USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1346 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 22 CYS SG : rot -100:sc= 0.561 USER MOD Set 1.2: A 26 CYS SG : rot 49:sc= -0.507 USER MOD Set 2.1: A 8 SER OG : rot -123:sc= 0.0808 USER MOD Set 2.2: A 10 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= 0.457 (180deg=-0.239!) USER MOD Single : A 14 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.5!) USER MOD Single : A 16 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.7!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.495! USER MOD Single : A 31 SER OG : rot 68:sc= 1.27 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.031 USER MOD Single : A 36 CYS SG : rot 42:sc= -2.06 USER MOD Single : A 37 ASN : amide:sc= -4.83! C(o=-4.8!,f=-14!) USER MOD Single : A 38 SER OG : rot -161:sc= -0.397 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -99:sc= 0.59 USER MOD Single : A 53 ASN : amide:sc= -1.38! C(o=-1.4!,f=-4!) USER MOD Single : A 55 SER OG : rot 51:sc= 0.326 USER MOD Single : A 57 HIS : no HD1:sc= 0.274 K(o=0.27,f=-4.6!) USER MOD Single : A 58 MET CE :methyl 157:sc= -0.251 (180deg=-1.27) USER MOD Single : A 59 TYR OH : rot 15:sc= -1.95 USER MOD Single : A 63 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.79) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0303 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.09! C(o=-2.1!,f=-3.1!) USER MOD Single : A 81 SER OG : rot -110:sc= -0.0676 USER MOD Single : A 82 CYS SG : rot -173:sc= -1.04! USER MOD Single : A 86 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.35) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.18) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN :FLIP amide:sc= -1.19 F(o=-2.1,f=-1.2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN :FLIP amide:sc= -0.82 F(o=-2.9!,f=-0.82) USER MOD Single : A 106 GLN : amide:sc= -0.185 K(o=-0.19,f=-2.2!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0918 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 107:sc= -1.28! USER MOD Single : A 116 SER OG : rot 160:sc= 0.204 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.18) USER MOD Single : A 122 HIS : no HD1:sc= -0.688 X(o=-0.69,f=-0.31) USER MOD Single : A 127 HIS : no HD1:sc= -0.459 K(o=-0.46,f=-1.4) USER MOD Single : A 128 SER OG : rot -122:sc= -0.185 USER MOD Single : A 129 CYS SG : rot -51:sc= 0.0866 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 6:sc= -0.863! USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.695 K(o=-0.7,f=-2.8!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN :FLIP amide:sc= -0.708 F(o=-1.6!,f=-0.71) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.058 USER MOD Single : A 153 LYS NZ :NH3+ -161:sc= -0.0908 (180deg=-0.829) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.381 USER MOD Single : A 158 LYS NZ :NH3+ 134:sc= -0.0757 (180deg=-0.569) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.0959 K(o=-0.096,f=-0.73) USER MOD Single : A 171 SER OG : rot -119:sc= -1.03 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 -9.035 -8.960 -11.973 1.00 0.01 N ATOM 58 CA GLY A 5 -8.986 -8.456 -10.571 1.00 0.01 C ATOM 59 C GLY A 5 -10.292 -7.729 -10.248 1.00 0.01 C ATOM 60 O GLY A 5 -11.000 -7.285 -11.131 1.00 0.01 O ATOM 0 HA2 GLY A 5 -8.838 -9.285 -9.879 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.140 -7.781 -10.445 1.00 0.01 H new ATOM 64 N LYS A 6 -10.626 -7.609 -8.991 1.00 0.00 N ATOM 65 CA LYS A 6 -11.899 -6.914 -8.618 1.00 0.01 C ATOM 66 C LYS A 6 -11.746 -6.181 -7.286 1.00 0.01 C ATOM 67 O LYS A 6 -11.208 -6.704 -6.329 1.00 0.00 O ATOM 68 CB LYS A 6 -13.039 -7.929 -8.506 1.00 0.02 C ATOM 69 CG LYS A 6 -14.379 -7.190 -8.403 1.00 0.02 C ATOM 70 CD LYS A 6 -15.518 -8.189 -8.140 1.00 0.02 C ATOM 71 CE LYS A 6 -15.958 -8.853 -9.449 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.359 -7.806 -10.431 1.00 0.02 N ATOM 0 H LYS A 6 -10.077 -7.960 -8.206 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.129 -6.188 -9.398 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.041 -8.586 -9.376 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.892 -8.560 -7.630 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.337 -6.456 -7.599 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.572 -6.642 -9.325 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -15.187 -8.949 -7.432 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -16.364 -7.675 -7.683 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.144 -9.454 -9.855 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -16.792 -9.530 -9.263 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.932 -8.238 -11.184 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -16.917 -7.073 -9.948 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -15.508 -7.376 -10.847 1.00 0.02 H new ATOM 86 N ILE A 7 -12.242 -4.967 -7.228 1.00 0.02 N ATOM 87 CA ILE A 7 -12.170 -4.157 -5.974 1.00 0.00 C ATOM 88 C ILE A 7 -13.562 -3.585 -5.670 1.00 0.02 C ATOM 89 O ILE A 7 -14.274 -3.161 -6.560 1.00 0.01 O ATOM 90 CB ILE A 7 -11.134 -3.044 -6.143 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.202 -2.091 -4.950 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.407 -2.269 -7.430 1.00 0.01 C ATOM 93 CD1 ILE A 7 -9.976 -1.172 -4.961 1.00 0.02 C ATOM 0 H ILE A 7 -12.700 -4.498 -8.010 1.00 0.02 H new ATOM 0 HA ILE A 7 -11.860 -4.780 -5.135 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.141 -3.489 -6.196 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.115 -1.498 -4.996 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.237 -2.658 -4.020 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.665 -1.478 -7.543 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.348 -2.946 -8.282 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.403 -1.828 -7.385 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.023 -0.492 -4.111 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.070 -1.774 -4.894 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -9.962 -0.596 -5.886 1.00 0.02 H new ATOM 105 N SER A 8 -13.951 -3.569 -4.415 1.00 0.02 N ATOM 106 CA SER A 8 -15.298 -3.024 -4.030 1.00 0.02 C ATOM 107 C SER A 8 -15.133 -1.882 -3.025 1.00 0.01 C ATOM 108 O SER A 8 -14.450 -2.014 -2.033 1.00 0.02 O ATOM 109 CB SER A 8 -16.151 -4.127 -3.400 1.00 0.30 C ATOM 110 OG SER A 8 -17.517 -3.736 -3.428 1.00 0.39 O ATOM 0 H SER A 8 -13.390 -3.912 -3.635 1.00 0.02 H new ATOM 0 HA SER A 8 -15.791 -2.651 -4.928 1.00 0.02 H new ATOM 0 HB2 SER A 8 -16.017 -5.062 -3.944 1.00 0.30 H new ATOM 0 HB3 SER A 8 -15.833 -4.307 -2.373 1.00 0.30 H new ATOM 0 HG SER A 8 -17.877 -3.740 -2.517 1.00 0.39 H new ATOM 116 N PHE A 9 -15.778 -0.766 -3.276 1.00 0.02 N ATOM 117 CA PHE A 9 -15.700 0.405 -2.342 1.00 0.01 C ATOM 118 C PHE A 9 -17.066 0.598 -1.662 1.00 0.01 C ATOM 119 O PHE A 9 -18.094 0.436 -2.286 1.00 0.02 O ATOM 120 CB PHE A 9 -15.357 1.671 -3.137 1.00 0.02 C ATOM 121 CG PHE A 9 -14.231 1.404 -4.107 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.488 0.740 -5.312 1.00 0.01 C ATOM 123 CD2 PHE A 9 -12.933 1.837 -3.810 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.447 0.508 -6.219 1.00 0.02 C ATOM 125 CE2 PHE A 9 -11.893 1.607 -4.717 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.149 0.942 -5.922 1.00 0.02 C ATOM 0 H PHE A 9 -16.362 -0.615 -4.098 1.00 0.02 H new ATOM 0 HA PHE A 9 -14.931 0.222 -1.592 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.237 2.015 -3.680 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.072 2.470 -2.453 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.489 0.407 -5.542 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.735 2.349 -2.880 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -13.645 -0.006 -7.148 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -10.892 1.943 -4.488 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.346 0.764 -6.622 1.00 0.02 H new ATOM 136 N TYR A 10 -17.086 0.936 -0.390 1.00 0.02 N ATOM 137 CA TYR A 10 -18.393 1.133 0.332 1.00 0.01 C ATOM 138 C TYR A 10 -18.448 2.543 0.928 1.00 0.02 C ATOM 139 O TYR A 10 -17.466 3.055 1.426 1.00 0.01 O ATOM 140 CB TYR A 10 -18.506 0.106 1.465 1.00 0.02 C ATOM 141 CG TYR A 10 -18.157 -1.269 0.943 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.823 -1.597 0.671 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.166 -2.221 0.733 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.496 -2.872 0.191 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.839 -3.495 0.253 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.504 -3.820 -0.017 1.00 0.00 C ATOM 147 OH TYR A 10 -17.180 -5.077 -0.490 1.00 0.02 O ATOM 0 H TYR A 10 -16.254 1.084 0.181 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.215 1.003 -0.371 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -17.837 0.376 2.282 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.518 0.106 1.869 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.045 -0.866 0.832 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.196 -1.971 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.467 -3.123 -0.018 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.616 -4.227 0.091 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.995 -5.614 -0.578 1.00 0.02 H new ATOM 157 N GLU A 11 -19.584 3.194 0.850 1.00 0.00 N ATOM 158 CA GLU A 11 -19.680 4.587 1.376 1.00 0.02 C ATOM 159 C GLU A 11 -19.578 4.621 2.903 1.00 0.03 C ATOM 160 O GLU A 11 -19.143 5.610 3.461 1.00 0.03 O ATOM 161 CB GLU A 11 -21.025 5.198 0.960 1.00 0.00 C ATOM 162 CG GLU A 11 -20.987 5.571 -0.521 1.00 0.00 C ATOM 163 CD GLU A 11 -22.316 6.216 -0.919 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.323 5.869 -0.322 1.00 0.02 O ATOM 165 OE2 GLU A 11 -22.305 7.045 -1.813 1.00 0.01 O ATOM 0 H GLU A 11 -20.443 2.821 0.446 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.850 5.158 0.960 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.831 4.487 1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.235 6.082 1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.164 6.260 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.806 4.683 -1.126 1.00 0.00 H new ATOM 172 N ASP A 12 -19.969 3.574 3.594 1.00 0.02 N ATOM 173 CA ASP A 12 -19.884 3.585 5.093 1.00 0.01 C ATOM 174 C ASP A 12 -18.872 2.544 5.575 1.00 0.02 C ATOM 175 O ASP A 12 -18.389 1.720 4.823 1.00 0.02 O ATOM 176 CB ASP A 12 -21.254 3.254 5.691 1.00 0.01 C ATOM 177 CG ASP A 12 -21.243 3.556 7.190 1.00 0.01 C ATOM 178 OD1 ASP A 12 -20.606 4.522 7.574 1.00 0.02 O ATOM 179 OD2 ASP A 12 -21.872 2.816 7.929 1.00 0.03 O ATOM 0 H ASP A 12 -20.342 2.716 3.188 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.566 4.577 5.414 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -22.029 3.840 5.197 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.492 2.204 5.523 1.00 0.01 H new ATOM 184 N ARG A 13 -18.551 2.598 6.836 1.00 0.02 N ATOM 185 CA ARG A 13 -17.569 1.643 7.424 1.00 0.02 C ATOM 186 C ARG A 13 -18.214 0.266 7.606 1.00 0.00 C ATOM 187 O ARG A 13 -19.419 0.132 7.687 1.00 0.02 O ATOM 188 CB ARG A 13 -17.132 2.184 8.785 1.00 0.00 C ATOM 189 CG ARG A 13 -16.204 3.383 8.584 1.00 0.01 C ATOM 190 CD ARG A 13 -15.837 3.976 9.945 1.00 0.02 C ATOM 191 NE ARG A 13 -17.080 4.355 10.672 1.00 0.03 N ATOM 192 CZ ARG A 13 -17.037 4.600 11.954 1.00 0.02 C ATOM 193 NH1 ARG A 13 -15.905 4.512 12.599 1.00 0.02 N ATOM 194 NH2 ARG A 13 -18.127 4.932 12.591 1.00 0.02 N ATOM 0 H ARG A 13 -18.934 3.275 7.496 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.711 1.540 6.760 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -18.004 2.480 9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.620 1.405 9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.303 3.074 8.055 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.694 4.136 7.967 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -15.268 3.252 10.528 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.199 4.850 9.813 1.00 0.02 H new ATOM 0 HE ARG A 13 -17.965 4.423 10.169 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -15.053 4.252 12.101 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -15.872 4.704 13.600 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -19.011 5.000 12.087 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -18.094 5.123 13.592 1.00 0.02 H new ATOM 208 N ASN A 14 -17.400 -0.754 7.686 1.00 0.02 N ATOM 209 CA ASN A 14 -17.914 -2.142 7.883 1.00 0.02 C ATOM 210 C ASN A 14 -18.714 -2.613 6.664 1.00 0.02 C ATOM 211 O ASN A 14 -19.646 -3.386 6.767 1.00 0.02 O ATOM 212 CB ASN A 14 -18.778 -2.178 9.149 1.00 0.26 C ATOM 213 CG ASN A 14 -18.165 -1.263 10.211 1.00 0.12 C ATOM 214 OD1 ASN A 14 -16.980 -0.988 10.182 1.00 0.74 O ATOM 215 ND2 ASN A 14 -18.925 -0.777 11.155 1.00 0.46 N ATOM 0 H ASN A 14 -16.385 -0.682 7.622 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.071 -2.823 7.999 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -19.793 -1.856 8.918 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -18.845 -3.198 9.527 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -18.525 -0.167 11.868 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -19.918 -1.007 11.179 1.00 0.46 H new ATOM 222 N PHE A 15 -18.311 -2.167 5.504 1.00 0.02 N ATOM 223 CA PHE A 15 -18.980 -2.587 4.236 1.00 0.02 C ATOM 224 C PHE A 15 -20.485 -2.301 4.283 1.00 0.00 C ATOM 225 O PHE A 15 -21.290 -3.094 3.838 1.00 0.02 O ATOM 226 CB PHE A 15 -18.749 -4.096 4.018 1.00 0.02 C ATOM 227 CG PHE A 15 -17.411 -4.495 4.600 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.230 -4.201 3.910 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.356 -5.162 5.831 1.00 0.02 C ATOM 230 CE1 PHE A 15 -14.994 -4.573 4.452 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.121 -5.534 6.372 1.00 0.02 C ATOM 232 CZ PHE A 15 -14.940 -5.240 5.683 1.00 0.02 C ATOM 0 H PHE A 15 -17.534 -1.519 5.379 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.551 -2.017 3.412 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.547 -4.668 4.491 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -18.777 -4.328 2.953 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.272 -3.688 2.961 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.268 -5.389 6.363 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.081 -4.346 3.921 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.079 -6.048 7.321 1.00 0.02 H new ATOM 0 HZ PHE A 15 -13.986 -5.527 6.100 1.00 0.02 H new ATOM 242 N GLN A 16 -20.859 -1.162 4.801 1.00 0.02 N ATOM 243 CA GLN A 16 -22.305 -0.782 4.870 1.00 0.02 C ATOM 244 C GLN A 16 -22.531 0.413 3.938 1.00 0.02 C ATOM 245 O GLN A 16 -21.591 1.047 3.496 1.00 0.02 O ATOM 246 CB GLN A 16 -22.656 -0.378 6.307 1.00 0.02 C ATOM 247 CG GLN A 16 -22.825 -1.635 7.164 1.00 0.00 C ATOM 248 CD GLN A 16 -22.984 -1.232 8.632 1.00 0.00 C ATOM 249 OE1 GLN A 16 -22.012 -0.950 9.303 1.00 0.02 O ATOM 250 NE2 GLN A 16 -24.176 -1.191 9.162 1.00 0.02 N ATOM 0 H GLN A 16 -20.218 -0.468 5.185 1.00 0.02 H new ATOM 0 HA GLN A 16 -22.932 -1.621 4.569 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -21.870 0.254 6.721 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.575 0.208 6.317 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -23.697 -2.199 6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.960 -2.288 7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -24.993 -1.428 8.599 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -24.291 -0.922 10.139 1.00 0.02 H new ATOM 259 N GLY A 17 -23.760 0.731 3.631 1.00 0.03 N ATOM 260 CA GLY A 17 -24.024 1.893 2.731 1.00 0.03 C ATOM 261 C GLY A 17 -24.008 1.455 1.263 1.00 0.02 C ATOM 262 O GLY A 17 -24.019 0.281 0.950 1.00 0.02 O ATOM 0 H GLY A 17 -24.590 0.239 3.962 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -24.990 2.335 2.973 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.271 2.664 2.894 1.00 0.03 H new ATOM 266 N ARG A 18 -23.969 2.399 0.363 1.00 0.00 N ATOM 267 CA ARG A 18 -23.937 2.065 -1.091 1.00 0.02 C ATOM 268 C ARG A 18 -22.586 1.436 -1.431 1.00 0.02 C ATOM 269 O ARG A 18 -21.560 1.821 -0.904 1.00 0.02 O ATOM 270 CB ARG A 18 -24.124 3.352 -1.903 1.00 0.79 C ATOM 271 CG ARG A 18 -24.386 3.014 -3.385 1.00 1.49 C ATOM 272 CD ARG A 18 -25.884 2.781 -3.621 1.00 1.42 C ATOM 273 NE ARG A 18 -26.576 4.095 -3.751 1.00 2.07 N ATOM 274 CZ ARG A 18 -27.778 4.153 -4.252 1.00 2.35 C ATOM 275 NH1 ARG A 18 -28.377 3.060 -4.636 1.00 2.53 N ATOM 276 NH2 ARG A 18 -28.381 5.305 -4.370 1.00 2.76 N ATOM 0 H ARG A 18 -23.958 3.397 0.574 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.735 1.362 -1.331 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -24.958 3.926 -1.501 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.235 3.977 -1.817 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -24.033 3.828 -4.019 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -23.824 2.124 -3.667 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -26.033 2.188 -4.524 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -26.310 2.214 -2.793 1.00 1.42 H new ATOM 0 HE ARG A 18 -26.109 4.949 -3.448 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -27.905 2.160 -4.544 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -29.318 3.105 -5.028 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -27.912 6.159 -4.070 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -29.322 5.351 -4.762 1.00 2.76 H new ATOM 290 N ARG A 19 -22.586 0.451 -2.300 1.00 0.02 N ATOM 291 CA ARG A 19 -21.314 -0.243 -2.677 1.00 0.02 C ATOM 292 C ARG A 19 -21.071 -0.120 -4.184 1.00 0.02 C ATOM 293 O ARG A 19 -21.992 -0.067 -4.975 1.00 0.02 O ATOM 294 CB ARG A 19 -21.437 -1.729 -2.307 1.00 0.85 C ATOM 295 CG ARG A 19 -20.220 -2.531 -2.840 1.00 1.31 C ATOM 296 CD ARG A 19 -20.574 -3.248 -4.156 1.00 1.34 C ATOM 297 NE ARG A 19 -21.226 -4.553 -3.849 1.00 1.50 N ATOM 298 CZ ARG A 19 -21.871 -5.195 -4.784 1.00 1.63 C ATOM 299 NH1 ARG A 19 -21.947 -4.694 -5.986 1.00 1.72 N ATOM 300 NH2 ARG A 19 -22.443 -6.336 -4.515 1.00 1.89 N ATOM 0 H ARG A 19 -23.421 0.096 -2.767 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.480 0.215 -2.145 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -21.502 -1.835 -1.224 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.358 -2.137 -2.723 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.378 -1.858 -3.002 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.906 -3.262 -2.095 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -21.242 -2.627 -4.753 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -19.674 -3.409 -4.749 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.168 -4.944 -2.909 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -21.502 -3.800 -6.195 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -22.451 -5.196 -6.717 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -22.386 -6.726 -3.574 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -22.947 -6.838 -5.245 1.00 1.89 H new ATOM 314 N TYR A 20 -19.824 -0.095 -4.578 1.00 0.02 N ATOM 315 CA TYR A 20 -19.467 0.002 -6.028 1.00 0.02 C ATOM 316 C TYR A 20 -18.400 -1.051 -6.333 1.00 0.02 C ATOM 317 O TYR A 20 -17.395 -1.133 -5.660 1.00 0.02 O ATOM 318 CB TYR A 20 -18.919 1.399 -6.335 1.00 0.02 C ATOM 319 CG TYR A 20 -18.399 1.441 -7.756 1.00 0.01 C ATOM 320 CD1 TYR A 20 -19.276 1.229 -8.827 1.00 0.02 C ATOM 321 CD2 TYR A 20 -17.042 1.694 -8.004 1.00 0.01 C ATOM 322 CE1 TYR A 20 -18.799 1.269 -10.142 1.00 0.02 C ATOM 323 CE2 TYR A 20 -16.566 1.734 -9.320 1.00 0.02 C ATOM 324 CZ TYR A 20 -17.444 1.522 -10.389 1.00 0.02 C ATOM 325 OH TYR A 20 -16.977 1.561 -11.687 1.00 0.01 O ATOM 0 H TYR A 20 -19.024 -0.138 -3.947 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.350 -0.170 -6.643 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.702 2.145 -6.202 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.120 1.648 -5.637 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -20.321 1.034 -8.638 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -16.364 1.858 -7.180 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -19.476 1.105 -10.967 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -15.521 1.929 -9.510 1.00 0.02 H new ATOM 0 HH TYR A 20 -16.015 1.749 -11.683 1.00 0.01 H new ATOM 335 N ASP A 21 -18.625 -1.869 -7.334 1.00 0.01 N ATOM 336 CA ASP A 21 -17.643 -2.946 -7.692 1.00 0.02 C ATOM 337 C ASP A 21 -17.012 -2.641 -9.052 1.00 0.00 C ATOM 338 O ASP A 21 -17.681 -2.238 -9.984 1.00 0.01 O ATOM 339 CB ASP A 21 -18.390 -4.279 -7.768 1.00 0.12 C ATOM 340 CG ASP A 21 -17.448 -5.368 -8.285 1.00 0.41 C ATOM 341 OD1 ASP A 21 -16.250 -5.217 -8.114 1.00 1.12 O ATOM 342 OD2 ASP A 21 -17.941 -6.334 -8.842 1.00 0.56 O ATOM 0 H ASP A 21 -19.456 -1.837 -7.925 1.00 0.01 H new ATOM 0 HA ASP A 21 -16.857 -2.995 -6.938 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -18.770 -4.551 -6.783 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -19.252 -4.187 -8.428 1.00 0.12 H new ATOM 347 N CYS A 22 -15.716 -2.829 -9.164 1.00 0.01 N ATOM 348 CA CYS A 22 -15.009 -2.550 -10.456 1.00 0.00 C ATOM 349 C CYS A 22 -14.108 -3.735 -10.820 1.00 0.02 C ATOM 350 O CYS A 22 -13.454 -4.320 -9.976 1.00 0.01 O ATOM 351 CB CYS A 22 -14.168 -1.281 -10.301 1.00 0.00 C ATOM 352 SG CYS A 22 -13.627 -0.714 -11.933 1.00 0.02 S ATOM 0 H CYS A 22 -15.115 -3.166 -8.411 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.740 -2.407 -11.252 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.751 -0.503 -9.809 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.303 -1.480 -9.668 