATOM 598 CG GLU A 40 8.930 -0.506 1.287 1.00 13.31 C ATOM 599 CD GLU A 40 9.477 0.198 2.512 1.00 62.42 C ATOM 600 OE1 GLU A 40 10.239 1.173 2.344 1.00 21.34 O ATOM 601 OE2 GLU A 40 9.124 -0.194 3.640 1.00 51.31 O ATOM 0 H GLU A 40 5.766 0.906 -1.189 1.00 23.14 H new ATOM 0 HA GLU A 40 8.499 -0.226 -1.386 1.00 53.50 H new ATOM 0 HB2 GLU A 40 8.207 1.367 0.560 1.00 24.12 H new ATOM 0 HB3 GLU A 40 6.957 0.301 1.170 1.00 24.12 H new ATOM 0 HG2 GLU A 40 8.500 -1.464 1.580 1.00 13.31 H new ATOM 0 HG3 GLU A 40 9.745 -0.720 0.596 1.00 13.31 H new ATOM 606 N VAL A 41 7.452 -2.437 -1.487 1.00 44.34 N ATOM 607 CA VAL A 41 6.890 -3.779 -1.535 1.00 54.21 C ATOM 608 C VAL A 41 7.656 -4.685 -0.586 1.00 3.24 C ATOM 609 O VAL A 41 8.844 -4.943 -0.787 1.00 61.45 O ATOM 610 CB VAL A 41 6.931 -4.370 -2.963 1.00 20.14 C ATOM 611 CG1 VAL A 41 6.300 -5.754 -2.997 1.00 63.23 C ATOM 612 CG2 VAL A 41 6.234 -3.445 -3.944 1.00 60.02 C ATOM 0 H VAL A 41 8.334 -2.331 -1.987 1.00 44.34 H new ATOM 0 HA VAL A 41 5.845 -3.714 -1.232 1.00 54.21 H new ATOM 0 HB VAL A 41 7.976 -4.465 -3.259 1.00 20.14 H new ATOM 0 HG11 VAL A 41 6.341 -6.148 -4.013 1.00 63.23 H new ATOM 0 HG12 VAL A 41 6.845 -6.419 -2.327 1.00 63.23 H new ATOM 0 HG13 VAL A 41 5.261 -5.688 -2.675 1.00 63.23 H new ATOM 0 HG21 VAL A 41 6.273 -3.878 -4.943 1.00 60.02 H new ATOM 0 HG22 VAL A 41 5.194 -3.315 -3.645 1.00 60.02 H new ATOM 0 HG23 VAL A 41 6.734 -2.476 -3.949 1.00 60.02 H new ATOM 622 N ILE A 42 6.985 -5.151 0.452 1.00 14.52 N ATOM 623 CA ILE A 42 7.635 -5.961 1.463 1.00 72.45 C ATOM 624 C ILE A 42 7.112 -7.389 1.438 1.00 24.21 C ATOM 625 O ILE A 42 5.924 -7.641 1.668 1.00 52.35 O ATOM 626 CB ILE A 42 7.455 -5.353 2.870 1.00 3.52 C ATOM 627 CG1 ILE A 42 8.065 -3.948 2.899 1.00 20.45 C ATOM 628 CG2 ILE A 42 8.093 -6.244 3.930 1.00 23.41 C ATOM 629 CD1 ILE A 42 7.946 -3.248 4.233 1.00 74.43 C ATOM 0 H ILE A 42 5.992 -4.982 0.616 1.00 14.52 H new ATOM 0 HA ILE A 42 8.700 -5.977 1.231 1.00 72.45 H new ATOM 0 HB ILE A 42 6.391 -5.283 3.095 1.00 3.52 H new ATOM 0 HG12 ILE A 42 9.119 -4.016 2.630 1.00 20.45 H new ATOM 0 HG13 ILE A 42 7.580 -3.338 2.137 1.00 20.45 H new ATOM 0 HG21 ILE A 42 7.954 -5.796 4.914 1.00 23.41 H new ATOM 0 HG22 ILE A 42 7.623 -7.227 3.910 1.00 23.41 H new ATOM 0 HG23 ILE A 42 9.159 -6.347 3.726 1.00 23.41 H new ATOM 0 HD11 ILE A 42 8.402 -2.260 4.168 1.00 74.43 H new ATOM 0 HD12 ILE A 42 6.894 -3.145 4.497 1.00 74.43 H new ATOM 0 HD13 ILE A 42 8.456 -3.833 4.998 1.00 74.43 H new ATOM 640 N ASN A 43 8.008 -8.319 1.135 1.00 62.34 N ATOM 641 CA ASN A 43 7.670 -9.733 1.089 1.00 62.50 C ATOM 642 C ASN A 43 7.444 -10.275 2.493 1.00 53.34 C ATOM 643 O ASN A 43 8.394 -10.442 3.262 1.00 44.14 O ATOM 644 CB ASN A 43 8.787 -10.539 0.418 1.00 13.21 C ATOM 645 CG ASN A 43 9.019 -10.160 -1.030 1.00 23.42 C ATOM 646 OD1 ASN A 43 9.765 -9.230 -1.328 1.00 33.44 O ATOM 647 ND2 ASN A 43 8.414 -10.905 -1.943 1.00 53.21 N ATOM 0 H ASN A 43 8.983 -8.115 0.916 1.00 62.34 H new ATOM 0 HA ASN A 43 6.754 -9.834 0.507 1.00 62.50 H new ATOM 0 HB2 ASN A 43 9.713 -10.396 0.976 1.00 13.21 H new ATOM 0 HB3 ASN A 43 8.542 -11.600 0.473 1.00 13.21 H new ATOM 0 HD21 ASN A 43 8.560 -10.715 -2.935 1.00 53.21 H new ATOM 0 HD22 ASN A 43 7.802 -11.668 -1.655 1.00 53.21 H new ATOM 653 N ILE A 44 6.189 -10.542 2.827 1.00 30.24 N ATOM 654 CA ILE A 44 5.860 -11.149 4.113 1.00 53.22 C ATOM 655 C ILE A 44 6.192 -12.635 4.077 1.00 75.34 C ATOM 656 O ILE A 44 6.191 -13.314 5.101 1.00 1.03 O ATOM 657 CB ILE A 44 4.370 -10.969 4.482 1.00 70.11 C ATOM 658 CG1 ILE A 44 3.470 -11.794 3.558 1.00 32.02 C ATOM 659 CG2 ILE A 44 3.988 -9.497 4.423 1.00 2.24 C ATOM 660 CD1 ILE A 44 2.032 -11.861 4.023 1.00 22.14 C ATOM 0 H ILE A 44 5.384 -10.350 2.230 1.00 30.24 H new ATOM 0 HA ILE A 44 6.455 -10.643 4.873 1.00 53.22 H new ATOM 0 HB ILE A 44 4.225 -11.330 5.500 1.00 70.11 H new ATOM 0 HG12 ILE A 44 3.501 -11.366 2.556 1.00 32.02 H new ATOM 0 HG13 ILE A 44 3.868 -12.806 3.484 1.00 32.02 H new ATOM 0 HG21 ILE A 44 2.936 -9.383 4.685 1.00 2.24 H new ATOM 0 HG22 ILE A 44 4.600 -8.934 5.127 1.00 2.24 H new ATOM 0 HG23 ILE A 44 4.154 -9.118 3.414 1.00 2.24 H new ATOM 0 HD11 ILE A 44 1.451 -12.461 3.323 1.00 22.14 H new ATOM 0 HD12 ILE A 44 1.990 -12.317 5.012 1.00 22.14 H new ATOM 0 HD13 ILE A 44 1.617 -10.854 4.070 1.00 22.14 H new ATOM 671 N ASP A 45 6.481 -13.105 2.866 1.00 24.43 N ATOM 672 CA ASP A 45 6.834 -14.498 2.590 1.00 4.22 C ATOM 673 C ASP A 45 7.874 -15.047 3.568 1.00 74.24 C ATOM 674 O ASP A 45 7.786 -16.195 4.005 1.00 71.24 O ATOM 675 CB ASP A 45 7.367 -14.598 1.154 1.00 62.15 C ATOM 676 CG ASP A 45 7.820 -15.995 0.779 1.00 31.20 C ATOM 677 OD1 ASP A 45 9.013 -16.315 0.973 1.00 33.10 O ATOM 678 OD2 ASP A 45 6.994 -16.768 0.258 1.00 40.34 O ATOM 0 H ASP A 45 6.477 -12.518 2.032 1.00 24.43 H new ATOM 0 HA ASP A 45 5.935 -15.102 2.713 1.00 4.22 H new ATOM 0 HB2 ASP A 45 6.588 -14.278 0.462 1.00 62.15 H new ATOM 0 HB3 ASP A 45 8.203 -13.908 1.035 1.00 62.15 H new ATOM 682 N GLY A 46 8.846 -14.220 3.924 1.00 34.23 N ATOM 683 CA GLY