USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 509 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 77 ASN : amide:sc= -0.832 X(o=-1.3,f=-0.88) USER MOD Set 1.2: A 80 SER OG : rot -50:sc= -0.507 USER MOD Set 2.1: A 49 TYR OH : rot 79:sc= 0.0806 USER MOD Set 2.2: A 53 ASN : amide:sc= -0.0991 K(o=-0.018,f=-2.4!) USER MOD Set 3.1: A 13 ASN : amide:sc= -0.117 K(o=0.12,f=-0.92) USER MOD Set 3.2: A 38 SER OG : rot -57:sc= 0.241! USER MOD Single : A 9 TYR OH : rot 180:sc= -0.552 USER MOD Single : A 11 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-0.81) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 19:sc= 1.02 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= -0.0344 (180deg=-0.248) USER MOD Single : A 37 SER OG : rot -80:sc= 1.24 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 3:sc= -0.507 USER MOD Single : A 66 TYR OH : rot -74:sc= 0.937 USER MOD Single : A 67 SER OG : rot -63:sc= 0.716 USER MOD Single : A 68 SER OG : rot 88:sc= 0.0883 USER MOD Single : A 71 SER OG : rot -25:sc= 1.21 USER MOD Single : A 78 SER OG : rot 180:sc= -0.288 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -5.69! C(o=-5.7!,f=-9.3!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 -6.162 0.972 -8.391 1.00 74.54 N ATOM 53 CA GLU A 5 -7.606 0.955 -8.190 1.00 15.33 C ATOM 54 C GLU A 5 -8.341 1.278 -9.488 1.00 22.21 C ATOM 55 O GLU A 5 -8.461 2.441 -9.874 1.00 62.41 O ATOM 56 CB GLU A 5 -8.003 1.958 -7.104 1.00 33.42 C ATOM 57 CG GLU A 5 -7.111 1.909 -5.875 1.00 30.10 C ATOM 58 CD GLU A 5 -7.746 2.569 -4.666 1.00 42.25 C ATOM 59 OE1 GLU A 5 -8.484 1.878 -3.933 1.00 42.31 O ATOM 60 OE2 GLU A 5 -7.505 3.776 -4.454 1.00 72.12 O ATOM 0 HA GLU A 5 -7.891 -0.048 -7.872 1.00 15.33 H new ATOM 0 HB2 GLU A 5 -7.975 2.964 -7.523 1.00 33.42 H new ATOM 0 HB3 GLU A 5 -9.033 1.766 -6.803 1.00 33.42 H new ATOM 0 HG2 GLU A 5 -6.882 0.870 -5.638 1.00 30.10 H new ATOM 0 HG3 GLU A 5 -6.165 2.402 -6.098 1.00 30.10 H new ATOM 67 N VAL A 6 -8.830 0.239 -10.158 1.00 12.22 N ATOM 68 CA VAL A 6 -9.553 0.411 -11.412 1.00 73.43 C ATOM 69 C VAL A 6 -11.016 0.007 -11.263 1.00 63.43 C ATOM 70 O VAL A 6 -11.346 -1.180 -11.270 1.00 10.33 O ATOM 71 CB VAL A 6 -8.916 -0.417 -12.545 1.00 13.53 C ATOM 72 CG1 VAL A 6 -9.859 -0.507 -13.735 1.00 44.44 C ATOM 73 CG2 VAL A 6 -7.580 0.184 -12.956 1.00 34.32 C ATOM 0 H VAL A 6 -8.738 -0.730 -9.853 1.00 12.22 H new ATOM 0 HA VAL A 6 -9.496 1.469 -11.668 1.00 73.43 H new ATOM 0 HB VAL A 6 -8.736 -1.427 -12.178 1.00 13.53 H new ATOM 0 HG11 VAL A 6 -9.392 -1.095 -14.525 1.00 44.44 H new ATOM 0 HG12 VAL A 6 -10.789 -0.986 -13.427 1.00 44.44 H new ATOM 0 HG13 VAL A 6 -10.073 0.495 -14.107 1.00 44.44 H new ATOM 0 HG21 VAL A 6 -7.144 -0.413 -13.757 1.00 34.32 H new ATOM 0 HG22 VAL A 6 -7.733 1.205 -13.306 1.00 34.32 H new ATOM 0 HG23 VAL A 6 -6.905 0.191 -12.100 1.00 34.32 H new ATOM 83 N ILE A 7 -11.888 1.000 -11.130 1.00 4.23 N ATOM 84 CA ILE A 7 -13.315 0.748 -10.981 1.00 15.13 C ATOM 85 C ILE A 7 -14.069 1.081 -12.264 1.00 33.12 C ATOM 86 O ILE A 7 -13.967 2.191 -12.787 1.00 64.40 O ATOM 87 CB ILE A 7 -13.914 1.566 -9.821 1.00 25.44 C ATOM 88 CG1 ILE A 7 -15.402 1.252 -9.661 1.00 35.40 C ATOM 89 CG2 ILE A 7 -13.703 3.054 -10.057 1.00 62.44 C ATOM 90 CD1 ILE A 7 -16.017 1.853 -8.416 1.00 42.14 C ATOM 0 H ILE A 7 -11.631 1.987 -11.122 1.00 4.23 H new ATOM 0 HA ILE A 7 -13.426 -0.314 -10.761 1.00 15.13 H new ATOM 0 HB ILE A 7 -13.403 1.289 -8.899 1.00 25.44 H new ATOM 0 HG12 ILE A 7 -15.939 1.620 -10.535 1.00 35.40 H new ATOM 0 HG13 ILE A 7 -15.536 0.171 -9.637 1.00 35.40 H new ATOM 0 HG21 ILE A 7 -14.132 3.618 -9.229 1.00 62.44 H new ATOM 0 HG22 ILE A 7 -12.636 3.264 -10.125 1.00 62.44 H new ATOM 0 HG23 ILE A 7 -14.190 3.348 -10.987 1.00 62.44 H new ATOM 0 HD11 ILE A 7 -17.074 1.589 -8.368 1.00 42.14 H new ATOM 0 HD12 ILE A 7 -15.506 1.466 -7.534 1.00 42.14 H new ATOM 0 HD13 ILE A 7 -15.915 2.938 -8.447 1.00 42.14 H new ATOM 102 N VAL A 8 -14.829 0.112 -12.766 1.00 1.33 N ATOM 103 CA VAL A 8 -15.603 0.303 -13.986 1.00 72.23 C ATOM 104 C VAL A 8 -16.968 -0.368 -13.882 1.00 31.34 C ATOM 105 O VAL A 8 -17.165 -1.276 -13.073 1.00 62.14 O ATOM 106 CB VAL A 8 -14.861 -0.257 -15.215 1.00 12.53 C ATOM 107 CG1 VAL A 8 -13.522 0.442 -15.393 1.00 63.23 C ATOM 108 CG2 VAL A 8 -14.674 -1.761 -15.085 1.00 15.44 C ATOM 0 H VAL A 8 -14.925 -0.813 -12.346 1.00 1.33 H new ATOM 0 HA VAL A 8 -15.738 1.378 -14.110 1.00 72.23 H new ATOM 0 HB VAL A 8 -15.465 -0.065 -16.102 1.00 12.53 H new ATOM 0 HG11 VAL A 8 -13.012 0.034 -16.265 1.00 63.23 H new ATOM 0 HG12 VAL A 8 -13.685 1.510 -15.535 1.00 63.23 H new ATOM 0 HG13 VAL A 8 -12.908 0.283 -14.506 1.00 63.23 H new ATOM 0 HG21 VAL A 8 -14.148 -2.139 -15.962 1.00 15.44 H new ATOM 0 HG22 VAL A 8 -14.091 -1.979 -14.190 1.00 15.44 H new ATOM 0 HG23 VAL A 8 -15.648 -2.244 -15.010 1.00 15.44 H new ATOM 118 N TYR A 9 -17.908 0.084 -14.704 1.00 61.33 N ATOM 119 CA TYR A 9 -19.256 -0.472 -14.703 1.00 51.43 C ATOM 120 C TYR A 9 -19.613 -1.037 -16.075 1.00 14.34 C ATOM 121 O TYR A 9 -19.360 -0.408 -17.102 1.00 22.33 O ATOM 122 CB TYR A 9 -20.271 0.599 -14.300 1.00 51.44 C ATOM 123 CG TYR A 9 -20.377 0.802 -12.806 1.00 30.53 C ATOM 124 CD1 TYR A 9 -19.260 1.137 -12.050 1.00 34.34 C ATOM 125 CD2 TYR A 9 -21.593 0.656 -12.149 1.00 40.45 C ATOM 126 CE1 TYR A 9 -19.352 1.322 -10.684 1.00 31.34 C ATOM 127 CE2 TYR A 9 -21.694 0.841 -10.784 1.00 73.02 C ATOM 128 CZ TYR A 9 -20.571 1.173 -10.056 1.00 12.23 C ATOM 129 OH TYR A 9 -20.668 1.357 -8.695 1.00 63.53 O ATOM 0 H TYR A 9 -17.762 0.834 -15.380 1.00 61.33 H new ATOM 0 HA TYR A 9 -19.287 -1.284 -13.977 1.00 51.43 H new ATOM 0 HB2 TYR A 9 -19.994 1.544 -14.768 1.00 51.44 H new ATOM 0 HB3 TYR A 9 -21.251 0.325 -14.691 1.00 51.44 H new ATOM 0 HD1 TYR A 9 -18.304 1.255 -12.539 1.00 34.34 H new ATOM 0 HD2 TYR A 9 -22.474 0.393 -12.716 1.00 40.45 H new ATOM 0 HE1 TYR A 9 -18.474 1.582 -10.111 1.00 31.34 H new ATOM 0 HE2 TYR A 9 -22.647 0.726 -10.290 1.00 73.02 H new ATOM 0 HH TYR A 9 -21.595 1.216 -8.411 1.00 63.53 H new ATOM 139 N GLU A 10 -20.205 -2.227 -16.081 1.00 63.40 N ATOM 140 CA GLU A 10 -20.597 -2.878 -17.326 1.00 12.04 C ATOM 141 C GLU A 10 -22.060 -2.591 -17.652 1.00 0.12 C ATOM 142 O GLU A 10 -22.733 -3.394 -18.299 1.00 23.32 O ATOM 143 CB GLU A 10 -20.371 -4.388 -17.231 1.00 32.32 C ATOM 144 CG GLU A 10 -18.914 -4.796 -17.370 1.00 51.23 C ATOM 145 CD GLU A 10 -18.049 -4.262 -16.246 1.00 3.45 C ATOM 146 OE1 GLU A 10 -18.474 -4.356 -15.075 1.00 3.01 O ATOM 147 OE2 GLU A 10 -16.948 -3.749 -16.535 1.00 65.43 O ATOM 0 H GLU A 10 -20.424 -2.760 -15.239 1.00 63.40 H new ATOM 0 HA GLU A 10 -19.978 -2.475 -18.128 1.00 12.04 H new ATOM 0 HB2 GLU A 10 -20.749 -4.744 -16.273 1.00 32.32 H new ATOM 0 HB3 GLU A 10 -20.954 -4.884 -18.007 1.00 32.32 H new ATOM 0 HG2 GLU A 10 -18.846 -5.884 -17.391 1.00 51.23 H new ATOM 0 HG3 GLU A 10 -18.529 -4.434 -18.323 1.00 51.23 H new ATOM 154 N HIS A 11 -22.546 -1.440 -17.199 1.00 14.24 N ATOM 155 CA HIS A 11 -23.930 -1.046 -17.442 1.00 4.32 C ATOM 156 C HIS A 11 -24.199 0.355 -16.899 1.00 61.42 C ATOM 157 O HIS A 11 -23.274 1.074 -16.523 1.00 4.31 O ATOM 158 CB HIS A 11 -24.888 -2.048 -16.798 1.00 52.20 C ATOM 159 CG HIS A 11 -25.971 -2.517 -17.720 1.00 34.54 C ATOM 160 ND1 HIS A 11 -26.480 -1.742 -18.740 1.00 13.22 N ATOM 161 CD2 HIS A 11 -26.642 -3.692 -17.772 1.00 21.22 C ATOM 162 CE1 HIS A 11 -27.418 -2.418 -19.379 1.00 31.44 C ATOM 163 NE2 HIS A 11 -27.535 -3.605 -18.811 1.00 73.30 N ATOM 0 H HIS A 11 -22.003 -0.764 -16.662 1.00 14.24 H new ATOM 0 HA HIS A 11 -24.096 -1.037 -18.519 1.00 4.32 H new ATOM 0 HB2 HIS A 11 -24.319 -2.910 -16.450 1.00 52.20 H new ATOM 0 HB3 HIS A 11 -25.343 -1.591 -15.919 1.00 52.20 H new ATOM 0 HD2 HIS A 11 -26.501 -4.540 -17.118 1.00 21.22 H new ATOM 0 HE1 HIS A 11 -27.991 -2.061 -20.222 1.00 31.44 H new ATOM 0 HE2 HIS A 11 -28.184 -4.338 -19.098 1.00 73.30 H new ATOM 171 N VAL A 12 -25.472 0.735 -16.862 1.00 50.15 N ATOM 172 CA VAL A 12 -25.863 2.049 -16.366 1.00 32.02 C ATOM 173 C VAL A 12 -25.472 2.222 -14.903 1.00 3.33 C ATOM 174 O VAL A 12 -25.410 1.253 -14.147 1.00 40.42 O ATOM 175 CB VAL A 12 -27.380 2.275 -16.510 1.00 61.22 C ATOM 176 CG1 VAL A 12 -28.148 1.367 -15.562 1.00 22.12 C ATOM 177 CG2 VAL A 12 -27.727 3.735 -16.262 1.00 22.14 C ATOM 0 H VAL A 12 -26.250 0.152 -17.170 1.00 50.15 H new ATOM 0 HA VAL A 12 -25.334 2.786 -16.971 1.00 32.02 H new ATOM 0 HB VAL A 12 -27.672 2.024 -17.530 1.00 61.22 H new ATOM 0 HG11 VAL A 12 -29.218 1.541 -15.678 1.00 22.12 H new ATOM 0 HG12 VAL A 12 -27.923 0.326 -15.793 1.00 22.12 H new ATOM 0 HG13 VAL A 12 -27.855 1.582 -14.534 1.00 22.12 H new ATOM 0 HG21 VAL A 12 -28.803 3.876 -16.368 1.00 22.14 H new ATOM 0 HG22 VAL A 12 -27.422 4.015 -15.254 1.00 22.14 H new ATOM 0 HG23 VAL A 12 -27.206 4.361 -16.986 1.00 22.14 H new ATOM 187 N ASN A 13 -25.208 3.464 -14.509 1.00 54.34 N ATOM 188 CA ASN A 13 -24.822 3.765 -13.136 1.00 14.44 C ATOM 189 C ASN A 13 -25.816 3.164 -12.147 1.00 34.50 C ATOM 190 O ASN A 13 -25.438 2.408 -11.252 1.00 61.50 O ATOM 191 CB ASN A 13 -24.733 5.279 -12.929 1.00 33.21 C ATOM 192 CG ASN A 13 -23.311 5.794 -13.034 1.00 22.24 C ATOM 193 OD1 ASN A 13 -22.370 5.152 -12.566 1.00 73.52 O ATOM 194 ND2 ASN A 13 -23.147 6.959 -13.649 1.00 54.03 N ATOM 0 H ASN A 13 -25.255 4.278 -15.122 1.00 54.34 H new ATOM 0 HA ASN A 13 -23.843 3.322 -12.955 1.00 14.44 H new ATOM 0 HB2 ASN A 13 -25.354 5.781 -13.670 1.00 33.21 H new ATOM 0 HB3 ASN A 13 -25.137 5.533 -11.949 1.00 33.21 H new ATOM 0 HD21 ASN A 13 -22.213 7.356 -13.749 1.00 54.03 H new ATOM 0 HD22 ASN A 13 -23.955 7.457 -14.022 1.00 54.03 H new ATOM 201 N PHE A 14 -27.090 3.504 -12.316 1.00 21.24 N ATOM 202 CA PHE A 14 -28.139 2.998 -11.438 1.00 71.33 C ATOM 203 C PHE A 14 -28.658 1.651 -11.932 1.00 72.53 C ATOM 204 O PHE A 14 -29.862 1.397 -11.928 1.00 10.21 O ATOM 205 CB PHE A 14 -29.291 4.001 -11.354 1.00 51.23 C ATOM 206 CG PHE A 14 -29.831 4.408 -12.696 1.00 31.34 C ATOM 207 CD1 PHE A 14 -29.277 5.474 -13.386 1.00 73.40 C ATOM 208 CD2 PHE A 14 -30.893 3.724 -13.266 1.00 1.02 C ATOM 209 