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.400 -1.090 -12.138 1.00 0.02 H new ATOM 358 N ASP A 23 -14.081 -4.095 -12.082 1.00 0.01 N ATOM 359 CA ASP A 23 -13.241 -5.248 -12.545 1.00 0.02 C ATOM 360 C ASP A 23 -12.173 -4.748 -13.524 1.00 0.00 C ATOM 361 O ASP A 23 -11.504 -5.525 -14.175 1.00 0.02 O ATOM 362 CB ASP A 23 -14.134 -6.273 -13.247 1.00 0.16 C ATOM 363 CG ASP A 23 -13.276 -7.434 -13.755 1.00 0.17 C ATOM 364 OD1 ASP A 23 -12.268 -7.719 -13.130 1.00 0.17 O ATOM 365 OD2 ASP A 23 -13.645 -8.020 -14.759 1.00 0.20 O ATOM 0 H ASP A 23 -14.612 -3.633 -12.820 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.755 -5.711 -11.686 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -14.893 -6.642 -12.558 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -14.660 -5.804 -14.079 1.00 0.16 H new ATOM 370 N CYS A 24 -12.003 -3.459 -13.625 1.00 0.01 N ATOM 371 CA CYS A 24 -10.972 -2.907 -14.549 1.00 0.01 C ATOM 372 C CYS A 24 -10.615 -1.495 -14.084 1.00 0.01 C ATOM 373 O CYS A 24 -11.219 -0.974 -13.166 1.00 0.01 O ATOM 374 CB CYS A 24 -11.531 -2.857 -15.973 1.00 0.62 C ATOM 375 SG CYS A 24 -10.280 -2.173 -17.088 1.00 1.23 S ATOM 0 H CYS A 24 -12.536 -2.761 -13.106 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.084 -3.539 -14.542 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -11.816 -3.857 -16.299 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -12.432 -2.244 -16.000 1.00 0.62 H new ATOM 0 HG CYS A 24 -10.753 -2.132 -18.298 1.00 1.23 H new ATOM 381 N ASP A 25 -9.646 -0.862 -14.687 1.00 0.02 N ATOM 382 CA ASP A 25 -9.279 0.513 -14.246 1.00 0.01 C ATOM 383 C ASP A 25 -10.473 1.451 -14.422 1.00 0.02 C ATOM 384 O ASP A 25 -11.226 1.340 -15.369 1.00 0.00 O ATOM 385 CB ASP A 25 -8.119 1.022 -15.105 1.00 0.01 C ATOM 386 CG ASP A 25 -8.525 0.991 -16.580 1.00 0.01 C ATOM 387 OD1 ASP A 25 -9.206 1.908 -17.005 1.00 0.01 O ATOM 388 OD2 ASP A 25 -8.150 0.050 -17.257 1.00 0.01 O ATOM 0 H ASP A 25 -9.096 -1.235 -15.461 1.00 0.02 H new ATOM 0 HA ASP A 25 -8.988 0.488 -13.196 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -7.853 2.037 -14.811 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.236 0.403 -14.947 1.00 0.01 H new ATOM 393 N CYS A 26 -10.639 2.389 -13.522 1.00 0.01 N ATOM 394 CA CYS A 26 -11.770 3.367 -13.629 1.00 0.01 C ATOM 395 C CYS A 26 -11.213 4.777 -13.426 1.00 0.01 C ATOM 396 O CYS A 26 -10.660 5.095 -12.393 1.00 0.01 O ATOM 397 CB CYS A 26 -12.826 3.065 -12.563 1.00 0.01 C ATOM 398 SG CYS A 26 -12.021 2.849 -10.956 1.00 0.02 S ATOM 0 H CYS A 26 -10.035 2.521 -12.711 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.237 3.288 -14.611 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.549 3.879 -12.512 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -13.378 2.164 -12.829 1.00 0.01 H new ATOM 0 HG CYS A 26 -11.208 3.840 -10.741 1.00 0.02 H new ATOM 404 N ALA A 27 -11.317 5.618 -14.422 1.00 0.01 N ATOM 405 CA ALA A 27 -10.753 6.989 -14.295 1.00 0.01 C ATOM 406 C ALA A 27 -11.675 7.883 -13.466 1.00 0.01 C ATOM 407 O ALA A 27 -11.243 8.844 -12.864 1.00 0.02 O ATOM 408 CB ALA A 27 -10.576 7.595 -15.688 1.00 0.24 C ATOM 0 H ALA A 27 -11.767 5.413 -15.314 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.789 6.923 -13.790 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -10.163 8.600 -15.598 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.896 6.974 -16.271 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.543 7.644 -16.189 1.00 0.24 H new ATOM 414 N ASP A 28 -12.946 7.583 -13.430 1.00 0.01 N ATOM 415 CA ASP A 28 -13.892 8.421 -12.638 1.00 0.02 C ATOM 416 C ASP A 28 -15.094 7.565 -12.228 1.00 0.01 C ATOM 417 O ASP A 28 -15.994 7.323 -13.008 1.00 0.02 O ATOM 418 CB ASP A 28 -14.368 9.600 -13.489 1.00 0.67 C ATOM 419 CG ASP A 28 -14.735 9.105 -14.889 1.00 0.90 C ATOM 420 OD1 ASP A 28 -14.912 7.909 -15.045 1.00 1.14 O ATOM 421 OD2 ASP A 28 -14.833 9.932 -15.782 1.00 0.87 O ATOM 0 H ASP A 28 -13.370 6.793 -13.916 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.391 8.801 -11.748 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -15.231 10.074 -13.022 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.585 10.356 -13.553 1.00 0.67 H new ATOM 426 N PHE A 29 -15.111 7.114 -10.999 1.00 0.02 N ATOM 427 CA PHE A 29 -16.246 6.274 -10.496 1.00 0.02 C ATOM 428 C PHE A 29 -17.148 7.110 -9.580 1.00 0.00 C ATOM 429 O PHE A 29 -18.019 6.609 -8.895 1.00 0.02 O ATOM 430 CB PHE A 29 -15.691 5.057 -9.745 1.00 2.87 C ATOM 431 CG PHE A 29 -15.110 5.484 -8.419 1.00 3.99 C ATOM 432 CD1 PHE A 29 -13.872 6.131 -8.378 1.00 4.68 C ATOM 433 CD2 PHE A 29 -15.809 5.228 -7.233 1.00 4.52 C ATOM 434 CE1 PHE A 29 -13.331 6.525 -7.151 1.00 5.85 C ATOM 435 CE2 PHE A 29 -15.268 5.621 -6.006 1.00 5.75 C ATOM 436 CZ PHE A 29 -14.030 6.270 -5.965 1.00 6.37 C ATOM 0 H PHE A 29 -14.378 7.293 -10.313 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.842 5.924 -11.339 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -16.484 4.327 -9.585 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -14.924 4.568 -10.346 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -13.334 6.326 -9.294 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -16.765 4.727 -7.267 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -12.375 7.026 -7.118 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -15.805 5.424 -5.090 1.00 5.75 H new ATOM 0 HZ PHE A 29 -13.612 6.575 -5.017 1.00 6.37 H new ATOM 446 N ARG A 30 -16.911 8.394 -9.548 1.00 0.01 N ATOM 447 CA ARG A 30 -17.709 9.298 -8.673 1.00 0.00 C ATOM 448 C ARG A 30 -19.200 9.217 -9.014 1.00 0.01 C ATOM 449 O ARG A 30 -20.042 9.525 -8.195 1.00 0.02 O ATOM 450 CB ARG A 30 -17.233 10.739 -8.864 1.00 0.32 C ATOM 451 CG ARG A 30 -15.841 10.906 -8.251 1.00 0.86 C ATOM 452 CD ARG A 30 -15.421 12.374 -8.339 1.00 1.62 C ATOM 453 NE ARG A 30 -15.429 12.810 -9.764 1.00 2.25 N ATOM 454 CZ ARG A 30 -15.399 14.080 -10.057 1.00 2.70 C ATOM 455 NH1 ARG A 30 -15.369 14.968 -9.100 1.00 3.11 N ATOM 456 NH2 ARG A 30 -15.401 14.464 -11.305 1.00 3.02 N ATOM 0 H ARG A 30 -16.189 8.860 -10.098 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.569 8.985 -7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.206 10.986 -9.925 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.933 11.429 -8.394 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.848 10.580 -7.211 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.122 10.278 -8.777 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -16.101 12.993 -7.755 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -14.426 12.505 -7.913 1.00 1.62 H new ATOM 0 HE ARG A 30 -15.458 12.115 -10.510 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -15.369 14.668 -8.125 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -15.345 15.962 -9.327 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -15.426 13.770 -12.052 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -15.378 15.458 -11.533 1.00 3.02 H new ATOM 470 N SER A 31 -19.547 8.829 -10.213 1.00 0.02 N ATOM 471 CA SER A 31 -20.990 8.758 -10.582 1.00 0.02 C ATOM 472 C SER A 31 -21.642 7.543 -9.922 1.00 0.01 C ATOM 473 O SER A 31 -22.851 7.439 -9.847 1.00 0.02 O ATOM 474 CB SER A 31 -21.119 8.639 -12.101 1.00 0.37 C ATOM 475 OG SER A 31 -20.294 7.575 -12.559 1.00 0.88 O ATOM 0 H SER A 31 -18.895 8.559 -10.950 1.00 0.02 H new ATOM 0 HA SER A 31 -21.491 9.663 -10.237 1.00 0.02 H new ATOM 0 HB2 SER A 31 -22.157 8.454 -12.376 1.00 0.37 H new ATOM 0 HB3 SER A 31 -20.825 9.574 -12.577 1.00 0.37 H new ATOM 0 HG SER A 31 -20.655 6.721 -12.241 1.00 0.88 H new ATOM 481 N TYR A 32 -20.847 6.613 -9.460 1.00 0.01 N ATOM 482 CA TYR A 32 -21.403 5.382 -8.817 1.00 0.01 C ATOM 483 C TYR A 32 -21.247 5.480 -7.301 1.00 0.02 C ATOM 484 O TYR A 32 -21.939 4.817 -6.554 1.00 0.02 O ATOM 485 CB TYR A 32 -20.625 4.165 -9.322 1.00 0.02 C ATOM 486 CG TYR A 32 -20.825 4.021 -10.811 1.00 0.02 C ATOM 487 CD1 TYR A 32 -19.971 4.688 -11.698 1.00 0.01 C ATOM 488 CD2 TYR A 32 -21.862 3.223 -11.306 1.00 0.01 C ATOM 489 CE1 TYR A 32 -20.156 4.557 -13.080 1.00 0.02 C ATOM 490 CE2 TYR A 32 -22.048 3.090 -12.688 1.00 0.00 C ATOM 491 CZ TYR A 32 -21.194 3.758 -13.574 1.00 0.02 C ATOM 492 OH TYR A 32 -21.377 3.628 -14.936 1.00 0.02 O ATOM 0 H TYR A 32 -19.829 6.653 -9.500 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.459 5.283 -9.067 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.565 4.279 -9.096 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -20.965 3.265 -8.810 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -19.170 5.303 -11.316 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -22.520 2.709 -10.621 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -19.498 5.072 -13.764 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -22.849 2.473 -13.069 1.00 0.00 H new ATOM 0 HH TYR A 32 -22.140 3.038 -15.109 1.00 0.02 H new ATOM 502 N LEU A 33 -20.333 6.289 -6.835 1.00 0.02 N ATOM 503 CA LEU A 33 -20.123 6.417 -5.360 1.00 0.02 C ATOM 504 C LEU A 33 -19.614 7.833 -5.042 1.00 0.02 C ATOM 505 O LEU A 33 -18.681 8.327 -5.643 1.00 0.02 O ATOM 506 CB LEU A 33 -19.068 5.374 -4.925 1.00 1.66 C ATOM 507 CG LEU A 33 -19.421 4.794 -3.540 1.00 2.38 C ATOM 508 CD1 LEU A 33 -20.731 3.972 -3.609 1.00 3.32 C ATOM 509 CD2 LEU A 33 -18.275 3.892 -3.062 1.00 2.80 C ATOM 0 H LEU A 33 -19.722 6.868 -7.411 1.00 0.02 H new ATOM 0 HA LEU A 33 -21.058 6.245 -4.826 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -19.018 4.571 -5.660 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.082 5.838 -4.891 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.564 5.617 -2.840 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -20.962 3.572 -2.622 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -21.547 4.615 -3.940 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -20.608 3.150 -4.314 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -18.520 3.480 -2.083 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -18.132 3.078 -3.773 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -17.358 4.476 -2.990 1.00 2.80 H new ATOM 521 N SER A 34 -20.255 8.486 -4.108 1.00 0.02 N ATOM 522 CA SER A 34 -19.859 9.879 -3.742 1.00 0.02 C ATOM 523 C SER A 34 -18.734 9.878 -2.698 1.00 0.00 C ATOM 524 O SER A 34 -18.148 10.903 -2.413 1.00 0.01 O ATOM 525 CB SER A 34 -21.076 10.603 -3.169 1.00 0.02 C ATOM 526 OG SER A 34 -21.692 9.780 -2.187 1.00 0.02 O ATOM 0 H SER A 34 -21.042 8.111 -3.579 1.00 0.02 H new ATOM 0 HA SER A 34 -19.496 10.386 -4.636 1.00 0.02 H new ATOM 0 HB2 SER A 34 -20.774 11.553 -2.727 1.00 0.02 H new ATOM 0 HB3 SER A 34 -21.785 10.833 -3.964 1.00 0.02 H new ATOM 0 HG SER A 34 -22.473 10.242 -1.816 1.00 0.02 H new ATOM 532 N ARG A 35 -18.421 8.747 -2.129 1.00 0.02 N ATOM 533 CA ARG A 35 -17.333 8.684 -1.109 1.00 0.01 C ATOM 534 C ARG A 35 -17.062 7.211 -0.801 1.00 0.02 C ATOM 535 O ARG A 35 -17.874 6.357 -1.094 1.00 0.02 O ATOM 536 CB ARG A 35 -17.776 9.401 0.169 1.00 0.02 C ATOM 537 CG ARG A 35 -19.126 8.842 0.625 1.00 0.02 C ATOM 538 CD ARG A 35 -19.615 9.622 1.847 1.00 0.02 C ATOM 539 NE ARG A 35 -20.834 8.966 2.399 1.00 0.02 N ATOM 540 CZ ARG A 35 -21.249 9.267 3.598 1.00 0.02 C ATOM 541 NH1 ARG A 35 -20.595 10.138 4.315 1.00 0.00 N ATOM 542 NH2 ARG A 35 -22.317 8.694 4.083 1.00 0.02 N ATOM 0 H ARG A 35 -18.875 7.856 -2.328 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.433 9.169 -1.487 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -17.030 9.265 0.952 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -17.856 10.473 -0.012 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -19.854 8.917 -0.183 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -19.030 7.784 0.870 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -18.833 9.658 2.606 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -19.837 10.652 1.569 1.00 0.02 H new ATOM 0 HE ARG A 35 -21.343 8.282 1.839 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -19.759 10.584 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.920 10.373 5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -22.827 8.010 3.524 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -22.641 8.930 5.021 1.00 0.02 H new ATOM 556 N CYS A 36 -15.937 6.893 -0.207 1.00 0.02 N ATOM 557 CA CYS A 36 -15.636 5.465 0.122 1.00 0.02 C ATOM 558 C CYS A 36 -14.880 5.407 1.454 1.00 0.02 C ATOM 559 O CYS A 36 -13.791 5.936 1.559 1.00 0.02 O ATOM 560 CB CYS A 36 -14.766 4.870 -0.981 1.00 0.02 C ATOM 561 SG CYS A 36 -13.447 6.038 -1.386 1.00 0.02 S ATOM 0 H CYS A 36 -15.215 7.561 0.064 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.564 4.898 0.201 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -14.341 3.921 -0.654 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -15.369 4.662 -1.865 1.00 0.02 H new ATOM 0 HG CYS A 36 -12.971 6.551 -0.291 1.00 0.02 H new ATOM 567 N ASN A 37 -15.436 4.802 2.482 1.00 0.02 N ATOM 568 CA ASN A 37 -14.725 4.761 3.807 1.00 0.01 C ATOM 569 C ASN A 37 -14.206 3.351 4.106 1.00 0.02 C ATOM 570 O ASN A 37 -13.604 3.101 5.133 1.00 0.02 O ATOM 571 CB ASN A 37 -15.684 5.188 4.921 1.00 0.02 C ATOM 572 CG ASN A 37 -16.384 6.487 4.520 1.00 0.01 C ATOM 573 OD1 ASN A 37 -16.419 6.838 3.358 1.00 0.03 O ATOM 574 ND2 ASN A 37 -16.945 7.222 5.440 1.00 0.02 N ATOM 0 H ASN A 37 -16.344 4.338 2.462 1.00 0.02 H new ATOM 0 HA ASN A 37 -13.878 5.445 3.760 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.421 4.405 5.101 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -15.136 5.330 5.853 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -17.413 8.091 5.183 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -16.916 6.927 6.416 1.00 0.02 H new ATOM 581 N SER A 38 -14.414 2.436 3.197 1.00 0.02 N ATOM 582 CA SER A 38 -13.920 1.042 3.385 1.00 0.02 C ATOM 583 C SER A 38 -13.763 0.412 2.002 1.00 0.01 C ATOM 584 O SER A 38 -14.408 0.815 1.054 1.00 0.02 O ATOM 585 CB SER A 38 -14.907 0.229 4.225 1.00 0.01 C ATOM 586 OG SER A 38 -14.888 0.703 5.565 1.00 0.02 O ATOM 0 H SER A 38 -14.912 2.598 2.321 1.00 0.02 H new ATOM 0 HA SER A 38 -12.966 1.052 3.912 1.00 0.02 H new ATOM 0 HB2 SER A 38 -15.912 0.316 3.811 1.00 0.01 H new ATOM 0 HB3 SER A 38 -14.641 -0.828 4.197 1.00 0.01 H new ATOM 0 HG SER A 38 -15.269 0.022 6.158 1.00 0.02 H new ATOM 592 N ILE A 39 -12.898 -0.560 1.867 1.00 0.02 N ATOM 593 CA ILE A 39 -12.686 -1.187 0.525 1.00 0.02 C ATOM 594 C ILE A 39 -12.376 -2.678 0.670 1.00 0.02 C ATOM 595 O ILE A 39 -11.716 -3.114 1.594 1.00 0.02 O ATOM 596 CB ILE A 39 -11.493 -0.507 -0.154 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.638 1.015 -0.037 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.444 -0.906 -1.629 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.541 1.706 -0.852 1.00 0.00 C ATOM 0 H ILE A 39 -12.332 -0.946 2.622 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.593 -1.066 -0.067 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.571 -0.822 0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.620 1.324 -0.396 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.571 1.316 1.008 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.594 -0.421 -2.109 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.337 -1.988 -1.710 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.365 -0.594 -2.121 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.649 2.787 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.564 1.408 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.628 1.416 -1.899 1.00 0.00 H new ATOM 611 N ARG A 40 -12.814 -3.458 -0.291 1.00 0.02 N ATOM 612 CA ARG A 40 -12.525 -4.923 -0.297 1.00 0.02 C ATOM 613 C ARG A 40 -11.824 -5.264 -1.613 1.00 0.01 C ATOM 614 O ARG A 40 -12.355 -5.022 -2.678 1.00 0.02 O ATOM 615 CB ARG A 40 -13.814 -5.744 -0.195 1.00 0.01 C ATOM 616 CG ARG A 40 -13.466 -7.226 -0.030 1.00 0.02 C ATOM 617 CD ARG A 40 -14.731 -8.012 0.321 1.00 0.02 C ATOM 618 NE ARG A 40 -14.452 -9.471 0.223 1.00 0.02 N ATOM 619 CZ ARG A 40 -15.278 -10.330 0.753 1.00 0.02 C ATOM 620 NH1 ARG A 40 -16.348 -9.910 1.368 1.00 0.02 N ATOM 621 NH2 ARG A 40 -15.034 -11.608 0.668 1.00 0.02 N ATOM 0 H ARG A 40 -13.368 -3.133 -1.083 1.00 0.02 H new ATOM 0 HA ARG A 40 -11.898 -5.164 0.561 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.408 -5.403 0.653 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.421 -5.600 -1.089 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -13.029 -7.612 -0.951 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -12.719 -7.350 0.754 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.060 -7.761 1.329 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.541 -7.739 -0.356 1.00 0.02 H new ATOM 0 HE ARG A 40 -13.615 -9.799 -0.259 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.539 -8.910 1.434 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -16.994 -10.581 1.783 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -14.197 -11.936 0.187 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -15.680 -12.279 1.083 1.00 0.02 H new ATOM 635 N VAL A 41 -10.666 -5.865 -1.555 1.00 0.02 N ATOM 636 CA VAL A 41 -9.962 -6.277 -2.806 1.00 0.01 C ATOM 637 C VAL A 41 -10.096 -7.794 -2.910 1.00 0.02 C ATOM 638 O VAL A 41 -9.602 -8.522 -2.075 1.00 0.02 O ATOM 639 CB VAL A 41 -8.494 -5.860 -2.742 1.00 0.01 C ATOM 640 CG1 VAL A 41 -7.817 -6.178 -4.079 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.417 -4.353 -2.490 1.00 0.00 C ATOM 0 H VAL A 41 -10.174 -6.090 -0.690 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.396 -5.796 -3.683 1.00 0.01 H new ATOM 0 HB VAL A 41 -7.992 -6.400 -1.939 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.769 -5.881 -4.036 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.883 -7.248 -4.275 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.316 -5.631 -4.879 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.373 -4.045 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.915 -3.822 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.908 -4.116 -1.546 1.00 0.00 H new ATOM 651 N GLU A 42 -10.797 -8.273 -3.905 1.00 0.01 N ATOM 652 CA GLU A 42 -11.001 -9.746 -4.035 1.00 0.01 C ATOM 653 C GLU A 42 -9.820 -10.386 -4.759 1.00 0.02 C ATOM 654 O GLU A 42 -9.450 -11.508 -4.473 1.00 0.01 O ATOM 655 CB GLU A 42 -12.287 -10.017 -4.818 1.00 0.99 C ATOM 656 CG GLU A 42 -12.725 -11.468 -4.597 1.00 1.86 C ATOM 657 CD GLU A 42 -13.985 -11.755 -5.417 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.630 -10.804 -5.829 1.00 3.81 O ATOM 659 OE2 GLU A 42 -14.286 -12.922 -5.616 1.00 3.67 O ATOM 0 H GLU A 42 -11.236 -7.708 -4.632 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.079 -10.179 -3.038 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -13.073 -9.335 -4.493 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.124 -9.833 -5.880 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -11.925 -12.148 -4.890 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -12.920 -11.642 -3.539 1.00 1.86 H new ATOM 666 N GLY A 43 -9.226 -9.707 -5.699 1.00 0.01 N ATOM 667 CA GLY A 43 -8.084 -10.323 -6.423 1.00 0.02 C ATOM 668 C GLY A 43 -7.277 -9.255 -7.156 1.00 0.02 C ATOM 669 O GLY A 43 -7.818 -8.259 -7.600 1.00 0.02 O ATOM 0 H GLY A 43 -9.479 -8.764 -5.994 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.442 -10.852 -5.719 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.453 -11.061 -7.135 1.00 0.02 H new ATOM 673 N GLY A 44 -5.999 -9.470 -7.317 1.00 0.00 N ATOM 674 CA GLY A 44 -5.164 -8.475 -8.049 1.00 0.01 C ATOM 675 C GLY A 44 -4.690 -7.371 -7.098 1.00 0.01 C ATOM 676 O GLY A 44 -5.124 -7.280 -5.966 1.00 0.01 O ATOM 0 H GLY A 44 -5.498 -10.290 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.303 -8.972 -8.496 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.740 -8.038 -8.865 1.00 0.01 H new ATOM 680 N THR A 45 -3.824 -6.515 -7.576 1.00 0.01 N ATOM 681 CA THR A 45 -3.322 -5.370 -6.747 1.00 0.00 C ATOM 682 C THR A 45 -3.711 -4.069 -7.451 1.00 0.01 C ATOM 683 O THR A 45 -3.615 -3.970 -8.657 1.00 0.01 O ATOM 684 CB THR A 45 -1.794 -5.460 -6.625 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.454 -6.578 -5.818 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.246 -4.183 -5.983 1.00 1.48 C ATOM 0 H THR A 45 -3.436 -6.559 -8.518 1.00 0.01 H new ATOM 0 HA THR A 45 -3.757 -5.401 -5.748 1.00 0.00 H new ATOM 0 HB THR A 45 -1.359 -5.575 -7.618 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.479 -6.640 -5.739 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.162 -4.254 -5.900 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.507 -3.324 -6.601 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.679 -4.060 -4.990 1.00 1.48 H new ATOM 694 N TRP A 46 -4.220 -3.091 -6.730 1.00 0.02 N ATOM 695 CA TRP A 46 -4.684 -1.826 -7.397 1.00 0.01 C ATOM 696 C TRP A 46 -4.057 -0.577 -6.774 1.00 0.01 C ATOM 697 O TRP A 46 -3.722 -0.526 -5.607 1.00 0.01 O ATOM 698 CB TRP A 46 -6.203 -1.722 -7.247 1.00 0.00 C ATOM 699 CG TRP A 46 -6.860 -2.857 -7.968 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.755 -4.162 -7.625 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.719 -2.810 -9.141 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.496 -4.918 -8.514 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.108 -4.130 -9.469 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.194 -1.759 -9.948 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.938 -4.399 -10.556 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -9.031 -2.026 -11.044 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.402 -3.344 -11.347 1.00 0.01 C ATOM 0 H TRP A 46 -4.333 -3.114 -5.717 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.381 -1.873 -8.443 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.476 -1.742 -6.192 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.554 -0.771 -7.649 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.186 -4.549 -6.793 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.580 -5.934 -8.470 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.913 -0.741 -9.723 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.221 -5.416 -10.786 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.391 -1.212 -11.656 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -10.046 -3.544 -12.191 1.00 0.01 H new ATOM 718 N ALA A 47 -3.973 0.457 -7.570 1.00 0.01 N ATOM 719 CA ALA A 47 -3.459 1.776 -7.099 1.00 0.01 C ATOM 720 C ALA A 47 -4.678 2.693 -7.049 1.00 0.01 C ATOM 721 O ALA A 47 -5.465 2.734 -7.974 1.00 0.01 O ATOM 722 CB ALA A 47 -2.421 2.322 -8.085 1.00 0.24 C ATOM 0 H ALA A 47 -4.247 0.440 -8.552 1.00 0.01 H new ATOM 0 HA ALA A 47 -2.971 1.699 -6.128 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.053 3.285 -7.730 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.589 1.622 -8.162 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -2.881 2.448 -9.065 1.00 0.24 H new ATOM 728 N VAL A 48 -4.830 3.440 -5.985 1.00 0.01 N ATOM 729 CA VAL A 48 -5.989 4.382 -5.871 1.00 0.02 C ATOM 730 C VAL A 48 -5.466 5.813 -5.758 1.00 0.01 C ATOM 731 O VAL A 48 -4.445 6.056 -5.144 1.00 0.01 O ATOM 732 CB VAL A 48 -6.826 4.034 -4.641 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.434 2.642 -4.818 1.00 0.48 C ATOM 734 CG2 VAL A 48 -5.936 4.047 -3.394 1.00 0.65 C ATOM 0 H VAL A 48 -4.198 3.439 -5.184 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.617 4.294 -6.758 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.623 4.769 -4.525 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.032 2.392 -3.941 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.068 2.632 -5.704 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.636 1.909 -4.935 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.534 3.799 -2.517 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.138 3.313 -3.509 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.501 5.039 -3.268 1.00 0.65 H new ATOM 744 N TYR A 49 -6.153 6.757 -6.354 1.00 0.01 N ATOM 745 CA TYR A 49 -5.696 8.185 -6.298 1.00 0.01 C ATOM 746 C TYR A 49 -6.778 9.055 -5.657 1.00 0.01 C ATOM 747 O TYR A 49 -7.962 8.812 -5.779 1.00 0.02 O ATOM 748 CB TYR A 49 -5.405 8.675 -7.715 1.00 0.01 C ATOM 749 CG TYR A 49 -4.324 7.814 -8.328 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.624 6.512 -8.748 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.025 8.317 -8.482 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.625 5.714 -9.319 1.00 0.01 C ATOM 753 CE2 TYR A 49 -2.028 7.517 -9.055 1.00 0.01 C ATOM 754 CZ TYR A 49 -2.329 6.216 -9.473 1.00 0.02 C ATOM 755 OH TYR A 49 -1.347 5.429 -10.038 1.00 0.01 O ATOM 0 H TYR A 49 -7.014 6.601 -6.879 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.790 8.253 -5.696 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.310 8.630 -8.321 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.088 9.718 -7.694 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.625 6.124 -8.632 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.793 9.321 -8.159 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.856 4.709 -9.641 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -1.027 7.904 -9.174 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.799 5.031 -9.330 1.00 0.01 H new ATOM 765 N GLU A 50 -6.349 10.051 -4.928 1.00 0.01 N ATOM 766 CA GLU A 50 -7.296 10.943 -4.206 1.00 0.01 C ATOM 767 C GLU A 50 -8.143 11.764 -5.180 1.00 0.01 C ATOM 768 O GLU A 50 -9.288 12.059 -4.896 1.00 0.02 O ATOM 769 CB GLU A 50 -6.489 11.897 -3.324 1.00 0.02 C ATOM 770 CG GLU A 50 -7.435 12.641 -2.378 1.00 0.01 C ATOM 771 CD GLU A 50 -6.621 13.523 -1.429 1.00 0.02 C ATOM 772 OE1 GLU A 50 -6.120 14.539 -1.880 1.00 0.02 O ATOM 773 OE2 GLU A 50 -6.513 13.167 -0.268 1.00 0.01 O ATOM 0 H GLU A 50 -5.364 10.286 -4.802 1.00 0.01 H new ATOM 0 HA GLU A 50 -7.967 10.327 -3.607 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.748 11.340 -2.751 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -5.943 12.609 -3.944 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -8.132 13.252 -2.951 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.030 11.928 -1.808 1.00 0.01 H new ATOM 780 N ARG A 51 -7.598 12.158 -6.312 1.00 0.02 N ATOM 781 CA ARG A 51 -8.390 12.990 -7.280 1.00 0.02 C ATOM 782 C ARG A 51 -8.385 12.311 -8.669 1.00 0.01 C ATOM 783 O ARG A 51 -7.511 11.516 -8.967 1.00 0.02 O ATOM 784 CB ARG A 51 -7.721 14.382 -7.372 1.00 0.02 C ATOM 785 CG ARG A 51 -8.406 15.367 -6.414 1.00 0.01 C ATOM 786 CD ARG A 51 -7.742 16.741 -6.528 1.00 0.02 C ATOM 787 NE ARG A 51 -8.146 17.382 -7.811 1.00 0.02 N ATOM 788 CZ ARG A 51 -7.954 18.661 -7.989 1.00 0.02 C ATOM 789 NH1 ARG A 51 -7.409 19.377 -7.043 1.00 0.02 N ATOM 790 NH2 ARG A 51 -8.305 19.226 -9.112 1.00 0.01 N ATOM 0 H ARG A 51 -6.646 11.941 -6.605 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.422 13.090 -6.944 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.662 14.301 -7.125 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -7.783 14.756 -8.394 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.467 15.444 -6.653 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.335 15.002 -5.389 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -8.035 17.369 -5.687 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -6.658 16.638 -6.486 1.00 0.02 H new ATOM 0 HE ARG A 51 -8.572 16.822 -8.549 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -7.133 18.937 -6.165 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -7.259 20.376 -7.182 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -8.730 18.668 -9.853 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -8.154 20.225 -9.249 1.00 0.01 H new ATOM 804 N PRO A 52 -9.359 12.627 -9.512 1.00 0.02 N ATOM 805 CA PRO A 52 -9.447 12.019 -10.873 1.00 0.02 C ATOM 806 C PRO A 52 -8.157 12.173 -11.687 1.00 0.01 C ATOM 807 O PRO A 52 -7.275 12.946 -11.372 1.00 0.02 O ATOM 808 CB PRO A 52 -10.622 12.791 -11.519 1.00 0.02 C ATOM 809 CG PRO A 52 -11.084 13.882 -10.535 1.00 0.01 C ATOM 810 CD PRO A 52 -10.437 13.602 -9.171 1.00 0.01 C ATOM 0 HA PRO A 52 -9.598 10.940 -10.833 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.309 13.239 -12.462 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.444 12.112 -11.746 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -10.795 14.868 -10.898 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.171 13.880 -10.448 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -10.035 14.509 -8.720 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.152 13.184 -8.462 1.00 0.01 H new ATOM 818 N ASN A 53 -8.092 11.440 -12.764 1.00 0.02 N ATOM 819 CA ASN A 53 -6.922 11.509 -13.676 1.00 0.02 C ATOM 820 C ASN A 53 -5.650 11.036 -12.975 1.00 0.01 C ATOM 821 O ASN A 53 -4.566 11.533 -13.212 1.00 0.01 O ATOM 822 CB ASN A 53 -6.750 12.952 -14.160 1.00 0.01 C ATOM 823 CG ASN A 53 -8.127 13.569 -14.425 1.00 0.02 C ATOM 824 OD1 ASN A 53 -9.102 12.860 -14.582 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.249 14.867 -14.481 1.00 0.01 N ATOM 0 H ASN A 53 -8.817 10.784 -13.054 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.099 10.851 -14.527 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -6.216 13.537 -13.411 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.149 12.973 -15.069 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -9.162 15.286 -14.656 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.431 15.462 -14.349 1.00 0.01 H new ATOM 832 N PHE A 54 -5.783 10.049 -12.128 1.00 0.02 N ATOM 833 CA PHE A 54 -4.603 9.490 -11.414 1.00 0.01 C ATOM 834 C PHE A 54 -3.720 10.613 -10.869 1.00 0.01 C ATOM 835 O PHE A 54 -2.527 10.653 -11.094 1.00 0.02 O ATOM 836 CB PHE A 54 -3.806 8.607 -12.385 1.00 1.78 C ATOM 837 CG PHE A 54 -4.766 7.886 -13.307 1.00 2.32 C ATOM 838 CD1 PHE A 54 -5.782 7.088 -12.767 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.647 8.020 -14.697 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.676 6.424 -13.616 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.541 7.356 -15.545 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.556 6.558 -15.004 1.00 3.39 C ATOM 0 H PHE A 54 -6.671 9.603 -11.900 1.00 0.02 H new ATOM 0 HA PHE A 54 -4.943 8.892 -10.569 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.115 9.217 -12.966 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.206 7.886 -11.830 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -5.876 6.985 -11.696 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -3.865 8.636 -15.114 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.459 5.808 -13.199 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.448 7.459 -16.616 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.246 6.046 -15.658 1.00 3.39 H new ATOM 852 N SER A 55 -4.323 11.527 -10.145 1.00 0.02 N ATOM 853 CA SER A 55 -3.558 12.675 -9.556 1.00 0.02 C ATOM 854 C SER A 55 -3.814 12.752 -8.047 1.00 0.01 C ATOM 855 O SER A 55 -4.739 12.153 -7.533 1.00 0.01 O ATOM 856 CB SER A 55 -4.024 13.974 -10.215 1.00 1.90 C ATOM 857 OG SER A 55 -3.822 13.891 -11.621 1.00 2.33 O ATOM 0 H SER A 55 -5.321 11.527 -9.935 1.00 0.02 H new ATOM 0 HA SER A 55 -2.492 12.529 -9.731 1.00 0.02 H new ATOM 0 HB2 SER A 55 -5.078 14.147 -9.998 1.00 1.90 H new ATOM 0 HB3 SER A 55 -3.471 14.820 -9.807 1.00 1.90 H new ATOM 0 HG SER A 55 -4.210 13.057 -11.959 1.00 2.33 H new ATOM 863 N GLY A 56 -2.991 13.476 -7.328 1.00 0.02 N ATOM 864 CA GLY A 56 -3.172 13.584 -5.848 1.00 0.02 C ATOM 865 C GLY A 56 -2.426 12.444 -5.145 1.00 0.02 C ATOM 866 O GLY A 56 -1.543 11.831 -5.711 1.00 0.00 O ATOM 0 H GLY A 56 -2.200 13.998 -7.704 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -2.798 14.546 -5.497 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.232 13.544 -5.599 1.00 0.02 H new ATOM 870 N HIS A 57 -2.759 12.164 -3.913 1.00 0.02 N ATOM 871 CA HIS A 57 -2.050 11.077 -3.171 1.00 0.02 C ATOM 872 C HIS A 57 -2.330 9.722 -3.825 1.00 0.01 C ATOM 873 O HIS A 57 -3.443 9.439 -4.215 1.00 0.01 O ATOM 874 CB HIS A 57 -2.538 11.053 -1.722 1.00 0.00 C ATOM 875 CG HIS A 57 -2.513 12.448 -1.159 1.00 0.01 C ATOM 876 ND1 HIS A 57 -3.457 13.403 -1.502 1.00 0.01 N ATOM 877 CD2 HIS A 57 -1.661 13.064 -0.276 1.00 0.01 C ATOM 878 CE1 HIS A 57 -3.153 14.532 -0.834 1.00 0.02 C ATOM 879 NE2 HIS A 57 -2.067 14.379 -0.073 1.00 0.01 N ATOM 0 H HIS A 57 -3.492 12.640 -3.387 1.00 0.02 H new ATOM 0 HA HIS A 57 -0.977 11.268 -3.197 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.549 10.649 -1.675 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.904 10.397 -1.125 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.805 12.598 0.190 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -3.719 15.449 -0.905 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -1.629 15.077 0.528 1.00 0.01 H new ATOM 887 N MET A 58 -1.322 8.881 -3.933 1.00 0.02 N ATOM 888 CA MET A 58 -1.508 7.526 -4.554 1.00 0.02 C ATOM 889 C MET A 58 -1.185 6.439 -3.519 1.00 0.01 C ATOM 890 O MET A 58 -0.220 6.534 -2.786 1.00 0.01 O ATOM 891 CB MET A 58 -0.556 7.385 -5.744 1.00 2.61 C ATOM 892 CG MET A 58 -0.649 5.969 -6.314 1.00 3.46 C ATOM 893 SD MET A 58 0.229 5.896 -7.895 1.00 4.50 S ATOM 894 CE MET A 58 1.863 6.354 -7.266 1.00 5.01 C ATOM 0 H MET A 58 -0.373 9.078 -3.615 1.00 0.02 H new ATOM 0 HA MET A 58 -2.540 7.416 -4.888 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.810 8.114 -6.513 1.00 2.61 H new ATOM 0 HB3 MET A 58 0.467 7.595 -5.431 1.00 2.61 H new ATOM 0 HG2 MET A 58 -0.218 5.254 -5.613 1.00 3.46 H new ATOM 0 HG3 MET A 58 -1.693 5.689 -6.453 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.631 5.990 -7.949 1.00 5.01 H new ATOM 0 HE2 MET A 58 1.932 7.439 -7.187 1.00 5.01 H new ATOM 0 HE3 MET A 58 2.012 5.909 -6.282 1.00 5.01 H new ATOM 904 N TYR A 59 -1.993 5.409 -3.456 1.00 0.02 N ATOM 905 CA TYR A 59 -1.759 4.298 -2.473 1.00 0.01 C ATOM 906 C TYR A 59 -1.926 2.941 -3.172 1.00 0.01 C ATOM 907 O TYR A 59 -2.824 2.736 -3.965 1.00 0.02 O ATOM 908 CB TYR A 59 -2.777 4.396 -1.338 1.00 0.01 C ATOM 909 CG TYR A 59 -2.481 5.617 -0.501 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.539 5.544 0.531 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.148 6.821 -0.757 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.262 6.675 1.308 1.00 0.02 C ATOM 913 CE2 TYR A 59 -2.871 7.953 0.019 1.00 0.01 C ATOM 914 CZ TYR A 59 -1.929 7.879 1.053 1.00 0.01 C ATOM 915 OH TYR A 59 -1.656 8.995 1.818 1.00 0.01 O ATOM 0 H TYR A 59 -2.814 5.287 -4.049 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.748 4.385 -2.075 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.786 4.457 -1.745 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.736 3.499 -0.720 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -1.025 4.615 0.728 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -3.876 6.877 -1.553 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.534 6.619 2.104 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.383 8.883 -0.180 1.00 0.01 H new ATOM 0 HH TYR A 59 -0.827 8.852 2.320 1.00 0.01 H new ATOM 925 N ILE A 60 -1.053 2.010 -2.866 1.00 0.02 N ATOM 926 CA ILE A 60 -1.125 0.646 -3.480 1.00 0.01 C ATOM 927 C ILE A 60 -1.874 -0.294 -2.527 1.00 0.01 C ATOM 928 O ILE A 60 -1.597 -0.328 -1.345 1.00 0.01 O ATOM 929 CB ILE A 60 0.294 0.118 -3.708 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.148 1.205 -4.377 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.244 -1.119 -4.608 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.423 1.762 -5.605 1.00 1.72 C ATOM 0 H ILE A 60 -0.284 2.140 -2.208 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.651 0.697 -4.433 1.00 0.01 H new ATOM 0 HB ILE A 60 0.736 -0.150 -2.749 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.349 2.008 -3.668 1.00 1.35 H new ATOM 0 HG13 ILE A 60 2.112 0.791 -4.671 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.255 -1.493 -4.769 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.357 -1.892 -4.130 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.202 -0.854 -5.567 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.037 2.532 -6.072 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.245 0.957 -6.319 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.530 2.194 -5.300 1.00 1.72 H new ATOM 944 N LEU A 61 -2.835 -1.041 -3.027 1.00 0.01 N ATOM 945 CA LEU A 61 -3.625 -1.967 -2.141 1.00 0.01 C ATOM 946 C LEU A 61 -3.507 -3.437 -2.632 1.00 0.01 C ATOM 947 O LEU A 61 -4.045 -3.773 -3.670 1.00 0.00 O ATOM 948 CB LEU A 61 -5.111 -1.540 -2.191 1.00 0.01 C ATOM 949 CG LEU A 61 -5.427 -0.516 -1.083 1.00 0.02 C ATOM 950 CD1 LEU A 61 -6.853 0.006 -1.288 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.311 -1.173 0.314 1.00 0.01 C ATOM 0 H LEU A 61 -3.107 -1.050 -4.010 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.235 -1.908 -1.125 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.337 -1.108 -3.166 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.749 -2.416 -2.075 1.00 0.01 H new ATOM 0 HG LEU A 61 -4.713 0.305 -1.138 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.090 0.732 -0.510 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -6.929 0.483 -2.265 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.556 -0.825 -1.235 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -5.538 -0.435 1.083 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.016 -2.001 0.386 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -4.297 -1.547 0.457 1.00 0.01 H new ATOM 963 N PRO A 62 -2.856 -4.330 -1.894 1.00 0.02 N ATOM 964 CA PRO A 62 -2.786 -5.756 -2.323 1.00 0.01 C ATOM 965 C PRO A 62 -4.114 -6.465 -2.009 1.00 0.00 C ATOM 966 O PRO A 62 -4.965 -5.925 -1.330 1.00 0.02 O ATOM 967 CB PRO A 62 -1.635 -6.303 -1.466 1.00 1.47 C ATOM 968 CG PRO A 62 -1.424 -5.333 -0.289 1.00 1.29 C ATOM 969 CD PRO A 62 -2.140 -4.009 -0.621 1.00 0.82 C ATOM 0 HA PRO A 62 -2.622 -5.898 -3.391 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.872 -7.302 -1.100 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.724 -6.389 -2.059 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -1.822 -5.760 0.631 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.360 -5.159 -0.126 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -2.831 -3.714 0.168 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.434 -3.189 -0.750 1.00 0.82 H new ATOM 977 N GLN A 63 -4.305 -7.661 -2.494 1.00 0.02 N ATOM 978 CA GLN A 63 -5.583 -8.380 -2.216 1.00 0.00 C ATOM 979 C GLN A 63 -5.858 -8.410 -0.709 1.00 0.00 C ATOM 980 O GLN A 63 -4.956 -8.585 0.086 1.00 0.02 O ATOM 981 CB GLN A 63 -5.480 -9.816 -2.738 1.00 1.27 C ATOM 982 CG GLN A 63 -6.862 -10.470 -2.711 1.00 1.67 C ATOM 983 CD GLN A 63 -6.744 -11.931 -3.143 1.00 2.43 C ATOM 984 OE1 GLN A 63 -6.143 -12.232 -4.155 1.00 4.25 O ATOM 985 NE2 GLN A 63 -7.297 -12.861 -2.414 1.00 3.04 N ATOM 0 H GLN A 63 -3.635 -8.171 -3.069 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.399 -7.859 -2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.085 -9.817 -3.754 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.783 -10.388 -2.125 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -7.285 -10.409 -1.708 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -7.541 -9.937 -3.376 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -7.802 -12.610 -1.564 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -7.224 -13.839 -2.694 1.00 3.04 H new ATOM 994 N GLY A 64 -7.097 -8.249 -0.302 1.00 0.02 N ATOM 995 CA GLY A 64 -7.401 -8.279 1.161 1.00 0.01 C ATOM 996 C GLY A 64 -8.688 -7.503 1.467 1.00 0.02 C ATOM 997 O GLY A 64 -9.348 -6.987 0.587 1.00 0.02 O ATOM 0 H GLY A 64 -7.900 -8.100 -0.913 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.506 -9.312 1.494 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.570 -7.847 1.718 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.045 -7.425 2.726 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.288 -6.694 3.138 1.00 0.02 C ATOM 1003 C GLU A 65 -9.927 -5.557 4.099 1.00 0.02 C ATOM 1004 O GLU A 65 -9.208 -5.742 5.061 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.225 -7.672 3.852 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.604 -7.032 4.015 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.425 -7.838 5.024 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -13.027 -7.889 6.177 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -14.436 -8.393 4.628 1.00 0.96 O ATOM 0 H GLU A 65 -8.522 -7.842 3.496 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.776 -6.280 2.255 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.307 -8.596 3.280 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.817 -7.936 4.828 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.500 -6.002 4.355 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -13.118 -7.001 3.054 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.448 -4.379 3.845 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.182 -3.201 4.727 1.00 0.02 C ATOM 1018 C TYR A 66 -11.538 -2.676 5.241 1.00 0.02 C ATOM 1019 O TYR A 66 -12.202 -1.931 4.547 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.505 -2.118 3.886 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.184 -2.640 3.377 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.132 -3.373 2.185 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -7.011 -2.398 4.101 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -6.907 -3.862 1.717 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.786 -2.888 3.635 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.734 -3.620 2.443 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.525 -4.103 1.982 1.00 0.01 O ATOM 0 H TYR A 66 -11.056 -4.183 3.050 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.542 -3.473 5.567 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.145 -1.837 3.050 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.349 -1.220 4.484 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.037 -3.561 1.627 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.051 -1.833 5.020 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -6.866 -4.426 0.797 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.881 -2.702 4.195 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.812 -3.846 2.603 1.00 0.01 H new ATOM 1037 N PRO A 67 -11.971 -3.067 6.428 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.289 -2.604 6.948 1.00 0.02 C ATOM 1039 C PRO A 67 -13.342 -1.098 7.257 1.00 0.02 C ATOM 1040 O PRO A 67 -14.383 -0.579 7.601 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.473 -3.450 8.229 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.212 -4.317 8.431 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.204 -3.989 7.315 1.00 0.01 C ATOM 0 HA PRO A 67 -14.081 -2.735 6.211 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.629 -2.802 9.091 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.357 -4.082 8.141 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.771 -4.121 9.408 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.473 -5.375 8.406 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.306 -3.514 7.710 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -10.884 -4.886 6.784 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.255 -0.385 7.122 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.301 1.081 7.399 1.00 0.01 C ATOM 1053 C GLU A 68 -11.142 1.744 6.658 1.00 0.03 C ATOM 1054 O GLU A 68 -10.159 1.119 6.318 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.150 1.343 8.902 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.406 0.879 9.645 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.407 1.461 11.061 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -13.094 2.633 11.200 1.00 1.55 O ATOM 1059 OE2 GLU A 68 -13.720 0.725 11.982 1.00 2.02 O ATOM 0 H GLU A 68 -11.346 -0.749 6.835 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.256 1.487 7.066 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.276 0.816 9.285 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -11.985 2.406 9.079 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.298 1.200 9.108 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.434 -0.210 9.688 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.284 3.006 6.365 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.233 3.719 5.590 1.00 0.02 C ATOM 1068 C TYR A 69 -8.883 3.713 6.312 1.00 0.01 C ATOM 1069 O TYR A 69 -7.844 3.570 5.698 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.691 5.153 5.307 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.919 5.884 6.609 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -12.121 5.717 7.309 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -9.927 6.733 7.115 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -12.330 6.399 8.514 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -10.137 7.414 8.320 1.00 0.02 C ATOM 1076 CZ TYR A 69 -11.338 7.247 9.019 1.00 0.02 C ATOM 1077 OH TYR A 69 -11.544 7.919 10.207 1.00 0.01 O ATOM 0 H TYR A 69 -12.087 3.576 6.631 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.089 3.190 4.648 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -9.940 5.674 4.714 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.609 5.142 4.720 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.886 5.062 6.919 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -9.000 6.862 6.576 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -13.257 6.271 9.054 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -9.372 8.069 8.710 1.00 0.02 H new ATOM 0 HH TYR A 69 -10.757 8.464 10.415 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.884 3.871 7.609 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.600 3.872 8.368 1.00 0.02 C ATOM 1089 C GLN A 70 -6.868 2.539 8.172 1.00 0.01 C ATOM 1090 O GLN A 70 -5.666 2.448 8.313 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.896 4.067 9.856 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.650 5.381 10.062 1.00 0.01 C ATOM 1093 CD GLN A 70 -8.642 5.750 11.546 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -9.266 5.088 12.352 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -7.959 6.788 11.943 1.00 0.02 N ATOM 0 H GLN A 70 -9.721 4.000 8.177 1.00 0.01 H new ATOM 0 HA GLN A 70 -6.970 4.682 8.001 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.489 3.233 10.231 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -6.966 4.077 10.424 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.185 6.174 9.477 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.676 5.283 9.707 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -7.435 7.343 11.266 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -7.948 7.044 12.930 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.599 1.504 7.842 1.00 0.01 N ATOM 1105 CA ARG A 71 -6.962 0.172 7.627 1.00 0.02 C ATOM 1106 C ARG A 71 -6.140 0.217 6.339 1.00 0.01 C ATOM 1107 O ARG A 71 -5.263 -0.592 6.109 1.00 0.02 O ATOM 1108 CB ARG A 71 -8.043 -0.908 7.514 1.00 0.34 C ATOM 1109 CG ARG A 71 -8.906 -0.923 8.789 1.00 0.72 C ATOM 1110 CD ARG A 71 -8.215 -1.740 9.888 1.00 1.04 C ATOM 1111 NE ARG A 71 -9.126 -1.860 11.062 1.00 1.67 N ATOM 1112 CZ ARG A 71 -8.882 -2.748 11.987 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -7.845 -3.532 11.881 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -9.678 -2.852 13.017 1.00 3.42 N ATOM 0 H ARG A 71 -8.611 1.526 7.712 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.313 -0.065 8.470 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.670 -0.717 6.643 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -7.580 -1.884 7.366 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -9.074 0.097 9.135 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -9.885 -1.350 8.569 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -7.956 -2.730 9.512 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -7.284 -1.257 10.184 1.00 1.04 H new ATOM 0 HE ARG A 71 -9.939 -1.249 11.142 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -7.225 -3.451 11.075 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -7.654 -4.226 12.604 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -10.490 -2.240 13.098 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -9.488 -3.546 13.740 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.432 1.174 5.500 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.704 1.332 4.209 1.00 0.01 C ATOM 1130 C TRP A 72 -4.801 2.566 4.337 1.00 0.01 C ATOM 1131 O TRP A 72 -4.219 3.043 3.382 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.770 1.496 3.100 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.294 2.366 1.976 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.236 2.103 1.175 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.857 3.626 1.512 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -5.113 3.125 0.251 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -6.089 4.088 0.420 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -7.950 4.406 1.933 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.392 5.282 -0.234 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.259 5.608 1.276 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.481 6.046 0.195 1.00 0.02 C ATOM 0 H TRP A 72 -7.162 1.869 5.660 1.00 0.02 H new ATOM 0 HA TRP A 72 -5.077 0.476 3.961 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -7.037 0.515 2.708 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.675 1.925 3.530 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.593 1.238 1.245 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.390 3.163 -0.467 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.554 4.078 2.766 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.789 5.614 -1.066 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -9.101 6.199 1.605 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.723 6.972 -0.305 1.00 0.02 H new ATOM 1152 N MET A 73 -4.689 3.078 5.531 1.00 0.02 N ATOM 1153 CA MET A 73 -3.839 4.278 5.771 1.00 0.02 C ATOM 1154 C MET A 73 -4.348 5.466 4.944 1.00 0.01 C ATOM 1155 O MET A 73 -3.622 6.395 4.657 1.00 0.02 O ATOM 1156 CB MET A 73 -2.390 3.968 5.384 1.00 0.02 C ATOM 1157 CG MET A 73 -2.012 2.578 5.897 1.00 0.01 C ATOM 1158 SD MET A 73 -0.215 2.375 5.822 1.00 0.01 S ATOM 1159 CE MET A 73 -0.100 0.973 6.959 1.00 0.01 C ATOM 0 H MET A 73 -5.156 2.712 6.361 1.00 0.02 H new ATOM 0 HA MET A 73 -3.888 4.537 6.829 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.274 4.012 4.301 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.721 4.718 5.807 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.361 2.450 6.922 1.00 0.01 H new ATOM 0 HG3 MET A 73 -2.501 1.811 5.296 1.00 0.01 H new ATOM 0 HE1 MET A 73 0.943 0.674 7.064 1.00 0.01 H new ATOM 0 HE2 MET A 73 -0.495 1.261 7.933 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.679 0.137 6.566 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.598 5.431 4.561 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.160 6.548 3.752 1.00 0.02 C ATOM 1171 C GLY A 74 -6.059 7.850 4.544 1.00 0.01 C ATOM 1172 O GLY A 74 -6.240 7.872 5.744 1.00 0.01 O ATOM 0 H GLY A 74 -6.251 4.677 4.774 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.617 6.639 2.811 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.201 6.342 3.501 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.813 8.946 3.879 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.753 10.245 4.604 1.00 0.02 C ATOM 1178 C LEU A 75 -7.194 10.709 4.854 1.00 0.01 C ATOM 1179 O LEU A 75 -7.491 11.351 5.842 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.999 11.278 3.763 1.00 0.55 C ATOM 1181 CG LEU A 75 -3.730 10.644 3.187 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -2.964 11.686 2.369 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -2.842 10.140 4.329 1.00 0.42 C ATOM 0 H LEU A 75 -5.652 8.998 2.873 1.00 0.02 H new ATOM 0 HA LEU A 75 -5.225 10.131 5.551 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -5.636 11.639 2.956 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -4.740 12.142 4.376 1.00 0.55 H new ATOM 0 HG LEU A 75 -4.005 9.807 2.545 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -2.061 11.234 1.959 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -3.593 12.043 1.554 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -2.692 12.524 3.011 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -1.939 9.689 3.916 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -2.568 10.976 4.973 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -3.386 9.396 4.911 1.00 0.42 H new ATOM 1195 N ASN A 76 -8.094 10.352 3.973 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.528 10.710 4.124 1.00 0.02 C ATOM 1197 C ASN A 76 -10.316 9.700 3.286 1.00 0.02 C ATOM 1198 O ASN A 76 -9.757 8.734 2.808 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.771 12.133 3.615 1.00 0.02 C ATOM 1200 CG ASN A 76 -11.175 12.589 4.018 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -11.613 12.342 5.125 1.00 0.01 O ATOM 1202 ND2 ASN A 76 -11.904 13.250 3.161 1.00 0.02 N ATOM 0 H ASN A 76 -7.883 9.812 3.134 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.838 10.679 5.168 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -9.025 12.811 4.029 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -9.664 12.166 2.531 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -12.841 13.559 3.420 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -11.537 13.457 2.232 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.597 9.889 3.102 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.388 8.903 2.295 1.00 0.01 C ATOM 1211 C ASP A 77 -12.570 9.408 0.860 1.00 0.01 C ATOM 1212 O ASP A 77 -13.563 9.106 0.221 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.766 8.721 2.935 1.00 0.01 C ATOM 1214 CG ASP A 77 -13.611 8.043 4.298 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -12.614 7.367 4.491 1.00 0.02 O ATOM 1216 OD2 ASP A 77 -14.492 8.213 5.124 1.00 0.01 O ATOM 0 H ASP A 77 -12.130 10.677 3.471 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.851 7.955 2.273 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.255 9.688 3.052 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -14.403 8.118 2.287 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.644 10.191 0.350 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.792 10.732 -1.040 1.00 0.01 C ATOM 1223 C ARG A 78 -10.986 9.904 -2.052 1.00 0.02 C ATOM 1224 O ARG A 78 -9.781 9.776 -1.947 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.311 12.184 -1.068 1.00 0.43 C ATOM 1226 CG ARG A 78 -11.756 12.847 -2.379 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.184 14.280 -2.480 1.00 1.00 C ATOM 1228 NE ARG A 78 -12.247 15.223 -2.955 1.00 1.30 N ATOM 1229 CZ ARG A 78 -13.002 14.934 -3.982 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -12.774 13.860 -4.688 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -13.969 15.739 -4.322 1.00 3.20 N ATOM 0 H ARG A 78 -10.794 10.477 0.837 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.844 10.677 -1.321 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -11.718 12.729 -0.216 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -10.225 12.220 -0.980 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -11.417 12.253 -3.228 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -12.844 12.879 -2.427 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -10.810 14.601 -1.508 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -10.339 14.295 -3.168 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.384 16.108 -2.467 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -12.003 13.240 -4.439 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -13.367 13.640 -5.488 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -14.135 16.592 -3.787 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -14.560 15.516 -5.123 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.638 9.384 -3.056 1.00 0.01 N ATOM 1246 CA LEU A 79 -10.926 8.607 -4.119 1.00 0.01 C ATOM 1247 C LEU A 79 -11.634 8.893 -5.447 1.00 0.01 C ATOM 1248 O LEU A 79 -12.831 8.718 -5.563 1.00 0.02 O ATOM 1249 CB LEU A 79 -10.973 7.105 -3.808 1.00 1.04 C ATOM 1250 CG LEU A 79 -9.938 6.748 -2.723 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.088 5.264 -2.355 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.500 7.015 -3.230 1.00 2.61 C ATOM 0 H LEU A 79 -12.646 9.464 -3.189 1.00 0.01 H new ATOM 0 HA LEU A 79 -9.878 8.902 -4.169 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -11.972 6.828 -3.472 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -10.772 6.533 -4.714 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.115 7.370 -1.846 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.359 5.004 -1.588 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.094 5.083 -1.976 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -9.918 4.651 -3.240 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -7.785 6.756 -2.449 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.307 6.407 -4.114 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.394 8.070 -3.484 1.00 2.61 H new ATOM 1264 N GLY A 80 -10.920 9.388 -6.434 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.568 9.751 -7.740 1.00 0.02 C ATOM 1266 C GLY A 80 -11.189 8.792 -8.875 1.00 0.02 C ATOM 1267 O GLY A 80 -11.843 8.769 -9.899 1.00 0.01 O ATOM 0 H GLY A 80 -9.915 9.557 -6.392 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.651 9.751 -7.616 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.279 10.765 -8.015 1.00 0.02 H new ATOM 1271 N SER A 81 -10.154 8.005 -8.739 1.00 0.01 N ATOM 1272 CA SER A 81 -9.790 7.080 -9.859 1.00 0.01 C ATOM 1273 C SER A 81 -8.980 5.896 -9.329 1.00 0.02 C ATOM 1274 O SER A 81 -8.352 5.969 -8.291 1.00 0.01 O ATOM 1275 CB SER A 81 -8.966 7.842 -10.898 1.00 0.01 C ATOM 1276 OG SER A 81 -7.756 8.289 -10.303 1.00 0.01 O ATOM 0 H SER A 81 -9.552 7.960 -7.917 1.00 0.01 H new ATOM 0 HA SER A 81 -10.703 6.702 -10.318 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.749 7.198 -11.750 1.00 0.01 H new ATOM 0 HB3 SER A 81 -9.534 8.692 -11.277 1.00 0.01 H new ATOM 0 HG SER A 81 -7.779 9.264 -10.207 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.994 4.798 -10.047 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.226 3.592 -9.600 1.00 0.01 C ATOM 1284 C CYS A 82 -7.664 2.846 -10.818 1.00 0.01 C ATOM 1285 O CYS A 82 -8.263 2.822 -11.875 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.146 2.657 -8.814 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.112 3.620 -7.624 1.00 0.02 S ATOM 0 H CYS A 82 -9.504 4.685 -10.923 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.402 3.914 -8.963 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.812 2.128 -9.495 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -8.556 1.902 -8.294 1.00 0.01 H new ATOM 0 HG CYS A 82 -10.784 2.814 -6.857 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.520 2.224 -10.669 1.00 0.01 N ATOM 1294 CA ARG A 83 -5.908 1.463 -11.808 1.00 0.01 C ATOM 1295 C ARG A 83 -5.338 0.138 -11.293 1.00 0.01 C ATOM 1296 O ARG A 83 -4.806 0.057 -10.203 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.748 2.266 -12.402 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.293 3.476 -13.161 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.149 4.165 -13.906 1.00 0.01 C ATOM 1300 NE ARG A 83 -3.612 3.247 -14.950 1.00 0.01 N ATOM 1301 CZ ARG A 83 -2.847 3.714 -15.899 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -2.560 4.987 -15.937 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -2.370 2.909 -16.808 1.00 0.01 N ATOM 0 H ARG A 83 -5.980 2.209 -9.804 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.676 1.286 -12.561 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.077 2.595 -11.608 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.164 1.637 -13.073 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -6.063 3.161 -13.865 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -5.762 4.173 -12.467 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.504 5.088 -14.365 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.359 4.440 -13.207 1.00 0.01 H new ATOM 0 HE ARG A 83 -3.842 2.254 -14.923 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.933 5.615 -15.226 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -1.962 5.353 -16.678 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -2.595 1.915 -16.777 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -1.772 3.274 -17.550 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.451 -0.905 -12.073 1.00 0.01 N ATOM 1318 CA ALA A 84 -4.922 -2.229 -11.639 1.00 0.01 C ATOM 1319 C ALA A 84 -3.405 -2.278 -11.854 1.00 0.01 C ATOM 1320 O ALA A 84 -2.898 -1.926 -12.901 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.580 -3.335 -12.466 1.00 0.43 C ATOM 0 H ALA A 84 -5.888 -0.895 -12.994 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.144 -2.374 -10.582 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.194 -4.304 -12.150 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.659 -3.308 -12.317 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.356 -3.182 -13.522 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.686 -2.733 -10.861 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.202 -2.842 -10.977 1.00 0.01 C ATOM 1329 C VAL A 85 -0.844 -4.237 -11.494 1.00 0.01 C ATOM 1330 O VAL A 85 -1.236 -5.233 -10.919 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.561 -2.623 -9.606 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.954 -2.482 -9.768 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.125 -1.345 -8.980 1.00 1.12 C ATOM 0 H VAL A 85 -3.068 -3.037 -9.965 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.831 -2.086 -11.669 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.781 -3.474 -8.962 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.411 -2.326 -8.791 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.358 -3.389 -10.217 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.173 -1.630 -10.412 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.669 -1.187 -8.002 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -0.903 -0.495 -9.625 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.205 -1.442 -8.866 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.102 -4.333 -12.568 1.00 0.01 N ATOM 1344 CA HIS A 86 0.273 -5.676 -13.101 1.00 0.01 C ATOM 1345 C HIS A 86 1.632 -6.079 -12.527 1.00 0.01 C ATOM 1346 O HIS A 86 2.574 -5.313 -12.532 1.00 0.00 O ATOM 1347 CB HIS A 86 0.374 -5.606 -14.627 1.00 0.21 C ATOM 1348 CG HIS A 86 -1.002 -5.434 -15.215 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -2.132 -5.971 -14.621 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -1.442 -4.787 -16.344 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -3.190 -5.640 -15.385 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -2.825 -4.919 -16.450 1.00 1.71 N ATOM 0 H HIS A 86 0.260 -3.540 -13.098 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.483 -6.408 -12.817 1.00 0.01 H new ATOM 0 HB2 HIS A 86 1.013 -4.774 -14.922 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.835 -6.515 -15.014 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -0.812 -4.257 -17.043 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -4.209 -5.922 -15.165 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -3.429 -4.546 -17.182 1.00 1.71 H new ATOM 1360 N LEU A 87 1.737 -7.283 -12.028 1.00 0.01 N ATOM 1361 CA LEU A 87 3.027 -7.760 -11.444 1.00 0.01 C ATOM 1362 C LEU A 87 3.769 -8.580 -12.504 1.00 0.01 C ATOM 1363 O LEU A 87 3.174 -9.363 -13.218 1.00 0.01 O ATOM 1364 CB LEU A 87 2.725 -8.646 -10.222 1.00 0.67 C ATOM 1365 CG LEU A 87 1.496 -8.116 -9.477 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.269 -8.956 -8.219 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.726 -6.656 -9.078 1.00 1.34 C ATOM 0 H LEU A 87 0.977 -7.963 -12.000 1.00 0.01 H new ATOM 0 HA LEU A 87 3.641 -6.914 -11.135 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.551 -9.673 -10.542 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.586 -8.662 -9.554 1.00 0.67 H new ATOM 0 HG LEU A 87 0.622 -8.180 -10.125 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.395 -8.583 -7.685 1.00 1.63 H new ATOM 0 HD12 LEU A 87 1.105 -9.996 -8.501 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.145 -8.889 -7.574 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.850 -6.281 -8.548 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.599 -6.589 -8.429 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.893 -6.056 -9.973 1.00 1.34 H new ATOM 1379 N SER A 88 5.069 -8.423 -12.597 1.00 0.01 N ATOM 1380 CA SER A 88 5.875 -9.201 -13.589 1.00 0.01 C ATOM 