USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=20 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 65 ASN : amide:sc= 0.626 K(o=0.57,f=-2.8!) USER MOD Set 1.2: A 83 TYR OH : rot -128:sc= -0.0564 USER MOD Single : A 1 MET CE :methyl 144:sc= -0.241 (180deg=-0.794) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.0827 (180deg=-0.0123) USER MOD Single : A 2 ASN : amide:sc= -0.198 K(o=-0.2,f=-3.7!) USER MOD Single : A 3 ASN : amide:sc= -0.0326 K(o=-0.033,f=-0.67) USER MOD Single : A 4 GLN : amide:sc= 1.18 K(o=1.2,f=-0.44) USER MOD Single : A 9 LYS NZ :NH3+ 142:sc= 2.46 (180deg=1.32) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.335 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 0:sc= -0.67 USER MOD Single : A 24 MET CE :methyl 177:sc= -0.983 (180deg=-1.02) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -5.61! C(o=-5.6!,f=-13!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= -0.0803 (180deg=-0.427) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.36 K(o=-0.36,f=-8.3!) USER MOD Single : A 49 HIS : no HE2:sc= 0.334 K(o=0.33,f=-2.1!) USER MOD Single : A 51 THR OG1 : rot -10:sc= 0.977 USER MOD Single : A 54 TYR OH : rot 16:sc= 1.23 USER MOD Single : A 55 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= -2.56! USER MOD Single : A 72 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.8!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 67:sc= 0.171 USER MOD Single : A 85 SER OG : rot 29:sc= 0.945 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.916 31.956 7.351 1.00 60.20 N ATOM 2 CA MET A 1 5.751 31.091 7.052 1.00 74.21 C ATOM 3 C MET A 1 6.128 29.624 7.157 1.00 4.01 C ATOM 4 O MET A 1 7.307 29.278 7.248 1.00 42.03 O ATOM 5 CB MET A 1 5.220 31.366 5.642 1.00 10.03 C ATOM 6 CG MET A 1 4.576 32.729 5.466 1.00 1.22 C ATOM 7 SD MET A 1 3.954 32.984 3.790 1.00 0.05 S ATOM 8 CE MET A 1 2.764 31.648 3.657 1.00 72.43 C ATOM 0 H1 MET A 1 6.693 32.572 8.158 1.00 60.20 H new ATOM 0 H2 MET A 1 7.738 31.363 7.585 1.00 60.20 H new ATOM 0 H3 MET A 1 7.137 32.541 6.520 1.00 60.20 H new ATOM 0 HA MET A 1 4.976 31.319 7.784 1.00 74.21 H new ATOM 0 HB2 MET A 1 6.043 31.273 4.933 1.00 10.03 H new ATOM 0 HB3 MET A 1 4.490 30.598 5.386 1.00 10.03 H new ATOM 0 HG2 MET A 1 3.755 32.835 6.175 1.00 1.22 H new ATOM 0 HG3 MET A 1 5.304 33.505 5.703 1.00 1.22 H new ATOM 0 HE1 MET A 1 1.907 31.981 3.071 1.00 72.43 H new ATOM 0 HE2 MET A 1 3.229 30.794 3.165 1.00 72.43 H new ATOM 0 HE3 MET A 1 2.431 31.356 4.653 1.00 72.43 H new ATOM 15 N ASN A 2 5.126 28.762 7.149 1.00 5.34 N ATOM 16 CA ASN A 2 5.354 27.326 7.086 1.00 60.32 C ATOM 17 C ASN A 2 4.207 26.666 6.334 1.00 4.23 C ATOM 18 O ASN A 2 3.100 26.547 6.855 1.00 1.12 O ATOM 19 CB ASN A 2 5.482 26.727 8.492 1.00 60.13 C ATOM 20 CG ASN A 2 6.050 25.318 8.478 1.00 2.04 C ATOM 21 OD1 ASN A 2 5.894 24.575 7.510 1.00 22.03 O ATOM 22 ND2 ASN A 2 6.715 24.935 9.560 1.00 1.13 N ATOM 0 H ASN A 2 4.143 29.031 7.185 1.00 5.34 H new ATOM 0 HA ASN A 2 6.290 27.142 6.558 1.00 60.32 H new ATOM 0 HB2 ASN A 2 6.123 27.367 9.098 1.00 60.13 H new ATOM 0 HB3 ASN A 2 4.502 26.715 8.968 1.00 60.13 H new ATOM 0 HD21 ASN A 2 7.116 23.998 9.607 1.00 1.13 H new ATOM 0 HD22 ASN A 2 6.825 25.577 10.345 1.00 1.13 H new ATOM 28 N ASN A 3 4.471 26.269 5.097 1.00 4.10 N ATOM 29 CA ASN A 3 3.449 25.656 4.253 1.00 62.45 C ATOM 30 C ASN A 3 3.286 24.184 4.614 1.00 0.21 C ATOM 31 O ASN A 3 2.192 23.624 4.512 1.00 32.03 O ATOM 32 CB ASN A 3 3.831 25.809 2.775 1.00 64.13 C ATOM 33 CG ASN A 3 2.740 25.343 1.825 1.00 21.25 C ATOM 34 OD1 ASN A 3 1.551 25.418 2.133 1.00 2.34 O ATOM 35 ND2 ASN A 3 3.141 24.871 0.652 1.00 75.05 N ATOM 0 H ASN A 3 5.385 26.360 4.653 1.00 4.10 H new ATOM 0 HA ASN A 3 2.497 26.160 4.421 1.00 62.45 H new ATOM 0 HB2 ASN A 3 4.059 26.855 2.571 1.00 64.13 H new ATOM 0 HB3 ASN A 3 4.741 25.241 2.580 1.00 64.13 H new ATOM 0 HD21 ASN A 3 2.454 24.554 -0.032 1.00 75.05 H new ATOM 0 HD22 ASN A 3 4.136 24.825 0.434 1.00 75.05 H new ATOM 41 N GLN A 4 4.389 23.587 5.055 1.00 34.54 N ATOM 42 CA GLN A 4 4.440 22.183 5.454 1.00 14.45 C ATOM 43 C GLN A 4 3.954 21.267 4.336 1.00 20.25 C ATOM 44 O GLN A 4 2.782 20.888 4.276 1.00 14.35 O ATOM 45 CB GLN A 4 3.648 21.938 6.745 1.00 23.33 C ATOM 46 CG GLN A 4 3.674 20.486 7.184 1.00 71.41 C ATOM 47 CD GLN A 4 3.035 20.261 8.537 1.00 11.24 C ATOM 48 OE1 GLN A 4 2.134 20.994 8.951 1.00 63.23 O ATOM 49 NE2 GLN A 4 3.501 19.242 9.236 1.00 43.41 N ATOM 0 H GLN A 4 5.283 24.069 5.147 1.00 34.54 H new ATOM 0 HA GLN A 4 5.484 21.942 5.652 1.00 14.45 H new ATOM 0 HB2 GLN A 4 4.057 22.561 7.541 1.00 23.33 H new ATOM 0 HB3 GLN A 4 2.614 22.249 6.596 1.00 23.33 H new ATOM 0 HG2 GLN A 4 3.158 19.879 6.440 1.00 71.41 H new ATOM 0 HG3 GLN A 4 4.708 20.141 7.216 1.00 71.41 H new ATOM 0 HE21 GLN A 4 4.248 18.661 8.855 1.00 43.41 H new ATOM 0 HE22 GLN A 4 3.114 19.036 10.157 1.00 43.41 H new ATOM 56 N VAL A 5 4.859 20.922 3.440 1.00 71.51 N ATOM 57 CA VAL A 5 4.530 20.020 2.352 1.00 42.21 C ATOM 58 C VAL A 5 5.054 18.626 2.627 1.00 21.21 C ATOM 59 O VAL A 5 6.210 18.300 2.373 1.00 10.23 O ATOM 60 CB VAL A 5 5.038 20.530 0.989 1.00 53.40 C ATOM 61 CG1 VAL A 5 4.139 21.646 0.483 1.00 21.14 C ATOM 62 CG2 VAL A 5 6.480 21.010 1.099 1.00 43.44 C ATOM 0 H VAL A 5 5.824 21.251 3.443 1.00 71.51 H new ATOM 0 HA VAL A 5 3.442 19.981 2.295 1.00 42.21 H new ATOM 0 HB VAL A 5 5.009 19.707 0.275 1.00 53.40 H new ATOM 0 HG11 VAL A 5 4.506 22.000 -0.480 1.00 21.14 H new ATOM 0 HG12 VAL A 5 3.122 21.270 0.369 1.00 21.14 H new ATOM 0 HG13 VAL A 5 4.143 22.469 1.198 1.00 21.14 H new ATOM 0 HG21 VAL A 5 6.820 21.366 0.127 1.00 43.44 H new ATOM 0 HG22 VAL A 5 6.539 21.822 1.824 1.00 43.44 H new ATOM 0 HG23 VAL A 5 7.114 20.186 1.426 1.00 43.44 H new ATOM 72 N GLU A 6 4.184 17.816 3.184 1.00 41.24 N ATOM 73 CA GLU A 6 4.518 16.457 3.539 1.00 13.43 C ATOM 74 C GLU A 6 3.449 15.516 3.005 1.00 73.33 C ATOM 75 O GLU A 6 2.260 15.679 3.287 1.00 22.24 O ATOM 76 CB GLU A 6 4.662 16.346 5.052 1.00 55.23 C ATOM 77 CG GLU A 6 5.800 17.193 5.607 1.00 55.24 C ATOM 78 CD GLU A 6 5.975 17.049 7.106 1.00 2.34 C ATOM 79 OE1 GLU A 6 6.685 16.114 7.537 1.00 35.30 O ATOM 80 OE2 GLU A 6 5.422 17.875 7.858 1.00 41.24 O ATOM 0 H GLU A 6 3.224 18.081 3.404 1.00 41.24 H new ATOM 0 HA GLU A 6 5.470 16.174 3.090 1.00 13.43 H new ATOM 0 HB2 GLU A 6 3.727 16.650 5.523 1.00 55.23 H new ATOM 0 HB3 GLU A 6 4.829 15.303 5.320 1.00 55.23 H new ATOM 0 HG2 GLU A 6 6.729 16.912 5.111 1.00 55.24 H new ATOM 0 HG3 GLU A 6 5.615 18.240 5.368 1.00 55.24 H new ATOM 85 N PRO A 7 3.863 14.543 2.194 1.00 2.53 N ATOM 86 CA PRO A 7 2.958 13.663 1.480 1.00 24.51 C ATOM 87 C PRO A 7 2.593 12.418 2.275 1.00 13.43 C ATOM 88 O PRO A 7 2.900 12.305 3.465 1.00 13.34 O ATOM 89 CB PRO A 7 3.771 13.299 0.239 1.00 21.22 C ATOM 90 CG PRO A 7 5.198 13.322 0.690 1.00 52.22 C ATOM 91 CD PRO A 7 5.268 14.219 1.907 1.00 54.42 C ATOM 0 HA PRO A 7 1.998 14.134 1.268 1.00 24.51 H new ATOM 0 HB2 PRO A 7 3.493 12.316 -0.141 1.00 21.22 H new ATOM 0 HB3 PRO A 7 3.600 14.012 -0.568 1.00 21.22 H new ATOM 0 HG2 PRO A 7 5.541 12.316 0.933 1.00 52.22 H new ATOM 0 HG3 PRO A 7 5.846 13.697 -0.102 1.00 52.22 H new ATOM 0 HD2 PRO A 7 5.740 13.713 2.749 1.00 54.42 H new ATOM 0 HD3 PRO A 7 5.852 15.118 1.707 1.00 54.42 H new ATOM 96 N ARG A 8 1.929 11.491 1.611 1.00 14.42 N ATOM 97 CA ARG A 8 1.563 10.235 2.231 1.00 13.44 C ATOM 98 C ARG A 8 2.484 9.134 1.733 1.00 61.40 C ATOM 99 O ARG A 8 3.195 9.314 0.747 1.00 14.22 O ATOM 100 CB ARG A 8 0.102 9.890 1.934 1.00 15.34 C ATOM 101 CG ARG A 8 -0.899 10.860 2.553 1.00 1.14 C ATOM 102 CD ARG A 8 -0.814 10.856 4.072 1.00 12.31 C ATOM 103 NE ARG A 8 -1.817 11.728 4.686 1.00 52.55 N ATOM 104 CZ ARG A 8 -2.351 11.518 5.894 1.00 24.13 C ATOM 105 NH1 ARG A 8 -2.004 10.446 6.596 1.00 62.25 N ATOM 106 NH2 ARG A 8 -3.235 12.371 6.394 1.00 1.54 N ATOM 0 H ARG A 8 1.632 11.586 0.640 1.00 14.42 H new ATOM 0 HA ARG A 8 1.672 10.329 3.311 1.00 13.44 H new ATOM 0 HB2 ARG A 8 -0.045 9.872 0.854 1.00 15.34 H new ATOM 0 HB3 ARG A 8 -0.106 8.885 2.301 1.00 15.34 H new ATOM 0 HG2 ARG A 8 -0.710 11.867 2.180 1.00 1.14 H new ATOM 0 HG3 ARG A 8 -1.908 10.589 2.243 1.00 1.14 H new ATOM 0 HD2 ARG A 8 -0.947 9.838 4.439 1.00 12.31 H new ATOM 0 HD3 ARG A 8 0.181 11.178 4.379 1.00 12.31 H new ATOM 0 HE ARG A 8 -2.127 12.545 4.161 1.00 52.55 H new ATOM 0 HH11 ARG A 8 -1.330 9.782 6.214 1.00 62.25 H new ATOM 0 HH12 ARG A 8 -2.411 10.286 7.517 1.00 62.25 H new ATOM 0 HH21 ARG A 8 -3.511 13.193 5.857 1.00 1.54 H new ATOM 0 HH22 ARG A 8 -3.639 12.205 7.316 1.00 1.54 H new ATOM 117 N LYS A 9 2.485 8.007 2.423 1.00 42.24 N ATOM 118 CA LYS A 9 3.336 6.895 2.042 1.00 72.44 C ATOM 119 C LYS A 9 2.585 5.579 2.243 1.00 44.10 C ATOM 120 O LYS A 9 1.996 5.345 3.300 1.00 44.21 O ATOM 121 CB LYS A 9 4.628 6.932 2.873 1.00 44.14 C ATOM 122 CG LYS A 9 5.819 6.241 2.228 1.00 32.40 C ATOM 123 CD LYS A 9 5.753 4.733 2.383 1.00 13.32 C ATOM 124 CE LYS A 9 6.835 4.036 1.582 1.00 4.13 C ATOM 125 NZ LYS A 9 8.203 4.498 1.946 1.00 31.53 N ATOM 0 H LYS A 9 1.908 7.838 3.247 1.00 42.24 H new ATOM 0 HA LYS A 9 3.603 6.975 0.988 1.00 72.44 H new ATOM 0 HB2 LYS A 9 4.890 7.972 3.066 1.00 44.14 H new ATOM 0 HB3 LYS A 9 4.435 6.467 3.840 1.00 44.14 H new ATOM 0 HG2 LYS A 9 5.856 6.495 1.169 1.00 32.40 H new ATOM 0 HG3 LYS A 9 6.740 6.612 2.677 1.00 32.40 H new ATOM 0 HD2 LYS A 9 5.855 4.471 3.436 1.00 13.32 H new ATOM 0 HD3 LYS A 9 4.775 4.377 2.059 1.00 13.32 H new ATOM 0 HE2 LYS A 9 6.764 2.960 1.742 1.00 4.13 H new ATOM 0 HE3 LYS A 9 6.666 4.212 0.520 1.00 4.13 H new ATOM 0 HZ1 LYS A 9 8.858 3.690 1.931 1.00 31.53 H new ATOM 0 HZ2 LYS A 9 8.521 5.214 1.262 1.00 31.53 H new ATOM 0 HZ3 LYS A 9 8.187 4.913 2.899 1.00 31.53 H new ATOM 135 N LEU A 10 2.585 4.745 1.213 1.00 34.42 N