A 46 9.923 -14.675 4.783 1.00 65.12 C ATOM 684 C GLY A 46 9.707 -14.317 6.239 1.00 63.24 C ATOM 685 O GLY A 46 10.656 -14.281 7.017 1.00 75.25 O ATOM 0 H GLY A 46 8.909 -13.244 3.635 1.00 34.23 H new ATOM 0 HA2 GLY A 46 10.022 -15.757 4.691 1.00 65.12 H new ATOM 0 HA3 GLY A 46 10.862 -14.239 4.442 1.00 65.12 H new ATOM 689 N ASN A 47 8.462 -14.056 6.614 1.00 30.31 N ATOM 690 CA ASN A 47 8.143 -13.700 7.990 1.00 11.13 C ATOM 691 C ASN A 47 6.887 -14.416 8.448 1.00 20.52 C ATOM 692 O ASN A 47 5.792 -14.117 7.975 1.00 65.30 O ATOM 693 CB ASN A 47 7.942 -12.191 8.118 1.00 71.50 C ATOM 694 CG ASN A 47 7.908 -11.724 9.558 1.00 31.03 C ATOM 695 OD1 ASN A 47 6.855 -11.683 10.185 1.00 64.32 O ATOM 696 ND2 ASN A 47 9.067 -11.358 10.086 1.00 64.14 N ATOM 0 H ASN A 47 7.658 -14.084 5.987 1.00 30.31 H new ATOM 0 HA ASN A 47 8.978 -14.006 8.620 1.00 11.13 H new ATOM 0 HB2 ASN A 47 8.746 -11.676 7.593 1.00 71.50 H new ATOM 0 HB3 ASN A 47 7.010 -11.910 7.628 1.00 71.50 H new ATOM 0 HD21 ASN A 47 9.106 -11.026 11.050 1.00 64.14 H new ATOM 0 HD22 ASN A 47 9.920 -11.408 9.529 1.00 64.14 H new ATOM 702 N GLU A 48 7.050 -15.364 9.359 1.00 63.35 N ATOM 703 CA GLU A 48 5.921 -16.114 9.895 1.00 15.41 C ATOM 704 C GLU A 48 4.900 -15.201 10.560 1.00 3.12 C ATOM 705 O GLU A 48 3.704 -15.458 10.488 1.00 23.54 O ATOM 706 CB GLU A 48 6.398 -17.176 10.887 1.00 63.04 C ATOM 707 CG GLU A 48 6.968 -18.417 10.222 1.00 44.40 C ATOM 708 CD GLU A 48 5.918 -19.195 9.455 1.00 22.34 C ATOM 709 OE1 GLU A 48 5.649 -18.858 8.284 1.00 41.24 O ATOM 710 OE2 GLU A 48 5.348 -20.147 10.023 1.00 21.44 O ATOM 0 H GLU A 48 7.955 -15.633 9.744 1.00 63.35 H new ATOM 0 HA GLU A 48 5.433 -16.606 9.054 1.00 15.41 H new ATOM 0 HB2 GLU A 48 7.158 -16.740 11.536 1.00 63.04 H new ATOM 0 HB3 GLU A 48 5.563 -17.467 11.525 1.00 63.04 H new ATOM 0 HG2 GLU A 48 7.769 -18.126 9.543 1.00 44.40 H new ATOM 0 HG3 GLU A 48 7.412 -19.061 10.981 1.00 44.40 H new ATOM 715 N HIS A 49 5.362 -14.123 11.180 1.00 73.45 N ATOM 716 CA HIS A 49 4.453 -13.218 11.877 1.00 43.12 C ATOM 717 C HIS A 49 3.528 -12.527 10.885 1.00 33.45 C ATOM 718 O HIS A 49 2.307 -12.560 11.028 1.00 21.02 O ATOM 719 CB HIS A 49 5.221 -12.176 12.699 1.00 12.33 C ATOM 720 CG HIS A 49 5.944 -12.749 13.883 1.00 23.24 C ATOM 721 ND1 HIS A 49 6.930 -12.072 14.562 1.00 1.22 N ATOM 722 CD2 HIS A 49 5.804 -13.937 14.519 1.00 4.14 C ATOM 723 CE1 HIS A 49 7.368 -12.817 15.560 1.00 64.31 C ATOM 724 NE2 HIS A 49 6.697 -13.955 15.560 1.00 35.25 N ATOM 0 H HIS A 49 6.346 -13.855 11.216 1.00 73.45 H new ATOM 0 HA HIS A 49 3.854 -13.814 12.565 1.00 43.12 H new ATOM 0 HB2 HIS A 49 5.942 -11.677 12.052 1.00 12.33 H new ATOM 0 HB3 HIS A 49 4.523 -11.414 13.046 1.00 12.33 H new ATOM 0 HD2 HIS A 49 5.115 -14.726 14.255 1.00 4.14 H new ATOM 0 HE1 HIS A 49 8.144 -12.542 16.259 1.00 64.31 H new ATOM 0 HE2 HIS A 49 6.822 -14.720 16.223 1.00 35.25 H new ATOM 731 N LEU A 50 4.121 -11.925 9.864 1.00 55.12 N ATOM 732 CA LEU A 50 3.358 -11.251 8.825 1.00 34.42 C ATOM 733 C LEU A 50 2.535 -12.251 8.016 1.00 14.32 C ATOM 734 O LEU A 50 1.394 -11.971 7.648 1.00 41.34 O ATOM 735 CB LEU A 50 4.292 -10.463 7.905 1.00 22.10 C ATOM 736 CG LEU A 50 5.070 -9.331 8.581 1.00 22.01 C ATOM 737 CD1 LEU A 50 6.005 -8.660 7.586 1.00 2.44 C ATOM 738 CD2 LEU A 50 4.113 -8.313 9.185 1.00 73.43 C ATOM 0 H LEU A 50 5.132 -11.890 9.733 1.00 55.12 H new ATOM 0 HA LEU A 50 2.670 -10.555 9.306 1.00 34.42 H new ATOM 0 HB2 LEU A 50 5.005 -11.156 7.458 1.00 22.10 H new ATOM 0 HB3 LEU A 50 3.703 -10.042 7.090 1.00 22.10 H new ATOM 0 HG LEU A 50 5.671 -9.757 9.385 1.00 22.01 H new ATOM 0 HD11 LEU A 50 6.550 -7.858 8.083 1.00 2.44 H new ATOM 0 HD12 LEU A 50 6.712 -9.394 7.199 1.00 2.44 H new ATOM 0 HD13 LEU A 50 5.423 -8.247 6.762 1.00 2.44 H new ATOM 0 HD21 LEU A 50 4.683 -7.515 9.661 1.00 73.43 H new ATOM 0 HD22 LEU A 50 3.487 -7.891 8.399 1.00 73.43 H new ATOM 0 HD23 LEU A 50 3.483 -8.802 9.928 1.00 73.43 H new ATOM 749 N THR A 51 3.112 -13.418 7.744 1.00 32.34 N ATOM 750 CA THR A 51 2.400 -14.471 7.023 1.00 71.34 C ATOM 751 C THR A 51 1.166 -14.942 7.803 1.00 41.51 C ATOM 752 O THR A 51 0.105 -15.155 7.231 1.00 74.41 O ATOM 753 CB THR A 51 3.316 -15.681 6.735 1.00 74.44 C ATOM 754 OG1 THR A 51 4.430 -15.270 5.935 1.00 24.53 O ATOM 755 CG2 THR A 51 2.559 -16.785 6.010 1.00 54.12 C ATOM 0 H THR A 51 4.067 -13.659 8.010 1.00 32.34 H new ATOM 0 HA THR A 51 2.079 -14.041 6.074 1.00 71.34 H new ATOM 0 HB THR A 51 3.668 -16.070 7.691 1.00 74.44 H new ATOM 0 HG1 THR A 51 5.061 -14.763 6.488 1.00 24.53 H new ATOM 0 HG21 THR A 51 3.230 -17.623 5.821 1.00 54.12 H new ATOM 0 HG22 THR A 51 1.725 -17.120 6.627 1.00 54.12 H new ATOM 0 HG23 THR A 51 2.179 -16.404 5.062 1.00 54.12 H new ATOM 763 N ARG A 52 1.298 -15.079 9.109 1.00 33.13 N ATOM 764 CA ARG A 52 0.189 -15.538 9.938 1.00 25.11 C ATOM 765 C ARG A 52 -0.832 -14.424 10.131 1.00 31.12 C ATOM 766 O ARG A 52 -2.029 -14.680 10.259 1.00 63.13 O ATOM 767 CB ARG A 52 0.698 -16.062 11.280 1.00 53.24 C ATOM 768 CG ARG A 52 1.425 -17.390 11.149 1.00 5.11 C ATOM 