USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 832 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 MET CE :methyl -177:sc= -0.658 (180deg=-0.683) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.513 K(o=-1.2,f=-3.1) 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 3 LYS NZ :NH3+ -177:sc= 0.801 (180deg=0.539) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0127 K(o=-0.013,f=-6.1!) USER MOD Single : A 9 ASN : amide:sc=-0.00791 K(o=-0.0079,f=-0.87) USER MOD Single : A 11 THR OG1 : rot 23:sc= 0.171 USER MOD Single : A 14 MET CE :methyl 156:sc= -0.536 (180deg=-1.99!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 21 SER OG : rot 81:sc= 1.04 USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 1.13 (180deg=1.01) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 1.21 (180deg=0.981) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0836 USER MOD Single : A 32 ASN : amide:sc= -3.31! C(o=-3.3!,f=-6.8!) USER MOD Single : A 34 THR OG1 : rot -144:sc= -0.848 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -48:sc= 1.48 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 46 TYR OH : rot 130:sc= 0.936 USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0.948 (180deg=0.831) USER MOD Single : A 49 THR OG1 : rot -120:sc= 0.616 USER MOD Single : A 51 ASN : amide:sc= -0.966 X(o=-0.97,f=-0.5) USER MOD Single : A 66 THR OG1 : rot -7:sc= 0.878 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0.02) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.166 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -43:sc= 0.823 USER MOD Single : A 73 THR OG1 : rot 137:sc= 0.345 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 97 SER OG : rot -47:sc= 0.829 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 101 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-7.1!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 103 HIS : no HE2:sc= 0.844 K(o=0.84,f=-5.2!) USER MOD Single : A 104 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.27) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.905 5.868 4.649 1.00 0.00 N ATOM 2 CA MET A 1 9.979 6.557 3.724 1.00 0.00 C ATOM 3 C MET A 1 9.261 5.568 2.823 1.00 0.00 C ATOM 4 O MET A 1 8.081 5.285 3.028 1.00 0.00 O ATOM 5 CB MET A 1 10.721 7.586 2.864 1.00 0.00 C ATOM 6 CG MET A 1 11.015 8.893 3.578 1.00 0.00 C ATOM 7 SD MET A 1 11.879 10.074 2.522 1.00 0.00 S ATOM 8 CE MET A 1 11.939 11.508 3.598 1.00 0.00 C ATOM 0 H1 MET A 1 11.380 6.570 5.251 1.00 0.00 H new ATOM 0 H2 MET A 1 10.370 5.205 5.246 1.00 0.00 H new ATOM 0 H3 MET A 1 11.617 5.343 4.101 1.00 0.00 H new ATOM 0 HA MET A 1 9.241 7.074 4.337 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.661 7.150 2.525 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.127 7.796 1.974 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.080 9.334 3.922 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.618 8.693 4.464 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.445 12.326 3.086 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.925 11.813 3.855 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.484 11.257 4.508 1.00 0.00 H new ATOM 20 N VAL A 2 9.984 5.037 1.835 1.00 0.00 N ATOM 21 CA VAL A 2 9.386 4.188 0.803 1.00 0.00 C ATOM 22 C VAL A 2 8.312 4.994 0.074 1.00 0.00 C ATOM 23 O VAL A 2 7.224 4.509 -0.227 1.00 0.00 O ATOM 24 CB VAL A 2 8.782 2.885 1.392 1.00 0.00 C ATOM 25 CG1 VAL A 2 8.404 1.903 0.293 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.752 2.235 2.363 1.00 0.00 C ATOM 0 H VAL A 2 10.988 5.181 1.728 1.00 0.00 H new ATOM 0 HA VAL A 2 10.168 3.881 0.108 1.00 0.00 H new ATOM 0 HB VAL A 2 7.874 3.158 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.984 1.001 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.665 2.360 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.292 1.643 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.309 1.323 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.678 1.990 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.966 2.924 3.180 1.00 0.00 H new ATOM 36 N LYS A 3 8.643 6.248 -0.202 1.00 0.00 N ATOM 37 CA LYS A 3 7.703 7.164 -0.811 1.00 0.00 C ATOM 38 C LYS A 3 7.693 6.979 -2.322 1.00 0.00 C ATOM 39 O LYS A 3 6.686 7.233 -2.986 1.00 0.00 O ATOM 40 CB LYS A 3 8.058 8.606 -0.452 1.00 0.00 C ATOM 41 CG LYS A 3 6.949 9.588 -0.771 1.00 0.00 C ATOM 42 CD LYS A 3 7.346 11.018 -0.459 1.00 0.00 C ATOM 43 CE LYS A 3 6.174 11.957 -0.659 1.00 0.00 C ATOM 44 NZ LYS A 3 5.615 11.850 -2.033 1.00 0.00 N ATOM 0 H LYS A 3 9.561 6.650 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 3 6.706 6.948 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.291 8.663 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.959 8.897 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.686 9.507 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.058 9.327 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.701 11.086 0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.173 11.319 -1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.396 11.729 0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.493 12.983 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.848 12.542 -2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.364 12.042 -2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.242 10.891 -2.182 1.00 0.00 H new ATOM 58 N THR A 4 8.824 6.549 -2.863 1.00 0.00 N ATOM 59 CA THR A 4 8.890 6.168 -4.260 1.00 0.00 C ATOM 60 C THR A 4 8.242 4.800 -4.424 1.00 0.00 C ATOM 61 O THR A 4 8.919 3.773 -4.420 1.00 0.00 O ATOM 62 CB THR A 4 10.343 6.119 -4.779 1.00 0.00 C ATOM 63 OG1 THR A 4 11.125 7.138 -4.138 1.00 0.00 O ATOM 64 CG2 THR A 4 10.383 6.331 -6.284 1.00 0.00 C ATOM 0 H THR A 4 9.704 6.457 -2.355 1.00 0.00 H new ATOM 0 HA THR A 4 8.361 6.920 -4.845 1.00 0.00 H new ATOM 0 HB THR A 4 10.756 5.137 -4.548 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.046 7.101 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.416 6.293 -6.629 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.806 5.548 -6.777 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.955 7.304 -6.526 1.00 0.00 H new ATOM 72 N LEU A 5 6.923 4.794 -4.513 1.00 0.00 N ATOM 73 CA LEU A 5 6.165 3.561 -4.538 1.00 0.00 C ATOM 74 C LEU A 5 5.043 3.644 -5.563 1.00 0.00 C ATOM 75 O LEU A 5 4.349 4.661 -5.659 1.00 0.00 O ATOM 76 CB LEU A 5 5.579 3.287 -3.149 1.00 0.00 C ATOM 77 CG LEU A 5 4.820 1.969 -3.012 1.00 0.00 C ATOM 78 CD1 LEU A 5 5.786 0.801 -3.074 1.00 0.00 C ATOM 79 CD2 LEU A 5 4.020 1.944 -1.719 1.00 0.00 C ATOM 0 H LEU A 5 6.354 5.638 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 5 6.833 2.746 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.390 3.298 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.906 4.104 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 5 4.119 1.881 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.234 -0.134 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.311 0.813 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.509 0.883 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.486 0.997 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.696 2.052 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.304 2.765 -1.719 1.00 0.00 H new ATOM 91 N ARG A 6 4.873 2.585 -6.337 1.00 0.00 N ATOM 92 CA ARG A 6 3.785 2.523 -7.294 1.00 0.00 C ATOM 93 C ARG A 6 3.074 1.177 -7.207 1.00 0.00 C ATOM 94 O ARG A 6 3.703 0.140 -6.980 1.00 0.00 O ATOM 95 CB ARG A 6 4.288 2.778 -8.723 1.00 0.00 C ATOM 96 CG ARG A 6 5.221 1.708 -9.265 1.00 0.00 C ATOM 97 CD ARG A 6 5.602 1.987 -10.711 1.00 0.00 C ATOM 98 NE ARG A 6 6.333 0.874 -11.314 1.00 0.00 N ATOM 99 CZ ARG A 6 6.897 0.916 -12.522 1.00 0.00 C ATOM 100 NH1 ARG A 6 6.795 2.006 -13.277 1.00 0.00 N ATOM 101 NH2 ARG A 6 7.544 -0.146 -12.986 1.00 0.00 N ATOM 0 H ARG A 6 5.473 1.760 -6.321 1.00 0.00 H new ATOM 0 HA ARG A 6 3.072 3.309 -7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.428 2.862 -9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.804 3.738 -8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.121 1.663 -8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.739 0.733 -9.195 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.700 2.184 -11.291 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.213 2.888 -10.756 1.00 0.00 H new ATOM 0 HE ARG A 6 6.417 0.011 -10.777 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.282 2.818 -12.933 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.229 2.030 -14.200 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.609 -0.991 -12.419 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.976 -0.117 -13.909 1.00 0.00 H new ATOM 115 N LEU A 7 1.761 1.208 -7.362 1.00 0.00 N ATOM 116 CA LEU A 7 0.951 0.002 -7.352 1.00 0.00 C ATOM 117 C LEU A 7 0.303 -0.177 -8.712 1.00 0.00 C ATOM 118 O LEU A 7 -0.485 0.665 -9.138 1.00 0.00 O ATOM 119 CB LEU A 7 -0.127 0.082 -6.269 1.00 0.00 C ATOM 120 CG LEU A 7 0.388 0.246 -4.836 1.00 0.00 C ATOM 121 CD1 LEU A 7 -0.773 0.308 -3.858 1.00 0.00 C ATOM 122 CD2 LEU A 7 1.334 -0.889 -4.474 1.00 0.00 C ATOM 0 H LEU A 7 1.228 2.067 -7.498 1.00 0.00 H new ATOM 0 HA LEU A 7 1.592 -0.852 -7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.786 0.920 -6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.733 -0.822 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 7 0.940 1.184 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.389 0.425 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.411 1.157 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.353 -0.613 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.689 -0.755 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.808 -1.840 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.184 -0.886 -5.157 1.00 0.00 H new ATOM 134 N ASN A 8 0.660 -1.256 -9.398 1.00 0.00 N ATOM 135 CA ASN A 8 0.147 -1.532 -10.741 1.00 0.00 C ATOM 136 C ASN A 8 0.470 -0.375 -11.685 1.00 0.00 C ATOM 137 O ASN A 8 -0.385 0.077 -12.449 1.00 0.00 O ATOM 138 CB ASN A 8 -1.365 -1.794 -10.711 1.00 0.00 C ATOM 139 CG ASN A 8 -1.728 -3.123 -10.066 1.00 0.00 C ATOM 140 OD1 ASN A 8 -1.037 -3.615 -9.171 1.00 0.00 O ATOM 141 ND2 ASN A 8 -2.814 -3.722 -10.528 1.00 0.00 N ATOM 0 H ASN A 8 1.308 -1.961 -9.046 1.00 0.00 H new ATOM 0 HA ASN A 8 0.638 -2.432 -11.111 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.857 -0.987 -10.168 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.751 -1.774 -11.730 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.104 -4.621 -10.143 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.361 -3.285 -11.269 1.00 0.00 H new ATOM 148 N ASN A 9 1.718 0.103 -11.599 1.00 0.00 N ATOM 149 CA ASN A 9 2.233 1.186 -12.450 1.00 0.00 C ATOM 150 C ASN A 9 1.717 2.559 -12.012 1.00 0.00 C ATOM 151 O ASN A 9 2.186 3.588 -12.501 1.00 0.00 O ATOM 152 CB ASN A 9 1.900 0.949 -13.930 1.00 0.00 C ATOM 153 CG ASN A 9 2.727 -0.159 -14.552 1.00 0.00 C ATOM 154 OD1 ASN A 9 3.897 -0.344 -14.217 1.00 0.00 O ATOM 155 ND2 ASN A 9 2.119 -0.913 -15.455 1.00 0.00 N ATOM 0 H ASN A 9 2.404 -0.252 -10.933 1.00 0.00 H new ATOM 0 HA ASN A 9 3.316 1.179 -12.331 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.842 0.702 -14.024 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.063 1.872 -14.486 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.622 -1.680 -15.901 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.148 -0.726 -15.705 1.00 0.00 H new ATOM 162 N VAL A 10 0.778 2.580 -11.077 1.00 0.00 N ATOM 163 CA VAL A 10 0.208 3.829 -10.600 1.00 0.00 C ATOM 164 C VAL A 10 0.954 4.305 -9.367 1.00 0.00 C ATOM 165 O VAL A 10 0.950 3.643 -8.329 1.00 0.00 O ATOM 166 CB VAL A 10 -1.293 3.686 -10.275 1.00 0.00 C ATOM 167 CG1 VAL A 10 -1.858 4.994 -9.737 1.00 0.00 C ATOM 168 CG2 VAL A 10 -2.055 3.240 -11.511 1.00 0.00 C ATOM 0 H VAL A 10 0.395 1.745 -10.634 1.00 0.00 H new ATOM 0 HA VAL A 10 0.311 4.563 -11.399 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.409 2.927 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.918 4.869 -9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.327 5.273 -8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.734 5.778 -10.484 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.114 3.142 -11.270 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.930 3.979 -12.302 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.669 2.278 -11.849 1.00 0.00 H new ATOM 178 N THR A 11 1.611 5.441 -9.496 1.00 0.00 N ATOM 179 CA THR A 11 2.399 5.994 -8.412 1.00 0.00 C ATOM 180 C THR A 11 1.494 6.485 -7.288 1.00 0.00 C ATOM 181 O THR A 11 0.552 7.244 -7.528 1.00 0.00 O ATOM 182 CB THR A 11 3.282 7.146 -8.927 1.00 0.00 C ATOM 183 OG1 THR A 11 2.461 8.192 -9.467 1.00 0.00 O ATOM 184 CG2 THR