USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 937 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 10 ASN : amide:sc= -0.372 K(o=-0.69,f=-4.4!) USER MOD Set 1.2: A 40 CYS SG : rot 180:sc= -0.314 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 5 SER OG : rot 46:sc= 0.749 USER MOD Single : A 6 SER OG : rot 27:sc= 0.186 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.75) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -150:sc= -0.99 (180deg=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ -131:sc= -2.55! (180deg=-4.23!) USER MOD Single : A 27 HIS : no HD1:sc= -2.48 X(o=-2.5,f=-2.2) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc=-0.00404 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -62:sc= 0.475 USER MOD Single : A 45 LYS NZ :NH3+ -108:sc= 0.494 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0548 X(o=-0.055,f=-0.0078) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -22:sc= 0.0535 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.8 K(o=-0.8,f=-4.8!) USER MOD Single : A 67 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-4.8!) USER MOD Single : A 72 CYS SG : rot 114:sc= 0.168 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 77 HIS : no HD1:sc= -0.406 K(o=-0.41,f=-1.3) USER MOD Single : A 78 LYS NZ :NH3+ -153:sc= -0.84 (180deg=-2.43!) USER MOD Single : A 80 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.053) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 93 GLN : amide:sc= -1.75! C(o=-1.8!,f=-1.5!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 95 TYR OH : rot 132:sc= 1.07 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot -177:sc= -0.29 USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.113) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.109 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 GLN : amide:sc= -1.02 K(o=-1,f=-3.7) USER MOD Single : A 113 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.18) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 31:sc= 0.13 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.939 -3.715 -5.389 1.00 0.00 N ATOM 2 CA GLY A 1 21.640 -4.235 -5.775 1.00 0.00 C ATOM 3 C GLY A 1 21.664 -5.730 -6.021 1.00 0.00 C ATOM 4 O GLY A 1 22.003 -6.181 -7.115 1.00 0.00 O ATOM 0 H1 GLY A 1 22.870 -2.689 -5.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.252 -4.179 -4.512 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.627 -3.904 -6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.915 -4.010 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.302 -3.727 -6.678 1.00 0.00 H new ATOM 8 N SER A 2 21.304 -6.502 -5.000 1.00 0.00 N ATOM 9 CA SER A 2 21.290 -7.956 -5.109 1.00 0.00 C ATOM 10 C SER A 2 19.865 -8.494 -5.033 1.00 0.00 C ATOM 11 O SER A 2 19.328 -8.708 -3.946 1.00 0.00 O ATOM 12 CB SER A 2 22.143 -8.579 -4.002 1.00 0.00 C ATOM 13 OG SER A 2 22.534 -9.898 -4.341 1.00 0.00 O ATOM 0 H SER A 2 21.018 -6.145 -4.088 1.00 0.00 H new ATOM 0 HA SER A 2 21.710 -8.227 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.028 -7.966 -3.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.580 -8.592 -3.069 1.00 0.00 H new ATOM 0 HG SER A 2 23.079 -10.273 -3.618 1.00 0.00 H new ATOM 19 N SER A 3 19.257 -8.709 -6.195 1.00 0.00 N ATOM 20 CA SER A 3 17.892 -9.218 -6.261 1.00 0.00 C ATOM 21 C SER A 3 17.856 -10.715 -5.971 1.00 0.00 C ATOM 22 O SER A 3 16.804 -11.349 -6.049 1.00 0.00 O ATOM 23 CB SER A 3 17.288 -8.939 -7.639 1.00 0.00 C ATOM 24 OG SER A 3 18.231 -9.180 -8.668 1.00 0.00 O ATOM 0 H SER A 3 19.688 -8.539 -7.104 1.00 0.00 H new ATOM 0 HA SER A 3 17.301 -8.705 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.412 -9.570 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.948 -7.904 -7.688 1.00 0.00 H new ATOM 0 HG SER A 3 17.820 -8.996 -9.538 1.00 0.00 H new ATOM 30 N GLY A 4 19.015 -11.275 -5.637 1.00 0.00 N ATOM 31 CA GLY A 4 19.095 -12.694 -5.341 1.00 0.00 C ATOM 32 C GLY A 4 20.308 -13.043 -4.501 1.00 0.00 C ATOM 33 O GLY A 4 21.442 -12.957 -4.972 1.00 0.00 O ATOM 0 H GLY A 4 19.899 -10.772 -5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.192 -13.004 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.129 -13.256 -6.275 1.00 0.00 H new ATOM 37 N SER A 5 20.069 -13.437 -3.255 1.00 0.00 N ATOM 38 CA SER A 5 21.152 -13.795 -2.346 1.00 0.00 C ATOM 39 C SER A 5 20.839 -15.097 -1.615 1.00 0.00 C ATOM 40 O SER A 5 20.165 -15.097 -0.585 1.00 0.00 O ATOM 41 CB SER A 5 21.389 -12.673 -1.334 1.00 0.00 C ATOM 42 OG SER A 5 20.212 -12.395 -0.595 1.00 0.00 O ATOM 0 H SER A 5 19.136 -13.517 -2.851 1.00 0.00 H new ATOM 0 HA SER A 5 22.057 -13.938 -2.937 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.191 -12.957 -0.653 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.716 -11.773 -1.854 1.00 0.00 H new ATOM 0 HG SER A 5 19.809 -13.236 -0.294 1.00 0.00 H new ATOM 48 N SER A 6 21.335 -16.206 -2.155 1.00 0.00 N ATOM 49 CA SER A 6 21.105 -17.516 -1.558 1.00 0.00 C ATOM 50 C SER A 6 19.649 -17.672 -1.132 1.00 0.00 C ATOM 51 O SER A 6 19.357 -18.175 -0.048 1.00 0.00 O ATOM 52 CB SER A 6 22.025 -17.718 -0.352 1.00 0.00 C ATOM 53 OG SER A 6 21.946 -16.619 0.539 1.00 0.00 O ATOM 0 H SER A 6 21.899 -16.223 -3.005 1.00 0.00 H new ATOM 0 HA SER A 6 21.328 -18.274 -2.309 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.749 -18.634 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.053 -17.842 -0.692 1.00 0.00 H new ATOM 0 HG SER A 6 21.069 -16.191 0.453 1.00 0.00 H new ATOM 59 N GLY A 7 18.736 -17.237 -1.996 1.00 0.00 N ATOM 60 CA GLY A 7 17.321 -17.336 -1.693 1.00 0.00 C ATOM 61 C GLY A 7 16.459 -17.327 -2.940 1.00 0.00 C ATOM 62 O GLY A 7 16.897 -16.931 -4.021 1.00 0.00 O ATOM 0 H GLY A 7 18.952 -16.818 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.136 -18.253 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.032 -16.506 -1.049 1.00 0.00 H new ATOM 66 N PRO A 8 15.203 -17.775 -2.799 1.00 0.00 N ATOM 67 CA PRO A 8 14.251 -17.829 -3.913 1.00 0.00 C ATOM 68 C PRO A 8 13.810 -16.441 -4.366 1.00 0.00 C ATOM 69 O PRO A 8 14.003 -15.455 -3.655 1.00 0.00 O ATOM 70 CB PRO A 8 13.066 -18.603 -3.331 1.00 0.00 C ATOM 71 CG PRO A 8 13.149 -18.373 -1.861 1.00 0.00 C ATOM 72 CD PRO A 8 14.614 -18.263 -1.541 1.00 0.00 C ATOM 0 HA PRO A 8 14.686 -18.292 -4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.120 -18.242 -3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.131 -19.665 -3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.618 -17.464 -1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.690 -19.195 -1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.795 -17.571 -0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.034 -19.225 -1.247 1.00 0.00 H new ATOM 80 N TYR A 9 13.216 -16.372 -5.552 1.00 0.00 N ATOM 81 CA TYR A 9 12.749 -15.105 -6.101 1.00 0.00 C ATOM 82 C TYR A 9 11.237 -15.123 -6.303 1.00 0.00 C ATOM 83 O TYR A 9 10.726 -14.593 -7.289 1.00 0.00 O ATOM 84 CB TYR A 9 13.450 -14.810 -7.428 1.00 0.00 C ATOM 85 CG TYR A 9 13.357 -15.942 -8.426 1.00 0.00 C ATOM 86 CD1 TYR A 9 14.207 -17.038 -8.344 1.00 0.00 C ATOM 87 CD2 TYR A 9 12.420 -15.916 -9.451 1.00 0.00 C ATOM 88 CE1 TYR A 9 14.127 -18.075 -9.253 1.00 0.00 C ATOM 89 CE2 TYR A 9 12.331 -16.949 -10.364 1.00 0.00 C ATOM 90 CZ TYR A 9 13.187 -18.026 -10.261 1.00 0.00 C ATOM 91 OH TYR A 9 13.102 -19.056 -11.170 1.00 0.00 O ATOM 0 H TYR A 9 13.046 -17.179 -6.152 1.00 0.00 H new ATOM 0 HA TYR A 9 12.992 -14.318 -5.388 1.00 0.00 H new ATOM 0 HB2 TYR A 9 13.015 -13.912 -7.868 1.00 0.00 H new ATOM 0 HB3 TYR A 9 14.500 -14.593 -7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 9 14.944 -17.080 -7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.749 -15.074 -9.536 1.00 0.00 H new ATOM 0 HE1 TYR A 9 14.796 -18.919 -9.175 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.595 -16.914 -11.154 1.00 0.00 H new ATOM 0 HH TYR A 9 12.388 -18.866 -11.814 1.00 0.00 H new ATOM 101 N ASN A 10 10.528 -15.737 -5.362 1.00 0.00 N ATOM 102 CA ASN A 10 9.074 -15.825 -5.436 1.00 0.00 C ATOM 103 C ASN A 10 8.426 -14.519 -4.986 1.00 0.00 C ATOM 104 O ASN A 10 7.522 -14.517 -4.150 1.00 0.00 O ATOM 105 CB ASN A 10 8.568 -16.983 -4.573 1.00 0.00 C ATOM 106 CG ASN A 10 7.251 -17.544 -5.072 1.00 0.00 C ATOM 107 OD1 ASN A 10 6.466 -16.841 -5.710 1.00 0.00 O ATOM 108 ND2 ASN A 10 7.002 -18.815 -4.783 1.00 0.00 N ATOM 0 H ASN A 10 10.936 -16.181 -4.539 1.00 0.00 H new ATOM 0 HA ASN A 10 8.798 -16.007 -6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.316 -17.776 -4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.448 -16.641 -3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.131 -19.247 -5.092 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.681 -19.360 -4.252 1.00 0.00 H new ATOM 115 N LYS A 11 8.895 -13.409 -5.546 1.00 0.00 N ATOM 116 CA LYS A 11 8.361 -12.096 -5.205 1.00 0.00 C ATOM 117 C LYS A 11 8.384 -11.168 -6.416 1.00 0.00 C ATOM 118 O LYS A 11 9.382 -11.092 -7.132 1.00 0.00 O ATOM 119 CB LYS A 11 9.166 -11.477 -4.060 1.00 0.00 C ATOM 120 CG LYS A 11 9.341 -12.404 -2.869 1.00 0.00 C ATOM 121 CD LYS A 11 10.050 -11.708 -1.720 1.00 0.00 C ATOM 122 CE LYS A 11 11.559 -11.866 -1.818 1.00 0.00 C ATOM 123 NZ LYS A 11 12.009 -13.204 -1.344 1.00 0.00 N ATOM 0 H LYS A 11 9.644 -13.393 -6.238 1.00 0.00 H new ATOM 0 HA LYS A 11 7.326 -12.224 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.149 -11.188 -4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.670 -10.565 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.365 -12.757 -2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.911 -13.282 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.793 -10.649 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.701 -12.120 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.873 -11.723 -2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.045 -11.089 -1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.043 -13.272 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.732 -13.331 -0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.566 -13.945 -1.924 1.00 0.00 H new ATOM 137 N ASN A 12 7.279 -10.463 -6.637 1.00 0.00 N ATOM 138 CA ASN A 12 7.174 -9.540 -7.761 1.00 0.00 C ATOM 139 C ASN A 12 7.635 -8.141 -7.360 1.00 0.00 C ATOM 140 O ASN A 12 7.131 -7.141 -7.869 1.00 0.00 O ATOM 141 CB ASN A 12 5.733 -9.487 -8.271 1.00 0.00 C ATOM 142 CG ASN A 12 5.603 -8.691 -9.555 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.720 -7.842 -9.686 1.00 0.00 O ATOM 144 ND2 ASN A 12 6.484 -8.961 -10.511 1.00 0.00 N ATOM 0 H ASN A 12 6.444 -10.513 -6.053 1.00 0.00 H new ATOM 0 HA ASN A 12 7.822 -9.903 -8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.372 -10.502 -8.438 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.096 -9.044 -7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.446 -8.457 -11.397 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.199 -9.673 -10.359 1.00 0.00 H new ATOM 151 N GLY A 13 8.598 -8.081 -6.445 1.00 0.00 N ATOM 152 CA GLY A 13 9.111 -6.801 -5.993 1.00 0.00 C ATOM 153 C GLY A 13 8.795 -6.533 -4.535 1.00 0.00 C ATOM 154 O GLY A 13 9.594 -5.928 -3.819 1.00 0.00 O ATOM 0 H GLY A 13 9.031 -8.895 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.191 -6.774 -6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.687 -6.006 -6.606 1.00 0.00 H new ATOM 158 N PHE A 14 7.625 -6.981 -4.092 1.00 0.00 N ATOM 159 CA PHE A 14 7.203 -6.783 -2.710 1.00 0.00 C ATOM 160 C PHE A 14 8.122 -7.531 -1.749 1.00 0.00 C ATOM 161 O PHE A 14 8.693 -8.566 -2.096 1.00 0.00 O ATOM 162 CB PHE A 14 5.759 -7.253 -2.523 1.00 0.00 C ATOM 163 CG PHE A 14 4.740 -6.184 -2.797 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.709 -5.027 -2.036 1.00 0.00 C ATOM 165 CD2 PHE A 14 3.814 -6.336 -3.817 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.772 -4.042 -2.286 1.00 0.00 C ATOM 167 CE2 PHE A 14 2.875 -5.355 -4.071 1.00 0.00 C ATOM 168 CZ PHE A 14 2.855 -4.206 -3.305 1.00 0.00 C ATOM 0 H PHE A 14 6.952 -7.484 -4.670 1.00 0.00 H new ATOM 0 HA PHE A 14 7.262 -5.718 -2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.572 -8.099 -3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.632 -7.612 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.425 -4.893 -1.239 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.827 -7.232 -4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.757 -3.145 -1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.158 -5.486 -4.867 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.123 -3.437 -3.503 1.00 0.00 H new ATOM 178 N LYS A 15 8.261 -7.000 -0.539 1.00 0.00 N ATOM 179 CA LYS A 15 9.110 -7.616 0.474 1.00 0.00 C ATOM 180 C LYS A 15 8.458 -7.536 1.851 1.00 0.00 C ATOM 181 O LYS A 15 7.714 -6.600 2.144 1.00 0.00 O ATOM 182 CB LYS A 15 10.479 -6.933 0.506 1.00 0.00 C ATOM 183 CG LYS A 15 11.095 -6.741 -0.869 1.00 0.00 C ATOM 184 CD LYS A 15 11.904 -7.956 -1.292 1.00 0.00 C ATOM 185 CE LYS A 15 11.956 -8.091 -2.806 1.00 0.00 C ATOM 186 NZ LYS A 15 13.116 -7.362 -3.389 1.00 0.00 N ATOM 0 H LYS A 15 7.796 -6.144 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 15 9.241 -8.666 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.380 -5.961 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.157 -7.526 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.307 -6.555 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.737 -5.860 -0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.917 -7.875 -0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.465 -8.855 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.018 -9.146 -3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.032 -7.706 -3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.116 -7.479 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.044 -6.351 -3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.000 -7.746 -2.998 1.00 0.00 H new ATOM 200 N VAL A 16 8.743 -8.523 2.694 1.00 0.00 N ATOM 201 CA VAL A 16 8.187 -8.563 4.041 1.00 0.00 C ATOM 202 C VAL A 16 8.752 -7.440 4.903 1.00 0.00 C ATOM 203 O VAL A 16 9.967 -7.299 5.040 1.00 0.00 O ATOM 204 CB VAL A 16 8.472 -9.913 4.726 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.961 -9.903 6.159 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.846 -11.053 3.937 1.00 0.00 C ATOM 0 H VAL A 16 9.356 -9.306 2.468 1.00 0.00 H new ATOM 0 HA VAL A 16 7.109 -8.434 3.942 1.00 0.00 H new ATOM 0 HB VAL A 16 9.551 -10.067 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.171 -10.865 6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.460 -9.111 6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.885 -9.726 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.057 -11.999 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.767 -10.906 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.264 -11.072 2.931 1.00 0.00 H new ATOM 216 N GLY A 17 7.862 -6.640 5.483 1.00 0.00 N ATOM 217 CA GLY A 17 8.291 -5.539 6.324 1.00 0.00 C ATOM 218 C