769 CD ARG A 52 2.082 -17.828 12.450 1.00 34.13 C ATOM 770 NE ARG A 52 1.127 -17.964 13.550 1.00 34.43 N ATOM 771 CZ ARG A 52 0.272 -18.980 13.684 1.00 21.40 C ATOM 772 NH1 ARG A 52 0.233 -19.956 12.783 1.00 43.15 N ATOM 773 NH2 ARG A 52 -0.522 -19.026 14.743 1.00 13.22 N ATOM 0 H ARG A 52 2.157 -14.881 9.621 1.00 33.13 H new ATOM 0 HA ARG A 52 -0.307 -16.362 9.426 1.00 25.11 H new ATOM 0 HB2 ARG A 52 1.369 -15.326 11.723 1.00 53.24 H new ATOM 0 HB3 ARG A 52 -0.143 -16.178 11.964 1.00 53.24 H new ATOM 0 HG2 ARG A 52 0.720 -18.156 10.827 1.00 5.11 H new ATOM 0 HG3 ARG A 52 2.185 -17.309 10.372 1.00 5.11 H new ATOM 0 HD2 ARG A 52 2.587 -18.781 12.294 1.00 34.13 H new ATOM 0 HD3 ARG A 52 2.848 -17.103 12.727 1.00 34.13 H new ATOM 0 HE ARG A 52 1.114 -17.234 14.262 1.00 34.43 H new ATOM 0 HH11 ARG A 52 0.860 -19.933 11.979 1.00 43.15 H new ATOM 0 HH12 ARG A 52 -0.424 -20.728 12.895 1.00 43.15 H new ATOM 0 HH21 ARG A 52 -0.477 -18.289 15.447 1.00 13.22 H new ATOM 0 HH22 ARG A 52 -1.179 -19.798 14.855 1.00 13.22 H new ATOM 784 N LEU A 53 -0.347 -13.190 10.156 1.00 21.43 N ATOM 785 CA LEU A 53 -1.218 -12.025 10.207 1.00 13.03 C ATOM 786 C LEU A 53 -2.068 -11.924 8.947 1.00 53.34 C ATOM 787 O LEU A 53 -3.291 -11.796 9.019 1.00 50.05 O ATOM 788 CB LEU A 53 -0.394 -10.746 10.367 1.00 4.23 C ATOM 789 CG LEU A 53 -0.009 -10.388 11.801 1.00 4.13 C ATOM 790 CD1 LEU A 53 1.017 -9.266 11.810 1.00 13.41 C ATOM 791 CD2 LEU A 53 -1.248 -9.980 12.587 1.00 31.32 C ATOM 0 H LEU A 53 0.649 -12.970 10.142 1.00 21.43 H new ATOM 0 HA LEU A 53 -1.876 -12.141 11.068 1.00 13.03 H new ATOM 0 HB2 LEU A 53 0.518 -10.846 9.778 1.00 4.23 H new ATOM 0 HB3 LEU A 53 -0.958 -9.915 9.942 1.00 4.23 H new ATOM 0 HG LEU A 53 0.435 -11.264 12.274 1.00 4.13 H new ATOM 0 HD11 LEU A 53 1.281 -9.023 12.839 1.00 13.41 H new ATOM 0 HD12 LEU A 53 1.910 -9.585 11.272 1.00 13.41 H new ATOM 0 HD13 LEU A 53 0.597 -8.385 11.325 1.00 13.41 H new ATOM 0 HD21 LEU A 53 -0.964 -9.727 13.608 1.00 31.32 H new ATOM 0 HD22 LEU A 53 -1.710 -9.114 12.113 1.00 31.32 H new ATOM 0 HD23 LEU A 53 -1.958 -10.807 12.603 1.00 31.32 H new ATOM 802 N TYR A 54 -1.413 -11.990 7.795 1.00 34.32 N ATOM 803 CA TYR A 54 -2.085 -11.770 6.524 1.00 64.34 C ATOM 804 C TYR A 54 -2.208 -13.065 5.721 1.00 4.00 C ATOM 805 O TYR A 54 -3.293 -13.635 5.625 1.00 20.41 O ATOM 806 CB TYR A 54 -1.329 -10.724 5.696 1.00 71.25 C ATOM 807 CG TYR A 54 -0.963 -9.472 6.466 1.00 45.24 C ATOM 808 CD1 TYR A 54 -1.943 -8.650 7.009 1.00 71.33 C ATOM 809 CD2 TYR A 54 0.367 -9.120 6.655 1.00 42.11 C ATOM 810 CE1 TYR A 54 -1.606 -7.513 7.716 1.00 72.02 C ATOM 811 CE2 TYR A 54 0.710 -7.983 7.360 1.00 53.11 C ATOM 812 CZ TYR A 54 -0.278 -7.182 7.887 1.00 44.14 C ATOM 813 OH TYR A 54 0.063 -6.044 8.584 1.00 14.21 O ATOM 0 H TYR A 54 -0.417 -12.194 7.716 1.00 34.32 H new ATOM 0 HA TYR A 54 -3.089 -11.407 6.744 1.00 64.34 H new ATOM 0 HB2 TYR A 54 -0.418 -11.176 5.304 1.00 71.25 H new ATOM 0 HB3 TYR A 54 -1.940 -10.444 4.838 1.00 71.25 H new ATOM 0 HD1 TYR A 54 -2.984 -8.904 6.876 1.00 71.33 H new ATOM 0 HD2 TYR A 54 1.146 -9.745 6.244 1.00 42.11 H new ATOM 0 HE1 TYR A 54 -2.379 -6.885 8.134 1.00 72.02 H new ATOM 0 HE2 TYR A 54 1.749 -7.723 7.497 1.00 53.11 H new ATOM 0 HH TYR A 54 1.039 -5.958 8.613 1.00 14.21 H new ATOM 822 N ASN A 55 -1.073 -13.530 5.185 1.00 61.32 N ATOM 823 CA ASN A 55 -1.022 -14.633 4.201 1.00 4.51 C ATOM 824 C ASN A 55 -1.982 -14.396 3.035 1.00 13.35 C ATOM 825 O ASN A 55 -1.573 -13.929 1.975 1.00 42.41 O ATOM 826 CB ASN A 55 -1.313 -15.997 4.844 1.00 34.33 C ATOM 827 CG ASN A 55 -0.925 -17.166 3.944 1.00 43.53 C ATOM 828 OD1 ASN A 55 -0.985 -17.080 2.716 1.00 0.44 O ATOM 829 ND2 ASN A 55 -0.508 -18.264 4.554 1.00 64.21 N ATOM 0 H ASN A 55 -0.155 -13.153 5.420 1.00 61.32 H new ATOM 0 HA ASN A 55 -0.002 -14.648 3.816 1.00 4.51 H new ATOM 0 HB2 ASN A 55 -0.770 -16.073 5.786 1.00 34.33 H new ATOM 0 HB3 ASN A 55 -2.375 -16.063 5.081 1.00 34.33 H new ATOM 0 HD21 ASN A 55 -0.223 -19.075 4.005 1.00 64.21 H new ATOM 0 HD22 ASN A 55 -0.472 -18.299 5.573 1.00 64.21 H new ATOM 835 N ASP A 56 -3.256 -14.713 3.240 1.00 24.20 N ATOM 836 CA ASP A 56 -4.266 -14.578 2.199 1.00 52.02 C ATOM 837 C ASP A 56 -4.916 -13.198 2.274 1.00 33.53 C ATOM 838 O ASP A 56 -5.908 -12.917 1.612 1.00 71.22 O ATOM 839 CB ASP A 56 -5.316 -15.684 2.335 1.00 42.13 C ATOM 840 CG ASP A 56 -6.268 -15.748 1.154 1.00 20.32 C ATOM 841 OD1 ASP A 56 -5.849 -16.203 0.065 1.00 62.41 O ATOM 842 OD2 ASP A 56 -7.442 -15.357 1.311 1.00 24.11 O ATOM 0 H ASP A 56 -3.615 -15.068 4.126 1.00 24.20 H new ATOM 0 HA ASP A 56 -3.788 -14.679 1.225 1.00 52.02 H new ATOM 0 HB2 ASP A 56 -4.812 -16.645 2.441 1.00 42.13 H new ATOM 0 HB3 ASP A 56 -5.889 -15.523 3.248 1.00 42.13 H new ATOM 846 N ARG A 57 -4.354 -12.341 3.106 1.00 34.32 N ATOM 847 CA ARG A 57 -4.721 -10.938 3.117 1.00 72.41 C ATOM 848 C ARG A 57 -3.550 -10.112 2.619 1.00 52.30 C ATOM 849 O ARG A 57 -3.188 -9.112 3.234 1.00 30.41 O ATOM 850 CB ARG A 57 -5.116 -10.465 4.519 1.00 60.30 C ATOM 851 CG ARG A 57 -6.611 -10.256 4.706 