A 11 4.229 6.642 -10.005 1.00 0.00 C ATOM 0 H THR A 11 1.614 6.003 -10.347 1.00 0.00 H new ATOM 0 HA THR A 11 3.043 5.208 -8.018 1.00 0.00 H new ATOM 0 HB THR A 11 3.864 7.536 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.560 8.131 -9.086 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.847 7.466 -10.360 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.868 5.861 -9.592 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.652 6.237 -10.836 1.00 0.00 H new ATOM 192 N LEU A 12 1.781 6.056 -6.068 1.00 0.00 N ATOM 193 CA LEU A 12 0.907 6.337 -4.940 1.00 0.00 C ATOM 194 C LEU A 12 1.539 7.350 -3.991 1.00 0.00 C ATOM 195 O LEU A 12 2.762 7.524 -3.966 1.00 0.00 O ATOM 196 CB LEU A 12 0.592 5.037 -4.189 1.00 0.00 C ATOM 197 CG LEU A 12 -0.474 5.152 -3.096 1.00 0.00 C ATOM 198 CD1 LEU A 12 -1.816 5.539 -3.697 1.00 0.00 C ATOM 199 CD2 LEU A 12 -0.589 3.845 -2.329 1.00 0.00 C ATOM 0 H LEU A 12 2.612 5.512 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.018 6.767 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.267 4.289 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.512 4.666 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.172 5.935 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.561 5.616 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.724 6.500 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.126 4.779 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.351 3.943 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.868 3.044 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.369 3.609 -1.866 1.00 0.00 H new ATOM 211 N GLU A 13 0.690 8.031 -3.237 1.00 0.00 N ATOM 212 CA GLU A 13 1.129 8.942 -2.195 1.00 0.00 C ATOM 213 C GLU A 13 0.594 8.450 -0.855 1.00 0.00 C ATOM 214 O GLU A 13 -0.608 8.257 -0.695 1.00 0.00 O ATOM 215 CB GLU A 13 0.625 10.362 -2.483 1.00 0.00 C ATOM 216 CG GLU A 13 1.033 11.388 -1.436 1.00 0.00 C ATOM 217 CD GLU A 13 2.533 11.561 -1.334 1.00 0.00 C ATOM 218 OE1 GLU A 13 3.178 10.779 -0.607 1.00 0.00 O ATOM 219 OE2 GLU A 13 3.075 12.485 -1.977 1.00 0.00 O ATOM 0 H GLU A 13 -0.324 7.967 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 13 2.218 8.969 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.002 10.680 -3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.463 10.343 -2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.577 12.348 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.640 11.085 -0.465 1.00 0.00 H new ATOM 226 N MET A 14 1.485 8.235 0.097 1.00 0.00 N ATOM 227 CA MET A 14 1.100 7.697 1.389 1.00 0.00 C ATOM 228 C MET A 14 1.606 8.620 2.470 1.00 0.00 C ATOM 229 O MET A 14 2.813 8.762 2.660 1.00 0.00 O ATOM 230 CB MET A 14 1.675 6.296 1.638 1.00 0.00 C ATOM 231 CG MET A 14 1.436 5.286 0.523 1.00 0.00 C ATOM 232 SD MET A 14 2.461 5.587 -0.929 1.00 0.00 S ATOM 233 CE MET A 14 4.071 5.792 -0.171 1.00 0.00 C ATOM 0 H MET A 14 2.482 8.425 -0.001 1.00 0.00 H new ATOM 0 HA MET A 14 0.013 7.619 1.402 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.749 6.386 1.800 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.245 5.903 2.560 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.635 4.283 0.900 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.386 5.315 0.232 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.848 5.562 -0.900 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.185 6.822 0.168 1.00 0.00 H new ATOM 0 HE3 MET A 14 4.161 5.117 0.680 1.00 0.00 H new ATOM 243 N ALA A 15 0.691 9.251 3.163 1.00 0.00 N ATOM 244 CA ALA A 15 1.045 10.180 4.223 1.00 0.00 C ATOM 245 C ALA A 15 1.677 9.438 5.390 1.00 0.00 C ATOM 246 O ALA A 15 2.724 9.829 5.904 1.00 0.00 O ATOM 247 CB ALA A 15 -0.185 10.940 4.667 1.00 0.00 C ATOM 0 H ALA A 15 -0.312 9.141 3.016 1.00 0.00 H new ATOM 0 HA ALA A 15 1.777 10.893 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.084 11.636 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.594 11.495 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.933 10.238 5.037 1.00 0.00 H new ATOM 253 N ALA A 16 1.042 8.351 5.791 1.00 0.00 N ATOM 254 CA ALA A 16 1.574 7.513 6.844 1.00 0.00 C ATOM 255 C ALA A 16 1.710 6.085 6.344 1.00 0.00 C ATOM 256 O ALA A 16 0.807 5.263 6.507 1.00 0.00 O ATOM 257 CB ALA A 16 0.700 7.575 8.087 1.00 0.00 C ATOM 0 H ALA A 16 0.156 8.030 5.401 1.00 0.00 H new ATOM 0 HA ALA A 16 2.561 7.884 7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.124 6.936 8.862 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.654 8.602 8.449 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.305 7.231 7.843 1.00 0.00 H new ATOM 263 N TYR A 17 2.814 5.817 5.673 1.00 0.00 N ATOM 264 CA TYR A 17 3.097 4.480 5.184 1.00 0.00 C ATOM 265 C TYR A 17 3.610 3.616 6.328 1.00 0.00 C ATOM 266 O TYR A 17 4.800 3.613 6.637 1.00 0.00 O ATOM 267 CB TYR A 17 4.121 4.531 4.043 1.00 0.00 C ATOM 268 CG TYR A 17 4.386 3.191 3.390 1.00 0.00 C ATOM 269 CD1 TYR A 17 3.473 2.642 2.501 1.00 0.00 C ATOM 270 CD2 TYR A 17 5.552 2.481 3.657 1.00 0.00 C ATOM 271 CE1 TYR A 17 3.710 1.422 1.897 1.00 0.00 C ATOM 272 CE2 TYR A 17 5.797 1.261 3.057 1.00 0.00 C ATOM 273 CZ TYR A 17 4.873 0.736 2.179 1.00 0.00 C ATOM 274 OH TYR A 17 5.114 -0.478 1.579 1.00 0.00 O ATOM 0 H TYR A 17 3.531 6.508 5.453 1.00 0.00 H new ATOM 0 HA TYR A 17 2.179 4.041 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.769 5.230 3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.060 4.927 4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.562 3.177 2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.277 2.890 4.344 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.989 1.008 1.208 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.707 0.722 3.275 1.00 0.00 H new ATOM 0 HH TYR A 17 5.977 -0.828 1.884 1.00 0.00 H new ATOM 284 N GLN A 18 2.697 2.917 6.986 1.00 0.00 N ATOM 285 CA GLN A 18 3.061 2.077 8.106 1.00 0.00 C ATOM 286 C GLN A 18 3.245 0.645 7.633 1.00 0.00 C ATOM 287 O GLN A 18 2.439 0.131 6.858 1.00 0.00 O ATOM 288 CB GLN A 18 1.990 2.155 9.194 1.00 0.00 C ATOM 289 CG GLN A 18 2.340 1.378 10.448 1.00 0.00 C ATOM 290 CD GLN A 18 1.286 1.497 11.532 1.00 0.00 C ATOM 291 OE1 GLN A 18 0.094 1.638 11.256 1.00 0.00 O ATOM 292 NE2 GLN A 18 1.724 1.456 12.776 1.00 0.00 N ATOM 0 H GLN A 18 1.702 2.918 6.761 1.00 0.00 H new ATOM 0 HA GLN A 18 4.002 2.429 8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.828 3.200 9.458 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.049 1.777 8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.473 0.327 10.192 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.294 1.735 10.836 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.720 1.338 12.962 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.067 1.542 13.551 1.00 0.00 H new ATOM 301 N GLU A 19 4.310 0.006 8.071 1.00 0.00 N ATOM 302 CA GLU A 19 4.573 -1.357 7.663 1.00 0.00 C ATOM 303 C GLU A 19 4.850 -2.247 8.860 1.00 0.00 C ATOM 304 O GLU A 19 5.091 -1.768 9.967 1.00 0.00 O ATOM 305 CB GLU A 19 5.736 -1.413 6.656 1.00 0.00 C ATOM 306 CG GLU A 19 7.013 -0.701 7.101 1.00 0.00 C ATOM 307 CD GLU A 19 7.740 -1.400 8.235 1.00 0.00 C ATOM 308 OE1 GLU A 19 8.325 -2.480 8.003 1.00 0.00 O ATOM 309 OE2 GLU A 19 7.740 -0.865 9.364 1.00 0.00 O ATOM 0 H GLU A 19 5.002 0.405 8.705 1.00 0.00 H new ATOM 0 HA GLU A 19 3.678 -1.735 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.972 -2.458 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.403 -0.975 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.686 -0.616 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.763 0.313 7.413 1.00 0.00 H new ATOM 316 N GLU A 20 4.765 -3.536 8.616 1.00 0.00 N ATOM 317 CA GLU A 20 5.173 -4.561 9.553 1.00 0.00 C ATOM 318 C GLU A 20 5.911 -5.614 8.758 1.00 0.00 C ATOM 319 O GLU A 20 5.353 -6.184 7.828 1.00 0.00 O ATOM 320 CB GLU A 20 3.957 -5.176 10.251 1.00 0.00 C ATOM 321 CG GLU A 20 3.268 -4.245 11.237 1.00 0.00 C ATOM 322 CD GLU A 20 4.107 -3.967 12.471 1.00 0.00 C ATOM 323 OE1 GLU A 20 4.126 -4.824 13.379 1.00 0.00 O ATOM 324 OE2 GLU A 20 4.731 -2.891 12.550 1.00 0.00 O ATOM 0 H GLU A 20 4.402 -3.910 7.739 1.00 0.00 H new ATOM 0 HA GLU A 20 5.810 -4.138 10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.235 -5.485 9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.271 -6.077 10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.039 -3.303 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.318 -4.684 11.541 1.00 0.00 H new ATOM 331 N SER A 21 7.171 -5.827 9.070 1.00 0.00 N ATOM 332 CA SER A 21 7.968 -6.763 8.306 1.00 0.00 C ATOM 333 C SER A 21 8.250 -8.043 9.083 1.00 0.00 C ATOM 334 O SER A 21 8.579 -9.068 8.489 1.00 0.00 O ATOM 335 CB SER A 21 9.277 -6.098 7.876 1.00 0.00 C ATOM 336 OG SER A 21 9.027 -4.985 7.031 1.00 0.00 O ATOM 0 H SER A 21 7.662 -5.371 9.839 1.00 0.00 H new ATOM 0 HA SER A 21 7.396 -7.045 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.831 -5.774 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.903 -6.822 7.355 1.00 0.00 H new ATOM 0 HG SER A 21 8.795 -4.205 7.577 1.00 0.00 H new ATOM 342 N GLU A 22 8.102 -8.008 10.404 1.00 0.00 N ATOM 343 CA GLU A 22 8.534 -9.154 11.207 1.00 0.00 C ATOM 344 C GLU A 22 7.426 -10.067 11.659 1.00 0.00 C ATOM 345 O GLU A 22 7.581 -11.284 11.562 1.00 0.00 O ATOM 346 CB GLU A 22 9.418 -8.744 12.382 1.00 0.00 C ATOM 347 CG GLU A 22 10.761 -8.206 11.942 1.00 0.00 C ATOM 348 CD GLU A 22 11.825 -8.337 13.012 1.00 0.00 C ATOM 349 OE1 GLU A 22 11.834 -7.521 13.955 1.00 0.00 O ATOM 350 OE2 GLU A 22 12.660 -9.261 12.914 1.00 0.00 O ATOM 0 H GLU A 22 7.702 -7.230 10.929 1.00 0.00 H new ATOM 0 HA GLU A 22 9.134 -9.744 10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.903 -7.986 12.972 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.572 -9.604 13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.085 -8.738 11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.655 -7.156 11.668 1.00 0.00 H new ATOM 357 N PRO A 23 6.315 -9.552 12.176 1.00 0.00 N ATOM 358 CA PRO A 23 5.163 -10.400 12.415 1.00 0.00 C ATOM 359 C PRO A 23 4.810 -11.171 11.150 1.00 0.00 C ATOM 360 O PRO A 23 4.444 -12.348 11.183 1.00 0.00 O ATOM 361 CB PRO A 23 4.067 -9.398 12.740 1.00 0.00 C ATOM 362 CG PRO A 23 4.782 -8.245 13.344 1.00 0.00 C ATOM 363 CD PRO A 23 6.088 -8.159 12.610 1.00 0.00 C ATOM 0 HA PRO A 23 5.322 -11.140 13.199 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.522 -9.101 11.844 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.337 -9.819 13.432 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.208 -7.325 13.234 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.940 -8.396 14.412 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.031 -7.476 11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.891 -7.801 13.254 1.00 0.00 H new ATOM 371 N LYS A 24 4.938 -10.448 10.046 1.00 0.00 N ATOM 372 CA LYS A 24 4.668 -10.932 8.704 1.00 0.00 C ATOM 373 C LYS A 24 4.858 -9.741 7.788 1.00 0.00 C ATOM 374 O LYS A 24 4.607 -8.625 8.224 1.00 0.00 O ATOM 375 CB LYS A 24 3.244 -11.486 8.568 1.00 0.00 C ATOM 376 CG LYS A 24 3.050 -12.376 7.348 1.00 0.00 C ATOM 377 CD LYS A 24 1.645 -12.945 7.286 1.00 0.00 C ATOM 378 CE LYS A 24 1.584 -14.226 6.456 1.00 0.00 C ATOM 379 NZ LYS A 24 2.032 -14.036 5.046 1.00 0.00 N ATOM 0 H LYS A 24 5.243 -9.475 10.063 1.00 0.00 H new ATOM 0 HA LYS A 24 5.337 -11.755 8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.997 -12.054 9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.543 -10.653 8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.250 -11.802 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.772 -13.192 7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.292 -13.150 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.972 -12.203 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.205 -14.987 6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.561 -14.604 6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.032 -14.953 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.384 -13.383 4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.993 -13.639 5.038 1.00 0.00 H new ATOM 393 N ARG A 25 5.293 -9.940 6.555 1.00 0.00 N ATOM 394 CA ARG A 25 5.459 -8.807 5.645 1.00 0.00 C ATOM 395 C ARG A 25 4.102 -8.235 5.228 1.00 0.00 C ATOM 396 O ARG A 25 3.497 -8.679 4.260 1.00 0.00 O ATOM 397 CB ARG A 25 6.276 -9.194 4.410 1.00 0.00 C ATOM 398 CG ARG A 25 7.755 -9.392 4.696 1.00 0.00 C ATOM 399 CD ARG A 25 8.545 -9.642 3.420 1.00 0.00 C ATOM 400 NE ARG A 25 8.159 -10.896 2.773 1.00 0.00 N ATOM 401 CZ ARG A 25 8.779 -11.415 1.715 1.00 0.00 C ATOM 402 NH1 ARG A 25 9.830 -10.801 1.177 1.00 0.00 N ATOM 403 NH2 ARG A 25 8.342 -12.556 1.195 1.00 0.00 N ATOM 0 H ARG A 25 5.534 -10.850 6.163 1.00 0.00 H new ATOM 0 HA ARG A 25 