GLY A 17 7.848 -4.192 5.788 1.00 0.00 C ATOM 219 O GLY A 17 7.573 -3.271 6.556 1.00 0.00 O ATOM 0 H GLY A 17 6.851 -6.735 5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.891 -5.676 7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.378 -5.553 6.409 1.00 0.00 H new ATOM 223 N MET A 18 7.779 -4.078 4.466 1.00 0.00 N ATOM 224 CA MET A 18 7.366 -2.833 3.828 1.00 0.00 C ATOM 225 C MET A 18 5.894 -2.542 4.104 1.00 0.00 C ATOM 226 O MET A 18 5.041 -3.420 3.968 1.00 0.00 O ATOM 227 CB MET A 18 7.609 -2.903 2.319 1.00 0.00 C ATOM 228 CG MET A 18 9.081 -2.953 1.942 1.00 0.00 C ATOM 229 SD MET A 18 9.409 -2.229 0.324 1.00 0.00 S ATOM 230 CE MET A 18 9.172 -3.652 -0.738 1.00 0.00 C ATOM 0 H MET A 18 8.003 -4.831 3.816 1.00 0.00 H new ATOM 0 HA MET A 18 7.963 -2.024 4.248 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.110 -3.786 1.919 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.150 -2.035 1.845 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.663 -2.425 2.697 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.418 -3.990 1.947 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.809 -3.560 -1.618 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.434 -4.560 -0.194 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.129 -3.704 -1.049 1.00 0.00 H new ATOM 240 N LYS A 19 5.603 -1.306 4.493 1.00 0.00 N ATOM 241 CA LYS A 19 4.234 -0.898 4.788 1.00 0.00 C ATOM 242 C LYS A 19 3.574 -0.281 3.559 1.00 0.00 C ATOM 243 O LYS A 19 4.230 0.384 2.757 1.00 0.00 O ATOM 244 CB LYS A 19 4.216 0.102 5.946 1.00 0.00 C ATOM 245 CG LYS A 19 4.578 -0.514 7.287 1.00 0.00 C ATOM 246 CD LYS A 19 5.068 0.537 8.269 1.00 0.00 C ATOM 247 CE LYS A 19 5.981 -0.069 9.324 1.00 0.00 C ATOM 248 NZ LYS A 19 6.519 0.965 10.252 1.00 0.00 N ATOM 0 H LYS A 19 6.297 -0.568 4.612 1.00 0.00 H new ATOM 0 HA LYS A 19 3.670 -1.786 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.913 0.911 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.223 0.547 6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.708 -1.023 7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.351 -1.269 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.602 1.319 7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.214 1.010 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.431 -0.818 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.808 -0.585 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.549 0.849 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.308 1.912 9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.076 0.857 11.187 1.00 0.00 H new ATOM 262 N LEU A 20 2.272 -0.504 3.419 1.00 0.00 N ATOM 263 CA LEU A 20 1.521 0.032 2.288 1.00 0.00 C ATOM 264 C LEU A 20 0.031 0.097 2.606 1.00 0.00 C ATOM 265 O LEU A 20 -0.434 -0.507 3.572 1.00 0.00 O ATOM 266 CB LEU A 20 1.752 -0.828 1.044 1.00 0.00 C ATOM 267 CG LEU A 20 0.915 -2.103 0.945 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.660 -2.462 -0.511 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.605 -3.252 1.666 1.00 0.00 C ATOM 0 H LEU A 20 1.714 -1.052 4.074 1.00 0.00 H new ATOM 0 HA LEU A 20 1.877 1.044 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.554 -0.218 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.806 -1.105 1.009 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.046 -1.922 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.063 -3.372 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.123 -1.648 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.611 -2.623 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.995 -4.151 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.580 -3.433 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.736 -2.996 2.717 1.00 0.00 H new ATOM 281 N GLU A 21 -0.712 0.832 1.784 1.00 0.00 N ATOM 282 CA GLU A 21 -2.151 0.974 1.978 1.00 0.00 C ATOM 283 C GLU A 21 -2.921 0.065 1.024 1.00 0.00 C ATOM 284 O GLU A 21 -2.538 -0.105 -0.133 1.00 0.00 O ATOM 285 CB GLU A 21 -2.575 2.429 1.767 1.00 0.00 C ATOM 286 CG GLU A 21 -1.989 3.388 2.790 1.00 0.00 C ATOM 287 CD GLU A 21 -2.232 4.841 2.433 1.00 0.00 C ATOM 288 OE1 GLU A 21 -1.945 5.225 1.280 1.00 0.00 O ATOM 289 OE2 GLU A 21 -2.708 5.595 3.307 1.00 0.00 O ATOM 0 H GLU A 21 -0.342 1.337 0.979 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.385 0.679 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.272 2.746 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.663 2.491 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.424 3.180 3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.916 3.213 2.874 1.00 0.00 H new ATOM 296 N GLY A 22 -4.008 -0.517 1.519 1.00 0.00 N ATOM 297 CA GLY A 22 -4.815 -1.402 0.698 1.00 0.00 C ATOM 298 C GLY A 22 -6.301 -1.208 0.924 1.00 0.00 C ATOM 299 O GLY A 22 -6.710 -0.537 1.872 1.00 0.00 O ATOM 0 H GLY A 22 -4.345 -0.392 2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.585 -1.228 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.550 -2.437 0.915 1.00 0.00 H new ATOM 303 N VAL A 23 -7.112 -1.795 0.050 1.00 0.00 N ATOM 304 CA VAL A 23 -8.562 -1.683 0.157 1.00 0.00 C ATOM 305 C VAL A 23 -9.136 -2.796 1.026 1.00 0.00 C ATOM 306 O VAL A 23 -8.655 -3.929 1.000 1.00 0.00 O ATOM 307 CB VAL A 23 -9.233 -1.730 -1.228 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.709 -2.071 -1.096 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.047 -0.406 -1.955 1.00 0.00 C ATOM 0 H VAL A 23 -6.790 -2.353 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.771 -0.719 0.621 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.755 -2.513 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.166 -2.099 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.816 -3.045 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.205 -1.313 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.527 -0.457 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.497 0.396 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.983 -0.208 -2.084 1.00 0.00 H new ATOM 319 N ASP A 24 -10.169 -2.467 1.794 1.00 0.00 N ATOM 320 CA ASP A 24 -10.811 -3.440 2.670 1.00 0.00 C ATOM 321 C ASP A 24 -11.733 -4.360 1.877 1.00 0.00 C ATOM 322 O ASP A 24 -12.442 -3.934 0.965 1.00 0.00 O ATOM 323 CB ASP A 24 -11.603 -2.726 3.767 1.00 0.00 C ATOM 324 CG ASP A 24 -11.889 -3.625 4.953 1.00 0.00 C ATOM 325 OD1 ASP A 24 -12.774 -4.498 4.836 1.00 0.00 O ATOM 326 OD2 ASP A 24 -11.228 -3.455 6.000 1.00 0.00 O ATOM 0 H ASP A 24 -10.580 -1.534 1.828 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.032 -4.046 3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.045 -1.852 4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.544 -2.364 3.354 1.00 0.00 H new ATOM 331 N PRO A 25 -11.724 -5.655 2.229 1.00 0.00 N ATOM 332 CA PRO A 25 -12.553 -6.663 1.562 1.00 0.00 C ATOM 333 C PRO A 25 -14.037 -6.488 1.870 1.00 0.00 C ATOM 334 O PRO A 25 -14.868 -7.283 1.431 1.00 0.00 O ATOM 335 CB PRO A 25 -12.039 -7.984 2.140 1.00 0.00 C ATOM 336 CG PRO A 25 -11.464 -7.619 3.465 1.00 0.00 C ATOM 337 CD PRO A 25 -10.903 -6.233 3.306 1.00 0.00 C ATOM 0 HA PRO A 25 -12.478 -6.600 0.476 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.845 -8.711 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.287 -8.434 1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.228 -7.644 4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.686 -8.323 3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.986 -5.657 4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.847 -6.255 3.038 1.00 0.00 H new ATOM 345 N GLU A 26 -14.361 -5.444 2.625 1.00 0.00 N ATOM 346 CA GLU A 26 -15.745 -5.166 2.990 1.00 0.00 C ATOM 347 C GLU A 26 -16.278 -3.956 2.228 1.00 0.00 C ATOM 348 O GLU A 26 -17.483 -3.823 2.016 1.00 0.00 O ATOM 349 CB GLU A 26 -15.860 -4.925 4.497 1.00 0.00 C ATOM 350 CG GLU A 26 -15.591 -3.486 4.905 1.00 0.00 C ATOM 351 CD GLU A 26 -15.799 -3.252 6.388 1.00 0.00 C ATOM 352 OE1 GLU A 26 -15.447 -4.147 7.185 1.00 0.00 O ATOM 353 OE2 GLU A 26 -16.314 -2.174 6.753 1.00 0.00 O ATOM 0 H GLU A 26 -13.685 -4.777 2.996 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.345 -6.035 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.860 -5.206 4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.158 -5.578 5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.567 -3.222 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.247 -2.824 4.341 1.00 0.00 H new ATOM 360 N HIS A 27 -15.370 -3.076 1.819 1.00 0.00 N ATOM 361 CA HIS A 27 -15.747 -1.876 1.080 1.00 0.00 C ATOM 362 C HIS A 27 -14.594 -1.392 0.205 1.00 0.00 C ATOM 363 O HIS A 27 -13.477 -1.200 0.685 1.00 0.00 O ATOM 364 CB HIS A 27 -16.169 -0.769 2.046 1.00 0.00 C ATOM 365 CG HIS A 27 -17.511 -0.997 2.669 1.00 0.00 C ATOM 366 ND1 HIS A 27 -17.761 -0.803 4.011 1.00 0.00 N ATOM 367 CD2 HIS A 27 -18.682 -1.404 2.125 1.00 0.00 C ATOM 368 CE1 HIS A 27 -19.027 -1.083 4.266 1.00 0.00 C ATOM 369 NE2 HIS A 27 -19.608 -1.449 3.138 1.00 0.00 N ATOM 0 H HIS A 27 -14.368 -3.171 1.987 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.589 -2.126 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.422 -0.682 2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.182 0.182 1.513 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -18.856 -1.648 1.087 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -19.505 -1.023 5.232 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -20.586 -1.721 3.036 1.00 0.00 H new ATOM 378 N GLN A 28 -14.874 -1.199 -1.080 1.00 0.00 N ATOM 379 CA GLN A 28 -13.860 -0.739 -2.021 1.00 0.00 C ATOM 380 C GLN A 28 -13.739 0.781 -1.992 1.00 0.00 C ATOM 381 O GLN A 28 -13.339 1.400 -2.978 1.00 0.00 O ATOM 382 CB GLN A 28 -14.197 -1.210 -3.437 1.00 0.00 C ATOM 383 CG GLN A 28 -13.594 -2.560 -3.790 1.00 0.00 C ATOM 384 CD GLN A 28 -14.447 -3.342 -4.769 1.00 0.00 C ATOM 385 OE1 GLN A 28 -14.209 -3.315 -5.977 1.00 0.00 O ATOM 386 NE2 GLN A 28 -15.448 -4.045 -4.252 1.00 0.00 N ATOM 0 H GLN A 28 -15.794 -1.354 -1.493 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.903 -1.166 -1.722 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.280 -1.266 -3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.845 -0.466 -4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.602 -2.410 -4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.464 -3.145 -2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.609 -4.039 -3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.056 -4.591 -4.862 1.00 0.00 H new ATOM 395 N SER A 29 -14.089 1.376 -0.857 1.00 0.00 N ATOM 396 CA SER A 29 -14.024 2.824 -0.701 1.00 0.00 C ATOM 397 C SER A 29 -13.174 3.203 0.508 1.00 0.00 C ATOM 398 O SER A 29 -12.759 4.353 0.654 1.00 0.00 O ATOM 399 CB SER A 29 -15.431 3.406 -0.552 1.00 0.00 C ATOM 400 OG SER A 29 -16.043 3.592 -1.816 1.00 0.00 O ATOM 0 H SER A 29 -14.421 0.878 -0.031 1.00 0.00 H new ATOM 0 HA SER A 29 -13.559 3.240 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.041 2.738 0.056 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.380 4.359 -0.026 1.00 0.00 H new ATOM 0 HG SER A 29 -16.942 3.963 -1.693 1.00 0.00 H new ATOM 406 N VAL A 30 -12.919 2.227 1.373 1.00 0.00 N ATOM 407 CA VAL A 30 -12.118 2.457 2.570 1.00 0.00 C ATOM 408 C VAL A 30 -10.680 1.992 2.366 1.00 0.00 C ATOM 409 O VAL A 30 -10.436 0.867 1.930 1.00 0.00 O ATOM 410 CB VAL A 30 -12.712 1.730 3.791 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.825 1.924 5.012 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.126 2.219 4.065 1.00 0.00 C ATOM 0 H VAL A 30 -13.255 1.270 1.268 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.127 3.531 2.756 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.757 0.663 3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.261 1.403 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.833 1.521 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.745 2.987 5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.531 1.695 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.108 3.290 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.754 2.022 3.196 1.00 0.00 H new ATOM 422 N TYR A 31 -9.731 2.866 2.683 1.00 0.00 N ATOM 423 CA TYR A 31 -8.317 2.547 2.533 1.00 0.00 C ATOM 424 C TYR A 31 -7.645 2.396 3.895 1.00 0.00 C ATOM 425 O TYR A 31 -7.434 3.377 4.608 1.00 0.00 O ATOM 426 CB TYR A 31 -7.610 3.634 1.721 1.00 0.00 C ATOM 427 CG TYR A 31 -8.072 3.712 0.284 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.867 2.653 -0.591 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.715 4.845 -0.199 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.287 2.720 -1.906 1.00 0.00 C ATOM 431 CE2 TYR A 31 -9.139 4.921 -1.512 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.922 3.856 -2.361 1.00 0.00 C ATOM 433 OH TYR A 31 -9.343 3.927 -3.669 1.00 0.00 O ATOM 0 H TYR A 31 -9.916 3.801 3.046 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.239 1.598 2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.775 4.599 2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.536 3.449 1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.371 1.761 -0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.886 5.681 0.463 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.119 1.888 -2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.637 5.809 -1.871 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.773 4.793 -3.828 1.00 0.00 H new ATOM 443 N CYS A 32 -7.311 1.159 4.248 1.00 0.00 N ATOM 444 CA CYS A 32 -6.662 0.878 5.524 1.00 0.00 C ATOM 445 C CYS A 32 -5.189 0.538 5.322 1.00 0.00 C ATOM 446 O CYS A 32 -4.773 0.157 4.227 1.00 0.00 O ATOM 447 CB CYS A 32 -7.371 -0.275 6.236 1.00 0.00 C ATOM 448 SG CYS A 32 -7.135 -0.292 8.029 1.00 0.00 S ATOM 0 H CYS A 32 -7.479 0.336 3.669 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.727 1.773 6.142 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.438 -0.219 6.021 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.012 -1.218 5.824 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.774 -1.302 8.541 1.00 0.00 H new ATOM 454 N VAL A 33 -4.403 0.679 6.385 1.00 0.00 N ATOM 455 CA VAL A 33 -2.976 0.388 6.324 1.00 0.00 C ATOM 456 C VAL A 33 -2.713 -1.106 6.472 1.00 0.00 C ATOM 457 O VAL A 33 -3.350 -1.783 7.281 1.00 0.00 O ATOM 458 CB VAL A 33 -2.202 1.145 7.420 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.922 1.037 8.755 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.779 0.617 7.528 1.00 0.00 C ATOM 0 H VAL A 33 -4.731 0.993 7.298 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.627 0.720 5.347 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.155 2.199 7.145 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.360 1.578 9.516 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.920 1.467 8.666 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.003 -0.012 9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.247 1.163 8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.802 -0.443 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.267 0.753 6.575 1.00 0.00 H new ATOM 470 N LEU A 34 -1.771 -1.616 5.686 1.00 0.00 N ATOM 471 CA LEU A 34 -1.423 -3.032 5.730 1.00 0.00 C ATOM 472 C LEU A 34 0.088 -3.224 5.654 1.00 0.00 C ATOM 473 O LEU A 34 0.819 -2.325 5.236 1.00 0.00 O ATOM 474 CB LEU A 34 -2.102 -3.780 4.581 1.00 0.00 C ATOM 475 CG LEU A 34 -3.601 -3.534 4.413 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.009 -3.692 2.956 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.399 -4.481 5.297 1.00 0.00 C ATOM 0 H LEU A 34 -1.235 -1.071 5.011 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.775 -3.438 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.603 -3.507 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.944 -4.849 4.726 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.818 -2.511 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.080 -3.513 2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.463 -2.973 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.777 -4.703 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.464 -4.292 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.176 -5.512 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.129 -4.319 6.341 1.00 0.00 H new ATOM 489 N THR A 35 0.552 -4.402 6.058 1.00 0.00 N ATOM 490 CA THR A 35 1.976 -4.713 6.034 1.00 0.00 C ATOM 491 C THR A 35 2.232 -6.068 5.385 1.00 0.00 C ATOM 492 O THR A 35 1.605 -7.066 5.739 1.00 0.00 O ATOM 493 CB THR A 35 2.573 -4.715 7.454 1.00 0.00 C ATOM 494 OG1 THR A 35 2.182 -3.528 8.152 1.00 0.00 O ATOM 495 CG2 THR A 35 4.091 -4.802 7.402 1.00 0.00 C ATOM 0 H THR A 35 -0.038 -5.157 6.406 1.00 0.00 H new ATOM 0 HA THR A 35 2.460 -3.934 5.445 1.00 0.00 H new ATOM 0 HB THR A 35 2.192 -5.589 7.983 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.564 -3.538 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.490 -4.802 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.386 -5.721 6.896 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.486 -3.945 6.856 1.00 0.00 H new ATOM 503 N VAL A 36 3.159 -6.096 4.432 1.00 0.00 N ATOM 504 CA VAL A 36 3.501 -7.330 3.734 1.00 0.00 C ATOM 505 C VAL A 36 4.028 -8.382 4.703 1.00 0.00 C ATOM 506 O VAL A 36 5.139 -8.263 5.220 1.00 0.00 O ATOM 507 CB VAL A 36 4.555 -7.082 2.639 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.898 -8.380 1.924 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.061 -6.034 1.653 1.00 0.00 C ATOM 0 H VAL A 36 3.686 -5.278 4.126 1.00 0.00 H new ATOM 0 HA VAL A 36 2.585 -7.695 3.270 1.00 0.00 H new ATOM 0 HB VAL A 36 5.463 -6.705 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.644 -8.185 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.297 -9.097 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.999 -8.790 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.818 -5.871 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.139 -6.380 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.871 -5.099 2.180 1.00 0.00 H new ATOM 519 N ALA A 37 3.224 -9.412 4.946 1.00 0.00 N ATOM 520 CA ALA A 37 3.611 -10.486 5.851 1.00 0.00 C ATOM 521 C ALA A 37 4.284 -11.626 5.094 1.00 0.00 C ATOM 522 O ALA A 37 5.216 -12.252 5.598 1.00 0.00 O ATOM 523 CB ALA A 37 2.396 -10.999 6.611 1.00 0.00 C ATOM 0 H ALA A 37 2.300 -9.525 4.528 1.00 0.00 H new ATOM 0 HA ALA A 37 4.330 -10.085 6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.700 -11.801 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.959 -10.186 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.658 -11.378 5.904 1.00 0.00 H new ATOM 529 N GLU A 38 3.805 -11.890 3.882 1.00 0.00 N ATOM 530 CA GLU A 38 4.361 -12.956 3.057 1.00 0.00 C ATOM 531 C GLU A 38 4.223 -12.625 1.574 1.00 0.00 C ATOM 532 O GLU A 38 3.352 -11.850 1.178 1.00 0.00 O ATOM 533 CB GLU A 38 3.662 -14.283 3.362 1.00 0.00 C ATOM 534 CG GLU A 38 4.511 -15.504 3.048 1.00 0.00 C ATOM 535 CD GLU A 38 3.833 -16.802 3.441 1.00 0.00 C ATOM 536 OE1 GLU A 38 2.779 -17.123 2.855 1.00 0.00 O ATOM 537 OE2 GLU A 38 4.359 -17.498 4.335 1.00 0.00 O ATOM 0 H GLU A 38 3.034 -11.381 3.450 1.00 0.00 H new ATOM 0 HA GLU A 38 5.421 -13.048 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.385 -14.304 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.737 -14.337 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.733 -15.523 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.464 -15.423 3.571 1.00 0.00 H new ATOM 544 N VAL A 39 5.089 -13.217 0.759 1.00 0.00 N ATOM 545 CA VAL A 39 5.065 -12.986 -0.681 1.00 0.00 C ATOM 546 C VAL A 39 5.249 -14.290 -1.450 1.00 0.00 C ATOM 547 O VAL A 39 6.224 -15.012 -1.242 1.00 0.00 O ATOM 548 CB VAL A 39 6.161 -11.992 -1.108 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.133 -11.781 -2.614 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.997 -10.670 -0.373 1.00 0.00 C ATOM 0 H VAL A 39 5.816 -13.860 1.071 1.00 0.00 H new ATOM 0 HA VAL A 39 4.089 -12.563 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 39 7.131 -12.411 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.914 -11.076 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.303 -12.732 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.162 -11.383 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.780 -9.980 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.022 -10.243 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.072 -10.839 0.701 1.00 0.00 H new ATOM 560 N CYS A 40 4.306 -14.584 -2.338 1.00 0.00 N ATOM 561 CA CYS A 40 4.364 -15.802 -3.139 1.00 0.00 C ATOM 562 C CYS A 40 3.561 -15.644 -4.427 1.00 0.00 C ATOM 563 O CYS A 40 2.772 -14.711 -4.568 1.00 0.00 O ATOM 564 CB CYS A 40 3.834 -16.990 -2.336 1.00 0.00 C ATOM 565 SG CYS A 40 4.283 -18.603 -3.021 1.00 0.00 S ATOM 0 H CYS A 40 3.493 -13.996 -2.522 1.00 0.00 H new ATOM 0 HA CYS A 40 5.406 -15.986 -3.402 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.211 -16.923 -1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.748 -16.921 -2.279 1.00 0.00 H new ATOM 0 HG CYS A 40 3.791 -19.545 -2.272 1.00 0.00 H new ATOM 571 N GLY A 41 3.771 -16.562 -5.365 1.00 0.00 N ATOM 572 CA GLY A 41 3.061 -16.506 -6.630 1.00 0.00 C ATOM 573 C GLY A 41 2.856 -15.085 -7.117 1.00 0.00 C ATOM 574 O GLY A 41 3.617 -14.184 -6.762 1.00 0.00 O ATOM 0 H GLY A 41 4.420 -17.343 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.617 -17.067 -7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.092 -16.993 -6.521 1.00 0.00 H new ATOM 578 N TYR A 42 1.827 -14.884 -7.932 1.00 0.00 N ATOM 579 CA TYR A 42 1.527 -13.563 -8.472 1.00 0.00 C ATOM 580 C TYR A 42 0.685 -12.752 -7.492 1.00 0.00 C ATOM 581 O TYR A 42 0.043 -11.773 -7.870 1.00 0.00 O ATOM 582 CB TYR A 42 0.793 -13.690 -9.808 1.00 0.00 C ATOM 583 CG TYR A 42 0.727 -12.397 -10.589 1.00 0.00 C ATOM 584 CD1 TYR A 42 1.846 -11.905 -11.251 1.00 0.00 C ATOM 585 CD2 TYR A 42 -0.452 -11.666 -10.664 1.00 0.00 C ATOM 586 CE1 TYR A 42 1.792 -10.724 -11.965 1.00 0.00 C ATOM 587 CE2 TYR A 42 -0.516 -10.485 -11.376 1.00 0.00 C ATOM 588 CZ TYR A 42 0.608 -10.018 -12.025 1.00 0.00 C ATOM 589 OH TYR A 42 0.549 -8.840 -12.735 1.00 0.00 O ATOM 0 H TYR A 42 1.187 -15.618 -8.233 1.00 0.00 H new ATOM 0 HA TYR A 42 2.470 -13.041 -8.631 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.290 -14.446 -10.415 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.221 -14.045 -9.623 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.774 -12.456 -11.206 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.334 -12.028 -10.156 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.671 -10.355 -12.473 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.441 -9.930 -11.425 1.00 0.00 H new ATOM 0 HH TYR A 42 1.161 -8.187 -12.336 1.00 0.00 H new ATOM 599 N ARG A 43 0.695 -13.168 -6.229 1.00 0.00 N ATOM 600 CA ARG A 43 -0.068 -12.481 -5.193 1.00 0.00 C ATOM 601 C ARG A 43 0.822 -12.136 -4.002 1.00 0.00 C ATOM 602 O ARG A 43 2.019 -12.426 -4.005 1.00 0.00 O ATOM 603 CB ARG A 43 -1.240 -13.350 -4.733 1.00 0.00 C ATOM 604 CG ARG A 43 -2.363 -13.447 -5.753 1.00 0.00 C ATOM 605 CD ARG A 43 -3.206 -14.693 -5.535 1.00 0.00 C ATOM 606 NE ARG A 43 -2.464 -15.915 -5.831 1.00 0.00 N ATOM 607 CZ ARG A 43 -2.149 -16.305 -7.062 1.00 0.00 C ATOM 608 NH1 ARG A 43 -2.511 -15.572 -8.105 1.00 0.00 N ATOM 609 NH2 ARG A 43 -1.471 -17.430 -7.250 1.00 0.00 N ATOM 0 H ARG A 43 1.222 -13.976 -5.899 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.456 -11.554 -5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.873 -14.352 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.639 -12.945 -3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.995 -12.562 -5.685 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.943 -13.462 -6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.552 -14.720 -4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.093 -14.646 -6.167 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.171 -16.502 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.032 -14.707 -7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.268 -15.873 -9.049 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.191 -17.997 -6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.230 -17.728 -8.195 1.00 0.00 H new ATOM 623 N ILE A 44 0.229 -11.516 -2.988 1.00 0.00 N ATOM 624 CA ILE A 44 0.967 -11.132 -1.791 1.00 0.00 C ATOM 625 C ILE A 44 0.058 -11.109 -0.568 1.00 0.00 C ATOM 626 O ILE A 44 -1.095 -10.683 -0.645 1.00 0.00 O ATOM 627 CB ILE A 44 1.624 -9.749 -1.954 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.587 -8.717 -2.401 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.771 -9.821 -2.952 1.00 0.00 C ATOM 630 CD1 ILE A 44 0.975 -7.291 -2.077 1.00 0.00 C ATOM 0 H ILE A 44 -0.760 -11.269 -2.971 1.00 0.00 H new ATOM 0 HA ILE A 44 1.746 -11.881 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 44 2.026 -9.439 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.436 -8.808 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.367 -8.943 -1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.225 -8.836 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.519 -10.529 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.391 -10.150 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.194 -6.614 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.098 -7.183 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.913 -7.047 -2.575 1.00 0.00 H new ATOM 642 N LYS A 45 0.583 -11.570 0.562 1.00 0.00 N ATOM 643 CA LYS A 45 -0.179 -11.601 1.805 1.00 0.00 C ATOM 644 C LYS A 45 -0.347 -10.196 2.374 1.00 0.00 C ATOM 645 O LYS A 45 0.621 -9.445 2.500 1.00 0.00 O ATOM 646 CB LYS A 45 0.515 -12.499 2.831 1.00 0.00 C ATOM 647 CG LYS A 45 -0.435 -13.106 3.849 1.00 0.00 C ATOM 648 CD LYS A 45 0.159 -14.346 4.496 1.00 0.00 C ATOM 649 CE LYS A 45 -0.828 -15.007 5.445 1.00 0.00 C ATOM 650 NZ LYS A 45 -0.138 -15.709 6.562 1.00 0.00 N ATOM 0 H LYS A 45 1.535 -11.928 0.643 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.167 -12.007 1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.034 -13.302 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.274 -11.918 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.666 -12.368 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.375 -13.364 3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.453 -15.056 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.064 -14.076 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.502 -14.253 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.442 -15.719 4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.213 -16.737 6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.865 -15.434 6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.583 -15.447 7.465 1.00 0.00 H new ATOM 664 N LEU A 46 -1.582 -9.846 2.719 1.00 0.00 N ATOM 665 CA LEU A 46 -1.877 -8.531 3.277 1.00 0.00 C ATOM 666 C LEU A 46 -2.344 -8.646 4.725 1.00 0.00 C ATOM 667 O LEU A 46 -3.392 -9.227 5.005 1.00 0.00 O ATOM 668 CB LEU A 46 -2.946 -7.827 2.439 1.00 0.00 C ATOM 669 CG LEU A 46 -2.452 -7.123 1.175 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.602 -5.914 1.535 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.665 -8.088 0.300 1.00 0.00 C ATOM 0 H LEU A 46 -2.395 -10.455 2.622 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.961 -7.941 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.696 -8.563 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.446 -7.091 3.069 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.319 -6.778 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.259 -5.426 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.196 -5.213 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.740 -6.236 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.321 -7.570 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.805 -8.464 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.304 -8.923 0.013 1.00 0.00 H new ATOM 683 N HIS A 47 -1.559 -8.087 5.640 1.00 0.00 N ATOM 684 CA HIS A 47 -1.893 -8.124 7.059 1.00 0.00 C ATOM 685 C HIS A 47 -2.419 -6.771 7.530 1.00 0.00 C ATOM 686 O HIS A 47 -1.879 -5.725 7.169 1.00 0.00 O ATOM 687 CB HIS A 47 -0.669 -8.523 7.883 1.00 0.00 C ATOM 688 CG HIS A 47 -0.712 -8.032 9.298 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.424 -8.667 10.293 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.126 -6.961 9.881 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.274 -8.007 11.428 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.491 -6.968 11.205 1.00 0.00 N ATOM 0 H HIS A 47 -0.687 -7.603 5.424 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.676 -8.868 7.202 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.583 -9.610 7.887 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.227 -8.134 7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.510 -6.236 9.396 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.717 -8.273 12.377 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.204 -6.282 11.903 1.00 0.00 H new ATOM 701 N PHE A 48 -3.475 -6.799 8.336 1.00 0.00 N ATOM 702 CA PHE A 48 -4.074 -5.575 8.854 1.00 0.00 C ATOM 703 C PHE A 48 -3.353 -5.108 10.115 1.00 0.00 C ATOM 704 O PHE A 48 -3.336 -5.807 11.128 1.00 0.00 O ATOM 705 CB PHE A 48 -5.558 -5.795 9.153 1.00 0.00 C ATOM 706 CG PHE A 48 -6.453 -5.529 7.977 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.786 -4.232 7.622 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.962 -6.577 7.226 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.610 -3.984 6.540 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.787 -6.335 6.143 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.110 -5.037 5.799 1.00 0.00 C ATOM 0 H PHE A 48 -3.934 -7.656 8.645 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.975 -4.801 8.093 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.705 -6.823 9.486 