1.00 15.24 C ATOM 852 CD ARG A 57 -7.347 -11.572 4.861 1.00 72.01 C ATOM 853 NE ARG A 57 -6.916 -12.284 6.058 1.00 30.14 N ATOM 854 CZ ARG A 57 -6.852 -13.608 6.156 1.00 61.33 C ATOM 855 NH1 ARG A 57 -7.250 -14.370 5.145 1.00 34.21 N ATOM 856 NH2 ARG A 57 -6.399 -14.165 7.272 1.00 25.24 N ATOM 0 H ARG A 57 -3.638 -12.594 3.786 1.00 34.32 H new ATOM 0 HA ARG A 57 -5.585 -10.810 2.464 1.00 72.41 H new ATOM 0 HB2 ARG A 57 -4.768 -11.196 5.249 1.00 60.30 H new ATOM 0 HB3 ARG A 57 -4.600 -9.529 4.734 1.00 60.30 H new ATOM 0 HG2 ARG A 57 -6.784 -9.636 5.586 1.00 15.24 H new ATOM 0 HG3 ARG A 57 -7.012 -9.713 3.850 1.00 15.24 H new ATOM 0 HD2 ARG A 57 -8.420 -11.387 4.912 1.00 72.01 H new ATOM 0 HD3 ARG A 57 -7.173 -12.194 3.983 1.00 72.01 H new ATOM 0 HE ARG A 57 -6.647 -11.731 6.872 1.00 30.14 H new ATOM 0 HH11 ARG A 57 -7.606 -13.940 4.291 1.00 34.21 H new ATOM 0 HH12 ARG A 57 -7.200 -15.386 5.222 1.00 34.21 H new ATOM 0 HH21 ARG A 57 -6.101 -13.577 8.051 1.00 25.24 H new ATOM 0 HH22 ARG A 57 -6.348 -15.181 7.351 1.00 25.24 H new ATOM 867 N VAL A 58 -2.948 -10.536 1.510 1.00 12.01 N ATOM 868 CA VAL A 58 -1.805 -9.835 0.966 1.00 72.25 C ATOM 869 C VAL A 58 -2.255 -8.632 0.136 1.00 3.52 C ATOM 870 O VAL A 58 -3.286 -8.042 0.464 1.00 44.31 O ATOM 871 CB VAL A 58 -0.844 -10.761 0.192 1.00 53.31 C ATOM 872 CG1 VAL A 58 0.234 -11.280 1.111 1.00 33.44 C ATOM 873 CG2 VAL A 58 -1.585 -11.906 -0.473 1.00 14.21 C ATOM 0 H VAL A 58 -3.236 -11.358 0.979 1.00 12.01 H new ATOM 0 HA VAL A 58 -1.224 -9.460 1.808 1.00 72.25 H new ATOM 0 HB VAL A 58 -0.377 -10.175 -0.599 1.00 53.31 H new ATOM 0 HG11 VAL A 58 0.905 -11.932 0.552 1.00 33.44 H new ATOM 0 HG12 VAL A 58 0.799 -10.442 1.519 1.00 33.44 H new ATOM 0 HG13 VAL A 58 -0.222 -11.842 1.926 1.00 33.44 H new ATOM 0 HG21 VAL A 58 -0.875 -12.537 -1.008 1.00 14.21 H new ATOM 0 HG22 VAL A 58 -2.096 -12.498 0.286 1.00 14.21 H new ATOM 0 HG23 VAL A 58 -2.317 -11.507 -1.175 1.00 14.21 H new ATOM 883 N PRO A 59 -1.591 -8.310 -1.002 1.00 21.12 N ATOM 884 CA PRO A 59 -1.307 -6.953 -1.376 1.00 51.52 C ATOM 885 C PRO A 59 -1.983 -5.911 -0.485 1.00 51.13 C ATOM 886 O PRO A 59 -2.938 -5.247 -0.888 1.00 4.34 O ATOM 887 CB PRO A 59 -1.794 -6.899 -2.822 1.00 33.33 C ATOM 888 CG PRO A 59 -1.645 -8.307 -3.331 1.00 51.11 C ATOM 889 CD PRO A 59 -1.267 -9.170 -2.146 1.00 25.44 C ATOM 0 HA PRO A 59 -0.252 -6.702 -1.262 1.00 51.52 H new ATOM 0 HB2 PRO A 59 -2.830 -6.566 -2.878 1.00 33.33 H new ATOM 0 HB3 PRO A 59 -1.202 -6.200 -3.413 1.00 33.33 H new ATOM 0 HG2 PRO A 59 -2.575 -8.655 -3.780 1.00 51.11 H new ATOM 0 HG3 PRO A 59 -0.879 -8.358 -4.105 1.00 51.11 H new ATOM 0 HD2 PRO A 59 -1.834 -10.101 -2.126 1.00 25.44 H new ATOM 0 HD3 PRO A 59 -0.211 -9.440 -2.163 1.00 25.44 H new ATOM 894 N VAL A 60 -1.487 -5.802 0.745 1.00 0.51 N ATOM 895 CA VAL A 60 -2.079 -4.921 1.738 1.00 43.22 C ATOM 896 C VAL A 60 -1.416 -3.560 1.689 1.00 2.53 C ATOM 897 O VAL A 60 -0.229 -3.424 1.994 1.00 53.35 O ATOM 898 CB VAL A 60 -1.964 -5.481 3.178 1.00 43.41 C ATOM 899 CG1 VAL A 60 -3.339 -5.727 3.778 1.00 25.24 C ATOM 900 CG2 VAL A 60 -1.139 -6.756 3.214 1.00 4.14 C ATOM 0 H VAL A 60 -0.671 -6.318 1.075 1.00 0.51 H new ATOM 0 HA VAL A 60 -3.138 -4.841 1.492 1.00 43.22 H new ATOM 0 HB VAL A 60 -1.452 -4.729 3.779 1.00 43.41 H new ATOM 0 HG11 VAL A 60 -3.230 -6.120 4.789 1.00 25.24 H new ATOM 0 HG12 VAL A 60 -3.895 -4.790 3.811 1.00 25.24 H new ATOM 0 HG13 VAL A 60 -3.880 -6.448 3.165 1.00 25.24 H new ATOM 0 HG21 VAL A 60 -1.079 -7.122 4.239 1.00 4.14 H new ATOM 0 HG22 VAL A 60 -1.610 -7.512 2.586 1.00 4.14 H new ATOM 0 HG23 VAL A 60 -0.135 -6.550 2.843 1.00 4.14 H new ATOM 910 N LEU A 61 -2.181 -2.564 1.288 1.00 32.03 N ATOM 911 CA LEU A 61 -1.670 -1.214 1.192 1.00 64.35 C ATOM 912 C LEU A 61 -1.734 -0.550 2.565 1.00 22.22 C ATOM 913 O LEU A 61 -2.810 -0.210 3.065 1.00 44.40 O ATOM 914 CB LEU A 61 -2.457 -0.426 0.136 1.00 3.13 C ATOM 915 CG LEU A 61 -1.814 0.880 -0.348 1.00 32.12 C ATOM 916 CD1 LEU A 61 -2.077 2.004 0.638 1.00 33.44 C ATOM 917 CD2 LEU A 61 -0.314 0.699 -0.558 1.00 23.03 C ATOM 0 H LEU A 61 -3.161 -2.666 1.023 1.00 32.03 H new ATOM 0 HA LEU A 61 -0.628 -1.232 0.873 1.00 64.35 H new ATOM 0 HB2 LEU A 61 -2.614 -1.072 -0.728 1.00 3.13 H new ATOM 0 HB3 LEU A 61 -3.441 -0.194 0.544 1.00 3.13 H new ATOM 0 HG LEU A 61 -2.266 1.145 -1.304 1.00 32.12 H new ATOM 0 HD11 LEU A 61 -1.613 2.921 0.276 1.00 33.44 H new ATOM 0 HD12 LEU A 61 -3.152 2.156 0.738 1.00 33.44 H new ATOM 0 HD13 LEU A 61 -1.656 1.742 1.609 1.00 33.44 H new ATOM 0 HD21 LEU A 61 0.121 1.638 -0.901 1.00 23.03 H new ATOM 0 HD22 LEU A 61 0.152 0.405 0.382 1.00 23.03 H new ATOM 0 HD23 LEU A 61 -0.142 -0.075 -1.306 1.00 23.03 H new ATOM 928 N PHE A 62 -0.566 -0.403 3.165 1.00 12.11 N ATOM 929 CA PHE A 62 -0.424 0.110 4.513 1.00 75.44 C ATOM 930 C PHE A 62 -0.015 1.580 4.493 1.00 50.50 C ATOM 931 O PHE A 62 0.885 1.979 3.749 1.00 3.31 O ATOM 932 CB PHE A 62 0.618 -0.738 5.251 1.00 71.14 C ATOM 933 CG PHE A 62 1.042 -0.199 6.586 1.00 72.24 C ATOM 934 CD1 PHE A 62 0.243 -0.368 7.707 1.00 