USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=41 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 106 GLN : amide:sc= -3.5! C(o=-5.9!,f=-7.5!) USER MOD Set 1.2: A 108 TYR OH : rot -178:sc= -2.4! USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 70 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 8 SER OG : rot -74:sc= 1.13 USER MOD Set 4.2: A 10 TYR OH : rot -102:sc= -0.129 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.636 X(o=-0.64,f=-1) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -98:sc= 0.705 USER MOD Single : A 24 CYS SG : rot 66:sc= 0.0491 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.111 USER MOD Single : A 31 SER OG : rot -27:sc= 0.251 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 8:sc= -2.27! USER MOD Single : A 37 ASN : amide:sc= -1.05 K(o=-1.1,f=-4.5!) USER MOD Single : A 38 SER OG : rot -111:sc= 0.115 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.5!) USER MOD Single : A 55 SER OG : rot 60:sc= 0.158 USER MOD Single : A 57 HIS : no HD1:sc= -0.944 X(o=-0.94,f=-0.55) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.2!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.071 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -3.04 F(o=-5.3!,f=-3) USER MOD Single : A 81 SER OG : rot -159:sc= -0.793! USER MOD Single : A 82 CYS SG : rot 180:sc= -0.454 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 41:sc= 0.227 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -3.34 (180deg=-4.43!) USER MOD Single : A 96 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.4) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.517 K(o=-0.52,f=-2.9!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 150:sc= -0.422 USER MOD Single : A 116 SER OG : rot 172:sc= -0.186 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.8!) USER MOD Single : A 122 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-3.6!) USER MOD Single : A 127 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-4.3!) USER MOD Single : A 128 SER OG : rot 134:sc= -0.294! USER MOD Single : A 129 CYS SG : rot 42:sc= -1.09 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN :FLIP amide:sc= -1.03! C(o=-4!,f=-1!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -3.52! C(o=-3.5!,f=-7.1!) USER MOD Single : A 149 TYR OH : rot 75:sc= 0.188 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.207) USER MOD Single : A 156 TYR OH : rot 180:sc=-0.00441 USER MOD Single : A 158 LYS NZ :NH3+ -111:sc= -2.3! (180deg=-4.63!) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.047) USER MOD Single : A 171 SER OG : rot -134:sc= -0.913 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 13.955 -12.044 1.008 1.00 0.01 N ATOM 58 CA GLY A 5 13.708 -10.813 0.206 1.00 0.01 C ATOM 59 C GLY A 5 14.862 -9.826 0.372 1.00 0.01 C ATOM 60 O GLY A 5 15.481 -9.746 1.414 1.00 0.01 O ATOM 0 HA2 GLY A 5 13.593 -11.074 -0.846 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.775 -10.347 0.522 1.00 0.01 H new ATOM 64 N LYS A 6 15.152 -9.070 -0.654 1.00 0.00 N ATOM 65 CA LYS A 6 16.265 -8.076 -0.579 1.00 0.01 C ATOM 66 C LYS A 6 15.994 -6.928 -1.552 1.00 0.01 C ATOM 67 O LYS A 6 15.567 -7.140 -2.677 1.00 0.00 O ATOM 68 CB LYS A 6 17.597 -8.744 -0.933 1.00 0.02 C ATOM 69 CG LYS A 6 18.707 -7.689 -0.975 1.00 0.02 C ATOM 70 CD LYS A 6 20.074 -8.378 -0.936 1.00 0.02 C ATOM 71 CE LYS A 6 20.232 -9.277 -2.164 1.00 0.02 C ATOM 72 NZ LYS A 6 21.667 -9.641 -2.331 1.00 0.02 N ATOM 0 H LYS A 6 14.662 -9.098 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 6 16.323 -7.687 0.438 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.838 -9.510 -0.196 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.519 -9.243 -1.899 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.617 -7.088 -1.880 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.608 -7.008 -0.129 1.00 0.02 H new ATOM 0 HD2 LYS A 6 20.868 -7.632 -0.915 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.168 -8.970 -0.025 1.00 0.02 H new ATOM 0 HE2 LYS A 6 19.628 -10.177 -2.049 1.00 0.02 H new ATOM 0 HE3 LYS A 6 19.870 -8.762 -3.054 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 21.775 -10.252 -3.166 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 22.232 -8.777 -2.459 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 21.997 -10.148 -1.485 1.00 0.02 H new ATOM 86 N ILE A 7 16.261 -5.711 -1.125 1.00 0.02 N ATOM 87 CA ILE A 7 16.047 -4.515 -2.002 1.00 0.00 C ATOM 88 C ILE A 7 17.310 -3.642 -2.001 1.00 0.02 C ATOM 89 O ILE A 7 17.952 -3.464 -0.983 1.00 0.01 O ATOM 90 CB ILE A 7 14.829 -3.731 -1.504 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.708 -2.417 -2.277 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.977 -3.430 -0.017 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.368 -1.754 -1.946 1.00 0.02 C ATOM 0 H ILE A 7 16.622 -5.497 -0.195 1.00 0.02 H new ATOM 0 HA ILE A 7 15.855 -4.833 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 7 13.933 -4.331 -1.664 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.530 -1.751 -2.015 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.779 -2.605 -3.348 1.00 0.02 H new ATOM 0 HG21 ILE A 7 14.107 -2.872 0.330 1.00 0.01 H new ATOM 0 HG22 ILE A 7 15.053 -4.365 0.538 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.877 -2.837 0.146 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.280 -0.817 -2.496 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.553 -2.420 -2.230 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.316 -1.553 -0.876 1.00 0.02 H new ATOM 105 N SER A 8 17.671 -3.094 -3.143 1.00 0.02 N ATOM 106 CA SER A 8 18.894 -2.225 -3.234 1.00 0.02 C ATOM 107 C SER A 8 18.517 -0.830 -3.750 1.00 0.01 C ATOM 108 O SER A 8 17.847 -0.686 -4.754 1.00 0.02 O ATOM 109 CB SER A 8 19.914 -2.853 -4.189 1.00 0.30 C ATOM 110 OG SER A 8 20.706 -1.828 -4.776 1.00 0.39 O ATOM 0 H SER A 8 17.167 -3.213 -4.022 1.00 0.02 H new ATOM 0 HA SER A 8 19.330 -2.138 -2.239 1.00 0.02 H new ATOM 0 HB2 SER A 8 20.550 -3.555 -3.649 1.00 0.30 H new ATOM 0 HB3 SER A 8 19.400 -3.420 -4.965 1.00 0.30 H new ATOM 0 HG SER A 8 20.178 -1.352 -5.451 1.00 0.39 H new ATOM 116 N PHE A 9 18.962 0.203 -3.066 1.00 0.02 N ATOM 117 CA PHE A 9 18.662 1.610 -3.493 1.00 0.01 C ATOM 118 C PHE A 9 19.953 2.292 -3.981 1.00 0.01 C ATOM 119 O PHE A 9 21.011 2.107 -3.408 1.00 0.02 O ATOM 120 CB PHE A 9 18.103 2.393 -2.297 1.00 0.02 C ATOM 121 CG PHE A 9 17.174 1.514 -1.492 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.701 0.534 -0.643 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.787 1.685 -1.587 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.842 -0.273 0.114 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.928 0.877 -0.833 1.00 0.02 C ATOM 126 CZ PHE A 9 15.456 -0.101 0.018 1.00 0.02 C ATOM 0 H PHE A 9 19.527 0.128 -2.220 1.00 0.02 H new ATOM 0 HA PHE A 9 17.932 1.593 -4.302 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.921 2.744 -1.668 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.569 3.276 -2.648 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.770 0.400 -0.572 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.380 2.441 -2.242 1.00 0.01 H new ATOM 0 HE1 PHE A 9 17.249 -1.027 0.771 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.859 1.008 -0.908 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.793 -0.723 0.601 1.00 0.02 H new ATOM 136 N TYR A 10 19.878 3.079 -5.036 1.00 0.02 N ATOM 137 CA TYR A 10 21.103 3.775 -5.568 1.00 0.01 C ATOM 138 C TYR A 10 20.876 5.294 -5.582 1.00 0.02 C ATOM 139 O TYR A 10 19.802 5.774 -5.904 1.00 0.01 O ATOM 140 CB TYR A 10 21.379 3.303 -7.001 1.00 0.02 C ATOM 141 CG TYR A 10 21.192 1.805 -7.100 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.905 1.255 -7.060 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.305 0.967 -7.239 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.732 -0.132 -7.159 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.133 -0.418 -7.339 1.00 0.02 C ATOM 146 CZ TYR A 10 20.846 -0.968 -7.298 1.00 0.00 C ATOM 147 OH TYR A 10 20.677 -2.334 -7.396 1.00 0.02 O ATOM 0 H TYR A 10 19.019 3.270 -5.552 1.00 0.02 H new ATOM 0 HA TYR A 10 21.952 3.537 -4.927 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.706 3.808 -7.694 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.395 3.570 -7.291 1.00 0.02 H new ATOM 0 HD1 TYR A 10 19.045 1.900 -6.953 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.298 1.390 -7.269 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.739 -0.556 -7.128 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.993 -1.063 -7.448 1.00 0.02 H new ATOM 0 HH TYR A 10 20.886 -2.752 -6.535 1.00 0.02 H new ATOM 157 N GLU A 11 21.868 6.058 -5.198 1.00 0.00 N ATOM 158 CA GLU A 11 21.686 7.538 -5.156 1.00 0.02 C ATOM 159 C GLU A 11 21.565 8.137 -6.558 1.00 0.03 C ATOM 160 O GLU A 11 20.943 9.167 -6.725 1.00 0.03 O ATOM 161 CB GLU A 11 22.883 8.181 -4.454 1.00 0.00 C ATOM 162 CG GLU A 11 23.072 7.535 -3.086 1.00 0.00 C ATOM 163 CD GLU A 11 24.105 8.329 -2.284 1.00 0.02 C ATOM 164 OE1 GLU A 11 25.108 8.713 -2.862 1.00 0.01 O ATOM 165 OE2 GLU A 11 23.874 8.540 -1.104 1.00 0.02 O ATOM 0 H GLU A 11 22.789 5.723 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 11 20.763 7.739 -4.613 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.783 8.055 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.721 9.253 -4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.123 7.508 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.402 6.503 -3.202 1.00 0.00 H new ATOM 172 N ASP A 12 22.142 7.525 -7.572 1.00 0.02 N ATOM 173 CA ASP A 12 22.037 8.101 -8.955 1.00 0.01 C ATOM 174 C ASP A 12 21.220 7.171 -9.855 1.00 0.02 C ATOM 175 O ASP A 12 20.904 6.053 -9.502 1.00 0.02 O ATOM 176 CB ASP A 12 23.437 8.265 -9.552 1.00 0.01 C ATOM 177 CG ASP A 12 23.362 9.141 -10.804 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.218 10.344 -10.654 1.00 0.03 O ATOM 179 OD2 ASP A 12 23.449 8.596 -11.892 1.00 0.02 O ATOM 0 H ASP A 12 22.676 6.659 -7.502 1.00 0.02 H new ATOM 0 HA ASP A 12 21.543 9.070 -8.892 1.00 0.01 H new ATOM 0 HB2 ASP A 12 24.105 8.717 -8.819 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.853 7.289 -9.803 1.00 0.01 H new ATOM 184 N ARG A 13 20.873 7.651 -11.017 1.00 0.02 N ATOM 185 CA ARG A 13 20.065 6.841 -11.975 1.00 0.02 C ATOM 186 C ARG A 13 20.945 5.778 -12.638 1.00 0.00 C ATOM 187 O ARG A 13 22.152 5.898 -12.702 1.00 0.02 O ATOM 188 CB ARG A 13 19.506 7.779 -13.047 1.00 0.00 C ATOM 189 CG ARG A 13 18.405 8.652 -12.441 1.00 0.01 C ATOM 190 CD ARG A 13 17.945 9.686 -13.471 1.00 0.02 C ATOM 191 NE ARG A 13 17.127 10.732 -12.794 1.00 0.03 N ATOM 192 CZ ARG A 13 16.877 11.860 -13.401 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.348 12.076 -14.600 1.00 0.02 N ATOM 194 NH2 ARG A 13 16.160 12.775 -12.808 1.00 0.02 N ATOM 0 H ARG A 13 21.118 8.584 -11.349 1.00 0.02 H new ATOM 0 HA ARG A 13 19.254 6.343 -11.444 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.303 8.406 -13.447 1.00 0.00 H new ATOM 0 HB3 ARG A 13 19.108 7.200 -13.880 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.563 8.032 -12.133 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.775 9.154 -11.547 1.00 0.01 H new ATOM 0 HD2 ARG A 13 18.809 10.142 -13.955 1.00 0.02 H new ATOM 0 HD3 ARG A 13 17.360 9.201 -14.253 1.00 0.02 H new ATOM 0 HE ARG A 13 16.762 10.566 -11.856 1.00 0.03 H new ATOM 0 HH11 ARG A 13 17.912 11.363 -15.063 1.00 0.02 H new ATOM 0 HH12 ARG A 13 17.152 12.958 -15.074 1.00 0.02 H new ATOM 0 HH21 ARG A 13 15.795 12.609 -11.870 1.00 0.02 H new ATOM 0 HH22 ARG A 13 15.965 13.657 -13.282 1.00 0.02 H new ATOM 208 N ASN A 14 20.328 4.743 -13.145 1.00 0.02 N ATOM 209 CA ASN A 14 21.082 3.654 -13.830 1.00 0.02 C ATOM 210 C ASN A 14 21.975 2.898 -12.839 1.00 0.02 C ATOM 211 O ASN A 14 23.032 2.403 -13.173 1.00 0.02 O ATOM 212 CB ASN A 14 21.918 4.259 -14.963 1.00 0.26 C ATOM 213 CG ASN A 14 21.135 5.396 -15.623 1.00 0.12 C ATOM 214 OD1 ASN A 14 19.953 5.271 -15.870 1.00 0.74 O ATOM 215 ND2 ASN A 14 21.749 6.508 -15.920 1.00 0.46 N ATOM 0 H ASN A 14 19.318 4.605 -13.112 1.00 0.02 H new ATOM 0 HA ASN A 14 20.375 2.936 -14.246 1.00 0.02 H new ATOM 0 HB2 ASN A 14 22.864 4.634 -14.571 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.159 3.493 -15.700 1.00 0.26 H new ATOM 0 HD21 ASN A 14 21.236 7.272 -16.360 1.00 0.46 H new ATOM 0 HD22 ASN A 14 22.742 6.613 -15.713 1.00 0.46 H new ATOM 222 N PHE A 15 21.514 2.787 -11.621 1.00 0.02 N ATOM 223 CA PHE A 15 22.269 2.037 -10.572 1.00 0.02 C ATOM 224 C PHE A 15 23.694 2.576 -10.421 1.00 0.00 C ATOM 225 O PHE A 15 24.638 1.826 -10.261 1.00 0.02 O ATOM 226 CB PHE A 15 22.316 0.548 -10.957 1.00 0.02 C ATOM 227 CG PHE A 15 21.047 0.177 -11.691 1.00 0.02 C ATOM 228 CD1 PHE A 15 19.850 0.020 -10.983 1.00 0.02 C ATOM 229 CD2 PHE A 15 21.068 -0.004 -13.080 1.00 0.02 C ATOM 230 CE1 PHE A 15 18.673 -0.317 -11.661 1.00 0.02 C ATOM 231 CE2 PHE A 15 19.892 -0.342 -13.758 1.00 0.02 C ATOM 232 CZ PHE A 15 18.693 -0.498 -13.050 1.00 0.02 C ATOM 0 H PHE A 15 20.633 3.190 -11.303 1.00 0.02 H new ATOM 0 HA PHE A 15 21.759 2.164 -9.617 1.00 0.02 H new ATOM 0 HB2 PHE A 15 23.184 0.351 -11.587 1.00 0.02 H new ATOM 0 HB3 PHE A 15 22.425 -0.066 -10.063 1.00 0.02 H new ATOM 0 HD1 PHE A 15 19.835 0.159 -9.912 1.00 0.02 H new ATOM 0 HD2 PHE A 15 21.991 0.117 -13.627 1.00 0.02 H new ATOM 0 HE1 PHE A 15 17.750 -0.437 -11.114 1.00 0.02 H new ATOM 0 HE2 PHE A 15 19.908 -0.483 -14.829 1.00 0.02 H new ATOM 0 HZ PHE A 15 17.785 -0.757 -13.575 1.00 0.02 H new ATOM 242 N GLN A 16 23.845 3.874 -10.451 1.00 0.02 N ATOM 243 CA GLN A 16 25.195 4.499 -10.287 1.00 0.02 C ATOM 244 C GLN A 16 25.212 5.254 -8.953 1.00 0.02 C ATOM 245 O GLN A 16 24.178 5.493 -8.353 1.00 0.02 O ATOM 246 CB GLN A 16 25.440 5.484 -11.436 1.00 0.02 C ATOM 247 CG GLN A 16 25.867 4.718 -12.690 1.00 0.00 C ATOM 248 CD GLN A 16 26.125 5.706 -13.829 1.00 0.00 C ATOM 249 OE1 GLN A 16 25.202 6.274 -14.376 1.00 0.02 O ATOM 250 NE2 GLN A 16 27.351 5.933 -14.209 1.00 0.02 N ATOM 0 H GLN A 16 23.082 4.538 -10.584 1.00 0.02 H new ATOM 0 HA GLN A 16 25.973 3.736 -10.299 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.534 6.055 -11.638 1.00 0.02 H new ATOM 0 HB3 GLN A 16 26.212 6.200 -11.155 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.768 4.139 -12.486 1.00 0.00 H new ATOM 0 HG3 GLN A 16 25.091 4.009 -12.978 1.00 0.00 H new ATOM 0 HE21 GLN A 16 28.125 5.455 -13.748 1.00 0.02 H new ATOM 0 HE22 GLN A 16 27.537 6.589 -14.968 1.00 0.02 H new ATOM 259 N GLY A 17 26.368 5.628 -8.474 1.00 0.03 N ATOM 260 CA GLY A 17 26.433 6.363 -7.175 1.00 0.03 C ATOM 261 C GLY A 17 26.548 5.374 -6.010 1.00 0.02 C ATOM 262 O GLY A 17 26.786 4.198 -6.202 1.00 0.02 O ATOM 0 H GLY A 17 27.268 5.458 -8.923 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.289 7.038 -7.174 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.542 6.978 -7.052 1.00 0.03 H new ATOM 266 N ARG A 18 26.368 5.842 -4.805 1.00 0.00 N ATOM 267 CA ARG A 18 26.450 4.933 -3.623 1.00 0.02 C ATOM 268 C ARG A 18 25.253 3.980 -3.640 1.00 0.02 C ATOM 269 O ARG A 18 24.160 4.343 -4.037 1.00 0.02 O ATOM 270 CB ARG A 18 26.433 5.776 -2.342 1.00 0.79 C ATOM 271 CG ARG A 18 26.967 4.947 -1.172 1.00 1.49 C ATOM 272 CD ARG A 18 26.865 5.759 0.121 1.00 1.42 C ATOM 273 NE ARG A 18 27.579 7.056 -0.051 1.00 2.07 N ATOM 274 CZ ARG A 18 27.385 8.027 0.800 1.00 2.35 C ATOM 275 NH1 ARG A 18 26.561 7.867 1.798 1.00 2.53 N ATOM 276 NH2 ARG A 18 28.015 9.161 0.650 1.00 2.76 N ATOM 0 H ARG A 18 26.167 6.818 -4.586 1.00 0.00 H new ATOM 0 HA ARG A 18 27.371 4.351 -3.658 1.00 0.02 H new ATOM 0 HB2 ARG A 18 27.043 6.670 -2.475 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.418 6.111 -2.129 1.00 0.79 H new ATOM 0 HG2 ARG A 18 26.398 4.022 -1.079 1.00 1.49 H new ATOM 0 HG3 ARG A 18 28.004 4.666 -1.356 1.00 1.49 H new ATOM 0 HD2 ARG A 18 25.819 5.937 0.370 1.00 1.42 H new ATOM 0 HD3 ARG A 18 27.299 5.200 0.950 1.00 1.42 H new ATOM 0 HE ARG A 18 28.220 7.185 -0.834 1.00 2.07 H new ATOM 0 HH11 ARG A 18 26.067 6.982 1.915 1.00 2.53 H new ATOM 0 HH12 ARG A 18 26.411 8.627 2.462 1.00 2.53 H new ATOM 0 HH21 ARG A 18 28.658 9.288 -0.132 1.00 2.76 H new ATOM 0 HH22 ARG A 18 27.864 9.920 1.314 1.00 2.76 H new ATOM 290 N ARG A 19 25.464 2.751 -3.228 1.00 0.02 N ATOM 291 CA ARG A 19 24.364 1.735 -3.227 1.00 0.02 C ATOM 292 C ARG A 19 24.139 1.219 -1.804 1.00 0.02 C ATOM 293 O ARG A 19 25.049 1.153 -1.002 1.00 0.02 O ATOM 294 CB ARG A 19 24.781 0.560 -4.119 1.00 0.85 C ATOM 295 CG ARG A 19 23.611 -0.417 -4.282 1.00 1.31 C ATOM 296 CD ARG A 19 24.093 -1.665 -5.022 1.00 1.34 C ATOM 297 NE ARG A 19 24.995 -1.264 -6.139 1.00 1.50 N ATOM 298 CZ ARG A 19 25.747 -2.158 -6.723 1.00 1.63 C ATOM 299 NH1 ARG A 19 25.706 -3.401 -6.333 1.00 1.72 N ATOM 300 NH2 ARG A 19 26.539 -1.807 -7.700 1.00 1.89 N ATOM 0 H ARG A 19 26.362 2.406 -2.889 1.00 0.02 H new ATOM 0 HA ARG A 19 23.445 2.189 -3.598 1.00 0.02 H new ATOM 0 HB2 ARG A 19 25.097 0.928 -5.095 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.636 0.046 -3.681 1.00 0.85 H new ATOM 0 HG2 ARG A 19 23.212 -0.691 -3.305 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.801 0.057 -4.835 1.00 1.31 H new ATOM 0 HD2 ARG A 19 24.620 -2.327 -4.335 1.00 1.34 H new ATOM 0 HD3 ARG A 19 23.241 -2.222 -5.411 1.00 1.34 H new ATOM 0 HE ARG A 19 25.025 -0.292 -6.447 1.00 1.50 H new ATOM 0 HH11 ARG A 19 25.086 -3.676 -5.571 1.00 1.72 H new ATOM 0 HH12 ARG A 19 26.294 -4.098 -6.790 1.00 1.72 H new ATOM 0 HH21 ARG A 19 26.570 -0.835 -8.007 1.00 1.89 H new ATOM 0 HH22 ARG A 19 27.126 -2.505 -8.156 1.00 1.89 H new ATOM 314 N TYR A 20 22.927 0.836 -1.499 1.00 0.02 N ATOM 315 CA TYR A 20 22.614 0.296 -0.138 1.00 0.02 C ATOM 316 C TYR A 20 21.724 -0.937 -0.270 1.00 0.02 C ATOM 317 O TYR A 20 20.731 -0.904 -0.958 1.00 0.02 O ATOM 318 CB TYR A 20 21.872 1.339 0.681 1.00 0.02 C ATOM 319 CG TYR A 20 21.784 0.862 2.111 1.00 0.01 C ATOM 320 CD1 TYR A 20 20.762 -0.018 2.495 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.731 1.285 3.053 1.00 0.02 C ATOM 322 CE1 TYR A 20 20.687 -0.470 3.817 1.00 0.02 C ATOM 323 CE2 TYR A 20 22.656 0.831 4.375 1.00 0.02 C ATOM 324 CZ TYR A 20 21.633 -0.047 4.757 1.00 0.02 C ATOM 325 OH TYR A 20 21.560 -0.495 6.062 1.00 0.01 O ATOM 0 H TYR A 20 22.133 0.874 -2.138 1.00 0.02 H new ATOM 0 HA TYR A 20 23.550 0.036 0.357 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.392 2.296 0.634 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.873 1.498 0.274 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.032 -0.347 1.770 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.519 1.962 2.759 1.00 0.02 H new ATOM 0 HE1 TYR A 20 19.898 -1.146 4.112 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.387 1.157 5.100 1.00 0.02 H new ATOM 0 HH TYR A 20 22.293 -0.106 6.583 1.00 0.01 H new ATOM 335 N ASP A 21 22.053 -2.010 0.400 1.00 0.01 N ATOM 336 CA ASP A 21 21.211 -3.248 0.331 1.00 0.02 C ATOM 337 C ASP A 21 20.500 -3.441 1.676 1.00 0.00 C ATOM 338 O ASP A 21 21.093 -3.300 2.728 1.00 0.01 O ATOM 339 CB ASP A 21 22.121 -4.447 0.062 1.00 0.12 C ATOM 340 CG ASP A 21 22.801 -4.276 -1.298 1.00 0.41 C ATOM 341 OD1 ASP A 21 22.826 -3.159 -1.790 1.00 0.56 O ATOM 342 OD2 ASP A 21 23.286 -5.265 -1.823 1.00 1.12 O ATOM 0 H ASP A 21 22.876 -2.085 0.998 1.00 0.01 H new ATOM 0 HA ASP A 21 20.472 -3.158 -0.465 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.872 -4.531 0.848 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.540 -5.369 0.077 1.00 0.12 H new ATOM 347 N CYS A 22 19.222 -3.752 1.641 1.00 0.01 N ATOM 348 CA CYS A 22 18.441 -3.947 2.909 1.00 0.00 C ATOM 349 C CYS A 22 17.733 -5.301 2.858 1.00 0.02 C ATOM 350 O CYS A 22 17.189 -5.694 1.840 1.00 0.01 O ATOM 351 CB CYS A 22 17.406 -2.828 3.044 1.00 0.00 C ATOM 352 SG CYS A 22 16.714 -2.845 4.716 1.00 0.02 S ATOM 0 H CYS A 22 18.684 -3.880 0.784 1.00 0.01 H new ATOM 0 HA CYS A 22 19.114 -3.920 3.766 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.870 -1.863 2.841 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.612 -2.962 2.309 1.00 0.00 H new ATOM 0 HG CYS A 22 15.579 -3.478 4.709 1.00 0.02 H new ATOM 358 N ASP A 23 17.748 -6.025 3.953 1.00 0.01 N ATOM 359 CA ASP A 23 17.095 -7.371 4.001 1.00 0.02 C ATOM 360 C ASP A 23 15.976 -7.390 5.052 1.00 0.00 C ATOM 361 O ASP A 23 15.464 -8.438 5.393 1.00 0.02 O ATOM 362 CB ASP A 23 18.149 -8.417 4.368 1.00 0.16 C ATOM 363 CG ASP A 23 19.165 -8.536 3.230 1.00 0.17 C ATOM 364 OD1 ASP A 23 19.657 -7.510 2.792 1.00 0.20 O ATOM 365 OD2 ASP A 23 19.432 -9.652 2.816 1.00 0.17 O ATOM 0 H ASP A 23 18.191 -5.736 4.825 1.00 0.01 H new ATOM 0 HA ASP A 23 16.662 -7.593 3.026 1.00 0.02 H new ATOM 0 HB2 ASP A 23 18.653 -8.133 5.292 1.00 0.16 H new ATOM 0 HB3 ASP A 23 17.673 -9.381 4.548 1.00 0.16 H new ATOM 370 N CYS A 24 15.580 -6.251 5.568 1.00 0.01 N ATOM 371 CA CYS A 24 14.486 -6.237 6.587 1.00 0.01 C ATOM 372 C CYS A 24 13.875 -4.831 6.656 1.00 0.01 C ATOM 373 O CYS A 24 14.358 -3.911 6.027 1.00 0.01 O ATOM 374 CB CYS A 24 15.057 -6.618 7.954 1.00 0.62 C ATOM 375 SG CYS A 24 16.166 -5.310 8.529 1.00 1.23 S ATOM 0 H CYS A 24 15.965 -5.337 5.329 1.00 0.01 H new ATOM 0 HA CYS A 24 13.715 -6.955 6.307 1.00 0.01 H new ATOM 0 HB2 CYS A 24 14.248 -6.765 8.670 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.596 -7.563 7.884 1.00 0.62 H new ATOM 0 HG CYS A 24 15.481 -4.228 8.755 1.00 1.23 H new ATOM 381 N ASP A 25 12.813 -4.650 7.403 1.00 0.02 N ATOM 382 CA ASP A 25 12.172 -3.300 7.497 1.00 0.01 C ATOM 383 C ASP A 25 13.128 -2.286 8.131 1.00 0.02 C ATOM 384 O ASP A 25 13.899 -2.605 9.014 1.00 0.00 O ATOM 385 CB ASP A 25 10.924 -3.406 8.376 1.00 0.01 C ATOM 386 CG ASP A 25 11.295 -4.045 9.716 1.00 0.01 C ATOM 387 OD1 ASP A 25 11.874 -3.356 10.539 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.995 -5.213 9.895 1.00 0.01 O ATOM 0 H ASP A 25 12.361 -5.381 7.953 1.00 0.02 H new ATOM 0 HA ASP A 25 11.915 -2.965 6.492 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.496 -2.417 8.539 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.163 -4.004 7.874 1.00 0.01 H new ATOM 393 N CYS A 26 