1381 C SER A 88 6.776 -10.190 -12.844 1.00 0.01 C ATOM 1382 O SER A 88 7.539 -9.786 -11.989 1.00 0.01 O ATOM 1383 CB SER A 88 6.751 -8.249 -14.404 1.00 0.81 C ATOM 1384 OG SER A 88 7.457 -8.990 -15.389 1.00 1.08 O ATOM 0 H SER A 88 5.611 -7.780 -12.020 1.00 0.01 H new ATOM 0 HA SER A 88 5.201 -9.739 -14.256 1.00 0.01 H new ATOM 0 HB2 SER A 88 6.135 -7.486 -14.879 1.00 0.81 H new ATOM 0 HB3 SER A 88 7.452 -7.731 -13.750 1.00 0.81 H new ATOM 0 HG SER A 88 8.019 -8.383 -15.915 1.00 1.08 H new ATOM 1390 N SER A 89 6.759 -11.456 -13.179 1.00 0.01 N ATOM 1391 CA SER A 89 7.686 -12.421 -12.502 1.00 0.01 C ATOM 1392 C SER A 89 8.804 -12.721 -13.499 1.00 0.01 C ATOM 1393 O SER A 89 9.052 -11.922 -14.381 1.00 0.01 O ATOM 1394 CB SER A 89 6.933 -13.710 -12.161 1.00 0.43 C ATOM 1395 OG SER A 89 6.431 -14.290 -13.358 1.00 1.26 O ATOM 0 H SER A 89 6.148 -11.863 -13.887 1.00 0.01 H new ATOM 0 HA SER A 89 8.083 -12.006 -11.576 1.00 0.01 H new ATOM 0 HB2 SER A 89 7.597 -14.410 -11.655 1.00 0.43 H new ATOM 0 HB3 SER A 89 6.113 -13.496 -11.475 1.00 0.43 H new ATOM 0 HG SER A 89 5.950 -15.116 -13.144 1.00 1.26 H new ATOM 1401 N GLY A 90 9.462 -13.856 -13.426 1.00 0.01 N ATOM 1402 CA GLY A 90 10.524 -14.167 -14.439 1.00 0.00 C ATOM 1403 C GLY A 90 11.774 -14.795 -13.814 1.00 0.00 C ATOM 1404 O GLY A 90 12.231 -15.830 -14.258 1.00 0.01 O ATOM 0 H GLY A 90 9.312 -14.574 -12.717 1.00 0.01 H new ATOM 0 HA2 GLY A 90 10.117 -14.846 -15.188 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.804 -13.250 -14.958 1.00 0.00 H new ATOM 1408 N GLY A 91 12.342 -14.207 -12.792 1.00 0.00 N ATOM 1409 CA GLY A 91 13.553 -14.834 -12.194 1.00 0.00 C ATOM 1410 C GLY A 91 14.114 -14.002 -11.036 1.00 0.00 C ATOM 1411 O GLY A 91 13.609 -14.066 -9.933 1.00 0.01 O ATOM 0 H GLY A 91 12.027 -13.340 -12.356 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.305 -15.833 -11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.318 -14.950 -12.961 1.00 0.00 H new ATOM 1415 N GLN A 92 15.161 -13.241 -11.262 1.00 1.80 N ATOM 1416 CA GLN A 92 15.769 -12.426 -10.152 1.00 2.31 C ATOM 1417 C GLN A 92 15.760 -10.937 -10.511 1.00 1.91 C ATOM 1418 O GLN A 92 16.351 -10.505 -11.481 1.00 2.31 O ATOM 1419 CB GLN A 92 17.203 -12.904 -9.919 1.00 2.11 C ATOM 1420 CG GLN A 92 17.730 -12.317 -8.608 1.00 2.86 C ATOM 1421 CD GLN A 92 17.075 -13.035 -7.426 1.00 3.70 C ATOM 1422 OE1 GLN A 92 16.186 -12.500 -6.793 1.00 3.99 O ATOM 1423 NE2 GLN A 92 17.479 -14.232 -7.100 1.00 4.43 N ATOM 0 H GLN A 92 15.623 -13.147 -12.167 1.00 1.80 H new ATOM 0 HA GLN A 92 15.183 -12.557 -9.242 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.233 -13.993 -9.880 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.839 -12.597 -10.749 1.00 2.11 H new ATOM 0 HG2 GLN A 92 18.813 -12.426 -8.558 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.515 -11.249 -8.563 1.00 2.86 H new ATOM 0 HE21 GLN A 92 18.225 -14.681 -7.631 1.00 4.43 H new ATOM 0 HE22 GLN A 92 17.049 -14.719 -6.314 1.00 4.43 H new ATOM 1432 N ALA A 93 15.080 -10.159 -9.712 1.00 0.01 N ATOM 1433 CA ALA A 93 15.016 -8.695 -9.986 1.00 0.01 C ATOM 1434 C ALA A 93 16.319 -8.032 -9.517 1.00 0.01 C ATOM 1435 O ALA A 93 16.753 -8.222 -8.398 1.00 0.01 O ATOM 1436 CB ALA A 93 13.835 -8.080 -9.230 1.00 2.99 C ATOM 0 H ALA A 93 14.569 -10.472 -8.886 1.00 0.01 H new ATOM 0 HA ALA A 93 14.885 -8.533 -11.056 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.791 -7.010 -9.432 1.00 2.99 H new ATOM 0 HB2 ALA A 93 12.908 -8.550 -9.559 1.00 2.99 H new ATOM 0 HB3 ALA A 93 13.964 -8.242 -8.160 1.00 2.99 H new ATOM 1442 N LYS A 94 16.944 -7.262 -10.370 1.00 0.00 N ATOM 1443 CA LYS A 94 18.227 -6.577 -10.002 1.00 0.01 C ATOM 1444 C LYS A 94 18.126 -5.094 -10.371 1.00 0.01 C ATOM 1445 O LYS A 94 17.551 -4.744 -11.382 1.00 0.01 O ATOM 1446 CB LYS A 94 19.365 -7.236 -10.785 1.00 2.49 C ATOM 1447 CG LYS A 94 20.704 -6.642 -10.342 1.00 3.43 C ATOM 1448 CD LYS A 94 21.847 -7.537 -10.831 1.00 4.11 C ATOM 1449 CE LYS A 94 21.881 -7.539 -12.360 1.00 5.23 C ATOM 1450 NZ LYS A 94 23.193 -8.072 -12.825 1.00 6.36 N ATOM 0 H LYS A 94 16.619 -7.074 -11.318 1.00 0.00 H new ATOM 0 HA LYS A 94 18.417 -6.664 -8.932 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.360 -8.313 -10.617 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.222 -7.080 -11.854 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.818 -5.636 -10.745 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.734 -6.556 -9.256 1.00 3.43 H new ATOM 0 HD2 LYS A 94 22.798 -7.178 -10.437 1.00 4.11 H new ATOM 0 HD3 LYS A 94 21.711 -8.553 -10.459 1.00 4.11 H new ATOM 0 HE2 LYS A 94 21.068 -8.150 -12.752 1.00 5.23 H new ATOM 0 HE3 LYS A 94 21.731 -6.528 -12.739 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 23.218 -8.074 -13.865 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 23.960 -7.471 -12.461 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 23.317 -9.043 -12.474 1.00 6.36 H new ATOM 1464 N ILE A 95 18.667 -4.216 -9.554 1.00 0.00 N ATOM 1465 CA ILE A 95 18.587 -2.746 -9.855 1.00 0.01 C ATOM 1466 C ILE A 95 19.976 -2.106 -9.754 1.00 0.01 C ATOM 1467 O ILE A 95 20.792 -2.471 -8.925 1.00 0.01 O ATOM 1468 CB ILE A 95 17.635 -2.082 -8.849 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.682 -0.559 -9.021 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.053 -2.446 -7.422 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.515 0.079 -8.263 1.00 1.09 C ATOM 0 H ILE A 95 19.160 -4.453 -8.693 1.00 0.00 H new ATOM 0 HA ILE A 95 18.213 -2.605 -10.869 1.00 0.01 H new ATOM 0 HB ILE A 95 16.620 -2.437 -9.030 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.629 -0.170 -8.646 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.627 -0.300 -10.078 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.375 -1.973 -6.712 1.00 0.36 H new ATOM 0 HG22 ILE A 95 18.013 -3.528 -7.296 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.070 -2.097 -7.240 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.550 1.161 -8.386 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.573 -0.301 -8.658 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.590 -0.168 -7.204 1.00 1.09 H new ATOM 1483 N GLN A 96 20.223 -1.110 -10.574 1.00 0.01 N ATOM 1484 CA GLN A 96 21.520 -0.366 -10.535 1.00 0.01 C ATOM 1485 C GLN A 96 21.196 1.108 -10.271 1.00 0.01 C ATOM 1486 O GLN A 96 20.314 1.662 -10.897 1.00 0.00 O ATOM 1487 CB GLN A 96 22.262 -0.517 -11.866 1.00 0.53 C ATOM 1488 CG GLN A 96 21.266 -0.443 -13.019 1.00 0.82 C ATOM 1489 CD GLN A 96 22.024 -0.307 -14.341 1.00 1.25 C ATOM 1490 OE1 GLN A 96 23.085 0.452 -14.396 1.00 1.75 O flip ATOM 1491 NE2 GLN A 96 21.648 -0.897 -15.334 1.00 2.05 N flip ATOM 0 H GLN A 96 19.567 -0.777 -11.281 1.00 0.01 H new ATOM 0 HA GLN A 96 22.164 -0.763 -9.751 1.00 0.01 H new ATOM 0 HB2 GLN A 96 23.010 0.269 -11.968 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.793 -1.468 -11.892 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.644 -1.338 -13.035 1.00 0.82 H new ATOM 0 HG3 GLN A 96 20.597 0.407 -12.882 1.00 0.82 H new ATOM 0 HE21 GLN A 96 20.819 -1.490 -15.292 1.00 2.05 H new ATOM 0 HE22 GLN A 96 22.161 -0.799 -16.210 1.00 2.05 H new ATOM 1500 N VAL A 97 21.886 1.759 -9.363 1.00 0.01 N ATOM 1501 CA VAL A 97 21.591 3.207 -9.079 1.00 0.01 C ATOM 1502 C VAL A 97 22.861 4.042 -9.257 1.00 0.01 C ATOM 1503 O VAL A 97 23.960 3.586 -9.004 1.00 0.01 O ATOM 1504 CB VAL A 97 21.085 3.349 -7.641 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.792 2.549 -7.473 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.143 2.814 -6.671 1.00 1.03 C ATOM 0 H VAL A 97 22.639 1.354 -8.806 1.00 0.01 H new ATOM 0 HA VAL A 97 20.829 3.562 -9.773 1.00 0.01 H new ATOM 0 HB VAL A 97 20.893 4.400 -7.427 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.432 2.650 -6.449 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.037 2.928 -8.162 1.00 1.10 H new ATOM 0 HG13 VAL A 97 19.984 1.498 -7.688 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.782 2.915 -5.647 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.335 1.763 -6.886 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.065 3.383 -6.789 1.00 1.03 H new ATOM 1516 N PHE A 98 22.708 5.263 -9.720 1.00 0.01 N ATOM 1517 CA PHE A 98 23.894 6.153 -9.957 1.00 0.01 C ATOM 1518 C PHE A 98 23.815 7.412 -9.086 1.00 0.01 C ATOM 1519 O PHE A 98 22.761 7.970 -8.855 1.00 0.01 O ATOM 1520 CB PHE A 98 23.924 6.561 -11.429 1.00 0.25 C ATOM 1521 CG PHE A 98 24.163 5.339 -12.284 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.112 4.449 -12.542 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.433 5.096 -12.822 1.00 0.58 C ATOM 1524 CE1 PHE A 98 23.333 3.318 -13.335 1.00 0.56 C ATOM 1525 CE2 PHE A 98 25.653 3.964 -13.616 1.00 0.73 C ATOM 1526 CZ PHE A 98 24.603 3.074 -13.872 1.00 0.69 C ATOM 0 H PHE A 98 21.807 5.684 -9.945 1.00 0.01 H new ATOM 0 HA PHE A 98 24.800 5.606 -9.695 1.00 0.01 H new ATOM 0 HB2 PHE A 98 22.982 7.033 -11.706 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.711 7.296 -11.598 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.132 4.636 -12.129 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.243 5.782 -12.624 1.00 0.58 H new ATOM 0 HE1 PHE A 98 22.523 2.632 -13.533 1.00 0.56 H new ATOM 0 HE2 PHE A 98 26.632 3.777 -14.031 1.00 0.73 H new ATOM 0 HZ PHE A 98 24.772 2.200 -14.483 1.00 0.69 H new ATOM 1536 N GLU A 99 24.944 7.830 -8.580 1.00 0.01 N ATOM 1537 CA GLU A 99 24.984 9.026 -7.689 1.00 0.01 C ATOM 1538 C GLU A 99 24.619 10.305 -8.454 1.00 0.01 C ATOM 1539 O GLU A 99 24.078 11.231 -7.882 1.00 0.01 O ATOM 1540 CB GLU A 99 26.391 9.172 -7.102 1.00 0.01 C ATOM 1541 CG GLU A 99 26.478 10.464 -6.283 1.00 0.01 C ATOM 1542 CD GLU A 99 27.720 10.423 -5.388 1.00 0.01 C ATOM 1543 OE1 GLU A 99 28.573 9.584 -5.632 1.00 0.02 O ATOM 1544 OE2 GLU A 99 27.796 11.229 -4.477 1.00 0.01 O ATOM 0 H GLU A 99 25.849 7.390 -8.747 1.00 0.01 H new ATOM 0 HA GLU A 99 24.253 8.884 -6.893 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.623 8.314 -6.471 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.130 9.188 -7.903 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.526 11.326 -6.949 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.582 10.581 -5.673 1.00 0.01 H new ATOM 1551 N LYS A 100 24.915 10.376 -9.733 1.00 0.01 N ATOM 1552 CA LYS A 100 24.588 11.611 -10.525 1.00 0.01 C ATOM 1553 C LYS A 100 23.579 11.283 -11.627 1.00 0.01 C ATOM 1554 O LYS A 100 23.270 10.136 -11.888 1.00 0.01 O ATOM 1555 CB LYS A 100 25.863 12.176 -11.156 1.00 0.94 C ATOM 1556 CG LYS A 100 26.901 12.446 -10.064 1.00 1.63 C ATOM 1557 CD LYS A 100 28.265 12.701 -10.708 1.00 2.19 C ATOM 1558 CE LYS A 100 29.329 12.840 -9.618 1.00 2.84 C ATOM 1559 NZ LYS A 100 30.662 13.053 -10.250 1.00 3.18 N ATOM 0 H LYS A 100 25.369 9.632 -10.263 1.00 0.01 H new ATOM 0 HA LYS A 100 24.154 12.351 -9.853 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.263 11.472 -11.885 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.637 13.097 -11.693 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.602 13.308 -9.468 1.00 1.63 H new ATOM 0 HG3 LYS A 100 26.961 11.595 -9.386 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.521 11.880 -11.378 1.00 2.19 H new ATOM 0 HD3 LYS A 100 28.229 13.607 -11.313 1.00 2.19 H new ATOM 0 HE2 LYS A 100 29.087 13.677 -8.963 1.00 2.84 H new ATOM 0 HE3 LYS A 100 29.348 11.945 -8.997 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 31.386 13.148 -9.510 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 30.892 12.241 -10.857 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 30.639 13.920 -10.825 1.00 3.18 H new ATOM 1573 N GLY A 101 23.060 12.293 -12.263 1.00 0.01 N ATOM 1574 CA GLY A 101 22.058 12.083 -13.347 1.00 0.01 C ATOM 1575 C GLY A 101 22.712 11.451 -14.580 1.00 0.00 C ATOM 1576 O GLY A 101 23.922 11.362 -14.692 1.00 0.01 O ATOM 0 H GLY A 101 23.289 13.269 -12.077 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.255 11.440 -12.986 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.605 13.036 -13.619 1.00 0.01 H new ATOM 1580 N ASP A 102 21.891 11.039 -15.512 1.00 0.01 N ATOM 1581 CA ASP A 102 22.388 10.437 -16.785 1.00 0.00 C ATOM 1582 C ASP A 102 23.360 9.290 -16.525 1.00 0.00 C ATOM 1583 O ASP A 102 24.326 9.100 -17.239 1.00 0.01 O ATOM 1584 CB ASP A 102 23.079 11.517 -17.616 1.00 0.01 C ATOM 1585 CG ASP A 102 22.123 12.693 -17.826 1.00 0.01 C ATOM 1586 OD1 ASP A 102 21.141 12.770 -17.106 1.00 0.01 O ATOM 1587 OD2 ASP A 102 22.389 13.497 -18.704 1.00 0.01 O ATOM 0 H ASP A 102 20.875 11.096 -15.442 1.00 0.01 H new ATOM 0 HA ASP A 102 21.533 10.032 -17.326 1.00 0.00 H new ATOM 0 HB2 ASP A 102 23.983 11.856 -17.111 1.00 0.01 H new ATOM 0 HB3 ASP A 102 23.386 11.108 -18.579 1.00 0.01 H new ATOM 1592 N PHE A 103 23.085 8.505 -15.527 1.00 0.01 N ATOM 1593 CA PHE A 103 23.951 7.339 -15.222 1.00 0.01 C ATOM 1594 C PHE A 103 25.412 7.762 -15.099 1.00 0.00 C ATOM 1595 O PHE A 103 26.293 7.144 -15.663 1.00 0.01 O ATOM 1596 CB PHE A 103 23.819 6.307 -16.342 1.00 0.01 C ATOM 1597 CG PHE A 103 22.359 6.126 -16.690 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.516 5.422 -15.824 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.848 6.662 -17.880 1.00 0.01 C ATOM 1600 CE1 PHE A 103 20.164 5.252 -16.144 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.497 6.492 -18.201 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.655 5.788 -17.333 1.00 0.01 C ATOM 0 H PHE A 103 22.288 8.623 -14.902 1.00 0.01 H new ATOM 0 HA PHE A 103 23.633 6.910 -14.272 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.375 6.634 -17.220 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.250 5.356 -16.028 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.909 5.009 -14.907 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.497 7.206 -18.549 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.514 4.708 -15.474 1.00 0.01 H new ATOM 0 HE2 PHE A 103 20.104 6.904 -19.119 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.612 5.658 -17.580 1.00 0.01 H new ATOM 1612 N ASN A 104 25.676 8.795 -14.341 1.00 0.00 N ATOM 1613 CA ASN A 104 27.085 9.260 -14.135 1.00 0.01 C ATOM 1614 C ASN A 104 27.376 9.257 -12.632 1.00 0.01 C ATOM 1615 O ASN A 104 26.480 9.155 -11.818 1.00 0.01 O ATOM 1616 CB ASN A 104 27.249 10.682 -14.679 1.00 1.68 C ATOM 1617 CG ASN A 104 28.662 11.183 -14.380 1.00 2.31 C ATOM 1618 OD1 ASN A 104 29.684 10.414 -14.646 1.00 3.15 O flip ATOM 1619 ND2 ASN A 104 28.841 12.285 -13.899 1.00 2.38 N flip ATOM 0 H ASN A 104 24.970 9.343 -13.850 1.00 0.00 H new ATOM 0 HA ASN A 104 27.775 8.599 -14.659 1.00 0.01 H new ATOM 0 HB2 ASN A 104 27.067 10.695 -15.754 1.00 1.68 H new ATOM 0 HB3 ASN A 104 26.513 11.344 -14.223 1.00 1.68 H new ATOM 0 HD21 ASN A 104 28.044 12.886 -13.691 1.00 2.38 H new ATOM 0 HD22 ASN A 104 29.788 12.608 -13.704 1.00 2.38 H new ATOM 1626 N GLY A 105 28.624 9.346 -12.252 1.00 0.01 N ATOM 1627 CA GLY A 105 28.965 9.336 -10.796 1.00 0.01 C ATOM 1628 C GLY A 105 29.241 7.901 -10.347 1.00 0.01 C ATOM 1629 O GLY A 105 29.443 7.017 -11.157 1.00 0.01 O ATOM 0 H GLY A 105 29.421 9.425 -12.884 1.00 0.01 H new ATOM 0 HA2 GLY A 105 29.839 9.960 -10.612 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.144 9.758 -10.216 1.00 0.01 H new ATOM 1633 N GLN A 106 29.240 7.650 -9.066 1.00 0.01 N ATOM 1634 CA GLN A 106 29.485 6.264 -8.581 1.00 0.01 C ATOM 1635 C GLN A 106 28.216 5.436 -8.786 1.00 0.01 C ATOM 1636 O GLN A 106 27.113 5.926 -8.657 1.00 0.01 O ATOM 1637 CB GLN A 106 29.839 6.303 -7.092 1.00 0.01 C ATOM 1638 CG GLN A 106 30.367 4.934 -6.657 1.00 0.01 C ATOM 1639 CD GLN A 106 31.773 4.725 -7.221 1.00 0.01 C ATOM 1640 OE1 GLN A 106 32.414 5.665 -7.648 1.00 0.01 O ATOM 1641 NE2 GLN A 106 32.282 3.525 -7.242 1.00 0.01 N ATOM 0 H GLN A 106 29.080 8.344 -8.336 1.00 0.01 H new ATOM 0 HA GLN A 106 30.310 5.816 -9.135 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.590 7.070 -6.906 1.00 0.01 H new ATOM 0 HB3 GLN A 106 28.960 6.569 -6.505 1.00 0.01 H new ATOM 0 HG2 GLN A 106 30.387 4.869 -5.569 1.00 0.01 H new ATOM 0 HG3 GLN A 106 29.701 4.147 -7.011 1.00 0.01 H new ATOM 0 HE21 GLN A 106 31.744 2.736 -6.883 1.00 0.01 H new ATOM 0 HE22 GLN A 106 33.219 3.375 -7.617 1.00 0.01 H new ATOM 1650 N MET A 107 28.379 4.180 -9.121 1.00 0.01 N ATOM 1651 CA MET A 107 27.201 3.285 -9.359 1.00 0.01 C ATOM 1652 C MET A 107 27.187 2.156 -8.327 1.00 0.01 C ATOM 1653 O MET A 107 28.210 1.618 -7.958 1.00 0.01 O ATOM 1654 CB MET A 107 27.303 2.676 -10.760 1.00 0.00 C ATOM 1655 CG MET A 107 25.984 1.993 -11.119 1.00 0.01 C ATOM 1656 SD MET A 107 26.222 0.956 -12.584 1.00 0.01 S ATOM 1657 CE MET A 107 26.704 -0.556 -11.716 1.00 0.01 C ATOM 0 H MET A 107 29.287 3.731 -9.241 1.00 0.01 H new ATOM 0 HA MET A 107 26.285 3.870 -9.270 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.532 3.453 -11.489 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.119 1.955 -10.795 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.637 1.386 -10.283 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.215 2.741 -11.311 1.00 0.01 H new ATOM 0 HE1 MET A 107 26.902 -1.345 -12.442 1.00 0.01 H new ATOM 0 HE2 MET A 107 27.603 -0.368 -11.129 1.00 0.01 H new ATOM 0 HE3 MET A 107 25.897 -0.868 -11.053 1.00 0.01 H new ATOM 1667 N TYR A 108 26.014 1.786 -7.876 1.00 0.01 N ATOM 1668 CA TYR A 108 25.873 0.678 -6.882 1.00 0.00 C ATOM 1669 C TYR A 108 24.781 -0.282 -7.374 1.00 0.01 C ATOM 1670 O TYR A 108 23.755 0.133 -7.874 1.00 0.01 O ATOM 1671 CB TYR A 108 25.468 1.251 -5.522 1.00 0.54 C ATOM 1672 CG TYR A 108 26.653 1.942 -4.892 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.625 1.192 -4.219 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.779 3.334 -4.980 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.724 1.833 -3.635 1.00 1.76 C ATOM 1676 CE2 TYR A 108 27.878 3.976 -4.396 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.850 3.225 -3.723 1.00 1.82 C ATOM 1678 OH TYR A 108 29.934 3.857 -3.147 1.00 2.48 O ATOM 0 H TYR A 108 25.133 2.213 -8.160 1.00 0.01 H new ATOM 0 HA TYR A 108 26.821 0.151 -6.778 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.645 1.956 -5.643 1.00 0.54 H new ATOM 0 HB3 TYR A 108 25.111 0.453 -4.871 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.527 0.119 -4.150 1.00 1.24 H new ATOM 0 HD2 TYR A 108 26.029 3.912 -5.498 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.474 1.254 -3.117 1.00 1.76 H new ATOM 0 HE2 TYR A 108 27.976 5.049 -4.464 1.00 1.51 H new ATOM 0 HH TYR A 108 29.869 4.823 -3.301 1.00 2.48 H new ATOM 1688 N GLU A 109 25.018 -1.566 -7.267 1.00 0.01 N ATOM 1689 CA GLU A 109 24.026 -2.582 -7.757 1.00 0.01 C ATOM 1690 C GLU A 109 23.532 -3.441 -6.591 1.00 0.01 C ATOM 1691 O GLU A 109 24.307 -3.906 -5.780 1.00 0.01 O ATOM 1692 CB GLU A 109 24.728 -3.461 -8.795 1.00 0.01 C ATOM 1693 CG GLU A 109 23.695 -4.332 -9.511 1.00 0.01 C ATOM 1694 CD GLU A 109 24.370 -5.084 -10.659 1.00 0.00 C ATOM 1695 OE1 GLU A 109 25.209 -5.924 -10.378 1.00 0.00 O ATOM 1696 OE2 GLU A 109 24.036 -4.807 -11.800 1.00 0.00 O ATOM 0 H GLU A 109 25.864 -1.961 -6.857 1.00 0.01 H new ATOM 0 HA GLU A 109 23.164 -2.085 -8.201 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.256 -2.838 -9.517 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.475 -4.089 -8.309 1.00 0.01 H new ATOM 0 HG2 GLU A 109 23.251 -5.039 -8.810 1.00 0.01 H new ATOM 0 HG3 GLU A 109 22.884 -3.712 -9.895 1.00 0.01 H new ATOM 1703 N THR A 110 22.238 -3.656 -6.495 1.00 0.01 N ATOM 1704 CA THR A 110 21.707 -4.488 -5.370 1.00 0.00 C ATOM 1705 C THR A 110 20.452 -5.257 -5.801 1.00 0.01 C ATOM 1706 O THR A 110 19.676 -4.821 -6.631 1.00 0.01 O ATOM 1707 CB THR A 110 21.358 -3.595 -4.176 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.774 -4.387 -3.151 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.367 -2.516 -4.615 1.00 1.69 C ATOM 0 H THR A 110 21.536 -3.295 -7.141 1.00 0.01 H new ATOM 0 HA THR A 110 22.481 -5.202 -5.087 1.00 0.00 H new ATOM 0 HB THR A 110 22.264 -3.121 -3.799 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.551 -3.818 -2.385 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.120 -1.881 -3.764 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.815 -1.909 -5.402 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.459 -2.987 -4.992 1.00 1.69 H new ATOM 1717 N THR A 111 20.275 -6.419 -5.224 1.00 0.00 N ATOM 1718 CA THR A 111 19.097 -7.287 -5.548 1.00 0.01 C ATOM 1719 C THR A 111 18.137 -7.354 -4.349 1.00 0.01 C ATOM 1720 O THR A 111 17.238 -8.170 -4.323 1.00 0.01 O ATOM 1721 CB THR A 111 19.590 -8.698 -5.876 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.343 -9.201 -4.782 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.472 -8.657 -7.126 1.00 0.01 C ATOM 0 H THR A 111 20.909 -6.812 -4.528 1.00 0.00 H new ATOM 0 HA THR A 111 18.568 -6.865 -6.402 1.00 0.01 H new ATOM 0 HB THR A 111 18.734 -9.347 -6.059 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.658 -10.105 -4.990 1.00 0.01 H new ATOM 0 HG21 THR A 111 20.822 -9.663 -7.358 1.00 0.01 H new ATOM 0 HG22 THR A 111 19.895 -8.271 -7.966 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.329 -8.007 -6.946 1.00 0.01 H new ATOM 1731 N GLU A 112 18.337 -6.530 -3.344 1.00 0.01 N ATOM 1732 CA GLU A 112 17.452 -6.579 -2.127 1.00 0.01 C ATOM 1733 C GLU A 112 16.753 -5.234 -1.883 1.00 0.01 C ATOM 1734 O GLU A 112 17.156 -4.204 -2.387 1.00 0.01 O ATOM 1735 CB GLU A 112 18.314 -6.912 -0.908 1.00 0.85 C ATOM 1736 CG GLU A 112 19.129 -8.176 -1.187 1.00 1.61 C ATOM 1737 CD GLU A 112 19.940 -8.546 0.055 1.00 2.51 C ATOM 1738 OE1 GLU A 112 19.903 -7.788 