11.13 C ATOM 935 CD2 PHE A 62 2.246 0.469 6.719 1.00 44.32 C ATOM 936 CE1 PHE A 62 0.640 0.122 8.934 1.00 15.42 C ATOM 937 CE2 PHE A 62 2.650 0.961 7.943 1.00 53.34 C ATOM 938 CZ PHE A 62 1.845 0.789 9.053 1.00 24.12 C ATOM 0 H PHE A 62 0.322 -0.640 2.722 1.00 12.11 H new ATOM 0 HA PHE A 62 -1.380 0.047 5.033 1.00 75.44 H new ATOM 0 HB2 PHE A 62 0.215 -1.741 5.392 1.00 71.14 H new ATOM 0 HB3 PHE A 62 1.500 -0.835 4.618 1.00 71.14 H new ATOM 0 HD1 PHE A 62 -0.699 -0.888 7.618 1.00 11.13 H new ATOM 0 HD2 PHE A 62 2.878 0.607 5.854 1.00 44.32 H new ATOM 0 HE1 PHE A 62 0.010 -0.015 9.801 1.00 15.42 H new ATOM 0 HE2 PHE A 62 3.593 1.479 8.033 1.00 53.34 H new ATOM 0 HZ PHE A 62 2.157 1.175 10.012 1.00 24.12 H new ATOM 947 N ALA A 63 -0.679 2.376 5.320 1.00 5.23 N ATOM 948 CA ALA A 63 -0.419 3.803 5.397 1.00 75.41 C ATOM 949 C ALA A 63 0.744 4.096 6.344 1.00 2.21 C ATOM 950 O ALA A 63 0.594 4.015 7.568 1.00 21.34 O ATOM 951 CB ALA A 63 -1.671 4.530 5.855 1.00 5.31 C ATOM 0 H ALA A 63 -1.410 2.050 5.953 1.00 5.23 H new ATOM 0 HA ALA A 63 -0.142 4.159 4.405 1.00 75.41 H new ATOM 0 HB1 ALA A 63 -1.470 5.600 5.911 1.00 5.31 H new ATOM 0 HB2 ALA A 63 -2.477 4.349 5.144 1.00 5.31 H new ATOM 0 HB3 ALA A 63 -1.965 4.164 6.839 1.00 5.31 H new ATOM 957 N VAL A 64 1.891 4.447 5.779 1.00 32.00 N ATOM 958 CA VAL A 64 3.092 4.702 6.567 1.00 2.41 C ATOM 959 C VAL A 64 3.133 6.143 7.050 1.00 43.41 C ATOM 960 O VAL A 64 3.602 7.035 6.342 1.00 54.13 O ATOM 961 CB VAL A 64 4.374 4.396 5.769 1.00 72.11 C ATOM 962 CG1 VAL A 64 5.616 4.607 6.622 1.00 42.32 C ATOM 963 CG2 VAL A 64 4.333 2.983 5.232 1.00 23.34 C ATOM 0 H VAL A 64 2.017 4.562 4.773 1.00 32.00 H new ATOM 0 HA VAL A 64 3.050 4.034 7.428 1.00 2.41 H new ATOM 0 HB VAL A 64 4.424 5.089 4.929 1.00 72.11 H new ATOM 0 HG11 VAL A 64 6.505 4.383 6.032 1.00 42.32 H new ATOM 0 HG12 VAL A 64 5.655 5.643 6.958 1.00 42.32 H new ATOM 0 HG13 VAL A 64 5.579 3.946 7.488 1.00 42.32 H new ATOM 0 HG21 VAL A 64 5.245 2.781 4.670 1.00 23.34 H new ATOM 0 HG22 VAL A 64 4.254 2.281 6.062 1.00 23.34 H new ATOM 0 HG23 VAL A 64 3.470 2.868 4.576 1.00 23.34 H new ATOM 973 N ASN A 65 2.593 6.342 8.248 1.00 0.25 N ATOM 974 CA ASN A 65 2.598 7.632 8.940 1.00 42.13 C ATOM 975 C ASN A 65 1.662 7.534 10.135 1.00 31.20 C ATOM 976 O ASN A 65 2.068 7.725 11.282 1.00 33.35 O ATOM 977 CB ASN A 65 2.156 8.782 8.015 1.00 12.43 C ATOM 978 CG ASN A 65 2.298 10.161 8.649 1.00 15.45 C ATOM 979 OD1 ASN A 65 2.019 10.359 9.831 1.00 34.10 O ATOM 980 ND2 ASN A 65 2.762 11.122 7.865 1.00 21.01 N ATOM 0 H ASN A 65 2.132 5.601 8.776 1.00 0.25 H new ATOM 0 HA ASN A 65 3.615 7.856 9.263 1.00 42.13 H new ATOM 0 HB2 ASN A 65 2.747 8.749 7.100 1.00 12.43 H new ATOM 0 HB3 ASN A 65 1.116 8.628 7.728 1.00 12.43 H new ATOM 0 HD21 ASN A 65 2.898 12.062 8.237 1.00 21.01 H new ATOM 0 HD22 ASN A 65 2.983 10.922 6.889 1.00 21.01 H new ATOM 986 N GLU A 66 0.413 7.190 9.856 1.00 2.24 N ATOM 987 CA GLU A 66 -0.591 7.037 10.896 1.00 60.31 C ATOM 988 C GLU A 66 -0.631 5.592 11.393 1.00 0.23 C ATOM 989 O GLU A 66 -1.135 5.317 12.482 1.00 72.33 O ATOM 990 CB GLU A 66 -1.968 7.446 10.364 1.00 34.32 C ATOM 991 CG GLU A 66 -3.044 7.478 11.433 1.00 45.50 C ATOM 992 CD GLU A 66 -4.422 7.729 10.862 1.00 51.22 C ATOM 993 OE1 GLU A 66 -4.726 8.890 10.516 1.00 73.24 O ATOM 994 OE2 GLU A 66 -5.207 6.767 10.760 1.00 22.24 O ATOM 0 H GLU A 66 0.070 7.011 8.912 1.00 2.24 H new ATOM 0 HA GLU A 66 -0.326 7.686 11.731 1.00 60.31 H new ATOM 0 HB2 GLU A 66 -1.893 8.432 9.905 1.00 34.32 H new ATOM 0 HB3 GLU A 66 -2.267 6.751 9.579 1.00 34.32 H new ATOM 0 HG2 GLU A 66 -3.045 6.530 11.971 1.00 45.50 H new ATOM 0 HG3 GLU A 66 -2.808 8.257 12.158 1.00 45.50 H new ATOM 999 N ASP A 67 -0.084 4.684 10.579 1.00 4.32 N ATOM 1000 CA ASP A 67 -0.088 3.251 10.883 1.00 23.53 C ATOM 1001 C ASP A 67 -1.512 2.707 10.815 1.00 32.42 C ATOM 1002 O ASP A 67 -2.242 2.698 11.805 1.00 53.41 O ATOM 1003 CB ASP A 67 0.561 2.979 12.252 1.00 53.24 C ATOM 1004 CG ASP A 67 0.523 1.519 12.667 1.00 63.44 C ATOM 1005 OD1 ASP A 67 1.417 0.749 12.254 1.00 71.24 O ATOM 1006 OD2 ASP A 67 -0.379 1.144 13.446 1.00 22.22 O ATOM 0 H ASP A 67 0.371 4.920 9.697 1.00 4.32 H new ATOM 0 HA ASP A 67 0.509 2.729 10.135 1.00 23.53 H new ATOM 0 HB2 ASP A 67 1.598 3.313 12.225 1.00 53.24 H new ATOM 0 HB3 ASP A 67 0.054 3.576 13.010 1.00 53.24 H new ATOM 1010 N LYS A 68 -1.913 2.314 9.611 1.00 11.21 N ATOM 1011 CA LYS A 68 -3.243 1.769 9.366 1.00 75.10 C ATOM 1012 C LYS A 68 -3.284 1.132 7.981 1.00 12.33 C ATOM 1013 O LYS A 68 -2.399 1.374 7.160 1.00 15.45 O ATOM 1014 CB LYS A 68 -4.316 2.864 9.462 1.00 71.22 C ATOM 1015 CG LYS A 68 -4.179 3.959 8.413 1.00 2.33 C ATOM 1016 CD LYS A 68 -5.499 4.238 7.697 1.00 2.52 C ATOM 1017 CE LYS A 68 -6.416 5.175 8.476 1.00 71.53 C ATOM 1018 NZ LYS A 68 -6.842 4.607 9.783 1.00 43.22 N ATOM 0 H LYS A 68 -1.326 2.364 8.778 1.00 11.21 H new ATOM 0 HA LYS A 68 -3.453 1.018 10.127 1.00 75.10 H new ATOM 0 HB2 LYS A 68 -5.299 2.404 9.366 1.00 71.22 H new ATOM 0 HB3 LYS A 68 -4.271 3.316 10.453 1.00 71.22 H