13.049 -1.048 7.701 1.00 0.01 N ATOM 394 CA CYS A 26 13.914 0.031 8.283 1.00 0.01 C ATOM 395 C CYS A 26 13.042 1.261 8.584 1.00 0.01 C ATOM 396 O CYS A 26 12.443 1.833 7.696 1.00 0.01 O ATOM 397 CB CYS A 26 15.013 0.408 7.286 1.00 0.01 C ATOM 398 SG CYS A 26 16.055 1.703 8.001 1.00 0.02 S ATOM 0 H CYS A 26 12.416 -0.736 6.965 1.00 0.01 H new ATOM 0 HA CYS A 26 14.378 -0.326 9.202 1.00 0.01 H new ATOM 0 HB2 CYS A 26 15.616 -0.467 7.045 1.00 0.01 H new ATOM 0 HB3 CYS A 26 14.569 0.757 6.353 1.00 0.01 H new ATOM 0 HG CYS A 26 16.990 2.023 7.157 1.00 0.02 H new ATOM 404 N ALA A 27 12.931 1.643 9.835 1.00 0.01 N ATOM 405 CA ALA A 27 12.056 2.805 10.197 1.00 0.01 C ATOM 406 C ALA A 27 12.739 4.137 9.881 1.00 0.01 C ATOM 407 O ALA A 27 12.085 5.150 9.729 1.00 0.02 O ATOM 408 CB ALA A 27 11.731 2.747 11.691 1.00 0.24 C ATOM 0 H ALA A 27 13.408 1.201 10.621 1.00 0.01 H new ATOM 0 HA ALA A 27 11.142 2.741 9.606 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.095 3.591 11.958 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.211 1.815 11.914 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.655 2.793 12.267 1.00 0.24 H new ATOM 414 N ASP A 28 14.037 4.156 9.791 1.00 0.01 N ATOM 415 CA ASP A 28 14.752 5.434 9.490 1.00 0.02 C ATOM 416 C ASP A 28 16.024 5.098 8.724 1.00 0.01 C ATOM 417 O ASP A 28 16.990 4.608 9.274 1.00 0.02 O ATOM 418 CB ASP A 28 15.095 6.160 10.793 1.00 0.67 C ATOM 419 CG ASP A 28 15.815 5.198 11.740 1.00 0.90 C ATOM 420 OD1 ASP A 28 15.936 4.036 11.391 1.00 1.14 O ATOM 421 OD2 ASP A 28 16.234 5.641 12.798 1.00 0.87 O ATOM 0 H ASP A 28 14.639 3.342 9.913 1.00 0.01 H new ATOM 0 HA ASP A 28 14.119 6.089 8.891 1.00 0.02 H new ATOM 0 HB2 ASP A 28 15.727 7.023 10.585 1.00 0.67 H new ATOM 0 HB3 ASP A 28 14.186 6.536 11.262 1.00 0.67 H new ATOM 426 N PHE A 29 16.003 5.315 7.439 1.00 0.02 N ATOM 427 CA PHE A 29 17.161 4.975 6.566 1.00 0.02 C ATOM 428 C PHE A 29 17.929 6.246 6.153 1.00 0.00 C ATOM 429 O PHE A 29 18.854 6.217 5.357 1.00 0.02 O ATOM 430 CB PHE A 29 16.553 4.283 5.346 1.00 2.87 C ATOM 431 CG PHE A 29 17.608 3.966 4.326 1.00 3.99 C ATOM 432 CD1 PHE A 29 18.650 3.096 4.655 1.00 4.68 C ATOM 433 CD2 PHE A 29 17.537 4.528 3.046 1.00 4.52 C ATOM 434 CE1 PHE A 29 19.622 2.789 3.703 1.00 5.85 C ATOM 435 CE2 PHE A 29 18.510 4.220 2.100 1.00 5.75 C ATOM 436 CZ PHE A 29 19.551 3.351 2.428 1.00 6.37 C ATOM 0 H PHE A 29 15.210 5.725 6.945 1.00 0.02 H new ATOM 0 HA PHE A 29 17.881 4.336 7.077 1.00 0.02 H new ATOM 0 HB2 PHE A 29 16.054 3.365 5.655 1.00 2.87 H new ATOM 0 HB3 PHE A 29 15.793 4.925 4.901 1.00 2.87 H new ATOM 0 HD1 PHE A 29 18.703 2.663 5.643 1.00 4.68 H new ATOM 0 HD2 PHE A 29 16.729 5.199 2.793 1.00 4.52 H new ATOM 0 HE1 PHE A 29 20.429 2.116 3.953 1.00 5.85 H new ATOM 0 HE2 PHE A 29 18.459 4.654 1.112 1.00 5.75 H new ATOM 0 HZ PHE A 29 20.305 3.112 1.692 1.00 6.37 H new ATOM 446 N ARG A 30 17.513 7.371 6.665 1.00 0.01 N ATOM 447 CA ARG A 30 18.160 8.666 6.297 1.00 0.00 C ATOM 448 C ARG A 30 19.647 8.703 6.682 1.00 0.01 C ATOM 449 O ARG A 30 20.412 9.450 6.106 1.00 0.02 O ATOM 450 CB ARG A 30 17.436 9.810 7.010 1.00 0.32 C ATOM 451 CG ARG A 30 15.970 9.833 6.574 1.00 0.86 C ATOM 452 CD ARG A 30 15.308 11.119 7.071 1.00 1.62 C ATOM 453 NE ARG A 30 15.707 11.369 8.486 1.00 2.25 N ATOM 454 CZ ARG A 30 15.515 12.546 9.018 1.00 2.70 C ATOM 455 NH1 ARG A 30 14.976 13.501 8.313 1.00 3.11 N ATOM 456 NH2 ARG A 30 15.864 12.767 10.257 1.00 3.02 N ATOM 0 H ARG A 30 16.744 7.451 7.330 1.00 0.01 H new ATOM 0 HA ARG A 30 18.091 8.773 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.504 9.681 8.090 1.00 0.32 H new ATOM 0 HB3 ARG A 30 17.913 10.761 6.772 1.00 0.32 H new ATOM 0 HG2 ARG A 30 15.902 9.773 5.488 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.447 8.964 6.974 1.00 0.86 H new ATOM 0 HD2 ARG A 30 15.606 11.960 6.444 1.00 1.62 H new ATOM 0 HD3 ARG A 30 14.224 11.035 6.997 1.00 1.62 H new ATOM 0 HE ARG A 30 16.129 10.622 9.037 1.00 2.25 H new ATOM 0 HH11 ARG A 30 14.704 13.329 7.345 1.00 3.11 H new ATOM 0 HH12 ARG A 30 14.826 14.420 8.729 1.00 3.11 H new ATOM 0 HH21 ARG A 30 16.286 12.020 10.809 1.00 3.02 H new ATOM 0 HH22 ARG A 30 15.714 13.686 10.673 1.00 3.02 H new ATOM 470 N SER A 31 20.072 7.948 7.660 1.00 0.02 N ATOM 471 CA SER A 31 21.508 8.006 8.074 1.00 0.02 C ATOM 472 C SER A 31 22.401 7.230 7.100 1.00 0.01 C ATOM 473 O SER A 31 23.609 7.358 7.130 1.00 0.02 O ATOM 474 CB SER A 31 21.645 7.399 9.469 1.00 0.37 C ATOM 475 OG SER A 31 22.984 7.557 9.922 1.00 0.88 O ATOM 0 H SER A 31 19.492 7.296 8.189 1.00 0.02 H new ATOM 0 HA SER A 31 21.826 9.049 8.073 1.00 0.02 H new ATOM 0 HB2 SER A 31 20.956 7.886 10.159 1.00 0.37 H new ATOM 0 HB3 SER A 31 21.379 6.342 9.446 1.00 0.37 H new ATOM 0 HG SER A 31 23.587 7.603 9.151 1.00 0.88 H new ATOM 481 N TYR A 32 21.828 6.404 6.264 1.00 0.01 N ATOM 482 CA TYR A 32 22.658 5.587 5.316 1.00 0.01 C ATOM 483 C TYR A 32 22.557 6.149 3.897 1.00 0.02 C ATOM 484 O TYR A 32 23.392 5.883 3.054 1.00 0.02 O ATOM 485 CB TYR A 32 22.131 4.149 5.339 1.00 0.02 C ATOM 486 CG TYR A 32 22.630 3.442 6.581 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.990 3.139 6.710 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.736 3.091 7.602 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.458 2.486 7.857 1.00 0.00 C ATOM 490 CE2 TYR A 32 22.203 2.438 8.749 1.00 0.02 C ATOM 491 CZ TYR A 32 23.564 2.135 8.876 1.00 0.02 C ATOM 492 OH TYR A 32 24.025 1.490 10.005 1.00 0.02 O ATOM 0 H TYR A 32 20.821 6.257 6.193 1.00 0.01 H new ATOM 0 HA TYR A 32 23.704 5.617 5.622 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.041 4.151 5.323 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.462 3.616 4.448 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.680 3.409 5.924 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.686 3.324 7.504 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.508 2.253 7.956 1.00 0.00 H new ATOM 0 HE2 TYR A 32 21.514 2.168 9.535 1.00 0.02 H new ATOM 0 HH TYR A 32 23.276 1.320 10.613 1.00 0.02 H new ATOM 502 N LEU A 33 21.540 6.913 3.618 1.00 0.02 N ATOM 503 CA LEU A 33 21.389 7.476 2.237 1.00 0.02 C ATOM 504 C LEU A 33 20.639 8.810 2.304 1.00 0.02 C ATOM 505 O LEU A 33 19.618 8.936 2.952 1.00 0.02 O ATOM 506 CB LEU A 33 20.580 6.480 1.391 1.00 1.66 C ATOM 507 CG LEU A 33 21.029 6.538 -0.087 1.00 2.38 C ATOM 508 CD1 LEU A 33 22.296 5.693 -0.293 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.917 5.995 -0.993 1.00 2.80 C ATOM 0 H LEU A 33 20.808 7.174 4.278 1.00 0.02 H new ATOM 0 HA LEU A 33 22.371 7.640 1.792 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.715 5.470 1.779 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.517 6.711 1.464 1.00 1.66 H new ATOM 0 HG LEU A 33 21.240 7.577 -0.342 1.00 2.38 H new ATOM 0 HD11 LEU A 33 22.601 5.743 -1.338 1.00 3.32 H new ATOM 0 HD12 LEU A 33 23.097 6.079 0.337 1.00 3.32 H new ATOM 0 HD13 LEU A 33 22.090 4.657 -0.024 1.00 3.32 H new ATOM 0 HD21 LEU A 33 20.241 6.039 -2.033 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.701 4.961 -0.724 1.00 2.80 H new ATOM 0 HD23 LEU A 33 19.018 6.598 -0.867 1.00 2.80 H new ATOM 521 N SER A 34 21.161 9.811 1.644 1.00 0.02 N ATOM 522 CA SER A 34 20.517 11.153 1.663 1.00 0.02 C ATOM 523 C SER A 34 19.449 11.266 0.569 1.00 0.00 C ATOM 524 O SER A 34 18.668 12.196 0.555 1.00 0.01 O ATOM 525 CB SER A 34 21.584 12.225 1.436 1.00 0.02 C ATOM 526 OG SER A 34 22.451 12.272 2.561 1.00 0.02 O ATOM 0 H SER A 34 22.014 9.753 1.088 1.00 0.02 H new ATOM 0 HA SER A 34 20.037 11.293 2.631 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.153 12.002 0.533 1.00 0.02 H new ATOM 0 HB3 SER A 34 21.113 13.196 1.285 1.00 0.02 H new ATOM 0 HG SER A 34 23.137 12.957 2.417 1.00 0.02 H new ATOM 532 N ARG A 35 19.400 10.335 -0.352 1.00 0.02 N ATOM 533 CA ARG A 35 18.383 10.396 -1.442 1.00 0.01 C ATOM 534 C ARG A 35 18.456 9.093 -2.253 1.00 0.02 C ATOM 535 O ARG A 35 19.433 8.375 -2.198 1.00 0.02 O ATOM 536 CB ARG A 35 18.677 11.585 -2.359 1.00 0.02 C ATOM 537 CG ARG A 35 20.146 11.551 -2.782 1.00 0.02 C ATOM 538 CD ARG A 35 20.413 12.666 -3.796 1.00 0.02 C ATOM 539 NE ARG A 35 20.076 13.984 -3.186 1.00 0.02 N ATOM 540 CZ ARG A 35 20.491 15.088 -3.744 1.00 0.02 C ATOM 541 NH1 ARG A 35 21.203 15.039 -4.836 1.00 0.00 N ATOM 542 NH2 ARG A 35 20.197 16.241 -3.210 1.00 0.02 N ATOM 0 H ARG A 35 20.026 9.531 -0.394 1.00 0.02 H new ATOM 0 HA ARG A 35 17.388 10.517 -1.014 1.00 0.01 H new ATOM 0 HB2 ARG A 35 18.033 11.548 -3.238 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.458 12.519 -1.842 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.789 11.676 -1.911 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.387 10.582 -3.219 1.00 0.02 H new ATOM 0 HD2 ARG A 35 21.459 12.652 -4.101 1.00 0.02 H new ATOM 0 HD3 ARG A 35 19.817 12.506 -4.694 1.00 0.02 H new ATOM 0 HE ARG A 35 19.520 14.023 -2.331 1.00 0.02 H new ATOM 0 HH11 ARG A 35 21.435 14.138 -5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.528 15.902 -5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 35 19.642 16.280 -2.355 1.00 0.02 H new ATOM 0 HH22 ARG A 35 20.522 17.103 -3.647 1.00 0.02 H new ATOM 556 N CYS A 36 17.435 8.790 -3.012 1.00 0.02 N ATOM 557 CA CYS A 36 17.441 7.540 -3.841 1.00 0.02 C ATOM 558 C CYS A 36 16.743 7.831 -5.172 1.00 0.02 C ATOM 559 O CYS A 36 15.576 8.171 -5.183 1.00 0.02 O ATOM 560 CB CYS A 36 16.679 6.442 -3.095 1.00 0.02 C ATOM 561 SG CYS A 36 15.210 7.164 -2.324 1.00 0.02 S ATOM 0 H CYS A 36 16.591 9.356 -3.096 1.00 0.02 H new ATOM 0 HA CYS A 36 18.465 7.213 -4.023 1.00 0.02 H new ATOM 0 HB2 CYS A 36 16.391 5.649 -3.785 1.00 0.02 H new ATOM 0 HB3 CYS A 36 17.318 5.989 -2.337 1.00 0.02 H new ATOM 0 HG CYS A 36 15.063 8.389 -2.733 1.00 0.02 H new ATOM 567 N ASN A 37 17.429 7.744 -6.296 1.00 0.02 N ATOM 568 CA ASN A 37 16.765 8.071 -7.607 1.00 0.01 C ATOM 569 C ASN A 37 16.529 6.812 -8.445 1.00 0.02 C ATOM 570 O ASN A 37 15.963 6.861 -9.520 1.00 0.02 O ATOM 571 CB ASN A 37 17.640 9.044 -8.402 1.00 0.02 C ATOM 572 CG ASN A 37 17.915 10.290 -7.558 1.00 0.01 C ATOM 573 OD1 ASN A 37 18.289 10.188 -6.407 1.00 0.03 O ATOM 574 ND2 ASN A 37 17.742 11.470 -8.085 1.00 0.02 N ATOM 0 H ASN A 37 18.408 7.464 -6.362 1.00 0.02 H new ATOM 0 HA ASN A 37 15.799 8.526 -7.387 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.579 8.564 -8.677 1.00 0.02 H new ATOM 0 HB3 ASN A 37 17.141 9.323 -9.330 1.00 0.02 H new ATOM 0 HD21 ASN A 37 17.921 12.307 -7.531 1.00 0.02 H new ATOM 0 HD22 ASN A 37 17.428 11.556 -9.052 1.00 0.02 H new ATOM 581 N SER A 38 16.928 5.679 -7.941 1.00 0.02 N ATOM 582 CA SER A 38 16.709 4.398 -8.671 1.00 0.02 C ATOM 583 C SER A 38 16.695 3.276 -7.639 1.00 0.01 C ATOM 584 O SER A 38 17.268 3.398 -6.574 1.00 0.02 O ATOM 585 CB SER A 38 17.815 4.167 -9.704 1.00 0.01 C ATOM 586 OG SER A 38 19.059 4.598 -9.165 1.00 0.02 O ATOM 0 H SER A 38 17.403 5.584 -7.043 1.00 0.02 H new ATOM 0 HA SER A 38 15.763 4.428 -9.212 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.867 3.111 -9.969 1.00 0.01 H new ATOM 0 HB3 SER A 38 17.593 4.715 -10.620 1.00 0.01 H new ATOM 0 HG SER A 38 19.359 5.402 -9.638 1.00 0.02 H new ATOM 592 N ILE A 39 16.024 2.190 -7.927 1.00 0.02 N ATOM 593 CA ILE A 39 15.948 1.075 -6.930 1.00 0.02 C ATOM 594 C ILE A 39 15.889 -0.278 -7.639 1.00 0.02 C ATOM 595 O ILE A 39 15.328 -0.419 -8.707 1.00 0.02 O ATOM 596 CB ILE A 39 14.670 1.240 -6.099 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.509 2.708 -5.691 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.759 0.370 -4.846 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.312 2.850 -4.748 1.00 0.00 C ATOM 0 H ILE A 39 15.528 2.026 -8.803 1.00 0.02 H new ATOM 0 HA ILE A 39 16.834 1.111 -6.296 1.00 0.02 H new ATOM 0 HB ILE A 39 13.810 0.933 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.416 3.061 -5.200 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.364 3.328 -6.576 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.850 0.488 -4.256 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.871 -0.675 -5.136 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.620 0.675 -4.251 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.199 3.895 -4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.408 2.514 -5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.476 2.243 -3.858 1.00 0.00 H new ATOM 611 N ARG A 40 16.439 -1.285 -7.008 1.00 0.02 N ATOM 612 CA ARG A 40 16.400 -2.668 -7.568 1.00 0.02 C ATOM 613 C ARG A 40 15.794 -3.590 -6.506 1.00 0.01 C ATOM 614 O ARG A 40 16.295 -3.675 -5.403 1.00 0.02 O ATOM 615 CB ARG A 40 17.808 -3.159 -7.917 1.00 0.01 C ATOM 616 CG ARG A 40 17.749 -4.629 -8.337 1.00 0.02 C ATOM 617 CD ARG A 40 19.060 -5.023 -9.019 1.00 0.02 C ATOM 618 NE ARG A 40 18.957 -6.422 -9.523 1.00 0.02 N ATOM 619 CZ ARG A 40 19.825 -6.870 -10.389 1.00 0.02 C ATOM 620 NH1 ARG A 40 20.782 -6.092 -10.817 1.00 0.02 N ATOM 621 NH2 ARG A 40 19.738 -8.096 -10.829 1.00 0.02 N ATOM 0 H ARG A 40 16.921 -1.204 -6.113 1.00 0.02 H new ATOM 0 HA ARG A 40 15.803 -2.672 -8.480 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.225 -2.556 -8.724 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.468 -3.042 -7.058 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.578 -5.260 -7.465 1.00 0.02 H new ATOM 0 HG3 ARG A 40 16.912 -4.790 -9.016 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.272 -4.343 -9.844 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.888 -4.939 -8.315 1.00 0.02 H new ATOM 0 HE ARG A 40 18.208 -7.030 -9.191 1.00 0.02 H new ATOM 0 HH11 ARG A 40 20.852 -5.134 -10.475 1.00 0.02 H new ATOM 0 HH12 ARG A 40 21.460 -6.442 -11.494 1.00 0.02 H new ATOM 0 HH21 ARG A 40 18.991 -8.705 -10.496 1.00 0.02 H new ATOM 0 HH22 ARG A 40 20.417 -8.444 -11.506 1.00 0.02 H new ATOM 635 N VAL A 41 14.758 -4.322 -6.834 1.00 0.02 N ATOM 636 CA VAL A 41 14.173 -5.282 -5.848 1.00 0.01 C ATOM 637 C VAL A 41 14.599 -6.677 -6.289 1.00 0.02 C ATOM 638 O VAL A 41 14.239 -7.129 -7.357 1.00 0.02 O ATOM 639 CB VAL A 41 12.650 -5.153 -5.822 1.00 0.01 C ATOM 640 CG1 VAL A 41 12.088 -6.027 -4.694 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.281 -3.695 -5.545 1.00 0.00 C ATOM 0 H VAL A 41 14.293 -4.296 -7.741 1.00 0.02 H new ATOM 0 HA VAL A 41 14.526 -5.077 -4.837 1.00 0.01 H new ATOM 0 HB VAL A 41 12.237 -5.471 -6.779 1.00 0.01 H new ATOM 0 HG11 VAL A 41 11.002 -5.938 -4.672 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.363 -7.067 -4.868 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.499 -5.698 -3.740 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.196 -3.592 -5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.693 -3.392 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.691 -3.060 -6.331 1.00 0.00 H new ATOM 651 N GLU A 42 15.398 -7.348 -5.496 1.00 0.01 N ATOM 652 CA GLU A 42 15.885 -8.696 -5.896 1.00 0.01 C ATOM 653 C GLU A 42 14.858 -9.753 -5.519 1.00 0.02 C ATOM 654 O GLU A 42 14.699 -10.739 -6.212 1.00 0.01 O ATOM 655 CB GLU A 42 17.213 -8.989 -5.193 1.00 0.99 C ATOM 656 CG GLU A 42 18.329 -8.170 -5.846 1.00 1.86 C ATOM 657 CD GLU A 42 18.664 -8.763 -7.215 1.00 3.10 C ATOM 658 OE1 GLU A 42 18.106 -9.796 -7.545 1.00 3.81 O ATOM 659 OE2 GLU A 42 19.474 -8.173 -7.912 1.00 3.67 O ATOM 0 H GLU A 42 15.731 -7.017 -4.591 1.00 0.01 H new ATOM 0 HA GLU A 42 16.034 -8.718 -6.976 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.138 -8.742 -4.134 1.00 0.99 H new ATOM 0 HB3 GLU A 42 17.443 -10.053 -5.257 1.00 0.99 H new ATOM 0 HG2 GLU A 42 18.016 -7.131 -5.955 1.00 1.86 H new ATOM 0 HG3 GLU A 42 19.215 -8.171 -5.211 1.00 1.86 H new ATOM 666 N GLY A 43 14.162 -9.582 -4.429 1.00 0.01 N ATOM 667 CA GLY A 43 13.167 -10.622 -4.053 1.00 0.02 C ATOM 668 C GLY A 43 12.198 -10.090 -3.004 1.00 0.02 C ATOM 669 O GLY A 43 12.554 -9.244 -2.208 1.00 0.02 O ATOM 0 H GLY A 43 14.236 -8.786 -3.796 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.614 -10.939 -4.937 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.682 -11.501 -3.666 1.00 0.02 H new ATOM 673 N GLY A 44 10.994 -10.596 -2.984 1.00 0.00 N ATOM 674 CA GLY A 44 10.009 -10.134 -1.968 1.00 0.01 C ATOM 675 C GLY A 44 9.301 -8.868 -2.455 1.00 0.01 C ATOM 676 O GLY A 44 9.682 -8.263 -3.437 1.00 0.01 O ATOM 0 H GLY A 44 10.652 -11.309 -3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.277 -10.919 -1.778 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.516 -9.935 -1.024 1.00 0.01 H new ATOM 680 N THR A 45 8.290 -8.452 -1.740 1.00 0.01 N ATOM 681 CA THR A 45 7.547 -7.204 -2.100 1.00 0.00 C ATOM 682 C THR A 45 7.708 -6.225 -0.938 1.00 0.01 C ATOM 683 O THR A 45 7.617 -6.615 0.209 1.00 0.01 O ATOM 684 CB THR A 45 6.060 -7.539 -2.294 1.00 0.73 C ATOM 685 OG1 THR A 45 5.905 -8.330 -3.463 1.00 0.88 O ATOM 686 CG2 THR A 45 5.243 -6.251 -2.438 1.00 1.48 C ATOM 0 H THR A 45 7.941 -8.930 -0.909 1.00 0.01 H new ATOM 0 HA THR A 45 7.933 -6.770 -3.023 1.00 0.00 H new ATOM 0 HB THR A 45 5.702 -8.090 -1.424 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.957 -8.547 -3.588 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.191 -6.501 -2.575 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.358 -5.645 -1.539 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.598 -5.690 -3.302 1.00 1.48 H new ATOM 694 N TRP A 46 8.022 -4.977 -1.207 1.00 0.02 N ATOM 695 CA TRP A 46 8.264 -4.008 -0.087 1.00 0.01 C ATOM 696 C TRP A 46 7.416 -2.744 -0.224 1.00 0.01 C ATOM 697 O TRP A 46 7.048 -2.316 -1.299 1.00 0.01 O ATOM 698 CB TRP A 46 9.739 -3.603 -0.102 1.00 0.00 C ATOM 699 CG TRP A 46 10.591 -4.820 0.044 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.749 -5.776 -0.900 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.404 -5.227 1.181 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.604 -6.747 -0.412 1.00 0.00 N ATOM 703 CE2 TRP A 46 12.035 -6.453 0.866 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.652 -4.656 2.443 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.883 -7.092 1.771 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.505 -5.298 3.356 1.00 0.02 C ATOM 707 CH2 TRP A 46 13.118 -6.512 3.021 1.00 0.01 C ATOM 0 H TRP A 46 8.120 -4.590 -2.146 1.00 0.02 H new ATOM 0 HA TRP A 46 7.990 -4.500 0.846 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.977 -3.089 -1.034 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.943 -2.904 0.709 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.284 -5.780 -1.875 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.882 -7.579 -0.933 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.184 -3.720 2.711 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.354 -8.027 1.508 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.689 -4.853 4.322 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.772 -7.000 3.728 1.00 0.01 H new ATOM 718 N ALA A 47 7.170 -2.117 0.896 1.00 0.01 N ATOM 719 CA ALA A 47 6.421 -0.829 0.924 1.00 0.01 C ATOM 720 C ALA A 47 7.454 0.233 1.284 1.00 0.01 C ATOM 721 O ALA A 47 8.225 0.065 2.207 1.00 0.01 O ATOM 722 CB ALA A 47 5.319 -0.883 1.985 1.00 0.24 C ATOM 0 H ALA A 47 7.464 -2.453 1.813 1.00 0.01 H new ATOM 0 HA ALA A 47 5.939 -0.616 -0.030 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.778 0.063 1.997 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.628 -1.693 1.751 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.765 -1.058 2.964 1.00 0.24 H new ATOM 728 N VAL A 48 7.460 1.335 0.576 1.00 0.01 N ATOM 729 CA VAL A 48 8.428 2.434 0.884 1.00 0.02 C ATOM 730 C VAL A 48 7.656 3.674 1.329 1.00 0.01 C ATOM 731 O VAL A 48 6.600 3.970 0.799 1.00 0.01 O ATOM 732 CB VAL A 48 9.266 2.755 -0.355 1.00 0.09 C ATOM 733 CG1 VAL A 48 10.065 1.514 -0.760 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.343 3.167 -1.504 1.00 0.65 C ATOM 0 H VAL A 48 6.833 1.522 -0.206 1.00 0.01 H new ATOM 0 HA VAL A 48 9.096 2.116 1.684 1.00 0.02 H new ATOM 0 HB VAL A 48 9.951 3.573 -0.131 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.664 1.739 -1.643 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.722 1.221 0.059 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.379 0.697 -0.985 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.940 3.396 -2.387 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.658 2.350 -1.731 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.772 4.049 -1.214 1.00 0.65 H new ATOM 744 N TYR A 49 8.166 4.394 2.304 1.00 0.01 N ATOM 745 CA TYR A 49 7.461 5.618 2.804 1.00 0.01 C ATOM 746 C TYR A 49 8.363 6.837 2.630 1.00 0.01 C ATOM 747 O TYR A 49 9.573 6.770 2.765 1.00 0.02 O ATOM 748 CB TYR A 49 7.118 5.436 4.284 1.00 0.01 C ATOM 749 CG TYR A 49 6.096 4.334 4.427 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.502 2.996 4.388 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.741 4.650 4.600 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.557 1.973 4.521 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.796 3.628 4.732 1.00 0.01 C ATOM 754 CZ TYR A 49 4.203 2.288 4.694 1.00 0.02 C ATOM 755 OH TYR A 49 3.271 1.280 4.823 1.00 0.01 O ATOM 0 H TYR A 49 9.045 4.184 2.776 1.00 0.01 H new ATOM 0 HA TYR A 49 6.544 5.768 2.235 1.00 0.01 H new ATOM 0 HB2 TYR A 49 8.017 5.190 4.850 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.727 6.366 4.696 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.546 2.752 4.255 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.427 5.683 4.631 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.871 0.940 4.490 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.752 3.872 4.863 1.00 0.01 H new ATOM 0 HH TYR A 49 2.380 1.671 4.937 1.00 0.01 H new ATOM 765 N GLU A 50 7.757 7.944 2.291 1.00 0.01 N ATOM 766 CA GLU A 50 8.515 9.202 2.035 1.00 0.01 C ATOM 767 C GLU A 50 9.203 9.719 3.300 1.00 0.01 C ATOM 768 O GLU A 50 10.267 10.301 3.221 1.00 0.02 O ATOM 769 CB GLU A 50 7.533 10.259 1.530 1.00 0.02 C ATOM 770 CG GLU A 50 8.273 11.581 1.314 1.00 0.01 C ATOM 771 CD GLU A 50 7.392 12.530 0.498 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.951 12.129 -0.566 1.00 0.01 O ATOM 773 OE2 GLU A 50 7.174 13.642 0.951 1.00 0.02 O ATOM 0 H GLU A 50 6.747 8.030 2.179 1.00 0.01 H new ATOM 0 HA GLU