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.854 -5.147 9.978 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.397 -3.405 8.197 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.711 -7.594 7.490 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.862 -2.968 6.274 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.178 -7.160 5.567 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.752 -4.846 4.952 1.00 0.00 H new ATOM 721 N ASP A 49 -2.759 -3.922 10.044 1.00 0.00 N ATOM 722 CA ASP A 49 -2.037 -3.359 11.179 1.00 0.00 C ATOM 723 C ASP A 49 -2.877 -3.435 12.450 1.00 0.00 C ATOM 724 O ASP A 49 -3.966 -2.866 12.521 1.00 0.00 O ATOM 725 CB ASP A 49 -1.648 -1.907 10.896 1.00 0.00 C ATOM 726 CG ASP A 49 -0.488 -1.441 11.752 1.00 0.00 C ATOM 727 OD1 ASP A 49 0.666 -1.792 11.431 1.00 0.00 O ATOM 728 OD2 ASP A 49 -0.735 -0.723 12.744 1.00 0.00 O ATOM 0 H ASP A 49 -2.763 -3.332 9.212 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.131 -3.947 11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.384 -1.803 9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.509 -1.262 11.074 1.00 0.00 H new ATOM 733 N GLY A 50 -2.364 -4.143 13.452 1.00 0.00 N ATOM 734 CA GLY A 50 -3.082 -4.282 14.706 1.00 0.00 C ATOM 735 C GLY A 50 -3.986 -5.498 14.725 1.00 0.00 C ATOM 736 O GLY A 50 -3.976 -6.272 15.682 1.00 0.00 O ATOM 0 H GLY A 50 -1.464 -4.623 13.418 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.366 -4.353 15.525 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.679 -3.387 14.880 1.00 0.00 H new ATOM 740 N TYR A 51 -4.772 -5.666 13.667 1.00 0.00 N ATOM 741 CA TYR A 51 -5.690 -6.794 13.568 1.00 0.00 C ATOM 742 C TYR A 51 -4.937 -8.118 13.658 1.00 0.00 C ATOM 743 O TYR A 51 -3.725 -8.143 13.870 1.00 0.00 O ATOM 744 CB TYR A 51 -6.473 -6.728 12.256 1.00 0.00 C ATOM 745 CG TYR A 51 -7.564 -5.681 12.254 1.00 0.00 C ATOM 746 CD1 TYR A 51 -7.266 -4.340 12.045 1.00 0.00 C ATOM 747 CD2 TYR A 51 -8.892 -6.033 12.461 1.00 0.00 C ATOM 748 CE1 TYR A 51 -8.260 -3.380 12.043 1.00 0.00 C ATOM 749 CE2 TYR A 51 -9.892 -5.080 12.459 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.571 -3.755 12.250 1.00 0.00 C ATOM 751 OH TYR A 51 -10.563 -2.802 12.248 1.00 0.00 O ATOM 0 H TYR A 51 -4.792 -5.035 12.866 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.388 -6.736 14.403 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.781 -6.521 11.440 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.917 -7.704 12.058 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.241 -4.043 11.881 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.147 -7.069 12.626 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.012 -2.342 11.880 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -10.920 -5.371 12.620 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.429 -3.231 12.407 1.00 0.00 H new ATOM 761 N SER A 52 -5.666 -9.218 13.495 1.00 0.00 N ATOM 762 CA SER A 52 -5.069 -10.547 13.560 1.00 0.00 C ATOM 763 C SER A 52 -4.778 -11.081 12.161 1.00 0.00 C ATOM 764 O SER A 52 -5.416 -10.682 11.187 1.00 0.00 O ATOM 765 CB SER A 52 -5.997 -11.510 14.303 1.00 0.00 C ATOM 766 OG SER A 52 -5.431 -12.806 14.381 1.00 0.00 O ATOM 0 H SER A 52 -6.670 -9.215 13.317 1.00 0.00 H new ATOM 0 HA SER A 52 -4.127 -10.469 14.103 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.189 -11.133 15.307 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.959 -11.560 13.792 1.00 0.00 H new ATOM 0 HG SER A 52 -6.043 -13.402 14.862 1.00 0.00 H new ATOM 772 N ASP A 53 -3.810 -11.987 12.070 1.00 0.00 N ATOM 773 CA ASP A 53 -3.434 -12.578 10.791 1.00 0.00 C ATOM 774 C ASP A 53 -4.625 -13.278 10.144 1.00 0.00 C ATOM 775 O ASP A 53 -4.833 -13.180 8.934 1.00 0.00 O ATOM 776 CB ASP A 53 -2.285 -13.570 10.982 1.00 0.00 C ATOM 777 CG ASP A 53 -1.461 -13.750 9.722 1.00 0.00 C ATOM 778 OD1 ASP A 53 -0.706 -12.820 9.369 1.00 0.00 O ATOM 779 OD2 ASP A 53 -1.572 -14.821 9.089 1.00 0.00 O ATOM 0 H ASP A 53 -3.272 -12.328 12.867 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.105 -11.776 10.131 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.639 -13.223 11.789 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.689 -14.535 11.290 1.00 0.00 H new ATOM 784 N CYS A 54 -5.402 -13.984 10.958 1.00 0.00 N ATOM 785 CA CYS A 54 -6.572 -14.702 10.464 1.00 0.00 C ATOM 786 C CYS A 54 -7.380 -13.833 9.507 1.00 0.00 C ATOM 787 O CYS A 54 -8.046 -14.340 8.603 1.00 0.00 O ATOM 788 CB CYS A 54 -7.452 -15.149 11.633 1.00 0.00 C ATOM 789 SG CYS A 54 -8.930 -16.065 11.136 1.00 0.00 S ATOM 0 H CYS A 54 -5.243 -14.075 11.962 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.226 -15.582 9.921 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.859 -15.772 12.302 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.756 -14.270 12.202 1.00 0.00 H new ATOM 0 HG CYS A 54 -9.214 -15.791 9.897 1.00 0.00 H new ATOM 795 N TYR A 55 -7.319 -12.522 9.711 1.00 0.00 N ATOM 796 CA TYR A 55 -8.048 -11.582 8.869 1.00 0.00 C ATOM 797 C TYR A 55 -7.168 -11.073 7.731 1.00 0.00 C ATOM 798 O TYR A 55 -7.311 -9.936 7.281 1.00 0.00 O ATOM 799 CB TYR A 55 -8.555 -10.404 9.703 1.00 0.00 C ATOM 800 CG TYR A 55 -9.341 -10.821 10.925 1.00 0.00 C ATOM 801 CD1 TYR A 55 -10.661 -11.240 10.817 1.00 0.00 C ATOM 802 CD2 TYR A 55 -8.763 -10.796 12.189 1.00 0.00 C ATOM 803 CE1 TYR A 55 -11.383 -11.621 11.931 1.00 0.00 C ATOM 804 CE2 TYR A 55 -9.478 -11.176 13.308 1.00 0.00 C ATOM 805 CZ TYR A 55 -10.787 -11.588 13.174 1.00 0.00 C ATOM 806 OH TYR A 55 -11.503 -11.968 14.286 1.00 0.00 O ATOM 0 H TYR A 55 -6.772 -12.086 10.453 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.901 -12.107 8.438 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.704 -9.800 10.017 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.182 -9.770 9.077 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.131 -11.268 9.845 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.738 -10.474 12.298 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.409 -11.943 11.829 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.014 -11.151 14.283 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.937 -11.888 15.082 1.00 0.00 H new ATOM 816 N ASP A 56 -6.257 -11.924 7.271 1.00 0.00 N ATOM 817 CA ASP A 56 -5.354 -11.563 6.185 1.00 0.00 C ATOM 818 C ASP A 56 -5.882 -12.071 4.847 1.00 0.00 C ATOM 819 O ASP A 56 -6.582 -13.082 4.788 1.00 0.00 O ATOM 820 CB ASP A 56 -3.958 -12.132 6.445 1.00 0.00 C ATOM 821 CG ASP A 56 -3.192 -11.335 7.482 1.00 0.00 C ATOM 822 OD1 ASP A 56 -3.837 -10.621 8.278 1.00 0.00 O ATOM 823 OD2 ASP A 56 -1.946 -11.425 7.498 1.00 0.00 O ATOM 0 H ASP A 56 -6.125 -12.868 7.633 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.294 -10.476 6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.047 -13.166 6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.395 -12.145 5.512 1.00 0.00 H new ATOM 828 N PHE A 57 -5.544 -11.361 3.776 1.00 0.00 N ATOM 829 CA PHE A 57 -5.986 -11.738 2.438 1.00 0.00 C ATOM 830 C PHE A 57 -4.866 -11.547 1.420 1.00 0.00 C ATOM 831 O PHE A 57 -4.000 -10.688 1.589 1.00 0.00 O ATOM 832 CB PHE A 57 -7.208 -10.912 2.030 1.00 0.00 C ATOM 833 CG PHE A 57 -6.974 -9.430 2.084 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.797 -8.787 3.299 1.00 0.00 C ATOM 835 CD2 PHE A 57 -6.931 -8.679 0.920 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.583 -7.422 3.351 1.00 0.00 C ATOM 837 CE2 PHE A 57 -6.717 -7.314 0.967 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.541 -6.686 2.184 1.00 0.00 C ATOM 0 H PHE A 57 -4.966 -10.521 3.808 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.259 -12.793 2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.502 -11.189 1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.042 -11.164 2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.827 -9.358 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.066 -9.166 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.449 -6.932 4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.688 -6.740 0.053 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.371 -5.620 2.223 1.00 0.00 H new ATOM 848 N TRP A 58 -4.889 -12.353 0.365 1.00 0.00 N ATOM 849 CA TRP A 58 -3.875 -12.273 -0.680 1.00 0.00 C ATOM 850 C TRP A 58 -4.390 -11.486 -1.879 1.00 0.00 C ATOM 851 O TRP A 58 -5.334 -11.905 -2.550 1.00 0.00 O ATOM 852 CB TRP A 58 -3.453 -13.676 -1.118 1.00 0.00 C ATOM 853 CG TRP A 58 -2.719 -14.435 -0.055 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.235 -14.912 1.116 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.335 -14.802 -0.065 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.255 -15.554 1.835 1.00 0.00 N ATOM 857 CE2 TRP A 58 -1.080 -15.501 1.132 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.286 -14.611 -0.969 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.179 -16.006 1.445 1.00 0.00 C ATOM 860 CZ3 TRP A 58 0.963 -15.112 -0.656 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.187 -15.803 0.542 1.00 0.00 C ATOM 0 H TRP A 58 -5.598 -13.069 0.210 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.009 -11.752 -0.272 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.339 -14.239 -1.410 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.819 -13.598 -2.001 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.262 -14.801 1.431 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.382 -15.998 2.745 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.449 -14.081 -1.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.354 -16.539 2.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.781 -14.968 -1.347 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.175 -16.183 0.757 1.00 0.00 H new ATOM 872 N VAL A 59 -3.765 -10.343 -2.145 1.00 0.00 N ATOM 873 CA VAL A 59 -4.161 -9.498 -3.265 1.00 0.00 C ATOM 874 C VAL A 59 -3.182 -9.631 -4.426 1.00 0.00 C ATOM 875 O VAL A 59 -2.176 -10.332 -4.326 1.00 0.00 O ATOM 876 CB VAL A 59 -4.247 -8.017 -2.848 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.038 -7.871 -1.557 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.854 -7.424 -2.700 1.00 0.00 C ATOM 0 H VAL A 59 -2.982 -9.981 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.147 -9.836 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.770 -7.467 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.088 -6.818 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.047 -8.256 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.546 -8.434 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.933 -6.378 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.303 -7.975 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.326 -7.494 -3.651 1.00 0.00 H new ATOM 888 N ASN A 60 -3.484 -8.953 -5.529 1.00 0.00 N ATOM 889 CA ASN A 60 -2.631 -8.996 -6.711 1.00 0.00 C ATOM 890 C ASN A 60 -1.380 -8.145 -6.510 1.00 0.00 C ATOM 891 O ASN A 60 -1.448 -7.041 -5.971 1.00 0.00 O ATOM 892 CB ASN A 60 -3.401 -8.508 -7.939 1.00 0.00 C ATOM 893 CG ASN A 60 -4.739 -9.204 -8.097 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.188 -9.920 -7.202 1.00 0.00 O ATOM 895 ND2 ASN A 60 -5.382 -8.997 -9.241 1.00 0.00 N ATOM 0 H ASN A 60 -4.313 -8.367 -5.629 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.324 -10.030 -6.870 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.561 -7.433 -7.860 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.799 -8.676 -8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.286 -9.440 -9.405 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.972 -8.395 -9.955 1.00 0.00 H new ATOM 902 N ALA A 61 -0.239 -8.668 -6.947 1.00 0.00 N ATOM 903 CA ALA A 61 1.026 -7.956 -6.817 1.00 0.00 C ATOM 904 C ALA A 61 0.988 -6.629 -7.567 1.00 0.00 C ATOM 905 O ALA A 61 1.716 -5.694 -7.231 1.00 0.00 O ATOM 906 CB ALA A 61 2.171 -8.819 -7.326 1.00 0.00 C ATOM 0 H ALA A 61 -0.165 -9.582 -7.394 1.00 0.00 H new ATOM 0 HA ALA A 61 1.188 -7.742 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.110 -8.275 -7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.219 -9.740 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.005 -9.061 -8.376 1.00 0.00 H new ATOM 912 N ASP A 62 0.136 -6.553 -8.583 1.00 0.00 N ATOM 913 CA ASP A 62 0.004 -5.339 -9.380 1.00 0.00 C ATOM 914 C ASP A 62 -1.404 -4.762 -9.262 1.00 0.00 C ATOM 915 O ASP A 62 -1.928 -4.179 -10.210 1.00 0.00 O ATOM 916 CB ASP A 62 0.328 -5.628 -10.846 1.00 0.00 C ATOM 917 CG ASP A 62 1.808 -5.862 -11.076 1.00 0.00 C ATOM 918 OD1 ASP A 62 2.613 -5.468 -10.206 1.00 0.00 O ATOM 919 OD2 ASP A 62 2.162 -6.437 -12.127 1.00 0.00 O ATOM 0 H ASP A 62 -0.473 -7.317 -8.874 1.00 0.00 H new ATOM 0 HA ASP A 62 0.712 -4.604 -8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.231 -6.505 -11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.004 -4.791 -11.460 1.00 0.00 H new ATOM 924 N ALA A 63 -2.011 -4.931 -8.092 1.00 0.00 N ATOM 925 CA ALA A 63 -3.357 -4.427 -7.849 1.00 0.00 C ATOM 926 C ALA A 63 -3.390 -2.903 -7.901 1.00 0.00 C ATOM 927 O ALA A 63 -2.454 -2.236 -7.458 1.00 0.00 O ATOM 928 CB ALA A 63 -3.872 -4.923 -6.506 1.00 0.00 C ATOM 0 H ALA A 63 -1.592 -5.413 -7.297 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.008 -4.805 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.878 -4.539 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.895 -6.013 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.213 -4.573 -5.712 1.00 0.00 H new ATOM 934 N LEU A 64 -4.472 -2.358 -8.445 1.00 0.00 N ATOM 935 CA LEU A 64 -4.627 -0.912 -8.556 1.00 0.00 C ATOM 936 C LEU A 64 -5.189 -0.324 -7.265 1.00 0.00 C ATOM 937 O LEU A 64 -4.857 0.799 -6.886 1.00 0.00 O ATOM 938 CB LEU A 64 -5.545 -0.565 -9.730 1.00 0.00 C ATOM 939 CG LEU A 64 -5.124 -1.112 -11.094 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.292 -1.073 -12.068 1.00 0.00 C ATOM 941 CD2 LEU A 64 -3.943 -0.325 -11.643 1.00 0.00 C ATOM 0 H LEU A 64 -5.255 -2.896 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.643 -0.479 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.545 -0.935 -9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.616 0.520 -9.802 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.816 -2.150 -10.969 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.974 -1.466 -13.034 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.110 -1.681 -11.680 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.631 -0.044 -12.189 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.657 -0.728 -12.614 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.224 0.722 -11.753 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.101 -0.405 -10.955 1.00 0.00 H new ATOM 953 N ASP A 65 -6.041 -1.091 -6.594 1.00 0.00 N ATOM 954 CA ASP A 65 -6.648 -0.648 -5.344 1.00 0.00 C ATOM 955 C ASP A 65 -5.577 -0.294 -4.317 1.00 0.00 C ATOM 956 O ASP A 65 -5.691 0.706 -3.608 1.00 0.00 O ATOM 957 CB ASP A 65 -7.568 -1.735 -4.786 1.00 0.00 C ATOM 958 CG ASP A 65 -6.993 -3.127 -4.960 1.00 0.00 