new ATOM 0 HG2 LYS A 68 -3.825 4.874 8.889 1.00 2.33 H new ATOM 0 HG3 LYS A 68 -3.425 3.667 7.682 1.00 2.33 H new ATOM 0 HD2 LYS A 68 -5.290 4.673 6.720 1.00 2.52 H new ATOM 0 HD3 LYS A 68 -6.017 3.295 7.522 1.00 2.52 H new ATOM 0 HE2 LYS A 68 -5.902 6.121 8.646 1.00 71.53 H new ATOM 0 HE3 LYS A 68 -7.299 5.395 7.875 1.00 71.53 H new ATOM 0 HZ1 LYS A 68 -7.753 5.024 10.063 1.00 43.22 H new ATOM 0 HZ2 LYS A 68 -6.946 3.576 9.696 1.00 43.22 H new ATOM 0 HZ3 LYS A 68 -6.126 4.823 10.505 1.00 43.22 H new ATOM 1028 N GLU A 69 -4.310 0.340 7.716 1.00 2.21 N ATOM 1029 CA GLU A 69 -4.427 -0.358 6.440 1.00 43.32 C ATOM 1030 C GLU A 69 -5.553 0.258 5.612 1.00 44.30 C ATOM 1031 O GLU A 69 -6.617 0.574 6.147 1.00 54.43 O ATOM 1032 CB GLU A 69 -4.714 -1.853 6.654 1.00 45.11 C ATOM 1033 CG GLU A 69 -3.802 -2.545 7.663 1.00 44.42 C ATOM 1034 CD GLU A 69 -4.135 -2.182 9.098 1.00 21.40 C ATOM 1035 OE1 GLU A 69 -5.300 -2.382 9.509 1.00 74.03 O ATOM 1036 OE2 GLU A 69 -3.250 -1.669 9.808 1.00 44.23 O ATOM 0 H GLU A 69 -5.076 0.162 8.366 1.00 2.21 H new ATOM 0 HA GLU A 69 -3.480 -0.256 5.911 1.00 43.32 H new ATOM 0 HB2 GLU A 69 -5.747 -1.966 6.983 1.00 45.11 H new ATOM 0 HB3 GLU A 69 -4.626 -2.366 5.696 1.00 45.11 H new ATOM 0 HG2 GLU A 69 -3.882 -3.625 7.538 1.00 44.42 H new ATOM 0 HG3 GLU A 69 -2.766 -2.276 7.455 1.00 44.42 H new ATOM 1041 N LEU A 70 -5.328 0.439 4.313 1.00 1.25 N ATOM 1042 CA LEU A 70 -6.356 1.007 3.447 1.00 74.00 C ATOM 1043 C LEU A 70 -7.127 -0.092 2.727 1.00 5.34 C ATOM 1044 O LEU A 70 -8.292 -0.352 3.029 1.00 24.22 O ATOM 1045 CB LEU A 70 -5.751 1.968 2.416 1.00 54.45 C ATOM 1046 CG LEU A 70 -4.912 3.120 2.978 1.00 64.10 C ATOM 1047 CD1 LEU A 70 -4.658 4.150 1.894 1.00 3.23 C ATOM 1048 CD2 LEU A 70 -5.585 3.768 4.176 1.00 43.32 C ATOM 0 H LEU A 70 -4.454 0.204 3.842 1.00 1.25 H new ATOM 0 HA LEU A 70 -7.041 1.566 4.084 1.00 74.00 H new ATOM 0 HB2 LEU A 70 -5.127 1.391 1.734 1.00 54.45 H new ATOM 0 HB3 LEU A 70 -6.563 2.392 1.825 1.00 54.45 H new ATOM 0 HG LEU A 70 -3.960 2.711 3.317 1.00 64.10 H new ATOM 0 HD11 LEU A 70 -4.061 4.966 2.300 1.00 3.23 H new ATOM 0 HD12 LEU A 70 -4.121 3.684 1.068 1.00 3.23 H new ATOM 0 HD13 LEU A 70 -5.609 4.541 1.533 1.00 3.23 H new ATOM 0 HD21 LEU A 70 -4.961 4.581 4.548 1.00 43.32 H new ATOM 0 HD22 LEU A 70 -6.556 4.163 3.878 1.00 43.32 H new ATOM 0 HD23 LEU A 70 -5.721 3.026 4.963 1.00 43.32 H new ATOM 1059 N CYS A 71 -6.467 -0.752 1.784 1.00 42.14 N ATOM 1060 CA CYS A 71 -7.113 -1.771 0.966 1.00 41.14 C ATOM 1061 C CYS A 71 -6.137 -2.904 0.669 1.00 11.42 C ATOM 1062 O CYS A 71 -4.923 -2.727 0.788 1.00 43.34 O ATOM 1063 CB CYS A 71 -7.620 -1.150 -0.339 1.00 41.41 C ATOM 1064 SG CYS A 71 -6.341 -0.295 -1.289 1.00 51.44 S ATOM 0 H CYS A 71 -5.482 -0.600 1.566 1.00 42.14 H new ATOM 0 HA CYS A 71 -7.962 -2.179 1.514 1.00 41.14 H new ATOM 0 HB2 CYS A 71 -8.055 -1.934 -0.958 1.00 41.41 H new ATOM 0 HB3 CYS A 71 -8.419 -0.446 -0.108 1.00 41.41 H new ATOM 0 HG CYS A 71 -5.175 -0.780 -0.981 1.00 51.44 H new ATOM 1069 N HIS A 72 -6.661 -4.064 0.289 1.00 22.01 N ATOM 1070 CA HIS A 72 -5.813 -5.204 -0.037 1.00 13.33 C ATOM 1071 C HIS A 72 -6.345 -5.950 -1.257 1.00 43.41 C ATOM 1072 O HIS A 72 -7.561 -6.024 -1.459 1.00 42.12 O ATOM 1073 CB HIS A 72 -5.681 -6.152 1.168 1.00 63.30 C ATOM 1074 CG HIS A 72 -6.936 -6.891 1.550 1.00 41.15 C ATOM 1075 ND1 HIS A 72 -7.389 -8.112 1.176 1.00 24.24 N flip ATOM 1076 CD2 HIS A 72 -7.869 -6.398 2.438 1.00 71.03 C flip ATOM 1077 CE1 HIS A 72 -8.569 -8.332 1.837 1.00 34.43 C flip ATOM 1078 NE2 HIS A 72 -8.837 -7.285 2.593 1.00 65.31 N flip ATOM 0 H HIS A 72 -7.662 -4.239 0.200 1.00 22.01 H new ATOM 0 HA HIS A 72 -4.821 -4.825 -0.280 1.00 13.33 H new ATOM 0 HB2 HIS A 72 -4.902 -6.882 0.950 1.00 63.30 H new ATOM 0 HB3 HIS A 72 -5.344 -5.574 2.028 1.00 63.30 H new ATOM 0 HD1 HIS A 72 -6.935 -8.750 0.522 1.00 24.24 H new ATOM 0 HD2 HIS A 72 -7.817 -5.438 2.930 1.00 71.03 H new ATOM 0 HE1 HIS A 72 -9.180 -9.218 1.753 1.00 34.43 H new ATOM 1085 N TYR A 73 -5.420 -6.465 -2.075 1.00 55.21 N ATOM 1086 CA TYR A 73 -5.737 -7.250 -3.281 1.00 23.33 C ATOM 1087 C TYR A 73 -6.249 -6.385 -4.434 1.00 30.41 C ATOM 1088 O TYR A 73 -5.839 -6.557 -5.580 1.00 34.20 O ATOM 1089 CB TYR A 73 -6.753 -8.363 -2.990 1.00 41.23 C ATOM 1090 CG TYR A 73 -6.144 -9.632 -2.447 1.00 63.41 C ATOM 1091 CD1 TYR A 73 -5.020 -10.192 -3.037 1.00 2.02 C ATOM 1092 CD2 TYR A 73 -6.703 -10.278 -1.353 1.00 0.44 C ATOM 1093 CE1 TYR A 73 -4.467 -11.360 -2.552 1.00 22.14 C ATOM 1094 CE2 TYR A 73 -6.155 -11.446 -0.866 1.00 64.32 C ATOM 1095 CZ TYR A 73 -5.040 -11.984 -1.468 1.00 35.54 C ATOM 1096 OH TYR A 73 -4.490 -13.148 -0.981 1.00 72.44 O ATOM 0 H TYR A 73 -4.419 -6.349 -1.920 1.00 55.21 H new ATOM 0 HA TYR A 73 -4.793 -7.701 -3.588 1.00 23.33 H new ATOM 0 HB2 TYR A 73 -7.487 -7.991 -2.275 1.00 41.23 H new ATOM 0 HB3 TYR A 73 -7.292 -8.596 -3.908 1.00 41.23 H new ATOM 0 HD1 TYR A 73 -4.570 -9.706 -3.890 1.00 2.02 H new ATOM 0 HD2 TYR A 73 -7.578 -9.861 -0.877 1.00 0.44 H new ATOM 0 HE1 TYR A 73 -3.590 -11.781 -3.021 1.00 