CE1 PHE A 14 -29.771 5.850 -14.621 1.00 15.12 C ATOM 210 CE2 PHE A 14 -31.391 4.096 -14.500 1.00 61.43 C ATOM 211 CZ PHE A 14 -30.830 5.161 -15.178 1.00 74.31 C ATOM 0 H PHE A 14 -27.421 4.127 -13.052 1.00 21.24 H new ATOM 0 HA PHE A 14 -27.712 2.861 -10.444 1.00 71.33 H new ATOM 0 HB2 PHE A 14 -30.098 3.567 -10.763 1.00 51.23 H new ATOM 0 HB3 PHE A 14 -28.950 4.890 -10.824 1.00 51.23 H new ATOM 0 HD1 PHE A 14 -28.450 6.017 -12.954 1.00 73.40 H new ATOM 0 HD2 PHE A 14 -31.336 2.891 -12.740 1.00 1.02 H new ATOM 0 HE1 PHE A 14 -29.329 6.682 -15.150 1.00 15.12 H new ATOM 0 HE2 PHE A 14 -32.218 3.554 -14.934 1.00 61.43 H new ATOM 0 HZ PHE A 14 -31.219 5.454 -16.142 1.00 74.31 H new ATOM 221 N GLY A 15 -27.739 0.789 -12.359 1.00 14.12 N ATOM 222 CA GLY A 15 -28.123 -0.521 -12.851 1.00 23.22 C ATOM 223 C GLY A 15 -26.961 -1.268 -13.477 1.00 15.04 C ATOM 224 O GLY A 15 -27.118 -1.923 -14.506 1.00 32.30 O ATOM 0 H GLY A 15 -26.736 0.975 -12.373 1.00 14.12 H new ATOM 0 HA2 GLY A 15 -28.529 -1.110 -12.029 1.00 23.22 H new ATOM 0 HA3 GLY A 15 -28.919 -0.410 -13.587 1.00 23.22 H new ATOM 228 N GLY A 16 -25.791 -1.168 -12.854 1.00 42.11 N ATOM 229 CA GLY A 16 -24.615 -1.843 -13.372 1.00 51.11 C ATOM 230 C GLY A 16 -23.780 -2.476 -12.277 1.00 11.34 C ATOM 231 O GLY A 16 -23.979 -2.197 -11.094 1.00 33.11 O ATOM 0 H GLY A 16 -25.636 -0.632 -12.000 1.00 42.11 H new ATOM 0 HA2 GLY A 16 -24.924 -2.612 -14.080 1.00 51.11 H new ATOM 0 HA3 GLY A 16 -24.004 -1.129 -13.924 1.00 51.11 H new ATOM 235 N LYS A 17 -22.843 -3.332 -12.669 1.00 42.41 N ATOM 236 CA LYS A 17 -21.974 -4.007 -11.713 1.00 21.14 C ATOM 237 C LYS A 17 -20.725 -3.178 -11.432 1.00 42.22 C ATOM 238 O LYS A 17 -20.067 -2.698 -12.355 1.00 64.11 O ATOM 239 CB LYS A 17 -21.575 -5.387 -12.241 1.00 1.12 C ATOM 240 CG LYS A 17 -20.077 -5.638 -12.215 1.00 32.31 C ATOM 241 CD LYS A 17 -19.735 -7.021 -12.744 1.00 23.14 C ATOM 242 CE LYS A 17 -20.199 -7.199 -14.181 1.00 31.10 C ATOM 243 NZ LYS A 17 -19.445 -8.277 -14.878 1.00 62.31 N ATOM 0 H LYS A 17 -22.666 -3.575 -13.644 1.00 42.41 H new ATOM 0 HA LYS A 17 -22.526 -4.127 -10.781 1.00 21.14 H new ATOM 0 HB2 LYS A 17 -22.074 -6.152 -11.646 1.00 1.12 H new ATOM 0 HB3 LYS A 17 -21.935 -5.493 -13.264 1.00 1.12 H new ATOM 0 HG2 LYS A 17 -19.570 -4.882 -12.815 1.00 32.31 H new ATOM 0 HG3 LYS A 17 -19.708 -5.536 -11.195 1.00 32.31 H new ATOM 0 HD2 LYS A 17 -18.658 -7.177 -12.686 1.00 23.14 H new ATOM 0 HD3 LYS A 17 -20.201 -7.778 -12.114 1.00 23.14 H new ATOM 0 HE2 LYS A 17 -21.263 -7.435 -14.192 1.00 31.10 H new ATOM 0 HE3 LYS A 17 -20.074 -6.261 -14.722 1.00 31.10 H new ATOM 0 HZ1 LYS A 17 -19.791 -8.367 -15.855 1.00 62.31 H new ATOM 0 HZ2 LYS A 17 -18.432 -8.040 -14.890 1.00 62.31 H new ATOM 0 HZ3 LYS A 17 -19.584 -9.178 -14.377 1.00 62.31 H new ATOM 257 N SER A 18 -20.403 -3.014 -10.153 1.00 35.22 N ATOM 258 CA SER A 18 -19.234 -2.241 -9.751 1.00 53.12 C ATOM 259 C SER A 18 -18.017 -3.145 -9.581 1.00 32.01 C ATOM 260 O SER A 18 -17.899 -3.866 -8.590 1.00 22.01 O ATOM 261 CB SER A 18 -19.515 -1.493 -8.446 1.00 62.13 C ATOM 262 OG SER A 18 -19.656 -2.395 -7.362 1.00 44.40 O ATOM 0 H SER A 18 -20.936 -3.407 -9.377 1.00 35.22 H new ATOM 0 HA SER A 18 -19.020 -1.517 -10.537 1.00 53.12 H new ATOM 0 HB2 SER A 18 -18.702 -0.796 -8.240 1.00 62.13 H new ATOM 0 HB3 SER A 18 -20.424 -0.901 -8.551 1.00 62.13 H new ATOM 0 HG SER A 18 -19.253 -3.256 -7.599 1.00 44.40 H new ATOM 268 N PHE A 19 -17.114 -3.101 -10.555 1.00 54.10 N ATOM 269 CA PHE A 19 -15.906 -3.916 -10.515 1.00 30.20 C ATOM 270 C PHE A 19 -14.674 -3.051 -10.267 1.00 0.22 C ATOM 271 O PHE A 19 -14.143 -2.429 -11.187 1.00 70.34 O ATOM 272 CB PHE A 19 -15.744 -4.690 -11.825 1.00 20.42 C ATOM 273 CG PHE A 19 -15.163 -6.063 -11.642 1.00 33.44 C ATOM 274 CD1 PHE A 19 -15.756 -6.971 -10.779 1.00 32.30 C ATOM 275 CD2 PHE A 19 -14.025 -6.446 -12.332 1.00 71.55 C ATOM 276 CE1 PHE A 19 -15.223 -8.235 -10.608 1.00 74.01 C ATOM 277 CE2 PHE A 19 -13.488 -7.709 -12.166 1.00 21.20 C ATOM 278 CZ PHE A 19 -14.089 -8.605 -11.303 1.00 44.14 C ATOM 0 H PHE A 19 -17.196 -2.509 -11.382 1.00 54.10 H new ATOM 0 HA PHE A 19 -16.003 -4.624 -9.692 1.00 30.20 H new ATOM 0 HB2 PHE A 19 -16.717 -4.777 -12.309 1.00 20.42 H new ATOM 0 HB3 PHE A 19 -15.103 -4.120 -12.498 1.00 20.42 H new ATOM 0 HD1 PHE A 19 -16.644 -6.688 -10.234 1.00 32.30 H new ATOM 0 HD2 PHE A 19 -13.551 -5.750 -13.008 1.00 71.55 H new ATOM 0 HE1 PHE A 19 -15.693 -8.933 -9.931 1.00 74.01 H new ATOM 0 HE2 PHE A 19 -12.600 -7.995 -12.710 1.00 21.20 H new ATOM 0 HZ PHE A 19 -13.673 -9.593 -11.172 1.00 44.14 H new ATOM 461 N ASP A 34 -24.284 -3.515 -25.883 1.00 33.51 N ATOM 462 CA ASP A 34 -23.467 -2.326 -25.676 1.00 45.10 C ATOM 463 C ASP A 34 -24.334 -1.130 -25.295 1.00 25.14 C ATOM 464 O ASP A 34 -24.525 -0.210 -26.089 1.00 54.44 O ATOM 465 CB ASP A 34 -22.663 -2.007 -26.938 1.00 32.30 C ATOM 466 CG ASP A 34 -21.224 -2.473 -26.841 1.00 3.11 C ATOM 467 OD1 ASP A 34 -20.754 -2.719 -25.710 1.00 34.32 O ATOM 468 OD2 ASP A 34 -20.567 -2.592 -27.896 1.00 3.21 O