A 50 9.290 8.997 1.296 1.00 0.01 H new ATOM 0 HB2 GLU A 50 7.075 9.929 0.597 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.726 10.395 2.250 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.521 12.033 2.275 1.00 0.01 H new ATOM 0 HG3 GLU A 50 9.214 11.403 0.793 1.00 0.01 H new ATOM 780 N ARG A 51 8.611 9.548 4.463 1.00 0.02 N ATOM 781 CA ARG A 51 9.249 10.074 5.718 1.00 0.02 C ATOM 782 C ARG A 51 9.406 8.923 6.733 1.00 0.01 C ATOM 783 O ARG A 51 8.713 7.923 6.645 1.00 0.02 O ATOM 784 CB ARG A 51 8.322 11.168 6.300 1.00 0.02 C ATOM 785 CG ARG A 51 8.781 12.557 5.835 1.00 0.01 C ATOM 786 CD ARG A 51 7.860 13.624 6.429 1.00 0.02 C ATOM 787 NE ARG A 51 6.442 13.279 6.130 1.00 0.02 N ATOM 788 CZ ARG A 51 5.476 13.869 6.779 1.00 0.02 C ATOM 789 NH1 ARG A 51 5.753 14.759 7.691 1.00 0.02 N ATOM 790 NH2 ARG A 51 4.234 13.569 6.517 1.00 0.01 N ATOM 0 H ARG A 51 7.720 9.070 4.597 1.00 0.02 H new ATOM 0 HA ARG A 51 10.234 10.490 5.505 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.295 10.991 5.981 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.331 11.120 7.389 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.810 12.735 6.147 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.764 12.612 4.747 1.00 0.01 H new ATOM 0 HD2 ARG A 51 8.010 13.690 7.507 1.00 0.02 H new ATOM 0 HD3 ARG A 51 8.103 14.602 6.013 1.00 0.02 H new ATOM 0 HE ARG A 51 6.226 12.581 5.418 1.00 0.02 H new ATOM 0 HH11 ARG A 51 6.724 14.993 7.896 1.00 0.02 H new ATOM 0 HH12 ARG A 51 4.998 15.221 8.199 1.00 0.02 H new ATOM 0 HH21 ARG A 51 4.017 12.872 5.804 1.00 0.01 H new ATOM 0 HH22 ARG A 51 3.480 14.031 7.025 1.00 0.01 H new ATOM 804 N PRO A 52 10.314 9.064 7.690 1.00 0.02 N ATOM 805 CA PRO A 52 10.547 8.003 8.713 1.00 0.02 C ATOM 806 C PRO A 52 9.264 7.582 9.437 1.00 0.01 C ATOM 807 O PRO A 52 8.244 8.237 9.384 1.00 0.02 O ATOM 808 CB PRO A 52 11.555 8.670 9.677 1.00 0.02 C ATOM 809 CG PRO A 52 11.781 10.123 9.217 1.00 0.01 C ATOM 810 CD PRO A 52 11.173 10.281 7.816 1.00 0.01 C ATOM 0 HA PRO A 52 10.912 7.075 8.274 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.173 8.651 10.698 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.497 8.122 9.679 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.316 10.820 9.914 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.846 10.355 9.198 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.591 11.198 7.729 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.941 10.316 7.043 1.00 0.01 H new ATOM 818 N ASN A 53 9.356 6.485 10.139 1.00 0.02 N ATOM 819 CA ASN A 53 8.202 5.971 10.925 1.00 0.02 C ATOM 820 C ASN A 53 7.033 5.604 10.012 1.00 0.01 C ATOM 821 O ASN A 53 5.879 5.783 10.348 1.00 0.01 O ATOM 822 CB ASN A 53 7.764 7.038 11.934 1.00 0.01 C ATOM 823 CG ASN A 53 6.911 6.395 13.031 1.00 0.02 C ATOM 824 OD1 ASN A 53 6.596 5.223 12.964 1.00 0.02 O ATOM 825 ND2 ASN A 53 6.525 7.117 14.047 1.00 0.01 N ATOM 0 H ASN A 53 10.199 5.914 10.201 1.00 0.02 H new ATOM 0 HA ASN A 53 8.512 5.068 11.451 1.00 0.02 H new ATOM 0 HB2 ASN A 53 8.639 7.516 12.374 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.195 7.818 11.428 1.00 0.01 H new ATOM 0 HD21 ASN A 53 5.959 6.698 14.785 1.00 0.01 H new ATOM 0 HD22 ASN A 53 6.789 8.101 14.103 1.00 0.01 H new ATOM 832 N PHE A 54 7.338 5.063 8.863 1.00 0.02 N ATOM 833 CA PHE A 54 6.275 4.642 7.912 1.00 0.01 C ATOM 834 C PHE A 54 5.197 5.721 7.790 1.00 0.01 C ATOM 835 O PHE A 54 4.018 5.464 7.934 1.00 0.02 O ATOM 836 CB PHE A 54 5.654 3.324 8.404 1.00 1.78 C ATOM 837 CG PHE A 54 6.723 2.472 9.053 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.841 2.072 8.312 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.597 2.082 10.394 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.832 1.284 8.909 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.589 1.294 10.990 1.00 3.32 C ATOM 842 CZ PHE A 54 8.707 0.896 10.248 1.00 3.39 C ATOM 0 H PHE A 54 8.291 4.894 8.541 1.00 0.02 H new ATOM 0 HA PHE A 54 6.716 4.495 6.926 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.856 3.530 9.117 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.204 2.788 7.568 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.939 2.371 7.279 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.735 2.389 10.967 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.694 0.975 8.336 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.491 0.993 12.023 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.473 0.290 10.708 1.00 3.39 H new ATOM 852 N SER A 55 5.616 6.936 7.521 1.00 0.02 N ATOM 853 CA SER A 55 4.650 8.076 7.379 1.00 0.02 C ATOM 854 C SER A 55 4.864 8.776 6.034 1.00 0.01 C ATOM 855 O SER A 55 5.876 8.599 5.385 1.00 0.01 O ATOM 856 CB SER A 55 4.889 9.075 8.510 1.00 1.90 C ATOM 857 OG SER A 55 4.420 8.521 9.733 1.00 2.33 O ATOM 0 H SER A 55 6.596 7.190 7.392 1.00 0.02 H new ATOM 0 HA SER A 55 3.630 7.695 7.426 1.00 0.02 H new ATOM 0 HB2 SER A 55 5.951 9.308 8.587 1.00 1.90 H new ATOM 0 HB3 SER A 55 4.372 10.011 8.299 1.00 1.90 H new ATOM 0 HG SER A 55 4.904 7.690 9.922 1.00 2.33 H new ATOM 863 N GLY A 56 3.910 9.565 5.605 1.00 0.02 N ATOM 864 CA GLY A 56 4.044 10.272 4.295 1.00 0.02 C ATOM 865 C GLY A 56 3.506 9.384 3.167 1.00 0.02 C ATOM 866 O GLY A 56 2.752 8.461 3.403 1.00 0.00 O ATOM 0 H GLY A 56 3.042 9.750 6.108 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.495 11.213 4.322 1.00 0.02 H new ATOM 0 HA3 GLY A 56 5.090 10.518 4.109 1.00 0.02 H new ATOM 870 N HIS A 57 3.864 9.666 1.942 1.00 0.02 N ATOM 871 CA HIS A 57 3.345 8.847 0.804 1.00 0.02 C ATOM 872 C HIS A 57 3.863 7.412 0.906 1.00 0.01 C ATOM 873 O HIS A 57 5.014 7.189 1.216 1.00 0.01 O ATOM 874 CB HIS A 57 3.815 9.462 -0.515 1.00 0.00 C ATOM 875 CG HIS A 57 3.540 10.940 -0.505 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.106 11.803 -1.430 1.00 0.01 N ATOM 877 CD2 HIS A 57 2.764 11.723 0.313 1.00 0.01 C ATOM 878 CE1 HIS A 57 3.666 13.043 -1.148 1.00 0.02 C ATOM 879 NE2 HIS A 57 2.845 13.050 -0.094 1.00 0.01 N ATOM 0 H HIS A 57 4.492 10.426 1.679 1.00 0.02 H new ATOM 0 HA HIS A 57 2.256 8.834 0.842 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.881 9.281 -0.654 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.300 8.991 -1.352 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.179 11.363 1.146 1.00 0.01 H new ATOM 0 HE1 HIS A 57 3.943 13.925 -1.706 1.00 0.02 H new ATOM 0 HE2 HIS A 57 2.378 13.856 0.322 1.00 0.01 H new ATOM 887 N MET A 58 3.013 6.441 0.637 1.00 0.02 N ATOM 888 CA MET A 58 3.438 5.002 0.703 1.00 0.02 C ATOM 889 C MET A 58 3.268 4.352 -0.677 1.00 0.01 C ATOM 890 O MET A 58 2.279 4.555 -1.351 1.00 0.01 O ATOM 891 CB MET A 58 2.561 4.264 1.717 1.00 2.61 C ATOM 892 CG MET A 58 1.105 4.293 1.248 1.00 3.46 C ATOM 893 SD MET A 58 0.022 3.810 2.616 1.00 4.50 S ATOM 894 CE MET A 58 0.044 2.027 2.305 1.00 5.01 C ATOM 0 H MET A 58 2.038 6.587 0.373 1.00 0.02 H new ATOM 0 HA MET A 58 4.483 4.945 1.006 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.899 3.233 1.824 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.648 4.732 2.698 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.844 5.292 0.898 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.969 3.615 0.406 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.573 1.521 3.047 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.350 1.827 1.309 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.068 1.659 2.371 1.00 5.01 H new ATOM 904 N TYR A 59 4.236 3.572 -1.096 1.00 0.02 N ATOM 905 CA TYR A 59 4.161 2.895 -2.436 1.00 0.01 C ATOM 906 C TYR A 59 4.572 1.422 -2.302 1.00 0.01 C ATOM 907 O TYR A 59 5.504 1.085 -1.601 1.00 0.02 O ATOM 908 CB TYR A 59 5.117 3.585 -3.406 1.00 0.01 C ATOM 909 CG TYR A 59 4.611 4.974 -3.706 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.653 5.168 -4.707 1.00 0.01 C ATOM 911 CD2 TYR A 59 5.100 6.069 -2.984 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.183 6.457 -4.987 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.631 7.357 -3.263 1.00 0.01 C ATOM 914 CZ TYR A 59 3.673 7.552 -4.265 1.00 0.01 C ATOM 915 OH TYR A 59 3.213 8.823 -4.542 1.00 0.01 O ATOM 0 H TYR A 59 5.083 3.372 -0.564 1.00 0.02 H new ATOM 0 HA TYR A 59 3.138 2.957 -2.808 1.00 0.01 H new ATOM 0 HB2 TYR A 59 6.117 3.636 -2.974 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.197 3.008 -4.327 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.276 4.323 -5.264 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.840 5.919 -2.211 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.443 6.606 -5.759 1.00 0.02 H new ATOM 0 HE2 TYR A 59 5.008 8.201 -2.705 1.00 0.01 H new ATOM 0 HH TYR A 59 3.654 9.467 -3.950 1.00 0.01 H new ATOM 925 N ILE A 60 3.875 0.546 -2.990 1.00 0.02 N ATOM 926 CA ILE A 60 4.196 -0.916 -2.943 1.00 0.01 C ATOM 927 C ILE A 60 5.121 -1.261 -4.119 1.00 0.01 C ATOM 928 O ILE A 60 4.857 -0.886 -5.244 1.00 0.01 O ATOM 929 CB ILE A 60 2.899 -1.724 -3.075 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.814 -1.142 -2.151 1.00 1.35 C ATOM 931 CG2 ILE A 60 3.162 -3.188 -2.718 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.266 -1.182 -0.684 1.00 1.72 C ATOM 0 H ILE A 60 3.086 0.787 -3.590 1.00 0.02 H new ATOM 0 HA ILE A 60 4.685 -1.156 -1.999 1.00 0.01 H new ATOM 0 HB ILE A 60 2.549 -1.666 -4.105 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.597 -0.114 -2.441 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.890 -1.708 -2.267 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.238 -3.758 -2.813 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.912 -3.598 -3.394 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.524 -3.253 -1.692 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.483 -0.766 -0.050 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.459 -2.214 -0.391 1.00 1.72 H new ATOM 0 HD13 ILE A 60 3.177 -0.595 -0.568 1.00 1.72 H new ATOM 944 N LEU A 61 6.214 -1.950 -3.864 1.00 0.01 N ATOM 945 CA LEU A 61 7.180 -2.294 -4.966 1.00 0.01 C ATOM 946 C LEU A 61 7.344 -3.836 -5.095 1.00 0.01 C ATOM 947 O LEU A 61 7.943 -4.455 -4.234 1.00 0.00 O ATOM 948 CB LEU A 61 8.556 -1.657 -4.616 1.00 0.01 C ATOM 949 CG LEU A 61 8.932 -0.561 -5.629 1.00 0.02 C ATOM 950 CD1 LEU A 61 10.075 0.285 -5.065 1.00 0.01 C ATOM 951 CD2 LEU A 61 9.390 -1.206 -6.941 1.00 0.01 C ATOM 0 H LEU A 61 6.479 -2.289 -2.939 1.00 0.01 H new ATOM 0 HA LEU A 61 6.803 -1.911 -5.914 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.519 -1.232 -3.613 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.326 -2.429 -4.607 1.00 0.01 H new ATOM 0 HG LEU A 61 8.062 0.069 -5.814 1.00 0.02 H new ATOM 0 HD11 LEU A 61 10.341 1.061 -5.782 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.758 0.748 -4.130 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.941 -0.351 -4.880 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.655 -0.427 -7.656 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.259 -1.837 -6.752 1.00 0.01 H new ATOM 0 HD23 LEU A 61 8.582 -1.813 -7.349 1.00 0.01 H new ATOM 963 N PRO A 62 6.862 -4.467 -6.162 1.00 0.02 N ATOM 964 CA PRO A 62 7.058 -5.938 -6.330 1.00 0.01 C ATOM 965 C PRO A 62 8.486 -6.240 -6.822 1.00 0.00 C ATOM 966 O PRO A 62 9.219 -5.347 -7.199 1.00 0.02 O ATOM 967 CB PRO A 62 6.007 -6.288 -7.394 1.00 1.47 C ATOM 968 CG PRO A 62 5.617 -4.985 -8.115 1.00 1.29 C ATOM 969 CD PRO A 62 6.089 -3.796 -7.254 1.00 0.82 C ATOM 0 HA PRO A 62 6.944 -6.512 -5.410 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.408 -7.012 -8.103 1.00 1.47 H new ATOM 0 HB3 PRO A 62 5.132 -6.745 -6.931 1.00 1.47 H new ATOM 0 HG2 PRO A 62 6.077 -4.945 -9.102 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.538 -4.942 -8.264 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.710 -3.105 -7.824 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.250 -3.222 -6.862 1.00 0.82 H new ATOM 977 N GLN A 63 8.891 -7.485 -6.815 1.00 0.02 N ATOM 978 CA GLN A 63 10.270 -7.828 -7.275 1.00 0.00 C ATOM 979 C GLN A 63 10.520 -7.289 -8.688 1.00 0.00 C ATOM 980 O GLN A 63 9.662 -7.351 -9.546 1.00 0.02 O ATOM 981 CB GLN A 63 10.429 -9.349 -7.289 1.00 1.27 C ATOM 982 CG GLN A 63 11.861 -9.710 -7.686 1.00 1.67 C ATOM 983 CD GLN A 63 12.081 -11.213 -7.503 1.00 2.43 C ATOM 984 OE1 GLN A 63 11.387 -11.851 -6.737 1.00 4.25 O ATOM 985 NE2 GLN A 63 13.025 -11.809 -8.178 1.00 3.04 N ATOM 0 H GLN A 63 8.326 -8.278 -6.511 1.00 0.02 H new ATOM 0 HA GLN A 63 10.989 -7.375 -6.592 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.199 -9.758 -6.305 1.00 1.27 H new ATOM 0 HB3 GLN A 63 9.723 -9.792 -7.991 1.00 1.27 H new ATOM 0 HG2 GLN A 63 12.043 -9.429 -8.723 1.00 1.67 H new ATOM 0 HG3 GLN A 63 12.570 -9.151 -7.075 1.00 1.67 H new ATOM 0 HE21 GLN A 63 13.608 -11.273 -8.821 1.00 3.04 H new ATOM 0 HE22 GLN A 63 13.180 -12.810 -8.062 1.00 3.04 H new ATOM 994 N GLY A 64 11.694 -6.777 -8.950 1.00 0.02 N ATOM 995 CA GLY A 64 11.981 -6.256 -10.323 1.00 0.01 C ATOM 996 C GLY A 64 13.096 -5.208 -10.277 1.00 0.02 C ATOM 997 O GLY A 64 13.670 -4.932 -9.244 1.00 0.02 O ATOM 0 H GLY A 64 12.460 -6.697 -8.282 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.273 -7.078 -10.976 1.00 0.01 H new ATOM 0 HA3 GLY A 64 11.078 -5.817 -10.748 1.00 0.01 H new ATOM 1001 N GLU A 65 13.408 -4.622 -11.406 1.00 0.02 N ATOM 1002 CA GLU A 65 14.490 -3.586 -11.464 1.00 0.02 C ATOM 1003 C GLU A 65 13.909 -2.254 -11.944 1.00 0.02 C ATOM 1004 O GLU A 65 13.221 -2.182 -12.944 1.00 0.02 O ATOM 1005 CB GLU A 65 15.568 -4.050 -12.448 1.00 0.77 C ATOM 1006 CG GLU A 65 16.833 -3.208 -12.256 1.00 0.49 C ATOM 1007 CD GLU A 65 17.761 -3.393 -13.458 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.347 -3.062 -14.558 1.00 0.71 O ATOM 1009 OE2 GLU A 65 18.870 -3.860 -13.258 1.00 0.96 O ATOM 0 H GLU A 65 12.956 -4.818 -12.299 1.00 0.02 H new ATOM 0 HA GLU A 65 14.920 -3.452 -10.471 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.793 -5.104 -12.287 1.00 0.77 H new ATOM 0 HB3 GLU A 65 15.206 -3.954 -13.472 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.569 -2.156 -12.147 1.00 0.49 H new ATOM 0 HG3 GLU A 65 17.344 -3.505 -11.340 1.00 0.49 H new ATOM 1016 N TYR A 66 14.205 -1.195 -11.231 1.00 0.02 N ATOM 1017 CA TYR A 66 13.713 0.165 -11.608 1.00 0.02 C ATOM 1018 C TYR A 66 14.942 1.074 -11.823 1.00 0.02 C ATOM 1019 O TYR A 66 15.495 1.583 -10.864 1.00 0.02 O ATOM 1020 CB TYR A 66 12.872 0.711 -10.451 1.00 0.01 C ATOM 1021 CG TYR A 66 11.693 -0.204 -10.229 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.844 -1.365 -9.463 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.452 0.103 -10.797 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.753 -2.218 -9.263 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.360 -0.749 -10.599 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.510 -1.911 -9.832 1.00 0.02 C ATOM 1027 OH TYR A 66 8.433 -2.752 -9.634 1.00 0.01 O ATOM 0 H TYR A 66 14.778 -1.218 -10.387 1.00 0.02 H new ATOM 0 HA TYR A 66 13.111 0.128 -12.516 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.475 0.776 -9.545 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.528 1.720 -10.678 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.803 -1.603 -9.026 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.337 0.999 -11.389 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.869 -3.113 -8.670 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.402 -0.511 -11.037 1.00 0.02 H new ATOM 0 HH TYR A 66 7.647 -2.392 -10.096 1.00 0.01 H new ATOM 1037 N PRO A 67 15.396 1.263 -13.052 1.00 0.01 N ATOM 1038 CA PRO A 67 16.601 2.108 -13.299 1.00 0.02 C ATOM 1039 C PRO A 67 16.370 3.604 -13.030 1.00 0.02 C ATOM 1040 O PRO A 67 17.292 4.391 -13.100 1.00 0.02 O ATOM 1041 CB PRO A 67 16.908 1.842 -14.790 1.00 0.02 C ATOM 1042 CG PRO A 67 15.772 0.980 -15.380 1.00 0.02 C ATOM 1043 CD PRO A 67 14.765 0.658 -14.259 1.00 0.01 C ATOM 0 HA PRO A 67 17.420 1.855 -12.626 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.990 2.783 -15.333 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.865 1.330 -14.894 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.276 1.512 -16.192 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.176 0.059 -15.802 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.785 1.091 -14.461 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.621 -0.416 -14.143 1.00 0.01 H new ATOM 1051 N GLU A 68 15.172 4.008 -12.705 1.00 0.01 N ATOM 1052 CA GLU A 68 14.936 5.454 -12.418 1.00 0.01 C ATOM 1053 C GLU A 68 13.682 5.568 -11.551 1.00 0.03 C ATOM 1054 O GLU A 68 12.831 4.702 -11.536 1.00 0.02 O ATOM 1055 CB GLU A 68 14.716 6.225 -13.726 1.00 0.69 C ATOM 1056 CG GLU A 68 16.029 6.305 -14.511 1.00 1.09 C ATOM 1057 CD GLU A 68 15.907 7.365 -15.609 1.00 1.35 C ATOM 1058 OE1 GLU A 68 15.306 8.394 -15.349 1.00 2.02 O ATOM 1059 OE2 GLU A 68 16.418 7.130 -16.691 1.00 1.55 O ATOM 0 H GLU A 68 14.352 3.406 -12.626 1.00 0.01 H new ATOM 0 HA GLU A 68 15.801 5.874 -11.905 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.953 5.730 -14.326 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.350 7.229 -13.510 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.851 6.555 -13.840 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.261 5.335 -14.952 1.00 1.09 H new ATOM 1066 N TYR A 69 13.592 6.622 -10.792 1.00 0.02 N ATOM 1067 CA TYR A 69 12.435 6.784 -9.872 1.00 0.02 C ATOM 1068 C TYR A 69 11.103 6.801 -10.628 1.00 0.01 C ATOM 1069 O TYR A 69 10.117 6.249 -10.179 1.00 0.01 O ATOM 1070 CB TYR A 69 12.612 8.063 -9.047 1.00 0.02 C ATOM 1071 CG TYR A 69 12.642 9.263 -9.964 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.826 9.605 -10.630 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.489 10.036 -10.146 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.856 10.719 -11.477 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.520 11.150 -10.993 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.702 11.491 -11.658 1.00 0.02 C ATOM 1077 OH TYR A 69 12.730 12.589 -12.492 1.00 0.01 O ATOM 0 H TYR A 69 14.273 7.381 -10.769 1.00 0.02 H new ATOM 0 HA TYR A 69 12.407 5.924 -9.203 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.796 8.161 -8.331 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.536 8.010 -8.471 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.716 9.009 -10.490 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.576 9.773 -9.633 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.769 10.983 -11.991 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.631 11.746 -11.133 1.00 0.02 H new ATOM 0 HH TYR A 69 11.846 13.012 -12.506 1.00 0.01 H new ATOM 1087 N GLN A 70 11.061 7.430 -11.772 1.00 0.01 N ATOM 1088 CA GLN A 70 9.796 7.481 -12.556 1.00 0.02 C ATOM 1089 C GLN A 70 9.333 6.065 -12.918 1.00 0.01 C ATOM 1090 O GLN A 70 8.167 5.822 -13.158 1.00 0.02 O ATOM 1091 CB GLN A 70 10.038 8.269 -13.846 1.00 0.01 C ATOM 1092 CG GLN A 70 10.667 9.621 -13.509 1.00 0.01 C ATOM 1093 CD GLN A 70 10.931 10.395 -14.802 1.00 0.02 C ATOM 1094 OE1 GLN A 70 11.530 9.876 -15.723 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.504 11.624 -14.910 1.00 0.02 N ATOM 0 H GLN A 70 11.853 7.912 -12.198 1.00 0.01 H new ATOM 0 HA GLN A 70 9.027 7.964 -11.954 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.694 7.707 -14.510 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.097 8.416 -14.377 1.00 0.01 H new ATOM 0 HG2 GLN A 70 10.003 10.192 -12.860 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.599 9.475 -12.963 1.00 0.01 H new ATOM 0 HE21 GLN A 70 10.001 12.059 -14.136 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.673 12.149 -15.768 1.00 0.02 H new ATOM 1104 N ARG A 71 10.247 5.128 -12.952 1.00 0.01 N ATOM 1105 CA ARG A 71 9.862 3.729 -13.295 1.00 0.02 C ATOM 1106 C ARG A 71 9.058 3.137 -12.135 1.00 0.01 C ATOM 1107 O ARG A 71 8.350 2.161 -12.280 1.00 0.02 O ATOM 1108 CB ARG A 71 11.119 2.885 -13.541 1.00 0.34 C ATOM 1109 CG ARG A 71 10.751 1.579 -14.270 1.00 0.72 C ATOM 1110 CD ARG A 71 10.702 1.812 -15.786 1.00 1.04 C ATOM 1111 NE ARG A 71 10.464 0.516 -16.482 1.00 1.67 N ATOM 1112 CZ ARG A 71 10.084 0.506 -17.730 1.00 2.47 C ATOM 1113 NH1 ARG A 71 9.909 1.631 -18.367 1.00 2.54 N ATOM 1114 NH2 ARG A 71 9.878 -0.628 -18.342 1.00 3.42 N ATOM 0 H ARG A 71 11.238 5.272 -12.758 1.00 0.01 H new ATOM 0 HA ARG A 71 9.257 3.728 -14.202 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.835 3.452 -14.135 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.603 2.656 -12.592 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.483 0.806 -14.037 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.784 1.218 -13.919 1.00 0.72 H new ATOM 0 HD2 ARG A 71 9.909 2.519 -16.030 1.00 1.04 H new ATOM 0 HD3 ARG A 71 11.639 2.253 -16.127 1.00 1.04 H new ATOM 0 HE ARG A 71 10.598 -0.363 -15.983 1.00 1.67 H new ATOM 0 HH11 ARG A 71 10.069 2.518 -17.889 1.00 2.54 H new ATOM 0 HH12 ARG A 71 9.612 1.624 -19.343 1.00 2.54 H new ATOM 0 HH21 ARG A 71 10.014 -1.508 -17.845 1.00 3.42 H new ATOM 0 HH22 ARG A 71 9.581 -0.634 -19.318 1.00 3.42 H new ATOM 1128 N TRP A 72 9.173 3.743 -10.984 1.00 0.02 N ATOM 1129 CA TRP A 72 8.437 3.268 -9.774 1.00 0.01 C ATOM 1130 C TRP A 72 7.324 4.284 -9.485 1.00 0.01 C ATOM 1131 O TRP A 72 6.674 4.252 -8.461 1.00 0.02 O ATOM 1132 CB TRP A 72 9.461 3.172 -8.616 1.00 0.02 C ATOM 1133 CG TRP A 72 8.845 3.465 -7.282 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.858 2.749 -6.699 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.178 4.537 -6.354 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.559 3.317 -5.473 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.346 4.424 -5.216 1.00 0.02 C ATOM 1138 CE3 TRP A 72 10.111 5.590 -6.392 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.438 5.323 -4.152 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.206 6.496 -5.323 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.371 6.363 -4.205 1.00 0.02 C ATOM 0 H TRP A 72 9.758 4.564 -10.827 1.00 0.02 H new ATOM 0 HA TRP A 72 7.980 2.288 -9.909 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.895 2.172 -8.601 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.277 3.871 -8.798 