C ATOM 959 OD1 ASP A 65 -6.762 -3.533 -6.118 1.00 0.00 O ATOM 960 OD2 ASP A 65 -6.773 -3.809 -3.938 1.00 0.00 O ATOM 0 H ASP A 65 -6.327 -2.023 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.238 0.245 -5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.745 -1.548 -3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.535 -1.680 -5.286 1.00 0.00 H new ATOM 965 N ILE A 66 -4.540 -1.121 -4.242 1.00 0.00 N ATOM 966 CA ILE A 66 -3.450 -0.894 -3.301 1.00 0.00 C ATOM 967 C ILE A 66 -2.592 0.292 -3.728 1.00 0.00 C ATOM 968 O ILE A 66 -2.379 0.520 -4.920 1.00 0.00 O ATOM 969 CB ILE A 66 -2.553 -2.139 -3.168 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.863 -2.443 -4.499 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.373 -3.335 -2.705 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.785 -3.499 -4.394 1.00 0.00 C ATOM 0 H ILE A 66 -4.432 -1.954 -4.821 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.907 -0.680 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.785 -1.937 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.612 -2.770 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.424 -1.525 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.726 -4.207 -2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.822 -3.115 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.160 -3.540 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.339 -3.663 -5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.016 -3.166 -3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.222 -4.430 -4.034 1.00 0.00 H new ATOM 984 N HIS A 67 -2.102 1.044 -2.748 1.00 0.00 N ATOM 985 CA HIS A 67 -1.264 2.207 -3.023 1.00 0.00 C ATOM 986 C HIS A 67 -0.115 2.297 -2.023 1.00 0.00 C ATOM 987 O HIS A 67 -0.192 1.788 -0.905 1.00 0.00 O ATOM 988 CB HIS A 67 -2.100 3.486 -2.974 1.00 0.00 C ATOM 989 CG HIS A 67 -3.014 3.650 -4.149 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.600 4.165 -5.359 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.329 3.362 -4.294 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.621 4.188 -6.197 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.682 3.705 -5.576 1.00 0.00 N ATOM 0 H HIS A 67 -2.270 0.870 -1.757 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.844 2.094 -4.023 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.693 3.487 -2.060 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.432 4.345 -2.922 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.979 2.941 -3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.593 4.542 -7.217 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.612 3.603 -5.982 1.00 0.00 H new ATOM 1002 N PRO A 68 0.977 2.959 -2.434 1.00 0.00 N ATOM 1003 CA PRO A 68 2.163 3.131 -1.590 1.00 0.00 C ATOM 1004 C PRO A 68 1.910 4.076 -0.421 1.00 0.00 C ATOM 1005 O PRO A 68 1.011 4.916 -0.472 1.00 0.00 O ATOM 1006 CB PRO A 68 3.196 3.728 -2.548 1.00 0.00 C ATOM 1007 CG PRO A 68 2.389 4.409 -3.599 1.00 0.00 C ATOM 1008 CD PRO A 68 1.138 3.590 -3.755 1.00 0.00 C ATOM 0 HA PRO A 68 2.478 2.193 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.852 4.431 -2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.832 2.954 -2.977 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.152 5.432 -3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.939 4.465 -4.539 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.280 4.212 -4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.240 2.847 -4.546 1.00 0.00 H new ATOM 1016 N VAL A 69 2.708 3.935 0.632 1.00 0.00 N ATOM 1017 CA VAL A 69 2.572 4.778 1.814 1.00 0.00 C ATOM 1018 C VAL A 69 2.508 6.253 1.432 1.00 0.00 C ATOM 1019 O VAL A 69 3.097 6.674 0.438 1.00 0.00 O ATOM 1020 CB VAL A 69 3.740 4.563 2.795 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.655 5.549 3.950 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.750 3.130 3.305 1.00 0.00 C ATOM 0 H VAL A 69 3.456 3.244 0.691 1.00 0.00 H new ATOM 0 HA VAL A 69 1.641 4.491 2.302 1.00 0.00 H new ATOM 0 HB VAL A 69 4.675 4.742 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.488 5.382 4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.701 6.567 3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.715 5.405 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.582 2.996 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.812 2.920 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.863 2.445 2.464 1.00 0.00 H new ATOM 1032 N GLY A 70 1.787 7.034 2.231 1.00 0.00 N ATOM 1033 CA GLY A 70 1.660 8.454 1.961 1.00 0.00 C ATOM 1034 C GLY A 70 0.991 8.733 0.629 1.00 0.00 C ATOM 1035 O GLY A 70 1.341 9.692 -0.059 1.00 0.00 O ATOM 0 H GLY A 70 1.289 6.709 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.084 8.922 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.649 8.913 1.971 1.00 0.00 H new ATOM 1039 N TRP A 71 0.029 7.894 0.265 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.689 8.054 -0.994 1.00 0.00 C ATOM 1041 C TRP A 71 -1.993 8.815 -0.785 1.00 0.00 C ATOM 1042 O TRP A 71 -2.237 9.836 -1.429 1.00 0.00 O ATOM 1043 CB TRP A 71 -0.976 6.687 -1.619 1.00 0.00 C ATOM 1044 CG TRP A 71 -1.880 6.758 -2.812 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.506 6.931 -4.114 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.308 6.659 -2.812 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.616 6.945 -4.924 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -3.734 6.780 -4.150 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.269 6.479 -1.814 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.078 6.727 -4.511 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.602 6.427 -2.173 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -5.996 6.549 -3.512 1.00 0.00 C ATOM 0 H TRP A 71 -0.272 7.096 0.824 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.059 8.630 -1.671 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.034 6.225 -1.913 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.428 6.039 -0.868 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.488 7.041 -4.457 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.609 7.060 -5.938 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.975 6.382 -0.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.385 6.823 -5.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.353 6.290 -1.409 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.046 6.502 -3.761 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.827 8.313 0.119 1.00 0.00 N ATOM 1064 CA CYS A 72 -4.108 8.947 0.413 1.00 0.00 C ATOM 1065 C CYS A 72 -3.969 10.466 0.440 1.00 0.00 C ATOM 1066 O CYS A 72 -4.609 11.171 -0.339 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.652 8.448 1.752 1.00 0.00 C ATOM 1068 SG CYS A 72 -5.064 6.687 1.771 1.00 0.00 S ATOM 0 H CYS A 72 -2.640 7.469 0.661 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.809 8.679 -0.378 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.913 8.646 2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -5.543 9.022 2.006 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.260 6.062 2.579 1.00 0.00 H new ATOM 1074 N GLU A 73 -3.131 10.962 1.345 1.00 0.00 N ATOM 1075 CA GLU A 73 -2.911 12.398 1.475 1.00 0.00 C ATOM 1076 C GLU A 73 -2.436 12.997 0.155 1.00 0.00 C ATOM 1077 O GLU A 73 -2.847 14.094 -0.226 1.00 0.00 O ATOM 1078 CB GLU A 73 -1.886 12.681 2.575 1.00 0.00 C ATOM 1079 CG GLU A 73 -2.320 12.203 3.950 1.00 0.00 C ATOM 1080 CD GLU A 73 -1.501 12.818 5.068 1.00 0.00 C ATOM 1081 OE1 GLU A 73 -0.284 12.544 5.131 1.00 0.00 O ATOM 1082 OE2 GLU A 73 -2.076 13.574 5.879 1.00 0.00 O ATOM 0 H GLU A 73 -2.594 10.392 1.998 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.860 12.863 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.943 12.200 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.696 13.754 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.372 12.446 4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.234 11.117 3.997 1.00 0.00 H new ATOM 1089 N LYS A 74 -1.568 12.270 -0.540 1.00 0.00 N ATOM 1090 CA LYS A 74 -1.036 12.728 -1.818 1.00 0.00 C ATOM 1091 C LYS A 74 -2.160 13.184 -2.743 1.00 0.00 C ATOM 1092 O LYS A 74 -2.234 14.354 -3.118 1.00 0.00 O ATOM 1093 CB LYS A 74 -0.231 11.612 -2.488 1.00 0.00 C ATOM 1094 CG LYS A 74 0.686 12.104 -3.594 1.00 0.00 C ATOM 1095 CD LYS A 74 -0.031 12.153 -4.933 1.00 0.00 C ATOM 1096 CE LYS A 74 0.801 12.871 -5.984 1.00 0.00 C ATOM 1097 NZ LYS A 74 -0.007 13.224 -7.185 1.00 0.00 N ATOM 0 H LYS A 74 -1.218 11.360 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.379 13.577 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.366 11.102 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.920 10.875 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.059 13.097 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.553 11.447 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.247 11.139 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.988 12.661 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.227 13.777 -5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.636 12.237 -6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.596 13.712 -7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.393 12.357 -7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.789 13.850 -6.905 1.00 0.00 H new ATOM 1111 N THR A 75 -3.036 12.252 -3.107 1.00 0.00 N ATOM 1112 CA THR A 75 -4.156 12.558 -3.988 1.00 0.00 C ATOM 1113 C THR A 75 -5.155 13.484 -3.305 1.00 0.00 C ATOM 1114 O THR A 75 -5.583 14.484 -3.880 1.00 0.00 O ATOM 1115 CB THR A 75 -4.884 11.277 -4.437 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.519 10.655 -3.313 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.913 10.300 -5.081 1.00 0.00 C ATOM 0 H THR A 75 -2.991 11.279 -2.805 1.00 0.00 H new ATOM 0 HA THR A 75 -3.742 13.057 -4.864 1.00 0.00 H new ATOM 0 HB THR A 75 -5.638 11.554 -5.174 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.981 9.842 -3.607 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.450 9.403 -5.390 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.453 10.766 -5.953 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.139 10.030 -4.363 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.523 13.145 -2.073 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.470 13.958 -1.331 1.00 0.00 C ATOM 1127 C GLY A 76 -7.626 13.146 -0.782 1.00 0.00 C ATOM 1128 O GLY A 76 -8.788 13.521 -0.941 1.00 0.00 O ATOM 0 H GLY A 76 -5.183 12.322 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.954 14.452 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.857 14.743 -1.981 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.309 12.028 -0.137 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.331 11.160 0.436 1.00 0.00 C ATOM 1134 C HIS A 77 -8.133 11.009 1.942 1.00 0.00 C ATOM 1135 O HIS A 77 -7.032 11.201 2.457 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.298 9.786 -0.234 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.509 8.952 0.049 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -9.633 8.162 1.172 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -10.655 8.789 -0.652 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -10.802 7.548 1.149 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -11.442 7.911 0.052 1.00 0.00 N ATOM 0 H HIS A 77 -6.353 11.702 0.002 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.304 11.619 0.259 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.202 9.919 -1.312 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.411 9.249 0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.904 9.262 -1.591 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -11.172 6.865 1.900 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.370 7.591 -0.227 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.208 10.664 2.643 1.00 0.00 N ATOM 1151 CA LYS A 78 -9.154 10.486 4.089 1.00 0.00 C ATOM 1152 C LYS A 78 -8.788 9.049 4.448 1.00 0.00 C ATOM 1153 O LYS A 78 -9.578 8.127 4.243 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.500 10.852 4.719 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.469 10.898 6.237 1.00 0.00 C ATOM 1156 CD LYS A 78 -9.740 12.132 6.742 1.00 0.00 C ATOM 1157 CE LYS A 78 -10.672 13.330 6.838 1.00 0.00 C ATOM 1158 NZ LYS A 78 -10.936 13.935 5.503 1.00 0.00 N ATOM 0 H LYS A 78 -10.128 10.502 2.233 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.383 11.148 4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.816 11.824 4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.249 10.127 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.488 10.893 6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.979 10.003 6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.309 11.926 7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.912 12.366 6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.615 13.022 7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.233 14.080 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.161 14.944 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.092 13.834 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.739 13.450 5.055 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.586 8.867 4.984 1.00 0.00 N ATOM 1173 CA LEU A 79 -7.116 7.542 5.373 1.00 0.00 C ATOM 1174 C LEU A 79 -7.693 7.133 6.724 1.00 0.00 C ATOM 1175 O LEU A 79 -7.903 7.973 7.601 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.587 7.519 5.431 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.962 6.353 6.198 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.333 5.028 5.550 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.450 6.510 6.268 1.00 0.00 C ATOM 0 H LEU A 79 -6.920 9.619 5.159 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.457 6.828 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.205 7.503 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.246 8.450 5.884 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.355 6.359 7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.879 4.210 6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.417 4.912 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.969 5.011 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.022 5.671 6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.039 6.530 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.204 7.441 6.778 1.00 0.00 H new ATOM 1191 N HIS A 80 -7.948 5.839 6.887 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.499 5.318 8.133 1.00 0.00 C ATOM 1193 C HIS A 80 -7.423 4.604 8.946 1.00 0.00 C ATOM 1194 O HIS A 80 -6.688 3.757 8.439 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.655 4.361 7.843 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.817 5.015 7.160 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.123 4.840 7.565 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.863 5.848 6.095 