ATOM 136 CA LEU A 10 1.919 3.451 1.263 1.00 14.53 C ATOM 137 C LEU A 10 2.914 2.307 1.185 1.00 63.23 C ATOM 138 O LEU A 10 3.892 2.363 0.436 1.00 61.12 O ATOM 139 CB LEU A 10 0.922 3.315 0.114 1.00 44.30 C ATOM 140 CG LEU A 10 -0.365 4.119 0.261 1.00 32.12 C ATOM 141 CD1 LEU A 10 -1.221 3.961 -0.980 1.00 23.40 C ATOM 142 CD2 LEU A 10 -1.134 3.666 1.493 1.00 4.31 C ATOM 0 H LEU A 10 3.044 4.944 0.324 1.00 34.42 H new ATOM 0 HA LEU A 10 1.395 3.399 2.217 1.00 14.53 H new ATOM 0 HB2 LEU A 10 1.415 3.618 -0.809 1.00 44.30 H new ATOM 0 HB3 LEU A 10 0.661 2.262 0.005 1.00 44.30 H new ATOM 0 HG LEU A 10 -0.109 5.172 0.380 1.00 32.12 H new ATOM 0 HD11 LEU A 10 -2.138 4.539 -0.865 1.00 23.40 H new ATOM 0 HD12 LEU A 10 -0.671 4.321 -1.850 1.00 23.40 H new ATOM 0 HD13 LEU A 10 -1.470 2.909 -1.119 1.00 23.40 H new ATOM 0 HD21 LEU A 10 -2.050 4.249 1.585 1.00 4.31 H new ATOM 0 HD22 LEU A 10 -1.384 2.609 1.398 1.00 4.31 H new ATOM 0 HD23 LEU A 10 -0.519 3.815 2.381 1.00 4.31 H new ATOM 153 N VAL A 11 2.664 1.279 1.972 1.00 71.44 N ATOM 154 CA VAL A 11 3.407 0.038 1.871 1.00 73.22 C ATOM 155 C VAL A 11 2.488 -1.058 1.364 1.00 0.24 C ATOM 156 O VAL A 11 1.389 -1.241 1.883 1.00 44.14 O ATOM 157 CB VAL A 11 4.000 -0.406 3.227 1.00 14.43 C ATOM 158 CG1 VAL A 11 4.563 -1.814 3.118 1.00 33.33 C ATOM 159 CG2 VAL A 11 5.081 0.557 3.693 1.00 23.42 C ATOM 0 H VAL A 11 1.945 1.280 2.695 1.00 71.44 H new ATOM 0 HA VAL A 11 4.233 0.211 1.181 1.00 73.22 H new ATOM 0 HB VAL A 11 3.199 -0.400 3.966 1.00 14.43 H new ATOM 0 HG11 VAL A 11 4.978 -2.115 4.080 1.00 33.33 H new ATOM 0 HG12 VAL A 11 3.768 -2.503 2.834 1.00 33.33 H new ATOM 0 HG13 VAL A 11 5.348 -1.835 2.362 1.00 33.33 H new ATOM 0 HG21 VAL A 11 5.481 0.220 4.650 1.00 23.42 H new ATOM 0 HG22 VAL A 11 5.883 0.588 2.955 1.00 23.42 H new ATOM 0 HG23 VAL A 11 4.655 1.554 3.809 1.00 23.42 H new ATOM 169 N VAL A 12 2.924 -1.769 0.345 1.00 52.31 N ATOM 170 CA VAL A 12 2.180 -2.911 -0.134 1.00 25.43 C ATOM 171 C VAL A 12 2.785 -4.190 0.425 1.00 3.50 C ATOM 172 O VAL A 12 3.935 -4.533 0.128 1.00 14.12 O ATOM 173 CB VAL A 12 2.154 -2.992 -1.670 1.00 32.23 C ATOM 174 CG1 VAL A 12 1.258 -4.130 -2.119 1.00 32.32 C ATOM 175 CG2 VAL A 12 1.702 -1.676 -2.275 1.00 51.25 C ATOM 0 H VAL A 12 3.786 -1.576 -0.165 1.00 52.31 H new ATOM 0 HA VAL A 12 1.152 -2.793 0.210 1.00 25.43 H new ATOM 0 HB VAL A 12 3.166 -3.189 -2.023 1.00 32.23 H new ATOM 0 HG11 VAL A 12 1.248 -4.177 -3.208 1.00 32.32 H new ATOM 0 HG12 VAL A 12 1.636 -5.071 -1.719 1.00 32.32 H new ATOM 0 HG13 VAL A 12 0.245 -3.961 -1.754 1.00 32.32 H new ATOM 0 HG21 VAL A 12 1.692 -1.759 -3.362 1.00 51.25 H new ATOM 0 HG22 VAL A 12 0.699 -1.438 -1.920 1.00 51.25 H new ATOM 0 HG23 VAL A 12 2.389 -0.884 -1.978 1.00 51.25 H new ATOM 185 N TYR A 13 2.023 -4.872 1.261 1.00 3.30 N ATOM 186 CA TYR A 13 2.464 -6.135 1.821 1.00 11.04 C ATOM 187 C TYR A 13 2.049 -7.285 0.926 1.00 11.34 C ATOM 188 O TYR A 13 0.873 -7.426 0.579 1.00 35.14 O ATOM 189 CB TYR A 13 1.903 -6.336 3.226 1.00 5.34 C ATOM 190 CG TYR A 13 2.541 -5.443 4.265 1.00 51.43 C ATOM 191 CD1 TYR A 13 3.847 -5.661 4.684 1.00 52.23 C ATOM 192 CD2 TYR A 13 1.841 -4.379 4.822 1.00 34.33 C ATOM 193 CE1 TYR A 13 4.438 -4.847 5.630 1.00 23.04 C ATOM 194 CE2 TYR A 13 2.429 -3.561 5.769 1.00 24.50 C ATOM 195 CZ TYR A 13 3.726 -3.799 6.168 1.00 35.33 C ATOM 196 OH TYR A 13 4.317 -2.986 7.107 1.00 12.44 O ATOM 0 H TYR A 13 1.097 -4.572 1.566 1.00 3.30 H new ATOM 0 HA TYR A 13 3.552 -6.112 1.886 1.00 11.04 H new ATOM 0 HB2 TYR A 13 0.829 -6.150 3.209 1.00 5.34 H new ATOM 0 HB3 TYR A 13 2.042 -7.377 3.518 1.00 5.34 H new ATOM 0 HD1 TYR A 13 4.410 -6.481 4.263 1.00 52.23 H new ATOM 0 HD2 TYR A 13 0.824 -4.189 4.511 1.00 34.33 H new ATOM 0 HE1 TYR A 13 5.454 -5.032 5.946 1.00 23.04 H new ATOM 0 HE2 TYR A 13 1.873 -2.738 6.194 1.00 24.50 H new ATOM 0 HH TYR A 13 3.682 -2.293 7.386 1.00 12.44 H new ATOM 205 N GLY A 14 3.019 -8.097 0.547 1.00 42.02 N ATOM 206 CA GLY A 14 2.744 -9.225 -0.310 1.00 41.03 C ATOM 207 C GLY A 14 3.825 -10.278 -0.213 1.00 63.44 C ATOM 208 O GLY A 14 4.620 -10.275 0.728 1.00 0.21 O ATOM 0 H GLY A 14 3.997 -7.994 0.819 1.00 42.02 H new ATOM 0 HA2 GLY A 14 1.784 -9.663 -0.038 1.00 41.03 H new ATOM 0 HA3 GLY A 14 2.658 -8.885 -1.342 1.00 41.03 H new ATOM 212 N ARG A 15 3.855 -11.173 -1.183 1.00 14.54 N ATOM 213 CA ARG A 15 4.838 -12.242 -1.213 1.00 75.01 C ATOM 214 C ARG A 15 5.160 -12.620 -2.653 1.00 73.00 C ATOM 215 O ARG A 15 4.394 -12.307 -3.565 1.00 0.33 O ATOM 216 CB ARG A 15 4.336 -13.451 -0.414 1.00 22.14 C ATOM 217 CG ARG A 15 2.858 -13.763 -0.625 1.00 0.32 C ATOM 218 CD ARG A 15 2.405 -14.953 0.206 1.00 75.34 C ATOM 219 NE ARG A 15 2.371 -16.190 -0.573 1.00 22.11 N ATOM 220 CZ ARG A 15 2.823 -17.367 -0.137 1.00 35.02 C ATOM 221 NH1 ARG A 15 3.464 -17.446 1.023 1.00 32.42 N ATOM 222 NH2 ARG A 15 2.664 -18.453 -0.885 1.00 10.40 N ATOM 0 H ARG A 15 3.204 -11.181 -1.968 1.00 14.54 H new ATOM 0 HA ARG A 15 5.758 -11.893 -0.744 1.00 75.01 H new ATOM 0 HB2 ARG A 15 4.925 -14.326 -0.690 1.00 22.14 H new ATOM 0 HB3 ARG A 15 4.511 -13.271 0.647 1.00 22.14 H new ATOM 0 HG2 ARG A 15 2.262 -12.889 -0.363 1.00 0.32 H new ATOM 0 HG3 ARG A 15 2.677 -13.967 -1.680 1.00 0.32 H new ATOM 0 HD2 ARG A 15 3.078 -15.078 1.055 1.00 75.34 H new ATOM 0 HD3 ARG A 15 1.413 -14.754 0.612 1.00 75.34 H new ATOM 0 HE ARG A 15 1.975 -16.150 -1.512 1.00 22.11 H new ATOM 0 HH11 ARG A 15 3.612 -16.606 1.582 1.00 32.42 H new ATOM 0 HH12 ARG A 15 3.809 -18.347 1.355 1.00 32.42 H new ATOM 0 HH21 ARG A 15 2.198 -18.385 -1.790 1.00 10.40 H new ATOM 0 HH22 ARG A 15 3.008 -19.355 -0.555 1.00 10.40 H new ATOM 233 N GLU A 16 6.300 -13.276 -2.848 1.00 0.15 N ATOM 234 CA GLU A 16 6.778 -13.612 -4.186 1.00 2.45 C ATOM 235 C GLU A 16 5.806 -14.548 -4.902 1.00 73.43 C ATOM 236 O GLU A 16 5.665 -15.715 -4.537 1.00 12.43 O ATOM 237 CB GLU A 16 8.177 -14.246 -4.120 1.00 62.22 C ATOM 238 CG GLU A 16 8.318 -15.330 -3.055 1.00 43.22 C ATOM 239 CD GLU A 16 9.578 -16.158 -3.216 1.00 0.44 C ATOM 240 OE1 GLU A 16 10.640 -15.749 -2.705 1.00 2.33 O ATOM 241 OE2 GLU A 16 9.513 -17.224 -3.865 1.00 20.05 O ATOM 0 H GLU A 16 6.912 -13.587 -2.094 1.00 0.15 H new ATOM 0 HA GLU A 16 6.841 -12.686 -4.758 1.00 2.45 H new ATOM 0 HB2 GLU A 16 8.417 -14.674 -5.093 1.00 62.22 H new ATOM 0 HB3 GLU A 16 8.911 -13.463 -3.926 1.00 62.22 H new ATOM 0 HG2 GLU A 16 8.319 -14.865 -2.069 1.00 43.22 H new ATOM 0 HG3 GLU A 16 7.450 -15.988 -3.097 1.00 43.22 H new ATOM 246 N GLY A 17 5.136 -14.031 -5.919 1.00 43.32 N ATOM 247 CA GLY A 17 4.183 -14.833 -6.655 1.00 4.51 C ATOM 248 C GLY A 17 2.868 -14.121 -6.862 1.00 51.21 C ATOM 249 O GLY A 17 2.090 -14.485 -7.745 1.00 10.44 O ATOM 0 H GLY A 17 5.235 -13.071 -6.248 1.00 43.32 H new ATOM 0 HA2 GLY A 17 4.606 -15.097 -7.624 1.00 4.51 H new ATOM 0 HA3 GLY A 17 4.007 -15.766 -6.119 1.00 4.51 H new ATOM 253 N CYS A 18 2.609 -13.107 -6.052 1.00 73.53 N ATOM 254 CA CYS A 18 1.379 -12.343 -6.167 1.00 64.43 C ATOM 255 C CYS A 18 1.432 -11.423 -7.383 1.00 71.15 C ATOM 256 O CYS A 18 1.794 -10.252 -7.274 1.00 32.25 O ATOM 257 CB CYS A 18 1.138 -11.525 -4.901 1.00 43.44 C ATOM 258 SG CYS A 18 1.027 -12.505 -3.386 1.00 1.11 S ATOM 0 H CYS A 18 3.234 -12.795 -5.309 1.00 73.53 H new ATOM 0 HA CYS A 18 0.553 -13.043 -6.294 1.00 64.43 H new ATOM 0 HB2 CYS A 18 1.945 -10.801 -4.792 1.00 43.44 H new ATOM 0 HB3 CYS A 18 0.215 -10.958 -5.020 1.00 43.44 H new ATOM 0 HG CYS A 18 0.824 -11.716 -2.373 1.00 1.11 H new ATOM 263 N HIS A 19 1.077 -11.963 -8.541 1.00 23.01 N ATOM 264 CA HIS A 19 1.095 -11.200 -9.782 1.00 33.14 C ATOM 265 C HIS A 19 -0.023 -10.168 -9.785 1.00 33.41 C ATOM 266 O HIS A 19 0.107 -9.097 -10.372 1.00 13.54 O ATOM 267 CB HIS A 19 0.960 -12.124 -10.996 1.00 73.20 C ATOM 268 CG HIS A 19 2.083 -13.109 -11.132 1.00 65.23 C ATOM 269 ND1 HIS A 19 1.905 -14.474 -11.027 1.00 53.24 N ATOM 270 CD2 HIS A 19 3.403 -12.925 -11.372 1.00 43.45 C ATOM 271 CE1 HIS A 19 3.062 -15.082 -11.195 1.00 21.35 C ATOM 272 NE2 HIS A 19 3.985 -14.166 -11.405 1.00 10.55 N ATOM 0 H HIS A 19 0.772 -12.930 -8.647 1.00 23.01 H new ATOM 0 HA HIS A 19 2.053 -10.685 -9.848 1.00 33.14 H new ATOM 0 HB2 HIS A 19 0.018 -12.668 -10.924 1.00 73.20 H new ATOM 0 HB3 HIS A 19 0.910 -11.517 -11.900 1.00 73.20 H new ATOM 0 HD2 HIS A 19 3.903 -11.978 -11.511 1.00 43.45 H new ATOM 0 HE1 HIS A 19 3.226 -16.149 -11.166 1.00 21.35 H new ATOM 0 HE2 HIS A 19 4.975 -14.351 -11.566 1.00 10.55 H new ATOM 279 N LEU A 20 -1.119 -10.501 -9.110 1.00 50.15 N ATOM 280 CA LEU A 20 -2.244 -9.584 -8.957 1.00 72.51 C ATOM 281 C LEU A 20 -1.784 -8.316 -8.233 1.00 1.34 C ATOM 282 O LEU A 20 -2.277 -7.221 -8.497 1.00 70.02 O ATOM 283 CB LEU A 20 -3.381 -10.289 -8.189 1.00 32.43 C ATOM 284 CG LEU A 20 -4.769 -9.624 -8.233 1.00 33.31 C ATOM 285 CD1 LEU A 20 -4.906 -8.544 -7.170 1.00 1.33 C ATOM 286 CD2 LEU A 20 -5.042 -9.050 -9.616 1.00 41.14 C ATOM 0 H LEU A 20 -1.252 -11.405 -8.657 1.00 50.15 H new ATOM 0 HA LEU A 20 -2.622 -9.293 -9.937 1.00 72.51 H new ATOM 0 HB2 LEU A 20 -3.478 -11.302 -8.581 1.00 32.43 H new ATOM 0 HB3 LEU A 20 -3.081 -10.378 -7.145 1.00 32.43 H new ATOM 0 HG LEU A 20 -5.511 -10.393 -8.020 1.00 33.31 H new ATOM 0 HD11 LEU A 20 -5.898 -8.097 -7.231 1.00 1.33 H new ATOM 0 HD12 LEU A 20 -4.767 -8.985 -6.183 1.00 1.33 H new ATOM 0 HD13 LEU A 20 -4.151 -7.775 -7.333 1.00 1.33 H new ATOM 0 HD21 LEU A 20 -6.027 -8.584 -9.629 1.00 41.14 H new ATOM 0 HD22 LEU A 20 -4.285 -8.304 -9.856 1.00 41.14 H new ATOM 0 HD23 LEU A 20 -5.010 -9.851 -10.355 1.00 41.14 H new ATOM 297 N CYS A 21 -0.812 -8.479 -7.340 1.00 53.31 N ATOM 298 CA CYS A 21 -0.228 -7.350 -6.628 1.00 23.12 C ATOM 299 C CYS A 21 0.556 -6.466 -7.592 1.00 22.30 C ATOM 300 O CYS A 21 0.519 -5.237 -7.499 1.00 11.24 O ATOM 301 CB CYS A 21 0.689 -7.849 -5.506 1.00 63.14 C ATOM 302 SG CYS A 21 1.461 -6.537 -4.535 1.00 4.44 S ATOM 0 H CYS A 21 -0.413 -9.384 -7.093 1.00 53.31 H new ATOM 0 HA CYS A 21 -1.033 -6.761 -6.188 1.00 23.12 H new ATOM 0 HB2 CYS A 21 0.111 -8.487 -4.837 1.00 63.14 H new ATOM 0 HB3 CYS A 21 1.471 -8.470 -5.942 1.00 63.14 H new ATOM 0 HG CYS A 21 1.081 -5.380 -4.989 1.00 4.44 H new ATOM 307 N GLU A 22 1.246 -7.107 -8.527 1.00 23.13 N ATOM 308 CA GLU A 22 2.030 -6.402 -9.528 1.00 2.25 C ATOM 309 C GLU A 22 1.117 -5.641 -10.483 1.00 10.33 C ATOM 310 O GLU A 22 1.473 -4.574 -10.981 1.00 44.42 O ATOM 311 CB GLU A 22 2.901 -7.394 -10.297 1.00 45.41 C ATOM 312 CG GLU A 22 3.888 -8.144 -9.414 1.00 51.11 C ATOM 313 CD GLU A 22 4.708 -9.152 -10.186 1.00 35.23 C ATOM 314 OE1 GLU A 22 5.384 -8.750 -11.152 1.00 64.42 O ATOM 315 OE2 GLU A 22 4.682 -10.349 -9.827 1.00 10.23 O ATOM 0 H GLU A 22 1.277 -8.123 -8.611 1.00 23.13 H new ATOM 0 HA GLU A 22 2.675 -5.680 -9.027 1.00 2.25 H new ATOM 0 HB2 GLU A 22 2.258 -8.114 -10.803 1.00 45.41 H new ATOM 0 HB3 GLU A 22 3.451 -6.859 -11.071 1.00 45.41 H new ATOM 0 HG2 GLU A 22 4.556 -7.429 -8.933 1.00 51.11 H new ATOM 0 HG3 GLU A 22 3.344 -8.655 -8.620 1.00 51.11 H new ATOM 320 N GLU A 23 -0.062 -6.199 -10.727 1.00 73.43 N ATOM 321 CA GLU A 23 -1.079 -5.533 -11.534 1.00 14.21 C ATOM 322 C GLU A 23 -1.520 -4.238 -10.857 1.00 23.04 C ATOM 323 O GLU A 23 -1.725 -3.215 -11.509 1.00 33.02 O ATOM 324 CB GLU A 23 -2.285 -6.448 -11.736 1.00 21.33 C ATOM 325 CG GLU A 23 -1.953 -7.748 -12.449 1.00 53.23 C ATOM 326 CD GLU A 23 -1.491 -7.531 -13.875 1.00 20.22 C ATOM 327 OE1 GLU A 23 -2.355 -7.414 -14.768 1.00 62.25 O ATOM 328 OE2 GLU A 23 -0.265 -7.472 -14.109 1.00 64.34 O ATOM 0 H GLU A 23 -0.339 -7.116 -10.376 1.00 73.43 H new ATOM 0 HA GLU A 23 -0.649 -5.300 -12.508 1.00 14.21 H new ATOM 0 HB2 GLU A 23 -2.722 -6.678 -10.764 1.00 21.33 H new ATOM 0 HB3 GLU A 23 -3.044 -5.914 -12.308 1.00 21.33 H new ATOM 0 HG2 GLU A 23 -1.175 -8.273 -11.895 1.00 53.23 H new ATOM 0 HG3 GLU A 23 -2.833 -8.392 -12.450 1.00 53.23 H new ATOM 333 N MET A 24 -1.639 -4.294 -9.533 1.00 44.41 N ATOM 334 CA MET A 24 -2.053 -3.137 -8.747 1.00 72.11 C ATOM 335 C MET A 24 -0.973 -2.068 -8.744 1.00 61.44 C ATOM 336 O MET A 24 -1.269 -0.881 -8.594 1.00 11.11 O ATOM 337 CB MET A 24 -2.373 -3.545 -7.311 1.00 30.32 C ATOM 338 CG MET A 24 -3.522 -4.528 -7.196 1.00 65.11 C ATOM 339 SD MET A 24 -3.818 -5.057 -5.502 1.00 71.43 S ATOM 340 CE MET A 24 -4.083 -3.478 -4.696 1.00 54.13 C ATOM 0 H MET A 24 -1.454 -5.132 -8.981 1.00 44.41 H new ATOM 0 HA MET A 24 -2.952 -2.728 -9.209 1.00 72.11 H new ATOM 0 HB2 MET A 24 -1.483 -3.986 -6.862 1.00 30.32 H new ATOM 0 HB3 MET A 24 -2.612 -2.652 -6.734 1.00 30.32 H new ATOM 0 HG2 MET A 24 -4.428 -4.069 -7.592 1.00 65.11 H new ATOM 0 HG3 MET A 24 -3.311 -5.401 -7.813 1.00 65.11 H new ATOM 0 HE1 MET A 24 -4.332 -3.642 -3.648 1.00 54.13 H new ATOM 0 HE2 MET A 24 -3.175 -2.878 -4.764 1.00 54.13 H new ATOM 0 HE3 MET A 24 -4.903 -2.952 -5.186 1.00 54.13 H new ATOM 348 N ILE A 25 0.275 -2.488 -8.906 1.00 33.41 N ATOM 349 CA ILE A 25 1.389 -1.554 -8.987 1.00 72.34 C ATOM 350 C ILE A 25 1.162 -0.562 -10.123 1.00 53.33 C ATOM 351 O ILE A 25 1.371 0.638 -9.960 1.00 61.40 O ATOM 352 CB ILE A 25 2.733 -2.285 -9.198 1.00 45.00 C ATOM 353 CG1 ILE A 25 3.098 -3.103 -7.954 1.00 64.20 C ATOM 354 CG2 ILE A 25 3.839 -1.293 -9.533 1.00 40.03 C ATOM 355 CD1 ILE A 25 4.372 -3.914 -8.102 1.00 24.53 C ATOM 0 H ILE A 25 0.541 -3.470 -8.984 1.00 33.41 H new ATOM 0 HA ILE A 25 1.439 -1.020 -8.038 1.00 72.34 H new ATOM 0 HB ILE A 25 2.624 -2.968 -10.040 1.00 45.00 H new ATOM 0 HG12 ILE A 25 3.206 -2.427 -7.106 1.00 64.20 H new ATOM 0 HG13 ILE A 25 2.275 -3.778 -7.721 1.00 64.20 H new ATOM 0 HG21 ILE A 25 4.777 -1.829 -9.678 1.00 40.03 H new ATOM 0 HG22 ILE A 25 3.583 -0.757 -10.447 1.00 40.03 H new ATOM 0 HG23 ILE A 25 3.950 -0.582 -8.714 1.00 40.03 H new ATOM 0 HD11 ILE A 25 4.562 -4.464 -7.181 1.00 24.53 H new ATOM 0 HD12 ILE A 25 4.262 -4.616 -8.928 1.00 24.53 H new ATOM 0 HD13 ILE A 25 5.208 -3.244 -8.304 1.00 24.53 H new ATOM 366 N ALA A 26 0.707 -1.072 -11.262 1.00 14.20 N ATOM 367 CA ALA A 26 0.412 -0.234 -12.414 1.00 12.45 C ATOM 368 C ALA A 26 -0.673 0.783 -12.076 1.00 3.32 C ATOM 369 O ALA A 26 -0.573 1.955 -12.437 1.00 72.23 O ATOM 370 CB ALA A 26 -0.004 -1.089 -13.601 1.00 3.42 C ATOM 0 H ALA A 26 0.534 -2.066 -11.411 1.00 14.20 H new ATOM 0 HA ALA A 26 1.317 0.311 -12.684 1.00 12.45 H new ATOM 0 HB1 ALA A 26 -0.221 -0.446 -14.454 1.00 3.42 H new ATOM 0 HB2 ALA A 26 0.805 -1.773 -13.858 1.00 3.42 H new ATOM 0 HB3 ALA A 26 -0.895 -1.662 -13.342 1.00 3.42 H new ATOM 376 N SER A 27 -1.697 0.320 -11.363 1.00 4.13 N ATOM 377 CA SER A 27 -2.786 1.183 -10.914 1.00 24.31 C ATOM 378 C SER A 27 -2.255 2.297 -10.014 1.00 1.12 C ATOM 379 O SER A 27 -2.571 3.471 -10.204 1.00 53.22 O ATOM 380 CB SER A 27 -3.824 0.346 -10.159 1.00 54.41 C ATOM 381 OG SER A 27 -4.319 -0.706 -10.973 1.00 34.34 O ATOM 0 H SER A 27 -1.795 -0.656 -11.082 1.00 4.13 H new ATOM 0 HA SER A 27 -3.254 1.642 -11.785 1.00 24.31 H new ATOM 0 HB2 SER A 27 -3.375 -0.068 -9.256 1.00 54.41 H new ATOM 0 HB3 SER A 27 -4.649 0.984 -9.841 1.00 54.41 H new ATOM 0 HG SER A 27 -4.978 -1.227 -10.469 1.00 34.34 H new ATOM 386 N LEU A 28 -1.428 1.914 -9.046 1.00 54.32 N ATOM 387 CA LEU A 28 -0.856 2.862 -8.099 1.00 51.11 C ATOM 388 C LEU A 28 0.019 3.886 -8.812 1.00 34.34 C ATOM 389 O LEU A 28 -0.055 5.076 -8.528 1.00 73.43 O ATOM 390 CB LEU A 28 -0.039 2.119 -7.040 1.00 23.12 C ATOM 391 CG LEU A 28 -0.823 1.092 -6.220 1.00 21.45 C ATOM 392 CD1 LEU A 28 0.099 0.356 -5.260 1.00 54.24 C ATOM 393 CD2 LEU A 28 -1.952 1.766 -5.459 1.00 43.43 C ATOM 0 H LEU A 28 -1.138 0.947 -8.897 1.00 54.32 H new ATOM 0 HA LEU A 28 -1.674 3.393 -7.612 1.00 51.11 H new ATOM 0 HB2 LEU A 28 0.790 1.611 -7.533 1.00 23.12 H new ATOM 0 HB3 LEU A 28 0.395 2.851 -6.358 1.00 23.12 H new ATOM 0 HG LEU A 28 -1.256 0.365 -6.907 1.00 21.45 H new ATOM 0 HD11 LEU A 28 -0.477 -0.370 -4.686 1.00 54.24 H new ATOM 0 HD12 LEU A 28 0.874 -0.162 -5.825 1.00 54.24 H new ATOM 0 HD13 LEU A 28 0.562 1.071 -4.580 1.00 54.24 H new ATOM 0 HD21 LEU A 28 -2.498 1.020 -4.882 1.00 43.43 H new ATOM 0 HD22 LEU A 28 -1.539 2.516 -4.784 1.00 43.43 H new ATOM 0 HD23 LEU A 28 -2.630 2.247 -6.164 1.00 43.43 H new ATOM 404 N ARG A 29 0.829 3.412 -9.753 1.00 22.33 N ATOM 405 CA ARG A 29 1.720 4.278 -10.521 1.00 40.42 C ATOM 406 C ARG A 29 0.954 5.402 -11.208 1.00 72.22 C ATOM 407 O ARG A 29 1.386 6.554 -11.195 1.00 33.42 O ATOM 408 CB ARG A 29 2.482 3.459 -11.563 1.00 42.05 C ATOM 409 CG ARG A 29 3.579 2.592 -10.971 1.00 31.44 C ATOM 410 CD ARG A 29 4.733 3.435 -10.457 1.00 11.22 C ATOM 411 NE ARG A 29 5.388 4.172 -11.541 1.00 13.34 N ATOM 412 CZ ARG A 29 5.557 5.496 -11.562 1.00 1.30 C ATOM 413 NH1 ARG A 29 5.112 6.249 -10.563 1.00 14.34 N ATOM 414 NH2 ARG A 29 6.178 6.066 -12.587 1.00 15.02 N ATOM 0 H ARG A 29 0.887 2.425 -10.004 1.00 22.33 H new ATOM 0 HA ARG A 29 2.426 4.728 -9.823 1.00 40.42 H new ATOM 0 HB2 ARG A 29 1.778 2.823 -12.099 1.00 42.05 H new ATOM 0 HB3 ARG A 29 2.921 4.137 -12.295 1.00 42.05 H new ATOM 0 HG2 ARG A 29 3.172 1.993 -10.156 1.00 31.44 H new ATOM 0 HG3 ARG A 29 3.943 1.896 -11.727 1.00 31.44 H new ATOM 0 HD2 ARG A 29 4.366 4.137 -9.709 1.00 11.22 H new ATOM 0 HD3 ARG A 29 5.461 2.793 -9.961 1.00 11.22 H new ATOM 0 HE ARG A 29 5.739 3.636 -12.335 1.00 13.34 H new ATOM 0 HH11 ARG A 29 4.637 5.817 -9.771 1.00 14.34 H new ATOM 0 HH12 ARG A 29 5.246 7.260 -10.588 1.00 14.34 H new ATOM 0 HH21 ARG A 29 6.525 5.493 -13.356 1.00 15.02 H new ATOM 0 HH22 ARG A 29 6.309 7.077 -12.606 1.00 15.02 H new ATOM 425 N VAL A 30 -0.185 5.067 -11.798 1.00 34.12 N ATOM 426 CA VAL A 30 -1.009 6.061 -12.474 1.00 72.43 C ATOM 427 C VAL A 30 -1.563 7.077 -11.471 1.00 22.12 C ATOM 428 O VAL A 30 -1.577 8.279 -11.740 1.00 63.35 O ATOM 429 CB VAL A 30 -2.173 5.405 -13.253 1.00 71.55 C ATOM 430 CG1 VAL A 30 -3.039 6.460 -13.928 1.00 43.21 C ATOM 431 CG2 VAL A 30 -1.635 4.420 -14.282 1.00 74.54 C ATOM 0 H VAL A 30 -0.559 4.118 -11.823 1.00 34.12 H new ATOM 0 HA VAL A 30 -0.370 6.577 -13.190 1.00 72.43 H new ATOM 0 HB VAL A 30 -2.794 4.861 -12.541 1.00 71.55 H new ATOM 0 HG11 VAL A 30 -3.850 5.973 -14.469 1.00 43.21 H new ATOM 0 HG12 VAL A 30 -3.455 7.127 -13.173 1.00 43.21 H new ATOM 0 HG13 VAL A 30 -2.432 7.037 -14.626 1.00 43.21 H new ATOM 0 HG21 VAL A 30 -2.467 3.967 -14.822 1.00 74.54 H new ATOM 0 HG22 VAL A 30 -0.989 4.945 -14.986 1.00 74.54 H new ATOM 0 HG23 VAL A 30 -1.064 3.642 -13.776 1.00 74.54 H new ATOM 441 N LEU A 31 -1.987 6.595 -10.307 1.00 4.04 N ATOM 442 CA LEU A 31 -2.521 7.469 -9.266 1.00 2.34 C ATOM 443 C LEU A 31 -1.436 8.384 -8.711 1.00 21.33 C ATOM 444 O LEU A 31 -1.700 9.539 -8.378 1.00 53.54 O ATOM 445 CB LEU A 31 -3.143 6.653 -8.130 1.00 31.43 C ATOM 446 CG LEU A 31 -4.664 6.767 -8.001 1.00 34.24 C ATOM 447 CD1 LEU A 31 -5.154 6.012 -6.775 1.00 71.11 C ATOM 448 CD2 LEU A 31 -5.085 8.227 -7.930 1.00 3.01 C ATOM 0 H LEU A 31 -1.972 5.605 -10.060 1.00 4.04 H new ATOM 0 HA LEU A 31 -3.298 8.084 -9.721 1.00 2.34 H new ATOM 0 HB2 LEU A 31 -2.885 5.604 -8.274 1.00 31.43 H new ATOM 0 HB3 LEU A 31 -2.690 6.966 -7.189 1.00 31.43 H new ATOM 0 HG LEU A 31 -5.118 6.320 -8.885 1.00 34.24 H new ATOM 0 HD11 LEU A 31 -6.237 6.104 -6.700 1.00 71.11 H new ATOM 0 HD12 LEU A 31 -4.885 4.960 -6.864 1.00 71.11 H new ATOM 0 HD13 LEU A 31 -4.691 6.430 -5.881 1.00 71.11 H new ATOM 0 HD21 LEU A 31 -6.169 8.289 -7.839 1.00 3.01 H new ATOM 0 HD22 LEU A 31 -4.620 8.698 -7.064 1.00 3.01 H new ATOM 0 HD23 LEU A 31 -4.767 8.742 -8.837 1.00 3.01 H new ATOM 459 N GLN A 32 -0.213 7.866 -8.630 1.00 63.01 N ATOM 460 CA GLN A 32 0.922 8.631 -8.117 1.00 13.32 C ATOM 461 C GLN A 32 1.185 9.874 -8.960 1.00 41.42 C ATOM 462 O GLN A 32 1.805 10.831 -8.501 1.00 0.53 O ATOM 463 CB GLN A 32 2.179 7.765 -8.083 1.00 33.14 C ATOM 464 CG GLN A 32 2.112 6.623 -7.084 1.00 33.43 C ATOM 465 CD GLN A 32 3.286 5.673 -7.206 1.00 33.11 C ATOM 466 OE1 GLN A 32 3.853 5.501 -8.284 1.00 5.00 O ATOM 467 NE2 GLN A 32 3.655 5.036 -6.110 1.00 62.24 N ATOM 0 H GLN A 32 0.019 6.914 -8.915 1.00 63.01 H new ATOM 0 HA GLN A 32 0.670 8.947 -7.105 1.00 13.32 H new ATOM 0 HB2 GLN A 32 2.353 7.355 -9.078 1.00 33.14 H new ATOM 0 HB3 GLN A 32 3.036 8.395 -7.843 1.00 33.14 H new ATOM 0 HG2 GLN A 32 2.082 7.030 -6.073 1.00 33.43 H new ATOM 0 HG3 GLN A 32 1.185 6.070 -7.232 1.00 33.43 H new ATOM 0 HE21 GLN A 32 3.162 5.203 -5.233 1.00 62.24 H new ATOM 0 HE22 GLN A 32 4.433 4.377 -6.141 1.00 62.24 H new ATOM 474 N LYS A 33 0.706 9.858 -10.196 1.00 2.25 N ATOM 475 CA LYS A 33 0.899 10.984 -11.097 1.00 62.21 C ATOM 476 C LYS A 33 -0.072 12.115 -10.767 1.00 63.13 C ATOM 477 O LYS A 33 0.082 13.240 -11.243 1.00 22.24 O ATOM 478 CB LYS A 33 0.731 10.539 -12.546 1.00 74.30 C ATOM 479 CG LYS A 33 1.624 9.368 -12.907 1.00 55.15 C ATOM 480 CD LYS A 33 1.781 9.226 -14.405 1.00 0.21 C ATOM 481 CE LYS A 33 0.447 9.020 -15.103 1.00 32.40 C ATOM 482 NZ LYS A 33 0.620 8.770 -16.557 1.00 34.42 N ATOM 0 H LYS A 33 0.182 9.080 -10.596 1.00 2.25 H new ATOM 0 HA LYS A 33 1.914 11.359 -10.965 1.00 62.21 H new ATOM 0 HB2 LYS A 33 -0.309 10.264 -12.719 1.00 74.30 H new ATOM 0 HB3 LYS A 33 0.953 11.377 -13.207 1.00 74.30 H new ATOM 0 HG2 LYS A 33 2.604 9.503 -12.449 1.00 55.15 H new ATOM 0 HG3 LYS A 33 1.204 8.450 -12.496 1.00 55.15 H new ATOM 0 HD2 LYS A 33 2.265 10.117 -14.804 1.00 0.21 H new ATOM 0 HD3 LYS A 33 2.437 8.383 -14.622 1.00 0.21 H new ATOM 0 HE2 LYS A 33 -0.075 8.178 -14.649 1.00 32.40 H new ATOM 0 HE3 LYS A 33 -0.180 9.900 -14.957 1.00 32.40 H new ATOM 0 HZ1 LYS A 33 -0.311 8.634 -16.999 1.00 34.42 H new ATOM 0 HZ2 LYS A 33 1.096 9.584 -16.995 1.00 34.42 H new ATOM 0 HZ3 LYS A 33 1.197 7.916 -16.696 1.00 34.42 H new ATOM 492 N LYS A 34 -1.075 11.802 -9.950 1.00 14.52 N ATOM 493 CA LYS A 34 -2.015 12.807 -9.466 1.00 40.21 C ATOM 494 C LYS A 34 -1.737 13.117 -8.000 1.00 2.40 C ATOM 495 O LYS A 34 -1.771 14.274 -7.576 1.00 3.42 O ATOM 496 CB LYS A 34 -3.471 12.339 -9.605 1.00 21.54 C ATOM 497 CG LYS A 34 -3.959 12.160 -11.037 1.00 43.14 C ATOM 498 CD LYS A 34 -3.525 10.832 -11.635 1.00 70.32 C ATOM 499 CE LYS A 34 -4.169 10.595 -12.993 1.00 40.22 C ATOM 500 NZ LYS A 34 -5.655 10.535 -12.900 1.00 14.00 N ATOM 0 H LYS A 34 -1.257 10.858 -9.609 1.00 14.52 H new ATOM 0 HA LYS A 34 -1.878 13.700 -10.076 1.00 40.21 H new ATOM 0 HB2 LYS A 34 -3.583 11.391 -9.078 1.00 21.54 H new ATOM 0 HB3 LYS A 34 -4.117 13.060 -9.105 1.00 21.54 H new ATOM 0 HG2 LYS A 34 -5.047 12.227 -11.058 1.00 43.14 H new ATOM 0 HG3 LYS A 34 -3.577 12.975 -11.653 1.00 43.14 H new ATOM 0 HD2 LYS A 34 -2.440 10.815 -11.738 1.00 70.32 H new ATOM 0 HD3 LYS A 34 -3.793 10.022 -10.957 1.00 70.32 H new ATOM 0 HE2 LYS A 34 -3.880 11.394 -13.676 1.00 40.22 H new ATOM 0 HE3 LYS A 34 -3.794 9.663 -13.415 1.00 40.22 H new ATOM 0 HZ1 LYS A 34 -6.038 10.080 -13.753 1.00 14.00 H new ATOM 0 HZ2 LYS A 34 -5.928 9.984 -12.062 1.00 14.00 H new ATOM 0 HZ3 LYS A 34 -6.037 11.499 -12.820 1.00 14.00 H new ATOM 510 N SER A 35 -1.476 12.066 -7.235 1.00 24.13 N ATOM 511 CA SER A 35 -1.217 12.184 -5.810 1.00 51.42 C ATOM 512 C SER A 35 -0.108 11.216 -5.402 1.00 43.03 C ATOM 513 O SER A 35 -0.232 10.006 -5.593 1.00 12.10 O ATOM 514 CB SER A 35 -2.500 11.892 -5.029 1.00 52.43 C ATOM 515 OG SER A 35 -3.552 12.749 -5.448 1.00 64.51 O ATOM 0 H SER A 35 -1.438 11.109 -7.586 1.00 24.13 H new ATOM 0 HA SER A 35 -0.891 13.199 -5.582 1.00 51.42 H new ATOM 0 HB2 SER A 35 -2.792 10.852 -5.176 1.00 52.43 H new ATOM 0 HB3 SER A 35 -2.320 12.025 -3.962 1.00 52.43 H new ATOM 0 HG SER A 35 -4.363 12.545 -4.938 1.00 64.51 H new ATOM 520 N TRP A 36 0.974 11.745 -4.851 1.00 60.11 N ATOM 521 CA TRP A 36 2.133 10.927 -4.523 1.00 3.34 C ATOM 522 C TRP A 36 1.982 10.283 -3.152 1.00 32.10 C ATOM 523 O TRP A 36 1.762 10.966 -2.149 1.00 73.50 O ATOM 524 CB TRP A 36 3.416 11.757 -4.570 1.00 62.21 C ATOM 525 CG TRP A 36 4.665 10.924 -4.493 1.00 15.42 C ATOM 526 CD1 TRP A 36 5.474 10.739 -3.404 1.00 51.42 C ATOM 527 CD2 TRP A 36 5.241 10.154 -5.554 1.00 2.51 C ATOM 528 NE1 TRP A 36 6.523 9.912 -3.734 1.00 20.14 N ATOM 529 CE2 TRP A 36 6.399 9.536 -5.046 1.00 12.31 C ATOM 530 CE3 TRP A 36 4.891 9.932 -6.888 1.00 43.21 C ATOM 531 CZ2 TRP A 36 7.202 8.708 -5.827 1.00 35.12 C ATOM 532 CZ3 TRP A 36 5.687 9.108 -7.661 1.00 74.12 C ATOM 533 CH2 TRP A 36 6.832 8.507 -7.128 1.00 52.10 C ATOM 0 H TRP A 36 1.074 12.734 -4.622 1.00 60.11 H new ATOM 0 HA TRP A 36 2.198 10.136 -5.271 1.00 3.34 H new ATOM 0 HB2 TRP A 36 3.431 12.338 -5.492 1.00 62.21 H new ATOM 0 HB3 TRP A 36 3.411 12.469 -3.745 1.00 62.21 H new ATOM 0 HD1 TRP A 36 5.313 11.177 -2.430 1.00 51.42 H new ATOM 0 HE1 TRP A 36 7.272 9.625 -3.104 1.00 20.14 H new ATOM 0 HE3 TRP A 36 4.012 10.397 -7.309 1.00 43.21 H new ATOM 0 HZ2 TRP A 36 8.086 8.241 -5.419 1.00 35.12 H new ATOM 0 HZ3 TRP A 36 5.421 8.925 -8.692 1.00 74.12 H new ATOM 0 HH2 TRP A 36 7.437 7.871 -7.757 1.00 52.10 H new ATOM 543 N PHE A 37 2.108 8.966 -3.119 1.00 40.12 N ATOM 544 CA PHE A 37 2.030 8.219 -1.874 1.00 61.23 C ATOM 545 C PHE A 37 3.157 7.206 -1.767 1.00 73.21 C ATOM 546 O PHE A 37 3.102 6.290 -0.944 1.00 53.30 O ATOM 547 CB PHE A 37 0.671 7.517 -1.745 1.00 55.22 C ATOM 548 CG PHE A 37 0.210 6.798 -2.986 1.00 51.15 C ATOM 549 CD1 PHE A 37 0.750 5.574 -3.355 1.00 15.35 C ATOM 550 CD2 PHE A 37 -0.788 7.345 -3.778 1.00 72.44 C ATOM 551 CE1 PHE A 37 0.306 4.916 -4.482 1.00 42.55 C ATOM 552 CE2 PHE A 37 -1.233 6.692 -4.907 1.00 65.24 C ATOM 553 CZ PHE A 37 -0.687 5.476 -5.261 1.00 74.33 C ATOM 0 H PHE A 37 2.266 8.389 -3.946 1.00 40.12 H new ATOM 0 HA PHE A 37 2.135 8.931 -1.055 1.00 61.23 H new ATOM 0 HB2 PHE A 37 0.725 6.800 -0.926 1.00 55.22 H new ATOM 0 HB3 PHE A 37 -0.080 8.258 -1.471 1.00 55.22 H new ATOM 0 HD1 PHE A 37 1.528 5.131 -2.751 1.00 15.35 H new ATOM 0 HD2 PHE A 37 -1.223 8.296 -3.506 1.00 72.44 H new ATOM 0 HE1 PHE A 37 0.735 3.963 -4.755 1.00 42.55 H new ATOM 0 HE2 PHE A 37 -2.009 7.133 -5.515 1.00 65.24 H new ATOM 0 HZ PHE A 37 -1.035 4.963 -6.145 1.00 74.33 H new ATOM 562 N GLU A 38 4.187 7.389 -2.586 1.00 63.13 N ATOM 563 CA GLU A 38 5.304 6.453 -2.648 1.00 34.20 C ATOM 564 C GLU A 38 4.834 5.056 -3.016 1.00 32.12 C ATOM 565 O GLU A 38 3.658 4.827 -3.289 1.00 74.12 O ATOM 566 CB GLU A 38 6.063 6.398 -1.320 1.00 20.13 C ATOM 567 CG GLU A 38 6.926 7.610 -1.059 1.00 71.32 C ATOM 568 CD GLU A 38 8.296 7.219 -0.543 1.00 43.43 C ATOM 569 OE1 GLU A 38 8.417 6.897 0.652 1.00 35.52 O ATOM 570 OE2 GLU A 38 9.253 7.194 -1.346 1.00 14.30 O ATOM 0 H GLU A 38 4.271 8.183 -3.221 1.00 63.13 H new ATOM 0 HA GLU A 38 5.977 6.818 -3.424 1.00 34.20 H new ATOM 0 HB2 GLU A 38 5.345 6.293 -0.506 1.00 20.13 H new ATOM 0 HB3 GLU A 38 6.691 5.507 -1.308 1.00 20.13 H new ATOM 0 HG2 GLU A 38 7.034 8.185 -1.978 1.00 71.32 H new ATOM 0 HG3 GLU A 38 6.434 8.258 -0.333 1.00 71.32 H new ATOM 575 N LEU A 39 5.766 4.129 -3.071 1.00 52.42 N ATOM 576 CA LEU A 39 5.412 2.737 -3.277 1.00 52.11 C ATOM 577 C LEU A 39 6.442 1.826 -2.631 1.00 30.11 C ATOM 578 O LEU A 39 7.584 1.748 -3.083 1.00 24.35 O ATOM 579 CB LEU A 39 5.264 2.435 -4.769 1.00 64.15 C ATOM 580 CG LEU A 39 4.552 1.123 -5.103 1.00 23.11 C ATOM 581 CD1 LEU A 39 3.416 0.864 -4.124 1.00 14.40 C ATOM 582 CD2 LEU A 39 4.002 1.180 -6.519 1.00 13.51 C ATOM 0 H LEU A 39 6.766 4.309 -2.977 1.00 52.42 H new ATOM 0 HA LEU A 39 4.450 2.548 -2.801 1.00 52.11 H new ATOM 0 HB2 LEU A 39 4.718 3.255 -5.236 1.00 64.15 H new ATOM 0 HB3 LEU A 39 6.257 2.415 -5.219 1.00 64.15 H new ATOM 0 HG LEU A 39 5.273 0.310 -5.025 1.00 23.11 H new ATOM 0 HD11 LEU A 39 2.923 -0.074 -4.379 1.00 14.40 H new ATOM 0 HD12 LEU A 39 3.815 0.800 -3.112 1.00 14.40 H new ATOM 0 HD13 LEU A 39 2.695 1.680 -4.179 1.00 14.40 H new ATOM 0 HD21 LEU A 39 3.496 0.243 -6.751 1.00 13.51 H new ATOM 0 HD22 LEU A 39 3.294 2.005 -6.601 1.00 13.51 H new ATOM 0 HD23 LEU A 39 4.821 1.334 -7.222 1.00 13.51 H new ATOM 593 N GLU A 40 6.041 1.163 -1.561 1.00 62.11 N ATOM 594 CA GLU A 40 6.918 0.231 -0.880 1.00 5.51 C ATOM 595 C GLU A 40 6.440 -1.189 -1.128 1.00 32.11 C ATOM 596 O GLU A 40 5.238 -1.441 -1.187 1.00 25.11 O ATOM 597 CB GLU A 40 6.946 0.503 0.622 1.00 51.44 C ATOM 598 CG GLU A 40 8.275 0.166 1.270 1.00 10.11 C ATOM 599 CD GLU A 40 9.338 1.194 0.949 1.00 40.31 C ATOM 600 OE1 GLU A 40 9.464 2.180 1.706 1.00 5.22 O ATOM 601 OE2 GLU A 40 10.035 1.031 -0.067 1.00 13.45 O ATOM 0 H GLU A 40 5.114 1.253 -1.146 1.00 62.11 H new ATOM 0 HA GLU A 40 7.927 0.359 -1.273 1.00 5.51 H new ATOM 0 HB2 GLU A 40 6.721 1.555 0.798 1.00 51.44 H new ATOM 0 HB3 GLU A 40 6.158 -0.076 1.103 1.00 51.44 H new ATOM 0 HG2 GLU A 40 8.146 0.103 2.350 1.00 10.11 H new ATOM 0 HG3 GLU A 40 8.605 -0.816 0.931 1.00 10.11 H new ATOM 606 N VAL A 41 7.379 -2.111 -1.262 1.00 51.11 N ATOM 607 CA VAL A 41 7.053 -3.506 -1.512 1.00 63.03 C ATOM 608 C VAL A 41 7.765 -4.385 -0.498 1.00 55.41 C ATOM 609 O VAL A 41 8.986 -4.539 -0.547 1.00 1.34 O ATOM 610 CB VAL A 41 7.452 -3.945 -2.940 1.00 65.15 C ATOM 611 CG1 VAL A 41 7.067 -5.396 -3.185 1.00 22.32 C ATOM 612 CG2 VAL A 41 6.811 -3.041 -3.985 1.00 42.25 C ATOM 0 H VAL A 41 8.379 -1.917 -1.201 1.00 51.11 H new ATOM 0 HA VAL A 41 5.973 -3.616 -1.416 1.00 63.03 H new ATOM 0 HB VAL A 41 8.535 -3.856 -3.029 1.00 65.15 H new ATOM 0 HG11 VAL A 41 7.357 -5.684 -4.196 1.00 22.32 H new ATOM 0 HG12 VAL A 41 7.579 -6.035 -2.465 1.00 22.32 H new ATOM 0 HG13 VAL A 41 5.989 -5.511 -3.070 1.00 22.32 H new ATOM 0 HG21 VAL A 41 7.107 -3.370 -4.981 1.00 42.25 H new ATOM 0 