ATOM 0 HA ASP A 34 -22.777 -2.528 -24.856 1.00 45.10 H new ATOM 0 HB2 ASP A 34 -23.138 -2.481 -27.797 1.00 32.30 H new ATOM 0 HB3 ASP A 34 -22.682 -0.932 -27.115 1.00 32.30 H new ATOM 473 N LYS A 35 -24.856 -1.151 -24.073 1.00 55.43 N ATOM 474 CA LYS A 35 -25.703 -0.069 -23.585 1.00 14.22 C ATOM 475 C LYS A 35 -24.900 0.909 -22.734 1.00 1.32 C ATOM 476 O LYS A 35 -23.681 0.784 -22.612 1.00 41.22 O ATOM 477 CB LYS A 35 -26.868 -0.634 -22.769 1.00 20.14 C ATOM 478 CG LYS A 35 -27.887 -1.388 -23.605 1.00 33.22 C ATOM 479 CD LYS A 35 -28.538 -0.485 -24.639 1.00 13.13 C ATOM 480 CE LYS A 35 -29.242 0.694 -23.985 1.00 1.34 C ATOM 481 NZ LYS A 35 -30.264 0.252 -22.996 1.00 23.41 N ATOM 0 H LYS A 35 -24.707 -1.905 -23.403 1.00 55.43 H new ATOM 0 HA LYS A 35 -26.098 0.467 -24.448 1.00 14.22 H new ATOM 0 HB2 LYS A 35 -26.474 -1.302 -22.003 1.00 20.14 H new ATOM 0 HB3 LYS A 35 -27.369 0.184 -22.252 1.00 20.14 H new ATOM 0 HG2 LYS A 35 -27.400 -2.225 -24.106 1.00 33.22 H new ATOM 0 HG3 LYS A 35 -28.653 -1.809 -22.954 1.00 33.22 H new ATOM 0 HD2 LYS A 35 -27.781 -0.119 -25.332 1.00 13.13 H new ATOM 0 HD3 LYS A 35 -29.256 -1.059 -25.225 1.00 13.13 H new ATOM 0 HE2 LYS A 35 -28.506 1.326 -23.488 1.00 1.34 H new ATOM 0 HE3 LYS A 35 -29.719 1.303 -24.753 1.00 1.34 H new ATOM 0 HZ1 LYS A 35 -30.846 1.065 -22.711 1.00 23.41 H new ATOM 0 HZ2 LYS A 35 -30.871 -0.475 -23.425 1.00 23.41 H new ATOM 0 HZ3 LYS A 35 -29.789 -0.143 -22.159 1.00 23.41 H new ATOM 495 N ILE A 36 -25.590 1.881 -22.146 1.00 72.24 N ATOM 496 CA ILE A 36 -24.940 2.878 -21.305 1.00 33.11 C ATOM 497 C ILE A 36 -24.007 2.220 -20.294 1.00 43.24 C ATOM 498 O ILE A 36 -24.367 1.235 -19.651 1.00 30.14 O ATOM 499 CB ILE A 36 -25.972 3.737 -20.550 1.00 73.42 C ATOM 500 CG1 ILE A 36 -25.274 4.617 -19.511 1.00 60.44 C ATOM 501 CG2 ILE A 36 -27.015 2.850 -19.886 1.00 71.12 C ATOM 502 CD1 ILE A 36 -26.190 5.632 -18.866 1.00 14.05 C ATOM 0 H ILE A 36 -26.599 1.999 -22.237 1.00 72.24 H new ATOM 0 HA ILE A 36 -24.360 3.520 -21.968 1.00 33.11 H new ATOM 0 HB ILE A 36 -26.477 4.385 -21.266 1.00 73.42 H new ATOM 0 HG12 ILE A 36 -24.847 3.981 -18.736 1.00 60.44 H new ATOM 0 HG13 ILE A 36 -24.444 5.139 -19.988 1.00 60.44 H new ATOM 0 HG21 ILE A 36 -27.737 3.471 -19.356 1.00 71.12 H new ATOM 0 HG22 ILE A 36 -27.530 2.263 -20.646 1.00 71.12 H new ATOM 0 HG23 ILE A 36 -26.526 2.180 -19.179 1.00 71.12 H new ATOM 0 HD11 ILE A 36 -25.628 6.220 -18.141 1.00 14.05 H new ATOM 0 HD12 ILE A 36 -26.597 6.293 -19.631 1.00 14.05 H new ATOM 0 HD13 ILE A 36 -27.006 5.116 -18.360 1.00 14.05 H new ATOM 514 N SER A 37 -22.806 2.773 -20.159 1.00 44.34 N ATOM 515 CA SER A 37 -21.819 2.239 -19.228 1.00 45.42 C ATOM 516 C SER A 37 -21.177 3.360 -18.415 1.00 70.32 C ATOM 517 O SER A 37 -21.213 4.526 -18.808 1.00 34.22 O ATOM 518 CB SER A 37 -20.740 1.462 -19.985 1.00 73.34 C ATOM 519 OG SER A 37 -20.476 0.217 -19.361 1.00 53.14 O ATOM 0 H SER A 37 -22.493 3.591 -20.682 1.00 44.34 H new ATOM 0 HA SER A 37 -22.331 1.563 -18.543 1.00 45.42 H new ATOM 0 HB2 SER A 37 -21.061 1.296 -21.013 1.00 73.34 H new ATOM 0 HB3 SER A 37 -19.825 2.052 -20.028 1.00 73.34 H new ATOM 0 HG SER A 37 -19.883 0.355 -18.593 1.00 53.14 H new ATOM 525 N SER A 38 -20.590 2.997 -17.279 1.00 61.53 N ATOM 526 CA SER A 38 -19.943 3.970 -16.408 1.00 12.43 C ATOM 527 C SER A 38 -18.471 3.626 -16.207 1.00 24.25 C ATOM 528 O SER A 38 -18.133 2.716 -15.448 1.00 42.42 O ATOM 529 CB SER A 38 -20.655 4.027 -15.055 1.00 2.14 C ATOM 530 OG SER A 38 -19.725 4.171 -13.995 1.00 10.30 O ATOM 0 H SER A 38 -20.549 2.036 -16.941 1.00 61.53 H new ATOM 0 HA SER A 38 -20.007 4.948 -16.886 1.00 12.43 H new ATOM 0 HB2 SER A 38 -21.356 4.862 -15.044 1.00 2.14 H new ATOM 0 HB3 SER A 38 -21.239 3.118 -14.909 1.00 2.14 H new ATOM 0 HG SER A 38 -19.079 3.435 -14.024 1.00 10.30 H new ATOM 536 N ILE A 39 -17.599 4.359 -16.891 1.00 72.11 N ATOM 537 CA ILE A 39 -16.163 4.132 -16.787 1.00 50.34 C ATOM 538 C ILE A 39 -15.480 5.268 -16.033 1.00 14.21 C ATOM 539 O ILE A 39 -15.371 6.386 -16.537 1.00 14.20 O ATOM 540 CB ILE A 39 -15.514 3.991 -18.177 1.00 24.33 C ATOM 541 CG1 ILE A 39 -15.667 2.558 -18.692 1.00 2.03 C ATOM 542 CG2 ILE A 39 -14.045 4.384 -18.117 1.00 71.15 C ATOM 543 CD1 ILE A 39 -17.107 2.113 -18.821 1.00 42.20 C ATOM 0 H ILE A 39 -17.862 5.115 -17.523 1.00 72.11 H new ATOM 0 HA ILE A 39 -16.030 3.201 -16.236 1.00 50.34 H new ATOM 0 HB ILE A 39 -16.022 4.662 -18.869 1.00 24.33 H new ATOM 0 HG12 ILE A 39 -15.181 2.476 -19.664 1.00 2.03 H new ATOM 0 HG13 ILE A 39 -15.145 1.880 -18.017 1.00 2.03 H new ATOM 0 HG21 ILE A 39 -13.600 4.279 -19.106 1.00 71.15 H new ATOM 0 HG22 ILE A 39 -13.959 5.420 -17.788 1.00 71.15 H new ATOM 0 HG23 ILE A 39 -13.523 3.735 -17.414 1.00 71.15 H new ATOM 0 HD11 ILE A 39 -17.139 1.088 -19.191 1.00 42.20 H new ATOM 0 HD12 ILE A 39 -17.592 2.162 -17.846 1.00 42.20 H new ATOM 0 HD13 ILE A 39 -17.629 2.767 -19.519 1.00 42.20 H new ATOM 555 N LYS A 40 -15.020 4.974 -14.822 1.00 31.12 N ATOM 556 CA LYS A 40 -14.344 5.968 -13.997 1.00 53.50 C ATOM 