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.923 5.537 6.778 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.183 6.158 5.877 1.00 0.00 N ATOM 0 H HIS A 80 -7.782 5.131 6.171 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.872 6.160 8.717 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.292 3.543 7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.996 3.921 8.780 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.019 6.203 5.523 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.999 5.590 6.858 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.535 6.768 5.139 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.327 4.954 10.237 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.345 4.358 11.148 1.00 0.00 C ATOM 1211 C PRO A 81 -6.657 2.900 11.465 1.00 0.00 C ATOM 1212 O PRO A 81 -7.758 2.408 11.217 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.464 5.217 12.409 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.848 5.766 12.365 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.171 5.957 10.908 1.00 0.00 C ATOM 0 HA PRO A 81 -5.344 4.346 10.716 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.302 4.624 13.309 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.722 6.015 12.416 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.554 5.082 12.835 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.911 6.710 12.906 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.229 5.792 10.706 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.937 6.968 10.574 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.667 2.190 12.026 1.00 0.00 N ATOM 1224 CA PRO A 82 -5.813 0.778 12.389 1.00 0.00 C ATOM 1225 C PRO A 82 -6.757 0.578 13.570 1.00 0.00 C ATOM 1226 O PRO A 82 -7.476 1.495 13.966 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.390 0.359 12.766 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.723 1.623 13.190 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.328 2.712 12.349 1.00 0.00 C ATOM 0 HA PRO A 82 -6.244 0.191 11.578 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.394 -0.376 13.571 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.874 -0.097 11.921 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.886 1.813 14.251 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.645 1.566 13.038 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.385 3.655 12.893 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.741 2.898 11.449 1.00 0.00 H new ATOM 1237 N LYS A 83 -6.751 -0.628 14.129 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.606 -0.949 15.266 1.00 0.00 C ATOM 1239 C LYS A 83 -7.145 -0.211 16.518 1.00 0.00 C ATOM 1240 O LYS A 83 -5.988 -0.318 16.924 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.605 -2.458 15.520 1.00 0.00 C ATOM 1242 CG LYS A 83 -6.295 -2.978 16.088 1.00 0.00 C ATOM 1243 CD LYS A 83 -6.286 -2.927 17.607 1.00 0.00 C ATOM 1244 CE LYS A 83 -6.894 -4.185 18.210 1.00 0.00 C ATOM 1245 NZ LYS A 83 -6.370 -4.452 19.578 1.00 0.00 N ATOM 0 H LYS A 83 -6.163 -1.399 13.813 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.620 -0.627 15.029 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.413 -2.703 16.210 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.817 -2.976 14.584 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.136 -4.004 15.757 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.468 -2.385 15.698 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.262 -2.810 17.962 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.843 -2.054 17.946 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.978 -4.081 18.250 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.679 -5.037 17.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.808 -5.317 19.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.338 -4.576 19.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.597 -3.650 20.200 1.00 0.00 H new ATOM 1259 N GLY A 84 -8.059 0.539 17.128 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.726 1.282 18.329 1.00 0.00 C ATOM 1261 C GLY A 84 -6.848 2.484 18.043 1.00 0.00 C ATOM 1262 O GLY A 84 -6.051 2.894 18.887 1.00 0.00 O ATOM 0 H GLY A 84 -9.023 0.645 16.812 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.644 1.614 18.813 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.216 0.622 19.031 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.992 3.049 16.850 1.00 0.00 N ATOM 1267 CA TYR A 85 -6.202 4.208 16.453 1.00 0.00 C ATOM 1268 C TYR A 85 -7.076 5.253 15.765 1.00 0.00 C ATOM 1269 O TYR A 85 -8.005 4.918 15.031 1.00 0.00 O ATOM 1270 CB TYR A 85 -5.067 3.783 15.520 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.818 3.340 16.248 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -3.659 2.022 16.657 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -2.797 4.240 16.527 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -2.521 1.613 17.323 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -1.654 3.839 17.192 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.521 2.525 17.588 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.384 2.121 18.251 1.00 0.00 O ATOM 0 H TYR A 85 -7.649 2.723 16.141 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.777 4.651 17.353 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.416 2.968 14.885 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.818 4.616 14.862 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -4.439 1.305 16.450 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.898 5.270 16.219 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.414 0.584 17.635 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.869 4.551 17.400 1.00 0.00 H new ATOM 0 HH TYR A 85 0.221 2.884 18.357 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.770 6.523 16.009 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.524 7.620 15.414 1.00 0.00 C ATOM 1289 C LYS A 86 -6.673 8.378 14.400 1.00 0.00 C ATOM 1290 O LYS A 86 -5.468 8.541 14.587 1.00 0.00 O ATOM 1291 CB LYS A 86 -8.015 8.578 16.501 1.00 0.00 C ATOM 1292 CG LYS A 86 -9.245 9.374 16.101 1.00 0.00 C ATOM 1293 CD LYS A 86 -9.597 10.420 17.145 1.00 0.00 C ATOM 1294 CE LYS A 86 -10.188 9.784 18.394 1.00 0.00 C ATOM 1295 NZ LYS A 86 -11.657 9.575 18.268 1.00 0.00 N ATOM 0 H LYS A 86 -6.004 6.818 16.615 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.385 7.197 14.896 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.239 8.007 17.402 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.211 9.270 16.754 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.068 9.861 15.142 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.089 8.697 15.964 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.704 10.985 17.411 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.310 11.130 16.725 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.700 8.827 18.580 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.984 10.419 19.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.022 9.140 19.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.126 10.491 18.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.851 8.948 17.461 1.00 0.00 H new ATOM 1309 N GLU A 87 -7.309 8.840 13.328 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.609 9.582 12.285 1.00 0.00 C ATOM 1311 C GLU A 87 -5.602 10.555 12.893 1.00 0.00 C ATOM 1312 O GLU A 87 -4.431 10.569 12.514 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.607 10.343 11.412 1.00 0.00 C ATOM 1314 CG GLU A 87 -8.496 11.297 12.193 1.00 0.00 C ATOM 1315 CD GLU A 87 -9.622 11.866 11.352 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -10.393 11.071 10.774 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -9.732 13.107 11.271 1.00 0.00 O ATOM 0 H GLU A 87 -8.307 8.714 13.159 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.069 8.866 11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.060 10.906 10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.235 9.626 10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.917 10.774 13.052 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.890 12.115 12.583 1.00 0.00 H new ATOM 1324 N GLU A 88 -6.068 11.367 13.837 1.00 0.00 N ATOM 1325 CA GLU A 88 -5.209 12.344 14.495 1.00 0.00 C ATOM 1326 C GLU A 88 -4.139 11.650 15.333 1.00 0.00 C ATOM 1327 O GLU A 88 -3.006 12.122 15.426 1.00 0.00 O ATOM 1328 CB GLU A 88 -6.042 13.274 15.379 1.00 0.00 C ATOM 1329 CG GLU A 88 -6.681 12.574 16.567 1.00 0.00 C ATOM 1330 CD GLU A 88 -7.798 13.387 17.191 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -8.479 14.126 16.450 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -7.991 13.285 18.421 1.00 0.00 O ATOM 0 H GLU A 88 -7.035 11.367 14.163 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.715 12.934 13.723 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.406 14.081 15.743 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.824 13.732 14.774 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.074 11.609 16.247 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.918 12.374 17.319 1.00 0.00 H new ATOM 1339 N GLU A 89 -4.508 10.528 15.943 1.00 0.00 N ATOM 1340 CA GLU A 89 -3.581 9.770 16.775 1.00 0.00 C ATOM 1341 C GLU A 89 -2.826 8.736 15.945 1.00 0.00 C ATOM 1342 O GLU A 89 -2.452 7.675 16.445 1.00 0.00 O ATOM 1343 CB GLU A 89 -4.332 9.077 17.913 1.00 0.00 C ATOM 1344 CG GLU A 89 -5.099 10.035 18.809 1.00 0.00 C ATOM 1345 CD GLU A 89 -5.411 9.440 20.168 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -4.609 8.614 20.652 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -6.457 9.800 20.748 1.00 0.00 O ATOM 0 H GLU A 89 -5.442 10.124 15.877 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.859 10.468 17.198 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.028 8.353 17.490 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.620 8.517 18.519 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.517 10.947 18.941 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.030 10.319 18.318 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.607 9.052 14.673 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.898 8.150 13.772 1.00 0.00 C ATOM 1356 C PHE A 90 -0.979 8.929 12.835 1.00 0.00 C ATOM 1357 O PHE A 90 -1.422 9.823 12.116 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.895 7.324 12.956 1.00 0.00 C ATOM 1359 CG PHE A 90 -2.241 6.309 12.062 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -1.332 5.398 12.574 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -2.536 6.267 10.708 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.729 4.463 11.754 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -1.937 5.334 9.884 1.00 0.00 C ATOM 1364 CZ PHE A 90 -1.031 4.432 10.406 1.00 0.00 C ATOM 0 H PHE A 90 -2.910 9.926 14.243 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.288 7.478 14.376 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.575 6.812 13.637 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.500 7.996 12.348 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.091 5.419 13.627 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.242 6.971 10.293 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.023 3.758 12.166 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.177 5.310 8.831 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.560 3.704 9.762 1.00 0.00 H new ATOM 1374 N ASN A 91 0.304 8.582 12.851 1.00 0.00 N ATOM 1375 CA ASN A 91 1.286 9.248 12.004 1.00 0.00 C ATOM 1376 C ASN A 91 2.224 8.234 11.358 1.00 0.00 C ATOM 1377 O ASN A 91 2.861 7.435 12.045 1.00 0.00 O ATOM 1378 CB ASN A 91 2.094 10.258 12.822 1.00 0.00 C ATOM 1379 CG ASN A 91 1.432 11.621 12.876 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.413 11.802 13.543 1.00 0.00 O ATOM 1381 ND2 ASN A 91 2.009 12.587 12.172 1.00 0.00 N ATOM 0 H ASN A 91 0.687 7.844 13.441 1.00 0.00 H new ATOM 0 HA ASN A 91 0.750 9.775 11.214 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.223 9.880 13.836 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.090 10.358 12.390 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.608 13.525 12.169 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.853 12.391 11.634 1.00 0.00 H new ATOM 1388 N TRP A 92 2.305 8.272 10.033 1.00 0.00 N ATOM 1389 CA TRP A 92 3.166 7.356 9.293 1.00 0.00 C ATOM 1390 C TRP A 92 4.617 7.495 9.737 1.00 0.00 C ATOM 1391 O TRP A 92 5.161 6.607 10.394 1.00 0.00 O ATOM 1392 CB TRP A 92 3.052 7.618 7.790 1.00 0.00 C ATOM 1393 CG TRP A 92 1.974 6.815 7.127 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.851 7.296 6.517 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.918 5.389 7.009 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.100 6.256 6.027 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.732 5.076 6.315 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.753 4.347 7.419 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.365 3.764 6.025 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.386 3.046 7.132 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.201 2.764 6.440 1.00 0.00 C ATOM 0 H TRP A 92 1.785 8.927 9.449 1.00 0.00 H new ATOM 0 HA TRP A 92 2.837 6.338 9.503 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.858 8.678 7.627 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.007 7.392 7.316 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.592 8.341 6.432 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.785 6.348 5.529 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.670 4.555 7.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.548 3.544 5.