1.010 1.00 3.07 O ATOM 1739 OE2 GLU A 112 20.584 -9.583 0.031 1.00 3.21 O ATOM 0 H GLU A 112 19.074 -5.825 -3.312 1.00 0.01 H new ATOM 0 HA GLU A 112 16.687 -7.338 -2.289 1.00 0.01 H new ATOM 0 HB2 GLU A 112 18.981 -6.079 -0.683 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.682 -7.060 -0.032 1.00 0.85 H new ATOM 0 HG2 GLU A 112 18.465 -8.997 -1.458 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.796 -8.012 -2.034 1.00 1.61 H new ATOM 1746 N ASP A 113 15.718 -5.245 -1.079 1.00 0.01 N ATOM 1747 CA ASP A 113 14.989 -3.981 -0.749 1.00 0.01 C ATOM 1748 C ASP A 113 15.925 -3.093 0.072 1.00 0.00 C ATOM 1749 O ASP A 113 16.832 -3.576 0.719 1.00 0.01 O ATOM 1750 CB ASP A 113 13.752 -4.313 0.089 1.00 0.01 C ATOM 1751 CG ASP A 113 14.126 -5.325 1.173 1.00 0.01 C ATOM 1752 OD1 ASP A 113 15.262 -5.294 1.617 1.00 0.00 O ATOM 1753 OD2 ASP A 113 13.270 -6.112 1.543 1.00 0.00 O ATOM 0 H ASP A 113 15.344 -6.083 -0.634 1.00 0.01 H new ATOM 0 HA ASP A 113 14.681 -3.472 -1.662 1.00 0.01 H new ATOM 0 HB2 ASP A 113 13.355 -3.406 0.545 1.00 0.01 H new ATOM 0 HB3 ASP A 113 12.967 -4.720 -0.548 1.00 0.01 H new ATOM 1758 N CYS A 114 15.697 -1.796 0.069 1.00 0.01 N ATOM 1759 CA CYS A 114 16.557 -0.867 0.876 1.00 0.01 C ATOM 1760 C CYS A 114 15.660 -0.018 1.810 1.00 0.01 C ATOM 1761 O CYS A 114 14.901 0.808 1.329 1.00 0.01 O ATOM 1762 CB CYS A 114 17.299 0.066 -0.081 1.00 0.01 C ATOM 1763 SG CYS A 114 18.737 -0.799 -0.755 1.00 0.01 S ATOM 0 H CYS A 114 14.951 -1.342 -0.458 1.00 0.01 H new ATOM 0 HA CYS A 114 17.266 -1.441 1.472 1.00 0.01 H new ATOM 0 HB2 CYS A 114 16.637 0.381 -0.888 1.00 0.01 H new ATOM 0 HB3 CYS A 114 17.614 0.968 0.443 1.00 0.01 H new ATOM 0 HG CYS A 114 18.515 -1.105 -1.999 1.00 0.01 H new ATOM 1769 N PRO A 115 15.740 -0.174 3.128 1.00 0.01 N ATOM 1770 CA PRO A 115 14.902 0.658 4.039 1.00 0.01 C ATOM 1771 C PRO A 115 15.463 2.080 4.180 1.00 0.01 C ATOM 1772 O PRO A 115 14.722 3.025 4.379 1.00 0.01 O ATOM 1773 CB PRO A 115 14.988 -0.118 5.362 1.00 0.01 C ATOM 1774 CG PRO A 115 16.224 -1.033 5.287 1.00 0.01 C ATOM 1775 CD PRO A 115 16.629 -1.169 3.805 1.00 0.01 C ATOM 0 HA PRO A 115 13.881 0.800 3.684 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.071 0.569 6.204 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.085 -0.707 5.519 1.00 0.01 H new ATOM 0 HG2 PRO A 115 17.044 -0.613 5.869 1.00 0.01 H new ATOM 0 HG3 PRO A 115 16.000 -2.011 5.712 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.684 -0.940 3.651 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.464 -2.180 3.431 1.00 0.01 H new ATOM 1783 N SER A 116 16.762 2.240 4.097 1.00 0.01 N ATOM 1784 CA SER A 116 17.370 3.600 4.237 1.00 0.02 C ATOM 1785 C SER A 116 18.549 3.724 3.265 1.00 0.01 C ATOM 1786 O SER A 116 19.587 3.107 3.431 1.00 0.00 O ATOM 1787 CB SER A 116 17.860 3.788 5.673 1.00 0.01 C ATOM 1788 OG SER A 116 18.833 4.823 5.707 1.00 0.01 O ATOM 0 H SER A 116 17.429 1.485 3.938 1.00 0.01 H new ATOM 0 HA SER A 116 16.629 4.365 4.007 1.00 0.02 H new ATOM 0 HB2 SER A 116 17.023 4.039 6.325 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.288 2.858 6.048 1.00 0.01 H new ATOM 0 HG SER A 116 18.914 5.166 6.621 1.00 0.01 H new ATOM 1794 N ILE A 117 18.365 4.500 2.229 1.00 0.01 N ATOM 1795 CA ILE A 117 19.427 4.668 1.197 1.00 0.01 C ATOM 1796 C ILE A 117 20.671 5.322 1.795 1.00 0.01 C ATOM 1797 O ILE A 117 21.779 4.982 1.435 1.00 0.00 O ATOM 1798 CB ILE A 117 18.882 5.549 0.069 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.758 4.804 -0.650 1.00 1.44 C ATOM 1800 CG2 ILE A 117 19.995 5.876 -0.931 1.00 0.93 C ATOM 1801 CD1 ILE A 117 17.016 5.770 -1.573 1.00 1.83 C ATOM 0 H ILE A 117 17.512 5.031 2.053 1.00 0.01 H new ATOM 0 HA ILE A 117 19.707 3.687 0.814 1.00 0.01 H new ATOM 0 HB ILE A 117 18.502 6.479 0.493 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.168 3.975 -1.227 1.00 1.44 H new ATOM 0 HG13 ILE A 117 17.068 4.376 0.077 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.595 6.503 -1.728 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.798 6.407 -0.420 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.384 4.951 -1.357 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.214 5.239 -2.086 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.594 6.584 -0.984 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.710 6.177 -2.308 1.00 1.83 H new ATOM 1813 N MET A 118 20.505 6.275 2.670 1.00 0.02 N ATOM 1814 CA MET A 118 21.701 6.957 3.238 1.00 0.01 C ATOM 1815 C MET A 118 22.484 5.996 4.130 1.00 0.01 C ATOM 1816 O MET A 118 23.695 6.022 4.158 1.00 0.02 O ATOM 1817 CB MET A 118 21.275 8.185 4.048 1.00 0.24 C ATOM 1818 CG MET A 118 22.518 8.939 4.520 1.00 0.63 C ATOM 1819 SD MET A 118 22.023 10.519 5.250 1.00 1.20 S ATOM 1820 CE MET A 118 23.588 10.884 6.081 1.00 1.34 C ATOM 0 H MET A 118 19.604 6.608 3.013 1.00 0.02 H new ATOM 0 HA MET A 118 22.340 7.278 2.415 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.650 8.838 3.438 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.675 7.879 4.905 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.062 8.342 5.252 1.00 0.63 H new ATOM 0 HG3 MET A 118 23.194 9.109 3.682 1.00 0.63 H new ATOM 0 HE1 MET A 118 23.508 11.836 6.607 1.00 1.34 H new ATOM 0 HE2 MET A 118 23.814 10.093 6.796 1.00 1.34 H new ATOM 0 HE3 MET A 118 24.387 10.944 5.342 1.00 1.34 H new ATOM 1830 N GLU A 119 21.825 5.151 4.864 1.00 0.01 N ATOM 1831 CA GLU A 119 22.575 4.216 5.746 1.00 0.02 C ATOM 1832 C GLU A 119 23.306 3.166 4.907 1.00 0.02 C ATOM 1833 O GLU A 119 24.398 2.746 5.236 1.00 0.01 O ATOM 1834 CB GLU A 119 21.596 3.515 6.691 1.00 0.30 C ATOM 1835 CG GLU A 119 22.378 2.753 7.763 1.00 0.99 C ATOM 1836 CD GLU A 119 21.403 2.105 8.746 1.00 1.69 C ATOM 1837 OE1 GLU A 119 20.791 1.116 8.377 1.00 2.11 O ATOM 1838 OE2 GLU A 119 21.284 2.607 9.852 1.00 2.07 O ATOM 0 H GLU A 119 20.809 5.065 4.894 1.00 0.01 H new ATOM 0 HA GLU A 119 23.307 4.783 6.321 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.937 4.247 7.158 1.00 0.30 H new ATOM 0 HB3 GLU A 119 20.962 2.828 6.131 1.00 0.30 H new ATOM 0 HG2 GLU A 119 23.003 1.990 7.298 1.00 0.99 H new ATOM 0 HG3 GLU A 119 23.046 3.433 8.292 1.00 0.99 H new ATOM 1845 N GLN A 120 22.685 2.694 3.861 1.00 0.00 N ATOM 1846 CA GLN A 120 23.319 1.616 3.042 1.00 0.01 C ATOM 1847 C GLN A 120 24.392 2.158 2.088 1.00 0.01 C ATOM 1848 O GLN A 120 25.455 1.584 1.962 1.00 0.01 O ATOM 1849 CB GLN A 120 22.235 0.908 2.226 1.00 0.52 C ATOM 1850 CG GLN A 120 22.793 -0.398 1.656 1.00 1.07 C ATOM 1851 CD GLN A 120 22.957 -1.418 2.785 1.00 1.08 C ATOM 1852 OE1 GLN A 120 24.058 -1.680 3.227 1.00 0.98 O ATOM 1853 NE2 GLN A 120 21.900 -2.007 3.273 1.00 2.08 N ATOM 0 H GLN A 120 21.769 3.005 3.537 1.00 0.00 H new ATOM 0 HA GLN A 120 23.809 0.925 3.728 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.369 0.702 2.855 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.895 1.554 1.417 1.00 0.52 H new ATOM 0 HG2 GLN A 120 22.122 -0.790 0.892 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.753 -0.216 1.174 1.00 1.07 H new ATOM 0 HE21 GLN A 120 20.976 -1.786 2.901 1.00 2.08 H new ATOM 0 HE22 GLN A 120 21.998 -2.688 4.026 1.00 2.08 H new ATOM 1862 N PHE A 121 24.096 3.212 1.366 1.00 0.02 N ATOM 1863 CA PHE A 121 25.077 3.738 0.352 1.00 0.01 C ATOM 1864 C PHE A 121 25.673 5.086 0.758 1.00 0.01 C ATOM 1865 O PHE A 121 26.459 5.657 0.029 1.00 0.01 O ATOM 1866 CB PHE A 121 24.365 3.889 -0.990 1.00 0.01 C ATOM 1867 CG PHE A 121 23.686 2.588 -1.347 1.00 0.01 C ATOM 1868 CD1 PHE A 121 24.402 1.585 -2.012 1.00 0.01 C ATOM 1869 CD2 PHE A 121 22.343 2.386 -1.016 1.00 0.01 C ATOM 1870 CE1 PHE A 121 23.772 0.380 -2.345 1.00 0.01 C ATOM 1871 CE2 PHE A 121 21.713 1.181 -1.348 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.429 0.178 -2.013 1.00 0.01 C ATOM 0 H PHE A 121 23.221 3.733 1.431 1.00 0.02 H new ATOM 0 HA PHE A 121 25.899 3.025 0.284 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.630 4.692 -0.936 1.00 0.01 H new ATOM 0 HB3 PHE A 121 25.081 4.163 -1.765 1.00 0.01 H new ATOM 0 HD1 PHE A 121 25.440 1.741 -2.268 1.00 0.01 H new ATOM 0 HD2 PHE A 121 21.791 3.160 -0.504 1.00 0.01 H new ATOM 0 HE1 PHE A 121 24.324 -0.394 -2.858 1.00 0.01 H new ATOM 0 HE2 PHE A 121 20.676 1.025 -1.092 1.00 0.01 H new ATOM 0 HZ PHE A 121 21.944 -0.752 -2.270 1.00 0.01 H new ATOM 1882 N HIS A 122 25.315 5.613 1.892 1.00 0.01 N ATOM 1883 CA HIS A 122 25.878 6.929 2.300 1.00 0.01 C ATOM 1884 C HIS A 122 25.518 7.979 1.248 1.00 0.01 C ATOM 1885 O HIS A 122 26.264 8.904 0.998 1.00 0.02 O ATOM 1886 CB HIS A 122 27.402 6.812 2.435 1.00 0.01 C ATOM 1887 CG HIS A 122 27.750 5.492 3.064 1.00 0.01 C ATOM 1888 ND1 HIS A 122 28.880 4.775 2.701 1.00 0.01 N ATOM 1889 CD2 HIS A 122 27.127 4.746 4.033 1.00 0.01 C ATOM 1890 CE1 HIS A 122 28.902 3.653 3.442 1.00 0.00 C ATOM 1891 NE2 HIS A 122 27.856 3.584 4.271 1.00 0.01 N ATOM 0 H HIS A 122 24.660 5.193 2.552 1.00 0.01 H new ATOM 0 HA HIS A 122 25.461 7.230 3.261 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.872 6.895 1.455 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.788 7.630 3.044 1.00 0.01 H new ATOM 0 HD2 HIS A 122 26.210 5.019 4.535 1.00 0.01 H new ATOM 0 HE1 HIS A 122 29.672 2.899 3.375 1.00 0.00 H new ATOM 0 HE2 HIS A 122 27.639 2.841 4.935 1.00 0.01 H new ATOM 1899 N LEU A 123 24.367 7.834 0.629 1.00 0.01 N ATOM 1900 CA LEU A 123 23.927 8.815 -0.421 1.00 0.01 C ATOM 1901 C LEU A 123 22.719 9.589 0.109 1.00 0.02 C ATOM 1902 O LEU A 123 21.812 9.022 0.684 1.00 0.01 O ATOM 1903 CB LEU A 123 23.522 8.055 -1.702 1.00 0.01 C ATOM 1904 CG LEU A 123 24.755 7.793 -2.593 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.470 6.627 -3.550 1.00 0.01 C ATOM 1906 CD2 LEU A 123 25.075 9.036 -3.436 1.00 0.01 C ATOM 0 H LEU A 123 23.710 7.074 0.807 1.00 0.01 H new ATOM 0 HA LEU A 123 24.742 9.501 -0.652 1.00 0.01 H new ATOM 0 HB2 LEU A 123 23.051 7.108 -1.436 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.783 8.634 -2.256 1.00 0.01 H new ATOM 0 HG LEU A 123 25.599 7.554 -1.946 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.344 6.448 -4.176 1.00 0.01 H new ATOM 0 HD12 LEU A 123 24.246 5.729 -2.973 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.617 6.875 -4.181 1.00 0.01 H new ATOM 0 HD21 LEU A 123 25.947 8.838 -4.060 1.00 0.01 H new ATOM 0 HD22 LEU A 123 24.221 9.275 -4.070 1.00 0.01 H new ATOM 0 HD23 LEU A 123 25.284 9.879 -2.777 1.00 0.01 H new ATOM 1918 N ARG A 124 22.703 10.884 -0.077 1.00 0.01 N ATOM 1919 CA ARG A 124 21.556 11.698 0.417 1.00 0.00 C ATOM 1920 C ARG A 124 20.484 11.811 -0.670 1.00 0.01 C ATOM 1921 O ARG A 124 19.332 12.081 -0.392 1.00 0.01 O ATOM 1922 CB ARG A 124 22.045 13.100 0.788 1.00 1.67 C ATOM 1923 CG ARG A 124 22.888 13.025 2.061 1.00 1.98 C ATOM 1924 CD ARG A 124 23.352 14.430 2.453 1.00 2.92 C ATOM 1925 NE ARG A 124 24.307 14.943 1.429 1.00 3.54 N ATOM 1926 CZ ARG A 124 24.597 16.215 1.387 1.00 4.57 C ATOM 1927 NH1 ARG A 124 24.052 17.037 2.242 1.00 5.25 N ATOM 1928 NH2 ARG A 124 25.431 16.666 0.491 1.00 5.32 N ATOM 0 H ARG A 124 23.436 11.412 -0.550 1.00 0.01 H new ATOM 0 HA ARG A 124 21.129 11.211 1.294 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.635 13.519 -0.027 1.00 1.67 H new ATOM 0 HB3 ARG A 124 21.195 13.765 0.941 1.00 1.67 H new ATOM 0 HG2 ARG A 124 22.305 12.585 2.870 1.00 1.98 H new ATOM 0 HG3 ARG A 124 23.750 12.378 1.901 1.00 1.98 H new ATOM 0 HD2 ARG A 124 22.495 15.098 2.533 1.00 2.92 H new ATOM 0 HD3 ARG A 124 23.830 14.406 3.432 1.00 2.92 H new ATOM 0 HE ARG A 124 24.733 14.300 0.762 1.00 3.54 H new ATOM 0 HH11 ARG A 124 23.400 16.685 2.943 1.00 5.25 H new ATOM 0 HH12 ARG A 124 24.279 18.031 2.209 1.00 5.25 H new ATOM 0 HH21 ARG A 124 25.857 16.024 -0.178 1.00 5.32 H new ATOM 0 HH22 ARG A 124 25.657 17.660 0.459 1.00 5.32 H new ATOM 1942 N GLU A 125 20.858 11.627 -1.912 1.00 0.01 N ATOM 1943 CA GLU A 125 19.868 11.745 -3.026 1.00 0.01 C ATOM 1944 C GLU A 125 20.272 10.833 -4.191 1.00 0.01 C ATOM 1945 O GLU A 125 21.399 10.391 -4.287 1.00 0.01 O ATOM 1946 CB GLU A 125 19.835 13.191 -3.524 1.00 0.01 C ATOM 1947 CG GLU A 125 19.295 14.102 -2.420 1.00 0.01 C ATOM 1948 CD GLU A 125 18.954 15.472 -3.011 1.00 0.02 C ATOM 1949 OE1 GLU A 125 19.872 16.164 -3.419 1.00 0.02 O ATOM 1950 OE2 GLU A 125 17.780 15.805 -3.045 1.00 0.01 O ATOM 0 H GLU A 125 21.809 11.400 -2.203 1.00 0.01 H new ATOM 0 HA GLU A 125 18.886 11.450 -2.657 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.836 13.509 -3.815 1.00 0.01 H new ATOM 0 HB3 GLU A 125 19.207 13.266 -4.411 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.408 13.658 -1.969 1.00 0.01 H new ATOM 0 HG3 GLU A 125 20.036 14.210 -1.628 1.00 0.01 H new ATOM 1957 N ILE A 126 19.359 10.587 -5.097 1.00 0.01 N ATOM 1958 CA ILE A 126 19.665 9.745 -6.300 1.00 0.01 C ATOM 1959 C ILE A 126 19.136 10.493 -7.529 1.00 0.01 C ATOM 1960 O ILE A 126 18.011 10.952 -7.538 1.00 0.01 O ATOM 1961 CB ILE A 126 18.974 8.377 -6.171 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.757 7.535 -5.154 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.962 7.666 -7.536 1.00 2.17 C ATOM 1964 CD1 ILE A 126 19.063 6.191 -4.935 1.00 1.70 C ATOM 0 H ILE A 126 18.402 10.937 -5.056 1.00 0.01 H new ATOM 0 HA ILE A 126 20.738 9.573 -6.390 1.00 0.01 H new ATOM 0 HB ILE A 126 17.945 8.508 -5.838 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.774 7.373 -5.511 1.00 1.49 H new ATOM 0 HG13 ILE A 126 19.833 8.072 -4.208 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.471 6.698 -7.438 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.420 8.276 -8.259 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.986 7.520 -7.879 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.628 5.603 -4.212 1.00 1.70 H new ATOM 0 HD12 ILE A 126 18.055 6.360 -4.557 1.00 1.70 H new ATOM 0 HD13 ILE A 126 19.011 5.650 -5.880 1.00 1.70 H new ATOM 1976 N HIS A 127 19.950 10.658 -8.549 1.00 0.01 N ATOM 1977 CA HIS A 127 19.499 11.431 -9.757 1.00 0.01 C ATOM 1978 C HIS A 127 19.246 10.531 -10.970 1.00 0.01 C ATOM 1979 O HIS A 127 18.660 10.953 -11.946 1.00 0.01 O ATOM 1980 CB HIS A 127 20.552 12.482 -10.117 1.00 0.02 C ATOM 1981 CG HIS A 127 20.589 13.541 -9.049 1.00 0.01 C ATOM 1982 ND1 HIS A 127 20.893 13.251 -7.729 1.00 0.01 N ATOM 1983 CD2 HIS A 127 20.363 14.895 -9.093 1.00 0.01 C ATOM 1984 CE1 HIS A 127 20.840 14.404 -7.037 1.00 0.01 C ATOM 1985 NE2 HIS A 127 20.521 15.438 -7.822 1.00 0.02 N ATOM 0 H HIS A 127 20.901 10.294 -8.598 1.00 0.01 H new ATOM 0 HA HIS A 127 18.553 11.908 -9.500 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.531 12.013 -10.213 1.00 0.02 H new ATOM 0 HB3 HIS A 127 20.318 12.932 -11.082 1.00 0.02 H new ATOM 0 HD2 HIS A 127 20.102 15.453 -9.980 1.00 0.01 H new ATOM 0 HE1 HIS A 127 21.032 14.484 -5.977 1.00 0.01 H new ATOM 0 HE2 HIS A 127 20.416 16.415 -7.548 1.00 0.02 H new ATOM 1993 N SER A 128 19.653 9.290 -10.918 1.00 0.01 N ATOM 1994 CA SER A 128 19.396 8.375 -12.069 1.00 0.01 C ATOM 1995 C SER A 128 19.481 6.925 -11.585 1.00 0.01 C ATOM 1996 O SER A 128 20.171 6.624 -10.629 1.00 0.01 O ATOM 1997 CB SER A 128 20.445 8.612 -13.156 1.00 0.01 C ATOM 1998 OG SER A 128 20.492 7.482 -14.018 1.00 0.01 O ATOM 0 H SER A 128 20.150 8.872 -10.132 1.00 0.01 H new ATOM 0 HA SER A 128 18.404 8.569 -12.477 1.00 0.01 H new ATOM 0 HB2 SER A 128 20.199 9.508 -13.726 1.00 0.01 H new ATOM 0 HB3 SER A 128 21.422 8.780 -12.704 1.00 0.01 H new ATOM 0 HG SER A 128 21.400 7.114 -14.025 1.00 0.01 H new ATOM 2004 N CYS A 129 18.783 6.025 -12.226 1.00 0.01 N ATOM 2005 CA CYS A 129 18.823 4.598 -11.794 1.00 0.01 C ATOM 2006 C CYS A 129 18.142 3.733 -12.855 1.00 0.00 C ATOM 2007 O CYS A 129 17.183 4.153 -13.471 1.00 0.01 O ATOM 2008 CB CYS A 129 18.098 4.442 -10.457 1.00 0.69 C ATOM 2009 SG CYS A 129 16.490 5.268 -10.544 1.00 1.22 S ATOM 0 H CYS A 129 18.187 6.217 -13.031 1.00 0.01 H new ATOM 0 HA CYS A 129 19.859 4.282 -11.675 1.00 0.01 H new ATOM 0 HB2 CYS A 129 17.964 3.386 -10.225 1.00 0.69 H new ATOM 0 HB3 CYS A 129 18.697 4.872 -9.654 1.00 0.69 H new ATOM 0 HG CYS A 129 16.649 6.482 -10.980 1.00 1.22 H new ATOM 2015 N LYS A 130 18.628 2.530 -13.079 1.00 0.01 N ATOM 2016 CA LYS A 130 18.001 1.641 -14.114 1.00 0.01 C ATOM 2017 C LYS A 130 17.639 0.286 -13.497 1.00 0.01 C ATOM 2018 O LYS A 130 18.482 -0.513 -13.137 1.00 0.01 O ATOM 2019 CB LYS A 130 18.985 1.432 -15.274 1.00 0.55 C ATOM 2020 CG LYS A 130 18.226 0.955 -16.516 1.00 0.80 C ATOM 2021 CD LYS A 130 19.227 0.559 -17.604 1.00 0.29 C ATOM 2022 CE LYS A 130 18.486 0.326 -18.921 1.00 0.33 C ATOM 2023 NZ LYS A 130 19.470 0.037 -20.001 1.00 1.41 N ATOM 0 H LYS A 130 19.429 2.128 -12.591 1.00 0.01 H new ATOM 0 HA LYS A 130 17.092 2.114 -14.486 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.509 2.363 -15.491 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.741 0.699 -14.994 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.592 0.105 -16.264 1.00 0.80 H new ATOM 0 HG3 LYS A 130 17.570 1.746 -16.881 1.00 0.80 H new ATOM 0 HD2 LYS A 130 19.973 1.343 -17.729 1.00 0.29 H new ATOM 0 HD3 LYS A 130 19.761 -0.345 -17.310 1.00 0.29 H new ATOM 0 HE2 LYS A 130 17.790 -0.506 -18.816 1.00 0.33 H new ATOM 0 HE3 LYS A 130 17.895 1.205 -19.179 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 18.966 -0.121 -20.897 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 20.117 0.844 -20.106 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 20.015 -0.814 -19.755 1.00 1.41 H new ATOM 2037 N VAL A 131 16.365 0.038 -13.387 1.00 0.01 N ATOM 2038 CA VAL A 131 15.846 -1.245 -12.827 1.00 0.01 C ATOM 2039 C VAL A 131 15.133 -1.980 -13.958 1.00 0.01 C ATOM 2040 O VAL A 131 14.371 -1.377 -14.688 1.00 0.01 O ATOM 2041 CB VAL A 131 14.867 -0.959 -11.689 1.00 0.01 C ATOM 2042 CG1 VAL A 131 13.695 -0.127 -12.208 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.342 -2.278 -11.127 1.00 0.01 C ATOM 0 H VAL A 131 15.636 0.693 -13.671 1.00 0.01 H new ATOM 0 HA VAL A 131 16.661 -1.850 -12.429 1.00 0.01 H new ATOM 0 HB VAL A 131 15.382 -0.404 -10.905 1.00 0.01 H new ATOM 0 HG11 VAL A 131 13.001 0.073 -11.392 1.00 0.01 H new ATOM 0 HG12 VAL A 131 14.067 0.816 -12.607 1.00 0.01 H new ATOM 0 HG13 VAL A 131 13.180 -0.676 -12.996 1.00 0.01 H new ATOM 0 HG21 VAL A 131 13.644 -2.075 -10.315 1.00 0.01 H new ATOM 0 HG22 VAL A 131 13.832 -2.832 -11.915 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.176 -2.870 -10.749 1.00 0.01 H new ATOM 2053 N VAL A 132 15.310 -3.276 -14.101 1.00 0.01 N ATOM 2054 CA VAL A 132 14.576 -4.022 -15.153 1.00 0.01 C ATOM 2055 C VAL A 132 13.896 -5.198 -14.467 1.00 0.00 C ATOM 2056 O VAL A 132 14.443 -6.270 -14.303 1.00 0.01 O ATOM 2057 CB VAL A 132 15.564 -4.536 -16.204 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.792 -5.146 -17.373 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.417 -3.372 -16.711 1.00 1.98 C ATOM 0 H VAL A 132 15.935 -3.842 -13.528 1.00 0.01 H new ATOM 0 HA VAL A 132 13.846 -3.384 -15.652 1.00 0.01 H new ATOM 0 HB VAL A 132 16.208 -5.294 -15.758 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.495 -5.512 -18.122 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.181 -5.974 -17.013 1.00 1.00 H new ATOM 0 HG13 VAL A 132 14.149 -4.388 -17.819 1.00 1.00 H new ATOM 0 HG21 VAL A 132 17.121 -3.736 -17.459 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.772 -2.615 -17.157 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.967 -2.934 -15.878 1.00 1.98 H new ATOM 2069 N GLU A 133 12.680 -4.976 -14.115 1.00 0.01 N ATOM 2070 CA GLU A 133 11.826 -6.016 -13.473 1.00 0.01 C ATOM 2071 C GLU A 133 10.412 -5.774 -13.990 1.00 0.01 C ATOM 2072 O GLU A 133 9.928 -6.469 -14.862 1.00 0.01 O ATOM 2073 CB GLU A 133 11.867 -5.860 -11.949 1.00 0.00 C ATOM 2074 CG GLU A 133 11.072 -6.992 -11.290 1.00 0.00 C ATOM 2075 CD GLU A 133 9.571 -6.709 -11.408 1.00 0.00 C ATOM 2076 OE1 GLU A 133 9.180 -5.577 -11.168 1.00 0.00 O ATOM 2077 OE2 GLU A 133 8.838 -7.628 -11.735 1.00 0.00 O ATOM 0 H GLU A 133 12.212 -4.080 -14.247 1.00 0.01 H new ATOM 0 HA GLU A 133 12.170 -7.023 -13.709 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.900 -5.877 -11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.450 -4.895 -11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.311 -7.942 -11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.353 -7.083 -10.241 1.00 0.00 H new ATOM 2084 N GLY A 134 9.747 -4.791 -13.454 1.00 0.01 N ATOM 2085 CA GLY A 134 8.361 -4.491 -13.899 1.00 0.01 C ATOM 2086 C GLY A 134 7.793 -3.370 -13.030 1.00 0.01 C ATOM 2087 O GLY A 134 7.662 -2.244 -13.466 1.00 0.01 O ATOM 0 H GLY A 134 10.107 -4.179 -12.722 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.358 -4.193 -14.948 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.738 -5.382 -13.819 1.00 0.01 H new ATOM 2091 N THR A 135 7.453 -3.674 -11.800 1.00 0.01 N ATOM 2092 CA THR A 135 6.886 -2.634 -10.879 1.00 0.01 C ATOM 2093 C THR A 135 7.791 -2.460 -9.653 1.00 0.01 C ATOM 2094 O THR A 135 8.010 -3.381 -8.892 1.00 0.01 O ATOM 2095 CB THR A 135 5.495 -3.076 -10.424 1.00 1.43 C ATOM 2096 OG1 THR A 135 5.620 -4.182 -9.540 1.00 1.92 O ATOM 2097 CG2 THR A 135 4.667 -3.487 -11.641 1.00 2.30 C ATOM 0 H THR A 135 7.544 -4.604 -11.391 1.00 0.01 H new ATOM 0 HA THR A 135 6.822 -1.683 -11.408 1.00 0.01 H new ATOM 0 HB THR A 135 4.999 -2.252 -9.911 1.00 1.43 H new ATOM 0 HG1 THR A 135 6.568 -4.347 -9.354 1.00 1.92 H new ATOM 0 HG21 THR A 135 3.675 -3.802 -11.317 1.00 2.30 H new ATOM 0 HG22 THR A 135 4.574 -2.640 -12.321 1.00 2.30 H new ATOM 0 HG23 THR A 135 5.160 -4.312 -12.155 1.00 2.30 H new ATOM 2105 N TRP A 136 8.299 -1.267 -9.455 1.00 0.01 