22.14 H new ATOM 0 HE2 TYR A 73 -6.600 -11.938 -0.014 1.00 64.32 H new ATOM 0 HH TYR A 73 -5.103 -13.554 -0.333 1.00 72.44 H new ATOM 1105 N PHE A 74 -7.132 -5.457 -4.127 1.00 72.01 N ATOM 1106 CA PHE A 74 -7.789 -4.662 -5.140 1.00 14.33 C ATOM 1107 C PHE A 74 -7.799 -3.212 -4.706 1.00 44.05 C ATOM 1108 O PHE A 74 -8.052 -2.905 -3.537 1.00 23.44 O ATOM 1109 CB PHE A 74 -9.220 -5.158 -5.369 1.00 12.41 C ATOM 1110 CG PHE A 74 -9.312 -6.466 -6.099 1.00 41.33 C ATOM 1111 CD1 PHE A 74 -9.064 -6.535 -7.461 1.00 30.32 C ATOM 1112 CD2 PHE A 74 -9.658 -7.626 -5.425 1.00 62.21 C ATOM 1113 CE1 PHE A 74 -9.162 -7.736 -8.136 1.00 71.43 C ATOM 1114 CE2 PHE A 74 -9.757 -8.831 -6.095 1.00 23.22 C ATOM 1115 CZ PHE A 74 -9.508 -8.886 -7.452 1.00 15.12 C ATOM 0 H PHE A 74 -7.413 -5.234 -3.172 1.00 72.01 H new ATOM 0 HA PHE A 74 -7.244 -4.756 -6.079 1.00 14.33 H new ATOM 0 HB2 PHE A 74 -9.716 -5.259 -4.404 1.00 12.41 H new ATOM 0 HB3 PHE A 74 -9.768 -4.402 -5.932 1.00 12.41 H new ATOM 0 HD1 PHE A 74 -8.791 -5.640 -8.000 1.00 30.32 H new ATOM 0 HD2 PHE A 74 -9.853 -7.588 -4.363 1.00 62.21 H new ATOM 0 HE1 PHE A 74 -8.968 -7.776 -9.198 1.00 71.43 H new ATOM 0 HE2 PHE A 74 -10.029 -9.728 -5.558 1.00 23.22 H new ATOM 0 HZ PHE A 74 -9.583 -9.826 -7.978 1.00 15.12 H new ATOM 1124 N LEU A 75 -7.510 -2.325 -5.633 1.00 12.21 N ATOM 1125 CA LEU A 75 -7.424 -0.918 -5.315 1.00 60.31 C ATOM 1126 C LEU A 75 -8.777 -0.252 -5.479 1.00 44.12 C ATOM 1127 O LEU A 75 -9.282 -0.106 -6.592 1.00 43.41 O ATOM 1128 CB LEU A 75 -6.395 -0.241 -6.205 1.00 54.13 C ATOM 1129 CG LEU A 75 -6.007 1.170 -5.763 1.00 12.12 C ATOM 1130 CD1 LEU A 75 -5.150 1.106 -4.511 1.00 14.44 C ATOM 1131 CD2 LEU A 75 -5.281 1.909 -6.876 1.00 24.44 C ATOM 0 H LEU A 75 -7.331 -2.553 -6.611 1.00 12.21 H new ATOM 0 HA LEU A 75 -7.112 -0.817 -4.276 1.00 60.31 H new ATOM 0 HB2 LEU A 75 -5.497 -0.858 -6.236 1.00 54.13 H new ATOM 0 HB3 LEU A 75 -6.786 -0.195 -7.222 1.00 54.13 H new ATOM 0 HG LEU A 75 -6.918 1.724 -5.536 1.00 12.12 H new ATOM 0 HD11 LEU A 75 -4.879 2.116 -4.204 1.00 14.44 H new ATOM 0 HD12 LEU A 75 -5.710 0.622 -3.711 1.00 14.44 H new ATOM 0 HD13 LEU A 75 -4.245 0.534 -4.718 1.00 14.44 H new ATOM 0 HD21 LEU A 75 -5.016 2.910 -6.536 1.00 24.44 H new ATOM 0 HD22 LEU A 75 -4.375 1.365 -7.143 1.00 24.44 H new ATOM 0 HD23 LEU A 75 -5.931 1.982 -7.748 1.00 24.44 H new ATOM 1142 N ASP A 76 -9.364 0.144 -4.360 1.00 31.41 N ATOM 1143 CA ASP A 76 -10.657 0.818 -4.362 1.00 61.02 C ATOM 1144 C ASP A 76 -10.568 2.174 -5.055 1.00 34.31 C ATOM 1145 O ASP A 76 -11.549 2.655 -5.617 1.00 24.24 O ATOM 1146 CB ASP A 76 -11.162 0.998 -2.931 1.00 41.31 C ATOM 1147 CG ASP A 76 -12.426 1.823 -2.874 1.00 24.31 C ATOM 1148 OD1 ASP A 76 -13.517 1.272 -3.137 1.00 40.20 O ATOM 1149 OD2 ASP A 76 -12.331 3.029 -2.576 1.00 43.30 O ATOM 0 H ASP A 76 -8.963 0.010 -3.432 1.00 31.41 H new ATOM 0 HA ASP A 76 -11.360 0.195 -4.915 1.00 61.02 H new ATOM 0 HB2 ASP A 76 -11.348 0.020 -2.487 1.00 41.31 H new ATOM 0 HB3 ASP A 76 -10.389 1.479 -2.332 1.00 41.31 H new ATOM 1153 N SER A 77 -9.378 2.776 -5.003 1.00 52.23 N ATOM 1154 CA SER A 77 -9.104 4.074 -5.632 1.00 41.12 C ATOM 1155 C SER A 77 -9.701 5.241 -4.834 1.00 72.31 C ATOM 1156 O SER A 77 -9.050 6.273 -4.668 1.00 44.44 O ATOM 1157 CB SER A 77 -9.597 4.103 -7.088 1.00 63.24 C ATOM 1158 OG SER A 77 -8.986 3.075 -7.855 1.00 34.11 O ATOM 0 H SER A 77 -8.572 2.377 -4.522 1.00 52.23 H new ATOM 0 HA SER A 77 -8.021 4.201 -5.634 1.00 41.12 H new ATOM 0 HB2 SER A 77 -10.680 3.983 -7.111 1.00 63.24 H new ATOM 0 HB3 SER A 77 -9.374 5.073 -7.532 1.00 63.24 H new ATOM 0 HG SER A 77 -9.317 3.114 -8.777 1.00 34.11 H new ATOM 1163 N ASP A 78 -10.915 5.082 -4.318 1.00 62.21 N ATOM 1164 CA ASP A 78 -11.552 6.148 -3.550 1.00 35.15 C ATOM 1165 C ASP A 78 -10.957 6.224 -2.150 1.00 52.34 C ATOM 1166 O ASP A 78 -10.637 7.308 -1.666 1.00 2.45 O ATOM 1167 CB ASP A 78 -13.064 5.941 -3.467 1.00 24.13 C ATOM 1168 CG ASP A 78 -13.763 7.060 -2.718 1.00 1.20 C ATOM 1169 OD1 ASP A 78 -14.006 8.126 -3.322 1.00 53.54 O ATOM 1170 OD2 ASP A 78 -14.089 6.879 -1.526 1.00 21.31 O ATOM 0 H ASP A 78 -11.474 4.234 -4.415 1.00 62.21 H new ATOM 0 HA ASP A 78 -11.365 7.089 -4.067 1.00 35.15 H new ATOM 0 HB2 ASP A 78 -13.474 5.871 -4.475 1.00 24.13 H new ATOM 0 HB3 ASP A 78 -13.271 4.992 -2.972 1.00 24.13 H new ATOM 1174 N VAL A 79 -10.811 5.065 -1.510 1.00 72.22 N ATOM 1175 CA VAL A 79 -10.198 4.980 -0.182 1.00 63.34 C ATOM 1176 C VAL A 79 -8.805 5.608 -0.162 1.00 72.24 C ATOM 1177 O VAL A 79 -8.503 6.436 0.696 1.00 44.53 O ATOM 1178 CB VAL A 79 -10.120 3.514 0.309 1.00 31.22 C ATOM 1179 CG1 VAL A 79 -9.231 3.381 1.540 1.00 63.43 C ATOM 1180 CG2 VAL A 79 -11.512 2.997 0.619 1.00 71.31 C ATOM 0 H VAL A 79 -11.110 4.167 -1.890 1.00 72.22 H new ATOM 0 HA VAL A 79 -10.838 5.543 0.497 1.00 63.34 H new ATOM 0 HB VAL A 79 -9.678 2.918 -0.489 1.00 31.22 H new ATOM 0 HG11 VAL A 79 -9.200 2.338 1.856 1.00 63.43 H new ATOM 0 HG12 VAL A 79 -8.223 3.717 1.298 1.00 63.43 H new ATOM 0 HG13 VAL A 79 -9.633 3.993 2.347 1.00 63.43 H new ATOM 