HG22 VAL A 41 5.726 -3.091 -3.893 1.00 42.25 H new ATOM 0 HG23 VAL A 41 7.141 -2.014 -3.829 1.00 42.25 H new ATOM 622 N ILE A 42 7.008 -4.940 0.431 1.00 73.42 N ATOM 623 CA ILE A 42 7.588 -5.736 1.501 1.00 34.33 C ATOM 624 C ILE A 42 7.072 -7.167 1.460 1.00 62.51 C ATOM 625 O ILE A 42 5.870 -7.414 1.581 1.00 62.52 O ATOM 626 CB ILE A 42 7.304 -5.116 2.889 1.00 20.31 C ATOM 627 CG1 ILE A 42 7.873 -3.696 2.950 1.00 2.34 C ATOM 628 CG2 ILE A 42 7.900 -5.982 3.993 1.00 74.44 C ATOM 629 CD1 ILE A 42 7.654 -3.001 4.273 1.00 44.04 C ATOM 0 H ILE A 42 5.992 -4.855 0.468 1.00 73.42 H new ATOM 0 HA ILE A 42 8.666 -5.745 1.343 1.00 34.33 H new ATOM 0 HB ILE A 42 6.226 -5.069 3.041 1.00 20.31 H new ATOM 0 HG12 ILE A 42 8.943 -3.736 2.745 1.00 2.34 H new ATOM 0 HG13 ILE A 42 7.419 -3.100 2.159 1.00 2.34 H new ATOM 0 HG21 ILE A 42 7.691 -5.530 4.963 1.00 74.44 H new ATOM 0 HG22 ILE A 42 7.458 -6.978 3.953 1.00 74.44 H new ATOM 0 HG23 ILE A 42 8.978 -6.058 3.854 1.00 74.44 H new ATOM 0 HD11 ILE A 42 8.086 -2.001 4.235 1.00 44.04 H new ATOM 0 HD12 ILE A 42 6.585 -2.927 4.473 1.00 44.04 H new ATOM 0 HD13 ILE A 42 8.133 -3.573 5.068 1.00 44.04 H new ATOM 640 N ASN A 43 7.990 -8.105 1.268 1.00 53.43 N ATOM 641 CA ASN A 43 7.653 -9.519 1.268 1.00 31.30 C ATOM 642 C ASN A 43 7.482 -10.008 2.697 1.00 55.41 C ATOM 643 O ASN A 43 8.428 -9.995 3.485 1.00 10.45 O ATOM 644 CB ASN A 43 8.739 -10.342 0.562 1.00 73.12 C ATOM 645 CG ASN A 43 8.847 -10.023 -0.918 1.00 72.34 C ATOM 646 OD1 ASN A 43 8.114 -10.756 -1.744 1.00 72.22 O flip ATOM 647 ND2 ASN A 43 9.592 -9.130 -1.316 1.00 25.05 N flip ATOM 0 H ASN A 43 8.978 -7.909 1.110 1.00 53.43 H new ATOM 0 HA ASN A 43 6.717 -9.649 0.725 1.00 31.30 H new ATOM 0 HB2 ASN A 43 9.700 -10.154 1.041 1.00 73.12 H new ATOM 0 HB3 ASN A 43 8.523 -11.403 0.686 1.00 73.12 H new ATOM 0 HD21 ASN A 43 10.140 -8.588 -0.648 1.00 25.05 H new ATOM 0 HD22 ASN A 43 9.662 -8.931 -2.314 1.00 25.05 H new ATOM 653 N ILE A 44 6.270 -10.421 3.030 1.00 53.40 N ATOM 654 CA ILE A 44 5.967 -10.882 4.377 1.00 63.11 C ATOM 655 C ILE A 44 6.602 -12.238 4.658 1.00 43.14 C ATOM 656 O ILE A 44 7.005 -12.512 5.790 1.00 35.54 O ATOM 657 CB ILE A 44 4.448 -10.968 4.622 1.00 71.12 C ATOM 658 CG1 ILE A 44 3.773 -11.822 3.540 1.00 31.30 C ATOM 659 CG2 ILE A 44 3.848 -9.571 4.662 1.00 34.34 C ATOM 660 CD1 ILE A 44 2.292 -12.026 3.753 1.00 42.04 C ATOM 0 H ILE A 44 5.479 -10.447 2.387 1.00 53.40 H new ATOM 0 HA ILE A 44 6.390 -10.144 5.059 1.00 63.11 H new ATOM 0 HB ILE A 44 4.274 -11.448 5.585 1.00 71.12 H new ATOM 0 HG12 ILE A 44 3.928 -11.350 2.570 1.00 31.30 H new ATOM 0 HG13 ILE A 44 4.262 -12.796 3.503 1.00 31.30 H new ATOM 0 HG21 ILE A 44 2.774 -9.641 4.836 1.00 34.34 H new ATOM 0 HG22 ILE A 44 4.309 -9.000 5.468 1.00 34.34 H new ATOM 0 HG23 ILE A 44 4.030 -9.070 3.711 1.00 34.34 H new ATOM 0 HD11 ILE A 44 1.890 -12.639 2.947 1.00 42.04 H new ATOM 0 HD12 ILE A 44 2.127 -12.527 4.707 1.00 42.04 H new ATOM 0 HD13 ILE A 44 1.789 -11.059 3.759 1.00 42.04 H new ATOM 671 N ASP A 45 6.680 -13.081 3.631 1.00 52.34 N ATOM 672 CA ASP A 45 7.303 -14.394 3.757 1.00 65.42 C ATOM 673 C ASP A 45 8.786 -14.260 4.054 1.00 34.21 C ATOM 674 O ASP A 45 9.602 -14.051 3.158 1.00 2.14 O ATOM 675 CB ASP A 45 7.091 -15.231 2.494 1.00 13.43 C ATOM 676 CG ASP A 45 5.765 -15.959 2.496 1.00 23.11 C ATOM 677 OD1 ASP A 45 4.727 -15.320 2.234 1.00 44.51 O ATOM 678 OD2 ASP A 45 5.757 -17.178 2.759 1.00 25.22 O ATOM 0 H ASP A 45 6.318 -12.876 2.700 1.00 52.34 H new ATOM 0 HA ASP A 45 6.824 -14.908 4.591 1.00 65.42 H new ATOM 0 HB2 ASP A 45 7.144 -14.583 1.619 1.00 13.43 H new ATOM 0 HB3 ASP A 45 7.900 -15.956 2.403 1.00 13.43 H new ATOM 682 N GLY A 46 9.116 -14.377 5.325 1.00 74.01 N ATOM 683 CA GLY A 46 10.477 -14.194 5.775 1.00 60.32 C ATOM 684 C GLY A 46 10.488 -13.587 7.154 1.00 30.21 C ATOM 685 O GLY A 46 11.308 -13.941 8.004 1.00 21.01 O ATOM 0 H GLY A 46 8.453 -14.600 6.067 1.00 74.01 H new ATOM 0 HA2 GLY A 46 10.997 -15.152 5.787 1.00 60.32 H new ATOM 0 HA3 GLY A 46 11.014 -13.548 5.080 1.00 60.32 H new ATOM 689 N ASN A 47 9.552 -12.675 7.378 1.00 32.44 N ATOM 690 CA ASN A 47 9.351 -12.095 8.694 1.00 43.21 C ATOM 691 C ASN A 47 8.213 -12.826 9.373 1.00 51.32 C ATOM 692 O ASN A 47 7.058 -12.674 8.983 1.00 51.22 O ATOM 693 CB ASN A 47 9.031 -10.598 8.597 1.00 3.11 C ATOM 694 CG ASN A 47 9.017 -9.895 9.947 1.00 74.41 C ATOM 695 OD1 ASN A 47 8.631 -10.469 10.967 1.00 60.13 O ATOM 696 ND2 ASN A 47 9.451 -8.643 9.960 1.00 70.01 N ATOM 0 H ASN A 47 8.919 -12.321 6.661 1.00 32.44 H new ATOM 0 HA ASN A 47 10.268 -12.199 9.275 1.00 43.21 H new ATOM 0 HB2 ASN A 47 9.767 -10.117 7.953 1.00 3.11 H new ATOM 0 HB3 ASN A 47 8.059 -10.472 8.120 1.00 3.11 H new ATOM 0 HD21 ASN A 47 9.474 -8.120 10.836 1.00 70.01 H new ATOM 0 HD22 ASN A 47 9.762 -8.202 9.095 1.00 70.01 H new ATOM 702 N GLU A 48 8.554 -13.614 10.381 1.00 71.54 N ATOM 703 CA GLU A 48 7.586 -14.437 11.098 1.00 34.01 C ATOM 704 C GLU A 48 6.376 -13.613 11.546 1.00 40.44 C ATOM 705 O GLU A 48 5.240 -14.092 11.515 1.00 51.31 O ATOM 706 CB GLU A 48 8.293 -15.108 12.288 1.00 63.11 C ATOM 707 CG GLU A 48 7.374 -15.816 13.274 1.00 25.44 C ATOM 708 CD GLU A 48 6.842 -14.880 14.339 1.00 21.41 C ATOM 709 OE1 GLU A 48 7.659 -14.178 14.976 1.00 74.24 O ATOM 710 OE2 GLU A 48 5.614 -14.841 14.548 1.00 14.33 O ATOM 0 H GLU A 48 9.509 -13.703 10.727 1.00 71.54 H new ATOM 0 HA GLU A 48 7.200 -15.209 10.432 1.00 34.01 H new ATOM 0 HB2 GLU A 48 9.011 -15.831 11.902 1.00 63.11 H new ATOM 0 HB3 GLU A 48 8.862 -14.350 12.826 1.00 63.11 H new ATOM 0 HG2 GLU A 48 6.538 -16.260 12.733 1.00 25.44 H new ATOM 0 HG3 GLU A 48 7.916 -16.633 13.750 1.00 25.44 H new ATOM 715 N HIS A 49 6.617 -12.356 11.904 1.00 20.32 N ATOM 716 CA HIS A 49 5.551 -11.492 12.386 1.00 24.32 C ATOM 717 C HIS A 49 4.663 -11.038 11.236 1.00 52.12 C ATOM 718 O HIS A 49 3.441 -11.165 11.303 1.00 4.23 O ATOM 719 CB HIS A 49 6.127 -10.287 13.132 1.00 53.42 C ATOM 720 CG HIS A 49 6.256 -10.501 14.609 1.00 1.04 C ATOM 721 ND1 HIS A 49 7.012 -11.508 15.172 1.00 42.40 N ATOM 722 CD2 HIS A 49 5.706 -9.828 15.646 1.00 63.44 C ATOM 723 CE1 HIS A 49 6.921 -11.441 16.484 1.00 32.51 C ATOM 724 NE2 HIS A 49 6.133 -10.433 16.801 1.00 64.44 N ATOM 0 H HIS A 49 7.537 -11.917 11.869 1.00 20.32 H new ATOM 0 HA HIS A 49 4.939 -12.064 13.083 1.00 24.32 H new ATOM 0 HB2 HIS A 49 7.108 -10.051 12.721 1.00 53.42 H new ATOM 0 HB3 HIS A 49 5.490 -9.421 12.953 1.00 53.42 H new ATOM 0 HD1 HIS A 49 7.557 -12.197 14.653 1.00 42.40 H new ATOM 0 HD2 HIS A 49 5.051 -8.972 15.577 1.00 63.44 H new ATOM 0 HE1 HIS A 49 7.411 -12.102 17.184 1.00 32.51 H new ATOM 731 N LEU A 50 5.275 -10.532 10.170 1.00 0.30 N ATOM 732 CA LEU A 50 4.517 -10.043 9.022 1.00 74.43 C ATOM 733 C LEU A 50 3.792 -11.177 8.313 1.00 52.22 C ATOM 734 O LEU A 50 2.693 -10.982 7.796 1.00 1.22 O ATOM 735 CB LEU A 50 5.412 -9.296 8.030 1.00 34.52 C ATOM 736 CG LEU A 50 5.928 -7.942 8.512 1.00 41.30 C ATOM 737 CD1 LEU A 50 6.662 -7.224 7.394 1.00 12.02 C ATOM 738 CD2 LEU A 50 4.784 -7.082 9.033 1.00 24.42 C ATOM 0 H LEU A 50 6.287 -10.450 10.076 1.00 0.30 H new ATOM 0 HA LEU A 50 3.776 -9.343 9.409 1.00 74.43 H new ATOM 0 HB2 LEU A 50 6.267 -9.928 7.789 1.00 34.52 H new ATOM 0 HB3 LEU A 50 4.856 -9.146 7.105 1.00 34.52 H new ATOM 0 HG LEU A 50 6.626 -8.116 9.331 1.00 41.30 H new ATOM 0 HD11 LEU A 50 7.023 -6.261 7.755 1.00 12.02 H new ATOM 0 HD12 LEU A 50 7.508 -7.829 7.067 1.00 12.02 H new ATOM 0 HD13 LEU A 50 5.983 -7.066 6.556 1.00 12.02 H new ATOM 0 HD21 LEU A 50 5.175 -6.122 9.371 1.00 24.42 H new ATOM 0 HD22 LEU A 50 4.060 -6.918 8.235 1.00 24.42 H new ATOM 0 HD23 LEU A 50 4.298 -7.589 9.866 1.00 24.42 H new ATOM 749 N THR A 51 4.402 -12.357 8.286 1.00 13.33 N ATOM 750 CA THR A 51 3.754 -13.519 7.700 1.00 61.23 C ATOM 751 C THR A 51 2.421 -13.789 8.401 1.00 2.12 C ATOM 752 O THR A 51 1.373 -13.801 7.767 1.00 54.24 O ATOM 753 CB THR A 51 4.637 -14.780 7.783 1.00 2.01 C ATOM 754 OG1 THR A 51 5.934 -14.521 7.227 1.00 21.12 O ATOM 755 CG2 THR A 51 3.990 -15.937 7.035 1.00 40.34 C ATOM 0 H THR A 51 5.335 -12.531 8.660 1.00 13.33 H new ATOM 0 HA THR A 51 3.584 -13.294 6.647 1.00 61.23 H new ATOM 0 HB THR A 51 4.743 -15.049 8.834 1.00 2.01 H new ATOM 0 HG1 THR A 51 5.928 -13.652 6.773 1.00 21.12 H new ATOM 0 HG21 THR A 51 4.628 -16.818 7.105 1.00 40.34 H new ATOM 0 HG22 THR A 51 3.018 -16.157 7.476 1.00 40.34 H new ATOM 0 HG23 THR A 51 3.860 -15.666 5.987 1.00 40.34 H new ATOM 763 N ARG A 52 2.459 -13.963 9.715 1.00 53.31 N ATOM 764 CA ARG A 52 1.248 -14.252 10.475 1.00 35.01 C ATOM 765 C ARG A 52 0.255 -13.094 10.409 1.00 1.50 C ATOM 766 O ARG A 52 -0.959 -13.305 10.454 1.00 64.40 O ATOM 767 CB ARG A 52 1.590 -14.575 11.929 1.00 23.34 C ATOM 768 CG ARG A 52 2.267 -15.927 12.096 1.00 11.55 C ATOM 769 CD ARG A 52 1.379 -17.053 11.584 1.00 55.01 C ATOM 770 NE ARG A 52 2.031 -18.357 11.677 1.00 2.41 N ATOM 771 CZ ARG A 52 1.597 -19.456 11.059 1.00 2.24 C ATOM 772 NH1 ARG A 52 0.506 -19.420 10.300 1.00 5.42 N ATOM 773 NH2 ARG A 52 2.262 -20.596 11.200 1.00 73.52 N ATOM 0 H ARG A 52 3.310 -13.910 10.275 1.00 53.31 H new ATOM 0 HA ARG A 52 0.776 -15.124 10.022 1.00 35.01 H new ATOM 0 HB2 ARG A 52 2.243 -13.797 12.324 1.00 23.34 H new ATOM 0 HB3 ARG A 52 0.677 -14.557 12.524 1.00 23.34 H new ATOM 0 HG2 ARG A 52 3.214 -15.932 11.556 1.00 11.55 H new ATOM 0 HG3 ARG A 52 2.500 -16.093 13.148 1.00 11.55 H new ATOM 0 HD2 ARG A 52 0.452 -17.071 12.157 1.00 55.01 H new ATOM 0 HD3 ARG A 52 1.109 -16.857 10.546 1.00 55.01 H new ATOM 0 HE ARG A 52 2.871 -18.431 12.251 1.00 2.41 H new ATOM 0 HH11 ARG A 52 -0.007 -18.546 10.186 1.00 5.42 H new ATOM 0 HH12 ARG A 52 0.182 -20.266 9.832 1.00 5.42 H new ATOM 0 HH21 ARG A 52 3.101 -20.629 11.779 1.00 73.52 H new ATOM 0 HH22 ARG A 52 1.934 -21.439 10.729 1.00 73.52 H new ATOM 784 N LEU A 53 0.770 -11.876 10.306 1.00 2.41 N ATOM 785 CA LEU A 53 -0.069 -10.687 10.227 1.00 55.11 C ATOM 786 C LEU A 53 -0.823 -10.593 8.900 1.00 74.34 C ATOM 787 O LEU A 53 -2.029 -10.334 8.890 1.00 21.12 O ATOM 788 CB LEU A 53 0.781 -9.426 10.418 1.00 2.10 C ATOM 789 CG LEU A 53 1.235 -9.145 11.850 1.00 12.14 C ATOM 790 CD1 LEU A 53 2.237 -8.001 11.873 1.00 33.11 C ATOM 791 CD2 LEU A 53 0.041 -8.812 12.726 1.00 51.22 C ATOM 0 H LEU A 53 1.771 -11.685 10.275 1.00 2.41 H new ATOM 0 HA LEU A 53 -0.807 -10.766 11.025 1.00 55.11 H new ATOM 0 HB2 LEU A 53 1.665 -9.506 9.785 1.00 2.10 H new ATOM 0 HB3 LEU A 53 0.211 -8.568 10.062 1.00 2.10 H new ATOM 0 HG LEU A 53 1.718 -10.040 12.242 1.00 12.14 H new ATOM 0 HD11 LEU A 53 2.551 -7.813 12.900 1.00 33.11 H new ATOM 0 HD12 LEU A 53 3.106 -8.266 11.271 1.00 33.11 H new ATOM 0 HD13 LEU A 53 1.773 -7.103 11.465 1.00 33.11 H new ATOM 0 HD21 LEU A 53 0.380 -8.614 13.743 1.00 51.22 H new ATOM 0 HD22 LEU A 53 -0.463 -7.929 12.333 1.00 51.22 H new ATOM 0 HD23 LEU A 53 -0.652 -9.653 12.732 1.00 51.22 H new ATOM 802 N TYR A 54 -0.128 -10.801 7.785 1.00 41.14 N ATOM 803 CA TYR A 54 -0.707 -10.472 6.483 1.00 32.45 C ATOM 804 C TYR A 54 -0.890 -11.674 5.552 1.00 51.13 C ATOM 805 O TYR A 54 -1.523 -11.534 4.504 1.00 22.04 O ATOM 806 CB TYR A 54 0.141 -9.404 5.788 1.00 32.22 C ATOM 807 CG TYR A 54 0.116 -8.059 6.482 1.00 72.12 C ATOM 808 CD1 TYR A 54 -0.899 -7.145 6.227 1.00 34.23 C ATOM 809 CD2 TYR A 54 1.101 -7.706 7.396 1.00 34.52 C ATOM 810 CE1 TYR A 54 -0.929 -5.917 6.861 1.00 51.51 C ATOM 811 CE2 TYR A 54 1.078 -6.481 8.035 1.00 12.04 C ATOM 812 CZ TYR A 54 0.059 -5.590 7.764 1.00 11.10 C ATOM 813 OH TYR A 54 0.037 -4.364 8.392 1.00 73.55 O ATOM 0 H TYR A 54 0.816 -11.187 7.753 1.00 41.14 H new ATOM 0 HA TYR A 54 -1.709 -10.095 6.690 1.00 32.45 H new ATOM 0 HB2 TYR A 54 1.172 -9.753 5.729 1.00 32.22 H new ATOM 0 HB3 TYR A 54 -0.213 -9.281 4.764 1.00 32.22 H new ATOM 0 HD1 TYR A 54 -1.677 -7.398 5.522 1.00 34.23 H new ATOM 0 HD2 TYR A 54 1.899 -8.401 7.611 1.00 34.52 H new ATOM 0 HE1 TYR A 54 -1.724 -5.217 6.649 1.00 51.51 H new ATOM 0 HE2 TYR A 54 1.852 -6.222 8.742 1.00 12.04 H new ATOM 0 HH TYR A 54 -0.850 -3.960 8.291 1.00 73.55 H new ATOM 822 N ASN A 55 -0.353 -12.845 5.893 1.00 1.52 N ATOM 823 CA ASN A 55 -0.538 -14.017 5.033 1.00 21.14 C ATOM 824 C ASN A 55 -1.941 -14.576 5.224 1.00 55.25 C ATOM 825 O ASN A 55 -2.167 -15.500 6.011 1.00 31.32 O ATOM 826 CB ASN A 55 0.511 -15.107 5.293 1.00 74.32 C ATOM 827 CG ASN A 55 0.551 -16.157 4.188 1.00 23.24 C ATOM 828 OD1 ASN A 55 -0.450 -16.429 3.528 1.00 1.53 O ATOM 829 ND2 ASN A 55 1.717 -16.755 3.974 1.00 21.03 N ATOM 0 H ASN A 55 0.199 -13.008 6.735 1.00 1.52 H new ATOM 0 HA ASN A 55 -0.407 -13.692 4.001 1.00 21.14 H new ATOM 0 HB2 ASN A 55 1.494 -14.645 5.386 1.00 74.32 H new ATOM 0 HB3 ASN A 55 0.296 -15.594 6.244 1.00 74.32 H new ATOM 0 HD21 ASN A 55 1.801 -17.463 3.244 1.00 21.03 H new ATOM 0 HD22 ASN A 55 2.529 -16.507 4.539 1.00 21.03 H new ATOM 835 N ASP A 56 -2.877 -13.968 4.517 1.00 23.45 N ATOM 836 CA ASP A 56 -4.289 -14.306 4.612 1.00 40.21 C ATOM 837 C ASP A 56 -4.978 -13.934 3.308 1.00 20.13 C ATOM 838 O ASP A 56 -5.540 -14.785 2.624 1.00 60.50 O ATOM 839 CB ASP A 56 -4.923 -13.550 5.786 1.00 1.03 C ATOM 840 CG ASP A 56 -6.434 -13.666 5.840 1.00 63.20 C ATOM 841 OD1 ASP A 56 -6.943 -14.702 6.303 1.00 43.23 O ATOM 842 OD2 ASP A 56 -7.119 -12.701 5.435 1.00 74.51 O ATOM 0 H ASP A 56 -2.678 -13.219 3.854 1.00 23.45 H new ATOM 0 HA ASP A 56 -4.404 -15.376 4.785 1.00 40.21 H new ATOM 0 HB2 ASP A 56 -4.505 -13.928 6.719 1.00 1.03 H new ATOM 0 HB3 ASP A 56 -4.650 -12.497 5.718 1.00 1.03 H new ATOM 846 N ARG A 57 -4.905 -12.654 2.972 1.00 20.33 N ATOM 847 CA ARG A 57 -5.418 -12.121 1.722 1.00 65.52 C ATOM 848 C ARG A 57 -4.681 -10.826 1.480 1.00 45.53 C ATOM 849 O ARG A 57 -5.094 -9.774 1.963 1.00 13.21 O ATOM 850 CB ARG A 57 -6.933 -11.885 1.794 1.00 40.13 C ATOM 851 CG ARG A 57 -7.766 -13.135 1.556 1.00 23.43 C ATOM 852 CD ARG A 57 -9.154 -13.012 2.159 1.00 41.04 C ATOM 853 NE ARG A 57 -9.116 -12.992 3.619 1.00 72.40 N ATOM 854 CZ ARG A 57 -10.175 -13.168 4.405 1.00 1.41 C ATOM 855 NH1 ARG A 57 -11.374 -13.402 3.880 1.00 71.12 N ATOM 856 NH2 ARG A 57 -10.024 -13.127 5.720 1.00 2.43 N ATOM 0 H ARG A 57 -4.480 -11.947 3.572 1.00 20.33 H new ATOM 0 HA ARG A 57 -5.259 -12.825 0.906 1.00 65.52 H new ATOM 0 HB2 ARG A 57 -7.181 -11.477 2.774 1.00 40.13 H new ATOM 0 HB3 ARG A 57 -7.208 -11.131 1.056 1.00 40.13 H new ATOM 0 HG2 ARG A 57 -7.850 -13.317 0.485 1.00 23.43 H new ATOM 0 HG3 ARG A 57 -7.258 -13.998 1.987 1.00 23.43 H new ATOM 0 HD2 ARG A 57 -9.627 -12.100 1.796 1.00 41.04 H new ATOM 0 HD3 ARG A 57 -9.770 -13.846 1.824 1.00 41.04 H new ATOM 0 HE ARG A 57 -8.214 -12.832 4.068 1.00 72.40 H new ATOM 0 HH11 ARG A 57 -11.487 -13.448 2.867 1.00 71.12 H new ATOM 0 HH12 ARG A 57 -12.181 -13.536 4.490 1.00 71.12 H new ATOM 0 HH21 ARG A 57 -9.101 -12.962 6.123 1.00 2.43 H new ATOM 0 HH22 ARG A 57 -10.830 -13.261 6.330 1.00 2.43 H new ATOM 867 N VAL A 58 -3.558 -10.918 0.783 1.00 32.20 N ATOM 868 CA VAL A 58 -2.578 -9.870 0.806 1.00 71.54 C ATOM 869 C VAL A 58 -2.918 -8.704 -0.105 1.00 61.12 C ATOM 870 O VAL A 58 -3.901 -8.006 0.144 1.00 61.13 O ATOM 871 CB VAL A 58 -1.144 -10.397 0.543 1.00 11.41 C ATOM 872 CG1 VAL A 58 -0.305 -10.283 1.801 1.00 11.43 C ATOM 873 CG2 VAL A 58 -1.162 -11.839 0.055 1.00 30.03 C ATOM 0 H VAL A 58 -3.313 -11.715 0.196 1.00 32.20 H new ATOM 0 HA VAL A 58 -2.601 -9.479 1.823 1.00 71.54 H new ATOM 0 HB VAL A 58 -0.701 -9.783 -0.241 1.00 11.41 H new ATOM 0 HG11 VAL A 58 0.700 -10.656 1.603 1.00 11.43 H new ATOM 0 HG12 VAL A 58 -0.250 -9.239 2.108 1.00 11.43 H new ATOM 0 HG13 VAL A 58 -0.761 -10.872 2.597 1.00 11.43 H new ATOM 0 HG21 VAL A 58 -0.140 -12.177 -0.120 1.00 30.03 H new ATOM 0 HG22 VAL A 58 -1.630 -12.472 0.809 1.00 30.03 H new ATOM 0 HG23 VAL A 58 -1.729 -11.902 -0.874 1.00 30.03 H new ATOM 883 N PRO A 59 -2.215 -8.557 -1.234 1.00 75.33 N ATOM 884 CA PRO A 59 -1.792 -7.272 -1.725 1.00 43.02 C ATOM 885 C PRO A 59 -2.412 -6.085 -0.974 1.00 60.43 C ATOM 886 O PRO A 59 -3.282 -5.387 -1.487 1.00 33.21 O ATOM 887 CB PRO A 59 -2.200 -7.342 -3.192 1.00 23.22 C ATOM 888 CG PRO A 59 -2.093 -8.804 -3.547 1.00 64.24 C ATOM 889 CD PRO A 59 -1.938 -9.575 -2.249 1.00 30.31 C ATOM 0 HA PRO A 59 -0.727 -7.089 -1.579 1.00 43.02 H new ATOM 0 HB2 PRO A 59 -3.214 -6.971 -3.340 1.00 23.22 H new ATOM 0 HB3 PRO A 59 -1.545 -6.734 -3.815 1.00 23.22 H new ATOM 0 HG2 PRO A 59 -2.981 -9.134 -4.086 1.00 64.24 H new ATOM 0 HG3 PRO A 59 -1.239 -8.979 -4.202 1.00 64.24 H new ATOM 0 HD2 PRO A 59 -2.637 -10.409 -2.187 1.00 30.31 H new ATOM 0 HD3 PRO A 59 -0.936 -9.991 -2.142 1.00 30.31 H new ATOM 894 N VAL A 60 -1.941 -5.880 0.258 1.00 40.31 N ATOM 895 CA VAL A 60 -2.581 -4.955 1.191 1.00 35.55 C ATOM 896 C VAL A 60 -1.870 -3.608 1.197 1.00 52.20 C ATOM 897 O VAL A 60 -0.639 -3.548 1.233 1.00 3.14 O ATOM 898 CB VAL A 60 -2.583 -5.517 2.641 1.00 10.41 C ATOM 899 CG1 VAL A 60 -3.829 -5.093 3.391 1.00 31.41 C ATOM 900 CG2 VAL A 60 -2.473 -7.028 2.655 1.00 20.24 C ATOM 0 H VAL A 60 -1.114 -6.346 0.632 1.00 40.31 H new ATOM 0 HA VAL A 60 -3.609 -4.830 0.852 1.00 35.55 H new ATOM 0 HB VAL A 60 -1.708 -5.101 3.141 1.00 10.41 H new ATOM 0 HG11 VAL A 60 -3.802 -5.501 4.401 1.00 31.41 H new ATOM 0 HG12 VAL A 60 -3.872 -4.005 3.440 1.00 31.41 H new ATOM 0 HG13 VAL A 60 -4.711 -5.468 2.872 1.00 31.41 H new ATOM 0 HG21 VAL A 60 -2.478 -7.384 3.685 1.00 20.24 H new ATOM 0 HG22 VAL A 60 -3.318 -7.459 2.118 1.00 20.24 H new ATOM 0 HG23 VAL A 60 -1.544 -7.330 2.171 1.00 20.24 H new ATOM 910 N LEU A 61 -2.646 -2.532 1.163 1.00 12.50 N ATOM 911 CA LEU A 61 -2.092 -1.188 1.239 1.00 32.11 C ATOM 912 C LEU A 61 -2.077 -0.691 2.675 1.00 52.31 C ATOM 913 O LEU A 61 -3.121 -0.377 3.252 1.00 61.21 O ATOM 914 CB LEU A 61 -2.884 -0.210 0.370 1.00 32.43 C ATOM 915 CG LEU A 61 -2.636 -0.322 -1.131 1.00 33.25 C ATOM 916 CD1 LEU A 61 -3.454 0.718 -1.878 1.00 12.10 C ATOM 917 CD2 LEU A 61 -1.153 -0.157 -1.439 1.00 64.41 C ATOM 0 H LEU A 61 -3.662 -2.565 1.083 1.00 12.50 H new ATOM 0 HA LEU A 61 -1.069 -1.238 0.865 1.00 32.11 H new ATOM 0 HB2 LEU A 61 -3.947 -0.361 0.558 1.00 32.43 H new ATOM 0 HB3 LEU A 61 -2.646 0.806 0.686 1.00 32.43 H new ATOM 0 HG LEU A 61 -2.948 -1.312 -1.463 1.00 33.25 H new ATOM 0 HD11 LEU A 61 -3.268 0.627 -2.948 1.00 12.10 H new ATOM 0 HD12 LEU A 61 -4.514 0.559 -1.679 1.00 12.10 H new ATOM 0 HD13 LEU A 61 -3.168 1.715 -1.543 1.00 12.10 H new ATOM 0 HD21 LEU A 61 -0.993 -0.240 -2.514 1.00 64.41 H new ATOM 0 HD22 LEU A 61 -0.817 0.822 -1.096 1.00 64.41 H new ATOM 0 HD23 LEU A 61 -0.586 -0.935 -0.927 1.00 64.41 H new ATOM 928 N PHE A 62 -0.890 -0.625 3.243 1.00 24.21 N ATOM 929 CA PHE A 62 -0.714 -0.148 4.602 1.00 50.41 C ATOM 930 C PHE A 62 -0.430 1.348 4.610 1.00 2.40 C ATOM 931 O PHE A 62 0.510 1.819 3.964 1.00 3.12 O ATOM 932 CB PHE A 62 0.429 -0.909 5.276 1.00 13.42 C ATOM 933 CG PHE A 62 0.779 -0.409 6.648 1.00 63.33 C ATOM 934 CD1 PHE A 62 -0.026 -0.708 7.738 1.00 54.52 C ATOM 935 CD2 PHE A 62 1.914 0.361 6.849 1.00 31.11 C ATOM 936 CE1 PHE A 62 0.294 -0.243 8.998 1.00 73.23 C ATOM 937 CE2 PHE A 62 2.238 0.827 8.105 1.00 13.10 C ATOM 938 CZ PHE A 62 1.428 0.524 9.182 1.00 53.12 C ATOM 0 H PHE A 62 -0.024 -0.899 2.780 1.00 24.21 H new ATOM 0 HA PHE A 62 -1.635 -0.325 5.158 1.00 50.41 H new ATOM 0 HB2 PHE A 62 0.158 -1.963 5.344 1.00 13.42 H new ATOM 0 HB3 PHE A 62 1.314 -0.848 4.643 1.00 13.42 H new ATOM 0 HD1 PHE A 62 -0.912 -1.310 7.599 1.00 54.52 H new ATOM 0 HD2 PHE A 62 2.552 0.599 6.011 1.00 31.11 H new ATOM 0 HE1 PHE A 62 -0.342 -0.479 9.839 1.00 73.23 H new ATOM 0 HE2 PHE A 62 3.124 1.428 8.247 1.00 