6.009 -8.036 6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.870 -10.114 3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.162 -8.419 3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.149 -8.511 5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.885 -10.234 5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.388 -8.814 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.610 -9.666 3.652 1.00 0.00 H new ATOM 0 HE ARG A 25 7.363 -11.406 3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.168 -9.925 1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.298 -11.207 0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.537 -13.028 1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.811 -12.960 0.385 1.00 0.00 H new ATOM 417 N LYS A 26 3.619 -7.262 5.983 1.00 0.00 N ATOM 418 CA LYS A 26 2.327 -6.649 5.719 1.00 0.00 C ATOM 419 C LYS A 26 2.450 -5.132 5.736 1.00 0.00 C ATOM 420 O LYS A 26 3.163 -4.565 6.565 1.00 0.00 O ATOM 421 CB LYS A 26 1.290 -7.112 6.752 1.00 0.00 C ATOM 422 CG LYS A 26 1.672 -6.793 8.191 1.00 0.00 C ATOM 423 CD LYS A 26 0.631 -7.288 9.186 1.00 0.00 C ATOM 424 CE LYS A 26 -0.678 -6.522 9.064 1.00 0.00 C ATOM 425 NZ LYS A 26 -0.550 -5.107 9.509 1.00 0.00 N ATOM 0 H LYS A 26 4.108 -6.877 6.791 1.00 0.00 H new ATOM 0 HA LYS A 26 1.991 -6.961 4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.332 -6.642 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.148 -8.188 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.635 -7.249 8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.795 -5.716 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.447 -8.350 9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.019 -7.185 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.014 -6.545 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.444 -7.019 9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.493 -4.670 9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.111 -5.078 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.043 -4.583 8.834 1.00 0.00 H new ATOM 439 N ILE A 27 1.760 -4.476 4.821 1.00 0.00 N ATOM 440 CA ILE A 27 1.835 -3.029 4.718 1.00 0.00 C ATOM 441 C ILE A 27 0.464 -2.393 4.902 1.00 0.00 C ATOM 442 O ILE A 27 -0.523 -2.837 4.317 1.00 0.00 O ATOM 443 CB ILE A 27 2.440 -2.581 3.368 1.00 0.00 C ATOM 444 CG1 ILE A 27 1.655 -3.167 2.187 1.00 0.00 C ATOM 445 CG2 ILE A 27 3.902 -2.992 3.293 1.00 0.00 C ATOM 446 CD1 ILE A 27 2.137 -2.687 0.834 1.00 0.00 C ATOM 0 H ILE A 27 1.143 -4.920 4.140 1.00 0.00 H new ATOM 0 HA ILE A 27 2.493 -2.690 5.518 1.00 0.00 H new ATOM 0 HB ILE A 27 2.373 -1.495 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.723 -4.254 2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.602 -2.910 2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.321 -2.673 2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.454 -2.523 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.980 -4.076 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.534 -3.144 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.043 -1.602 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.181 -2.968 0.699 1.00 0.00 H new ATOM 458 N ALA A 28 0.408 -1.362 5.727 1.00 0.00 N ATOM 459 CA ALA A 28 -0.828 -0.644 5.979 1.00 0.00 C ATOM 460 C ALA A 28 -0.586 0.855 5.860 1.00 0.00 C ATOM 461 O ALA A 28 -0.121 1.501 6.802 1.00 0.00 O ATOM 462 CB ALA A 28 -1.384 -0.998 7.355 1.00 0.00 C ATOM 0 H ALA A 28 1.213 -1.001 6.238 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.568 -0.939 5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.311 -0.450 7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.582 -2.069 7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.657 -0.729 8.121 1.00 0.00 H new ATOM 468 N PHE A 29 -0.861 1.406 4.694 1.00 0.00 N ATOM 469 CA PHE A 29 -0.633 2.822 4.483 1.00 0.00 C ATOM 470 C PHE A 29 -1.890 3.618 4.768 1.00 0.00 C ATOM 471 O PHE A 29 -2.994 3.230 4.379 1.00 0.00 O ATOM 472 CB PHE A 29 -0.109 3.116 3.072 1.00 0.00 C ATOM 473 CG PHE A 29 -0.841 2.430 1.949 1.00 0.00 C ATOM 474 CD1 PHE A 29 -1.991 2.979 1.396 1.00 0.00 C ATOM 475 CD2 PHE A 29 -0.349 1.246 1.423 1.00 0.00 C ATOM 476 CE1 PHE A 29 -2.629 2.358 0.341 1.00 0.00 C ATOM 477 CE2 PHE A 29 -0.987 0.619 0.374 1.00 0.00 C ATOM 478 CZ PHE A 29 -2.127 1.176 -0.169 1.00 0.00 C ATOM 0 H PHE A 29 -1.237 0.904 3.889 1.00 0.00 H new ATOM 0 HA PHE A 29 0.140 3.133 5.186 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.152 4.192 2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.941 2.828 3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.390 3.900 1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.546 0.809 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.520 2.796 -0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.595 -0.306 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.627 0.688 -0.993 1.00 0.00 H new ATOM 488 N THR A 30 -1.714 4.721 5.475 1.00 0.00 N ATOM 489 CA THR A 30 -2.814 5.610 5.776 1.00 0.00 C ATOM 490 C THR A 30 -3.062 6.530 4.593 1.00 0.00 C ATOM 491 O THR A 30 -2.221 7.364 4.251 1.00 0.00 O ATOM 492 CB THR A 30 -2.519 6.434 7.039 1.00 0.00 C ATOM 493 OG1 THR A 30 -2.073 5.556 8.080 1.00 0.00 O ATOM 494 CG2 THR A 30 -3.753 7.185 7.511 1.00 0.00 C ATOM 0 H THR A 30 -0.814 5.020 5.851 1.00 0.00 H new ATOM 0 HA THR A 30 -3.707 5.014 5.963 1.00 0.00 H new ATOM 0 HB THR A 30 -1.746 7.164 6.799 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.882 6.077 8.888 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.510 7.758 8.406 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.089 7.863 6.726 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.547 6.474 7.740 1.00 0.00 H new ATOM 502 N LEU A 31 -4.206 6.348 3.959 1.00 0.00 N ATOM 503 CA LEU A 31 -4.539 7.081 2.755 1.00 0.00 C ATOM 504 C LEU A 31 -5.657 8.062 3.045 1.00 0.00 C ATOM 505 O LEU A 31 -6.813 7.670 3.175 1.00 0.00 O ATOM 506 CB LEU A 31 -4.969 6.108 1.658 1.00 0.00 C ATOM 507 CG LEU A 31 -4.884 6.658 0.237 1.00 0.00 C ATOM 508 CD1 LEU A 31 -3.527 7.290 -0.011 1.00 0.00 C ATOM 509 CD2 LEU A 31 -5.133 5.551 -0.767 1.00 0.00 C ATOM 0 H LEU A 31 -4.925 5.692 4.263 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.662 7.632 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.349 5.214 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.996 5.798 1.851 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.650 7.424 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.486 7.676 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.372 8.107 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.747 6.541 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.070 5.955 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.383 4.770 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.126 5.130 -0.606 1.00 0.00 H new ATOM 521 N ASN A 32 -5.319 9.330 3.176 1.00 0.00 N ATOM 522 CA ASN A 32 -6.306 10.329 3.510 1.00 0.00 C ATOM 523 C ASN A 32 -7.038 10.829 2.270 1.00 0.00 C ATOM 524 O ASN A 32 -6.639 11.796 1.621 1.00 0.00 O ATOM 525 CB ASN A 32 -5.704 11.475 4.330 1.00 0.00 C ATOM 526 CG ASN A 32 -4.437 12.077 3.760 1.00 0.00 C ATOM 527 OD1 ASN A 32 -3.696 11.446 3.005 1.00 0.00 O ATOM 528 ND2 ASN A 32 -4.165 13.305 4.157 1.00 0.00 N ATOM 0 H ASN A 32 -4.372 9.688 3.056 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.050 9.850 4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -6.451 12.263 4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.494 11.110 5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.314 13.767 3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.806 13.792 4.783 1.00 0.00 H new ATOM 535 N VAL A 33 -8.137 10.143 1.975 1.00 0.00 N ATOM 536 CA VAL A 33 -8.971 10.425 0.819 1.00 0.00 C ATOM 537 C VAL A 33 -9.742 11.717 1.028 1.00 0.00 C ATOM 538 O VAL A 33 -10.253 11.972 2.109 1.00 0.00 O ATOM 539 CB VAL A 33 -9.960 9.264 0.574 1.00 0.00 C ATOM 540 CG1 VAL A 33 -10.913 9.573 -0.571 1.00 0.00 C ATOM 541 CG2 VAL A 33 -9.202 7.974 0.308 1.00 0.00 C ATOM 0 H VAL A 33 -8.476 9.365 2.542 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.325 10.532 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.561 9.140 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.594 8.734 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.487 10.469 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.342 9.737 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.911 7.164 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.572 8.097 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.578 7.734 1.169 1.00 0.00 H new ATOM 551 N THR A 34 -9.823 12.532 0.001 1.00 0.00 N ATOM 552 CA THR A 34 -10.428 13.839 0.140 1.00 0.00 C ATOM 553 C THR A 34 -11.879 13.827 -0.336 1.00 0.00 C ATOM 554 O THR A 34 -12.382 12.798 -0.791 1.00 0.00 O ATOM 555 CB THR A 34 -9.621 14.886 -0.636 1.00 0.00 C ATOM 556 OG1 THR A 34 -9.866 14.763 -2.043 1.00 0.00 O ATOM 557 CG2 THR A 34 -8.139 14.697 -0.382 1.00 0.00 C ATOM 0 H THR A 34 -9.480 12.316 -0.935 1.00 0.00 H new ATOM 0 HA THR A 34 -10.422 14.103 1.198 1.00 0.00 H new ATOM 0 HB THR A 34 -9.931 15.874 -0.296 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.040 14.949 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.576 15.446 -0.938 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.935 14.807 0.683 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.838 13.701 -0.708 1.00 0.00 H new ATOM 565 N SER A 35 -12.540 14.974 -0.250 1.00 0.00 N ATOM 566 CA SER A 35 -13.955 15.069 -0.585 1.00 0.00 C ATOM 567 C SER A 35 -14.158 15.307 -2.081 1.00 0.00 C ATOM 568 O SER A 35 -15.292 15.380 -2.557 1.00 0.00 O ATOM 569 CB SER A 35 -14.604 16.192 0.227 1.00 0.00 C ATOM 570 OG SER A 35 -14.442 15.968 1.620 1.00 0.00 O ATOM 0 H SER A 35 -12.118 15.853 0.049 1.00 0.00 H new ATOM 0 HA SER A 35 -14.431 14.121 -0.334 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.158 17.148 -0.046 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.665 16.255 -0.015 1.00 0.00 H new ATOM 0 HG SER A 35 -14.863 16.698 2.120 1.00 0.00 H new ATOM 576 N GLU A 36 -13.050 15.411 -2.818 1.00 0.00 N ATOM 577 CA GLU A 36 -13.096 15.647 -4.263 1.00 0.00 C ATOM 578 C GLU A 36 -13.896 14.563 -4.975 1.00 0.00 C ATOM 579 O GLU A 36 -14.731 14.849 -5.831 1.00 0.00 O ATOM 580 CB GLU A 36 -11.682 15.692 -4.848 1.00 0.00 C ATOM 581 CG GLU A 36 -10.813 16.794 -4.270 1.00 0.00 C ATOM 582 CD GLU A 36 -11.425 18.164 -4.449 1.00 0.00 C ATOM 583 OE1 GLU A 36 -11.590 18.596 -5.610 1.00 0.00 O ATOM 584 OE2 GLU A 36 -11.760 18.809 -3.433 1.00 0.00 O ATOM 0 H GLU A 36 -12.107 15.335 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.586 16.608 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.197 14.731 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.750 15.825 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.652 16.607 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.835 16.771 -4.750 1.00 0.00 H new ATOM 591 N THR A 37 -13.636 13.323 -4.612 1.00 0.00 N ATOM 592 CA THR A 37 -14.285 12.186 -5.239 1.00 0.00 C ATOM 593 C THR A 37 -14.448 11.071 -4.203 1.00 0.00 C ATOM 594 O THR A 37 -14.266 9.891 -4.482 1.00 0.00 O ATOM 595 CB THR A 37 -13.467 11.716 -6.471 1.00 0.00 C ATOM 596 OG1 THR A 37 -14.113 10.626 -7.136 1.00 0.00 O ATOM 597 CG2 THR A 37 -12.050 11.320 -6.081 1.00 0.00 C ATOM 0 H THR A 37 -12.973 13.074 -3.878 1.00 0.00 H new ATOM 0 HA THR A 37 -15.275 12.469 -5.598 1.00 0.00 H new ATOM 0 HB THR A 37 -13.411 12.560 -7.158 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.377 9.951 -6.477 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.506 10.996 -6.968 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.542 12.176 -5.636 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.086 10.504 -5.359 1.00 0.00 H new ATOM 605 N TYR A 38 -14.833 11.484 -3.003 1.00 0.00 N ATOM 606 CA TYR A 38 -14.895 10.603 -1.841 1.00 0.00 C ATOM 607 C TYR A 38 -15.886 9.447 -2.014 1.00 0.00 C ATOM 608 O TYR A 38 -15.595 8.321 -1.610 1.00 0.00 O ATOM 609 CB TYR A 38 -15.272 11.428 -0.604 1.00 0.00 C ATOM 610 CG TYR A 38 -15.642 10.602 0.610 1.00 0.00 C ATOM 611 CD1 TYR A 38 -14.666 10.000 1.393 1.00 0.00 C ATOM 612 CD2 TYR A 38 -16.973 10.429 0.970 1.00 0.00 C ATOM 613 CE1 TYR A 38 -15.008 9.244 2.499 1.00 0.00 C ATOM 614 CE2 TYR A 38 -17.322 9.676 2.072 1.00 0.00 C ATOM 615 CZ TYR A 38 -16.337 9.086 2.834 1.00 0.00 C ATOM 616 OH TYR A 38 -16.684 8.334 3.933 1.00 0.00 O ATOM 0 H TYR A 38 -15.113 12.445 -2.806 1.00 0.00 H new ATOM 0 HA TYR A 38 -13.909 10.154 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -14.435 12.076 -0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -16.111 12.076 -0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -13.625 