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.381 1.877 -7.121 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.845 2.962 -4.837 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.758 5.702 -7.249 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.792 5.216 -3.293 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.926 7.300 -5.363 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.448 7.063 -3.386 1.00 0.02 H new ATOM 1152 N MET A 73 7.106 5.183 -10.404 1.00 0.02 N ATOM 1153 CA MET A 73 6.046 6.217 -10.227 1.00 0.02 C ATOM 1154 C MET A 73 6.338 7.079 -8.990 1.00 0.01 C ATOM 1155 O MET A 73 5.456 7.693 -8.423 1.00 0.02 O ATOM 1156 CB MET A 73 4.684 5.533 -10.065 1.00 0.02 C ATOM 1157 CG MET A 73 4.562 4.385 -11.070 1.00 0.01 C ATOM 1158 SD MET A 73 2.828 3.882 -11.204 1.00 0.01 S ATOM 1159 CE MET A 73 3.057 2.604 -12.464 1.00 0.01 C ATOM 0 H MET A 73 7.623 5.247 -11.281 1.00 0.02 H new ATOM 0 HA MET A 73 6.032 6.859 -11.107 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.575 5.153 -9.049 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.882 6.255 -10.223 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.937 4.699 -12.044 1.00 0.01 H new ATOM 0 HG3 MET A 73 5.173 3.541 -10.750 1.00 0.01 H new ATOM 0 HE1 MET A 73 2.094 2.152 -12.703 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.481 3.051 -13.363 1.00 0.01 H new ATOM 0 HE3 MET A 73 3.734 1.838 -12.086 1.00 0.01 H new ATOM 1169 N GLY A 74 7.577 7.124 -8.574 1.00 0.02 N ATOM 1170 CA GLY A 74 7.933 7.937 -7.379 1.00 0.02 C ATOM 1171 C GLY A 74 7.579 9.401 -7.634 1.00 0.01 C ATOM 1172 O GLY A 74 7.730 9.902 -8.730 1.00 0.01 O ATOM 0 H GLY A 74 8.356 6.632 -9.012 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.398 7.570 -6.504 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.997 7.841 -7.165 1.00 0.02 H new ATOM 1176 N LEU A 75 7.147 10.104 -6.624 1.00 0.02 N ATOM 1177 CA LEU A 75 6.832 11.549 -6.814 1.00 0.02 C ATOM 1178 C LEU A 75 8.154 12.327 -6.787 1.00 0.01 C ATOM 1179 O LEU A 75 8.312 13.331 -7.452 1.00 0.02 O ATOM 1180 CB LEU A 75 5.901 12.031 -5.691 1.00 0.55 C ATOM 1181 CG LEU A 75 5.423 13.470 -5.976 1.00 0.58 C ATOM 1182 CD1 LEU A 75 4.233 13.458 -6.944 1.00 0.98 C ATOM 1183 CD2 LEU A 75 4.989 14.135 -4.665 1.00 0.42 C ATOM 0 H LEU A 75 6.999 9.744 -5.681 1.00 0.02 H new ATOM 0 HA LEU A 75 6.325 11.710 -7.765 1.00 0.02 H new ATOM 0 HB2 LEU A 75 5.043 11.364 -5.609 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.424 11.996 -4.735 1.00 0.55 H new ATOM 0 HG LEU A 75 6.246 14.026 -6.425 1.00 0.58 H new ATOM 0 HD11 LEU A 75 3.908 14.481 -7.134 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.532 12.992 -7.883 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.412 12.893 -6.504 1.00 0.98 H new ATOM 0 HD21 LEU A 75 4.651 15.152 -4.867 1.00 0.42 H new ATOM 0 HD22 LEU A 75 4.174 13.564 -4.220 1.00 0.42 H new ATOM 0 HD23 LEU A 75 5.832 14.163 -3.975 1.00 0.42 H new ATOM 1195 N ASN A 76 9.116 11.843 -6.041 1.00 0.01 N ATOM 1196 CA ASN A 76 10.452 12.489 -5.964 1.00 0.02 C ATOM 1197 C ASN A 76 11.434 11.407 -5.507 1.00 0.02 C ATOM 1198 O ASN A 76 11.081 10.245 -5.441 1.00 0.02 O ATOM 1199 CB ASN A 76 10.423 13.642 -4.957 1.00 0.02 C ATOM 1200 CG ASN A 76 9.633 14.814 -5.543 1.00 0.02 C ATOM 1201 OD1 ASN A 76 8.330 14.799 -5.487 1.00 0.01 O flip ATOM 1202 ND2 ASN A 76 10.209 15.751 -6.057 1.00 0.02 N flip ATOM 0 H ASN A 76 9.023 11.004 -5.469 1.00 0.01 H new ATOM 0 HA ASN A 76 10.747 12.903 -6.928 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.966 13.312 -4.024 1.00 0.02 H new ATOM 0 HB3 ASN A 76 11.439 13.957 -4.720 1.00 0.02 H new ATOM 0 HD21 ASN A 76 11.228 15.762 -6.100 1.00 0.02 H new ATOM 0 HD22 ASN A 76 9.674 16.528 -6.446 1.00 0.02 H new ATOM 1209 N ASP A 77 12.659 11.750 -5.204 1.00 0.01 N ATOM 1210 CA ASP A 77 13.644 10.703 -4.770 1.00 0.01 C ATOM 1211 C ASP A 77 13.750 10.663 -3.241 1.00 0.01 C ATOM 1212 O ASP A 77 14.787 10.326 -2.703 1.00 0.01 O ATOM 1213 CB ASP A 77 15.019 11.038 -5.357 1.00 0.01 C ATOM 1214 CG ASP A 77 15.286 12.536 -5.207 1.00 0.01 C ATOM 1215 OD1 ASP A 77 15.604 12.953 -4.105 1.00 0.02 O ATOM 1216 OD2 ASP A 77 15.169 13.240 -6.195 1.00 0.01 O ATOM 0 H ASP A 77 13.023 12.702 -5.236 1.00 0.01 H new ATOM 0 HA ASP A 77 13.304 9.730 -5.125 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.794 10.467 -4.845 1.00 0.01 H new ATOM 0 HB3 ASP A 77 15.056 10.755 -6.409 1.00 0.01 H new ATOM 1221 N ARG A 78 12.705 11.023 -2.530 1.00 0.01 N ATOM 1222 CA ARG A 78 12.779 11.023 -1.032 1.00 0.01 C ATOM 1223 C ARG A 78 12.175 9.738 -0.446 1.00 0.02 C ATOM 1224 O ARG A 78 11.016 9.434 -0.649 1.00 0.02 O ATOM 1225 CB ARG A 78 12.021 12.242 -0.492 1.00 0.43 C ATOM 1226 CG ARG A 78 12.319 12.434 1.009 1.00 0.80 C ATOM 1227 CD ARG A 78 13.600 13.260 1.196 1.00 1.00 C ATOM 1228 NE ARG A 78 13.796 13.544 2.646 1.00 1.30 N ATOM 1229 CZ ARG A 78 14.951 13.974 3.077 1.00 2.30 C ATOM 1230 NH1 ARG A 78 15.934 14.151 2.239 1.00 2.72 N ATOM 1231 NH2 ARG A 78 15.120 14.225 4.347 1.00 3.20 N ATOM 0 H ARG A 78 11.809 11.315 -2.920 1.00 0.01 H new ATOM 0 HA ARG A 78 13.827 11.070 -0.735 1.00 0.01 H new ATOM 0 HB2 ARG A 78 12.313 13.135 -1.045 1.00 0.43 H new ATOM 0 HB3 ARG A 78 10.950 12.109 -0.643 1.00 0.43 H new ATOM 0 HG2 ARG A 78 11.481 12.936 1.492 1.00 0.80 H new ATOM 0 HG3 ARG A 78 12.430 11.463 1.492 1.00 0.80 H new ATOM 0 HD2 ARG A 78 14.458 12.716 0.801 1.00 1.00 H new ATOM 0 HD3 ARG A 78 13.529 14.193 0.637 1.00 1.00 H new ATOM 0 HE ARG A 78 13.028 13.402 3.302 1.00 1.30 H new ATOM 0 HH11 ARG A 78 15.800 13.954 1.247 1.00 2.72 H new ATOM 0 HH12 ARG A 78 16.837 14.487 2.575 1.00 2.72 H new ATOM 0 HH21 ARG A 78 14.350 14.085 5.001 1.00 3.20 H new ATOM 0 HH22 ARG A 78 16.022 14.561 4.685 1.00 3.20 H new ATOM 1245 N LEU A 79 12.946 9.010 0.320 1.00 0.01 N ATOM 1246 CA LEU A 79 12.431 7.767 0.979 1.00 0.01 C ATOM 1247 C LEU A 79 13.052 7.697 2.374 1.00 0.01 C ATOM 1248 O LEU A 79 14.259 7.686 2.518 1.00 0.02 O ATOM 1249 CB LEU A 79 12.844 6.521 0.185 1.00 1.04 C ATOM 1250 CG LEU A 79 12.034 6.414 -1.120 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.493 5.173 -1.896 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.522 6.300 -0.811 1.00 2.61 C ATOM 0 H LEU A 79 13.923 9.225 0.521 1.00 0.01 H new ATOM 0 HA LEU A 79 11.342 7.797 1.027 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.909 6.566 -0.045 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.686 5.629 0.791 1.00 1.04 H new ATOM 0 HG LEU A 79 12.201 7.311 -1.717 1.00 1.85 H new ATOM 0 HD11 LEU A 79 11.923 5.091 -2.822 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.554 5.262 -2.130 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.329 4.283 -1.289 1.00 2.40 H new ATOM 0 HD21 LEU A 79 9.964 6.225 -1.745 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.340 5.411 -0.207 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.195 7.184 -0.263 1.00 2.61 H new ATOM 1264 N GLY A 80 12.243 7.693 3.408 1.00 0.02 N ATOM 1265 CA GLY A 80 12.787 7.676 4.804 1.00 0.02 C ATOM 1266 C GLY A 80 12.584 6.320 5.489 1.00 0.02 C ATOM 1267 O GLY A 80 13.241 6.027 6.468 1.00 0.01 O ATOM 0 H GLY A 80 11.225 7.701 3.344 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.851 7.913 4.780 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.300 8.454 5.391 1.00 0.02 H new ATOM 1271 N SER A 81 11.696 5.480 5.018 1.00 0.01 N ATOM 1272 CA SER A 81 11.511 4.165 5.714 1.00 0.01 C ATOM 1273 C SER A 81 10.938 3.124 4.756 1.00 0.02 C ATOM 1274 O SER A 81 10.299 3.438 3.772 1.00 0.01 O ATOM 1275 CB SER A 81 10.557 4.349 6.891 1.00 0.01 C ATOM 1276 OG SER A 81 10.182 3.075 7.394 1.00 0.01 O ATOM 0 H SER A 81 11.104 5.639 4.203 1.00 0.01 H new ATOM 0 HA SER A 81 12.481 3.816 6.069 1.00 0.01 H new ATOM 0 HB2 SER A 81 11.037 4.935 7.675 1.00 0.01 H new ATOM 0 HB3 SER A 81 9.673 4.903 6.574 1.00 0.01 H new ATOM 0 HG SER A 81 9.350 3.157 7.906 1.00 0.01 H new ATOM 1282 N CYS A 82 11.171 1.867 5.048 1.00 0.02 N ATOM 1283 CA CYS A 82 10.648 0.779 4.167 1.00 0.01 C ATOM 1284 C CYS A 82 10.273 -0.448 5.005 1.00 0.01 C ATOM 1285 O CYS A 82 10.884 -0.735 6.014 1.00 0.01 O ATOM 1286 CB CYS A 82 11.717 0.388 3.142 1.00 0.01 C ATOM 1287 SG CYS A 82 13.302 0.154 3.982 1.00 0.02 S ATOM 0 H CYS A 82 11.701 1.549 5.859 1.00 0.02 H new ATOM 0 HA CYS A 82 9.760 1.142 3.650 1.00 0.01 H new ATOM 0 HB2 CYS A 82 11.426 -0.529 2.629 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.808 1.163 2.381 1.00 0.01 H new ATOM 0 HG CYS A 82 14.209 -0.180 3.112 1.00 0.02 H new ATOM 1293 N ARG A 83 9.276 -1.181 4.577 1.00 0.01 N ATOM 1294 CA ARG A 83 8.848 -2.406 5.327 1.00 0.01 C ATOM 1295 C ARG A 83 8.560 -3.528 4.330 1.00 0.01 C ATOM 1296 O ARG A 83 8.036 -3.304 3.257 1.00 0.01 O ATOM 1297 CB ARG A 83 7.557 -2.118 6.096 1.00 0.01 C ATOM 1298 CG ARG A 83 7.837 -1.124 7.224 1.00 0.01 C ATOM 1299 CD ARG A 83 6.513 -0.591 7.780 1.00 0.01 C ATOM 1300 NE ARG A 83 5.507 -1.689 7.820 1.00 0.01 N ATOM 1301 CZ ARG A 83 4.421 -1.553 8.531 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.220 -0.457 9.210 1.00 0.01 N ATOM 1303 NH2 ARG A 83 3.538 -2.513 8.561 1.00 0.01 N ATOM 0 H ARG A 83 8.735 -0.984 3.735 1.00 0.01 H new ATOM 0 HA ARG A 83 9.641 -2.694 6.017 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.803 -1.713 5.421 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.153 -3.044 6.506 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.407 -1.609 8.017 1.00 0.01 H new ATOM 0 HG3 ARG A 83 8.445 -0.299 6.853 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.664 -0.187 8.781 1.00 0.01 H new ATOM 0 HD3 ARG A 83 6.149 0.226 7.158 1.00 0.01 H new ATOM 0 HE ARG A 83 5.667 -2.547 7.292 1.00 0.01 H new ATOM 0 HH11 ARG A 83 4.911 0.293 9.185 1.00 0.01 H new ATOM 0 HH12 ARG A 83 3.372 -0.350 9.766 1.00 0.01 H new ATOM 0 HH21 ARG A 83 3.697 -3.369 8.029 1.00 0.01 H new ATOM 0 HH22 ARG A 83 2.689 -2.408 9.116 1.00 0.01 H new ATOM 1317 N ALA A 84 8.905 -4.740 4.675 1.00 0.01 N ATOM 1318 CA ALA A 84 8.657 -5.877 3.747 1.00 0.01 C ATOM 1319 C ALA A 84 7.186 -6.293 3.831 1.00 0.01 C ATOM 1320 O ALA A 84 6.641 -6.491 4.898 1.00 0.00 O ATOM 1321 CB ALA A 84 9.535 -7.066 4.145 1.00 0.43 C ATOM 0 H ALA A 84 9.348 -4.990 5.559 1.00 0.01 H new ATOM 0 HA ALA A 84 8.896 -5.568 2.729 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.352 -7.897 3.464 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.585 -6.777 4.091 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.294 -7.371 5.163 1.00 0.43 H new ATOM 1327 N VAL A 85 6.553 -6.446 2.700 1.00 0.01 N ATOM 1328 CA VAL A 85 5.126 -6.872 2.681 1.00 0.01 C ATOM 1329 C VAL A 85 5.071 -8.399 2.618 1.00 0.01 C ATOM 1330 O VAL A 85 5.635 -9.007 1.731 1.00 0.01 O ATOM 1331 CB VAL A 85 4.423 -6.281 1.457 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.915 -6.504 1.579 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.706 -4.778 1.383 1.00 1.12 C ATOM 0 H VAL A 85 6.968 -6.293 1.781 1.00 0.01 H new ATOM 0 HA VAL A 85 4.623 -6.518 3.581 1.00 0.01 H new ATOM 0 HB VAL A 85 4.794 -6.769 0.555 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.413 -6.083 0.708 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.709 -7.573 1.636 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.547 -6.015 2.481 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.206 -4.356 0.511 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.334 -4.293 2.285 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.780 -4.614 1.300 1.00 1.12 H new ATOM 1343 N HIS A 86 4.391 -9.029 3.537 1.00 0.01 N ATOM 1344 CA HIS A 86 4.303 -10.518 3.505 1.00 0.01 C ATOM 1345 C HIS A 86 3.067 -10.908 2.701 1.00 0.01 C ATOM 1346 O HIS A 86 1.990 -10.382 2.897 1.00 0.00 O ATOM 1347 CB HIS A 86 4.168 -11.054 4.933 1.00 0.21 C ATOM 1348 CG HIS A 86 5.315 -10.553 5.767 1.00 0.71 C ATOM 1349 ND1 HIS A 86 6.571 -11.136 5.722 1.00 1.26 N ATOM 1350 CD2 HIS A 86 5.411 -9.524 6.672 1.00 1.20 C ATOM 1351 CE1 HIS A 86 7.363 -10.462 6.576 1.00 1.77 C ATOM 1352 NE2 HIS A 86 6.705 -9.468 7.181 1.00 1.71 N ATOM 0 H HIS A 86 3.894 -8.580 4.306 1.00 0.01 H new ATOM 0 HA HIS A 86 5.200 -10.937 3.049 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.221 -10.731 5.366 1.00 0.21 H new ATOM 0 HB3 HIS A 86 4.159 -12.144 4.924 1.00 0.21 H new ATOM 0 HD2 HIS A 86 4.605 -8.860 6.947 1.00 1.20 H new ATOM 0 HE1 HIS A 86 8.403 -10.696 6.751 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.072 -8.810 7.868 1.00 1.71 H new ATOM 1360 N LEU A 87 3.222 -11.829 1.787 1.00 0.01 N ATOM 1361 CA LEU A 87 2.070 -12.269 0.947 1.00 0.01 C ATOM 1362 C LEU A 87 1.512 -13.570 1.523 1.00 0.01 C ATOM 1363 O LEU A 87 2.252 -14.446 1.923 1.00 0.01 O ATOM 1364 CB LEU A 87 2.559 -12.517 -0.493 1.00 0.67 C ATOM 1365 CG LEU A 87 3.655 -11.513 -0.861 1.00 1.25 C ATOM 1366 CD1 LEU A 87 4.079 -11.739 -2.314 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.122 -10.086 -0.702 1.00 1.34 C ATOM 0 H LEU A 87 4.105 -12.299 1.585 1.00 0.01 H new ATOM 0 HA LEU A 87 1.296 -11.502 0.941 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.942 -13.534 -0.585 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.725 -12.427 -1.189 1.00 0.67 H new ATOM 0 HG LEU A 87 4.512 -11.653 -0.202 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.859 -11.026 -2.580 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.460 -12.754 -2.428 1.00 1.63 H new ATOM 0 HD13 LEU A 87 3.220 -11.598 -2.970 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.904 -9.374 -0.965 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.265 -9.942 -1.360 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.817 -9.925 0.332 1.00 1.34 H new ATOM 1379 N SER A 88 0.212 -13.720 1.534 1.00 0.01 N ATOM 1380 CA SER A 88 -0.415 -14.978 2.041 1.00 0.01 C ATOM 1381 C SER A 88 -1.039 -15.708 0.855 1.00 0.01 C ATOM 1382 O SER A 88 -1.897 -15.160 0.191 1.00 0.01 O ATOM 1383 CB SER A 88 -1.494 -14.632 3.066 1.00 0.81 C ATOM 1384 OG SER A 88 -2.294 -13.568 2.566 1.00 1.08 O ATOM 0 H SER A 88 -0.450 -13.015 1.209 1.00 0.01 H new ATOM 0 HA SER A 88 0.332 -15.612 2.520 1.00 0.01 H new ATOM 0 HB2 SER A 88 -2.114 -15.505 3.267 1.00 0.81 H new ATOM 0 HB3 SER A 88 -1.034 -14.343 4.011 1.00 0.81 H new ATOM 0 HG SER A 88 -2.467 -13.709 1.612 1.00 1.08 H new ATOM 1390 N SER A 89 -0.677 -16.942 0.597 1.00 0.01 N ATOM 1391 CA SER A 89 -1.326 -17.693 -0.529 1.00 0.01 C ATOM 1392 C SER A 89 -2.105 -18.855 0.074 1.00 0.01 C ATOM 1393 O SER A 89 -1.597 -19.546 0.935 1.00 0.01 O ATOM 1394 CB SER A 89 -0.282 -18.266 -1.490 1.00 0.43 C ATOM 1395 OG SER A 89 -0.943 -18.932 -2.557 1.00 1.26 O ATOM 0 H SER A 89 0.035 -17.460 1.112 1.00 0.01 H new ATOM 0 HA SER A 89 -1.971 -17.012 -1.083 1.00 0.01 H new ATOM 0 HB2 SER A 89 0.348 -17.467 -1.880 1.00 0.43 H new ATOM 0 HB3 SER A 89 0.373 -18.960 -0.963 1.00 0.43 H new ATOM 0 HG SER A 89 -0.278 -19.299 -3.176 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.334 -19.080 -0.306 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.077 -20.205 0.358 1.00 0.00 C ATOM 1403 C GLY A 90 -5.266 -20.731 -0.473 1.00 0.00 C ATOM 1404 O GLY A 90 -5.405 -21.926 -0.645 1.00 0.01 O ATOM 0 H GLY A 90 -3.845 -18.560 -1.019 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.385 -21.025 0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.443 -19.866 1.327 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.128 -19.885 -0.998 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.262 -20.422 -1.795 1.00 0.00 C ATOM 1410 C GLY A 91 -7.956 -19.304 -2.581 1.00 0.00 C ATOM 1411 O GLY A 91 -7.452 -18.860 -3.594 1.00 0.01 O ATOM 0 H GLY A 91 -6.091 -18.870 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.899 -21.185 -2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.980 -20.906 -1.133 1.00 0.00 H new ATOM 1415 N GLN A 92 -9.103 -18.848 -2.137 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.831 -17.757 -2.874 1.00 2.31 C ATOM 1417 C GLN A 92 -9.984 -16.527 -1.973 1.00 1.91 C ATOM 1418 O GLN A 92 -10.583 -16.577 -0.917 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.200 -18.287 -3.313 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.843 -17.294 -4.283 1.00 2.86 C ATOM 1421 CD GLN A 92 -13.262 -17.753 -4.618 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -14.053 -18.141 -3.655 1.00 3.99 O flip ATOM 1423 NE2 GLN A 92 -13.656 -17.758 -5.768 1.00 4.43 N flip ATOM 0 H GLN A 92 -9.570 -19.183 -1.294 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.264 -17.458 -3.755 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -11.089 -19.260 -3.792 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.842 -18.431 -2.444 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -11.867 -16.299 -3.839 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.248 -17.222 -5.194 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -13.038 -17.455 -6.520 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.605 -18.065 -5.981 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.404 -15.430 -2.387 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.466 -14.190 -1.557 1.00 0.01 C ATOM 1434 C ALA A 93 -10.919 -13.694 -1.482 1.00 0.01 C ATOM 1435 O ALA A 93 -11.627 -13.696 -2.469 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.586 -13.117 -2.201 1.00 2.99 C ATOM 0 H ALA A 93 -8.890 -15.339 -3.264 1.00 0.01 H new ATOM 0 HA ALA A 93 -9.109 -14.400 -0.549 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.625 -12.207 -1.602 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.557 -13.473 -2.254 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.948 -12.905 -3.207 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.388 -13.318 -0.301 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.834 -12.879 -0.167 1.00 0.01 C ATOM 1444 C LYS A 94 -13.000 -11.584 0.654 1.00 0.01 C ATOM 1445 O LYS A 94 -12.484 -11.441 1.780 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.634 -13.996 0.511 1.00 2.49 C ATOM 1447 CG LYS A 94 -15.131 -13.766 0.293 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.920 -14.880 0.987 1.00 4.11 C ATOM 1449 CE LYS A 94 -17.402 -14.504 1.032 1.00 5.23 C ATOM 1450 NZ LYS A 94 -17.563 -13.203 1.740 1.00 6.36 N ATOM 0 H LYS A 94 -10.845 -13.295 0.562 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.201 -12.676 -1.173 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.342 -14.964 0.103 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.412 -14.019 1.578 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.423 -12.795 0.692 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.357 -13.754 -0.773 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.789 -15.821 0.452 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.542 -15.033 1.998 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -17.801 -14.431 0.020 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -17.970 -15.281 1.543 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -18.562 -13.068 1.996 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -16.981 -13.203 2.602 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -17.258 -12.428 1.117 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.757 -10.642 0.093 1.00 0.00 N ATOM 1465 CA ILE A 95 -14.026 -9.336 0.778 1.00 0.01 C ATOM 1466 C ILE A 95 -15.538 -9.029 0.769 1.00 0.01 C ATOM 1467 O ILE A 95 -16.223 -9.236 -0.217 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.260 -8.225 0.032 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.855 -6.840 0.348 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.353 -8.474 -1.474 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.885 -5.743 -0.097 1.00 1.09 C ATOM 0 H ILE A 95 -14.199 -10.737 -0.821 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.693 -9.389 1.815 1.00 0.01 H new ATOM 0 HB ILE A 95 -12.220 -8.243 0.358 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.811 -6.721 -0.161 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -14.050 -6.754 1.417 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.813 -7.691 -2.006 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.913 -9.443 -1.710 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.399 -8.466 -1.780 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -13.312 -4.766 0.129 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.939 -5.857 0.432 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.712 -5.824 -1.170 1.00 1.09 H new ATOM 1483 N GLN A 96 -16.038 -8.479 1.857 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.486 -8.078 1.945 1.00 0.01 C ATOM 1485 C GLN A 96 -17.531 -6.585 2.311 1.00 0.01 C ATOM 1486 O GLN A 96 -16.773 -6.153 3.150 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.212 -8.946 2.992 1.00 0.53 C ATOM 1488 CG GLN A 96 -18.017 -8.386 4.403 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.465 -9.429 5.428 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -17.758 -10.381 5.693 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -19.620 -9.291 6.021 1.00 2.05 N ATOM 0 H GLN A 96 -15.496 -8.288 2.700 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.997 -8.234 0.995 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -19.276 -8.989 2.758 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -17.834 -9.967 2.947 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.970 -8.129 4.563 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -18.593 -7.469 4.525 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -20.215 -8.492 5.800 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -19.928 -9.982 6.706 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.391 -5.784 1.709 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.420 -4.312 2.049 1.00 0.01 C ATOM 1502 C VAL A 97 -19.819 -3.870 2.511 1.00 0.01 C ATOM 1503 O VAL A 97 -20.829 -4.388 2.070 1.00 0.01 O ATOM 1504 CB VAL A 97 -18.023 -3.518 0.802 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.673 -4.020 0.285 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -19.085 -3.712 -0.282 1.00 1.03 C ATOM 0 H VAL A 97 -19.067 -6.080 1.005 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.723 -4.126 2.866 