557 C LYS A 40 -13.078 5.390 -13.375 1.00 22.53 C ATOM 558 O LYS A 40 -13.135 4.686 -12.366 1.00 73.12 O ATOM 559 CB LYS A 40 -15.282 6.471 -12.897 1.00 50.10 C ATOM 560 CG LYS A 40 -14.668 7.549 -12.020 1.00 73.21 C ATOM 561 CD LYS A 40 -14.621 7.122 -10.563 1.00 24.43 C ATOM 562 CE LYS A 40 -14.848 8.300 -9.629 1.00 3.44 C ATOM 563 NZ LYS A 40 -16.280 8.436 -9.244 1.00 60.42 N ATOM 0 H LYS A 40 -15.103 4.054 -14.389 1.00 31.12 H new ATOM 0 HA LYS A 40 -14.063 6.804 -14.637 1.00 53.50 H new ATOM 0 HB2 LYS A 40 -16.190 6.861 -13.356 1.00 50.10 H new ATOM 0 HB3 LYS A 40 -15.578 5.630 -12.271 1.00 50.10 H new ATOM 0 HG2 LYS A 40 -13.659 7.771 -12.368 1.00 73.21 H new ATOM 0 HG3 LYS A 40 -15.247 8.468 -12.112 1.00 73.21 H new ATOM 0 HD2 LYS A 40 -15.380 6.361 -10.381 1.00 24.43 H new ATOM 0 HD3 LYS A 40 -13.655 6.666 -10.347 1.00 24.43 H new ATOM 0 HE2 LYS A 40 -14.241 8.174 -8.732 1.00 3.44 H new ATOM 0 HE3 LYS A 40 -14.514 9.217 -10.114 1.00 3.44 H new ATOM 0 HZ1 LYS A 40 -16.392 9.250 -8.607 1.00 60.42 H new ATOM 0 HZ2 LYS A 40 -16.857 8.582 -10.097 1.00 60.42 H new ATOM 0 HZ3 LYS A 40 -16.593 7.571 -8.758 1.00 60.42 H new ATOM 577 N VAL A 41 -11.934 5.691 -13.982 1.00 13.45 N ATOM 578 CA VAL A 41 -10.653 5.203 -13.485 1.00 53.02 C ATOM 579 C VAL A 41 -9.541 6.211 -13.751 1.00 65.43 C ATOM 580 O VAL A 41 -9.619 7.006 -14.688 1.00 24.11 O ATOM 581 CB VAL A 41 -10.277 3.857 -14.132 1.00 32.42 C ATOM 582 CG1 VAL A 41 -9.036 3.276 -13.472 1.00 63.34 C ATOM 583 CG2 VAL A 41 -11.442 2.882 -14.047 1.00 62.41 C ATOM 0 H VAL A 41 -11.868 6.271 -14.819 1.00 13.45 H new ATOM 0 HA VAL A 41 -10.762 5.063 -12.410 1.00 53.02 H new ATOM 0 HB VAL A 41 -10.053 4.029 -15.185 1.00 32.42 H new ATOM 0 HG11 VAL A 41 -8.785 2.325 -13.942 1.00 63.34 H new ATOM 0 HG12 VAL A 41 -8.203 3.969 -13.589 1.00 63.34 H new ATOM 0 HG13 VAL A 41 -9.229 3.117 -12.411 1.00 63.34 H new ATOM 0 HG21 VAL A 41 -11.159 1.936 -14.509 1.00 62.41 H new ATOM 0 HG22 VAL A 41 -11.699 2.713 -13.001 1.00 62.41 H new ATOM 0 HG23 VAL A 41 -12.303 3.298 -14.570 1.00 62.41 H new ATOM 593 N LYS A 42 -8.504 6.172 -12.921 1.00 63.44 N ATOM 594 CA LYS A 42 -7.372 7.080 -13.067 1.00 31.43 C ATOM 595 C LYS A 42 -6.052 6.334 -12.903 1.00 64.23 C ATOM 596 O LYS A 42 -5.534 6.205 -11.794 1.00 21.30 O ATOM 597 CB LYS A 42 -7.463 8.209 -12.038 1.00 42.00 C ATOM 598 CG LYS A 42 -6.288 9.171 -12.086 1.00 14.01 C ATOM 599 CD LYS A 42 -6.694 10.568 -11.648 1.00 1.33 C ATOM 600 CE LYS A 42 -7.607 11.230 -12.669 1.00 22.31 C ATOM 601 NZ LYS A 42 -8.668 12.047 -12.017 1.00 62.34 N ATOM 0 H LYS A 42 -8.424 5.521 -12.140 1.00 63.44 H new ATOM 0 HA LYS A 42 -7.406 7.506 -14.070 1.00 31.43 H new ATOM 0 HB2 LYS A 42 -8.385 8.766 -12.203 1.00 42.00 H new ATOM 0 HB3 LYS A 42 -7.527 7.776 -11.040 1.00 42.00 H new ATOM 0 HG2 LYS A 42 -5.489 8.804 -11.441 1.00 14.01 H new ATOM 0 HG3 LYS A 42 -5.888 9.208 -13.099 1.00 14.01 H new ATOM 0 HD2 LYS A 42 -7.202 10.515 -10.685 1.00 1.33 H new ATOM 0 HD3 LYS A 42 -5.803 11.179 -11.505 1.00 1.33 H new ATOM 0 HE2 LYS A 42 -7.015 11.864 -13.329 1.00 22.31 H new ATOM 0 HE3 LYS A 42 -8.070 10.465 -13.293 1.00 22.31 H new ATOM 0 HZ1 LYS A 42 -9.269 12.481 -12.746 1.00 62.34 H new ATOM 0 HZ2 LYS A 42 -9.249 11.438 -11.407 1.00 62.34 H new ATOM 0 HZ3 LYS A 42 -8.227 12.793 -11.442 1.00 62.34 H new ATOM 615 N SER A 43 -5.511 5.846 -14.015 1.00 71.03 N ATOM 616 CA SER A 43 -4.252 5.111 -13.995 1.00 2.14 C ATOM 617 C SER A 43 -3.696 4.946 -15.406 1.00 21.23 C ATOM 618 O SER A 43 -4.106 4.053 -16.146 1.00 71.00 O ATOM 619 CB SER A 43 -4.448 3.739 -13.348 1.00 33.33 C ATOM 620 OG SER A 43 -5.571 3.072 -13.898 1.00 30.32 O ATOM 0 H SER A 43 -5.925 5.947 -14.942 1.00 71.03 H new ATOM 0 HA SER A 43 -3.535 5.683 -13.406 1.00 2.14 H new ATOM 0 HB2 SER A 43 -3.554 3.133 -13.494 1.00 33.33 H new ATOM 0 HB3 SER A 43 -4.581 3.856 -12.273 1.00 33.33 H new ATOM 0 HG SER A 43 -5.674 2.197 -13.469 1.00 30.32 H new ATOM 626 N GLY A 44 -2.758 5.815 -15.771 1.00 72.24 N ATOM 627 CA GLY A 44 -2.161 5.749 -17.092 1.00 44.32 C ATOM 628 C GLY A 44 -3.198 5.740 -18.198 1.00 25.21 C ATOM 629 O GLY A 44 -4.077 6.600 -18.243 1.00 14.35 O ATOM 0 H GLY A 44 -2.401 6.563 -15.176 1.00 72.24 H new ATOM 0 HA2 GLY A 44 -1.495 6.601 -17.229 1.00 44.32 H new ATOM 0 HA3 GLY A 44 -1.548 4.851 -17.166 1.00 44.32 H new ATOM 633 N THR A 45 -3.095 4.764 -19.095 1.00 44.55 N ATOM 634 CA THR A 45 -4.029 4.648 -20.208 1.00 64.01 C ATOM 635 C THR A 45 -4.567 3.227 -20.328 1.00 25.31 C ATOM 636 O THR A 45 -3.900 2.266 -19.942 1.00 41.33 O ATOM 637 CB THR A 45 -3.368 5.049 -21.541 1.00 21.34 C ATOM 638 OG1 THR A 45 -2.240 4.206 -21.801 1.00 4.22 O ATOM 639 CG2 THR A 45 -2.924 6.503 -21.509 1.00 12.43 C ATOM 0 H THR A 45 -2.374 4.043 -19.072 1.00 44.55 H new ATOM 0 HA THR A 45 -4.854 5.330 -20.001 1.00 64.01 H new ATOM 0 HB THR A 45 -4.103 4.928 -22.337 1.00 21.34 H new ATOM 0 HG1 THR A 45 -1.826 4.466 -22.651 1.00 4.22 H new ATOM 0 HG21 THR A 45 -2.460 6.763 -22.461 1.00 12.43 H new ATOM 0 HG22 THR A 45 -3.789 7.144 -21.340 1.00 12.43 H new ATOM 0 HG23 THR A 45 -2.204 6.646 -20.704 1.00 12.43 H new ATOM 647 N TRP A 46 -5.775 3.100 -20.865 1.00 25.12 N ATOM 648 CA TRP A 46 -6.401 1.794 -21.036 1.00 15.12 C ATOM 649 C TRP A 46 -7.035 1.671 -22.417 1.00 50.22 C ATOM 650 O TRP A 46 -7.654 2.613 -22.912 1.00 50.31 O ATOM 651 CB TRP A 46 -7.459 1.568 -19.954 1.00 61.41 C ATOM 652 CG TRP A 46 -7.360 2.536 -18.815 1.00 0.24 C ATOM 653 CD1 TRP A 46 -6.351 2.623 -17.898 1.00 50.34 C ATOM 654 CD2 TRP A 46 -8.307 3.553 -18.470 1.00 2.23 C ATOM 655 NE1 TRP A 46 -6.614 3.633 -17.005 1.00 3.45 N ATOM 656 CE2 TRP A 46 -7.807 4.220 -17.334 1.00 20.22 C ATOM 657 CE3 TRP A 46 -9.527 3.967 -19.011 1.00 1.11 C ATOM 658 CZ2 TRP A 46 -8.487 5.275 -16.731 1.00 44.03 C ATOM 659 CZ3 TRP A 46 -10.200 5.014 -18.411 1.00 53.45 C ATOM 660 CH2 TRP A 46 -9.679 5.659 -17.282 1.00 1.30 C ATOM 0 H TRP A 46 -6.340 3.885 -21.189 1.00 25.12 H new ATOM 0 HA TRP A 46 -5.627 1.032 -20.943 1.00 15.12 H new ATOM 0 HB2 TRP A 46 -8.449 1.646 -20.403 1.00 61.41 H new ATOM 0 HB3 TRP A 46 -7.363 0.553 -19.568 1.00 61.41 H new ATOM 0 HD1 TRP A 46 -5.476 1.991 -17.878 1.00 50.34 H new ATOM 0 HE1 TRP A 46 -6.017 3.902 -16.223 1.00 3.45 H new ATOM 0 HE3 TRP A 46 -9.936 3.478 -19.882 1.00 1.11 H new ATOM 0 HZ2 TRP A 46 -8.088 5.772 -15.859 1.00 44.03 H new ATOM 0 HZ3 TRP A 46 -11.145 5.341 -18.820 1.00 53.45 H new ATOM 0 HH2 TRP A 46 -10.229 6.475 -16.838 1.00 1.30 H new ATOM 671 N ARG A 47 -6.877 0.505 -23.034 1.00 43.05 N ATOM 672 CA ARG A 47 -7.433 0.260 -24.360 1.00 0.33 C ATOM 673 C ARG A 47 -8.777 -0.456 -24.261 1.00 42.25 C ATOM 674 O ARG A 47 -8.848 -1.609 -23.837 1.00 21.32 O ATOM 675 CB ARG A 47 -6.460 -0.570 -25.199 1.00 35.40 C ATOM 676 CG ARG A 47 -5.131 0.121 -25.452 1.00 64.32 C ATOM 677 CD ARG A 47 -4.005 -0.530 -24.663 1.00 74.32 C ATOM 678 NE ARG A 47 -2.709 0.073 -24.960 1.00 22.22 N ATOM 679 CZ ARG A 47 -1.547 -0.522 -24.710 1.00 54.15 C ATOM 680 NH1 ARG A 47 -1.521 -1.729 -24.164 1.00 30.35 N ATOM 681 NH2 ARG A 47 -0.409 0.091 -25.009 1.00 11.31 N ATOM 0 H ARG A 47 -6.369 -0.285 -22.637 1.00 43.05 H new ATOM 0 HA ARG A 47 -7.589 1.223 -24.846 1.00 0.33 H new ATOM 0 HB2 ARG A 47 -6.276 -1.519 -24.694 1.00 35.40 H new ATOM 0 HB3 ARG A 47 -6.927 -0.803 -26.156 1.00 35.40 H new ATOM 0 HG2 ARG A 47 -4.898 0.086 -26.516 1.00 64.32 H new ATOM 0 HG3 ARG A 47 -5.208 1.173 -25.177 1.00 64.32 H new ATOM 0 HD2 ARG A 47 -4.211 -0.440 -23.596 1.00 74.32 H new ATOM 0 HD3 ARG A 47 -3.970 -1.595 -24.892 1.00 74.32 H new ATOM 0 HE ARG A 47 -2.694 1.001 -25.382 1.00 22.22 H new ATOM 0 HH11 ARG A 47 -2.394 -2.204 -23.935 1.00 30.35 H new ATOM 0 HH12 ARG A 47 -0.628 -2.183 -23.973 1.00 30.35 H new ATOM 0 HH21 ARG A 47 -0.425 1.019 -25.431 1.00 11.31 H new ATOM 0 HH22 ARG A 47 0.482 -0.366 -24.817 1.00 11.31 H new ATOM 695 N PHE A 48 -9.840 0.236 -24.656 1.00 54.24 N ATOM 696 CA PHE A 48 -11.182 -0.333 -24.612 1.00 14.34 C ATOM 697 C PHE A 48 -11.609 -0.829 -25.990 1.00 20.31 C ATOM 698 O PHE A 48 -11.415 -0.146 -26.995 1.00 54.54 O ATOM 699 CB PHE A 48 -12.183 0.706 -24.099 1.00 64.40 C ATOM 700 CG PHE A 48 -12.406 0.641 -22.615 1.00 42.41 C ATOM 701 CD1 PHE A 48 -13.336 -0.234 -22.078 1.00 51.04 C ATOM 702 CD2 PHE A 48 -11.685 1.456 -21.757 1.00 21.01 C ATOM 703 CE1 PHE A 48 -13.544 -0.294 -20.713 1.00 61.34 C ATOM 704 CE2 PHE A 48 -11.888 1.400 -20.391 1.00 31.32 C ATOM 705 CZ PHE A 48 -12.818 0.523 -19.868 1.00 72.44 C ATOM 0 H PHE A 48 -9.798 1.192 -25.010 1.00 54.24 H new ATOM 0 HA PHE A 48 -11.167 -1.182 -23.929 1.00 14.34 H new ATOM 0 HB2 PHE A 48 -11.827 1.702 -24.362 1.00 64.40 H new ATOM 0 HB3 PHE A 48 -13.136 0.563 -24.608 1.00 64.40 H new ATOM 0 HD1 PHE A 48 -13.905 -0.877 -22.733 1.00 51.04 H new ATOM 0 HD2 PHE A 48 -10.956 2.143 -22.160 1.00 21.01 H new ATOM 0 HE1 PHE A 48 -14.274 -0.979 -20.307 1.00 61.34 H new ATOM 0 HE2 PHE A 48 -11.320 2.041 -19.733 1.00 31.32 H new ATOM 0 HZ PHE A 48 -12.977 0.476 -18.801 1.00 72.44 H new ATOM 715 N TYR A 49 -12.190 -2.023 -26.028 1.00 64.31 N ATOM 716 CA TYR A 49 -12.641 -2.614 -27.283 1.00 12.25 C ATOM 717 C TYR A 49 -13.674 -3.708 -27.029 1.00 42.10 C ATOM 718 O TYR A 49 -13.445 -4.619 -26.234 1.00 74.13 O ATOM 719 CB TYR A 49 -11.453 -3.188 -28.057 1.00 55.41 C ATOM 720 CG TYR A 49 -10.435 -3.878 -27.179 1.00 24.21 C ATOM 721 CD1 TYR A 49 -10.604 -5.203 -26.794 1.00 52.43 C ATOM 722 CD2 TYR A 49 -9.303 -3.206 -26.733 1.00 71.51 C ATOM 723 CE1 TYR A 49 -9.676 -5.838 -25.992 1.00 14.35 C ATOM 724 CE2 TYR A 49 -8.369 -3.834 -25.931 1.00 54.04 C ATOM 725 CZ TYR A 49 -8.561 -5.149 -25.563 1.00 64.41 C ATOM 726 OH TYR A 49 -7.633 -5.778 -24.763 1.00 55.54 O ATOM 0 H TYR A 49 -12.360 -2.601 -25.205 1.00 64.31 H new ATOM 0 HA TYR A 49 -13.108 -1.829 -27.878 1.00 12.25 H new ATOM 0 HB2 TYR A 49 -11.822 -3.897 -28.798 1.00 55.41 H new ATOM 0 HB3 TYR A 49 -10.963 -2.382 -28.603 1.00 55.41 H new ATOM 0 HD1 TYR A 49 -11.476 -5.745 -27.128 1.00 52.43 H new ATOM 0 HD2 TYR A 49 -9.151 -2.175 -27.018 1.00 71.51 H new ATOM 0 HE1 TYR A 49 -9.823 -6.868 -25.703 1.00 14.35 H new ATOM 0 HE2 TYR A 49 -7.494 -3.298 -25.594 1.00 54.04 H new ATOM 0 HH TYR A 49 -7.061 -6.352 -25.314 1.00 55.54 H new ATOM 736 N GLU A 50 -14.810 -3.610 -27.712 1.00 13.43 N ATOM 737 CA GLU A 50 -15.879 -4.590 -27.561 1.00 24.53 C ATOM 738 C GLU A 50 -15.732 -5.716 -28.580 1.00 63.24 C ATOM 739 O GLU A 50 -16.558 -5.864 -29.482 1.00 5.24 O ATOM 740 CB GLU A 50 -17.244 -3.919 -27.719 1.00 51.34 C ATOM 741 CG GLU A 50 -17.816 -3.387 -26.416 1.00 41.41 C ATOM 742 CD GLU A 50 -16.800 -2.600 -25.611 1.00 43.24 C ATOM 743 OE1 GLU A 50 -16.124 -1.729 -26.198 1.00 3.25 O ATOM 744 OE2 GLU A 50 -16.681 -2.855 -24.395 1.00 20.53 O ATOM 0 H GLU A 50 -15.014 -2.862 -28.375 1.00 13.43 H new ATOM 0 HA GLU A 50 -15.807 -5.017 -26.561 1.00 24.53 H new ATOM 0 HB2 GLU A 50 -17.155 -3.097 -28.429 1.00 51.34 H new ATOM 0 HB3 GLU A 50 -17.944 -4.636 -28.147 1.00 51.34 H new ATOM 0 HG2 GLU A 50 -18.674 -2.750 -26.633 1.00 41.41 H new ATOM 0 HG3 GLU A 50 -18.182 -4.221 -25.817 1.00 41.41 H new ATOM 751 N TYR A 51 -14.675 -6.507 -28.431 1.00 42.14 N ATOM 752 CA TYR A 51 -14.417 -7.618 -29.340 1.00 50.53 C ATOM 753 C TYR A 51 -13.120 -8.332 -28.974 1.00 3.33 C ATOM 754 O TYR A 51 -12.533 -8.075 -27.922 1.00 43.11 O ATOM 755 CB TYR A 51 -14.346 -7.117 -30.784 1.00 12.31 C ATOM 756 CG TYR A 51 -15.399 -7.720 -31.686 1.00 42.24 C ATOM 757 CD1 TYR A 51 -15.643 -9.088 -31.685 1.00 45.53 C ATOM 758 CD2 TYR A 51 -16.150 -6.921 -32.540 1.00 34.13 C ATOM 759 CE1 TYR A 51 -16.603 -9.643 -32.509 1.00 3.42 C ATOM 760 CE2 TYR A 51 -17.114 -7.467 -33.366 1.00 23.43 C ATOM 761 CZ TYR A 51 -17.336 -8.829 -33.347 1.00 3.41 C ATOM 762 OH TYR A 51 -18.294 -9.378 -34.168 1.00 11.43 O ATOM 0 H TYR A 51 -13.983 -6.400 -27.689 1.00 42.14 H new ATOM 0 HA TYR A 51 -15.239 -8.327 -29.248 1.00 50.53 H new ATOM 0 HB2 TYR A 51 -14.453 -6.032 -30.789 1.00 12.31 H new ATOM 0 HB3 TYR A 51 -13.360 -7.342 -31.190 1.00 12.31 H new ATOM 0 HD1 TYR A 51 -15.072 -9.728 -31.029 1.00 45.53 H new ATOM 0 HD2 TYR A 51 -15.977 -5.855 -32.558 1.00 34.13 H new ATOM 0 HE1 TYR A 51 -16.779 -10.709 -32.497 1.00 3.42 H new ATOM 0 HE2 TYR A 51 -17.690 -6.832 -34.022 1.00 23.43 H new ATOM 0 HH TYR A 51 -18.720 -8.669 -34.693 1.00 11.43 H new ATOM 772 N ILE A 52 -12.678 -9.229 -29.849 1.00 12.31 N ATOM 773 CA ILE A 52 -11.450 -9.979 -29.619 1.00 61.11 C ATOM 774 C ILE A 52 -10.257 -9.044 -29.453 1.00 12.44 C ATOM 775 O ILE A 52 -10.379 -7.831 -29.617 1.00 14.43 O ATOM 776 CB ILE A 52 -11.163 -10.957 -30.774 1.00 35.33 C ATOM 777 CG1 ILE A 52 -11.292 -10.242 -32.120 1.00 63.44 C ATOM 778 CG2 ILE A 52 -12.110 -12.147 -30.707 1.00 44.21 C ATOM 779 CD1 ILE A 52 -10.708 -11.023 -33.277 1.00 73.41 C ATOM 0 H ILE A 52 -13.152 -9.454 -30.724 1.00 12.31 H new ATOM 0 HA ILE A 52 -11.595 -10.546 -28.700 1.00 61.11 H new ATOM 0 HB ILE A 52 -10.141 -11.324 -30.675 1.00 35.33 H new ATOM 0 HG12 ILE A 52 -12.346 -10.047 -32.319 1.00 63.44 H new ATOM 0 HG13 ILE A 52 -10.795 -9.274 -32.057 1.00 63.44 H new ATOM 0 HG21 ILE A 52 -11.895 -12.830 -31.529 1.00 44.21 H new ATOM 0 HG22 ILE A 52 -11.974 -12.667 -29.759 1.00 44.21 H new ATOM 0 HG23 ILE A 52 -13.140 -11.798 -30.785 1.00 44.21 H new ATOM 0 HD11 ILE A 52 -10.835 -10.456 -34.199 1.00 73.41 H new ATOM 0 HD12 ILE A 52 -9.646 -11.196 -33.100 1.00 73.41 H new ATOM 0 HD13 ILE A 52 -11.222 -11.980 -33.366 1.00 73.41 H new ATOM 791 N ASN A 53 -9.103 -9.617 -29.127 1.00 72.11 N ATOM 792 CA ASN A 53 -7.887 -8.835 -28.940 1.00 1.45 C ATOM 793 C ASN A 53 -7.122 -8.695 -30.252 1.00 53.33 C ATOM 794 O ASN A 53 -5.972 -8.256 -30.269 1.00 40.01 O ATOM 795 CB ASN A 53 -6.993 -9.488 -27.883 1.00 54.40 C ATOM 796 CG ASN A 53 -6.178 -8.471 -27.107 1.00 34.12 C ATOM 797 OD1 ASN A 53 -6.375 -7.264 -27.247 1.00 42.10 O ATOM 798 ND2 ASN A 53 -5.257 -8.957 -26.283 1.00 13.43 N ATOM 0 H ASN A 53 -8.985 -10.620 -28.987 1.00 72.11 H new ATOM 0 HA ASN A 53 -8.174 -7.840 -28.600 1.00 1.45 H new ATOM 0 HB2 ASN A 53 -7.611 -10.059 -27.190 1.00 54.40 H new ATOM 0 HB3 ASN A 53 -6.320 -10.196 -28.367 1.00 54.40 H new ATOM 0 HD21 ASN A 53 -4.678 -8.322 -25.734 1.00 13.43 H new ATOM 0 HD22 ASN A 53 -5.129 -9.965 -26.199 1.00 13.43 H new ATOM 805 N TYR A 54 -7.769 -9.070 -31.350 1.00 53.21 N ATOM 806 CA TYR A 54 -7.150 -8.988 -32.668 1.00 32.13 C ATOM 807 C TYR A 54 -8.207 -8.835 -33.758 1.00 22.44 C ATOM 808 O TYR A 54 -8.097 -9.425 -34.832 1.00 3.51 O ATOM 809 CB TYR A 54 -6.303 -10.233 -32.934 1.00 62.23 C ATOM 810 CG TYR A 54 -7.116 -11.500 -33.077 1.00 40.14 C ATOM 811 CD1 TYR A 54 -7.790 -12.042 -31.990 1.00 74.12 C ATOM 812 CD2 TYR A 54 -7.209 -12.155 -34.299 1.00 52.00 C ATOM 813 CE1 TYR A 54 -8.534 -13.200 -32.116 1.00 11.41 C ATOM 814 CE2 TYR A 54 -7.952 -13.312 -34.434 1.00 43.13 C ATOM 815 CZ TYR A 54 -8.612 -13.830 -33.340 1.00 31.41 C ATOM 816 OH TYR A 54 -9.352 -14.984 -33.470 1.00 44.43 O ATOM 0 H TYR A 54 -8.722 -9.434 -31.354 1.00 53.21 H new ATOM 0 HA TYR A 54 -6.507 -8.108 -32.686 1.00 32.13 H new ATOM 0 HB2 TYR A 54 -5.722 -10.079 -33.844 1.00 62.23 H