13.10 H new ATOM 0 HZ PHE A 62 1.681 0.887 10.167 1.00 53.12 H new ATOM 947 N ALA A 63 -1.256 2.087 5.332 1.00 72.24 N ATOM 948 CA ALA A 63 -1.059 3.511 5.499 1.00 62.31 C ATOM 949 C ALA A 63 0.071 3.756 6.486 1.00 40.41 C ATOM 950 O ALA A 63 -0.091 3.542 7.682 1.00 74.44 O ATOM 951 CB ALA A 63 -2.339 4.171 5.981 1.00 34.23 C ATOM 0 H ALA A 63 -2.075 1.717 5.814 1.00 72.24 H new ATOM 0 HA ALA A 63 -0.793 3.950 4.537 1.00 62.31 H new ATOM 0 HB1 ALA A 63 -2.173 5.242 6.101 1.00 34.23 H new ATOM 0 HB2 ALA A 63 -3.131 4.006 5.250 1.00 34.23 H new ATOM 0 HB3 ALA A 63 -2.633 3.739 6.938 1.00 34.23 H new ATOM 957 N VAL A 64 1.208 4.191 5.979 1.00 13.42 N ATOM 958 CA VAL A 64 2.403 4.361 6.802 1.00 5.44 C ATOM 959 C VAL A 64 2.254 5.525 7.778 1.00 54.02 C ATOM 960 O VAL A 64 2.787 5.493 8.886 1.00 65.32 O ATOM 961 CB VAL A 64 3.647 4.563 5.904 1.00 64.13 C ATOM 962 CG1 VAL A 64 4.912 4.793 6.721 1.00 25.54 C ATOM 963 CG2 VAL A 64 3.816 3.362 4.990 1.00 21.24 C ATOM 0 H VAL A 64 1.336 4.436 4.997 1.00 13.42 H new ATOM 0 HA VAL A 64 2.534 3.453 7.391 1.00 5.44 H new ATOM 0 HB VAL A 64 3.487 5.459 5.305 1.00 64.13 H new ATOM 0 HG11 VAL A 64 5.759 4.930 6.049 1.00 25.54 H new ATOM 0 HG12 VAL A 64 4.790 5.684 7.337 1.00 25.54 H new ATOM 0 HG13 VAL A 64 5.093 3.930 7.362 1.00 25.54 H new ATOM 0 HG21 VAL A 64 4.693 3.506 4.358 1.00 21.24 H new ATOM 0 HG22 VAL A 64 3.946 2.462 5.592 1.00 21.24 H new ATOM 0 HG23 VAL A 64 2.931 3.254 4.363 1.00 21.24 H new ATOM 973 N ASN A 65 1.501 6.539 7.377 1.00 62.44 N ATOM 974 CA ASN A 65 1.310 7.720 8.215 1.00 42.45 C ATOM 975 C ASN A 65 0.231 7.470 9.257 1.00 51.25 C ATOM 976 O ASN A 65 0.390 7.804 10.430 1.00 24.23 O ATOM 977 CB ASN A 65 0.906 8.932 7.366 1.00 75.44 C ATOM 978 CG ASN A 65 1.845 9.194 6.208 1.00 33.24 C ATOM 979 OD1 ASN A 65 1.635 8.695 5.101 1.00 54.41 O ATOM 980 ND2 ASN A 65 2.879 9.984 6.449 1.00 4.12 N ATOM 0 H ASN A 65 1.013 6.571 6.482 1.00 62.44 H new ATOM 0 HA ASN A 65 2.258 7.926 8.712 1.00 42.45 H new ATOM 0 HB2 ASN A 65 -0.101 8.776 6.979 1.00 75.44 H new ATOM 0 HB3 ASN A 65 0.870 9.816 8.002 1.00 75.44 H new ATOM 0 HD21 ASN A 65 3.540 10.201 5.703 1.00 4.12 H new ATOM 0 HD22 ASN A 65 3.015 10.376 7.381 1.00 4.12 H new ATOM 986 N GLU A 66 -0.870 6.874 8.816 1.00 54.21 N ATOM 987 CA GLU A 66 -2.038 6.684 9.667 1.00 14.34 C ATOM 988 C GLU A 66 -1.915 5.403 10.495 1.00 20.23 C ATOM 989 O GLU A 66 -2.582 5.249 11.520 1.00 73.11 O ATOM 990 CB GLU A 66 -3.291 6.615 8.797 1.00 31.33 C ATOM 991 CG GLU A 66 -4.481 7.356 9.371 1.00 33.00 C ATOM 992 CD GLU A 66 -4.316 8.863 9.324 1.00 1.44 C ATOM 993 OE1 GLU A 66 -3.522 9.361 8.497 1.00 4.34 O ATOM 994 OE2 GLU A 66 -5.006 9.564 10.088 1.00 31.23 O ATOM 0 H GLU A 66 -0.978 6.512 7.869 1.00 54.21 H new ATOM 0 HA GLU A 66 -2.107 7.527 10.354 1.00 14.34 H new ATOM 0 HB2 GLU A 66 -3.061 7.025 7.813 1.00 31.33 H new ATOM 0 HB3 GLU A 66 -3.563 5.569 8.651 1.00 31.33 H new ATOM 0 HG2 GLU A 66 -5.378 7.076 8.818 1.00 33.00 H new ATOM 0 HG3 GLU A 66 -4.633 7.044 10.404 1.00 33.00 H new ATOM 999 N ASP A 67 -1.062 4.492 10.026 1.00 54.44 N ATOM 1000 CA ASP A 67 -0.842 3.191 10.664 1.00 32.01 C ATOM 1001 C ASP A 67 -2.131 2.368 10.664 1.00 34.31 C ATOM 1002 O ASP A 67 -2.805 2.242 11.688 1.00 31.13 O ATOM 1003 CB ASP A 67 -0.299 3.356 12.092 1.00 75.23 C ATOM 1004 CG ASP A 67 0.515 2.161 12.552 1.00 1.13 C ATOM 1005 OD1 ASP A 67 1.742 2.150 12.311 1.00 41.24 O ATOM 1006 OD2 ASP A 67 -0.053 1.237 13.168 1.00 22.12 O ATOM 0 H ASP A 67 -0.500 4.636 9.187 1.00 54.44 H new ATOM 0 HA ASP A 67 -0.091 2.655 10.084 1.00 32.01 H new ATOM 0 HB2 ASP A 67 0.320 4.252 12.139 1.00 75.23 H new ATOM 0 HB3 ASP A 67 -1.133 3.508 12.778 1.00 75.23 H new ATOM 1010 N LYS A 68 -2.486 1.850 9.486 1.00 74.42 N ATOM 1011 CA LYS A 68 -3.701 1.051 9.309 1.00 61.02 C ATOM 1012 C LYS A 68 -3.734 0.452 7.905 1.00 41.51 C ATOM 1013 O LYS A 68 -3.077 0.962 6.997 1.00 45.45 O ATOM 1014 CB LYS A 68 -4.959 1.912 9.511 1.00 23.40 C ATOM 1015 CG LYS A 68 -5.167 2.951 8.418 1.00 13.41 C ATOM 1016 CD LYS A 68 -6.494 3.680 8.566 1.00 22.43 C ATOM 1017 CE LYS A 68 -6.509 4.575 9.791 1.00 43.33 C ATOM 1018 NZ LYS A 68 -7.772 5.349 9.905 1.00 41.30 N ATOM 0 H LYS A 68 -1.942 1.972 8.632 1.00 74.42 H new ATOM 0 HA LYS A 68 -3.690 0.255 10.054 1.00 61.02 H new ATOM 0 HB2 LYS A 68 -5.832 1.261 9.553 1.00 23.40 H new ATOM 0 HB3 LYS A 68 -4.892 2.418 10.474 1.00 23.40 H new ATOM 0 HG2 LYS A 68 -4.352 3.674 8.446 1.00 13.41 H new ATOM 0 HG3 LYS A 68 -5.128 2.464 7.444 1.00 13.41 H new ATOM 0 HD2 LYS A 68 -6.681 4.279 7.675 1.00 22.43 H new ATOM 0 HD3 LYS A 68 -7.303 2.953 8.637 1.00 22.43 H new ATOM 0 HE2 LYS A 68 -6.376 3.966 10.685 1.00 43.33 H new ATOM 0 HE3 LYS A 68 -5.665 5.264 9.746 1.00 43.33 H new ATOM 0 HZ1 LYS A 68 -7.738 5.946 10.756 1.00 41.30 H new ATOM 0 HZ2 LYS A 68 -7.888 5.950 9.064 1.00 41.30 H new ATOM 0 HZ3 LYS A 68 -8.576 4.693 9.975 1.00 41.30 H new ATOM 1028 N GLU A 69 -4.493 -0.622 7.722 1.00 13.13 N ATOM 1029 CA GLU A 69 -4.706 -1.182 6.393 1.00 60.14 C ATOM 1030 C GLU A 69 -5.844 -0.446 5.693 1.00 71.14 C ATOM 1031 O GLU A 69 -6.980 -0.440 6.175 1.00 41.22 O ATOM 1032 CB GLU A 69 -5.036 -2.679 6.459 1.00 51.45 C ATOM 1033 CG GLU A 69 -3.879 -3.564 6.896 1.00 10.20 C ATOM 1034 CD GLU A 69 -3.566 -3.454 8.373 1.00 3.23 C ATOM 1035 OE1 GLU A 69 -4.502 -3.582 9.192 1.00 4.14 O ATOM 1036 OE2 GLU A 69 -2.387 -3.269 8.724 1.00 5.31 O ATOM 0 H GLU A 69 -4.969 -1.121 8.474 1.00 13.13 H new ATOM 0 HA GLU A 69 -3.781 -1.058 5.830 1.00 60.14 H new ATOM 0 HB2 GLU A 69 -5.868 -2.824 7.148 1.00 51.45 H new ATOM 0 HB3 GLU A 69 -5.376 -3.006 5.476 1.00 51.45 H new ATOM 0 HG2 GLU A 69 -4.114 -4.601 6.658 1.00 10.20 H new ATOM 0 HG3 GLU A 69 -2.991 -3.299 6.323 1.00 10.20 H new ATOM 1041 N LEU A 70 -5.539 0.184 4.568 1.00 24.14 N ATOM 1042 CA LEU A 70 -6.547 0.918 3.811 1.00 32.03 C ATOM 1043 C LEU A 70 -7.252 0.005 2.828 1.00 43.04 C ATOM 1044 O LEU A 70 -8.436 -0.304 2.969 1.00 65.32 O ATOM 1045 CB LEU A 70 -5.918 2.051 3.006 1.00 65.51 C ATOM 1046 CG LEU A 70 -5.133 3.095 3.784 1.00 42.52 C ATOM 1047 CD1 LEU A 70 -4.588 4.120 2.807 1.00 20.21 C ATOM 1048 CD2 LEU A 70 -6.005 3.768 4.839 1.00 31.44 C ATOM 0 H LEU A 70 -4.605 0.203 4.159 1.00 24.14 H new ATOM 0 HA LEU A 70 -7.253 1.319 4.538 1.00 32.03 H new ATOM 0 HB2 LEU A 70 -5.253 1.611 2.263 1.00 65.51 H new ATOM 0 HB3 LEU A 70 -6.712 2.561 2.460 1.00 65.51 H new ATOM 0 HG LEU A 70 -4.310 2.609 4.308 1.00 42.52 H new ATOM 0 HD11 LEU A 70 -4.022 4.876 3.351 1.00 20.21 H new ATOM 0 HD12 LEU A 70 -3.935 3.626 2.088 1.00 20.21 H new ATOM 0 HD13 LEU A 70 -5.415 4.595 2.280 1.00 20.21 H new ATOM 0 HD21 LEU A 70 -5.416 4.509 5.379 1.00 31.44 H new ATOM 0 HD22 LEU A 70 -6.849 4.258 4.354 1.00 31.44 H new ATOM 0 HD23 LEU A 70 -6.374 3.018 5.539 1.00 31.44 H new ATOM 1059 N CYS A 71 -6.497 -0.418 1.827 1.00 44.40 N ATOM 1060 CA CYS A 71 -7.037 -1.174 0.717 1.00 64.13 C ATOM 1061 C CYS A 71 -6.381 -2.543 0.639 1.00 50.31 C ATOM 1062 O CYS A 71 -5.402 -2.814 1.333 1.00 14.21 O ATOM 1063 CB CYS A 71 -6.824 -0.398 -0.588 1.00 61.11 C ATOM 1064 SG CYS A 71 -7.605 1.231 -0.609 1.00 44.32 S ATOM 0 H CYS A 71 -5.494 -0.245 1.764 1.00 44.40 H new ATOM 0 HA CYS A 71 -8.106 -1.319 0.871 1.00 64.13 H new ATOM 0 HB2 CYS A 71 -5.754 -0.279 -0.758 1.00 61.11 H new ATOM 0 HB3 CYS A 71 -7.214 -0.988 -1.417 1.00 61.11 H new ATOM 0 HG CYS A 71 -7.369 1.811 -1.748 1.00 44.32 H new ATOM 1069 N HIS A 72 -6.924 -3.389 -0.212 1.00 14.23 N ATOM 1070 CA HIS A 72 -6.435 -4.751 -0.378 1.00 31.44 C ATOM 1071 C HIS A 72 -6.282 -5.061 -1.853 1.00 13.43 C ATOM 1072 O HIS A 72 -6.417 -4.164 -2.688 1.00 64.31 O ATOM 1073 CB HIS A 72 -7.407 -5.747 0.268 1.00 35.34 C ATOM 1074 CG HIS A 72 -8.844 -5.501 -0.107 1.00 21.34 C ATOM 1075 ND1 HIS A 72 -9.357 -5.741 -1.366 1.00 1.31 N ATOM 1076 CD2 HIS A 72 -9.866 -4.987 0.615 1.00 32.23 C ATOM 1077 CE1 HIS A 72 -10.625 -5.378 -1.399 1.00 74.01 C ATOM 1078 NE2 HIS A 72 -10.962 -4.915 -0.210 1.00 65.04 N ATOM 0 H HIS A 72 -7.717 -3.156 -0.810 1.00 14.23 H new ATOM 0 HA HIS A 72 -5.465 -4.842 0.112 1.00 31.44 H new ATOM 0 HB2 HIS A 72 -7.129 -6.759 -0.027 1.00 35.34 H new ATOM 0 HB3 HIS A 72 -7.307 -5.692 1.352 1.00 35.34 H new ATOM 0 HD1 HIS A 72 -8.837 -6.137 -2.149 1.00 1.31 H new ATOM 0 HD2 HIS A 72 -9.827 -4.688 1.652 1.00 32.23 H new ATOM 0 HE1 HIS A 72 -11.278 -5.448 -2.256 1.00 74.01 H new ATOM 1085 N TYR A 73 -5.995 -6.324 -2.171 1.00 1.32 N ATOM 1086 CA TYR A 73 -5.924 -6.765 -3.559 1.00 53.12 C ATOM 1087 C TYR A 73 -7.201 -6.369 -4.290 1.00 32.51 C ATOM 1088 O TYR A 73 -8.297 -6.497 -3.736 1.00 41.22 O ATOM 1089 CB TYR A 73 -5.679 -8.275 -3.647 1.00 14.34 C ATOM 1090 CG TYR A 73 -6.794 -9.123 -3.093 1.00 3.24 C ATOM 1091 CD1 TYR A 73 -6.991 -9.248 -1.728 1.00 43.24 C ATOM 1092 CD2 TYR A 73 -7.641 -9.810 -3.945 1.00 73.35 C ATOM 1093 CE1 TYR A 73 -8.010 -10.032 -1.224 1.00 70.12 C ATOM 1094 CE2 TYR A 73 -8.662 -10.593 -3.455 1.00 11.42 C ATOM 1095 CZ TYR A 73 -8.843 -10.704 -2.094 1.00 45.02 C ATOM 1096 OH TYR A 73 -9.862 -11.488 -1.601 1.00 32.33 O ATOM 0 H TYR A 73 -5.809 -7.056 -1.486 1.00 1.32 H new ATOM 0 HA TYR A 73 -5.079 -6.273 -4.041 1.00 53.12 H new ATOM 0 HB2 TYR A 73 -5.520 -8.544 -4.691 1.00 14.34 H new ATOM 0 HB3 TYR A 73 -4.759 -8.513 -3.113 1.00 14.34 H new ATOM 0 HD1 TYR A 73 -6.337 -8.724 -1.047 1.00 43.24 H new ATOM 0 HD2 TYR A 73 -7.499 -9.731 -5.013 1.00 73.35 H new ATOM 0 HE1 TYR A 73 -8.154 -10.118 -0.157 1.00 70.12 H new ATOM 0 HE2 TYR A 73 -9.318 -11.118 -4.134 1.00 11.42 H new ATOM 0 HH TYR A 73 -10.355 -11.890 -2.346 1.00 32.33 H new ATOM 1105 N PHE A 74 -7.042 -5.893 -5.525 1.00 42.44 N ATOM 1106 CA PHE A 74 -8.119 -5.231 -6.262 1.00 65.23 C ATOM 1107 C PHE A 74 -8.390 -3.872 -5.629 1.00 51.24 C ATOM 1108 O PHE A 