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.945 -2.460 1.054 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.390 -3.455 -0.603 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.915 -3.886 1.057 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.751 -5.077 0.032 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.805 -3.147 -1.171 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -19.160 -4.770 -0.533 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -20.048 -3.357 0.085 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.870 -2.917 3.427 1.00 0.01 N ATOM 1517 CA PHE A 98 -21.179 -2.424 3.974 1.00 0.01 C ATOM 1518 C PHE A 98 -21.360 -0.921 3.683 1.00 0.01 C ATOM 1519 O PHE A 98 -20.436 -0.120 3.787 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.192 -2.627 5.493 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.413 -4.082 5.835 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -22.714 -4.577 5.997 1.00 0.58 C ATOM 1523 CD2 PHE A 98 -20.315 -4.931 6.023 1.00 0.42 C ATOM 1524 CE1 PHE A 98 -22.915 -5.919 6.345 1.00 0.73 C ATOM 1525 CE2 PHE A 98 -20.517 -6.273 6.366 1.00 0.56 C ATOM 1526 CZ PHE A 98 -21.816 -6.766 6.529 1.00 0.69 C ATOM 0 H PHE A 98 -19.048 -2.458 3.820 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.987 -2.981 3.499 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.248 -2.288 5.918 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.979 -2.020 5.939 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -23.562 -3.924 5.854 1.00 0.58 H new ATOM 0 HD2 PHE A 98 -19.312 -4.550 5.903 1.00 0.42 H new ATOM 0 HE1 PHE A 98 -23.918 -6.300 6.471 1.00 0.73 H new ATOM 0 HE2 PHE A 98 -19.670 -6.928 6.505 1.00 0.56 H new ATOM 0 HZ PHE A 98 -21.971 -7.801 6.797 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.561 -0.551 3.318 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.855 0.877 2.996 1.00 0.01 C ATOM 1538 C GLU A 99 -22.785 1.769 4.244 1.00 0.01 C ATOM 1539 O GLU A 99 -22.430 2.927 4.152 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.256 0.978 2.391 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.570 2.439 2.065 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.806 2.506 1.165 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.878 2.165 1.637 1.00 0.01 O ATOM 1544 OE2 GLU A 99 -25.660 2.897 0.019 1.00 0.02 O ATOM 0 H GLU A 99 -23.357 -1.183 3.229 1.00 0.01 H new ATOM 0 HA GLU A 99 -22.102 1.223 2.288 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.317 0.372 1.487 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.994 0.584 3.090 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.745 2.998 2.984 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.719 2.903 1.567 1.00 0.01 H new ATOM 1551 N LYS A 100 -23.128 1.255 5.409 1.00 0.01 N ATOM 1552 CA LYS A 100 -23.088 2.100 6.654 1.00 0.01 C ATOM 1553 C LYS A 100 -22.030 1.572 7.626 1.00 0.01 C ATOM 1554 O LYS A 100 -21.496 0.493 7.462 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.455 2.079 7.344 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.534 2.532 6.358 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.916 2.234 6.944 1.00 2.19 C ATOM 1558 CE LYS A 100 -27.997 2.681 5.957 1.00 2.84 C ATOM 1559 NZ LYS A 100 -29.328 2.653 6.630 1.00 3.18 N ATOM 0 H LYS A 100 -23.432 0.292 5.551 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.835 3.121 6.367 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.676 1.075 7.705 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.445 2.735 8.214 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.434 3.599 6.158 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.412 2.016 5.406 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -27.014 1.168 7.148 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -27.039 2.753 7.894 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -27.781 3.687 5.596 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -28.004 2.025 5.087 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -30.063 2.957 5.959 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -29.533 1.686 6.954 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -29.318 3.297 7.447 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.713 2.347 8.627 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.676 1.933 9.616 1.00 0.01 C ATOM 1575 C GLY A 101 -21.180 0.784 10.493 1.00 0.00 C ATOM 1576 O GLY A 101 -22.360 0.510 10.577 1.00 0.01 O ATOM 0 H GLY A 101 -22.133 3.260 8.804 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.771 1.625 9.092 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.407 2.783 10.243 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.269 0.132 11.165 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.631 -0.990 12.080 1.00 0.00 C ATOM 1582 C ASP A 102 -21.390 -2.094 11.340 1.00 0.00 C ATOM 1583 O ASP A 102 -22.291 -2.712 11.873 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.492 -0.454 13.225 1.00 0.01 C ATOM 1585 CG ASP A 102 -21.610 -1.518 14.316 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -20.594 -1.855 14.901 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -22.715 -1.980 14.549 1.00 0.01 O ATOM 0 H ASP A 102 -19.270 0.334 11.117 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.710 -1.420 12.473 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -21.048 0.454 13.634 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -22.482 -0.186 12.855 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.998 -2.368 10.128 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.643 -3.459 9.342 1.00 0.01 C ATOM 1594 C PHE A 103 -23.161 -3.287 9.293 1.00 0.00 C ATOM 1595 O PHE A 103 -23.904 -4.192 9.620 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.305 -4.805 9.988 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.845 -4.820 10.384 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.853 -4.865 9.396 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.484 -4.791 11.737 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.502 -4.879 9.762 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -18.132 -4.806 12.103 1.00 0.01 C ATOM 1602 CZ PHE A 103 -17.141 -4.850 11.115 1.00 0.01 C ATOM 0 H PHE A 103 -20.248 -1.877 9.641 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.264 -3.420 8.321 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.932 -4.968 10.864 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.513 -5.617 9.292 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -19.130 -4.889 8.353 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -20.249 -4.757 12.499 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.737 -4.912 9.000 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.854 -4.784 13.146 1.00 0.01 H new ATOM 0 HZ PHE A 103 -16.098 -4.862 11.396 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.629 -2.146 8.853 1.00 0.00 N ATOM 1613 CA ASN A 104 -25.104 -1.911 8.739 1.00 0.01 C ATOM 1614 C ASN A 104 -25.399 -1.389 7.330 1.00 0.01 C ATOM 1615 O ASN A 104 -24.506 -0.989 6.608 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.547 -0.865 9.767 1.00 1.68 C ATOM 1617 CG ASN A 104 -25.551 -1.490 11.165 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -25.175 -2.634 11.333 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -25.962 -0.783 12.182 1.00 2.38 N ATOM 0 H ASN A 104 -23.048 -1.359 8.565 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.643 -2.840 8.924 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.874 -0.008 9.742 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -26.542 -0.496 9.520 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -25.968 -1.190 13.117 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -26.278 0.177 12.042 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.640 -1.403 6.923 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.983 -0.916 5.553 1.00 0.01 C ATOM 1628 C GLY A 105 -26.941 -2.089 4.577 1.00 0.01 C ATOM 1629 O GLY A 105 -26.952 -3.237 4.978 1.00 0.01 O ATOM 0 H GLY A 105 -27.431 -1.730 7.478 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.974 -0.463 5.553 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.280 -0.144 5.242 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.881 -1.825 3.300 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.823 -2.940 2.317 1.00 0.01 C ATOM 1635 C GLN A 106 -25.416 -3.540 2.315 1.00 0.01 C ATOM 1636 O GLN A 106 -24.423 -2.845 2.452 1.00 0.01 O ATOM 1637 CB GLN A 106 -27.153 -2.406 0.921 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.406 -3.578 -0.027 1.00 0.01 C ATOM 1639 CD GLN A 106 -27.853 -3.043 -1.388 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -27.458 -1.967 -1.788 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -28.665 -3.754 -2.121 1.00 0.01 N ATOM 0 H GLN A 106 -26.870 -0.888 2.897 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.546 -3.708 2.592 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -28.032 -1.763 0.964 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.330 -1.795 0.550 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -26.499 -4.173 -0.138 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -28.170 -4.236 0.386 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -28.997 -4.658 -1.785 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -28.968 -3.406 -3.031 1.00 0.01 H new ATOM 1650 N MET A 107 -25.339 -4.838 2.164 1.00 0.01 N ATOM 1651 CA MET A 107 -24.017 -5.537 2.156 1.00 0.01 C ATOM 1652 C MET A 107 -23.795 -6.207 0.800 1.00 0.01 C ATOM 1653 O MET A 107 -24.707 -6.735 0.196 1.00 0.01 O ATOM 1654 CB MET A 107 -24.004 -6.611 3.244 1.00 0.00 C ATOM 1655 CG MET A 107 -22.582 -7.150 3.416 1.00 0.01 C ATOM 1656 SD MET A 107 -22.636 -8.697 4.353 1.00 0.01 S ATOM 1657 CE MET A 107 -22.812 -9.810 2.938 1.00 0.01 C ATOM 0 H MET A 107 -26.146 -5.451 2.044 1.00 0.01 H new ATOM 0 HA MET A 107 -23.227 -4.809 2.340 1.00 0.01 H new ATOM 0 HB2 MET A 107 -24.362 -6.194 4.185 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.681 -7.422 2.977 1.00 0.00 H new ATOM 0 HG2 MET A 107 -22.124 -7.318 2.441 1.00 0.01 H new ATOM 0 HG3 MET A 107 -21.964 -6.418 3.936 1.00 0.01 H new ATOM 0 HE1 MET A 107 -22.866 -10.840 3.290 1.00 0.01 H new ATOM 0 HE2 MET A 107 -23.724 -9.565 2.393 1.00 0.01 H new ATOM 0 HE3 MET A 107 -21.953 -9.697 2.277 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.572 -6.203 0.333 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.236 -6.852 -0.972 1.00 0.00 C ATOM 1669 C TYR A 108 -20.998 -7.732 -0.765 1.00 0.01 C ATOM 1670 O TYR A 108 -20.056 -7.353 -0.097 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.932 -5.779 -2.022 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.225 -5.150 -2.489 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -24.045 -5.830 -3.395 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.603 -3.888 -2.012 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.244 -5.250 -3.826 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.801 -3.308 -2.444 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.622 -3.988 -3.351 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.804 -3.416 -3.774 1.00 2.48 O ATOM 0 H TYR A 108 -21.780 -5.771 0.808 1.00 0.01 H new ATOM 0 HA TYR A 108 -23.076 -7.454 -1.318 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.276 -5.017 -1.600 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.404 -6.221 -2.867 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.753 -6.803 -3.762 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.970 -3.363 -1.311 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.878 -5.776 -4.525 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -25.092 -2.335 -2.077 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.899 -2.527 -3.372 1.00 2.48 H new ATOM 1688 N GLU A 109 -21.021 -8.923 -1.311 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.881 -9.881 -1.139 1.00 0.01 C ATOM 1690 C GLU A 109 -19.242 -10.175 -2.494 1.00 0.01 C ATOM 1691 O GLU A 109 -19.926 -10.416 -3.469 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.440 -11.173 -0.529 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.315 -12.205 -0.359 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.054 -12.921 -1.689 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -19.905 -13.690 -2.102 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -18.007 -12.686 -2.270 1.00 0.00 O ATOM 0 H GLU A 109 -21.792 -9.278 -1.877 1.00 0.01 H new ATOM 0 HA GLU A 109 -19.119 -9.454 -0.487 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.898 -10.960 0.437 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -21.223 -11.579 -1.170 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.405 -11.711 -0.018 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -19.589 -12.931 0.406 1.00 0.01 H new ATOM 1703 N THR A 110 -17.929 -10.156 -2.572 1.00 0.01 N ATOM 1704 CA THR A 110 -17.269 -10.435 -3.882 1.00 0.00 C ATOM 1705 C THR A 110 -15.897 -11.096 -3.685 1.00 0.01 C ATOM 1706 O THR A 110 -15.182 -10.850 -2.720 1.00 0.01 O ATOM 1707 CB THR A 110 -17.090 -9.129 -4.661 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.543 -9.415 -5.941 1.00 1.65 O ATOM 1709 CG2 THR A 110 -16.147 -8.199 -3.894 1.00 1.69 C ATOM 0 H THR A 110 -17.298 -9.962 -1.795 1.00 0.01 H new ATOM 0 HA THR A 110 -17.908 -11.120 -4.440 1.00 0.00 H new ATOM 0 HB THR A 110 -18.057 -8.641 -4.780 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.429 -8.580 -6.442 1.00 1.65 H new ATOM 0 HG21 THR A 110 -16.021 -7.270 -4.450 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.570 -7.981 -2.913 1.00 1.69 H new ATOM 0 HG23 THR A 110 -15.178 -8.683 -3.772 1.00 1.69 H new ATOM 1717 N THR A 111 -15.546 -11.938 -4.627 1.00 0.00 N ATOM 1718 CA THR A 111 -14.239 -12.662 -4.592 1.00 0.01 C ATOM 1719 C THR A 111 -13.354 -12.204 -5.759 1.00 0.01 C ATOM 1720 O THR A 111 -12.323 -12.789 -6.027 1.00 0.01 O ATOM 1721 CB THR A 111 -14.495 -14.168 -4.714 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.422 -14.407 -5.764 1.00 0.01 O ATOM 1723 CG2 THR A 111 -15.063 -14.702 -3.399 1.00 0.01 C ATOM 0 H THR A 111 -16.126 -12.158 -5.437 1.00 0.00 H new ATOM 0 HA THR A 111 -13.733 -12.444 -3.652 1.00 0.01 H new ATOM 0 HB THR A 111 -13.557 -14.677 -4.934 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.585 -15.370 -5.844 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.244 -15.773 -3.489 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.350 -14.521 -2.595 1.00 0.01 H new ATOM 0 HG23 THR A 111 -16.001 -14.193 -3.174 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.772 -11.185 -6.479 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.982 -10.707 -7.666 1.00 0.01 C ATOM 1733 C GLU A 112 -12.595 -9.233 -7.516 1.00 0.01 C ATOM 1734 O GLU A 112 -13.165 -8.508 -6.724 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.831 -10.875 -8.926 1.00 0.85 C ATOM 1736 CG GLU A 112 -13.996 -12.364 -9.236 1.00 1.61 C ATOM 1737 CD GLU A 112 -14.930 -12.539 -10.436 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -14.467 -12.366 -11.552 1.00 3.21 O ATOM 1739 OE2 GLU A 112 -16.090 -12.844 -10.219 1.00 3.07 O ATOM 0 H GLU A 112 -14.628 -10.662 -6.296 1.00 0.01 H new ATOM 0 HA GLU A 112 -12.068 -11.297 -7.736 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.807 -10.412 -8.784 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.357 -10.368 -9.767 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.025 -12.811 -9.450 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.402 -12.884 -8.368 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.643 -8.782 -8.293 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.222 -7.352 -8.230 1.00 0.01 C ATOM 1748 C ASP A 113 -12.344 -6.466 -8.784 1.00 0.00 C ATOM 1749 O ASP A 113 -13.137 -6.895 -9.600 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.970 -7.163 -9.089 1.00 0.01 C ATOM 1751 CG ASP A 113 -10.139 -7.914 -10.410 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -11.252 -8.321 -10.698 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -9.152 -8.071 -11.110 1.00 0.00 O ATOM 0 H ASP A 113 -11.136 -9.349 -8.973 1.00 0.01 H new ATOM 0 HA ASP A 113 -11.012 -7.077 -7.196 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.804 -6.103 -9.280 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.093 -7.533 -8.558 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.392 -5.223 -8.365 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.433 -4.274 -8.879 1.00 0.01 C ATOM 1760 C CYS A 114 -12.735 -3.003 -9.415 1.00 0.01 C ATOM 1761 O CYS A 114 -12.145 -2.275 -8.637 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.354 -3.873 -7.727 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.611 -2.721 -8.333 1.00 0.01 S ATOM 0 H CYS A 114 -11.749 -4.822 -7.683 1.00 0.01 H new ATOM 0 HA CYS A 114 -14.008 -4.752 -9.672 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.830 -4.757 -7.303 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.775 -3.409 -6.929 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.700 -2.861 -7.636 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.798 -2.698 -10.705 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.144 -1.459 -11.218 1.00 0.01 C ATOM 1771 C PRO A 115 -12.953 -0.206 -10.853 1.00 0.01 C ATOM 1772 O PRO A 115 -12.397 0.858 -10.648 1.00 0.01 O ATOM 1773 CB PRO A 115 -12.128 -1.700 -12.736 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.160 -2.800 -13.047 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.488 -3.537 -11.732 1.00 0.01 C ATOM 0 HA PRO A 115 -11.154 -1.282 -10.797 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.374 -0.783 -13.271 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -11.134 -2.004 -13.064 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -14.063 -2.364 -13.474 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.762 -3.497 -13.785 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.562 -3.592 -11.555 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -13.113 -4.561 -11.737 1.00 0.01 H new ATOM 1783 N SER A 116 -14.257 -0.319 -10.786 1.00 0.01 N ATOM 1784 CA SER A 116 -15.107 0.862 -10.442 1.00 0.02 C ATOM 1785 C SER A 116 -16.270 0.399 -9.559 1.00 0.01 C ATOM 1786 O SER A 116 -17.182 -0.278 -10.000 1.00 0.00 O ATOM 1787 CB SER A 116 -15.648 1.487 -11.727 1.00 0.01 C ATOM 1788 OG SER A 116 -16.105 0.458 -12.594 1.00 0.01 O ATOM 0 H SER A 116 -14.771 -1.183 -10.956 1.00 0.01 H new ATOM 0 HA SER A 116 -14.516 1.604 -9.905 1.00 0.02 H new ATOM 0 HB2 SER A 116 -16.463 2.173 -11.496 1.00 0.01 H new ATOM 0 HB3 SER A 116 -14.869 2.071 -12.217 1.00 0.01 H new ATOM 0 HG SER A 116 -16.565 0.857 -13.362 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.213 0.740 -8.300 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.272 0.312 -7.341 1.00 0.01 C ATOM 1796 C ILE A 117 -18.622 0.930 -7.702 1.00 0.01 C ATOM 1797 O ILE A 117 -19.647 0.290 -7.573 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.869 0.751 -5.934 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.620 -0.023 -5.514 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -18.005 0.458 -4.948 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -15.038 0.587 -4.241 1.00 1.83 C ATOM 0 H ILE A 117 -15.468 1.304 -7.890 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.372 -0.772 -7.387 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.665 1.822 -5.931 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.870 -1.071 -5.345 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.879 0.003 -6.313 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.709 0.774 -3.948 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.899 1.003 -5.251 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.216 -0.611 -4.943 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -14.148 0.032 -3.946 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.772 1.628 -4.425 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.778 0.537 -3.442 1.00 1.83 H new ATOM 1813 N MET A 118 -18.643 2.166 -8.117 1.00 0.02 N ATOM 1814 CA MET A 118 -19.951 2.797 -8.441 1.00 0.01 C ATOM 1815 C MET A 118 -20.565 2.120 -9.663 1.00 0.01 C ATOM 1816 O MET A 118 -21.759 1.932 -9.741 1.00 0.02 O ATOM 1817 CB MET A 118 -19.770 4.293 -8.711 1.00 0.24 C ATOM 1818 CG MET A 118 -21.115 4.908 -9.106 1.00 0.63 C ATOM 1819 SD MET A 118 -20.971 6.713 -9.122 1.00 1.20 S ATOM 1820 CE MET A 118 -22.660 7.069 -9.662 1.00 1.34 C ATOM 0 H MET A 118 -17.823 2.759 -8.244 1.00 0.02 H new ATOM 0 HA MET A 118 -20.619 2.674 -7.588 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.378 4.789 -7.823 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.041 4.444 -9.507 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.417 4.548 -10.089 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.889 4.600 -8.402 1.00 0.63 H new ATOM 0 HE1 MET A 118 -22.797 8.147 -9.741 1.00 1.34 H new ATOM 0 HE2 MET A 118 -22.836 6.608 -10.634 1.00 1.34 H new ATOM 0 HE3 MET A 118 -23.367 6.666 -8.936 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.771 1.744 -10.620 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.345 1.086 -11.821 1.00 0.02 C ATOM 1832 C GLU A 119 -20.850 -0.311 -11.457 1.00 0.02 C ATOM 1833 O GLU A 119 -21.848 -0.774 -11.973 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.265 0.969 -12.897 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.892 0.458 -14.197 1.00 0.99 C ATOM 1836 CD GLU A 119 -18.862 0.535 -15.325 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -17.725 0.158 -15.089 1.00 2.07 O ATOM 1838 OE2 GLU A 119 -19.225 0.970 -16.405 1.00 2.11 O ATOM 0 H GLU A 119 -18.758 1.862 -10.624 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.177 1.682 -12.195 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.796 1.939 -13.064 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.480 0.288 -12.567 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -20.232 -0.570 -14.070 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.769 1.054 -14.449 1.00 0.99 H new ATOM 1845 N GLN A 120 -20.134 -1.010 -10.617 