N ATOM 2106 CA TRP A 136 9.179 -0.975 -8.272 1.00 0.01 C ATOM 2107 C TRP A 136 8.595 0.250 -7.564 1.00 0.01 C ATOM 2108 O TRP A 136 8.011 1.102 -8.205 1.00 0.00 O ATOM 2109 CB TRP A 136 10.619 -0.695 -8.743 1.00 0.01 C ATOM 2110 CG TRP A 136 11.381 -1.983 -8.820 1.00 0.01 C ATOM 2111 CD1 TRP A 136 11.122 -2.987 -9.687 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.510 -2.422 -8.008 1.00 0.01 C ATOM 2113 NE1 TRP A 136 12.023 -4.013 -9.465 1.00 0.00 N ATOM 2114 CE2 TRP A 136 12.898 -3.714 -8.440 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.230 -1.833 -6.953 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 13.960 -4.394 -7.845 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.299 -2.517 -6.353 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.664 -3.794 -6.798 1.00 0.01 C ATOM 0 H TRP A 136 8.140 -0.470 -10.071 1.00 0.01 H new ATOM 0 HA TRP A 136 9.214 -1.826 -7.591 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.605 -0.210 -9.719 1.00 0.01 H new ATOM 0 HB3 TRP A 136 11.112 -0.010 -8.053 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.340 -2.988 -10.431 1.00 0.01 H new ATOM 0 HE1 TRP A 136 12.039 -4.885 -9.994 1.00 0.00 H new ATOM 0 HE3 TRP A 136 12.959 -0.848 -6.602 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.237 -5.379 -8.191 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 14.844 -2.055 -5.543 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.488 -4.314 -6.333 1.00 0.01 H new ATOM 2129 N ILE A 137 8.742 0.377 -6.259 1.00 0.01 N ATOM 2130 CA ILE A 137 8.179 1.576 -5.554 1.00 0.00 C ATOM 2131 C ILE A 137 9.280 2.314 -4.790 1.00 0.01 C ATOM 2132 O ILE A 137 10.121 1.721 -4.144 1.00 0.01 O ATOM 2133 CB ILE A 137 7.113 1.125 -4.552 1.00 0.60 C ATOM 2134 CG1 ILE A 137 5.999 0.379 -5.293 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.525 2.355 -3.854 1.00 1.37 C ATOM 2136 CD1 ILE A 137 5.040 -0.267 -4.286 1.00 1.69 C ATOM 0 H ILE A 137 9.224 -0.293 -5.659 1.00 0.01 H new ATOM 0 HA ILE A 137 7.745 2.242 -6.299 1.00 0.00 H new ATOM 0 HB ILE A 137 7.563 0.463 -3.812 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.453 1.069 -5.936 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.430 -0.386 -5.939 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.765 2.039 -3.139 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.317 2.889 -3.329 1.00 1.37 H new ATOM 0 HG23 ILE A 137 6.074 3.013 -4.596 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.251 -0.795 -4.822 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.589 -0.972 -3.661 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.597 0.506 -3.658 1.00 1.69 H new ATOM 2148 N PHE A 138 9.243 3.617 -4.848 1.00 0.01 N ATOM 2149 CA PHE A 138 10.235 4.466 -4.118 1.00 0.01 C ATOM 2150 C PHE A 138 9.460 5.261 -3.064 1.00 0.01 C ATOM 2151 O PHE A 138 8.336 5.653 -3.298 1.00 0.00 O ATOM 2152 CB PHE A 138 10.921 5.409 -5.105 1.00 1.11 C ATOM 2153 CG PHE A 138 11.791 4.592 -6.038 1.00 1.11 C ATOM 2154 CD1 PHE A 138 11.247 4.037 -7.202 1.00 1.46 C ATOM 2155 CD2 PHE A 138 13.143 4.382 -5.734 1.00 1.54 C ATOM 2156 CE1 PHE A 138 12.052 3.275 -8.059 1.00 2.01 C ATOM 2157 CE2 PHE A 138 13.947 3.623 -6.592 1.00 2.35 C ATOM 2158 CZ PHE A 138 13.401 3.069 -7.754 1.00 2.49 C ATOM 0 H PHE A 138 8.552 4.143 -5.382 1.00 0.01 H new ATOM 0 HA PHE A 138 11.004 3.858 -3.642 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.177 5.966 -5.674 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.526 6.141 -4.569 1.00 1.11 H new ATOM 0 HD1 PHE A 138 10.206 4.196 -7.440 1.00 1.46 H new ATOM 0 HD2 PHE A 138 13.565 4.807 -4.835 1.00 1.54 H new ATOM 0 HE1 PHE A 138 11.630 2.846 -8.956 1.00 2.01 H new ATOM 0 HE2 PHE A 138 14.989 3.465 -6.357 1.00 2.35 H new ATOM 0 HZ PHE A 138 14.021 2.482 -8.416 1.00 2.49 H new ATOM 2168 N TYR A 139 10.040 5.506 -1.907 1.00 0.01 N ATOM 2169 CA TYR A 139 9.324 6.280 -0.835 1.00 0.01 C ATOM 2170 C TYR A 139 10.158 7.507 -0.441 1.00 0.01 C ATOM 2171 O TYR A 139 11.376 7.485 -0.486 1.00 0.01 O ATOM 2172 CB TYR A 139 9.115 5.388 0.393 1.00 0.01 C ATOM 2173 CG TYR A 139 8.444 4.098 -0.020 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.170 3.126 -0.719 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.101 3.868 0.304 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.554 1.927 -1.097 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.484 2.670 -0.074 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.211 1.700 -0.774 1.00 0.02 C ATOM 2179 OH TYR A 139 6.603 0.518 -1.146 1.00 0.00 O ATOM 0 H TYR A 139 10.981 5.202 -1.659 1.00 0.01 H new ATOM 0 HA TYR A 139 8.355 6.606 -1.214 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.073 5.175 0.866 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.503 5.907 1.131 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.206 3.301 -0.967 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.541 4.616 0.846 1.00 0.01 H new ATOM 0 HE1 TYR A 139 9.114 1.178 -1.637 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.448 2.494 0.174 1.00 0.02 H new ATOM 0 HH TYR A 139 5.671 0.520 -0.844 1.00 0.00 H new ATOM 2189 N GLU A 140 9.504 8.596 -0.116 1.00 0.01 N ATOM 2190 CA GLU A 140 10.229 9.862 0.209 1.00 0.02 C ATOM 2191 C GLU A 140 10.862 9.826 1.604 1.00 0.01 C ATOM 2192 O GLU A 140 11.872 10.464 1.826 1.00 0.01 O ATOM 2193 CB GLU A 140 9.211 11.000 0.162 1.00 0.01 C ATOM 2194 CG GLU A 140 9.942 12.343 0.252 1.00 0.02 C ATOM 2195 CD GLU A 140 8.924 13.481 0.162 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.256 13.730 1.151 1.00 0.01 O ATOM 2197 OE2 GLU A 140 8.830 14.085 -0.894 1.00 0.02 O ATOM 0 H GLU A 140 8.488 8.661 -0.062 1.00 0.01 H new ATOM 0 HA GLU A 140 11.034 9.999 -0.513 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.635 10.949 -0.762 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.503 10.903 0.985 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.494 12.407 1.190 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.671 12.428 -0.554 1.00 0.02 H new ATOM 2204 N LEU A 141 10.296 9.115 2.556 1.00 0.01 N ATOM 2205 CA LEU A 141 10.899 9.084 3.936 1.00 0.02 C ATOM 2206 C LEU A 141 11.384 7.654 4.246 1.00 0.01 C ATOM 2207 O LEU A 141 10.879 6.697 3.687 1.00 0.01 O ATOM 2208 CB LEU A 141 9.812 9.497 4.950 1.00 0.57 C ATOM 2209 CG LEU A 141 9.731 11.035 5.051 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.354 11.446 5.575 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.806 11.571 6.008 1.00 1.24 C ATOM 0 H LEU A 141 9.449 8.558 2.440 1.00 0.01 H new ATOM 0 HA LEU A 141 11.745 9.769 3.998 1.00 0.02 H new ATOM 0 HB2 LEU A 141 8.847 9.095 4.643 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.038 9.073 5.928 1.00 0.57 H new ATOM 0 HG LEU A 141 9.894 11.453 4.058 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.301 12.532 5.645 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.583 11.088 4.892 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.195 11.011 6.562 1.00 1.48 H new ATOM 0 HD21 LEU A 141 10.733 12.657 6.066 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.656 11.144 7.000 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.793 11.293 5.639 1.00 1.24 H new ATOM 2223 N PRO A 142 12.356 7.498 5.136 1.00 0.01 N ATOM 2224 CA PRO A 142 12.876 6.144 5.482 1.00 0.01 C ATOM 2225 C PRO A 142 11.768 5.188 5.940 1.00 0.01 C ATOM 2226 O PRO A 142 10.668 5.579 6.276 1.00 0.01 O ATOM 2227 CB PRO A 142 13.877 6.435 6.623 1.00 0.01 C ATOM 2228 CG PRO A 142 13.817 7.941 6.948 1.00 0.02 C ATOM 2229 CD PRO A 142 13.007 8.641 5.844 1.00 0.01 C ATOM 0 HA PRO A 142 13.326 5.641 4.626 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.628 5.846 7.506 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.886 6.151 6.324 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.351 8.101 7.920 1.00 0.02 H new ATOM 0 HG3 PRO A 142 14.823 8.358 7.004 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.272 9.332 6.258 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.647 9.218 5.177 1.00 0.01 H new ATOM 2237 N ASN A 143 12.102 3.928 5.972 1.00 0.01 N ATOM 2238 CA ASN A 143 11.141 2.883 6.424 1.00 0.01 C ATOM 2239 C ASN A 143 9.888 2.855 5.544 1.00 0.01 C ATOM 2240 O ASN A 143 8.811 2.507 5.985 1.00 0.01 O ATOM 2241 CB ASN A 143 10.736 3.165 7.873 1.00 0.23 C ATOM 2242 CG ASN A 143 11.973 3.555 8.681 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.087 3.297 8.270 1.00 0.75 O ATOM 2244 ND2 ASN A 143 11.822 4.172 9.821 1.00 0.56 N ATOM 0 H ASN A 143 13.018 3.572 5.699 1.00 0.01 H new ATOM 0 HA ASN A 143 11.631 1.912 6.347 1.00 0.01 H new ATOM 0 HB2 ASN A 143 9.999 3.967 7.906 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.267 2.283 8.309 1.00 0.23 H new ATOM 0 HD21 ASN A 143 12.640 4.439 10.369 1.00 0.56 H new ATOM 0 HD22 ASN A 143 10.886 4.388 10.164 1.00 0.56 H new ATOM 2251 N TYR A 144 10.035 3.183 4.286 1.00 0.01 N ATOM 2252 CA TYR A 144 8.877 3.141 3.345 1.00 0.02 C ATOM 2253 C TYR A 144 7.732 4.036 3.835 1.00 0.01 C ATOM 2254 O TYR A 144 6.599 3.606 3.929 1.00 0.01 O ATOM 2255 CB TYR A 144 8.388 1.690 3.222 1.00 0.01 C ATOM 2256 CG TYR A 144 9.583 0.761 3.290 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.604 0.872 2.338 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.677 -0.196 4.308 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.718 0.024 2.402 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.792 -1.043 4.374 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.812 -0.933 3.420 1.00 0.01 C ATOM 2262 OH TYR A 144 12.911 -1.765 3.484 1.00 0.01 O ATOM 0 H TYR A 144 10.916 3.481 3.867 1.00 0.01 H new ATOM 0 HA TYR A 144 9.200 3.513 2.373 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.686 1.460 4.023 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.855 1.550 2.281 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.533 1.611 1.554 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.890 -0.282 5.043 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.504 0.109 1.666 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.865 -1.780 5.160 1.00 0.01 H new ATOM 0 HH TYR A 144 12.820 -2.369 4.250 1.00 0.01 H new ATOM 2272 N ARG A 145 8.022 5.278 4.140 1.00 0.02 N ATOM 2273 CA ARG A 145 6.951 6.219 4.620 1.00 0.01 C ATOM 2274 C ARG A 145 6.945 7.484 3.757 1.00 0.01 C ATOM 2275 O ARG A 145 7.874 7.748 3.019 1.00 0.01 O ATOM 2276 CB ARG A 145 7.235 6.614 6.071 1.00 0.01 C ATOM 2277 CG ARG A 145 6.984 5.416 6.986 1.00 0.02 C ATOM 2278 CD ARG A 145 7.214 5.831 8.440 1.00 0.01 C ATOM 2279 NE ARG A 145 8.670 6.038 8.676 1.00 0.01 N ATOM 2280 CZ ARG A 145 9.075 6.680 9.738 1.00 0.01 C ATOM 2281 NH1 ARG A 145 8.202 7.152 10.587 1.00 0.02 N ATOM 2282 NH2 ARG A 145 10.350 6.854 9.949 1.00 0.01 N ATOM 0 H ARG A 145 8.955 5.685 4.078 1.00 0.02 H new ATOM 0 HA ARG A 145 5.983 5.722 4.549 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.267 6.952 6.172 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.597 7.448 6.363 1.00 0.01 H new ATOM 0 HG2 ARG A 145 5.964 5.053 6.857 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.651 4.596 6.721 1.00 0.02 H new ATOM 0 HD2 ARG A 145 6.666 6.748 8.658 1.00 0.01 H new ATOM 0 HD3 ARG A 145 6.832 5.063 9.113 1.00 0.01 H new ATOM 0 HE ARG A 145 9.351 5.678 8.007 1.00 0.01 H new ATOM 0 HH11 ARG A 145 7.205 7.019 10.420 1.00 0.02 H new ATOM 0 HH12 ARG A 145 8.518 7.654 11.417 1.00 0.02 H new ATOM 0 HH21 ARG A 145 11.032 6.488 9.284 1.00 0.01 H new ATOM 0 HH22 ARG A 145 10.666 7.356 10.779 1.00 0.01 H new ATOM 2296 N GLY A 146 5.893 8.266 3.828 1.00 0.01 N ATOM 2297 CA GLY A 146 5.814 9.514 3.010 1.00 0.02 C ATOM 2298 C GLY A 146 5.183 9.220 1.647 1.00 0.01 C ATOM 2299 O GLY A 146 4.588 8.184 1.430 1.00 0.02 O ATOM 0 H GLY A 146 5.082 8.090 4.422 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.224 10.265 3.536 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.812 9.931 2.874 1.00 0.02 H new ATOM 2303 N ARG A 147 5.312 10.141 0.729 1.00 0.01 N ATOM 2304 CA ARG A 147 4.726 9.946 -0.629 1.00 0.01 C ATOM 2305 C ARG A 147 5.497 8.843 -1.351 1.00 0.01 C ATOM 2306 O ARG A 147 6.694 8.693 -1.196 1.00 0.01 O ATOM 2307 CB ARG A 147 4.844 11.253 -1.416 1.00 0.01 C ATOM 2308 CG ARG A 147 4.056 11.135 -2.721 1.00 0.01 C ATOM 2309 CD ARG A 147 4.016 12.497 -3.416 1.00 0.01 C ATOM 2310 NE ARG A 147 3.224 12.390 -4.675 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.803 13.470 -5.274 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.074 14.642 -4.770 1.00 0.01 N ATOM 2313 NH2 ARG A 147 2.109 13.378 -6.375 1.00 0.02 N ATOM 0 H ARG A 147 5.802 11.026 0.863 1.00 0.01 H new ATOM 0 HA ARG A 147 3.677 9.663 -0.546 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.462 12.083 -0.822 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.891 11.468 -1.629 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.520 10.395 -3.373 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.043 10.789 -2.517 1.00 0.01 H new ATOM 0 HD2 ARG A 147 3.571 13.241 -2.756 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.029 12.834 -3.638 1.00 0.01 H new ATOM 0 HE ARG A 147 3.011 11.473 -5.068 1.00 0.02 H new ATOM 0 HH11 ARG A 147 3.615 14.714 -3.908 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.745 15.487 -5.238 1.00 0.01 H new ATOM 0 HH21 ARG A 147 1.895 12.461 -6.768 1.00 0.02 H new ATOM 0 HH22 ARG A 147 1.780 14.223 -6.843 1.00 0.02 H new ATOM 2327 N GLN A 148 4.792 8.041 -2.112 1.00 0.01 N ATOM 2328 CA GLN A 148 5.430 6.896 -2.834 1.00 0.01 C ATOM 2329 C GLN A 148 5.335 7.117 -4.349 1.00 0.01 C ATOM 2330 O GLN A 148 4.397 7.706 -4.844 1.00 0.01 O ATOM 2331 CB GLN A 148 4.653 5.623 -2.459 1.00 0.00 C ATOM 2332 CG GLN A 148 4.239 5.691 -0.986 1.00 0.02 C ATOM 2333 CD GLN A 148 3.729 4.320 -0.537 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.393 3.434 -1.435 1.00 0.02 O flip ATOM 2335 NE2 GLN A 148 3.634 4.051 0.645 1.00 0.01 N flip ATOM 0 H GLN A 148 3.788 8.133 -2.265 1.00 0.01 H new ATOM 0 HA GLN A 148 6.481 6.810 -2.558 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.771 5.523 -3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.271 4.742 -2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.087 5.995 -0.372 1.00 0.02 H new ATOM 0 HG3 GLN A 148 3.462 6.443 -0.850 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.896 4.742 1.348 1.00 0.01 H new ATOM 0 HE22 GLN A 148 3.292 3.134 0.934 1.00 0.01 H new ATOM 2344 N TYR A 149 6.302 6.627 -5.085 1.00 0.01 N ATOM 2345 CA TYR A 149 6.294 6.773 -6.576 1.00 0.01 C ATOM 2346 C TYR A 149 6.403 5.386 -7.215 1.00 0.01 C ATOM 2347 O TYR A 149 7.216 4.583 -6.801 1.00 0.01 O ATOM 2348 CB TYR A 149 7.480 7.635 -7.014 1.00 0.01 C ATOM 2349 CG TYR A 149 7.216 9.078 -6.652 1.00 0.01 C ATOM 2350 CD1 TYR A 149 6.448 9.886 -7.500 1.00 0.01 C ATOM 2351 CD2 TYR A 149 7.738 9.610 -5.467 1.00 0.01 C ATOM 2352 CE1 TYR A 149 6.202 11.221 -7.164 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.493 10.946 -5.131 1.00 0.01 C ATOM 2354 CZ TYR A 149 6.726 11.752 -5.979 1.00 0.01 C ATOM 2355 OH TYR A 149 6.484 13.070 -5.648 1.00 0.01 O ATOM 0 H TYR A 149 7.108 6.125 -4.712 1.00 0.01 H new ATOM 0 HA TYR A 149 5.368 7.252 -6.893 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.393 7.289 -6.530 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.634 7.541 -8.089 1.00 0.01 H new ATOM 0 HD1 TYR A 149 6.045 9.477 -8.415 1.00 0.01 H new ATOM 0 HD2 TYR A 149 8.330 8.989 -4.812 1.00 0.01 H new ATOM 0 HE1 TYR A 149 5.608 11.842 -7.818 1.00 0.01 H new ATOM 0 HE2 TYR A 149 7.896 11.355 -4.216 1.00 0.01 H new ATOM 0 HH TYR A 149 6.918 13.278 -4.794 1.00 0.01 H new ATOM 2365 N LEU A 150 5.605 5.085 -8.211 1.00 0.01 N ATOM 2366 CA LEU A 150 5.682 3.733 -8.855 1.00 0.01 C ATOM 2367 C LEU A 150 6.516 3.847 -10.136 1.00 0.01 C ATOM 2368 O LEU A 150 6.167 4.575 -11.045 1.00 0.01 O ATOM 2369 CB LEU A 150 4.253 3.268 -9.184 1.00 0.01 C ATOM 2370 CG LEU A 150 4.198 1.735 -9.285 1.00 0.01 C ATOM 2371 CD1 LEU A 150 2.740 1.289 -9.430 1.00 0.01 C ATOM 2372 CD2 LEU A 150 5.000 1.264 -10.506 1.00 0.01 C ATOM 0 H LEU A 150 4.906 5.714 -8.606 1.00 0.01 H new ATOM 0 HA LEU A 150 6.151 3.009 -8.189 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.565 3.613 -8.412 1.00 0.01 H new ATOM 0 HB3 LEU A 150 3.926 3.713 -10.124 1.00 0.01 H new ATOM 0 HG LEU A 150 4.628 1.299 -8.384 1.00 0.01 H new ATOM 0 HD11 LEU A 150 2.697 0.202 -9.502 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.171 1.618 -8.561 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.313 1.729 -10.331 1.00 0.01 H new ATOM 0 HD21 LEU A 150 4.957 0.177 -10.572 1.00 0.01 H new ATOM 0 HD22 LEU A 150 4.575 1.700 -11.410 1.00 0.01 H new ATOM 0 HD23 LEU A 150 6.038 1.581 -10.404 1.00 0.01 H new ATOM 2384 N LEU A 151 7.604 3.121 -10.225 1.00 0.01 N ATOM 2385 CA LEU A 151 8.452 3.168 -11.458 1.00 0.01 C ATOM 2386 C LEU A 151 8.192 1.911 -12.294 1.00 0.01 C ATOM 2387 O LEU A 151 7.869 0.861 -11.766 1.00 0.01 O ATOM 2388 CB LEU A 151 9.932 3.229 -11.064 1.00 0.01 C ATOM 2389 CG LEU A 151 10.781 3.688 -12.271 1.00 0.01 C ATOM 2390 CD1 LEU A 151 10.824 5.221 -12.340 1.00 0.01 C ATOM 2391 CD2 LEU A 151 12.211 3.154 -12.131 1.00 0.01 C ATOM 0 H LEU A 151 7.943 2.495 -9.494 1.00 0.01 H new ATOM 0 HA LEU A 151 8.202 4.054 -12.041 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.067 3.918 -10.231 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.267 2.249 -10.725 1.00 0.01 H new ATOM 0 HG LEU A 151 10.328 3.299 -13.183 1.00 0.01 H new ATOM 0 HD11 LEU A 151 11.425 5.530 -13.195 1.00 0.01 H new ATOM 0 HD12 LEU A 151 9.811 5.609 -12.450 1.00 0.01 H new ATOM 0 HD13 LEU A 151 11.266 5.614 -11.424 1.00 0.01 H new ATOM 0 HD21 LEU A 151 12.806 3.480 -12.984 1.00 0.01 H new ATOM 0 HD22 LEU A 151 12.654 3.537 -11.212 1.00 0.01 H new ATOM 0 HD23 LEU A 151 12.191 2.065 -12.098 1.00 0.01 H new ATOM 2403 N ASP A 152 8.343 2.005 -13.593 1.00 0.01 N ATOM 2404 CA ASP A 152 8.111 0.819 -14.478 1.00 0.01 C ATOM 2405 C ASP A 152 9.456 0.255 -14.941 1.00 0.00 C ATOM 2406 O ASP A 152 10.200 -0.310 -14.165 1.00 0.01 O ATOM 2407 CB ASP A 152 7.298 1.258 -15.698 1.00 1.04 C ATOM 2408 CG ASP A 152 5.908 1.708 -15.250 1.00 1.54 C ATOM 2409 OD1 ASP A 152 5.081 0.845 -14.997 1.00 1.57 O ATOM 2410 OD2 ASP A 152 5.692 2.906 -15.170 1.00 2.27 O ATOM 0 H ASP A 152 8.619 2.857 -14.081 1.00 0.01 H new ATOM 0 HA ASP A 152 7.567 0.051 -13.928 1.00 0.01 H new ATOM 0 HB2 ASP A 152 7.807 2.073 -16.213 1.00 1.04 H new ATOM 0 HB3 ASP A 152 7.214 0.435 -16.408 1.00 1.04 H new ATOM 2415 N LYS A 153 9.775 0.398 -16.198 1.00 0.01 N ATOM 2416 CA LYS A 153 11.073 -0.136 -16.704 1.00 0.01 C ATOM 2417 C LYS A 153 11.483 0.622 -17.969 1.00 0.01 C ATOM 2418 O LYS A 153 11.783 0.029 -18.987 1.00 0.01 O ATOM 2419 CB LYS A 153 10.920 -1.624 -17.031 1.00 0.38 C ATOM 2420 CG LYS A 153 9.632 -1.841 -17.828 1.00 0.71 C ATOM 2421 CD LYS A 153 9.506 -3.318 -18.203 1.00 0.72 C ATOM 2422 CE LYS A 153 8.159 -3.557 -18.889 1.00 1.09 C ATOM 2423 NZ LYS A 153 7.053 -3.187 -17.959 1.00 1.84 N ATOM 0 H LYS A 153 9.194 0.861 -16.897 1.00 0.01 H new ATOM 0 HA LYS A 153 11.839 -0.007 -15.939 1.00 0.01 H new ATOM 0 HB2 LYS A 153 11.779 -1.971 -17.606 1.00 0.38 H new ATOM 0 HB3 LYS A 153 10.894 -2.209 -16.111 1.00 0.38 H new ATOM 0 HG2 LYS A 153 8.770 -1.530 -17.238 1.00 0.71 H new ATOM 0 HG3 LYS A 153 9.641 -1.226 -18.728 1.00 0.71 H new ATOM 0 HD2 LYS A 153 10.321 -3.606 -18.867 1.00 0.72 H new ATOM 0 HD3 LYS A 153 9.587 -3.939 -17.311 1.00 0.72 H new ATOM 0 HE2 LYS A 153 8.094 -2.965 -19.802 1.00 1.09 H new ATOM 0 HE3 LYS A 153 8.068 -4.603 -19.181 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 6.169 -3.635 -18.275 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 7.283 -3.514 -16.999 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 6.935 -2.154 -17.953 1.00 1.84 H new ATOM 2437 N LYS A 154 11.496 1.931 -17.908 1.00 0.00 N ATOM 2438 CA LYS A 154 11.885 2.753 -19.098 1.00 0.01 C ATOM 2439 C LYS A 154 13.208 3.465 -18.809 1.00 0.01 C ATOM 2440 O LYS A 154 13.930 3.108 -17.898 1.00 0.00 O ATOM 2441 CB LYS A 154 10.796 3.795 -19.366 1.00 0.39 C ATOM 2442 CG LYS A 154 9.452 3.091 -19.565 1.00 0.48 C ATOM 2443 CD LYS A 154 8.336 4.133 -19.676 1.00 0.97 C ATOM 2444 CE LYS A 154 6.981 3.425 -19.729 1.00 1.44 C ATOM 2445 NZ LYS A 154 5.887 4.436 -19.650 1.00 2.28 N ATOM 0 H LYS A 154 11.252 2.471 -17.078 1.00 0.00 H new ATOM 0 HA LYS A 154 12.000 2.109 -19.970 1.00 0.01 H new ATOM 0 HB2 LYS A 154 10.733 4.493 -18.531 1.00 0.39 H new ATOM 0 HB3 LYS A 154 11.047 4.379 -20.251 1.00 0.39 H new ATOM 0 HG2 LYS A 154 9.481 2.478 -20.466 1.00 0.48 H new ATOM 0 HG3 LYS A 154 9.255 2.420 -18.729 1.00 0.48 H new ATOM 0 HD2 LYS A 154 8.371 4.811 -18.823 1.00 0.97 H new ATOM 0 HD3 LYS A 154 8.477 4.739 -20.571 1.00 0.97 H new ATOM 0 HE2 LYS A 154 6.894 2.851 -20.652 1.00 1.44 H new ATOM 0 HE3 LYS A 154 6.896 2.717 -18.905 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 4.966 3.954 -19.686 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 5.967 4.965 -18.758 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 5.965 5.095 -20.451 1.00 2.28 H new ATOM 2459 N GLU A 155 13.528 4.475 -19.579 1.00 0.01 N ATOM 2460 CA GLU A 155 14.804 5.230 -19.364 1.00 0.01 C ATOM 2461 C GLU A 155 14.481 6.592 -18.744 1.00 0.01 C ATOM 2462 O GLU A 155 14.014 7.494 -19.411 1.00 0.01 O ATOM 2463 CB GLU A 155 15.509 5.426 -20.714 1.00 0.01 C ATOM 2464 CG GLU A 155 14.464 5.666 -21.808 1.00 0.01 C ATOM 2465 CD GLU A 155 15.151 6.220 -23.057 1.00 0.01 C ATOM 2466 OE1 GLU A 155 16.341 5.998 -23.202 1.00 0.01 O ATOM 2467 OE2 GLU A 155 14.474 6.857 -23.848 1.00 