74 -9.076 -3.764 -4.615 1.00 20.10 O ATOM 1109 CB PHE A 74 -9.400 -6.079 -6.326 1.00 3.41 C ATOM 1110 CG PHE A 74 -9.282 -7.284 -7.218 1.00 75.23 C ATOM 1111 CD1 PHE A 74 -8.782 -8.479 -6.729 1.00 33.51 C ATOM 1112 CD2 PHE A 74 -9.671 -7.217 -8.545 1.00 73.42 C ATOM 1113 CE1 PHE A 74 -8.674 -9.586 -7.546 1.00 23.04 C ATOM 1114 CE2 PHE A 74 -9.565 -8.321 -9.368 1.00 3.13 C ATOM 1115 CZ PHE A 74 -9.065 -9.508 -8.869 1.00 20.21 C ATOM 0 H PHE A 74 -6.165 -5.955 -6.042 1.00 42.44 H new ATOM 0 HA PHE A 74 -7.795 -5.099 -7.295 1.00 65.23 H new ATOM 0 HB2 PHE A 74 -9.659 -6.407 -5.319 1.00 3.41 H new ATOM 0 HB3 PHE A 74 -10.221 -5.455 -6.679 1.00 3.41 H new ATOM 0 HD1 PHE A 74 -8.473 -8.546 -5.696 1.00 33.51 H new ATOM 0 HD2 PHE A 74 -10.062 -6.291 -8.941 1.00 73.42 H new ATOM 0 HE1 PHE A 74 -8.284 -10.513 -7.152 1.00 23.04 H new ATOM 0 HE2 PHE A 74 -9.873 -8.256 -10.401 1.00 3.13 H new ATOM 0 HZ PHE A 74 -8.980 -10.372 -9.511 1.00 20.21 H new ATOM 1124 N LEU A 75 -7.813 -2.846 -6.248 1.00 20.22 N ATOM 1125 CA LEU A 75 -7.783 -1.490 -5.705 1.00 41.12 C ATOM 1126 C LEU A 75 -9.172 -0.987 -5.314 1.00 14.12 C ATOM 1127 O LEU A 75 -10.066 -0.883 -6.156 1.00 4.10 O ATOM 1128 CB LEU A 75 -7.164 -0.549 -6.741 1.00 61.42 C ATOM 1129 CG LEU A 75 -6.772 0.831 -6.217 1.00 34.13 C ATOM 1130 CD1 LEU A 75 -5.643 0.717 -5.204 1.00 53.02 C ATOM 1131 CD2 LEU A 75 -6.356 1.732 -7.366 1.00 31.51 C ATOM 0 H LEU A 75 -7.347 -2.933 -7.151 1.00 20.22 H new ATOM 0 HA LEU A 75 -7.181 -1.508 -4.796 1.00 41.12 H new ATOM 0 HB2 LEU A 75 -6.277 -1.027 -7.158 1.00 61.42 H new ATOM 0 HB3 LEU A 75 -7.872 -0.421 -7.560 1.00 61.42 H new ATOM 0 HG LEU A 75 -7.638 1.270 -5.722 1.00 34.13 H new ATOM 0 HD11 LEU A 75 -5.377 1.710 -4.842 1.00 53.02 H new ATOM 0 HD12 LEU A 75 -5.967 0.100 -4.366 1.00 53.02 H new ATOM 0 HD13 LEU A 75 -4.774 0.259 -5.677 1.00 53.02 H new ATOM 0 HD21 LEU A 75 -6.079 2.712 -6.978 1.00 31.51 H new ATOM 0 HD22 LEU A 75 -5.503 1.292 -7.883 1.00 31.51 H new ATOM 0 HD23 LEU A 75 -7.187 1.839 -8.063 1.00 31.51 H new ATOM 1142 N ASP A 76 -9.334 -0.662 -4.033 1.00 53.44 N ATOM 1143 CA ASP A 76 -10.588 -0.115 -3.529 1.00 2.21 C ATOM 1144 C ASP A 76 -10.830 1.264 -4.138 1.00 11.14 C ATOM 1145 O ASP A 76 -11.972 1.671 -4.345 1.00 32.30 O ATOM 1146 CB ASP A 76 -10.556 -0.020 -1.999 1.00 74.34 C ATOM 1147 CG ASP A 76 -10.498 -1.378 -1.314 1.00 0.40 C ATOM 1148 OD1 ASP A 76 -9.398 -1.967 -1.243 1.00 30.44 O ATOM 1149 OD2 ASP A 76 -11.551 -1.850 -0.830 1.00 60.13 O ATOM 0 H ASP A 76 -8.608 -0.769 -3.324 1.00 53.44 H new ATOM 0 HA ASP A 76 -11.403 -0.780 -3.815 1.00 2.21 H new ATOM 0 HB2 ASP A 76 -9.691 0.569 -1.696 1.00 74.34 H new ATOM 0 HB3 ASP A 76 -11.442 0.515 -1.656 1.00 74.34 H new ATOM 1153 N SER A 77 -9.724 1.967 -4.410 1.00 41.22 N ATOM 1154 CA SER A 77 -9.728 3.244 -5.133 1.00 42.21 C ATOM 1155 C SER A 77 -10.276 4.403 -4.291 1.00 21.32 C ATOM 1156 O SER A 77 -9.602 5.422 -4.116 1.00 64.21 O ATOM 1157 CB SER A 77 -10.508 3.113 -6.445 1.00 1.41 C ATOM 1158 OG SER A 77 -9.998 2.049 -7.234 1.00 73.40 O ATOM 0 H SER A 77 -8.791 1.662 -4.131 1.00 41.22 H new ATOM 0 HA SER A 77 -8.689 3.485 -5.356 1.00 42.21 H new ATOM 0 HB2 SER A 77 -11.562 2.939 -6.230 1.00 1.41 H new ATOM 0 HB3 SER A 77 -10.447 4.047 -7.004 1.00 1.41 H new ATOM 0 HG SER A 77 -10.168 1.196 -6.782 1.00 73.40 H new ATOM 1163 N ASP A 78 -11.478 4.246 -3.760 1.00 72.44 N ATOM 1164 CA ASP A 78 -12.136 5.324 -3.030 1.00 63.32 C ATOM 1165 C ASP A 78 -11.520 5.521 -1.648 1.00 44.21 C ATOM 1166 O ASP A 78 -11.191 6.642 -1.265 1.00 1.40 O ATOM 1167 CB ASP A 78 -13.633 5.050 -2.899 1.00 22.32 C ATOM 1168 CG ASP A 78 -14.363 6.169 -2.179 1.00 24.21 C ATOM 1169 OD1 ASP A 78 -14.736 7.161 -2.838 1.00 32.11 O ATOM 1170 OD2 ASP A 78 -14.574 6.055 -0.954 1.00 3.21 O ATOM 0 H ASP A 78 -12.020 3.384 -3.819 1.00 72.44 H new ATOM 0 HA ASP A 78 -11.990 6.241 -3.601 1.00 63.32 H new ATOM 0 HB2 ASP A 78 -14.064 4.918 -3.891 1.00 22.32 H new ATOM 0 HB3 ASP A 78 -13.783 4.115 -2.359 1.00 22.32 H new ATOM 1174 N VAL A 79 -11.358 4.426 -0.912 1.00 22.22 N ATOM 1175 CA VAL A 79 -10.801 4.482 0.439 1.00 21.44 C ATOM 1176 C VAL A 79 -9.421 5.148 0.475 1.00 20.30 C ATOM 1177 O VAL A 79 -9.188 6.047 1.283 1.00 22.24 O ATOM 1178 CB VAL A 79 -10.739 3.076 1.085 1.00 3.30 C ATOM 1179 CG1 VAL A 79 -9.780 3.040 2.269 1.00 2.24 C ATOM 1180 CG2 VAL A 79 -12.132 2.668 1.530 1.00 65.20 C ATOM 0 H VAL A 79 -11.604 3.488 -1.227 1.00 22.22 H new ATOM 0 HA VAL A 79 -11.479 5.102 1.025 1.00 21.44 H new ATOM 0 HB VAL A 79 -10.364 2.374 0.340 1.00 3.30 H new ATOM 0 HG11 VAL A 79 -9.765 2.037 2.695 1.00 2.24 H new ATOM 0 HG12 VAL A 79 -8.778 3.307 1.934 1.00 2.24 H new ATOM 0 HG13 VAL A 79 -10.111 3.750 3.027 1.00 2.24 H new ATOM 0 HG21 VAL A 79 -12.093 1.678 1.985 1.00 65.20 H new ATOM 0 HG22 VAL A 79 -12.507 3.388 2.257 1.00 65.20 H new ATOM 0 HG23 VAL A 79 -12.797 2.644 0.667 1.00 65.20 H new ATOM 1190 N ILE A 80 -8.507 4.727 -0.397 1.00 2.42 N ATOM 1191 CA ILE A 80 -7.193 5.365 -0.454 1.00 72.34 C ATOM 1192 C ILE A 80 -7.324 6.823 -0.898 1.00 33.12 C ATOM 1193 O ILE A 80 -6.554 7.676 -0.471 1.00 71.14 O ATOM 1194 CB ILE A 80 -6.199 4.616 -1.375 1.00 45.24 C ATOM 1195 CG1 ILE A 80 -4.874 5.367 -1.472 1.00 30.43 C ATOM 1196 CG2 ILE A 80 -6.784 4.431 -2.748 1.00 72.30 C ATOM 1197 CD1 ILE A 80 -4.158 5.491 -0.156 1.00 3.41 C ATOM 0 H ILE A 80 -8.646 3.964 -1.060 1.00 2.42 H new ATOM 0 HA ILE A 80 -6.784 5.326 0.556 1.00 72.34 H new ATOM 0 HB ILE A 80 -6.012 3.636 -0.936 1.00 45.24 H new ATOM 0 HG12 ILE A 80 -4.226 4.854 -2.182 1.00 30.43 H new ATOM 0 HG13 ILE A 80 -5.059 6.364 -1.872 1.00 30.43 H new ATOM 0 HG21 ILE A 80 -6.070 3.903 -3.380 1.00 72.30 H new ATOM 0 HG22 ILE A 80 -7.704 3.851 -2.676 1.00 72.30 H new ATOM 0 HG23 ILE A 80 -7.003 5.405 -3.185 1.00 72.30 H new ATOM 0 HD11 ILE A 80 -3.225 6.035 -0.299 1.00 3.41 H new ATOM 0 HD12 ILE A 80 -4.788 6.030 0.551 1.00 3.41 H new ATOM 0 HD13 ILE A 80 -3.942 4.497 0.236 1.00 3.41 H new ATOM 1208 N GLY A 81 -8.326 7.111 -1.722 1.00 73.55 N ATOM 1209 CA GLY A 81 -8.564 8.477 -2.156 1.00 1.33 C ATOM 1210 C GLY A 81 -8.887 9.395 -0.993 1.00 52.23 C ATOM 1211 O GLY A 81 -8.465 10.554 -0.970 1.00 45.30 O ATOM 0 H GLY A 81 -8.978 6.423 -2.098 1.00 73.55 H new ATOM 0 HA2 GLY A 81 -7.683 8.850 -2.678 1.00 1.33 H new ATOM 0 HA3 GLY A 81 -9.388 8.492 -2.869 1.00 1.33 H new ATOM 1215 N ALA A 82 -9.626 8.863 -0.022 1.00 21.21 N ATOM 1216 CA ALA A 82 -9.980 9.600 1.189 1.00 14.32 C ATOM 1217 C ALA A 82 -8.742 9.872 2.048 1.00 33.44 C ATOM 1218 O ALA A 82 -8.654 10.884 2.744 1.00 32.42 O ATOM 1219 CB ALA A 82 -11.022 8.819 1.984 1.00 22.15 C ATOM 0 H ALA A 82 -9.995 7.913 -0.052 1.00 21.21 H new ATOM 0 HA ALA A 82 -10.402 10.562 0.898 1.00 14.32 H new ATOM 0 HB1 ALA A 82 -11.282 9.373 2.886 1.00 22.15 H new ATOM 0 HB2 ALA A 82 -11.915 8.678 1.374 1.00 22.15 H new ATOM 0 HB3 ALA A 82 -10.615 7.847 2.261 1.00 22.15 H new ATOM 1225 N TYR A 83 -7.783 8.962 1.972 1.00 3.24 N ATOM 1226 CA TYR A 83 -6.546 9.061 2.735 1.00 44.21 C ATOM 1227 C TYR A 83 -5.530 9.940 2.009 1.00 53.02 C ATOM 1228 O TYR A 83 -4.783 10.698 2.632 1.00 51.24 O ATOM 1229 CB TYR A 83 -5.983 7.652 2.952 1.00 32.42 C ATOM 1230 CG TYR A 83 -4.607 7.597 3.578 1.00 30.14 C ATOM 1231 CD1 TYR A 83 -4.432 7.759 4.946 1.00 20.33 C ATOM 1232 CD2 TYR A 83 -3.483 7.352 2.798 1.00 61.31 C ATOM 1233 CE1 TYR A 83 -3.178 7.677 5.517 1.00 60.33 C ATOM 1234 CE2 TYR A 83 -2.225 7.272 3.361 1.00 33.44 C ATOM 1235 CZ TYR A 83 -2.077 7.435 4.723 1.00 4.24 C ATOM 1236 OH TYR A 83 -0.826 7.343 5.295 1.00 4.41 O ATOM 0 H TYR A 83 -7.839 8.133 1.380 1.00 3.24 H new ATOM 0 HA TYR A 83 -6.752 9.524 3.700 1.00 44.21 H new ATOM 0 HB2 TYR A 83 -6.675 7.095 3.584 1.00 32.42 H new ATOM 0 HB3 TYR A 83 -5.948 7.140 1.990 1.00 32.42 H new ATOM 0 HD1 TYR A 83 -5.290 7.952 5.573 1.00 20.33 H new ATOM 0 HD2 TYR A 83 -3.596 7.222 1.732 1.00 61.31 H new ATOM 0 HE1 TYR A 83 -3.059 7.802 6.583 1.00 60.33 H new ATOM 0 HE2 TYR A 83 -1.362 7.083 2.739 1.00 33.44 H new ATOM 0 HH TYR A 83 -0.207 7.940 4.825 1.00 4.41 H new ATOM 1245 N LEU A 84 -5.526 9.846 0.689 1.00 23.42 N ATOM 1246 CA LEU A 84 -4.566 10.558 -0.145 1.00 21.23 C ATOM 1247 C LEU A 84 -5.058 11.956 -0.506 1.00 42.22 C ATOM 1248 O LEU A 84 -4.505 12.611 -1.389 1.00 21.34 O ATOM 1249 CB LEU A 84 -4.279 9.745 -1.414 1.00 74.50 C ATOM 1250 CG LEU A 84 -2.860 9.177 -1.508 1.00 4.05 C ATOM 1251 CD1 LEU A 84 -1.860 10.281 -1.805 1.00 74.24 C ATOM 1252 CD2 LEU A 84 -2.479 8.467 -0.224 1.00 32.11 C ATOM 0 H LEU A 84 -6.188 9.274 0.164 1.00 23.42 H new ATOM 0 HA LEU A 84 -3.645 10.676 0.425 1.00 21.23 H new ATOM 0 HB2 LEU A 84 -4.989 8.920 -1.468 1.00 74.50 H new ATOM 0 HB3 LEU A 84 -4.460 10.378 -2.282 1.00 74.50 H new ATOM 0 HG LEU A 84 -2.841 8.456 -2.325 1.00 4.05 H new ATOM 0 HD11 LEU A 84 -0.858 9.857 -1.868 1.00 74.24 H new ATOM 0 HD12 LEU A 84 -2.113 10.756 -2.753 1.00 74.24 H new ATOM 0 HD13 LEU A 84 -1.890 11.024 -1.008 1.00 74.24 H new ATOM 0 HD21 LEU A 84 -1.467 8.071 -0.313 1.00 32.11 H new ATOM 0 HD22 LEU A 84 -2.521 9.171 0.607 1.00 32.11 H new ATOM 0 HD23 LEU A 84 -3.174 7.647 -0.041 1.00 32.11 H new ATOM 1263 N SER A 85 -6.093 12.414 0.184 1.00 24.25 N ATOM 1264 CA SER A 85 -6.594 13.766 -0.009 1.00 71.32 C ATOM 1265 C SER A 85 -5.598 14.782 0.554 1.00 54.42 C ATOM 1266 O SER A 85 -4.560 14.403 1.092 1.00 0.00 O ATOM 1267 CB SER A 85 -7.964 13.927 0.655 1.00 72.44 C ATOM 1268 OG SER A 85 -8.908 13.016 0.112 1.00 74.12 O ATOM 0 H SER A 85 -6.601 11.870 0.881 1.00 24.25 H new ATOM 0 HA SER A 85 -6.709 13.949 -1.077 1.00 71.32 H new ATOM 0 HB2 SER A 85 -7.872 13.763 1.729 1.00 72.44 H new ATOM 0 HB3 SER A 85 -8.320 14.948 0.518 1.00 72.44 H new ATOM 0 HG SER A 85 -8.444 12.212 -0.202 1.00 74.12 H new TER 1273 SER A 85