10.124 1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -17.748 10.892 0.377 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -14.239 8.779 3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -18.362 9.550 2.336 1.00 0.00 H new ATOM 0 HH TYR A 38 -17.659 8.325 4.029 1.00 0.00 H new ATOM 626 N HIS A 39 -17.042 9.720 -2.612 1.00 0.00 N ATOM 627 CA HIS A 39 -18.151 8.764 -2.603 1.00 0.00 C ATOM 628 C HIS A 39 -17.762 7.416 -3.206 1.00 0.00 C ATOM 629 O HIS A 39 -17.946 6.380 -2.570 1.00 0.00 O ATOM 630 CB HIS A 39 -19.373 9.317 -3.338 1.00 0.00 C ATOM 631 CG HIS A 39 -20.617 8.512 -3.092 1.00 0.00 C ATOM 632 ND1 HIS A 39 -20.991 7.436 -3.866 1.00 0.00 N ATOM 633 CD2 HIS A 39 -21.560 8.619 -2.127 1.00 0.00 C ATOM 634 CE1 HIS A 39 -22.110 6.923 -3.394 1.00 0.00 C ATOM 635 NE2 HIS A 39 -22.478 7.620 -2.338 1.00 0.00 N ATOM 0 H HIS A 39 -17.237 10.590 -3.107 1.00 0.00 H new ATOM 0 HA HIS A 39 -18.405 8.607 -1.555 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -19.545 10.347 -3.024 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -19.167 9.340 -4.408 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -21.586 9.355 -1.337 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -22.637 6.074 -3.804 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -23.308 7.446 -1.771 1.00 0.00 H new ATOM 644 N ASP A 40 -17.224 7.423 -4.418 1.00 0.00 N ATOM 645 CA ASP A 40 -16.936 6.178 -5.117 1.00 0.00 C ATOM 646 C ASP A 40 -15.742 5.466 -4.496 1.00 0.00 C ATOM 647 O ASP A 40 -15.684 4.238 -4.480 1.00 0.00 O ATOM 648 CB ASP A 40 -16.705 6.427 -6.609 1.00 0.00 C ATOM 649 CG ASP A 40 -15.463 7.240 -6.901 1.00 0.00 C ATOM 650 OD1 ASP A 40 -15.464 8.450 -6.606 1.00 0.00 O ATOM 651 OD2 ASP A 40 -14.498 6.673 -7.457 1.00 0.00 O ATOM 0 H ASP A 40 -16.980 8.268 -4.934 1.00 0.00 H new ATOM 0 HA ASP A 40 -17.806 5.529 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.631 5.468 -7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.572 6.943 -7.022 1.00 0.00 H new ATOM 656 N ILE A 41 -14.807 6.236 -3.955 1.00 0.00 N ATOM 657 CA ILE A 41 -13.651 5.665 -3.278 1.00 0.00 C ATOM 658 C ILE A 41 -14.087 4.959 -1.995 1.00 0.00 C ATOM 659 O ILE A 41 -13.532 3.929 -1.612 1.00 0.00 O ATOM 660 CB ILE A 41 -12.601 6.744 -2.940 1.00 0.00 C ATOM 661 CG1 ILE A 41 -12.224 7.532 -4.193 1.00 0.00 C ATOM 662 CG2 ILE A 41 -11.361 6.106 -2.333 1.00 0.00 C ATOM 663 CD1 ILE A 41 -11.256 8.665 -3.923 1.00 0.00 C ATOM 0 H ILE A 41 -14.827 7.256 -3.972 1.00 0.00 H new ATOM 0 HA ILE A 41 -13.195 4.945 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.035 7.429 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.782 6.852 -4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -13.130 7.938 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.630 6.880 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.634 5.578 -1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.929 5.402 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.032 9.182 -4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.704 9.366 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.335 8.264 -3.500 1.00 0.00 H new ATOM 675 N ALA A 42 -15.101 5.515 -1.343 1.00 0.00 N ATOM 676 CA ALA A 42 -15.669 4.907 -0.148 1.00 0.00 C ATOM 677 C ALA A 42 -16.365 3.595 -0.486 1.00 0.00 C ATOM 678 O ALA A 42 -16.440 2.687 0.342 1.00 0.00 O ATOM 679 CB ALA A 42 -16.637 5.867 0.525 1.00 0.00 C ATOM 0 H ALA A 42 -15.547 6.388 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.856 4.690 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -17.053 5.398 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.109 6.778 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -17.444 6.114 -0.165 1.00 0.00 H new ATOM 685 N VAL A 43 -16.872 3.500 -1.712 1.00 0.00 N ATOM 686 CA VAL A 43 -17.517 2.282 -2.181 1.00 0.00 C ATOM 687 C VAL A 43 -16.472 1.209 -2.475 1.00 0.00 C ATOM 688 O VAL A 43 -16.727 0.013 -2.312 1.00 0.00 O ATOM 689 CB VAL A 43 -18.370 2.538 -3.445 1.00 0.00 C ATOM 690 CG1 VAL A 43 -19.045 1.260 -3.915 1.00 0.00 C ATOM 691 CG2 VAL A 43 -19.406 3.622 -3.185 1.00 0.00 C ATOM 0 H VAL A 43 -16.847 4.254 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 43 -18.181 1.937 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.703 2.881 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.639 1.468 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.287 0.514 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -19.695 0.880 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -19.995 3.786 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -20.064 3.310 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.902 4.548 -2.907 1.00 0.00 H new ATOM 701 N LEU A 44 -15.291 1.642 -2.895 1.00 0.00 N ATOM 702 CA LEU A 44 -14.190 0.725 -3.151 1.00 0.00 C ATOM 703 C LEU A 44 -13.624 0.196 -1.839 1.00 0.00 C ATOM 704 O LEU A 44 -12.955 0.908 -1.092 1.00 0.00 O ATOM 705 CB LEU A 44 -13.093 1.397 -3.982 1.00 0.00 C ATOM 706 CG LEU A 44 -13.211 1.206 -5.500 1.00 0.00 C ATOM 707 CD1 LEU A 44 -14.554 1.694 -6.015 1.00 0.00 C ATOM 708 CD2 LEU A 44 -12.085 1.932 -6.210 1.00 0.00 C ATOM 0 H LEU A 44 -15.071 2.623 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.576 -0.116 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.099 2.465 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.127 1.011 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.136 0.139 -5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.606 1.545 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.354 1.133 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.667 2.754 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.181 1.788 -7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.136 2.996 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.127 1.534 -5.875 1.00 0.00 H new ATOM 720 N LEU A 45 -13.908 -1.065 -1.582 1.00 0.00 N ATOM 721 CA LEU A 45 -13.520 -1.722 -0.359 1.00 0.00 C ATOM 722 C LEU A 45 -12.550 -2.831 -0.693 1.00 0.00 C ATOM 723 O LEU A 45 -12.960 -3.928 -1.085 1.00 0.00 O ATOM 724 CB LEU A 45 -14.749 -2.283 0.360 1.00 0.00 C ATOM 725 CG LEU A 45 -14.452 -3.117 1.609 1.00 0.00 C ATOM 726 CD1 LEU A 45 -13.667 -2.299 2.621 1.00 0.00 C ATOM 727 CD2 LEU A 45 -15.747 -3.630 2.222 1.00 0.00 C ATOM 0 H LEU A 45 -14.421 -1.666 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.042 -1.005 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -15.395 -1.452 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -15.311 -2.898 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.845 -3.974 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.465 -2.908 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -12.724 -1.979 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -14.248 -1.423 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -15.520 -4.221 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.377 -2.785 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.272 -4.251 1.496 1.00 0.00 H new ATOM 739 N TYR A 46 -11.274 -2.496 -0.605 1.00 0.00 N ATOM 740 CA TYR A 46 -10.188 -3.423 -0.916 1.00 0.00 C ATOM 741 C TYR A 46 -10.116 -3.622 -2.421 1.00 0.00 C ATOM 742 O TYR A 46 -10.649 -2.815 -3.188 1.00 0.00 O ATOM 743 CB TYR A 46 -10.416 -4.794 -0.273 1.00 0.00 C ATOM 744 CG TYR A 46 -9.829 -4.984 1.094 1.00 0.00 C ATOM 745 CD1 TYR A 46 -8.507 -5.347 1.232 1.00 0.00 C ATOM 746 CD2 TYR A 46 -10.599 -4.844 2.235 1.00 0.00 C ATOM 747 CE1 TYR A 46 -7.954 -5.573 2.476 1.00 0.00 C ATOM 748 CE2 TYR A 46 -10.058 -5.058 3.484 1.00 0.00 C ATOM 749 CZ TYR A 46 -8.736 -5.425 3.600 1.00 0.00 C ATOM 750 OH TYR A 46 -8.199 -5.656 4.846 1.00 0.00 O ATOM 0 H TYR A 46 -10.956 -1.571 -0.315 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.265 -2.995 -0.525 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.490 -4.971 -0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.003 -5.556 -0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.892 -5.457 0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.638 -4.563 2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.918 -5.863 2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.668 -4.938 4.367 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.402 -4.899 5.435 1.00 0.00 H new ATOM 760 N GLU A 47 -9.460 -4.705 -2.819 1.00 0.00 N ATOM 761 CA GLU A 47 -9.409 -5.142 -4.201 1.00 0.00 C ATOM 762 C GLU A 47 -8.637 -6.456 -4.308 1.00 0.00 C ATOM 763 O GLU A 47 -8.566 -7.218 -3.344 1.00 0.00 O ATOM 764 CB GLU A 47 -8.780 -4.073 -5.101 1.00 0.00 C ATOM 765 CG GLU A 47 -9.772 -3.420 -6.049 1.00 0.00 C ATOM 766 CD GLU A 47 -10.393 -4.422 -7.002 1.00 0.00 C ATOM 767 OE1 GLU A 47 -9.647 -5.028 -7.801 1.00 0.00 O ATOM 768 OE2 GLU A 47 -11.622 -4.620 -6.950 1.00 0.00 O ATOM 0 H GLU A 47 -8.943 -5.309 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.431 -5.303 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.326 -3.304 -4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.977 -4.526 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.558 -2.934 -5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.268 -2.641 -6.621 1.00 0.00 H new ATOM 775 N LYS A 48 -8.081 -6.720 -5.484 1.00 0.00 N ATOM 776 CA LYS A 48 -7.338 -7.953 -5.732 1.00 0.00 C ATOM 777 C LYS A 48 -5.835 -7.751 -5.482 1.00 0.00 C ATOM 778 O LYS A 48 -5.453 -6.986 -4.604 1.00 0.00 O ATOM 779 CB LYS A 48 -7.621 -8.434 -7.159 1.00 0.00 C ATOM 780 CG LYS A 48 -7.426 -7.366 -8.227 1.00 0.00 C ATOM 781 CD LYS A 48 -7.907 -7.852 -9.587 1.00 0.00 C ATOM 782 CE LYS A 48 -9.372 -8.273 -9.548 1.00 0.00 C ATOM 783 NZ LYS A 48 -10.285 -7.131 -9.262 1.00 0.00 N ATOM 0 H LYS A 48 -8.130 -6.093 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.669 -8.723 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.969 -9.278 -7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.646 -8.801 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.971 -6.464 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.372 -7.096 -8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.775 -7.060 -10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.295 -8.694 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.644 -8.721 -10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.506 -9.041 -8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.256 -7.484 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.982 -6.655 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.255 -6.456 -10.053 1.00 0.00 H new ATOM 797 N THR A 49 -4.985 -8.452 -6.229 1.00 0.00 N ATOM 798 CA THR A 49 -3.544 -8.383 -6.008 1.00 0.00 C ATOM 799 C THR A 49 -2.932 -7.128 -6.627 1.00 0.00 C ATOM 800 O THR A 49 -3.344 -6.688 -7.702 1.00 0.00 O ATOM 801 CB THR A 49 -2.830 -9.624 -6.579 1.00 0.00 C ATOM 802 OG1 THR A 49 -3.179 -9.809 -7.961 1.00 0.00 O ATOM 803 CG2 THR A 49 -3.192 -10.873 -5.792 1.00 0.00 C ATOM 0 H THR A 49 -5.268 -9.071 -6.989 1.00 0.00 H new ATOM 0 HA THR A 49 -3.400 -8.347 -4.928 1.00 0.00 H new ATOM 0 HB THR A 49 -1.756 -9.459 -6.496 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.607 -10.683 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.674 -11.733 -6.216 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.893 -10.747 -4.751 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.269 -11.036 -5.843 1.00 0.00 H new ATOM 811 N PHE A 50 -1.939 -6.567 -5.948 1.00 0.00 N ATOM 812 CA PHE A 50 -1.247 -5.378 -6.435 1.00 0.00 C ATOM 813 C PHE A 50 0.251 -5.623 -6.470 1.00 0.00 C ATOM 814 O PHE A 50 0.825 -6.108 -5.495 1.00 0.00 O ATOM 815 CB PHE A 50 -1.534 -4.167 -5.543 1.00 0.00 C ATOM 816 CG PHE A 50 -2.978 -3.769 -5.501 1.00 0.00 C ATOM 817 CD1 PHE A 50 -3.830 -4.326 -4.565 1.00 0.00 C ATOM 818 CD2 PHE A 50 -3.482 -2.841 -6.398 1.00 0.00 C ATOM 819 CE1 PHE A 50 -5.160 -3.967 -4.522 1.00 0.00 C ATOM 820 CE2 PHE A 50 -4.813 -2.477 -6.360 1.00 0.00 C ATOM 821 CZ PHE A 50 -5.654 -3.040 -5.420 1.00 0.00 C ATOM 0 H PHE A 50 -1.593 -6.917 -5.055 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.613 -5.170 -7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.199 -4.388 -4.530 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.945 -3.321 -5.896 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.449 -5.050 -3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.827 -2.398 -7.134 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.816 -4.410 -3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.196 -1.753 -7.064 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.696 -2.756 -5.387 1.00 0.00 H new ATOM 831 N ASN A 51 0.884 -5.302 -7.588 1.00 0.00 N ATOM 832 CA ASN A 51 2.328 -5.437 -7.690 1.00 0.00 C ATOM 833 C ASN A 51 3.011 -4.201 -7.121 1.00 0.00 C ATOM 834 O ASN A 51 3.081 -3.148 -7.759 1.00 0.00 O ATOM 835 CB ASN