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.023 2.233 7.446 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.942 1.737 6.230 1.00 0.00 H new ATOM 1412 N GLN A 93 5.238 8.612 9.375 1.00 0.00 N ATOM 1413 CA GLN A 93 6.628 8.865 9.737 1.00 0.00 C ATOM 1414 C GLN A 93 6.912 8.403 11.163 1.00 0.00 C ATOM 1415 O GLN A 93 7.867 7.666 11.410 1.00 0.00 O ATOM 1416 CB GLN A 93 6.951 10.354 9.597 1.00 0.00 C ATOM 1417 CG GLN A 93 5.753 11.261 9.832 1.00 0.00 C ATOM 1418 CD GLN A 93 4.990 11.561 8.558 1.00 0.00 C ATOM 1419 OE1 GLN A 93 5.556 12.059 7.584 1.00 0.00 O ATOM 1420 NE2 GLN A 93 3.697 11.260 8.557 1.00 0.00 N ATOM 0 H GLN A 93 4.801 9.356 8.831 1.00 0.00 H new ATOM 0 HA GLN A 93 7.263 8.297 9.057 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.738 10.615 10.305 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.346 10.539 8.598 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.082 10.791 10.551 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.092 12.197 10.277 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.269 10.848 9.386 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.132 11.440 7.727 1.00 0.00 H new ATOM 1429 N THR A 94 6.076 8.841 12.099 1.00 0.00 N ATOM 1430 CA THR A 94 6.238 8.474 13.500 1.00 0.00 C ATOM 1431 C THR A 94 6.224 6.960 13.677 1.00 0.00 C ATOM 1432 O THR A 94 7.029 6.405 14.425 1.00 0.00 O ATOM 1433 CB THR A 94 5.130 9.092 14.374 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.884 10.443 13.970 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.520 9.060 15.844 1.00 0.00 C ATOM 0 H THR A 94 5.280 9.450 11.912 1.00 0.00 H new ATOM 0 HA THR A 94 7.204 8.865 13.820 1.00 0.00 H new ATOM 0 HB THR A 94 4.222 8.503 14.242 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.177 10.828 14.529 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.723 9.502 16.442 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.678 8.028 16.156 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.439 9.628 15.989 1.00 0.00 H new ATOM 1443 N TYR A 95 5.305 6.297 12.983 1.00 0.00 N ATOM 1444 CA TYR A 95 5.186 4.846 13.065 1.00 0.00 C ATOM 1445 C TYR A 95 6.287 4.162 12.261 1.00 0.00 C ATOM 1446 O TYR A 95 6.581 2.983 12.465 1.00 0.00 O ATOM 1447 CB TYR A 95 3.815 4.397 12.557 1.00 0.00 C ATOM 1448 CG TYR A 95 3.700 2.901 12.366 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.300 2.019 13.256 1.00 0.00 C ATOM 1450 CD2 TYR A 95 2.990 2.371 11.296 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.198 0.652 13.084 1.00 0.00 C ATOM 1452 CE2 TYR A 95 2.882 1.005 11.117 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.488 0.150 12.014 1.00 0.00 C ATOM 1454 OH TYR A 95 3.383 -1.211 11.841 1.00 0.00 O ATOM 0 H TYR A 95 4.632 6.741 12.358 1.00 0.00 H new ATOM 0 HA TYR A 95 5.292 4.557 14.111 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.051 4.725 13.262 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.608 4.893 11.609 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.855 2.408 14.096 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.514 3.038 10.592 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.672 -0.020 13.784 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.326 0.609 10.280 1.00 0.00 H new ATOM 0 HH TYR A 95 2.446 -1.449 11.680 1.00 0.00 H new ATOM 1464 N LEU A 96 6.896 4.911 11.348 1.00 0.00 N ATOM 1465 CA LEU A 96 7.967 4.379 10.513 1.00 0.00 C ATOM 1466 C LEU A 96 9.322 4.547 11.192 1.00 0.00 C ATOM 1467 O LEU A 96 10.289 3.867 10.849 1.00 0.00 O ATOM 1468 CB LEU A 96 7.975 5.079 9.153 1.00 0.00 C ATOM 1469 CG LEU A 96 6.700 4.944 8.320 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.525 6.151 7.411 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.729 3.660 7.505 1.00 0.00 C ATOM 0 H LEU A 96 6.666 5.888 11.167 1.00 0.00 H new ATOM 0 HA LEU A 96 7.785 3.314 10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.169 6.139 9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.809 4.687 8.570 1.00 0.00 H new ATOM 0 HG LEU A 96 5.849 4.901 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.612 6.037 6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.458 7.055 8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.380 6.227 6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.814 3.581 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.589 3.673 6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.805 2.805 8.176 1.00 0.00 H new ATOM 1483 N LYS A 97 9.384 5.456 12.159 1.00 0.00 N ATOM 1484 CA LYS A 97 10.619 5.711 12.891 1.00 0.00 C ATOM 1485 C LYS A 97 10.776 4.735 14.053 1.00 0.00 C ATOM 1486 O LYS A 97 11.888 4.325 14.388 1.00 0.00 O ATOM 1487 CB LYS A 97 10.638 7.150 13.413 1.00 0.00 C ATOM 1488 CG LYS A 97 10.018 7.305 14.791 1.00 0.00 C ATOM 1489 CD LYS A 97 11.049 7.114 15.891 1.00 0.00 C ATOM 1490 CE LYS A 97 11.839 8.389 16.142 1.00 0.00 C ATOM 1491 NZ LYS A 97 12.481 8.388 17.486 1.00 0.00 N ATOM 0 H LYS A 97 8.593 6.029 12.454 1.00 0.00 H new ATOM 0 HA LYS A 97 11.454 5.568 12.205 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.669 7.502 13.446 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.105 7.790 12.710 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.569 8.294 14.880 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.215 6.578 14.914 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.549 6.807 16.810 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.732 6.310 15.616 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.605 8.499 15.374 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.176 9.250 16.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.010 9.274 17.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.749 8.308 18.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.133 7.581 17.559 1.00 0.00 H new ATOM 1505 N THR A 98 9.655 4.365 14.664 1.00 0.00 N ATOM 1506 CA THR A 98 9.667 3.437 15.787 1.00 0.00 C ATOM 1507 C THR A 98 9.875 2.003 15.313 1.00 0.00 C ATOM 1508 O THR A 98 10.384 1.162 16.055 1.00 0.00 O ATOM 1509 CB THR A 98 8.358 3.514 16.595 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.462 2.710 17.775 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.177 3.046 15.757 1.00 0.00 C ATOM 0 H THR A 98 8.727 4.694 14.399 1.00 0.00 H new ATOM 0 HA THR A 98 10.498 3.729 16.429 1.00 0.00 H new ATOM 0 HB THR A 98 8.192 4.553 16.879 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.626 2.766 18.284 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.264 3.109 16.348 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.083 3.680 14.875 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.338 2.014 15.447 1.00 0.00 H new ATOM 1519 N CYS A 99 9.479 1.731 14.075 1.00 0.00 N ATOM 1520 CA CYS A 99 9.622 0.397 13.502 1.00 0.00 C ATOM 1521 C CYS A 99 10.746 0.365 12.472 1.00 0.00 C ATOM 1522 O CYS A 99 10.830 -0.553 11.656 1.00 0.00 O ATOM 1523 CB CYS A 99 8.309 -0.047 12.856 1.00 0.00 C ATOM 1524 SG CYS A 99 7.169 -0.871 13.992 1.00 0.00 S ATOM 0 H CYS A 99 9.056 2.416 13.448 1.00 0.00 H new ATOM 0 HA CYS A 99 9.873 -0.292 14.308 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.813 0.825 12.430 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.533 -0.722 12.030 1.00 0.00 H new ATOM 0 HG CYS A 99 6.115 -1.263 13.340 1.00 0.00 H new ATOM 1530 N LYS A 100 11.608 1.376 12.513 1.00 0.00 N ATOM 1531 CA LYS A 100 12.728 1.465 11.583 1.00 0.00 C ATOM 1532 C LYS A 100 12.370 0.840 10.239 1.00 0.00 C ATOM 1533 O LYS A 100 13.202 0.193 9.604 1.00 0.00 O ATOM 1534 CB LYS A 100 13.960 0.772 12.169 1.00 0.00 C ATOM 1535 CG LYS A 100 13.655 -0.571 12.809 1.00 0.00 C ATOM 1536 CD LYS A 100 13.194 -0.411 14.248 1.00 0.00 C ATOM 1537 CE LYS A 100 13.009 -1.760 14.927 1.00 0.00 C ATOM 1538 NZ LYS A 100 14.310 -2.445 15.163 1.00 0.00 N ATOM 0 H LYS A 100 11.552 2.145 13.180 1.00 0.00 H new ATOM 0 HA LYS A 100 12.954 2.520 11.424 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.697 0.629 11.378 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.414 1.425 12.914 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.883 -1.082 12.234 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.545 -1.200 12.779 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.924 0.179 14.802 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.254 0.141 14.271 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.494 -1.621 15.878 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.372 -2.393 14.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.163 -3.264 15.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.702 -2.767 14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.975 -1.783 15.612 1.00 0.00 H new ATOM 1552 N ALA A 101 11.127 1.038 9.811 1.00 0.00 N ATOM 1553 CA ALA A 101 10.661 0.496 8.541 1.00 0.00 C ATOM 1554 C ALA A 101 10.483 1.601 7.505 1.00 0.00 C ATOM 1555 O ALA A 101 10.015 2.694 7.825 1.00 0.00 O ATOM 1556 CB ALA A 101 9.356 -0.261 8.737 1.00 0.00 C ATOM 0 H ALA A 101 10.425 1.570 10.326 1.00 0.00 H new ATOM 0 HA ALA A 101 11.417 -0.196 8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.020 -0.660 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.513 -1.081 9.438 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.599 0.415 9.134 1.00 0.00 H new ATOM 1562 N GLN A 102 10.860 1.309 6.264 1.00 0.00 N ATOM 1563 CA GLN A 102 10.743 2.280 5.183 1.00 0.00 C ATOM 1564 C GLN A 102 9.482 2.031 4.362 1.00 0.00 C ATOM 1565 O GLN A 102 9.144 0.888 4.056 1.00 0.00 O ATOM 1566 CB GLN A 102 11.975 2.218 4.278 1.00 0.00 C ATOM 1567 CG GLN A 102 12.198 0.853 3.647 1.00 0.00 C ATOM 1568 CD GLN A 102 13.494 0.776 2.864 1.00 0.00 C ATOM 1569 OE1 GLN A 102 13.775 1.630 2.023 1.00 0.00 O ATOM 1570 NE2 GLN A 102 14.291 -0.250 3.137 1.00 0.00 N ATOM 0 H GLN A 102 11.249 0.409 5.983 1.00 0.00 H new ATOM 0 HA GLN A 102 10.676 3.273 5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.873 2.962 3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.856 2.489 4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.204 0.093 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.364 0.623 2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.018 -0.934 3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.177 -0.354 2.642 1.00 0.00 H new ATOM 1579 N ALA A 103 8.789 3.109 4.010 1.00 0.00 N ATOM 1580 CA ALA A 103 7.566 3.008 3.224 1.00 0.00 C ATOM 1581 C ALA A 103 7.841 2.391 1.857 1.00 0.00 C ATOM 1582 O ALA A 103 8.805 2.755 1.184 1.00 0.00 O ATOM 1583 CB ALA A 103 6.925 4.379 3.067 1.00 0.00 C ATOM 0 H ALA A 103 9.054 4.062 4.257 1.00 0.00 H new ATOM 0 HA ALA A 103 6.875 2.354 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.012 4.289 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.684 4.783 4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.619 5.049 2.560 1.00 0.00 H new ATOM 1589 N ALA A 104 6.989 1.454 1.453 1.00 0.00 N ATOM 1590 CA ALA A 104 7.141 0.787 0.166 1.00 0.00 C ATOM 1591 C ALA A 104 7.392 1.797 -0.949 1.00 0.00 C ATOM 1592 O ALA A 104 6.854 2.904 -0.950 1.00 0.00 O ATOM 1593 CB ALA A 104 5.907 -0.048 -0.144 1.00 0.00 C ATOM 0 H ALA A 104 6.187 1.140 1.999 1.00 0.00 H new ATOM 0 HA ALA A 104 8.007 0.128 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.034 -0.541 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.772 -0.800 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.030 0.598 -0.179 1.00 0.00 H new ATOM 1599 N PRO A 105 8.230 1.408 -1.922 1.00 0.00 N ATOM 1600 CA PRO A 105 8.572 2.266 -3.061 1.00 0.00 C ATOM 1601 C PRO A 105 7.397 2.458 -4.014 1.00 0.00 C ATOM 1602 O PRO A 105 6.592 1.549 -4.216 1.00 0.00 O ATOM 1603 CB PRO A 105 9.703 1.501 -3.753 1.00 0.00 C ATOM 1604 CG PRO A 105 9.486 0.077 -3.373 1.00 0.00 C ATOM 1605 CD PRO A 105 8.908 0.103 -1.985 1.00 0.00 C ATOM 0 HA PRO A 105 8.850 3.272 -2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.666 1.632 -4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.680 1.854 -3.423 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.806 -0.414 -4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.423 -0.480 -3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.211 -0.720 -1.824 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.684 0.016 -1.225 1.00 0.00 H new ATOM 1613 N LYS A 106 7.305 3.648 -4.599 1.00 0.00 N ATOM 1614 CA LYS A 106 6.230 3.960 -5.533 1.00 0.00 C ATOM 1615 C LYS A 106 6.392 3.175 -6.831 1.00 0.00 C ATOM 1616 O LYS A 106 5.468 3.099 -7.641 1.00 0.00 O ATOM 1617 CB LYS A 106 6.207 5.461 -5.833 1.00 0.00 C ATOM 1618 CG LYS A 106 7.373 5.929 -6.686 1.00 0.00 C ATOM 1619 CD LYS A 106 7.464 7.445 -6.723 1.00 0.00 C ATOM 1620 CE LYS A 106 8.344 7.923 -7.867 1.00 0.00 C ATOM 1621 NZ LYS A 106 8.021 9.320 -8.270 1.00 0.00 N ATOM 0 H LYS A 106 7.962 4.412 -4.442 1.00 0.00 H new ATOM 0 HA LYS A 106 5.286 3.673 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.274 5.707 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.212 6.011 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.302 5.517 -6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.260 5.546 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 106 6.465 7.868 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.865 7.810 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.391 7.864 -7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.219 7.260 -8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.643 9.608 -9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.029 9.372 -8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.165 9.957 -7.461 1.00 0.00 H new ATOM 1635 N SER A 107 7.570 2.590 -7.021 1.00 0.00 N ATOM 1636 CA SER A 107 7.853 1.812 -8.221 1.00 0.00 C ATOM 1637 C SER A 107 6.956 0.581 -8.294 1.00 0.00 C ATOM 1638 O SER A 107 6.504 0.190 -9.372 1.00 0.00 O ATOM 1639 CB SER A 107 9.323 1.388 -8.245 1.00 0.00 C ATOM 1640 OG SER A 107 9.659 0.648 -7.085 1.00 0.00 O ATOM 0 H SER A 107 8.344 2.640 -6.359 1.00 0.00 H new ATOM 0 HA SER A 107 7.649 2.441 -9.088 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.517 0.786 -9.133 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.958 2.271 -8.314 1.00 0.00 H new ATOM 0 HG SER A 107 10.603 0.387 -7.125 1.00 0.00 H new ATOM 1646 N LEU A 108 6.701 -0.027 -7.141 1.00 0.00 N ATOM 1647 CA LEU A 108 5.857 -1.215 -7.072 1.00 0.00 C ATOM 1648 C LEU A 108 4.477 -0.938 -7.661 1.00 0.00 C ATOM 1649 O LEU A 108 3.758 -1.860 -8.045 1.00 0.00 O ATOM 1650 CB LEU A 108 5.720 -1.684 -5.623 1.00 0.00 C ATOM 1651 CG LEU A 108 6.941 -2.386 -5.026 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.842 -2.433 -3.510 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.081 -3.790 -5.597 1.00 0.00 C ATOM 0 H LEU A 108 7.067 0.283 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 108 6.331 -2.002 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.484 -0.819 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.869 -2.363 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 108 7.831 -1.816 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.719 -2.936 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.791 -1.418 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.944 -2.979 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.955 -4.275 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.189 -4.370 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.200 -3.733 -6.679 1.00 0.00 H new ATOM 1665 N PHE A 109 4.115 0.339 -7.731 1.00 0.00 N ATOM 1666 CA PHE A 109 2.822 0.738 -8.274 1.00 0.00 C ATOM 1667 C PHE A 109 2.999 1.602 -9.520 1.00 0.00 C ATOM 1668 O PHE A 109 2.503 2.726 -9.582 1.00 0.00 O ATOM 1669 CB PHE A 109 2.016 1.501 -7.221 1.00 0.00 C ATOM 1670 CG PHE A 109 2.157 0.939 -5.835 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.313 1.153 -5.102 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.134 0.198 -5.266 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.446 0.636 -3.827 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.262 -0.321 -3.991 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.419 -0.100 -3.270 1.00 0.00 C ATOM 0 H PHE A 109 4.699 1.115 -7.419 1.00 0.00 H new ATOM 0 HA PHE A 109 2.279 -0.165 -8.553 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.335 2.543 -7.216 