0.01 O ATOM 0 H GLU A 155 12.956 4.812 -20.354 1.00 0.01 H new ATOM 0 HA GLU A 155 15.459 4.673 -18.694 1.00 0.01 H new ATOM 0 HB2 GLU A 155 16.194 6.272 -20.659 1.00 0.01 H new ATOM 0 HB3 GLU A 155 16.107 4.547 -20.955 1.00 0.01 H new ATOM 0 HG2 GLU A 155 13.950 4.735 -22.046 1.00 0.01 H new ATOM 0 HG3 GLU A 155 13.707 6.367 -21.455 1.00 0.01 H new ATOM 2474 N TYR A 156 14.726 6.748 -17.468 1.00 0.00 N ATOM 2475 CA TYR A 156 14.433 8.051 -16.794 1.00 0.01 C ATOM 2476 C TYR A 156 15.721 8.870 -16.683 1.00 0.01 C ATOM 2477 O TYR A 156 16.645 8.496 -15.988 1.00 0.01 O ATOM 2478 CB TYR A 156 13.865 7.772 -15.402 1.00 0.01 C ATOM 2479 CG TYR A 156 12.874 6.638 -15.486 1.00 0.00 C ATOM 2480 CD1 TYR A 156 13.314 5.314 -15.368 1.00 0.01 C ATOM 2481 CD2 TYR A 156 11.514 6.907 -15.682 1.00 0.01 C ATOM 2482 CE1 TYR A 156 12.395 4.261 -15.444 1.00 0.01 C ATOM 2483 CE2 TYR A 156 10.595 5.854 -15.758 1.00 0.01 C ATOM 2484 CZ TYR A 156 11.035 4.531 -15.639 1.00 0.01 C ATOM 2485 OH TYR A 156 10.128 3.493 -15.713 1.00 0.01 O ATOM 0 H TYR A 156 15.117 6.027 -16.861 1.00 0.00 H new ATOM 0 HA TYR A 156 13.705 8.617 -17.376 1.00 0.01 H new ATOM 0 HB2 TYR A 156 14.670 7.516 -14.713 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.380 8.666 -15.009 1.00 0.01 H new ATOM 0 HD1 TYR A 156 14.363 5.105 -15.218 1.00 0.01 H new ATOM 0 HD2 TYR A 156 11.174 7.928 -15.775 1.00 0.01 H new ATOM 0 HE1 TYR A 156 12.735 3.240 -15.352 1.00 0.01 H new ATOM 0 HE2 TYR A 156 9.546 6.063 -15.909 1.00 0.01 H new ATOM 0 HH TYR A 156 9.227 3.855 -15.849 1.00 0.01 H new ATOM 2495 N ARG A 157 15.807 9.966 -17.392 1.00 0.01 N ATOM 2496 CA ARG A 157 17.058 10.784 -17.359 1.00 0.01 C ATOM 2497 C ARG A 157 16.966 11.922 -16.338 1.00 0.00 C ATOM 2498 O ARG A 157 17.979 12.416 -15.885 1.00 0.01 O ATOM 2499 CB ARG A 157 17.300 11.380 -18.747 1.00 0.01 C ATOM 2500 CG ARG A 157 18.692 12.017 -18.792 1.00 0.01 C ATOM 2501 CD ARG A 157 18.965 12.547 -20.200 1.00 0.00 C ATOM 2502 NE ARG A 157 17.872 13.474 -20.603 1.00 0.01 N ATOM 2503 CZ ARG A 157 18.037 14.273 -21.623 1.00 0.01 C ATOM 2504 NH1 ARG A 157 19.160 14.260 -22.287 1.00 0.01 N ATOM 2505 NH2 ARG A 157 17.080 15.086 -21.975 1.00 0.01 N ATOM 0 H ARG A 157 15.067 10.330 -17.992 1.00 0.01 H new ATOM 0 HA ARG A 157 17.881 10.132 -17.066 1.00 0.01 H new ATOM 0 HB2 ARG A 157 17.219 10.603 -19.507 1.00 0.01 H new ATOM 0 HB3 ARG A 157 16.539 12.127 -18.972 1.00 0.01 H new ATOM 0 HG2 ARG A 157 18.756 12.829 -18.068 1.00 0.01 H new ATOM 0 HG3 ARG A 157 19.449 11.283 -18.515 1.00 0.01 H new ATOM 0 HD2 ARG A 157 19.924 13.065 -20.225 1.00 0.00 H new ATOM 0 HD3 ARG A 157 19.032 11.719 -20.905 1.00 0.00 H new ATOM 0 HE ARG A 157 16.995 13.485 -20.083 1.00 0.01 H new ATOM 0 HH11 ARG A 157 19.909 13.626 -22.010 1.00 0.01 H new ATOM 0 HH12 ARG A 157 19.289 14.884 -23.084 1.00 0.01 H new ATOM 0 HH21 ARG A 157 16.203 15.098 -21.454 1.00 0.01 H new ATOM 0 HH22 ARG A 157 17.208 15.710 -22.771 1.00 0.01 H new ATOM 2519 N LYS A 158 15.782 12.349 -15.957 1.00 0.01 N ATOM 2520 CA LYS A 158 15.658 13.458 -14.951 1.00 0.01 C ATOM 2521 C LYS A 158 14.722 13.002 -13.812 1.00 0.01 C ATOM 2522 O LYS A 158 13.857 12.178 -14.028 1.00 0.01 O ATOM 2523 CB LYS A 158 15.051 14.685 -15.651 1.00 0.58 C ATOM 2524 CG LYS A 158 16.144 15.439 -16.414 1.00 0.97 C ATOM 2525 CD LYS A 158 15.532 16.652 -17.115 1.00 1.44 C ATOM 2526 CE LYS A 158 16.612 17.377 -17.919 1.00 2.13 C ATOM 2527 NZ LYS A 158 17.117 16.478 -18.996 1.00 2.54 N ATOM 0 H LYS A 158 14.896 11.978 -16.299 1.00 0.01 H new ATOM 0 HA LYS A 158 16.636 13.709 -14.539 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.265 14.372 -16.338 1.00 0.58 H new ATOM 0 HB3 LYS A 158 14.588 15.343 -14.916 1.00 0.58 H new ATOM 0 HG2 LYS A 158 16.927 15.759 -15.727 1.00 0.97 H new ATOM 0 HG3 LYS A 158 16.612 14.780 -17.146 1.00 0.97 H new ATOM 0 HD2 LYS A 158 14.724 16.335 -17.775 1.00 1.44 H new ATOM 0 HD3 LYS A 158 15.096 17.328 -16.380 1.00 1.44 H new ATOM 0 HE2 LYS A 158 16.205 18.290 -18.354 1.00 2.13 H new ATOM 0 HE3 LYS A 158 17.431 17.673 -17.264 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 17.170 17.005 -19.891 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 18.064 16.130 -18.742 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 16.470 15.671 -19.107 1.00 2.54 H new ATOM 2541 N PRO A 159 14.852 13.545 -12.617 1.00 0.01 N ATOM 2542 CA PRO A 159 13.936 13.155 -11.504 1.00 0.02 C ATOM 2543 C PRO A 159 12.479 13.482 -11.866 1.00 0.01 C ATOM 2544 O PRO A 159 11.575 12.734 -11.552 1.00 0.01 O ATOM 2545 CB PRO A 159 14.447 14.015 -10.330 1.00 0.41 C ATOM 2546 CG PRO A 159 15.468 15.028 -10.888 1.00 0.70 C ATOM 2547 CD PRO A 159 15.892 14.561 -12.289 1.00 0.28 C ATOM 0 HA PRO A 159 13.940 12.089 -11.277 1.00 0.02 H new ATOM 0 HB2 PRO A 159 13.618 14.535 -9.850 1.00 0.41 H new ATOM 0 HB3 PRO A 159 14.911 13.386 -9.571 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.028 16.024 -10.937 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.335 15.095 -10.231 1.00 0.70 H new ATOM 0 HD2 PRO A 159 15.898 15.382 -13.006 1.00 0.28 H new ATOM 0 HD3 PRO A 159 16.894 14.131 -12.288 1.00 0.28 H new ATOM 2555 N VAL A 160 12.237 14.587 -12.514 1.00 0.01 N ATOM 2556 CA VAL A 160 10.835 14.937 -12.879 1.00 0.02 C ATOM 2557 C VAL A 160 10.274 13.848 -13.793 1.00 0.02 C ATOM 2558 O VAL A 160 9.076 13.702 -13.933 1.00 0.02 O ATOM 2559 CB VAL A 160 10.821 16.281 -13.609 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.374 16.706 -13.864 1.00 0.86 C ATOM 2561 CG2 VAL A 160 11.516 17.337 -12.747 1.00 0.74 C ATOM 0 H VAL A 160 12.945 15.261 -12.806 1.00 0.01 H new ATOM 0 HA VAL A 160 10.224 15.011 -11.980 1.00 0.02 H new ATOM 0 HB VAL A 160 11.346 16.184 -14.559 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.362 17.664 -14.384 1.00 0.86 H new ATOM 0 HG12 VAL A 160 8.877 15.954 -14.477 1.00 0.86 H new ATOM 0 HG13 VAL A 160 8.850 16.803 -12.913 1.00 0.86 H new ATOM 0 HG21 VAL A 160 11.506 18.295 -13.267 1.00 0.74 H new ATOM 0 HG22 VAL A 160 10.991 17.434 -11.797 1.00 0.74 H new ATOM 0 HG23 VAL A 160 12.547 17.035 -12.562 1.00 0.74 H new ATOM 2571 N ASP A 161 11.119 13.079 -14.415 1.00 0.00 N ATOM 2572 CA ASP A 161 10.604 12.008 -15.309 1.00 0.01 C ATOM 2573 C ASP A 161 9.838 10.963 -14.486 1.00 0.01 C ATOM 2574 O ASP A 161 9.084 10.173 -15.018 1.00 0.01 O ATOM 2575 CB ASP A 161 11.774 11.335 -16.027 1.00 0.00 C ATOM 2576 CG ASP A 161 11.247 10.503 -17.198 1.00 0.02 C ATOM 2577 OD1 ASP A 161 10.310 9.752 -16.992 1.00 0.00 O ATOM 2578 OD2 ASP A 161 11.789 10.634 -18.284 1.00 0.00 O ATOM 0 H ASP A 161 12.135 13.144 -14.345 1.00 0.00 H new ATOM 0 HA ASP A 161 9.930 12.449 -16.044 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.474 12.088 -16.389 1.00 0.00 H new ATOM 0 HB3 ASP A 161 12.322 10.698 -15.333 1.00 0.00 H new ATOM 2583 N TRP A 162 10.005 10.970 -13.182 1.00 0.01 N ATOM 2584 CA TRP A 162 9.262 9.993 -12.322 1.00 0.01 C ATOM 2585 C TRP A 162 8.023 10.679 -11.740 1.00 0.01 C ATOM 2586 O TRP A 162 7.361 10.141 -10.875 1.00 0.01 O ATOM 2587 CB TRP A 162 10.133 9.524 -11.151 1.00 0.01 C ATOM 2588 CG TRP A 162 11.424 8.952 -11.647 1.00 0.02 C ATOM 2589 CD1 TRP A 162 11.557 8.101 -12.692 1.00 0.01 C ATOM 2590 CD2 TRP A 162 12.766 9.167 -11.122 1.00 0.01 C ATOM 2591 NE1 TRP A 162 12.894 7.781 -12.840 1.00 0.01 N ATOM 2592 CE2 TRP A 162 13.679 8.416 -11.898 1.00 0.01 C ATOM 2593 CE3 TRP A 162 13.274 9.936 -10.059 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 15.048 8.425 -11.629 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 14.652 9.948 -9.786 1.00 0.01 C ATOM 2596 CH2 TRP A 162 15.537 9.194 -10.570 1.00 0.01 C ATOM 0 H TRP A 162 10.622 11.608 -12.679 1.00 0.01 H new ATOM 0 HA TRP A 162 8.987 9.136 -12.937 1.00 0.01 H new ATOM 0 HB2 TRP A 162 10.334 10.361 -10.483 1.00 0.01 H new ATOM 0 HB3 TRP A 162 9.597 8.774 -10.570 1.00 0.01 H new ATOM 0 HD1 TRP A 162 10.751 7.733 -13.309 1.00 0.01 H new ATOM 0 HE1 TRP A 162 13.256 7.153 -13.557 1.00 0.01 H new ATOM 0 HE3 TRP A 162 12.601 10.520 -9.449 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 15.725 7.842 -12.235 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 15.032 10.541 -8.968 1.00 0.01 H new ATOM 0 HH2 TRP A 162 16.595 9.208 -10.355 1.00 0.01 H new ATOM 2607 N GLY A 163 7.678 11.841 -12.220 1.00 0.02 N ATOM 2608 CA GLY A 163 6.455 12.522 -11.705 1.00 0.01 C ATOM 2609 C GLY A 163 6.736 13.217 -10.369 1.00 0.01 C ATOM 2610 O GLY A 163 5.830 13.651 -9.683 1.00 0.01 O ATOM 0 H GLY A 163 8.187 12.348 -12.944 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.108 13.254 -12.434 1.00 0.01 H new ATOM 0 HA3 GLY A 163 5.654 11.793 -11.579 1.00 0.01 H new ATOM 2614 N ALA A 164 7.981 13.303 -9.983 1.00 0.01 N ATOM 2615 CA ALA A 164 8.327 13.944 -8.676 1.00 0.02 C ATOM 2616 C ALA A 164 8.791 15.382 -8.904 1.00 0.01 C ATOM 2617 O ALA A 164 9.487 15.688 -9.852 1.00 0.02 O ATOM 2618 CB ALA A 164 9.480 13.165 -8.039 1.00 0.01 C ATOM 0 H ALA A 164 8.778 12.956 -10.517 1.00 0.01 H new ATOM 0 HA ALA A 164 7.448 13.940 -8.031 1.00 0.02 H new ATOM 0 HB1 ALA A 164 9.744 13.621 -7.085 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.174 12.132 -7.875 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.344 13.187 -8.703 1.00 0.01 H new ATOM 2624 N ALA A 165 8.405 16.266 -8.023 1.00 0.02 N ATOM 2625 CA ALA A 165 8.807 17.695 -8.155 1.00 0.01 C ATOM 2626 C ALA A 165 10.183 17.912 -7.517 1.00 0.02 C ATOM 2627 O ALA A 165 10.777 18.963 -7.663 1.00 0.01 O ATOM 2628 CB ALA A 165 7.786 18.587 -7.445 1.00 0.59 C ATOM 0 H ALA A 165 7.824 16.057 -7.211 1.00 0.02 H new ATOM 0 HA ALA A 165 8.849 17.951 -9.214 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.084 19.631 -7.544 1.00 0.59 H new ATOM 0 HB2 ALA A 165 6.804 18.446 -7.896 1.00 0.59 H new ATOM 0 HB3 ALA A 165 7.742 18.321 -6.389 1.00 0.59 H new ATOM 2634 N SER A 166 10.708 16.932 -6.820 1.00 0.01 N ATOM 2635 CA SER A 166 12.056 17.087 -6.186 1.00 0.01 C ATOM 2636 C SER A 166 12.805 15.740 -6.270 1.00 0.02 C ATOM 2637 O SER A 166 12.182 14.698 -6.255 1.00 0.01 O ATOM 2638 CB SER A 166 11.878 17.478 -4.717 1.00 0.72 C ATOM 2639 OG SER A 166 10.957 16.589 -4.101 1.00 0.87 O ATOM 0 H SER A 166 10.260 16.029 -6.663 1.00 0.01 H new ATOM 0 HA SER A 166 12.625 17.860 -6.703 1.00 0.01 H new ATOM 0 HB2 SER A 166 12.837 17.441 -4.200 1.00 0.72 H new ATOM 0 HB3 SER A 166 11.516 18.503 -4.643 1.00 0.72 H new ATOM 0 HG SER A 166 10.843 16.837 -3.160 1.00 0.87 H new ATOM 2645 N PRO A 167 14.125 15.735 -6.342 1.00 0.02 N ATOM 2646 CA PRO A 167 14.884 14.448 -6.409 1.00 0.01 C ATOM 2647 C PRO A 167 14.973 13.748 -5.040 1.00 0.01 C ATOM 2648 O PRO A 167 15.840 12.927 -4.819 1.00 0.01 O ATOM 2649 CB PRO A 167 16.272 14.930 -6.851 1.00 0.38 C ATOM 2650 CG PRO A 167 16.387 16.406 -6.447 1.00 0.35 C ATOM 2651 CD PRO A 167 14.961 16.976 -6.377 1.00 0.22 C ATOM 0 HA PRO A 167 14.420 13.714 -7.067 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.055 14.338 -6.376 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.395 14.815 -7.928 1.00 0.38 H new ATOM 0 HG2 PRO A 167 16.887 16.502 -5.483 1.00 0.35 H new ATOM 0 HG3 PRO A 167 16.985 16.957 -7.173 1.00 0.35 H new ATOM 0 HD2 PRO A 167 14.812 17.592 -5.490 1.00 0.22 H new ATOM 0 HD3 PRO A 167 14.729 17.599 -7.241 1.00 0.22 H new ATOM 2659 N ALA A 168 14.124 14.092 -4.110 1.00 0.01 N ATOM 2660 CA ALA A 168 14.227 13.460 -2.760 1.00 0.01 C ATOM 2661 C ALA A 168 13.546 12.088 -2.729 1.00 0.01 C ATOM 2662 O ALA A 168 12.373 11.939 -3.005 1.00 0.02 O ATOM 2663 CB ALA A 168 13.559 14.368 -1.728 1.00 0.18 C ATOM 0 H ALA A 168 13.373 14.773 -4.222 1.00 0.01 H new ATOM 0 HA ALA A 168 15.284 13.325 -2.529 1.00 0.01 H new ATOM 0 HB1 ALA A 168 13.631 13.912 -0.741 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.059 15.336 -1.717 1.00 0.18 H new ATOM 0 HB3 ALA A 168 12.509 14.505 -1.989 1.00 0.18 H new ATOM 2669 N ILE A 169 14.317 11.097 -2.361 1.00 0.01 N ATOM 2670 CA ILE A 169 13.819 9.692 -2.252 1.00 0.01 C ATOM 2671 C ILE A 169 14.677 8.998 -1.183 1.00 0.01 C ATOM 2672 O ILE A 169 15.890 9.056 -1.235 1.00 0.01 O ATOM 2673 CB ILE A 169 13.983 8.993 -3.612 1.00 1.81 C ATOM 2674 CG1 ILE A 169 12.925 9.495 -4.618 1.00 2.75 C ATOM 2675 CG2 ILE A 169 13.850 7.480 -3.451 1.00 2.24 C ATOM 2676 CD1 ILE A 169 11.489 9.218 -4.123 1.00 3.99 C ATOM 0 H ILE A 169 15.303 11.208 -2.124 1.00 0.01 H new ATOM 0 HA ILE A 169 12.765 9.656 -1.976 1.00 0.01 H new ATOM 0 HB ILE A 169 14.976 9.231 -3.994 1.00 1.81 H new ATOM 0 HG12 ILE A 169 13.054 10.565 -4.778 1.00 2.75 H new ATOM 0 HG13 ILE A 169 13.078 9.008 -5.581 1.00 2.75 H new ATOM 0 HG21 ILE A 169 13.968 6.999 -4.422 1.00 2.24 H new ATOM 0 HG22 ILE A 169 14.620 7.117 -2.770 1.00 2.24 H new ATOM 0 HG23 ILE A 169 12.866 7.242 -3.046 1.00 2.24 H new ATOM 0 HD11 ILE A 169 10.773 9.586 -4.858 1.00 3.99 H new ATOM 0 HD12 ILE A 169 11.351 8.145 -3.988 1.00 3.99 H new ATOM 0 HD13 ILE A 169 11.327 9.727 -3.173 1.00 3.99 H new ATOM 2688 N GLN A 170 14.067 8.387 -0.186 1.00 0.01 N ATOM 2689 CA GLN A 170 14.864 7.745 0.921 1.00 0.01 C ATOM 2690 C GLN A 170 14.734 6.213 0.969 1.00 0.02 C ATOM 2691 O GLN A 170 15.506 5.576 1.658 1.00 0.01 O ATOM 2692 CB GLN A 170 14.393 8.318 2.260 1.00 2.62 C ATOM 2693 CG GLN A 170 14.665 9.823 2.297 1.00 3.39 C ATOM 2694 CD GLN A 170 16.167 10.068 2.453 1.00 4.36 C ATOM 2695 OE1 GLN A 170 16.822 9.420 3.246 1.00 4.83 O ATOM 2696 NE2 GLN A 170 16.745 10.982 1.723 1.00 5.17 N ATOM 0 H GLN A 170 13.055 8.305 -0.091 1.00 0.01 H new ATOM 0 HA GLN A 170 15.913 7.968 0.725 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.328 8.127 2.395 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.912 7.824 3.081 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.303 10.291 1.382 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.123 10.281 3.125 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.196 11.526 1.058 1.00 5.17 H new ATOM 0 HE22 GLN A 170 17.746 11.153 1.818 1.00 5.17 H new ATOM 2705 N SER A 171 13.811 5.575 0.286 1.00 0.01 N ATOM 2706 CA SER A 171 13.760 4.077 0.400 1.00 0.01 C ATOM 2707 C SER A 171 13.056 3.472 -0.817 1.00 0.01 C ATOM 2708 O SER A 171 12.327 4.139 -1.522 1.00 0.01 O ATOM 2709 CB SER A 171 12.994 3.693 1.663 1.00 0.01 C ATOM 2710 OG SER A 171 13.588 4.332 2.782 1.00 0.02 O ATOM 0 H SER A 171 13.115 6.004 -0.324 1.00 0.01 H new ATOM 0 HA SER A 171 14.779 3.693 0.448 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.949 3.989 1.573 1.00 0.01 H new ATOM 0 HB3 SER A 171 13.009 2.611 1.797 1.00 0.01 H new ATOM 0 HG SER A 171 13.906 3.655 3.415 1.00 0.02 H new ATOM 2716 N PHE A 172 13.246 2.193 -1.056 1.00 0.01 N ATOM 2717 CA PHE A 172 12.554 1.546 -2.214 1.00 0.01 C ATOM 2718 C PHE A 172 12.342 0.053 -1.951 1.00 0.01 C ATOM 2719 O PHE A 172 13.054 -0.567 -1.178 1.00 0.01 O ATOM 2720 CB PHE A 172 13.352 1.759 -3.507 1.00 1.06 C ATOM 2721 CG PHE A 172 14.716 1.106 -3.440 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.844 -0.283 -3.582 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.860 1.898 -3.272 1.00 1.29 C ATOM 2724 CE1 PHE A 172 16.114 -0.875 -3.548 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.128 1.305 -3.246 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.253 -0.081 -3.383 1.00 1.92 C ATOM 0 H PHE A 172 13.844 1.577 -0.505 1.00 0.01 H new ATOM 0 HA PHE A 172 11.577 2.014 -2.333 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.794 1.350 -4.350 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.469 2.827 -3.690 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.965 -0.896 -3.717 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.763 2.968 -3.162 1.00 1.29 H new ATOM 0 HE1 PHE A 172 16.213 -1.946 -3.649 1.00 1.16 H new ATOM 0 HE2 PHE A 172 18.009 1.917 -3.120 1.00 2.02 H new ATOM 0 HZ PHE A 172 18.231 -0.539 -3.361 1.00 1.92 H new ATOM 2736 N ARG A 173 11.337 -0.523 -2.569 1.00 0.01 N ATOM 2737 CA ARG A 173 11.034 -1.972 -2.348 1.00 0.01 C ATOM 2738 C ARG A 173 10.509 -2.606 -3.639 1.00 0.01 C ATOM 2739 O ARG A 173 9.870 -1.965 -4.455 1.00 0.01 O ATOM 2740 CB ARG A 173 9.943 -2.107 -1.284 1.00 0.01 C ATOM 2741 CG ARG A 173 10.472 -1.673 0.082 1.00 0.01 C ATOM 2742 CD ARG A 173 9.467 -2.089 1.162 1.00 0.01 C ATOM 2743 NE ARG A 173 9.581 -3.554 1.409 1.00 0.01 N ATOM 2744 CZ ARG A 173 9.041 -4.079 2.473 1.00 0.01 C ATOM 2745 NH1 ARG A 173 8.401 -3.322 3.321 1.00 0.01 N ATOM 2746 NH2 ARG A 173 9.140 -5.363 2.691 1.00 0.01 N ATOM 0 H ARG A 173 10.711 -0.048 -3.220 1.00 0.01 H new ATOM 0 HA ARG A 173 11.950 -2.472 -2.031 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.082 -1.497 -1.558 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.599 -3.140 -1.236 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.442 -2.132 0.273 1.00 0.01 H new ATOM 0 HG3 ARG A 173 10.621 -0.593 0.102 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.658 -1.538 2.083 1.00 0.01 H new ATOM 0 HD3 ARG A 173 8.454 -1.840 0.846 1.00 0.01 H new ATOM 0 HE ARG A 173 10.081 -4.146 0.746 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.323 -2.319 3.152 1.00 0.01 H new ATOM 0 HH12 ARG A 173 7.978 -3.733 4.153 1.00 0.01 H new ATOM 0 HH21 ARG A 173 9.640 -5.956 2.028 1.00 0.01 H new ATOM 0 HH22 ARG A 173 8.717 -5.773 3.524 1.00 0.01 H new ATOM 2760 N ARG A 174 10.756 -3.876 -3.812 1.00 0.01 N ATOM 2761 CA ARG A 174 10.263 -4.589 -5.024 1.00 0.01 C ATOM 2762 C ARG A 174 8.849 -5.118 -4.757 1.00 0.01 C ATOM 2763 O ARG A 174 8.534 -5.549 -3.665 1.00 0.01 O ATOM 2764 CB ARG A 174 11.189 -5.767 -5.341 1.00 0.01 C ATOM 2765 CG ARG A 174 11.233 -6.717 -4.143 1.00 0.01 C ATOM 2766 CD ARG A 174 12.292 -7.796 -4.384 1.00 0.01 C ATOM 2767 NE ARG A 174 12.159 -8.861 -3.349 1.00 0.01 N ATOM 2768 CZ ARG A 174 12.751 -10.011 -3.517 1.00 0.01 C ATOM 2769 NH1 ARG A 174 13.460 -10.229 -4.590 1.00 0.01 N ATOM 2770 NH2 ARG A 174 12.635 -10.942 -2.610 1.00 0.01 N ATOM 0 H ARG A 174 11.283 -4.455 -3.159 1.00 0.01 H new ATOM 0 HA ARG A 174 10.249 -3.901 -5.869 1.00 0.01 H new ATOM 0 HB2 ARG A 174 10.833 -6.296 -6.225 1.00 0.01 H new ATOM 0 HB3 ARG A 174 12.191 -5.405 -5.568 1.00 0.01 H new ATOM 0 HG2 ARG A 174 11.465 -6.162 -3.234 1.00 0.01 H new ATOM 0 HG3 ARG A 174 10.256 -7.178 -3.995 1.00 0.01 H new ATOM 0 HD2 ARG A 174 12.171 -8.224 -5.379 1.00 0.01 H new ATOM 0 HD3 ARG A 174 13.289 -7.358 -4.344 1.00 0.01 H new ATOM 0 HE ARG A 174 11.605 -8.690 -2.510 1.00 0.01 H new ATOM 0 HH11 ARG A 174 13.551 -9.500 -5.298 1.00 0.01 H new ATOM 0 HH12 ARG A 174 13.923 -11.128 -4.721 1.00 0.01 H new ATOM 0 HH21 ARG A 174 12.082 -10.770 -1.771 1.00 0.01 H new ATOM 0 HH22 ARG A 174 13.098 -11.842 -2.741 1.00 0.01 H new ATOM 2784 N ILE A 175 8.000 -5.107 -5.751 1.00 0.01 N ATOM 2785 CA ILE A 175 6.611 -5.633 -5.551 1.00 0.01 C ATOM 2786 C ILE A 175 6.566 -7.102 -5.982 1.00 0.00 C ATOM 2787 O ILE A 175 6.997 -7.445 -7.065 1.00 0.01 O ATOM 2788 CB ILE A 175 5.596 -4.836 -6.386 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.934 -3.341 -6.340 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.189 -5.052 -5.817 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.830 -2.533 -7.044 1.00 3.04 C ATOM 0 H ILE A 175 8.203 -4.760 -6.688 1.00 0.01 H new ATOM 0 HA ILE A 175 6.350 -5.534 -4.497 1.00 0.01 H new ATOM 0 HB ILE A 175 5.637 -5.181 -7.419 1.00 1.52 H new ATOM 0 HG12 ILE A 175 6.033 -3.013 -5.305 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.894 -3.161 -6.825 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.467 -4.488 -6.407 1.00 1.75 H new ATOM 0 HG22 ILE A 175 3.940 -6.112 -5.856 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.158 -4.710 -4.783 1.00 1.75 H new ATOM 0 HD11 ILE A 175 5.076 -1.472 -7.008 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.752 -2.852 -8.083 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.878 -2.702 -6.540 1.00 3.04 H new ATOM 2803 N VAL A 176 6.052 -7.975 -5.148 1.00 0.01 N ATOM 2804 CA VAL A 176 5.981 -9.426 -5.512 1.00 0.00 C ATOM 2805 C VAL A 176 4.612 -9.988 -5.124 1.00 0.01 C ATOM 2806 O VAL A 176 4.017 -9.582 -4.144 1.00 0.00 O ATOM 2807 CB VAL A 176 7.065 -10.197 -4.757 1.00 1.38 C ATOM 2808 CG1 VAL A 176 7.159 -11.620 -5.308 1.00 1.88 C ATOM 2809 CG2 VAL A 176 8.410 -9.491 -4.938 1.00 1.89 C ATOM 0 H VAL A 176 5.677 -7.744 -4.228 1.00 0.01 H new ATOM 0 HA VAL A 176 6.132 -9.532 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 176 6.812 -10.235 -3.697 1.00 1.38 H new ATOM 0 HG11 VAL A 176 7.932 -12.168 -4.769 1.00 1.88 H new ATOM 0 HG12 VAL A 176 6.201 -12.124 -5.180 1.00 1.88 H new ATOM 0 HG13 VAL A 176 7.412 -11.584 -6.368 1.00 1.88 H new ATOM 0 HG21 VAL A 176 9.184 -10.039 -4.401 1.00 1.89 H new ATOM 0 HG22 VAL A 176 8.662 -9.454 -5.998 1.00 1.89 H new ATOM 0 HG23 VAL A 176 8.344 -8.477 -4.545 1.00 1.89 H new ATOM 2819 N GLU A 177 4.108 -10.922 -5.885 1.00 0.01 N ATOM 2820 CA GLU A 177 2.779 -11.516 -5.567 1.00 0.01 C ATOM 2821 C GLU A 177 2.765 -11.987 -4.112 1.00 0.01 C ATOM 2822 CB GLU A 177 2.515 -12.707 -6.493 1.00 2.15 C ATOM 2823 CG GLU A 177 3.626 -13.744 -6.320 1.00 3.19 C ATOM 2824 CD GLU A 177 3.498 -14.814 -7.405 1.00 4.20 C ATOM 2825 OE1 GLU A 177 2.450 -15.434 -7.476 1.00 4.89 O ATOM 2826 OE2 GLU A 177 4.449 -14.994 -8.146 1.00 4.77 O ATOM 0 H GLU A 177 4.562 -11.300 -6.716 1.00 0.01 H new ATOM 0 HA GLU A 177 2.002 -10.765 -5.713 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.548 -13.153 -6.262 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.473 -12.373 -7.530 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.601 -13.262 -6.383 1.00 3.19 H new ATOM 0 HG3 GLU A 177 3.560 -14.202 -5.333 1.00 3.19 H new