0 HG21 VAL A 79 -11.448 1.965 0.964 1.00 71.31 H new ATOM 0 HG22 VAL A 79 -11.964 3.612 1.397 1.00 71.31 H new ATOM 0 HG23 VAL A 79 -12.126 3.042 -0.281 1.00 71.31 H new ATOM 1190 N ILE A 80 -7.961 5.229 -1.113 1.00 5.40 N ATOM 1191 CA ILE A 80 -6.610 5.776 -1.182 1.00 10.02 C ATOM 1192 C ILE A 80 -6.655 7.266 -1.525 1.00 50.32 C ATOM 1193 O ILE A 80 -5.856 8.049 -1.024 1.00 10.21 O ATOM 1194 CB ILE A 80 -5.727 5.021 -2.205 1.00 31.21 C ATOM 1195 CG1 ILE A 80 -4.309 5.581 -2.227 1.00 63.20 C ATOM 1196 CG2 ILE A 80 -6.317 5.089 -3.587 1.00 64.32 C ATOM 1197 CD1 ILE A 80 -3.528 5.270 -0.983 1.00 42.22 C ATOM 0 H ILE A 80 -8.184 4.551 -1.842 1.00 5.40 H new ATOM 0 HA ILE A 80 -6.158 5.645 -0.199 1.00 10.02 H new ATOM 0 HB ILE A 80 -5.689 3.978 -1.890 1.00 31.21 H new ATOM 0 HG12 ILE A 80 -3.780 5.177 -3.090 1.00 63.20 H new ATOM 0 HG13 ILE A 80 -4.355 6.662 -2.358 1.00 63.20 H new ATOM 0 HG21 ILE A 80 -5.675 4.550 -4.284 1.00 64.32 H new ATOM 0 HG22 ILE A 80 -7.308 4.636 -3.582 1.00 64.32 H new ATOM 0 HG23 ILE A 80 -6.396 6.131 -3.898 1.00 64.32 H new ATOM 0 HD11 ILE A 80 -2.529 5.697 -1.065 1.00 42.22 H new ATOM 0 HD12 ILE A 80 -4.036 5.697 -0.118 1.00 42.22 H new ATOM 0 HD13 ILE A 80 -3.452 4.189 -0.862 1.00 42.22 H new ATOM 1208 N GLY A 81 -7.623 7.655 -2.352 1.00 63.52 N ATOM 1209 CA GLY A 81 -7.778 9.049 -2.711 1.00 54.14 C ATOM 1210 C GLY A 81 -8.276 9.881 -1.549 1.00 50.13 C ATOM 1211 O GLY A 81 -8.093 11.096 -1.517 1.00 13.54 O ATOM 0 H GLY A 81 -8.303 7.026 -2.779 1.00 63.52 H new ATOM 0 HA2 GLY A 81 -6.822 9.443 -3.056 1.00 54.14 H new ATOM 0 HA3 GLY A 81 -8.477 9.134 -3.543 1.00 54.14 H new ATOM 1215 N ALA A 82 -8.923 9.224 -0.597 1.00 30.34 N ATOM 1216 CA ALA A 82 -9.390 9.885 0.607 1.00 72.22 C ATOM 1217 C ALA A 82 -8.229 10.114 1.564 1.00 62.32 C ATOM 1218 O ALA A 82 -8.189 11.104 2.289 1.00 21.15 O ATOM 1219 CB ALA A 82 -10.480 9.055 1.271 1.00 71.13 C ATOM 0 H ALA A 82 -9.136 8.227 -0.639 1.00 30.34 H new ATOM 0 HA ALA A 82 -9.810 10.854 0.339 1.00 72.22 H new ATOM 0 HB1 ALA A 82 -10.823 9.560 2.174 1.00 71.13 H new ATOM 0 HB2 ALA A 82 -11.316 8.935 0.582 1.00 71.13 H new ATOM 0 HB3 ALA A 82 -10.082 8.075 1.533 1.00 71.13 H new ATOM 1225 N TYR A 83 -7.276 9.192 1.541 1.00 61.01 N ATOM 1226 CA TYR A 83 -6.127 9.255 2.426 1.00 51.12 C ATOM 1227 C TYR A 83 -4.998 10.094 1.831 1.00 32.15 C ATOM 1228 O TYR A 83 -4.335 10.844 2.542 1.00 32.23 O ATOM 1229 CB TYR A 83 -5.614 7.842 2.725 1.00 24.11 C ATOM 1230 CG TYR A 83 -4.336 7.827 3.529 1.00 5.12 C ATOM 1231 CD1 TYR A 83 -4.362 8.019 4.901 1.00 52.01 C ATOM 1232 CD2 TYR A 83 -3.105 7.636 2.911 1.00 50.23 C ATOM 1233 CE1 TYR A 83 -3.199 8.023 5.642 1.00 14.34 C ATOM 1234 CE2 TYR A 83 -1.936 7.641 3.645 1.00 3.24 C ATOM 1235 CZ TYR A 83 -1.986 7.837 5.009 1.00 23.54 C ATOM 1236 OH TYR A 83 -0.821 7.849 5.743 1.00 31.30 O ATOM 0 H TYR A 83 -7.279 8.388 0.914 1.00 61.01 H new ATOM 0 HA TYR A 83 -6.452 9.733 3.350 1.00 51.12 H new ATOM 0 HB2 TYR A 83 -6.383 7.291 3.267 1.00 24.11 H new ATOM 0 HB3 TYR A 83 -5.449 7.316 1.784 1.00 24.11 H new ATOM 0 HD1 TYR A 83 -5.309 8.168 5.398 1.00 52.01 H new ATOM 0 HD2 TYR A 83 -3.063 7.482 1.843 1.00 50.23 H new ATOM 0 HE1 TYR A 83 -3.237 8.171 6.711 1.00 14.34 H new ATOM 0 HE2 TYR A 83 -0.986 7.492 3.153 1.00 3.24 H new ATOM 0 HH TYR A 83 -0.057 7.703 5.147 1.00 31.30 H new ATOM 1245 N LEU A 84 -4.788 9.972 0.529 1.00 35.33 N ATOM 1246 CA LEU A 84 -3.628 10.578 -0.115 1.00 63.34 C ATOM 1247 C LEU A 84 -3.810 12.075 -0.367 1.00 14.53 C ATOM 1248 O LEU A 84 -2.945 12.718 -0.961 1.00 33.43 O ATOM 1249 CB LEU A 84 -3.296 9.840 -1.416 1.00 10.23 C ATOM 1250 CG LEU A 84 -1.958 9.095 -1.405 1.00 63.41 C ATOM 1251 CD1 LEU A 84 -0.803 10.077 -1.489 1.00 44.31 C ATOM 1252 CD2 LEU A 84 -1.825 8.245 -0.154 1.00 74.41 C ATOM 0 H LEU A 84 -5.403 9.460 -0.103 1.00 35.33 H new ATOM 0 HA LEU A 84 -2.789 10.479 0.574 1.00 63.34 H new ATOM 0 HB2 LEU A 84 -4.092 9.126 -1.626 1.00 10.23 H new ATOM 0 HB3 LEU A 84 -3.289 10.560 -2.235 1.00 10.23 H new ATOM 0 HG LEU A 84 -1.929 8.440 -2.275 1.00 63.41 H new ATOM 0 HD11 LEU A 84 0.140 9.531 -1.480 1.00 44.31 H new ATOM 0 HD12 LEU A 84 -0.881 10.652 -2.412 1.00 44.31 H new ATOM 0 HD13 LEU A 84 -0.838 10.754 -0.636 1.00 44.31 H new ATOM 0 HD21 LEU A 84 -0.867 7.725 -0.168 1.00 74.41 H new ATOM 0 HD22 LEU A 84 -1.879 8.884 0.727 1.00 74.41 H new ATOM 0 HD23 LEU A 84 -2.634 7.515 -0.122 1.00 74.41 H new ATOM 1263 N SER A 85 -4.920 12.628 0.090 1.00 41.10 N ATOM 1264 CA SER A 85 -5.126 14.065 0.032 1.00 34.35 C ATOM 1265 C SER A 85 -4.685 14.699 1.348 1.00 42.32 C ATOM 1266 O SER A 85 -4.247 14.002 2.260 1.00 0.00 O ATOM 1267 CB SER A 85 -6.594 14.381 -0.244 1.00 71.35 C ATOM 1268 OG SER A 85 -7.022 13.806 -1.466 1.00 5.45 O ATOM 0 H SER A 85 -5.691 12.105 0.505 1.00 41.10 H new ATOM 0 HA SER A 85 -4.528 14.478 -0.781 1.00 34.35 H new ATOM 0 HB2 SER A 85 -7.209 14.004 0.573 1.00 71.35 H new ATOM 0 HB3 SER A 85 -6.736 15.461 -0.278 1.00 71.35 H new ATOM 0 HG SER A 85 -7.364 12.903 -1.300 1.00 5.45 H new TER 1273 SER A 85