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.963 1.491 -7.503 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.119 1.730 -5.531 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.226 0.024 -5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.353 0.808 -3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.458 -0.899 -3.559 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.520 -0.502 -2.273 1.00 0.00 H new ATOM 1685 N GLU A 110 3.710 1.067 -10.507 1.00 0.00 N ATOM 1686 CA GLU A 110 3.953 1.790 -11.750 1.00 0.00 C ATOM 1687 C GLU A 110 2.827 1.547 -12.751 1.00 0.00 C ATOM 1688 O GLU A 110 2.755 2.200 -13.791 1.00 0.00 O ATOM 1689 CB GLU A 110 5.292 1.366 -12.359 1.00 0.00 C ATOM 1690 CG GLU A 110 5.846 2.362 -13.364 1.00 0.00 C ATOM 1691 CD GLU A 110 6.747 1.710 -14.395 1.00 0.00 C ATOM 1692 OE1 GLU A 110 6.451 0.568 -14.805 1.00 0.00 O ATOM 1693 OE2 GLU A 110 7.749 2.342 -14.791 1.00 0.00 O ATOM 0 H GLU A 110 4.127 0.137 -10.471 1.00 0.00 H new ATOM 0 HA GLU A 110 3.987 2.855 -11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.019 1.228 -11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.170 0.399 -12.848 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.019 2.858 -13.872 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.405 3.134 -12.835 1.00 0.00 H new ATOM 1700 N ASN A 111 1.951 0.601 -12.428 1.00 0.00 N ATOM 1701 CA ASN A 111 0.828 0.270 -13.298 1.00 0.00 C ATOM 1702 C ASN A 111 -0.475 0.837 -12.745 1.00 0.00 C ATOM 1703 O ASN A 111 -1.506 0.165 -12.745 1.00 0.00 O ATOM 1704 CB ASN A 111 0.710 -1.247 -13.458 1.00 0.00 C ATOM 1705 CG ASN A 111 1.936 -1.857 -14.110 1.00 0.00 C ATOM 1706 OD1 ASN A 111 2.719 -2.549 -13.460 1.00 0.00 O ATOM 1707 ND2 ASN A 111 2.107 -1.601 -15.402 1.00 0.00 N ATOM 0 H ASN A 111 1.997 0.050 -11.571 1.00 0.00 H new ATOM 0 HA ASN A 111 1.013 0.719 -14.274 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.558 -1.702 -12.479 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.170 -1.479 -14.057 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.914 -1.984 -15.895 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.432 -1.022 -15.901 1.00 0.00 H new ATOM 1714 N GLN A 112 -0.421 2.079 -12.274 1.00 0.00 N ATOM 1715 CA GLN A 112 -1.598 2.737 -11.717 1.00 0.00 C ATOM 1716 C GLN A 112 -2.086 3.850 -12.638 1.00 0.00 C ATOM 1717 O GLN A 112 -3.268 3.918 -12.972 1.00 0.00 O ATOM 1718 CB GLN A 112 -1.283 3.306 -10.333 1.00 0.00 C ATOM 1719 CG GLN A 112 -0.999 2.239 -9.287 1.00 0.00 C ATOM 1720 CD GLN A 112 -2.257 1.752 -8.595 1.00 0.00 C ATOM 1721 OE1 GLN A 112 -3.349 1.799 -9.162 1.00 0.00 O ATOM 1722 NE2 GLN A 112 -2.110 1.279 -7.363 1.00 0.00 N ATOM 0 H GLN A 112 0.424 2.650 -12.267 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.389 1.993 -11.625 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.420 3.967 -10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -2.123 3.915 -10.000 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.499 1.394 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.311 2.639 -8.542 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -1.186 1.259 -6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -2.921 0.936 -6.848 1.00 0.00 H new ATOM 1731 N ASN A 113 -1.168 4.720 -13.046 1.00 0.00 N ATOM 1732 CA ASN A 113 -1.505 5.831 -13.928 1.00 0.00 C ATOM 1733 C ASN A 113 -0.854 5.656 -15.296 1.00 0.00 C ATOM 1734 O ASN A 113 -0.168 4.665 -15.546 1.00 0.00 O ATOM 1735 CB ASN A 113 -1.062 7.157 -13.305 1.00 0.00 C ATOM 1736 CG ASN A 113 0.243 7.030 -12.543 1.00 0.00 C ATOM 1737 OD1 ASN A 113 1.319 7.282 -13.087 1.00 0.00 O ATOM 1738 ND2 ASN A 113 0.153 6.637 -11.278 1.00 0.00 N ATOM 0 H ASN A 113 -0.184 4.677 -12.780 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.587 5.843 -14.059 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -0.950 7.905 -14.090 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -1.840 7.517 -12.631 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.997 6.533 -10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.760 6.439 -10.869 1.00 0.00 H new ATOM 1745 N ILE A 114 -1.073 6.626 -16.178 1.00 0.00 N ATOM 1746 CA ILE A 114 -0.506 6.580 -17.520 1.00 0.00 C ATOM 1747 C ILE A 114 0.622 7.594 -17.675 1.00 0.00 C ATOM 1748 O ILE A 114 0.405 8.802 -17.581 1.00 0.00 O ATOM 1749 CB ILE A 114 -1.577 6.853 -18.593 1.00 0.00 C ATOM 1750 CG1 ILE A 114 -2.735 5.863 -18.452 1.00 0.00 C ATOM 1751 CG2 ILE A 114 -0.967 6.768 -19.984 1.00 0.00 C ATOM 1752 CD1 ILE A 114 -2.320 4.419 -18.627 1.00 0.00 C ATOM 0 H ILE A 114 -1.639 7.453 -15.987 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.110 5.574 -17.661 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.966 7.861 -18.449 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.189 5.985 -17.469 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.501 6.104 -19.189 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.736 6.963 -20.731 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.173 7.508 -20.079 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -0.554 5.771 -20.140 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.191 3.774 -18.514 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.893 4.281 -19.620 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.577 4.160 -17.873 1.00 0.00 H new ATOM 1764 N THR A 115 1.831 7.094 -17.915 1.00 0.00 N ATOM 1765 CA THR A 115 2.994 7.954 -18.085 1.00 0.00 C ATOM 1766 C THR A 115 2.965 8.660 -19.436 1.00 0.00 C ATOM 1767 O THR A 115 3.488 8.148 -20.426 1.00 0.00 O ATOM 1768 CB THR A 115 4.306 7.156 -17.963 1.00 0.00 C ATOM 1769 OG1 THR A 115 4.366 6.503 -16.691 1.00 0.00 O ATOM 1770 CG2 THR A 115 5.512 8.069 -18.129 1.00 0.00 C ATOM 0 H THR A 115 2.029 6.097 -17.996 1.00 0.00 H new ATOM 0 HA THR A 115 2.955 8.698 -17.289 1.00 0.00 H new ATOM 0 HB THR A 115 4.325 6.408 -18.755 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.202 5.997 -16.622 1.00 0.00 H new ATOM 0 HG21 THR A 115 6.427 7.483 -18.039 1.00 0.00 H new ATOM 0 HG22 THR A 115 5.479 8.541 -19.111 1.00 0.00 H new ATOM 0 HG23 THR A 115 5.496 8.837 -17.356 1.00 0.00 H new ATOM 1778 N VAL A 116 2.350 9.838 -19.470 1.00 0.00 N ATOM 1779 CA VAL A 116 2.254 10.615 -20.700 1.00 0.00 C ATOM 1780 C VAL A 116 3.628 10.817 -21.331 1.00 0.00 C ATOM 1781 O VAL A 116 4.634 10.921 -20.629 1.00 0.00 O ATOM 1782 CB VAL A 116 1.610 11.991 -20.446 1.00 0.00 C ATOM 1783 CG1 VAL A 116 2.482 12.825 -19.520 1.00 0.00 C ATOM 1784 CG2 VAL A 116 1.368 12.716 -21.761 1.00 0.00 C ATOM 0 H VAL A 116 1.911 10.275 -18.660 1.00 0.00 H new ATOM 0 HA VAL A 116 1.623 10.048 -21.384 1.00 0.00 H new ATOM 0 HB VAL A 116 0.647 11.839 -19.959 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.011 13.794 -19.352 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.599 12.308 -18.567 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.461 12.972 -19.976 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.913 13.686 -21.563 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.317 12.859 -22.278 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.701 12.123 -22.386 1.00 0.00 H new ATOM 1794 N ILE A 117 3.661 10.872 -22.658 1.00 0.00 N ATOM 1795 CA ILE A 117 4.910 11.064 -23.383 1.00 0.00 C ATOM 1796 C ILE A 117 5.713 12.221 -22.799 1.00 0.00 C ATOM 1797 O ILE A 117 5.162 13.223 -22.342 1.00 0.00 O ATOM 1798 CB ILE A 117 4.658 11.332 -24.879 1.00 0.00 C ATOM 1799 CG1 ILE A 117 3.816 12.597 -25.057 1.00 0.00 C ATOM 1800 CG2 ILE A 117 3.971 10.137 -25.522 1.00 0.00 C ATOM 1801 CD1 ILE A 117 4.039 13.288 -26.384 1.00 0.00 C ATOM 0 H ILE A 117 2.837 10.786 -23.253 1.00 0.00 H new ATOM 0 HA ILE A 117 5.480 10.141 -23.279 1.00 0.00 H new ATOM 0 HB ILE A 117 5.617 11.484 -25.373 1.00 0.00 H new ATOM 0 HG12 ILE A 117 2.761 12.338 -24.964 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.046 13.293 -24.251 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.799 10.341 -26.579 1.00 0.00 H new ATOM 0 HG22 ILE A 117 4.604 9.255 -25.421 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.016 9.957 -25.028 1.00 0.00 H new ATOM 0 HD11 ILE A 117 3.410 14.176 -26.442 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.086 13.578 -26.472 1.00 0.00 H new ATOM 0 HD13 ILE A 117 3.782 12.608 -27.196 1.00 0.00 H new ATOM 1813 N PRO A 118 7.047 12.083 -22.814 1.00 0.00 N ATOM 1814 CA PRO A 118 7.955 13.109 -22.292 1.00 0.00 C ATOM 1815 C PRO A 118 7.977 14.361 -23.161 1.00 0.00 C ATOM 1816 O PRO A 118 8.576 14.371 -24.236 1.00 0.00 O ATOM 1817 CB PRO A 118 9.321 12.418 -22.314 1.00 0.00 C ATOM 1818 CG PRO A 118 9.202 11.379 -23.375 1.00 0.00 C ATOM 1819 CD PRO A 118 7.772 10.915 -23.343 1.00 0.00 C ATOM 0 HA PRO A 118 7.653 13.455 -21.304 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.119 13.125 -22.540 1.00 0.00 H new ATOM 0 HB3 PRO A 118 9.555 11.972 -21.347 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.457 11.788 -24.352 1.00 0.00 H new ATOM 0 HG3 PRO A 118 9.885 10.551 -23.188 1.00 0.00 H new ATOM 0 HD2 PRO A 118 7.417 10.637 -24.336 1.00 0.00 H new ATOM 0 HD3 PRO A 118 7.647 10.041 -22.704 1.00 0.00 H new ATOM 1827 N SER A 119 7.320 15.415 -22.689 1.00 0.00 N ATOM 1828 CA SER A 119 7.261 16.673 -23.425 1.00 0.00 C ATOM 1829 C SER A 119 8.072 17.755 -22.719 1.00 0.00 C ATOM 1830 O SER A 119 7.592 18.396 -21.785 1.00 0.00 O ATOM 1831 CB SER A 119 5.809 17.128 -23.583 1.00 0.00 C ATOM 1832 OG SER A 119 5.218 16.559 -24.738 1.00 0.00 O ATOM 0 H SER A 119 6.821 15.423 -21.800 1.00 0.00 H new ATOM 0 HA SER A 119 7.692 16.508 -24.413 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.237 16.842 -22.700 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.771 18.215 -23.649 1.00 0.00 H new ATOM 0 HG SER A 119 4.290 16.864 -24.815 1.00 0.00 H new ATOM 1838 N GLY A 120 9.306 17.952 -23.172 1.00 0.00 N ATOM 1839 CA GLY A 120 10.165 18.956 -22.573 1.00 0.00 C ATOM 1840 C GLY A 120 9.691 20.368 -22.856 1.00 0.00 C ATOM 1841 O GLY A 120 9.040 20.992 -22.018 1.00 0.00 O ATOM 0 H GLY A 120 9.726 17.434 -23.944 1.00 0.00 H new ATOM 0 HA2 GLY A 120 10.206 18.799 -21.495 1.00 0.00 H new ATOM 0 HA3 GLY A 120 11.180 18.834 -22.951 1.00 0.00 H new ATOM 1845 N PHE A 121 10.020 20.874 -24.040 1.00 0.00 N ATOM 1846 CA PHE A 121 9.626 22.223 -24.431 1.00 0.00 C ATOM 1847 C PHE A 121 9.815 22.432 -25.931 1.00 0.00 C ATOM 1848 O PHE A 121 10.926 22.319 -26.449 1.00 0.00 O ATOM 1849 CB PHE A 121 10.439 23.260 -23.654 1.00 0.00 C ATOM 1850 CG PHE A 121 11.884 22.887 -23.487 1.00 0.00 C ATOM 1851 CD1 PHE A 121 12.285 22.060 -22.450 1.00 0.00 C ATOM 1852 CD2 PHE A 121 12.842 23.362 -24.369 1.00 0.00 C ATOM 1853 CE1 PHE A 121 13.614 21.715 -22.295 1.00 0.00 C ATOM 1854 CE2 PHE A 121 14.173 23.020 -24.218 1.00 0.00 C ATOM 1855 CZ PHE A 121 14.559 22.195 -23.180 1.00 0.00 C ATOM 0 H PHE A 121 10.558 20.371 -24.745 1.00 0.00 H new ATOM 0 HA PHE A 121 8.569 22.349 -24.195 1.00 0.00 H new ATOM 0 HB2 PHE A 121 10.377 24.219 -24.169 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.991 23.397 -22.670 1.00 0.00 H new ATOM 0 HD1 PHE A 121 11.550 21.681 -21.755 1.00 0.00 H new ATOM 0 HD2 PHE A 121 12.545 24.006 -25.183 1.00 0.00 H new ATOM 0 HE1 PHE A 121 13.913 21.070 -21.482 1.00 0.00 H new ATOM 0 HE2 PHE A 121 14.910 23.398 -24.911 1.00 0.00 H new ATOM 0 HZ PHE A 121 15.598 21.926 -23.061 1.00 0.00 H new ATOM 1865 N SER A 122 8.721 22.736 -26.622 1.00 0.00 N ATOM 1866 CA SER A 122 8.764 22.957 -28.063 1.00 0.00 C ATOM 1867 C SER A 122 8.393 24.397 -28.404 1.00 0.00 C ATOM 1868 O SER A 122 7.912 25.143 -27.553 1.00 0.00 O ATOM 1869 CB SER A 122 7.817 21.991 -28.776 1.00 0.00 C ATOM 1870 OG SER A 122 8.285 20.656 -28.686 1.00 0.00 O ATOM 0 H SER A 122 7.794 22.835 -26.208 1.00 0.00 H new ATOM 0 HA SER A 122 9.783 22.773 -28.404 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.822 22.061 -28.336 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.723 22.277 -29.824 1.00 0.00 H new ATOM 0 HG SER A 122 7.661 20.059 -29.148 1.00 0.00 H new ATOM 1876 N GLY A 123 8.620 24.779 -29.657 1.00 0.00 N ATOM 1877 CA GLY A 123 8.304 26.128 -30.089 1.00 0.00 C ATOM 1878 C GLY A 123 9.453 26.784 -30.829 1.00 0.00 C ATOM 1879 O GLY A 123 10.230 27.550 -30.259 1.00 0.00 O ATOM 0 H GLY A 123 9.017 24.179 -30.380 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.427 26.103 -30.735 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.043 26.733 -29.220 1.00 0.00 H new ATOM 1883 N PRO A 124 9.574 26.481 -32.130 1.00 0.00 N ATOM 1884 CA PRO A 124 10.634 27.035 -32.977 1.00 0.00 C ATOM 1885 C PRO A 124 10.447 28.525 -33.240 1.00 0.00 C ATOM 1886 O PRO A 124 9.348 28.974 -33.567 1.00 0.00 O ATOM 1887 CB PRO A 124 10.501 26.241 -34.278 1.00 0.00 C ATOM 1888 CG PRO A 124 9.078 25.800 -34.309 1.00 0.00 C ATOM 1889 CD PRO A 124 8.684 25.575 -32.875 1.00 0.00 C ATOM 0 HA PRO A 124 11.615 26.951 -32.509 1.00 0.00 H new ATOM 0 HB2 PRO A 124 10.744 26.857 -35.144 1.00 0.00 H new ATOM 0 HB3 PRO A 124 11.180 25.389 -34.293 1.00 0.00 H new ATOM 0 HG2 PRO A 124 8.445 26.556 -34.774 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.965 24.887 -34.893 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.634 25.813 -32.705 1.00 0.00 H new ATOM 0 HD3 PRO A 124 8.827 24.536 -32.577 1.00 0.00 H new ATOM 1897 N SER A 125 11.526 29.288 -33.096 1.00 0.00 N ATOM 1898 CA SER A 125 11.479 30.729 -33.316 1.00 0.00 C ATOM 1899 C SER A 125 12.829 31.249 -33.798 1.00 0.00 C ATOM 1900 O SER A 125 13.849 30.572 -33.671 1.00 0.00 O ATOM 1901 CB SER A 125 11.072 31.449 -32.029 1.00 0.00 C ATOM 1902 OG SER A 125 9.665 31.593 -31.948 1.00 0.00 O ATOM 0 H SER A 125 12.444 28.932 -32.828 1.00 0.00 H new ATOM 0 HA SER A 125 10.736 30.930 -34.087 1.00 0.00 H new ATOM 0 HB2 SER A 125 11.434 30.890 -31.166 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.544 32.431 -31.993 1.00 0.00 H new ATOM 0 HG SER A 125 9.232 30.838 -32.399 1.00 0.00 H new ATOM 1908 N SER A 126 12.827 32.457 -34.353 1.00 0.00 N ATOM 1909 CA SER A 126 14.050 33.068 -34.859 1.00 0.00 C ATOM 1910 C SER A 126 14.897 33.617 -33.715 1.00 0.00 C ATOM 1911 O SER A 126 14.663 34.723 -33.230 1.00 0.00 O ATOM 1912 CB SER A 126 13.716 34.190 -35.844 1.00 0.00 C ATOM 1913 OG SER A 126 14.882 34.900 -36.224 1.00 0.00 O ATOM 0 H SER A 126 11.992 33.032 -34.463 1.00 0.00 H new ATOM 0 HA SER A 126 14.623 32.299 -35.376 1.00 0.00 H new ATOM 0 HB2 SER A 126 13.237 33.771 -36.729 1.00 0.00 H new ATOM 0 HB3 SER A 126 13.001 34.876 -35.390 1.00 0.00 H new ATOM 0 HG SER A 126 14.641 35.610 -36.855 1.00 0.00 H new ATOM 1919 N GLY A 127 15.883 32.834 -33.288 1.00 0.00 N ATOM 1920 CA GLY A 127 16.750 33.257 -32.203 1.00 0.00 C ATOM 1921 C GLY A 127 17.671 32.149 -31.731 1.00 0.00 C ATOM 1922 O GLY A 127 18.448 32.336 -30.795 1.00 0.00 O ATOM 0 H GLY A 127 16.097 31.914 -33.674 1.00 0.00 H new ATOM 0 HA2 GLY A 127 17.348 34.108 -32.530 1.00 0.00 H new ATOM 0 HA3 GLY A 127 16.140 33.599 -31.367 1.00 0.00 H new TER 1926 GLY A 127