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.537 -2.406 -10.272 1.00 0.01 C ATOM 1847 C GLN A 120 -21.656 -2.451 -9.226 1.00 0.01 C ATOM 1848 O GLN A 120 -22.596 -3.211 -9.353 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.317 -3.152 -9.728 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.609 -4.653 -9.691 1.00 1.07 C ATOM 1851 CD GLN A 120 -19.639 -5.204 -11.118 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -19.036 -4.641 -12.010 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -20.319 -6.287 -11.373 1.00 2.08 N ATOM 0 H GLN A 120 -19.288 -0.676 -10.155 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.916 -2.876 -11.180 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.448 -2.956 -10.356 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -19.075 -2.793 -8.728 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -18.846 -5.168 -9.107 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.564 -4.836 -9.199 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -20.825 -6.760 -10.624 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -20.345 -6.662 -12.321 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.526 -1.698 -8.158 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.547 -1.760 -7.054 1.00 0.01 C ATOM 1864 C PHE A 121 -23.389 -0.486 -6.957 1.00 0.01 C ATOM 1865 O PHE A 121 -24.257 -0.384 -6.114 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.821 -1.979 -5.728 1.00 0.01 C ATOM 1867 CG PHE A 121 -21.005 -3.249 -5.806 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.591 -4.477 -5.476 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.664 -3.199 -6.207 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -20.838 -5.654 -5.548 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.911 -4.378 -6.279 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.498 -5.605 -5.950 1.00 0.01 C ATOM 0 H PHE A 121 -20.760 -1.044 -8.001 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.227 -2.583 -7.277 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.173 -1.130 -5.511 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.542 -2.046 -4.913 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.625 -4.516 -5.166 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -19.211 -2.252 -6.461 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.291 -6.601 -5.293 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.877 -4.340 -6.589 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.917 -6.514 -6.006 1.00 0.01 H new ATOM 1882 N HIS A 122 -23.150 0.486 -7.790 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.953 1.738 -7.709 1.00 0.01 C ATOM 1884 C HIS A 122 -23.775 2.371 -6.326 1.00 0.01 C ATOM 1885 O HIS A 122 -24.674 2.996 -5.799 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.430 1.411 -7.960 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.535 0.380 -9.048 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -24.474 0.080 -9.888 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -26.569 -0.430 -9.448 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -24.888 -0.873 -10.741 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -26.159 -1.221 -10.517 1.00 0.01 N ATOM 0 H HIS A 122 -22.438 0.470 -8.520 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.613 2.445 -8.466 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.892 1.039 -7.046 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.970 2.314 -8.246 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -27.552 -0.450 -9.001 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -24.269 -1.305 -11.513 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -26.710 -1.916 -11.021 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.608 2.216 -5.738 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.343 2.808 -4.380 1.00 0.01 C ATOM 1901 C LEU A 123 -21.307 3.926 -4.524 1.00 0.02 C ATOM 1902 O LEU A 123 -20.318 3.784 -5.215 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.794 1.711 -3.436 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.941 1.045 -2.647 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.492 -0.332 -2.141 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.321 1.906 -1.432 1.00 0.01 C ATOM 0 H LEU A 123 -21.824 1.703 -6.141 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.266 3.209 -3.963 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.261 0.958 -4.017 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -21.075 2.147 -2.743 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.800 0.942 -3.310 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.305 -0.798 -1.585 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -22.225 -0.962 -2.989 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.626 -0.216 -1.489 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -24.131 1.425 -0.884 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.456 2.015 -0.778 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.646 2.890 -1.771 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.530 5.044 -3.879 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.567 6.178 -3.981 1.00 0.00 C ATOM 1920 C ARG A 124 -19.533 6.104 -2.854 1.00 0.01 C ATOM 1921 O ARG A 124 -18.459 6.663 -2.949 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.327 7.501 -3.876 1.00 1.67 C ATOM 1923 CG ARG A 124 -20.412 8.652 -4.300 1.00 1.98 C ATOM 1924 CD ARG A 124 -21.155 9.977 -4.130 1.00 2.92 C ATOM 1925 NE ARG A 124 -22.402 9.957 -4.946 1.00 3.54 N ATOM 1926 CZ ARG A 124 -23.336 10.842 -4.732 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -23.181 11.742 -3.801 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -24.426 10.827 -5.449 1.00 5.32 N ATOM 0 H ARG A 124 -22.341 5.218 -3.285 1.00 0.01 H new ATOM 0 HA ARG A 124 -20.053 6.116 -4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -22.213 7.475 -4.510 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -21.671 7.654 -2.853 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -19.504 8.651 -3.697 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -20.105 8.524 -5.338 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -21.398 10.138 -3.080 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -20.518 10.805 -4.440 1.00 2.92 H new ATOM 0 HE ARG A 124 -22.525 9.251 -5.672 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -22.329 11.754 -3.240 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -23.912 12.434 -3.634 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -24.548 10.123 -6.177 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -25.156 11.519 -5.281 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.858 5.439 -1.771 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.907 5.351 -0.621 1.00 0.01 C ATOM 1944 C GLU A 125 -19.104 4.026 0.127 1.00 0.01 C ATOM 1945 O GLU A 125 -20.121 3.373 -0.003 1.00 0.01 O ATOM 1946 CB GLU A 125 -19.179 6.502 0.347 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.833 7.832 -0.327 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.829 8.947 0.719 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.590 8.847 1.667 1.00 0.01 O ATOM 1950 OE2 GLU A 125 -18.063 9.884 0.554 1.00 0.02 O ATOM 0 H GLU A 125 -20.744 4.952 -1.635 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.887 5.407 -1.001 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -20.226 6.497 0.649 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.586 6.377 1.253 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.857 7.766 -0.807 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.558 8.055 -1.109 1.00 0.01 H new ATOM 1957 N ILE A 126 -18.147 3.651 0.940 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.263 2.394 1.750 1.00 0.01 C ATOM 1959 C ILE A 126 -17.886 2.750 3.192 1.00 0.01 C ATOM 1960 O ILE A 126 -16.888 3.405 3.419 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.299 1.336 1.199 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.877 0.783 -0.107 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -17.138 0.194 2.212 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.852 -0.125 -0.784 1.00 1.70 C ATOM 0 H ILE A 126 -17.279 4.168 1.080 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.274 1.990 1.706 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.323 1.786 1.019 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.791 0.226 0.097 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -18.145 1.603 -0.773 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.452 -0.553 1.812 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.740 0.590 3.146 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -18.108 -0.267 2.398 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.269 -0.515 -1.712 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.949 0.445 -1.003 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.606 -0.954 -0.120 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.702 2.390 4.163 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.393 2.800 5.581 1.00 0.01 C ATOM 1978 C HIS A 127 -17.904 1.637 6.447 1.00 0.01 C ATOM 1979 O HIS A 127 -17.362 1.850 7.515 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.640 3.432 6.215 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.845 4.821 5.669 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.475 5.169 4.381 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -20.378 5.956 6.226 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.786 6.467 4.206 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -20.340 6.994 5.301 1.00 0.02 N ATOM 0 H HIS A 127 -19.553 1.841 4.041 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.579 3.524 5.536 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.516 2.817 6.007 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.528 3.471 7.299 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -20.768 6.032 7.230 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.609 7.015 3.292 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.665 7.952 5.431 1.00 0.02 H new ATOM 1993 N SER A 128 -18.041 0.419 6.007 1.00 0.01 N ATOM 1994 CA SER A 128 -17.522 -0.716 6.831 1.00 0.01 C ATOM 1995 C SER A 128 -17.248 -1.891 5.901 1.00 0.01 C ATOM 1996 O SER A 128 -17.832 -2.004 4.847 1.00 0.01 O ATOM 1997 CB SER A 128 -18.565 -1.111 7.884 1.00 0.01 C ATOM 1998 OG SER A 128 -18.530 -2.519 8.084 1.00 0.01 O ATOM 0 H SER A 128 -18.483 0.158 5.126 1.00 0.01 H new ATOM 0 HA SER A 128 -16.606 -0.424 7.345 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.363 -0.595 8.823 1.00 0.01 H new ATOM 0 HB3 SER A 128 -19.559 -0.804 7.559 1.00 0.01 H new ATOM 0 HG SER A 128 -18.531 -2.713 9.045 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.352 -2.770 6.251 1.00 0.01 N ATOM 2005 CA CYS A 129 -16.066 -3.907 5.337 1.00 0.01 C ATOM 2006 C CYS A 129 -15.331 -5.004 6.097 1.00 0.00 C ATOM 2007 O CYS A 129 -14.539 -4.747 6.983 1.00 0.01 O ATOM 2008 CB CYS A 129 -15.207 -3.417 4.168 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.472 -4.832 3.302 1.00 1.22 S ATOM 0 H CYS A 129 -15.813 -2.751 7.117 1.00 0.01 H new ATOM 0 HA CYS A 129 -17.003 -4.309 4.951 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.816 -2.834 3.477 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.421 -2.757 4.535 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.360 -5.773 3.177 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.596 -6.237 5.748 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.932 -7.382 6.434 1.00 0.01 C ATOM 2017 C LYS A 130 -14.190 -8.219 5.389 1.00 0.01 C ATOM 2018 O LYS A 130 -14.771 -8.895 4.564 1.00 0.01 O ATOM 2019 CB LYS A 130 -16.014 -8.233 7.152 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.857 -8.135 8.679 1.00 0.80 C ATOM 2021 CD LYS A 130 -17.129 -8.648 9.361 1.00 0.29 C ATOM 2022 CE LYS A 130 -17.315 -10.137 9.052 1.00 0.33 C ATOM 2023 NZ LYS A 130 -18.286 -10.726 10.017 1.00 1.41 N ATOM 0 H LYS A 130 -16.250 -6.500 5.011 1.00 0.01 H new ATOM 0 HA LYS A 130 -14.216 -7.026 7.175 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -17.007 -7.890 6.861 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -15.932 -9.274 6.839 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.997 -8.720 9.004 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -15.668 -7.102 8.970 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -17.063 -8.496 10.438 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -17.994 -8.083 9.012 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -17.676 -10.265 8.032 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -16.359 -10.656 9.119 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -18.413 -11.737 9.808 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -17.923 -10.615 10.985 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -19.200 -10.237 9.932 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.892 -8.171 5.450 1.00 0.01 N ATOM 2038 CA VAL A 131 -12.033 -8.951 4.518 1.00 0.01 C ATOM 2039 C VAL A 131 -11.412 -10.051 5.342 1.00 0.01 C ATOM 2040 O VAL A 131 -10.685 -9.770 6.284 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.921 -8.053 3.962 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -10.101 -8.828 2.932 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.531 -6.817 3.300 1.00 0.01 C ATOM 0 H VAL A 131 -12.375 -7.608 6.126 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.611 -9.344 3.681 1.00 0.01 H new ATOM 0 HB VAL A 131 -10.274 -7.740 4.782 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -9.312 -8.187 2.539 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.656 -9.703 3.405 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.750 -9.147 2.116 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.735 -6.184 2.908 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -12.184 -7.126 2.484 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -12.109 -6.258 4.036 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.599 -11.307 4.974 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.901 -12.378 5.749 1.00 0.01 C ATOM 2055 C VAL A 132 -10.548 -13.507 4.796 1.00 0.00 C ATOM 2056 O VAL A 132 -11.098 -14.586 4.875 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.833 -12.910 6.841 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -11.053 -13.842 7.769 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.392 -11.739 7.655 1.00 1.98 C ATOM 0 H VAL A 132 -12.183 -11.621 4.199 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.999 -11.978 6.212 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.654 -13.457 6.378 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.717 -14.221 8.546 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.654 -14.678 7.194 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.231 -13.293 8.229 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -13.055 -12.120 8.432 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.570 -11.191 8.116 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.949 -11.072 6.997 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.628 -13.285 3.917 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.219 -14.357 2.973 1.00 0.01 C ATOM 2071 C GLU A 133 -8.255 -13.722 1.972 1.00 0.01 C ATOM 2072 O GLU A 133 -8.673 -12.934 1.142 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.470 -14.960 2.268 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.667 -16.432 2.676 1.00 0.00 C ATOM 2075 CD GLU A 133 -9.644 -17.304 1.946 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -8.648 -16.763 1.496 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -9.875 -18.498 1.849 1.00 0.00 O ATOM 0 H GLU A 133 -9.133 -12.400 3.806 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.728 -15.180 3.492 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.356 -14.382 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.354 -14.889 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.550 -16.541 3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.678 -16.756 2.431 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.990 -14.043 2.039 1.00 0.01 N ATOM 2085 CA GLY A 134 -6.015 -13.441 1.081 1.00 0.01 C ATOM 2086 C GLY A 134 -5.769 -11.969 1.438 1.00 0.01 C ATOM 2087 O GLY A 134 -6.254 -11.475 2.436 1.00 0.01 O ATOM 0 H GLY A 134 -6.590 -14.695 2.714 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -5.075 -13.993 1.111 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.398 -13.518 0.063 1.00 0.01 H new ATOM 2091 N THR A 135 -5.015 -11.268 0.621 1.00 0.01 N ATOM 2092 CA THR A 135 -4.719 -9.820 0.889 1.00 0.01 C ATOM 2093 C THR A 135 -5.422 -8.958 -0.164 1.00 0.01 C ATOM 2094 O THR A 135 -5.557 -9.354 -1.306 1.00 0.01 O ATOM 2095 CB THR A 135 -3.205 -9.597 0.809 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.541 -10.646 1.497 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.843 -8.257 1.449 1.00 2.30 C ATOM 0 H THR A 135 -4.588 -11.640 -0.227 1.00 0.01 H new ATOM 0 HA THR A 135 -5.078 -9.544 1.881 1.00 0.01 H new ATOM 0 HB THR A 135 -2.895 -9.588 -0.236 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.572 -10.508 1.447 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.765 -8.104 1.389 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.354 -7.452 0.921 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.152 -8.258 2.494 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.891 -7.789 0.217 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.616 -6.898 -0.751 1.00 0.01 C ATOM 2107 C TRP A 136 -6.073 -5.465 -0.688 1.00 0.01 C ATOM 2108 O TRP A 136 -5.695 -4.981 0.354 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.106 -6.872 -0.392 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.746 -8.167 -0.773 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.698 -9.302 -0.039 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.533 -8.479 -1.958 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.409 -10.288 -0.697 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.942 -9.830 -1.886 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.930 -7.726 -3.078 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.716 -10.415 -2.888 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.708 -8.312 -4.089 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.100 -9.655 -3.993 1.00 0.01 C ATOM 0 H TRP A 136 -5.802 -7.413 1.161 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.468 -7.290 -1.757 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.228 -6.697 0.677 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.599 -6.048 -0.908 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.188 -9.419 0.906 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.526 -11.239 -0.347 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.634 -6.691 -3.161 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -11.016 -11.449 -2.809 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -11.006 -7.725 -4.945 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.699 -10.100 -4.774 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.069 -4.774 -1.804 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.608 -3.347 -1.832 1.00 0.00 C ATOM 2131 C ILE A 137 -6.795 -2.494 -2.294 1.00 0.01 C ATOM 2132 O ILE A 137 -7.527 -2.879 -3.178 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.459 -3.174 -2.837 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.336 -4.170 -2.517 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.909 -1.743 -2.746 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.104 -3.854 -3.376 1.00 1.69 C ATOM 0 H ILE A 137 -6.369 -5.142 -2.707 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.256 -3.049 -0.844 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.832 -3.360 -3.844 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.078 -4.114 -1.459 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.674 -5.188 -2.709 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.094 -1.620 -3.459 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.703 -1.033 -2.977 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.539 -1.559 -1.737 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.309 -4.563 -3.146 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.366 -3.932 -4.431 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.761 -2.842 -3.162 1.00 1.69 H new ATOM 2148 N PHE A 138 -6.963 -1.327 -1.716 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.080 -0.403 -2.126 1.00 0.01 C ATOM 2150 C PHE A 138 -7.442 0.840 -2.765 1.00 0.01 C ATOM 2151 O PHE A 138 -6.416 1.306 -2.317 1.00 0.00 O ATOM 2152 CB PHE A 138 -8.944 -0.060 -0.873 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.892 1.415 -0.474 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -9.332 2.413 -1.356 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.415 1.776 0.793 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -9.289 3.758 -0.971 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.373 3.120 1.176 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.809 4.111 0.293 1.00 2.49 C ATOM 0 H PHE A 138 -6.369 -0.968 -0.969 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.747 -0.863 -2.855 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -9.980 -0.337 -1.070 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.606 -0.666 -0.033 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.704 2.143 -2.333 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.078 1.012 1.478 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -9.628 4.525 -1.652 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -8.004 3.392 2.154 1.00 2.01 H new ATOM 0 HZ PHE A 138 -8.775 5.150 0.587 1.00 2.49 H new ATOM 2168 N TYR A 139 -8.050 1.384 -3.802 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.493 2.604 -4.474 1.00 0.01 C ATOM 2170 C TYR A 139 -8.551 3.715 -4.461 1.00 0.01 C ATOM 2171 O TYR A 139 -9.744 3.455 -4.517 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.127 2.277 -5.925 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.161 1.115 -5.965 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.610 -0.177 -5.668 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.819 1.326 -6.307 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -5.720 -1.256 -5.709 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -3.927 0.248 -6.348 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.378 -1.044 -6.050 1.00 0.02 C ATOM 2179 OH TYR A 139 -3.501 -2.107 -6.090 1.00 0.00 O ATOM 0 H TYR A 139 -8.914 1.029 -4.211 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.601 2.933 -3.941 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -8.027 2.032 -6.489 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.679 3.149 -6.401 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.645 -0.341 -5.407 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.472 2.322 -6.539 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.068 -2.252 -5.478 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -2.892 0.412 -6.609 1.00 0.02 H new ATOM 0 HH TYR A 139 -2.610 -1.787 -6.345 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.121 4.946 -4.327 1.00 0.01 N ATOM 2190 CA GLU A 140 -9.080 6.088 -4.234 1.00 0.02 C ATOM 2191 C GLU A 140 -9.706 6.427 -5.592 1.00 0.01 C ATOM 2192 O GLU A 140 -10.822 6.907 -5.637 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.302 7.302 -3.728 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.279 8.394 -3.289 1.00 0.02 C ATOM 2195 CD GLU A 140 -9.932 7.993 -1.966 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -9.286 8.137 -0.942 1.00 0.02 O ATOM 2197 OE2 GLU A 140 -11.068 7.547 -2.000 1.00 0.01 O ATOM 0 H GLU A 140 -7.137 5.209 -4.278 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.892 5.813 -3.560 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.664 7.015 -2.893 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.648 7.680 -4.514 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -8.754 9.342 -3.175 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -10.042 8.543 -4.053 1.00 0.02 H new ATOM 2204 N LEU A 141 -9.026 6.204 -6.698 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.628 6.545 -8.034 1.00 0.02 C ATOM 2206 C LEU A 141 -9.833 5.246 -8.841 1.00 0.01 C ATOM 2207 O LEU A 141 -9.124 4.274 -8.637 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.655 7.475 -8.788 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.846 8.935 -8.327 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.566 9.734 -8.597 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -10.009 9.591 -9.089 1.00 1.24 C ATOM 0 H LEU A 141 -8.088 5.804 -6.734 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.588 7.043 -7.902 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.627 7.161 -8.607 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.827 7.400 -9.862 1.00 0.57 H new ATOM 0 HG LEU A 141 -9.068 8.933 -7.260 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.705 10.765 -8.270 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.736 9.288 -8.049 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.346 9.718 -9.664 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.130 10.620 -8.752 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.795 9.582 -10.158 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.928 9.036 -8.898 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.789 5.222 -9.758 1.00 0.01 N ATOM 2224 CA PRO A 142 -11.052 4.000 -10.572 1.00 0.01 C ATOM 2225 C PRO A 142 -9.795 3.492 -11.286 1.00 0.01 C ATOM 2226 O PRO A 142 -8.792 4.167 -11.396 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.118 4.481 -11.584 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.355 5.987 -11.362 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.670 6.393 -10.048 1.00 0.01 C ATOM 0 HA PRO A 142 -11.377 3.155 -9.964 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.783 4.296 -12.605 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -13.047 3.927 -11.448 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.950 6.562 -12.195 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.423 6.201 -11.316 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.096 7.313 -10.159 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.393 6.562 -9.250 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.892 2.293 -11.789 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.764 1.673 -12.538 1.00 0.01 C ATOM 2239 C ASN A 143 -7.514 1.567 -11.662 1.00 0.01 C ATOM 2240 O ASN A 143 -6.397 1.603 -12.140 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.444 2.522 -13.770 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.742 2.883 -14.495 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -10.862 2.331 -14.116 1.00 0.75 O flip ATOM 2244 ND2 ASN A 143 -9.736 3.675 -15.417 1.00 0.56 N flip ATOM 0 H ASN A 143 -10.722 1.706 -11.711 1.00 0.01 H new ATOM 0 HA ASN A 143 -9.063 0.669 -12.839 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -7.917 3.429 -13.473 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.782 1.974 -14.440 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -8.860 4.106 -15.713 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -10.607 3.908 -15.895 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.704 1.397 -10.381 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.549 1.237 -9.452 1.00 0.02 C ATOM 2253 C TYR A 144 -5.610 2.450 -9.528 1.00 0.01 C ATOM 2254 O TYR A 144 -4.416 2.305 -9.703 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.784 -0.048 -9.822 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.749 -1.048 -10.427 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.854 -1.488 -9.688 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.544 -1.526 -11.730 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.753 -2.404 -10.248 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.444 -2.441 -12.289 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.548 -2.881 -11.549 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.435 -3.782 -12.101 1.00 0.01 O ATOM 0 H TYR A 144 -8.620 1.362 -9.934 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.922 1.166 -8.430 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -4.987 0.180 -10.530 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.311 -0.472 -8.936 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -8.013 -1.120 -8.685 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.692 -1.188 -12.302 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.605 -2.743 -9.677 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.286 -2.808 -13.292 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.147 -4.010 -13.010 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.144 3.643 -9.397 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.282 4.875 -9.457 1.00 0.01 C ATOM 2274 C ARG A 145 -5.488 5.716 -8.197 1.00 0.01 C ATOM 2275 O ARG A 145 -6.432 5.519 -7.458 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.680 5.710 -10.677 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.227 5.001 -11.953 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.839 5.701 -13.169 1.00 0.01 C ATOM 2279 NE ARG A 145 -5.540 4.914 -14.398 1.00 0.01 N ATOM 2280 CZ ARG A 145 -6.201 5.149 -15.499 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -7.126 6.069 -15.520 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -5.940 4.461 -16.577 1.00 0.01 N ATOM 0 H ARG A 145 -7.138 3.819 -9.251 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.236 4.576 -9.530 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.760 5.856 -10.694 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.226 6.699 -10.617 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.139 5.013 -12.022 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -5.533 3.955 -11.929 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -6.917 5.800 -13.041 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -5.436 6.709 -13.263 1.00 0.01 H new ATOM 0 HE ARG A 145 -4.820 4.192 -14.379 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -7.332 6.604 -14.677 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -7.643 6.253 -16.380 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -5.219 3.739 -16.559 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -6.457 4.645 -17.437 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.599 6.643 -7.929 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.730 7.492 -6.708 1.00 0.02 C ATOM 2298 C GLY A 146 -4.017 6.825 -5.528 1.00 0.01 C ATOM 2299 O GLY A 146 -3.235 5.911 -5.695 1.00 0.02 O ATOM 0 H GLY A 146 -3.785 6.847 -8.509 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.302 8.477 -6.892 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.783 7.641 -6.470 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.284 7.286 -4.337 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.627 6.693 -3.136 1.00 0.01 C ATOM 2305 C ARG A 147 -4.142 5.270 -2.947 1.00 0.01 C ATOM 2306 O ARG A 147 -5.298 4.969 -3.183 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.976 7.534 -1.907 1.00 0.01 C ATOM 2308 CG ARG A 147 -3.273 6.958 -0.676 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.312 7.981 0.462 1.00 0.01 C ATOM 2310 NE ARG A 147 -4.641 8.657 0.478 1.00 0.02 N ATOM 2311 CZ ARG A 147 -5.012 9.345 1.523 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -4.220 9.443 2.554 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -6.176 9.936 1.534 1.00 0.02 N ATOM 0 H ARG A 147 -4.931 8.050 -4.142 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.545 6.678 -3.268 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.670 8.568 -2.063 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -5.055 7.541 -1.753 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.761 6.034 -0.365 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -2.240 6.707 -0.918 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -3.132 7.486 1.416 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -2.519 8.717 0.331 1.00 0.01 H new ATOM 0 HE ARG A 147 -5.261 8.582 -0.329 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -3.310 8.982 2.544 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -4.510 9.981 3.371 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -6.794 9.860 0.726 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -6.467 10.474 2.350 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.260 4.380 -2.550 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.628 2.945 -2.368 1.00 0.01 C ATOM 2329 C GLN A 148 -3.417 2.541 -0.902 1.00 0.01 C ATOM 2330 O GLN A 148 -2.536 3.042 -0.231 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.691 2.110 -3.264 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.366 2.890 -4.548 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.261 3.914 -4.270 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -0.637 3.886 -3.228 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -0.990 4.823 -5.166 1.00 0.01 N ATOM 0 H GLN A 148 -2.285 4.596 -2.342 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.672 2.780 -2.633 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.772 1.877 -2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -3.163 1.160 -3.514 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -2.048 2.202 -5.331 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -3.260 3.396 -4.912 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -1.513 4.848 -6.041 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -0.255 5.509 -4.991 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.215 1.628 -0.413 1.00 0.01 N ATOM 2345 CA TYR A 149 -4.079 1.154 1.004 1.00 0.01 C ATOM 2346 C TYR A 149 -3.996 -0.382 1.002 1.00 0.01 C ATOM 2347 O TYR A 149 -4.663 -1.038 0.227 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.307 1.624 1.821 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.868 2.388 3.054 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.518 3.740 2.953 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.809 1.741 4.295 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -4.112 4.444 4.093 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.403 2.445 5.434 1.00 0.01 C ATOM 2354 CZ TYR A 149 -4.054 3.796 5.333 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.653 4.490 6.455 1.00 0.01 O ATOM 0 H TYR A 149 -4.966 1.183 -0.940 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.178 1.566 1.458 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.942 2.257 1.201 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.906 0.762 2.115 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.561 4.239 1.996 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -5.077 0.698 4.373 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.843 5.487 4.016 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.359 1.946 6.391 1.00 0.01 H new ATOM 0 HH TYR A 149 -4.376 5.083 6.749 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.189 -0.958 1.854 1.00 0.01 N ATOM 2366 CA LEU A 150 -3.069 -2.451 1.890 1.00 0.01 C ATOM 2367 C LEU A 150 -3.991 -2.991 2.988 1.00 0.01 C ATOM 2368 O LEU A 150 -3.852 -2.662 4.149 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.607 -2.807 2.183 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.327 -4.263 1.775 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.177 -4.530 1.856 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -2.080 -5.232 2.708 1.00 0.01 C ATOM 0 H LEU A 150 -2.606 -0.461 2.528 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.362 -2.894 0.938 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.944 -2.134 1.638 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.397 -2.671 3.244 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.673 -4.422 0.754 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.379 -5.561 1.567 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.703 -3.855 1.182 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.521 -4.365 2.877 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -1.874 -6.260 2.409 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -1.748 -5.080 3.735 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -3.151 -5.043 2.641 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.940 -3.821 2.618 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.897 -4.399 3.614 1.00 0.01 C ATOM 2386 C LEU A 151 -5.530 -5.863 3.907 1.00 0.01 C ATOM 2387 O LEU A 151 -5.279 -6.642 3.006 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.329 -4.330 3.048 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.491 -3.102 2.127 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.951 -3.019 1.608 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.096 -1.805 2.883 1.00 0.01 C ATOM 0 H LEU A 151 -5.092 -4.125 1.656 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.841 -3.826 4.539 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.550 -5.241 2.491 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -8.047 -4.275 3.866 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.826 -3.209 1.270 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.058 -2.150 0.959 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.190 -3.923 1.047 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.633 -2.926 2.453 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.215 -0.947 2.221 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.738 -1.682 3.755 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.057 -1.873 3.204 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.531 -6.247 5.160 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.210 -7.663 5.532 1.00 0.01 C ATOM 2405 C ASP A 152 -6.481 -8.338 6.054 1.00 0.00 C ATOM 2406 O ASP A 152 -7.496 -7.699 6.241 1.00 0.01 O ATOM 2407 CB ASP A 152 -4.145 -7.669 6.631 1.00 1.04 C ATOM 2408 CG ASP A 152 -2.980 -6.766 6.220 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -3.181 -5.564 6.154 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -1.906 -7.291 5.979 1.00 1.57 O ATOM 0 H ASP A 152 -5.742 -5.636 5.949 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.836 -8.200 4.661 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -4.575 -7.321 7.570 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -3.789 -8.685 6.801 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.436 -9.622 6.295 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.647 -10.331 6.811 1.00 0.01 C ATOM 2417 C LYS A 153 -8.121 -9.626 8.085 1.00 0.01 C ATOM 2418 O LYS A 153 -7.745 -9.999 9.179 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.279 -11.780 7.140 1.00 0.38 C ATOM 2420 CG LYS A 153 -6.839 -12.502 5.865 1.00 0.71 C ATOM 2421 CD LYS A 153 -6.126 -13.806 6.233 1.00 0.72 C ATOM 2422 CE LYS A 153 -5.696 -14.534 4.957 1.00 1.09 C ATOM 2423 NZ LYS A 153 -4.696 -15.585 5.299 1.00 1.84 N ATOM 0 H LYS A 153 -5.615 -10.211 6.157 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.438 -10.318 6.061 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -6.477 -11.803 7.878 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.134 -12.291 7.582 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -7.705 -12.714 5.238 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -6.173 -11.863 5.285 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -5.255 -13.594 6.853 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -6.789 -14.441 6.820 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -6.562 -14.985 4.473 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -5.267 -13.826 4.248 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -4.403 -16.080 4.433 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -3.866 -15.143 5.743 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -5.121 -16.266 5.960 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.919 -8.588 7.956 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.388 -7.839 9.171 1.00 0.01 C ATOM 2439 C LYS A 154 -10.880 -7.491 9.079 1.00 0.01 C ATOM 2440 O LYS A 154 -11.492 -7.544 8.026 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.574 -6.541 9.295 1.00 0.39 C ATOM 2442 CG LYS A 154 -7.155 -6.849 9.819 1.00 0.48 C ATOM 2443 CD LYS A 154 -7.143 -6.845 11.354 1.00 0.97 C ATOM 2444 CE LYS A 154 -5.805 -7.389 11.855 1.00 1.44 C ATOM 2445 NZ LYS A 154 -4.709 -6.465 11.447 1.00 2.28 N ATOM 0 H LYS A 154 -9.264 -8.228 7.066 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.243 -8.474 10.045 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.512 -6.048 8.325 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -9.078 -5.851 9.972 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.825 -7.820 9.448 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -6.451 -6.108 9.441 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -7.299 -5.833 11.727 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -7.962 -7.455 11.736 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -5.825 -7.490 12.940 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -5.628 -8.383 11.445 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -3.832 -6.729 11.939 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -4.563 -6.532 10.419 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -4.967 -5.489 11.697 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.445 -7.087 10.194 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.880 -6.667 10.239 1.00 0.01 C ATOM 2461 C GLU A 155 -12.911 -5.160 10.520 1.00 0.01 C ATOM 2462 O GLU A 155 -12.604 -4.726 11.614 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.603 -7.420 11.363 1.00 0.01 C ATOM 2464 CG GLU A 155 -13.194 -8.898 11.344 1.00 0.01 C ATOM 2465 CD GLU A 155 -11.811 -9.059 11.978 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -11.576 -8.445 13.006 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -11.009 -9.794 11.425 1.00 0.01 O ATOM 0 H GLU A 155 -10.961 -7.031 11.090 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.378 -6.892 9.296 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -13.356 -6.977 12.328 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -14.682 -7.330 11.238 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -13.926 -9.495 11.888 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -13.180 -9.268 10.319 1.00 0.01 H new ATOM 2474 N TYR A 156 -13.245 -4.352 9.542 1.00 0.00 N ATOM 2475 CA TYR A 156 -13.252 -2.869 9.758 1.00 0.01 C ATOM 2476 C TYR A 156 -14.675 -2.370 10.018 1.00 0.01 C ATOM 2477 O TYR A 156 -15.532 -2.447 9.160 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.683 -2.189 8.513 1.00 0.01 C ATOM 2479 CG TYR A 156 -11.260 -2.648 8.302 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -10.227 -2.102 9.074 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.973 -3.621 7.336 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.907 -2.529 8.879 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.654 -4.047 7.143 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.621 -3.500 7.913 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.321 -3.922 7.720 1.00 0.01 O ATOM 0 H TYR A 156 -13.513 -4.654 8.605 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.642 -2.628 10.628 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -13.290 -2.434 7.641 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.715 -1.106 8.629 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.448 -1.352 9.819 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.769 -4.042 6.740 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -8.110 -2.109 9.474 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.433 -4.798 6.399 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.299 -4.600 7.013 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.943 -1.893 11.206 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.325 -1.432 11.536 1.00 0.01 C ATOM 2497 C ARG A 157 -16.500 0.059 11.245 1.00 0.00 C ATOM 2498 O ARG A 157 -17.591 0.498 10.947 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.593 -1.683 13.022 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.429 -1.138 13.850 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.846 -1.048 15.319 1.00 0.00 C ATOM 2502 NE ARG A 157 -16.682 -2.230 15.671 1.00 0.01 N ATOM 2503 CZ ARG A 157 -16.897 -2.526 16.923 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -16.374 -1.793 17.866 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -17.634 -3.557 17.232 1.00 0.01 N ATOM 0 H ARG A 157 -14.264 -1.803 11.962 1.00 0.01 H new ATOM 0 HA ARG A 157 -17.029 -1.988 10.917 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.523 -1.200 13.321 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.715 -2.751 13.205 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.560 -1.788 13.747 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -15.137 -0.154 13.483 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -14.963 -1.011 15.957 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -16.405 -0.129 15.494 1.00 0.00 H new ATOM 0 HE ARG A 157 -17.086 -2.807 14.933 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -15.796 -0.988 17.625 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -16.542 -2.025 18.845 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -18.042 -4.132 16.495 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -17.802 -3.789 18.211 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.452 0.849 11.313 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.579 2.315 11.018 1.00 0.01 C ATOM 2521 C LYS A 158 -14.543 2.685 9.944 1.00 0.01 C ATOM 2522 O LYS A 158 -13.496 2.074 9.875 1.00 0.01 O ATOM 2523 CB LYS A 158 -15.287 3.106 12.300 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.503 3.061 13.232 1.00 0.97 C ATOM 2525 CD LYS A 158 -16.299 4.041 14.391 1.00 1.44 C ATOM 2526 CE LYS A 158 -14.989 3.725 15.124 1.00 2.13 C ATOM 2527 NZ LYS A 158 -13.851 4.359 14.403 1.00 2.54 N ATOM 0 H LYS A 158 -14.512 0.541 11.561 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.583 2.549 10.665 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.416 2.688 12.805 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -15.046 4.140 12.052 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -17.407 3.318 12.680 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.642 2.051 13.617 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -16.276 5.063 14.013 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -17.138 3.976 15.084 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -15.035 4.094 16.149 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -14.842 2.646 15.180 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -13.262 3.621 13.967 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -14.218 4.991 13.663 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -13.277 4.908 15.074 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.791 3.686 9.126 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.793 4.078 8.091 1.00 0.02 C ATOM 2543 C PRO A 159 -12.450 4.457 8.726 1.00 0.01 C ATOM 2544 O PRO A 159 -11.404 4.048 8.263 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.474 5.278 7.404 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.728 5.652 8.218 1.00 0.70 C ATOM 2547 CD PRO A 159 -16.045 4.489 9.170 1.00 0.28 C ATOM 0 HA PRO A 159 -13.546 3.277 7.395 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.789 6.124 7.351 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.747 5.024 6.380 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.556 6.569 8.782 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.571 5.840 7.553 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -16.268 4.839 10.178 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.908 3.913 8.834 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.456 5.240 9.767 1.00 0.01 N ATOM 2556 CA VAL A 160 -11.166 5.635 10.396 1.00 0.02 C ATOM 2557 C VAL A 160 -10.436 4.390 10.900 1.00 0.02 C ATOM 2558 O VAL A 160 -9.234 4.401 11.074 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.445 6.575 11.570 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -10.136 7.219 12.030 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.422 7.664 11.127 1.00 0.74 C ATOM 0 H VAL A 160 -13.293 5.622 10.208 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.543 6.143 9.660 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.880 6.010 12.394 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -10.334 7.889 12.867 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.439 6.442 12.345 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.700 7.786 11.207 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.622 8.335 11.962 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.987 8.230 10.303 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -13.355 7.205 10.799 1.00 0.74 H new ATOM 2571 N ASP A 161 -11.136 3.314 11.144 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.437 2.097 11.640 1.00 0.01 C ATOM 2573 C ASP A 161 -9.491 1.563 10.562 1.00 0.01 C ATOM 2574 O ASP A 161 -8.613 0.768 10.834 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.462 1.015 11.989 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.773 -0.114 12.757 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.976 0.190 13.630 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.057 -1.263 12.462 1.00 0.00 O ATOM 0 H ASP A 161 -12.145 3.226 11.023 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.864 2.359 12.530 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -12.265 1.441 12.591 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.918 0.624 11.079 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.657 2.005 9.337 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.756 1.533 8.235 1.00 0.01 C ATOM 2585 C TRP A 162 -7.651 2.579 8.023 1.00 0.01 C ATOM 2586 O TRP A 162 -6.909 2.515 7.063 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.574 1.384 6.921 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.466 0.011 6.307 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -8.416 -0.855 6.400 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.448 -0.644 5.458 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -8.725 -2.002 5.695 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -9.960 -1.917 5.091 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -11.714 -0.256 4.986 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -10.701 -2.776 4.280 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -12.459 -1.115 4.167 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -11.954 -2.372 3.816 1.00 0.01 C ATOM 0 H TRP A 162 -10.376 2.671 9.053 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.320 0.570 8.501 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.622 1.602 7.126 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -9.230 2.126 6.200 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -7.496 -0.674 6.936 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -8.112 -2.815 5.630 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.115 0.710 5.256 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -10.309 -3.746 4.013 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.428 -0.805 3.805 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -12.534 -3.030 3.186 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.515 3.525 8.906 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.437 4.536 8.738 1.00 0.01 C ATOM 2609 C GLY A 163 -6.839 5.576 7.690 1.00 0.01 C ATOM 2610 O GLY A 163 -6.038 6.378 7.253 1.00 0.01 O ATOM 0 H GLY A 163 -8.100 3.642 9.733 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.239 5.028 9.690 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.512 4.044 8.435 1.00 0.01 H new ATOM 2614 N ALA A 164 -8.075 5.544 7.261 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.545 6.501 6.212 1.00 0.02 C ATOM 2616 C ALA A 164 -9.292 7.663 6.860 1.00 0.01 C ATOM 2617 O ALA A 164 -10.019 7.498 7.818 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.517 5.772 5.283 1.00 0.01 C ATOM 0 H ALA A 164 -8.784 4.891 7.595 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.683 6.878 5.661 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.868 6.458 4.513 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -9.009 4.929 4.814 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.367 5.408 5.859 1.00 0.01 H new ATOM 2624 N ALA A 165 -9.110 8.842 6.331 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.796 10.038 6.892 1.00 0.01 C ATOM 2626 C ALA A 165 -11.199 10.172 6.292 1.00 0.02 C ATOM 2627 O ALA A 165 -11.995 10.967 6.750 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.991 11.296 6.560 1.00 0.59 C ATOM 0 H ALA A 165 -8.510 9.028 5.527 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.874 9.921 7.973 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.496 12.170 6.972 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.994 11.215 6.993 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.909 11.401 5.478 1.00 0.59 H new ATOM 2634 N SER A 166 -11.529 9.401 5.283 1.00 0.01 N ATOM 2635 CA SER A 166 -12.895 9.485 4.678 1.00 0.01 C ATOM 2636 C SER A 166 -13.320 8.078 4.203 1.00 0.02 C ATOM 2637 O SER A 166 -12.477 7.283 3.837 1.00 0.01 O ATOM 2638 CB SER A 166 -12.862 10.435 3.481 1.00 0.72 C ATOM 2639 OG SER A 166 -12.710 11.771 3.945 1.00 0.87 O ATOM 0 H SER A 166 -10.909 8.716 4.852 1.00 0.01 H new ATOM 0 HA SER A 166 -13.605 9.857 5.417 1.00 0.01 H new ATOM 0 HB2 SER A 166 -12.039 10.173 2.817 1.00 0.72 H new ATOM 0 HB3 SER A 166 -13.781 10.341 2.902 1.00 0.72 H new ATOM 0 HG SER A 166 -12.687 12.382 3.180 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.602 7.758 4.183 1.00 0.02 N ATOM 2646 CA PRO A 167 -15.051 6.409 3.711 1.00 0.01 C ATOM 2647 C PRO A 167 -15.014 6.282 2.178 1.00 0.01 C ATOM 2648 O PRO A 167 -15.718 5.473 1.602 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.501 6.376 4.215 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.953 7.831 4.389 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.694 8.680 4.628 1.00 0.22 C ATOM 0 HA PRO A 167 -14.419 5.597 4.071 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.144 5.856 3.505 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.568 5.837 5.160 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.485 8.176 3.503 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.641 7.921 5.229 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.709 9.603 4.048 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.586 8.963 5.675 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.240 7.095 1.509 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.222 7.030 0.017 1.00 0.01 C ATOM 2661 C ALA A 168 -13.289 5.926 -0.501 1.00 0.01 C ATOM 2662 O ALA A 168 -12.117 5.859 -0.186 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.745 8.374 -0.534 1.00 0.18 C ATOM 0 H ALA A 168 -13.625 7.795 1.925 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.234 6.803 -0.319 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.729 8.336 -1.623 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.424 9.162 -0.209 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.742 8.584 -0.163 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.848 5.073 -1.316 1.00 0.01 N ATOM 2670 CA ILE A 169 -13.090 3.940 -1.931 1.00 0.01 C ATOM 2671 C ILE A 169 -13.672 3.727 -3.330 1.00 0.01 C ATOM 2672 O ILE A 169 -14.871 3.588 -3.479 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.304 2.679 -1.076 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.877 2.975 0.372 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.498 1.482 -1.641 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.909 1.684 1.194 1.00 3.99 C ATOM 0 H ILE A 169 -14.829 5.115 -1.590 1.00 0.01 H new ATOM 0 HA ILE A 169 -12.022 4.149 -1.986 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.360 2.409 -1.100 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.874 3.401 0.386 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.544 3.715 0.814 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.667 0.603 -1.018 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.824 1.273 -2.660 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.436 1.727 -1.643 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.606 1.898 2.219 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.920 1.276 1.192 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -12.224 0.957 0.757 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.855 3.740 -4.368 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.390 3.584 -5.766 1.00 0.01 C ATOM 2690 C GLN A 170 -12.968 2.261 -6.421 1.00 0.02 C ATOM 2691 O GLN A 170 -13.622 1.815 -7.343 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.894 4.745 -6.630 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.534 6.051 -6.152 1.00 3.39 C ATOM 2694 CD GLN A 170 -15.006 6.080 -6.567 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.873 6.352 -5.759 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.329 5.810 -7.802 1.00 5.17 N ATOM 0 H GLN A 170 -11.843 3.852 -4.305 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.478 3.583 -5.695 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.808 4.817 -6.571 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.145 4.567 -7.676 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.449 6.135 -5.069 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -13.008 6.904 -6.580 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -14.603 5.582 -8.481 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.308 5.827 -8.089 1.00 5.17 H new ATOM 2705 N SER A 171 -11.918 1.601 -5.998 1.00 0.01 N ATOM 2706 CA SER A 171 -11.563 0.312 -6.679 1.00 0.01 C ATOM 2707 C SER A 171 -10.722 -0.556 -5.738 1.00 0.01 C ATOM 2708 O SER A 171 -10.106 -0.068 -4.811 1.00 0.01 O ATOM 2709 CB SER A 171 -10.769 0.610 -7.956 1.00 0.01 C ATOM 2710 OG SER A 171 -9.376 0.540 -7.677 1.00 0.02 O ATOM 0 H SER A 171 -11.306 1.886 -5.234 1.00 0.01 H new ATOM 0 HA SER A 171 -12.476 -0.223 -6.938 1.00 0.01 H new ATOM 0 HB2 SER A 171 -11.031 -0.106 -8.735 1.00 0.01 H new ATOM 0 HB3 SER A 171 -11.026 1.600 -8.334 1.00 0.01 H new ATOM 0 HG SER A 171 -8.924 1.314 -8.074 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.660 -1.844 -5.986 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.820 -2.724 -5.115 1.00 0.01 C ATOM 2718 C PHE A 172 -9.335 -3.953 -5.893 1.00 0.01 C ATOM 2719 O PHE A 172 -9.944 -4.369 -6.859 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.593 -3.155 -3.859 1.00 1.06 C ATOM 2721 CG PHE A 172 -11.995 -3.619 -4.195 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.195 -4.831 -4.867 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.099 -2.848 -3.802 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.494 -5.268 -5.151 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.398 -3.290 -4.082 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.596 -4.498 -4.757 1.00 1.92 C ATOM 0 H PHE A 172 -11.149 -2.318 -6.745 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.950 -2.149 -4.798 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.054 -3.959 -3.358 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.644 -2.321 -3.159 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.347 -5.429 -5.166 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -12.947 -1.913 -3.283 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.647 -6.200 -5.675 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.247 -2.697 -3.776 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.598 -4.837 -4.975 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.224 -4.524 -5.487 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.667 -5.713 -6.211 1.00 0.01 C ATOM 2738 C ARG A 173 -7.025 -6.688 -5.217 1.00 0.01 C ATOM 2739 O ARG A 173 -6.526 -6.303 -4.178 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.576 -5.249 -7.190 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.201 -4.569 -8.408 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.110 -3.829 -9.188 1.00 0.01 C ATOM 2743 NE ARG A 173 -4.875 -4.661 -9.235 1.00 0.01 N ATOM 2744 CZ ARG A 173 -3.934 -4.378 -10.093 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -4.077 -3.374 -10.914 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -2.849 -5.103 -10.132 1.00 0.01 N ATOM 0 H ARG A 173 -7.677 -4.216 -4.683 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.481 -6.206 -6.743 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.899 -4.558 -6.688 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -5.979 -6.103 -7.510 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -7.682 -5.310 -9.046 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.976 -3.871 -8.092 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.454 -3.615 -10.200 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -5.897 -2.871 -8.714 1.00 0.01 H new ATOM 0 HE ARG A 173 -4.766 -5.450 -8.598 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -4.926 -2.809 -10.886 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -3.340 -3.154 -11.584 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -2.738 -5.890 -9.492 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -2.112 -4.883 -10.802 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.029 -7.953 -5.546 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.413 -8.976 -4.649 1.00 0.01 C ATOM 2762 C ARG A 174 -4.923 -9.117 -4.988 1.00 0.01 C ATOM 2763 O ARG A 174 -4.535 -9.078 -6.138 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.101 -10.326 -4.859 1.00 0.01 C ATOM 2765 CG ARG A 174 -6.984 -10.738 -6.328 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.804 -12.007 -6.570 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.633 -12.446 -7.984 1.00 0.01 N ATOM 2768 CZ ARG A 174 -7.987 -13.650 -8.339 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.488 -14.470 -7.455 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -7.843 -14.036 -9.578 1.00 0.01 N ATOM 0 H ARG A 174 -7.436 -8.325 -6.404 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.531 -8.663 -3.612 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.643 -11.082 -4.221 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.150 -10.259 -4.572 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.341 -9.934 -6.972 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -5.939 -10.913 -6.585 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.481 -12.796 -5.891 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.857 -11.818 -6.361 1.00 0.01 H new ATOM 0 HE ARG A 174 -7.240 -11.805 -8.673 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -8.602 -14.169 -6.487 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -8.765 -15.412 -7.732 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -7.453 -13.396 -10.270 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.120 -14.978 -9.854 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.086 -9.304 -3.997 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.622 -9.473 -4.284 1.00 0.01 C ATOM 2786 C ILE A 175 -2.309 -10.966 -4.424 1.00 0.00 C ATOM 2787 O ILE A 175 -2.651 -11.760 -3.569 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.762 -8.901 -3.151 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.244 -7.496 -2.775 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.306 -8.823 -3.619 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.282 -6.884 -1.746 1.00 3.04 C ATOM 0 H ILE A 175 -4.346 -9.347 -3.012 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.392 -8.936 -5.204 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.844 -9.550 -2.279 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.292 -6.866 -3.663 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.252 -7.544 -2.363 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.312 -8.417 -2.818 1.00 1.75 H new ATOM 0 HG22 ILE A 175 0.047 -9.821 -3.879 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.239 -8.175 -4.493 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.624 -5.884 -1.478 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.257 -7.510 -0.854 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.282 -6.822 -2.175 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.660 -11.358 -5.492 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.321 -12.804 -5.689 1.00 0.00 C ATOM 2805 C VAL A 176 0.120 -12.932 -6.190 1.00 0.01 C ATOM 2806 O VAL A 176 0.613 -12.089 -6.914 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.259 -13.414 -6.732 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.098 -14.934 -6.736 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -3.706 -13.056 -6.384 1.00 1.89 C ATOM 0 H VAL A 176 -1.349 -10.738 -6.239 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.431 -13.327 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.012 -13.020 -7.718 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.766 -15.369 -7.479 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -1.067 -15.190 -6.981 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -2.345 -15.329 -5.751 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -4.377 -13.490 -7.126 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -3.952 -13.451 -5.398 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -3.822 -11.972 -6.380 1.00 1.89 H new ATOM 2819 N GLU A 177 0.796 -13.981 -5.810 1.00 0.01 N ATOM 2820 CA GLU A 177 2.204 -14.174 -6.261 1.00 0.01 C ATOM 2821 C GLU A 177 2.639 -15.611 -5.969 1.00 0.01 C ATOM 2822 CB GLU A 177 3.118 -13.204 -5.509 1.00 2.15 C ATOM 2823 CG GLU A 177 4.536 -13.298 -6.077 1.00 3.19 C ATOM 2824 CD GLU A 177 5.396 -12.179 -5.487 1.00 4.20 C ATOM 2825 OE1 GLU A 177 5.172 -11.036 -5.847 1.00 4.77 O ATOM 2826 OE2 GLU A 177 6.265 -12.485 -4.687 1.00 4.89 O ATOM 0 H GLU A 177 0.432 -14.716 -5.204 1.00 0.01 H new ATOM 0 HA GLU A 177 2.272 -13.982 -7.332 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.743 -12.185 -5.605 1.00 2.15 H new ATOM 0 HB3 GLU A 177 3.124 -13.443 -4.446 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.971 -14.269 -5.840 1.00 3.19 H new ATOM 0 HG3 GLU A 177 4.510 -13.217 -7.164 1.00 3.19 H new