A 51 2.778 -5.729 -9.133 1.00 0.00 C ATOM 836 CG ASN A 51 2.091 -4.870 -10.180 1.00 0.00 C ATOM 837 OD1 ASN A 51 1.005 -5.205 -10.648 1.00 0.00 O ATOM 838 ND2 ASN A 51 2.728 -3.781 -10.582 1.00 0.00 N ATOM 0 H ASN A 51 0.426 -4.950 -8.429 1.00 0.00 H new ATOM 0 HA ASN A 51 2.632 -6.299 -7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.855 -5.579 -9.204 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.587 -6.779 -9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.319 -3.188 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.628 -3.535 -10.170 1.00 0.00 H new ATOM 845 N VAL A 52 3.478 -4.347 -5.892 1.00 0.00 N ATOM 846 CA VAL A 52 4.142 -3.280 -5.171 1.00 0.00 C ATOM 847 C VAL A 52 5.557 -3.098 -5.697 1.00 0.00 C ATOM 848 O VAL A 52 6.384 -4.009 -5.604 1.00 0.00 O ATOM 849 CB VAL A 52 4.193 -3.594 -3.657 1.00 0.00 C ATOM 850 CG1 VAL A 52 4.826 -2.453 -2.881 1.00 0.00 C ATOM 851 CG2 VAL A 52 2.801 -3.901 -3.122 1.00 0.00 C ATOM 0 H VAL A 52 3.405 -5.217 -5.365 1.00 0.00 H new ATOM 0 HA VAL A 52 3.576 -2.361 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 52 4.816 -4.478 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.848 -2.703 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.844 -2.291 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.242 -1.545 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.861 -4.119 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.152 -3.040 -3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.392 -4.765 -3.646 1.00 0.00 H new ATOM 861 N GLU A 53 5.823 -1.937 -6.273 1.00 0.00 N ATOM 862 CA GLU A 53 7.135 -1.642 -6.826 1.00 0.00 C ATOM 863 C GLU A 53 7.728 -0.417 -6.183 1.00 0.00 C ATOM 864 O GLU A 53 7.180 0.685 -6.264 1.00 0.00 O ATOM 865 CB GLU A 53 7.059 -1.451 -8.340 1.00 0.00 C ATOM 866 CG GLU A 53 6.691 -2.710 -9.104 1.00 0.00 C ATOM 867 CD GLU A 53 6.489 -2.444 -10.578 1.00 0.00 C ATOM 868 OE1 GLU A 53 7.485 -2.234 -11.295 1.00 0.00 O ATOM 869 OE2 GLU A 53 5.325 -2.418 -11.023 1.00 0.00 O ATOM 0 H GLU A 53 5.145 -1.181 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 53 7.781 -2.494 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.325 -0.676 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.023 -1.089 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.477 -3.454 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.779 -3.134 -8.685 1.00 0.00 H new ATOM 876 N VAL A 54 8.852 -0.633 -5.537 1.00 0.00 N ATOM 877 CA VAL A 54 9.598 0.437 -4.931 1.00 0.00 C ATOM 878 C VAL A 54 11.002 0.504 -5.541 1.00 0.00 C ATOM 879 O VAL A 54 11.857 -0.344 -5.272 1.00 0.00 O ATOM 880 CB VAL A 54 9.660 0.275 -3.396 1.00 0.00 C ATOM 881 CG1 VAL A 54 10.156 -1.100 -2.990 1.00 0.00 C ATOM 882 CG2 VAL A 54 10.538 1.342 -2.797 1.00 0.00 C ATOM 0 H VAL A 54 9.271 -1.556 -5.419 1.00 0.00 H new ATOM 0 HA VAL A 54 9.086 1.378 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 54 8.645 0.384 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.184 -1.170 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.483 -1.861 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.158 -1.258 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.574 1.218 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.545 1.257 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.131 2.325 -3.036 1.00 0.00 H new ATOM 892 N PRO A 55 11.239 1.505 -6.405 1.00 0.00 N ATOM 893 CA PRO A 55 12.518 1.676 -7.107 1.00 0.00 C ATOM 894 C PRO A 55 13.692 1.893 -6.156 1.00 0.00 C ATOM 895 O PRO A 55 14.836 1.595 -6.495 1.00 0.00 O ATOM 896 CB PRO A 55 12.304 2.928 -7.965 1.00 0.00 C ATOM 897 CG PRO A 55 10.828 3.101 -8.054 1.00 0.00 C ATOM 898 CD PRO A 55 10.264 2.539 -6.786 1.00 0.00 C ATOM 0 HA PRO A 55 12.773 0.784 -7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.775 3.800 -7.511 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.745 2.806 -8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.565 4.153 -8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.427 2.580 -8.923 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.169 3.304 -6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.271 2.117 -6.941 1.00 0.00 H new ATOM 906 N GLU A 56 13.398 2.410 -4.967 1.00 0.00 N ATOM 907 CA GLU A 56 14.426 2.679 -3.969 1.00 0.00 C ATOM 908 C GLU A 56 15.141 1.395 -3.566 1.00 0.00 C ATOM 909 O GLU A 56 16.362 1.368 -3.428 1.00 0.00 O ATOM 910 CB GLU A 56 13.802 3.326 -2.727 1.00 0.00 C ATOM 911 CG GLU A 56 14.823 3.776 -1.693 1.00 0.00 C ATOM 912 CD GLU A 56 14.474 3.340 -0.281 1.00 0.00 C ATOM 913 OE1 GLU A 56 13.276 3.161 0.020 1.00 0.00 O ATOM 914 OE2 GLU A 56 15.398 3.185 0.544 1.00 0.00 O ATOM 0 H GLU A 56 12.452 2.652 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 56 15.152 3.362 -4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.208 4.186 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.117 2.616 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.801 3.375 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.905 4.863 -1.721 1.00 0.00 H new ATOM 921 N ARG A 57 14.370 0.327 -3.402 1.00 0.00 N ATOM 922 CA ARG A 57 14.905 -0.929 -2.890 1.00 0.00 C ATOM 923 C ARG A 57 14.679 -2.057 -3.890 1.00 0.00 C ATOM 924 O ARG A 57 14.747 -3.234 -3.532 1.00 0.00 O ATOM 925 CB ARG A 57 14.244 -1.260 -1.546 1.00 0.00 C ATOM 926 CG ARG A 57 14.346 -0.121 -0.544 1.00 0.00 C ATOM 927 CD ARG A 57 13.606 -0.418 0.750 1.00 0.00 C ATOM 928 NE ARG A 57 13.528 0.764 1.614 1.00 0.00 N ATOM 929 CZ ARG A 57 13.426 0.713 2.944 1.00 0.00 C ATOM 930 NH1 ARG A 57 13.406 -0.456 3.576 1.00 0.00 N ATOM 931 NH2 ARG A 57 13.344 1.837 3.649 1.00 0.00 N ATOM 0 H ARG A 57 13.373 0.305 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 57 15.979 -0.822 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 57 13.194 -1.499 -1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.711 -2.151 -1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 57 15.396 0.071 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 57 13.942 0.788 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.600 -0.769 0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.111 -1.224 1.281 1.00 0.00 H new ATOM 0 HE ARG A 57 13.553 1.683 1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 57 13.469 -1.324 3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.328 -0.485 4.593 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.359 2.739 3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.266 1.797 4.665 1.00 0.00 H new ATOM 945 N ASP A 58 14.409 -1.665 -5.141 1.00 0.00 N ATOM 946 CA ASP A 58 14.167 -2.591 -6.264 1.00 0.00 C ATOM 947 C ASP A 58 13.281 -3.774 -5.862 1.00 0.00 C ATOM 948 O ASP A 58 13.438 -4.892 -6.353 1.00 0.00 O ATOM 949 CB ASP A 58 15.495 -3.071 -6.895 1.00 0.00 C ATOM 950 CG ASP A 58 16.334 -3.972 -6.004 1.00 0.00 C ATOM 951 OD1 ASP A 58 17.131 -3.452 -5.196 1.00 0.00 O ATOM 952 OD2 ASP A 58 16.236 -5.211 -6.138 1.00 0.00 O ATOM 0 H ASP A 58 14.351 -0.683 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 58 13.620 -2.031 -7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.270 -3.604 -7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.088 -2.198 -7.167 1.00 0.00 H new ATOM 957 N LEU A 59 12.307 -3.508 -5.004 1.00 0.00 N ATOM 958 CA LEU A 59 11.430 -4.556 -4.511 1.00 0.00 C ATOM 959 C LEU A 59 10.193 -4.649 -5.392 1.00 0.00 C ATOM 960 O LEU A 59 9.406 -3.703 -5.470 1.00 0.00 O ATOM 961 CB LEU A 59 11.021 -4.276 -3.060 1.00 0.00 C ATOM 962 CG LEU A 59 10.909 -5.502 -2.142 1.00 0.00 C ATOM 963 CD1 LEU A 59 10.546 -5.072 -0.731 1.00 0.00 C ATOM 964 CD2 LEU A 59 9.882 -6.495 -2.670 1.00 0.00 C ATOM 0 H LEU A 59 12.106 -2.578 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 59 11.966 -5.505 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.746 -3.587 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.059 -3.764 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 59 11.879 -5.998 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.470 -5.951 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.318 -4.407 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.590 -4.549 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.826 -7.352 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.906 -6.013 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.178 -6.831 -3.663 1.00 0.00 H new ATOM 976 N ALA A 60 10.050 -5.772 -6.079 1.00 0.00 N ATOM 977 CA ALA A 60 8.866 -6.037 -6.875 1.00 0.00 C ATOM 978 C ALA A 60 8.093 -7.199 -6.268 1.00 0.00 C ATOM 979 O ALA A 60 8.453 -8.362 -6.448 1.00 0.00 O ATOM 980 CB ALA A 60 9.243 -6.339 -8.318 1.00 0.00 C ATOM 0 H ALA A 60 10.746 -6.518 -6.100 1.00 0.00 H new ATOM 0 HA ALA A 60 8.233 -5.150 -6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.340 -6.535 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.768 -5.484 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.891 -7.215 -8.349 1.00 0.00 H new ATOM 986 N PHE A 61 7.050 -6.879 -5.524 1.00 0.00 N ATOM 987 CA PHE A 61 6.290 -7.889 -4.810 1.00 0.00 C ATOM 988 C PHE A 61 4.804 -7.653 -4.982 1.00 0.00 C ATOM 989 O PHE A 61 4.294 -6.585 -4.668 1.00 0.00 O ATOM 990 CB PHE A 61 6.655 -7.856 -3.330 1.00 0.00 C ATOM 991 CG PHE A 61 5.948 -8.872 -2.477 1.00 0.00 C ATOM 992 CD1 PHE A 61 6.406 -10.177 -2.414 1.00 0.00 C ATOM 993 CD2 PHE A 61 4.837 -8.516 -1.725 1.00 0.00 C ATOM 994 CE1 PHE A 61 5.767 -11.110 -1.619 1.00 0.00 C ATOM 995 CE2 PHE A 61 4.195 -9.443 -0.928 1.00 0.00 C ATOM 996 CZ PHE A 61 4.662 -10.742 -0.875 1.00 0.00 C ATOM 0 H PHE A 61 6.709 -5.926 -5.398 1.00 0.00 H new ATOM 0 HA PHE A 61 6.535 -8.869 -5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.730 -8.008 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.437 -6.862 -2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.271 -10.469 -2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.470 -7.501 -1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.131 -12.126 -1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.331 -9.154 -0.348 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.164 -11.470 -0.252 1.00 0.00 H new ATOM 1006 N ARG A 62 4.117 -8.657 -5.475 1.00 0.00 N ATOM 1007 CA ARG A 62 2.682 -8.556 -5.687 1.00 0.00 C ATOM 1008 C ARG A 62 1.937 -9.170 -4.514 1.00 0.00 C ATOM 1009 O ARG A 62 1.774 -10.386 -4.432 1.00 0.00 O ATOM 1010 CB ARG A 62 2.254 -9.217 -7.006 1.00 0.00 C ATOM 1011 CG ARG A 62 0.755 -9.118 -7.261 1.00 0.00 C ATOM 1012 CD ARG A 62 0.382 -9.503 -8.686 1.00 0.00 C ATOM 1013 NE ARG A 62 0.803 -10.862 -9.032 1.00 0.00 N ATOM 1014 CZ ARG A 62 -0.035 -11.887 -9.194 1.00 0.00 C ATOM 1015 NH1 ARG A 62 -1.341 -11.730 -9.008 1.00 0.00 N ATOM 1016 NH2 ARG A 62 0.436 -13.077 -9.544 1.00 0.00 N ATOM 0 H ARG A 62 4.523 -9.555 -5.738 1.00 0.00 H new ATOM 0 HA ARG A 62 2.427 -7.498 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.789 -8.748 -7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.546 -10.267 -6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.227 -9.767 -6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.422 -8.099 -7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.698 -9.419 -8.810 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.839 -8.798 -9.380 1.00 0.00 H new ATOM 0 HE ARG A 62 1.800 -11.036 -9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.712 -10.819 -8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.973 -12.521 -9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.437 -13.207 -9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.203 -13.862 -9.668 1.00 0.00 H new ATOM 1030 N GLY A 63 1.509 -8.312 -3.600 1.00 0.00 N ATOM 1031 CA GLY A 63 0.794 -8.763 -2.426 1.00 0.00 C ATOM 1032 C GLY A 63 -0.677 -8.968 -2.710 1.00 0.00 C ATOM 1033 O GLY A 63 -1.151 -8.654 -3.807 1.00 0.00 O ATOM 0 H GLY A 63 1.646 -7.303 -3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.230 -9.697 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.912 -8.032 -1.626 1.00 0.00 H new ATOM 1037 N GLU A 64 -1.401 -9.473 -1.727 1.00 0.00 N ATOM 1038 CA GLU A 64 -2.810 -9.772 -1.904 1.00 0.00 C ATOM 1039 C GLU A 64 -3.651 -9.081 -0.842 1.00 0.00 C ATOM 1040 O GLU A 64 -3.138 -8.630 0.183 1.00 0.00 O ATOM 1041 CB GLU A 64 -3.035 -11.291 -1.876 1.00 0.00 C ATOM 1042 CG GLU A 64 -2.562 -11.979 -0.598 1.00 0.00 C ATOM 1043 CD GLU A 64 -3.639 -12.072 0.468 1.00 0.00 C ATOM 1044 OE1 GLU A 64 -4.451 -13.020 0.408 1.00 0.00 O ATOM 1045 OE2 GLU A 64 -3.673 -11.208 1.366 1.00 0.00 O ATOM 0 H GLU A 64 -1.036 -9.684 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.124 -9.391 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.098 -11.490 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.519 -11.737 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.214 -12.983 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.708 -11.434 -0.195 1.00 0.00 H new ATOM 1052 N MET A 65 -4.934 -8.962 -1.114 1.00 0.00 N ATOM 1053 CA MET A 65 -5.867 -8.464 -0.134 1.00 0.00 C ATOM 1054 C MET A 65 -6.794 -9.580 0.328 1.00 0.00 C ATOM 1055 O MET A 65 -7.830 -9.832 -0.283 1.00 0.00 O ATOM 1056 CB MET A 65 -6.678 -7.311 -0.708 1.00 0.00 C ATOM 1057 CG MET A 65 -5.884 -6.030 -0.875 1.00 0.00 C ATOM 1058 SD MET A 65 -6.900 -4.697 -1.522 1.00 0.00 S ATOM 1059 CE MET A 65 -5.857 -3.282 -1.241 1.00 0.00 C ATOM 0 H MET A 65 -5.353 -9.206 -2.012 1.00 0.00 H new ATOM 0 HA MET A 65 -5.303 -8.098 0.724 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.079 -7.608 -1.677 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.530 -7.118 -0.056 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.465 -5.734 0.087 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.045 -6.207 -1.548 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.382 -2.377 -1.546 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.608 -3.218 -0.182 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.941 -3.384 -1.823 1.00 0.00 H new ATOM 1069 N THR A 66 -6.395 -10.265 1.389 1.00 0.00 N ATOM 1070 CA THR A 66 -7.194 -11.341 1.964 1.00 0.00 C ATOM 1071 C THR A 66 -8.450 -10.812 2.658 1.00 0.00 C ATOM 1072 O THR A 66 -9.294 -11.594 3.100 1.00 0.00 O ATOM 1073 CB THR A 66 -6.347 -12.185 2.948 1.00 0.00 C ATOM 1074 OG1 THR A 66 -7.169 -13.116 3.669 1.00 0.00 O ATOM 1075 CG2 THR A 66 -5.600 -11.290 3.926 1.00 0.00 C ATOM 0 H THR A 66 -5.514 -10.094 1.874 1.00 0.00 H new ATOM 0 HA THR A 66 -7.518 -11.979 1.141 1.00 0.00 H new ATOM 0 HB THR A 66 -5.621 -12.745 2.359 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.112 -12.946 3.465 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.012 -11.906 4.607 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.936 -10.623 3.375 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.315 -10.699 4.498 1.00 0.00 H new ATOM 1083 N ASN A 67 -8.571 -9.487 2.724 1.00 0.00 N ATOM 1084 CA ASN A 67 -9.738 -8.817 3.307 1.00 0.00 C ATOM 1085 C ASN A 67 -9.837 -9.060 4.810 1.00 0.00 C ATOM 1086 O ASN A 67 -10.293 -10.113 5.252 1.00 0.00 O ATOM 1087 CB ASN A 67 -11.046 -9.250 2.626 1.00 0.00 C ATOM 1088 CG ASN A 67 -11.132 -8.820 1.174 1.00 0.00 C ATOM 1089 OD1 ASN A 67 -11.576 -7.714 0.868 1.00 0.00 O ATOM 1090 ND2 ASN A 67 -10.731 -9.699 0.270 1.00 0.00 N ATOM 0 H ASN A 67 -7.861 -8.844 2.374 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.595 -7.750 3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.137 -10.335 2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.890 -8.830 3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.784 -9.470 -0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.369 -10.606 0.566 1.00 0.00 H new ATOM 1097 N TYR A 68 -9.407 -8.083 5.597 1.00 0.00 N ATOM 1098 CA TYR A 68 -9.486 -8.195 7.045 1.00 0.00 C ATOM 1099 C TYR A 68 -10.703 -7.443 7.581 1.00 0.00 C ATOM 1100 O TYR A 68 -11.478 -7.981 8.370 1.00 0.00 O ATOM 1101 CB TYR A 68 -8.207 -7.661 7.701 1.00 0.00 C ATOM 1102 CG TYR A 68 -8.170 -7.873 9.200 1.00 0.00 C ATOM 1103 CD1 TYR A 68 -7.713 -9.071 9.738 1.00 0.00 C ATOM 1104 CD2 TYR A 68 -8.608 -6.886 10.076 1.00 0.00 C ATOM 1105 CE1 TYR A 68 -7.692 -9.277 11.103 1.00 0.00 C ATOM 1106 CE2 TYR A 68 -8.591 -7.087 11.442 1.00 0.00 C ATOM 1107 CZ TYR A 68 -8.135 -8.284 11.949 1.00 0.00 C ATOM 1108 OH TYR A 68 -8.123 -8.491 13.308 1.00 0.00 O ATOM 0 H TYR A 68 -9.003 -7.210 5.259 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.592 -9.251 7.295 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.344 -8.151 7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.116 -6.596 7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.369 -9.853 9.077 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.967 -5.947 9.682 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.330 -10.212 11.505 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.933 -6.310 12.109 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.466 -7.694 13.763 1.00 0.00 H new ATOM 1118 N SER A 69 -10.867 -6.199 7.149 1.00 0.00 N ATOM 1119 CA SER A 69 -11.957 -5.366 7.637 1.00 0.00 C ATOM 1120 C SER A 69 -12.779 -4.816 6.471 1.00 0.00 C ATOM 1121 O SER A 69 -12.432 -5.014 5.308 1.00 0.00 O ATOM 1122 CB SER A 69 -11.394 -4.224 8.492 1.00 0.00 C ATOM 1123 OG SER A 69 -12.431 -3.421 9.037 1.00 0.00 O ATOM 0 H SER A 69 -10.261 -5.747 6.464 1.00 0.00 H new ATOM 0 HA SER A 69 -12.618 -5.974 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.790 -4.637 9.300 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.734 -3.605 7.885 1.00 0.00 H new ATOM 0 HG SER A 69 -12.039 -2.704 9.578 1.00 0.00 H new ATOM 1129 N THR A 70 -13.863 -4.126 6.791 1.00 0.00 N ATOM 1130 CA THR A 70 -14.748 -3.571 5.784 1.00 0.00 C ATOM 1131 C THR A 70 -14.726 -2.042 5.810 1.00 0.00 C ATOM 1132 O THR A 70 -15.651 -1.388 5.332 1.00 0.00 O ATOM 1133 CB THR A 70 -16.192 -4.070 5.997 1.00 0.00 C ATOM 1134 OG1 THR A 70 -16.551 -3.946 7.380 1.00 0.00 O ATOM 1135 CG2 THR A 70 -16.340 -5.522 5.561 1.00 0.00 C ATOM 0 H THR A 70 -14.151 -3.937 7.751 1.00 0.00 H new ATOM 0 HA THR A 70 -14.391 -3.908 4.811 1.00 0.00 H new ATOM 0 HB THR A 70 -16.856 -3.457 5.388 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.469 -4.263 7.509 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.368 -5.847 5.722 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.093 -5.611 4.503 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.665 -6.148 6.145 1.00 0.00 H new ATOM 1143 N SER A 71 -13.655 -1.476 6.353 1.00 0.00 N ATOM 1144 CA SER A 71 -13.533 -0.028 6.449 1.00 0.00 C ATOM 1145 C SER A 71 -12.342 0.486 5.632 1.00 0.00 C ATOM 1146 O SER A 71 -11.830 1.579 5.879 1.00 0.00 O ATOM 1147 CB SER A 71 -13.383 0.381 7.919 1.00 0.00 C ATOM 1148 OG SER A 71 -13.382 1.794 8.065 1.00 0.00 O ATOM 0 H SER A 71 -12.863 -1.995 6.732 1.00 0.00 H new ATOM 0 HA SER A 71 -14.437 0.420 6.038 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.199 -0.046 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.456 -0.029 8.320 1.00 0.00 H new ATOM 0 HG SER A 71 -12.827 2.195 7.364 1.00 0.00 H new ATOM 1154 N LEU A 72 -11.913 -0.288 4.643 1.00 0.00 N ATOM 1155 CA LEU A 72 -10.751 0.092 3.851 1.00 0.00 C ATOM 1156 C LEU A 72 -11.147 0.755 2.535 1.00 0.00 C ATOM 1157 O LEU A 72 -11.323 0.093 1.511 1.00 0.00 O ATOM 1158 CB LEU A 72 -9.831 -1.105 3.597 1.00 0.00 C ATOM 1159 CG LEU A 72 -9.042 -1.582 4.820 1.00 0.00 C ATOM 1160 CD1 LEU A 72 -9.911 -2.418 5.743 1.00 0.00 C ATOM 1161 CD2 LEU A 72 -7.804 -2.350 4.391 1.00 0.00 C ATOM 0 H LEU A 72 -12.346 -1.171 4.373 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.199 0.827 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.432 -1.934 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.126 -0.842 2.808 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.721 -0.703 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.323 -2.742 6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.756 -1.821 6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.278 -3.292 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.257 -2.681 5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.100 -3.218 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.165 -1.704 3.789 1.00 0.00 H new ATOM 1173 N THR A 73 -11.316 2.064 2.610 1.00 0.00 N ATOM 1174 CA THR A 73 -11.544 2.917 1.451 1.00 0.00 C ATOM 1175 C THR A 73 -10.296 2.938 0.555 1.00 0.00 C ATOM 1176 O THR A 73 -9.241 3.429 0.959 1.00 0.00 O ATOM 1177 CB THR A 73 -11.914 4.326 1.965 1.00 0.00 C ATOM 1178 OG1 THR A 73 -13.291 4.345 2.363 1.00 0.00 O ATOM 1179 CG2 THR A 73 -11.650 5.426 0.957 1.00 0.00 C ATOM 0 H THR A 73 -11.299 2.575 3.493 1.00 0.00 H new ATOM 0 HA THR A 73 -12.362 2.535 0.840 1.00 0.00 H new ATOM 0 HB THR A 73 -11.267 4.531 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.380 4.830 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.933 6.388 1.385 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.590 5.440 0.703 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.237 5.243 0.057 1.00 0.00 H new ATOM 1187 N ASN A 74 -10.429 2.395 -0.656 1.00 0.00 N ATOM 1188 CA ASN A 74 -9.267 2.044 -1.480 1.00 0.00 C ATOM 1189 C ASN A 74 -9.245 2.774 -2.830 1.00 0.00 C ATOM 1190 O ASN A 74 -10.293 3.146 -3.359 1.00 0.00 O ATOM 1191 CB ASN A 74 -9.273 0.524 -1.713 1.00 0.00 C ATOM 1192 CG ASN A 74 -8.017 0.006 -2.399 1.00 0.00 C ATOM 1193 OD1 ASN A 74 -6.929 0.557 -2.237 1.00 0.00 O ATOM 1194 ND2 ASN A 74 -8.161 -1.065 -3.166 1.00 0.00 N ATOM 0 H ASN A 74 -11.329 2.188 -1.090 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.372 2.357 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.387 0.019 -0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.141 0.261 -2.317 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.353 -1.460 -3.647 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.080 -1.494 -3.276 1.00 0.00 H new ATOM 1201 N LEU A 75 -8.025 2.950 -3.368 1.00 0.00 N ATOM 1202 CA LEU A 75 -7.784 3.509 -4.710 1.00 0.00 C ATOM 1203 C LEU A 75 -7.984 5.021 -4.773 1.00 0.00 C ATOM 1204 O LEU A 75 -8.572 5.622 -3.878 1.00 0.00 O ATOM 1205 CB LEU A 75 -8.665 2.830 -5.770 1.00 0.00 C ATOM 1206 CG LEU A 75 -7.963 1.807 -6.669 1.00 0.00 C ATOM 1207 CD1 LEU A 75 -6.846 2.468 -7.462 1.00 0.00 C ATOM 1208 CD2 LEU A 75 -7.418 0.649 -5.851 1.00 0.00 C ATOM 0 H LEU A 75 -7.166 2.704 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.736 3.305 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.491 2.332 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.099 3.604 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.699 1.413 -7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.360 1.725 -8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.262 3.259 -8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.115 2.894 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.925 -0.063 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.700 1.025 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.238 0.153 -5.331 1.00 0.00 H new ATOM 1220 N TYR A 76 -7.454 5.617 -5.853 1.00 0.00 N ATOM 1221 CA TYR A 76 -7.633 7.035 -6.170 1.00 0.00 C ATOM 1222 C TYR A 76 -6.860 7.943 -5.222 1.00 0.00 C ATOM 1223 O TYR A 76 -7.156 8.031 -4.034 1.00 0.00 O ATOM 1224 CB TYR A 76 -9.113 7.421 -6.188 1.00 0.00 C ATOM 1225 CG TYR A 76 -9.912 6.749 -7.285 1.00 0.00 C ATOM 1226 CD1 TYR A 76 -9.846 7.201 -8.599 1.00 0.00 C ATOM 1227 CD2 TYR A 76 -10.740 5.667 -7.004 1.00 0.00 C ATOM 1228 CE1 TYR A 76 -10.579 6.592 -9.599 1.00 0.00 C ATOM 1229 CE2 TYR A 76 -11.477 5.057 -8.000 1.00 0.00 C ATOM 1230 CZ TYR A 76 -11.393 5.523 -9.295 1.00 0.00 C ATOM 1231 OH TYR A 76 -12.132 4.918 -10.288 1.00 0.00 O ATOM 0 H TYR A 76 -6.883 5.118 -6.536 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.224 7.180 -7.170 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.555 7.169 -5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.195 8.502 -6.303 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.212 8.041 -8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.808 5.298 -5.991 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.514 6.952 -10.615 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.116 4.219 -7.766 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.651 4.180 -9.906 1.00 0.00 H new ATOM 1241 N GLU A 77 -5.854 8.608 -5.772 1.00 0.00 N ATOM 1242 CA GLU A 77 -5.091 9.617 -5.042 1.00 0.00 C ATOM 1243 C GLU A 77 -5.751 10.988 -5.249 1.00 0.00 C ATOM 1244 O GLU A 77 -5.599 11.609 -6.303 1.00 0.00 O ATOM 1245 CB GLU A 77 -3.634 9.613 -5.535 1.00 0.00 C ATOM 1246 CG GLU A 77 -2.627 10.228 -4.571 1.00 0.00 C ATOM 1247 CD GLU A 77 -2.676 11.740 -4.538 1.00 0.00 C ATOM 1248 OE1 GLU A 77 -2.005 12.383 -5.376 1.00 0.00 O ATOM 1249 OE2 GLU A 77 -3.376 12.295 -3.674 1.00 0.00 O ATOM 0 H GLU A 77 -5.543 8.466 -6.733 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.085 9.394 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.338 8.584 -5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.585 10.152 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.813 9.843 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.623 9.910 -4.853 1.00 0.00 H new ATOM 1256 N PRO A 78 -6.547 11.447 -4.267 1.00 0.00 N ATOM 1257 CA PRO A 78 -7.351 12.654 -4.380 1.00 0.00 C ATOM 1258 C PRO A 78 -6.785 13.867 -3.634 1.00 0.00 C ATOM 1259 O PRO A 78 -7.430 14.919 -3.575 1.00 0.00 O ATOM 1260 CB PRO A 78 -8.646 12.193 -3.715 1.00 0.00 C ATOM 1261 CG PRO A 78 -8.226 11.176 -2.685 1.00 0.00 C ATOM 1262 CD PRO A 78 -6.788 10.803 -2.976 1.00 0.00 C ATOM 0 HA PRO A 78 -7.427 13.004 -5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.169 13.029 -3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.328 11.755 -4.444 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.320 11.587 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.867 10.296 -2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.110 11.171 -2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.652 9.723 -3.030 1.00 0.00 H new ATOM 1270 N GLY A 79 -5.597 13.728 -3.067 1.00 0.00 N ATOM 1271 CA GLY A 79 -5.037 14.791 -2.259 1.00 0.00 C ATOM 1272 C GLY A 79 -4.734 14.328 -0.847 1.00 0.00 C ATOM 1273 O GLY A 79 -4.130 13.274 -0.656 1.00 0.00 O ATOM 0 H GLY A 79 -5.010 12.898 -3.152 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.122 15.158 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.735 15.627 -2.225 1.00 0.00 H new ATOM 1277 N ALA A 80 -5.160 15.101 0.145 1.00 0.00 N ATOM 1278 CA ALA A 80 -4.908 14.755 1.537 1.00 0.00 C ATOM 1279 C ALA A 80 -6.023 15.253 2.466 1.00 0.00 C ATOM 1280 O ALA A 80 -6.057 16.433 2.812 1.00 0.00 O ATOM 1281 CB ALA A 80 -3.568 15.336 1.966 1.00 0.00 C ATOM 0 H ALA A 80 -5.680 15.968 0.011 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.886 13.668 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.377 15.079 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.776 14.926 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.590 16.420 1.858 1.00 0.00 H new ATOM 1287 N VAL A 81 -6.944 14.356 2.857 1.00 0.00 N ATOM 1288 CA VAL A 81 -8.000 14.707 3.823 1.00 0.00 C ATOM 1289 C VAL A 81 -8.309 13.570 4.815 1.00 0.00 C ATOM 1290 O VAL A 81 -7.724 13.498 5.896 1.00 0.00 O ATOM 1291 CB VAL A 81 -9.318 15.150 3.145 1.00 0.00 C ATOM 1292 CG1 VAL A 81 -10.426 15.323 4.176 1.00 0.00 C ATOM 1293 CG2 VAL A 81 -9.114 16.453 2.408 1.00 0.00 C ATOM 0 H VAL A 81 -6.980 13.393 2.524 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.588 15.553 4.374 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.610 14.373 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.343 15.635 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.596 14.377 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.133 16.082 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.049 16.754 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.799 17.223 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.347 16.323 1.645 1.00 0.00 H new ATOM 1303 N SER A 82 -9.213 12.676 4.426 1.00 0.00 N ATOM 1304 CA SER A 82 -9.778 11.684 5.336 1.00 0.00 C ATOM 1305 C SER A 82 -8.871 10.475 5.505 1.00 0.00 C ATOM 1306 O SER A 82 -8.815 9.615 4.629 1.00 0.00 O ATOM 1307 CB SER A 82 -11.152 11.236 4.822 1.00 0.00 C ATOM 1308 OG SER A 82 -12.157 12.183 5.153 1.00 0.00 O ATOM 0 H SER A 82 -9.574 12.618 3.474 1.00 0.00 H new ATOM 0 HA SER A 82 -9.879 12.154 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.114 11.105 3.741 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.406 10.267 5.252 1.00 0.00 H new ATOM 0 HG SER A 82 -13.022 11.874 4.812 1.00 0.00 H new ATOM 1314 N GLU A 83 -8.173 10.410 6.634 1.00 0.00 N ATOM 1315 CA GLU A 83 -7.226 9.327 6.899 1.00 0.00 C ATOM 1316 C GLU A 83 -7.897 7.955 6.876 1.00 0.00 C ATOM 1317 O GLU A 83 -8.546 7.538 7.840 1.00 0.00 O ATOM 1318 CB GLU A 83 -6.517 9.534 8.239 1.00 0.00 C ATOM 1319 CG GLU A 83 -5.606 10.748 8.266 1.00 0.00 C ATOM 1320 CD GLU A 83 -4.778 10.823 9.533 1.00 0.00 C ATOM 1321 OE1 GLU A 83 -5.264 11.395 10.532 1.00 0.00 O ATOM 1322 OE2 GLU A 83 -3.638 10.313 9.534 1.00 0.00 O ATOM 0 H GLU A 83 -8.244 11.097 7.385 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.489 9.354 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.266 9.635 9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.930 8.645 8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.941 10.719 7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.208 11.652 8.175 1.00 0.00 H new ATOM 1329 N PHE A 84 -7.747 7.273 5.752 1.00 0.00 N ATOM 1330 CA PHE A 84 -8.182 5.898 5.602 1.00 0.00 C ATOM 1331 C PHE A 84 -6.980 4.976 5.682 1.00 0.00 C ATOM 1332 O PHE A 84 -5.873 5.431 5.945 1.00 0.00 O ATOM 1333 CB PHE A 84 -8.913 5.719 4.278 1.00 0.00 C ATOM 1334 CG PHE A 84 -10.329 6.210 4.340 1.00 0.00 C ATOM 1335 CD1 PHE A 84 -11.283 5.508 5.057 1.00 0.00 C ATOM 1336 CD2 PHE A 84 -10.702 7.379 3.700 1.00 0.00 C ATOM 1337 CE1 PHE A 84 -12.586 5.961 5.132 1.00 0.00 C ATOM 1338 CE2 PHE A 84 -12.002 7.839 3.773 1.00 0.00 C ATOM 1339 CZ PHE A 84 -12.946 7.129 4.489 1.00 0.00 C ATOM 0 H PHE A 84 -7.317 7.663 4.913 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.873 5.646 6.407 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.378 6.256 3.495 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -8.908 4.665 4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.005 4.596 5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.969 7.937 3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.322 5.403 5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -12.280 8.754 3.270 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.964 7.487 4.546 1.00 0.00 H new ATOM 1349 N TYR A 85 -7.178 3.694 5.452 1.00 0.00 N ATOM 1350 CA TYR A 85 -6.075 2.753 5.528 1.00 0.00 C ATOM 1351 C TYR A 85 -6.293 1.572 4.596 1.00 0.00 C ATOM 1352 O TYR A 85 -7.378 0.997 4.544 1.00 0.00 O ATOM 1353 CB TYR A 85 -5.855 2.275 6.964 1.00 0.00 C ATOM 1354 CG TYR A 85 -7.000 1.479 7.512 1.00 0.00 C ATOM 1355 CD1 TYR A 85 -8.219 2.080 7.765 1.00 0.00 C ATOM 1356 CD2 TYR A 85 -6.867 0.126 7.756 1.00 0.00 C ATOM 1357 CE1 TYR A 85 -9.278 1.357 8.250 1.00 0.00 C ATOM 1358 CE2 TYR A 85 -7.920 -0.613 8.240 1.00 0.00 C ATOM 1359 CZ TYR A 85 -9.131 0.006 8.488 1.00 0.00 C ATOM 1360 OH TYR A 85 -10.197 -0.721 8.972 1.00 0.00 O ATOM 0 H TYR A 85 -8.080 3.282 5.214 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.175 3.276 5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.950 1.668 7.002 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.685 3.141 7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -8.339 3.137 7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.921 -0.359 7.564 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -10.223 1.843 8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.802 -1.670 8.425 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.930 -1.657 9.084 1.00 0.00 H new ATOM 1370 N ILE A 86 -5.260 1.245 3.844 1.00 0.00 N ATOM 1371 CA ILE A 86 -5.273 0.103 2.944 1.00 0.00 C ATOM 1372 C ILE A 86 -4.171 -0.854 3.360 1.00 0.00 C ATOM 1373 O ILE A 86 -2.989 -0.502 3.322 1.00 0.00 O ATOM 1374 CB ILE A 86 -5.046 0.548 1.489 1.00 0.00 C ATOM 1375 CG1 ILE A 86 -6.151 1.501 1.060 1.00 0.00 C ATOM 1376 CG2 ILE A 86 -4.994 -0.652 0.563 1.00 0.00 C ATOM 1377 CD1 ILE A 86 -7.529 0.928 1.279 1.00 0.00 C ATOM 0 H ILE A 86 -4.383 1.765 3.839 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.245 -0.386 3.002 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.089 1.065 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.057 2.434 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.026 1.745 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.833 -0.315 -0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.176 -1.307 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.936 -1.198 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.279 1.650 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.637 0.010 0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.668 0.710 2.338 1.00 0.00 H new ATOM 1389 N GLU A 87 -4.556 -2.043 3.782 1.00 0.00 N ATOM 1390 CA GLU A 87 -3.595 -2.998 4.290 1.00 0.00 C ATOM 1391 C GLU A 87 -3.488 -4.199 3.370 1.00 0.00 C ATOM 1392 O GLU A 87 -4.467 -4.910 3.130 1.00 0.00 O ATOM 1393 CB GLU A 87 -3.970 -3.453 5.701 1.00 0.00 C ATOM 1394 CG GLU A 87 -2.966 -4.417 6.310 1.00 0.00 C ATOM 1395 CD GLU A 87 -3.293 -4.772 7.743 1.00 0.00 C ATOM 1396 OE1 GLU A 87 -2.821 -4.060 8.659 1.00 0.00 O ATOM 1397 OE2 GLU A 87 -4.004 -5.770 7.965 1.00 0.00 O ATOM 0 H GLU A 87 -5.523 -2.368 3.783 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.625 -2.502 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.060 -2.578 6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.950 -3.930 5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.935 -5.328 5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.971 -3.974 6.268 1.00 0.00 H new ATOM 1404 N ILE A 88 -2.296 -4.405 2.843 1.00 0.00 N ATOM 1405 CA ILE A 88 -2.006 -5.566 2.031 1.00 0.00 C ATOM 1406 C ILE A 88 -1.115 -6.509 2.817 1.00 0.00 C ATOM 1407 O ILE A 88 -0.090 -6.098 3.369 1.00 0.00 O ATOM 1408 CB ILE A 88 -1.315 -5.200 0.693 1.00 0.00 C ATOM 1409 CG1 ILE A 88 -2.269 -4.439 -0.237 1.00 0.00 C ATOM 1410 CG2 ILE A 88 -0.788 -6.445 -0.004 1.00 0.00 C ATOM 1411 CD1 ILE A 88 -2.470 -2.989 0.138 1.00 0.00 C ATOM 0 H ILE A 88 -1.505 -3.773 2.967 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.955 -6.042 1.784 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.474 -4.548 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.884 -4.490 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.237 -4.941 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.308 -6.162 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.063 -6.943 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.615 -7.124 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.157 -2.522 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.886 -2.928 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.512 -2.470 0.109 1.00 0.00 H new ATOM 1423 N THR A 89 -1.515 -7.758 2.889 1.00 0.00 N ATOM 1424 CA THR A 89 -0.750 -8.749 3.603 1.00 0.00 C ATOM 1425 C THR A 89 0.125 -9.519 2.620 1.00 0.00 C ATOM 1426 O THR A 89 -0.213 -9.631 1.439 1.00 0.00 O ATOM 1427 CB THR A 89 -1.685 -9.711 4.364 1.00 0.00 C ATOM 1428 OG1 THR A 89 -2.607 -8.949 5.156 1.00 0.00 O ATOM 1429 CG2 THR A 89 -0.898 -10.644 5.273 1.00 0.00 C ATOM 0 H THR A 89 -2.370 -8.111 2.459 1.00 0.00 H new ATOM 0 HA THR A 89 -0.113 -8.250 4.334 1.00 0.00 H new ATOM 0 HB THR A 89 -2.221 -10.315 3.632 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.204 -9.558 5.640 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.586 -11.309 5.795 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.205 -11.236 4.675 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.339 -10.056 6.001 1.00 0.00 H new ATOM 1437 N GLU A 90 1.274 -9.983 3.097 1.00 0.00 N ATOM 1438 CA GLU A 90 2.156 -10.830 2.311 1.00 0.00 C ATOM 1439 C GLU A 90 1.374 -11.961 1.666 1.00 0.00 C ATOM 1440 O GLU A 90 0.735 -12.750 2.366 1.00 0.00 O ATOM 1441 CB GLU A 90 3.235 -11.408 3.213 1.00 0.00 C ATOM 1442 CG GLU A 90 4.173 -12.370 2.520 1.00 0.00 C ATOM 1443 CD GLU A 90 5.123 -13.014 3.494 1.00 0.00 C ATOM 1444 OE1 GLU A 90 4.679 -13.880 4.277 1.00 0.00 O ATOM 1445 OE2 GLU A 90 6.311 -12.650 3.497 1.00 0.00 O ATOM 0 H GLU A 90 1.617 -9.782 4.036 1.00 0.00 H new ATOM 0 HA GLU A 90 2.613 -10.229 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.818 -10.589 3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.758 -11.921 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.594 -13.141 2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.739 -11.839 1.755 1.00 0.00 H new ATOM 1452 N ILE A 91 1.421 -12.026 0.342 1.00 0.00 N ATOM 1453 CA ILE A 91 0.733 -13.071 -0.389 1.00 0.00 C ATOM 1454 C ILE A 91 1.233 -14.442 0.042 1.00 0.00 C ATOM 1455 O ILE A 91 2.439 -14.700 0.080 1.00 0.00 O ATOM 1456 CB ILE A 91 0.893 -12.917 -1.918 1.00 0.00 C ATOM 1457 CG1 ILE A 91 0.175 -14.066 -2.635 1.00 0.00 C ATOM 1458 CG2 ILE A 91 2.364 -12.861 -2.316 1.00 0.00 C ATOM 1459 CD1 ILE A 91 0.383 -14.083 -4.131 1.00 0.00 C ATOM 0 H ILE A 91 1.930 -11.365 -0.244 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.327 -12.977 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 91 0.437 -11.974 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.521 -15.012 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.893 -13.999 -2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.444 -12.752 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.840 -12.010 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.860 -13.781 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.157 -14.925 -4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.010 -13.153 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.446 -14.183 -4.349 1.00 0.00 H new ATOM 1471 N ASP A 92 0.301 -15.301 0.405 1.00 0.00 N ATOM 1472 CA ASP A 92 0.635 -16.655 0.791 1.00 0.00 C ATOM 1473 C ASP A 92 0.226 -17.624 -0.300 1.00 0.00 C ATOM 1474 O ASP A 92 -0.235 -17.217 -1.370 1.00 0.00 O ATOM 1475 CB ASP A 92 -0.046 -17.042 2.109 1.00 0.00 C ATOM 1476 CG ASP A 92 0.474 -16.261 3.301 1.00 0.00 C ATOM 1477 OD1 ASP A 92 1.674 -16.396 3.632 1.00 0.00 O ATOM 1478 OD2 ASP A 92 -0.317 -15.533 3.938 1.00 0.00 O ATOM 0 H ASP A 92 -0.695 -15.084 0.440 1.00 0.00 H new ATOM 0 HA ASP A 92 1.714 -16.705 0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.120 -16.880 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.102 -18.107 2.288 1.00 0.00 H new ATOM 1483 N LYS A 93 0.361 -18.906 -0.011 1.00 0.00 N ATOM 1484 CA LYS A 93 0.033 -19.955 -0.963 1.00 0.00 C ATOM 1485 C LYS A 93 -1.481 -20.170 -1.020 1.00 0.00 C ATOM 1486 O LYS A 93 -1.978 -21.152 -1.569 1.00 0.00 O ATOM 1487 CB LYS A 93 0.764 -21.237 -0.559 1.00 0.00 C ATOM 1488 CG LYS A 93 0.782 -22.325 -1.617 1.00 0.00 C ATOM 1489 CD LYS A 93 1.739 -23.435 -1.223 1.00 0.00 C ATOM 1490 CE LYS A 93 1.735 -24.576 -2.225 1.00 0.00 C ATOM 1491 NZ LYS A 93 2.800 -25.571 -1.929 1.00 0.00 N ATOM 0 H LYS A 93 0.700 -19.250 0.887 1.00 0.00 H new ATOM 0 HA LYS A 93 0.357 -19.664 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.793 -20.985 -0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.297 -21.635 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.221 -22.731 -1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.081 -21.903 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.748 -23.030 -1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.466 -23.816 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.763 -25.069 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.877 -24.178 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.767 -26.335 -2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.730 -25.106 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.650 -25.969 -0.980 1.00 0.00 H new ATOM 1505 N ASN A 94 -2.195 -19.216 -0.458 1.00 0.00 N ATOM 1506 CA ASN A 94 -3.651 -19.236 -0.424 1.00 0.00 C ATOM 1507 C ASN A 94 -4.230 -18.795 -1.767 1.00 0.00 C ATOM 1508 O ASN A 94 -5.202 -19.372 -2.257 1.00 0.00 O ATOM 1509 CB ASN A 94 -4.162 -18.314 0.687 1.00 0.00 C ATOM 1510 CG ASN A 94 -5.674 -18.337 0.817 1.00 0.00 C ATOM 1511 OD1 ASN A 94 -6.313 -19.366 0.607 1.00 0.00 O ATOM 1512 ND2 ASN A 94 -6.257 -17.202 1.171 1.00 0.00 N ATOM 0 H ASN A 94 -1.783 -18.398 -0.008 1.00 0.00 H new ATOM 0 HA ASN A 94 -3.975 -20.257 -0.224 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -3.715 -18.612 1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.834 -17.294 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.271 -17.161 1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -5.693 -16.369 1.337 1.00 0.00 H new ATOM 1519 N ALA A 95 -3.623 -17.773 -2.360 1.00 0.00 N ATOM 1520 CA ALA A 95 -4.097 -17.236 -3.630 1.00 0.00 C ATOM 1521 C ALA A 95 -3.660 -18.132 -4.785 1.00 0.00 C ATOM 1522 O ALA A 95 -4.456 -18.912 -5.310 1.00 0.00 O ATOM 1523 CB ALA A 95 -3.598 -15.809 -3.826 1.00 0.00 C ATOM 0 H ALA A 95 -2.802 -17.300 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.187 -17.213 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.961 -15.424 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.967 -15.180 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.508 -15.801 -3.823 1.00 0.00 H new ATOM 1529 N ASP A 96 -2.395 -18.027 -5.163 1.00 0.00 N ATOM 1530 CA ASP A 96 -1.820 -18.889 -6.190 1.00 0.00 C ATOM 1531 C ASP A 96 -0.442 -19.341 -5.753 1.00 0.00 C ATOM 1532 O ASP A 96 0.099 -18.836 -4.769 1.00 0.00 O ATOM 1533 CB ASP A 96 -1.700 -18.177 -7.544 1.00 0.00 C ATOM 1534 CG ASP A 96 -3.035 -17.894 -8.210 1.00 0.00 C ATOM 1535 OD1 ASP A 96 -3.731 -18.857 -8.596 1.00 0.00 O ATOM 1536 OD2 ASP A 96 -3.372 -16.705 -8.395 1.00 0.00 O ATOM 0 H ASP A 96 -1.741 -17.349 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.489 -19.741 -6.314 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.169 -17.236 -7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -1.094 -18.788 -8.213 1.00 0.00 H new ATOM 1541 N SER A 97 0.126 -20.283 -6.482 1.00 0.00 N ATOM 1542 CA SER A 97 1.475 -20.745 -6.200 1.00 0.00 C ATOM 1543 C SER A 97 2.216 -21.018 -7.497 1.00 0.00 C ATOM 1544 O SER A 97 3.251 -21.685 -7.515 1.00 0.00 O ATOM 1545 CB SER A 97 1.445 -22.000 -5.323 1.00 0.00 C ATOM 1546 OG SER A 97 2.757 -22.415 -4.973 1.00 0.00 O ATOM 0 H SER A 97 -0.324 -20.744 -7.273 1.00 0.00 H new ATOM 0 HA SER A 97 2.003 -19.963 -5.654 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.871 -21.801 -4.418 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.936 -22.805 -5.853 1.00 0.00 H new ATOM 0 HG SER A 97 3.323 -22.419 -5.773 1.00 0.00 H new ATOM 1552 N LEU A 98 1.693 -20.475 -8.577 1.00 0.00 N ATOM 1553 CA LEU A 98 2.281 -20.681 -9.884 1.00 0.00 C ATOM 1554 C LEU A 98 3.147 -19.486 -10.257 1.00 0.00 C ATOM 1555 O LEU A 98 2.648 -18.455 -10.715 1.00 0.00 O ATOM 1556 CB LEU A 98 1.192 -20.911 -10.935 1.00 0.00 C ATOM 1557 CG LEU A 98 1.701 -21.259 -12.336 1.00 0.00 C ATOM 1558 CD1 LEU A 98 2.606 -22.483 -12.292 1.00 0.00 C ATOM 1559 CD2 LEU A 98 0.531 -21.501 -13.275 1.00 0.00 C ATOM 0 H LEU A 98 0.860 -19.886 -8.575 1.00 0.00 H new ATOM 0 HA LEU A 98 2.909 -21.571 -9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.542 -21.716 -10.592 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.578 -20.013 -11.002 1.00 0.00 H new ATOM 0 HG LEU A 98 2.283 -20.417 -12.710 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.956 -22.713 -13.298 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.461 -22.280 -11.647 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.049 -23.333 -11.899 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.906 -21.748 -14.268 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.072 -22.328 -12.899 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.082 -20.601 -13.332 1.00 0.00 H new ATOM 1571 N GLU A 99 4.443 -19.623 -10.025 1.00 0.00 N ATOM 1572 CA GLU A 99 5.386 -18.548 -10.291 1.00 0.00 C ATOM 1573 C GLU A 99 5.609 -18.344 -11.781 1.00 0.00 C ATOM 1574 O GLU A 99 6.274 -19.144 -12.435 1.00 0.00 O ATOM 1575 CB GLU A 99 6.733 -18.823 -9.629 1.00 0.00 C ATOM 1576 CG GLU A 99 6.763 -18.564 -8.136 1.00 0.00 C ATOM 1577 CD GLU A 99 8.181 -18.482 -7.615 1.00 0.00 C ATOM 1578 OE1 GLU A 99 8.925 -17.585 -8.065 1.00 0.00 O ATOM 1579 OE2 GLU A 99 8.574 -19.327 -6.783 1.00 0.00 O ATOM 0 H GLU A 99 4.867 -20.472 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 99 4.947 -17.643 -9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.008 -19.862 -9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.492 -18.204 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.239 -17.633 -7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.229 -19.360 -7.617 1.00 0.00 H new ATOM 1586 N HIS A 100 5.058 -17.265 -12.306 1.00 0.00 N ATOM 1587 CA HIS A 100 5.360 -16.845 -13.663 1.00 0.00 C ATOM 1588 C HIS A 100 6.480 -15.814 -13.635 1.00 0.00 C ATOM 1589 O HIS A 100 6.393 -14.769 -14.274 1.00 0.00 O ATOM 1590 CB HIS A 100 4.122 -16.257 -14.348 1.00 0.00 C ATOM 1591 CG HIS A 100 3.098 -17.276 -14.744 1.00 0.00 C ATOM 1592 ND1 HIS A 100 3.390 -18.366 -15.534 1.00 0.00 N ATOM 1593 CD2 HIS A 100 1.775 -17.359 -14.469 1.00 0.00 C ATOM 1594 CE1 HIS A 100 2.295 -19.072 -15.729 1.00 0.00 C ATOM 1595 NE2 HIS A 100 1.299 -18.487 -15.095 1.00 0.00 N ATOM 0 H HIS A 100 4.398 -16.663 -11.813 1.00 0.00 H new ATOM 0 HA HIS A 100 5.677 -17.717 -14.235 1.00 0.00 H new ATOM 0 HB2 HIS A 100 3.658 -15.534 -13.677 1.00 0.00 H new ATOM 0 HB3 HIS A 100 4.437 -15.711 -15.237 1.00 0.00 H new ATOM 0 HD2 HIS A 100 1.201 -16.668 -13.870 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.225 -19.979 -16.311 1.00 0.00 H new ATOM 0 HE2 HIS A 100 0.334 -18.817 -15.072 1.00 0.00 H new ATOM 1604 N HIS A 101 7.535 -16.122 -12.884 1.00 0.00 N ATOM 1605 CA HIS A 101 8.654 -15.199 -12.716 1.00 0.00 C ATOM 1606 C HIS A 101 9.390 -14.969 -14.036 1.00 0.00 C ATOM 1607 O HIS A 101 10.215 -15.777 -14.458 1.00 0.00 O ATOM 1608 CB HIS A 101 9.625 -15.673 -11.610 1.00 0.00 C ATOM 1609 CG HIS A 101 9.985 -17.140 -11.633 1.00 0.00 C ATOM 1610 ND1 HIS A 101 9.834 -17.962 -10.535 1.00 0.00 N ATOM 1611 CD2 HIS A 101 10.514 -17.921 -12.608 1.00 0.00 C ATOM 1612 CE1 HIS A 101 10.247 -19.178 -10.837 1.00 0.00 C ATOM 1613 NE2 HIS A 101 10.664 -19.181 -12.087 1.00 0.00 N ATOM 0 H HIS A 101 7.638 -17.004 -12.382 1.00 0.00 H new ATOM 0 HA HIS A 101 8.238 -14.243 -12.397 1.00 0.00 H new ATOM 0 HB2 HIS A 101 10.544 -15.092 -11.687 1.00 0.00 H new ATOM 0 HB3 HIS A 101 9.182 -15.442 -10.641 1.00 0.00 H new ATOM 0 HD1 HIS A 101 9.461 -17.674 -9.630 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.770 -17.608 -13.610 1.00 0.00 H new ATOM 0 HE1 HIS A 101 10.244 -20.028 -10.171 1.00 0.00 H new ATOM 1622 N HIS A 102 9.057 -13.873 -14.699 1.00 0.00 N ATOM 1623 CA HIS A 102 9.707 -13.498 -15.944 1.00 0.00 C ATOM 1624 C HIS A 102 10.272 -12.095 -15.829 1.00 0.00 C ATOM 1625 O HIS A 102 9.523 -11.126 -15.745 1.00 0.00 O ATOM 1626 CB HIS A 102 8.723 -13.537 -17.120 1.00 0.00 C ATOM 1627 CG HIS A 102 8.123 -14.881 -17.383 1.00 0.00 C ATOM 1628 ND1 HIS A 102 6.769 -15.115 -17.336 1.00 0.00 N ATOM 1629 CD2 HIS A 102 8.693 -16.056 -17.732 1.00 0.00 C ATOM 1630 CE1 HIS A 102 6.531 -16.374 -17.637 1.00 0.00 C ATOM 1631 NE2 HIS A 102 7.680 -16.971 -17.886 1.00 0.00 N ATOM 0 H HIS A 102 8.334 -13.223 -14.392 1.00 0.00 H new ATOM 0 HA HIS A 102 10.507 -14.215 -16.129 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.920 -12.826 -16.929 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.238 -13.201 -18.020 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.749 -16.241 -17.865 1.00 0.00 H new ATOM 0 HE1 HIS A 102 5.557 -16.840 -17.674 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.797 -17.949 -18.149 1.00 0.00 H new ATOM 1640 N HIS A 103 11.587 -11.982 -15.793 1.00 0.00 N ATOM 1641 CA HIS A 103 12.217 -10.675 -15.816 1.00 0.00 C ATOM 1642 C HIS A 103 13.376 -10.663 -16.803 1.00 0.00 C ATOM 1643 O HIS A 103 14.344 -11.403 -16.655 1.00 0.00 O ATOM 1644 CB HIS A 103 12.671 -10.228 -14.407 1.00 0.00 C ATOM 1645 CG HIS A 103 13.772 -11.046 -13.786 1.00 0.00 C ATOM 1646 ND1 HIS A 103 15.052 -10.563 -13.596 1.00 0.00 N ATOM 1647 CD2 HIS A 103 13.771 -12.301 -13.280 1.00 0.00 C ATOM 1648 CE1 HIS A 103 15.786 -11.487 -13.009 1.00 0.00 C ATOM 1649 NE2 HIS A 103 15.035 -12.550 -12.803 1.00 0.00 N ATOM 0 H HIS A 103 12.233 -12.770 -15.748 1.00 0.00 H new ATOM 0 HA HIS A 103 11.473 -9.952 -16.150 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.002 -9.191 -14.464 1.00 0.00 H new ATOM 0 HB3 HIS A 103 11.807 -10.251 -13.743 1.00 0.00 H new ATOM 0 HD1 HIS A 103 15.378 -9.636 -13.868 1.00 0.00 H new ATOM 0 HD2 HIS A 103 12.932 -12.981 -13.256 1.00 0.00 H new ATOM 0 HE1 HIS A 103 16.828 -11.389 -12.742 1.00 0.00 H new ATOM 1658 N HIS A 104 13.252 -9.827 -17.826 1.00 0.00 N ATOM 1659 CA HIS A 104 14.300 -9.676 -18.828 1.00 0.00 C ATOM 1660 C HIS A 104 15.322 -8.651 -18.339 1.00 0.00 C ATOM 1661 O HIS A 104 16.202 -8.208 -19.076 1.00 0.00 O ATOM 1662 CB HIS A 104 13.681 -9.244 -20.165 1.00 0.00 C ATOM 1663 CG HIS A 104 14.629 -9.280 -21.327 1.00 0.00 C ATOM 1664 ND1 HIS A 104 15.159 -8.143 -21.901 1.00 0.00 N ATOM 1665 CD2 HIS A 104 15.126 -10.322 -22.036 1.00 0.00 C ATOM 1666 CE1 HIS A 104 15.939 -8.483 -22.908 1.00 0.00 C ATOM 1667 NE2 HIS A 104 15.935 -9.797 -23.011 1.00 0.00 N ATOM 0 H HIS A 104 12.432 -9.241 -17.984 1.00 0.00 H new ATOM 0 HA HIS A 104 14.808 -10.628 -18.981 1.00 0.00 H new ATOM 0 HB2 HIS A 104 12.832 -9.891 -20.384 1.00 0.00 H new ATOM 0 HB3 HIS A 104 13.291 -8.231 -20.061 1.00 0.00 H new ATOM 0 HD2 HIS A 104 14.923 -11.369 -21.865 1.00 0.00 H new ATOM 0 HE1 HIS A 104 16.488 -7.801 -23.541 1.00 0.00 H new ATOM 0 HE2 HIS A 104 16.451 -10.337 -23.705 1.00 0.00 H new ATOM 1676 N HIS A 105 15.191 -8.292 -17.074 1.00 0.00 N ATOM 1677 CA HIS A 105 16.071 -7.336 -16.439 1.00 0.00 C ATOM 1678 C HIS A 105 16.421 -7.841 -15.046 1.00 0.00 C ATOM 1679 O HIS A 105 17.606 -8.112 -14.786 1.00 0.00 O ATOM 1680 CB HIS A 105 15.395 -5.964 -16.359 1.00 0.00 C ATOM 1681 CG HIS A 105 16.277 -4.885 -15.811 1.00 0.00 C ATOM 1682 ND1 HIS A 105 16.225 -4.465 -14.501 1.00 0.00 N ATOM 1683 CD2 HIS A 105 17.233 -4.137 -16.408 1.00 0.00 C ATOM 1684 CE1 HIS A 105 17.108 -3.501 -14.317 1.00 0.00 C ATOM 1685 NE2 HIS A 105 17.734 -3.284 -15.458 1.00 0.00 N ATOM 1686 OXT HIS A 105 15.490 -8.009 -14.233 1.00 0.00 O ATOM 0 H HIS A 105 14.466 -8.660 -16.458 1.00 0.00 H new ATOM 0 HA HIS A 105 16.983 -7.228 -17.026 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.061 -5.676 -17.356 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.505 -6.044 -15.735 1.00 0.00 H new ATOM 0 HD2 HIS A 105 17.544 -4.200 -17.440 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.288 -2.978 -13.389 1.00 0.00 H new ATOM 0 HE2 HIS A 105 18.470 -2.594 -15.609 1.00 0.00 H new TER 1695 HIS A 105