new ATOM 0 HB3 TYR A 54 -5.591 -10.359 -32.118 1.00 62.23 H new ATOM 0 HD1 TYR A 54 -7.732 -11.550 -31.030 1.00 74.12 H new ATOM 0 HD2 TYR A 54 -6.692 -11.753 -35.158 1.00 52.00 H new ATOM 0 HE1 TYR A 54 -9.051 -13.609 -31.261 1.00 11.41 H new ATOM 0 HE2 TYR A 54 -8.015 -13.808 -35.391 1.00 43.13 H new ATOM 0 HH TYR A 54 -9.304 -15.300 -34.396 1.00 44.43 H new ATOM 826 N GLY A 55 -9.232 -8.038 -33.472 1.00 20.25 N ATOM 827 CA GLY A 55 -10.294 -7.821 -34.436 1.00 52.31 C ATOM 828 C GLY A 55 -11.522 -7.187 -33.813 1.00 73.31 C ATOM 829 O GLY A 55 -12.572 -7.820 -33.712 1.00 74.24 O ATOM 0 H GLY A 55 -9.346 -7.539 -32.590 1.00 20.25 H new ATOM 0 HA2 GLY A 55 -9.927 -7.182 -35.239 1.00 52.31 H new ATOM 0 HA3 GLY A 55 -10.570 -8.774 -34.888 1.00 52.31 H new ATOM 833 N GLY A 56 -11.390 -5.933 -33.392 1.00 35.02 N ATOM 834 CA GLY A 56 -12.506 -5.235 -32.779 1.00 24.32 C ATOM 835 C GLY A 56 -12.333 -3.730 -32.806 1.00 1.42 C ATOM 836 O GLY A 56 -11.372 -3.219 -33.381 1.00 41.42 O ATOM 0 H GLY A 56 -10.531 -5.388 -33.464 1.00 35.02 H new ATOM 0 HA2 GLY A 56 -13.427 -5.501 -33.298 1.00 24.32 H new ATOM 0 HA3 GLY A 56 -12.615 -5.567 -31.746 1.00 24.32 H new ATOM 840 N ARG A 57 -13.266 -3.017 -32.184 1.00 34.25 N ATOM 841 CA ARG A 57 -13.214 -1.561 -32.141 1.00 55.12 C ATOM 842 C ARG A 57 -12.224 -1.083 -31.084 1.00 1.34 C ATOM 843 O ARG A 57 -12.515 -1.112 -29.888 1.00 22.35 O ATOM 844 CB ARG A 57 -14.603 -0.988 -31.851 1.00 20.01 C ATOM 845 CG ARG A 57 -14.596 0.502 -31.550 1.00 34.21 C ATOM 846 CD ARG A 57 -15.025 0.783 -30.118 1.00 63.31 C ATOM 847 NE ARG A 57 -16.322 0.187 -29.808 1.00 3.31 N ATOM 848 CZ ARG A 57 -16.892 0.251 -28.610 1.00 10.11 C ATOM 849 NH1 ARG A 57 -16.283 0.881 -27.615 1.00 30.02 N ATOM 850 NH2 ARG A 57 -18.074 -0.316 -28.406 1.00 13.44 N ATOM 0 H ARG A 57 -14.068 -3.424 -31.703 1.00 34.25 H new ATOM 0 HA ARG A 57 -12.878 -1.206 -33.115 1.00 55.12 H new ATOM 0 HB2 ARG A 57 -15.250 -1.174 -32.708 1.00 20.01 H new ATOM 0 HB3 ARG A 57 -15.036 -1.519 -31.004 1.00 20.01 H new ATOM 0 HG2 ARG A 57 -13.596 0.903 -31.717 1.00 34.21 H new ATOM 0 HG3 ARG A 57 -15.265 1.017 -32.239 1.00 34.21 H new ATOM 0 HD2 ARG A 57 -14.274 0.393 -29.431 1.00 63.31 H new ATOM 0 HD3 ARG A 57 -15.074 1.860 -29.959 1.00 63.31 H new ATOM 0 HE ARG A 57 -16.817 -0.305 -30.552 1.00 3.31 H new ATOM 0 HH11 ARG A 57 -15.374 1.318 -27.768 1.00 30.02 H new ATOM 0 HH12 ARG A 57 -16.723 0.929 -26.696 1.00 30.02 H new ATOM 0 HH21 ARG A 57 -18.545 -0.801 -29.169 1.00 13.44 H new ATOM 0 HH22 ARG A 57 -18.511 -0.267 -27.486 1.00 13.44 H new ATOM 864 N TYR A 58 -11.054 -0.643 -31.533 1.00 24.24 N ATOM 865 CA TYR A 58 -10.019 -0.162 -30.625 1.00 41.42 C ATOM 866 C TYR A 58 -10.289 1.281 -30.208 1.00 24.11 C ATOM 867 O TYR A 58 -10.482 2.157 -31.051 1.00 64.21 O ATOM 868 CB TYR A 58 -8.643 -0.264 -31.286 1.00 73.42 C ATOM 869 CG TYR A 58 -7.567 0.519 -30.569 1.00 50.24 C ATOM 870 CD1 TYR A 58 -7.451 0.473 -29.186 1.00 21.23 C ATOM 871 CD2 TYR A 58 -6.665 1.305 -31.276 1.00 54.54 C ATOM 872 CE1 TYR A 58 -6.470 1.188 -28.527 1.00 24.31 C ATOM 873 CE2 TYR A 58 -5.680 2.023 -30.626 1.00 21.40 C ATOM 874 CZ TYR A 58 -5.586 1.961 -29.251 1.00 74.12 C ATOM 875 OH TYR A 58 -4.607 2.673 -28.599 1.00 4.53 O ATOM 0 H TYR A 58 -10.798 -0.609 -32.520 1.00 24.24 H new ATOM 0 HA TYR A 58 -10.034 -0.789 -29.733 1.00 41.42 H new ATOM 0 HB2 TYR A 58 -8.348 -1.312 -31.332 1.00 73.42 H new ATOM 0 HB3 TYR A 58 -8.716 0.092 -32.314 1.00 73.42 H new ATOM 0 HD1 TYR A 58 -8.140 -0.132 -28.616 1.00 21.23 H new ATOM 0 HD2 TYR A 58 -6.735 1.355 -32.353 1.00 54.54 H new ATOM 0 HE1 TYR A 58 -6.395 1.142 -27.451 1.00 24.31 H new ATOM 0 HE2 TYR A 58 -4.988 2.629 -31.191 1.00 21.40 H new ATOM 0 HH TYR A 58 -4.648 2.482 -27.639 1.00 4.53 H new ATOM 885 N TRP A 59 -10.300 1.519 -28.902 1.00 5.35 N ATOM 886 CA TRP A 59 -10.545 2.856 -28.371 1.00 23.43 C ATOM 887 C TRP A 59 -9.923 3.014 -26.988 1.00 12.34 C ATOM 888 O TRP A 59 -10.465 2.529 -25.994 1.00 50.31 O ATOM 889 CB TRP A 59 -12.048 3.132 -28.303 1.00 24.10 C ATOM 890 CG TRP A 59 -12.415 4.170 -27.286 1.00 75.32 C ATOM 891 CD1 TRP A 59 -12.023 5.478 -27.271 1.00 63.40 C ATOM 892 CD2 TRP A 59 -13.248 3.985 -26.136 1.00 3.31 C ATOM 893 NE1 TRP A 59 -12.561 6.117 -26.180 1.00 42.45 N ATOM 894 CE2 TRP A 59 -13.317 5.224 -25.469 1.00 1.12 C ATOM 895 CE3 TRP A 59 -13.943 2.895 -25.606 1.00 2.24 C ATOM 896 CZ2 TRP A 59 -14.052 5.399 -24.300 1.00 12.54 C ATOM 897 CZ3 TRP A 59 -14.672 3.071 -24.445 1.00 21.11 C ATOM 898 CH2 TRP A 59 -14.723 4.315 -23.803 1.00 2.24 C ATOM 0 H TRP A 59 -10.142 0.805 -28.191 1.00 5.35 H new ATOM 0 HA TRP A 59 -10.080 3.578 -29.042 1.00 23.43 H new ATOM 0 HB2 TRP A 59 -12.396 3.456 -29.284 1.00 24.10 H new ATOM 0 HB3 TRP A 59 -12.571 2.204 -28.070 1.00 24.10 H new ATOM 0 HD1 TRP A 59 -11.384 5.942 -28.008 1.00 63.40 H new ATOM 0 HE1 TRP A 59 -12.420 7.098 -25.939 1.00 42.45 H new ATOM 0 HE3 TRP A 59 -13.911 1.932 -26.095 1.00 2.24 H new ATOM 0 HZ2 TRP A 59 -14.091 6.357 -23.803 1.00 12.54 H new ATOM 0 HZ3 TRP A 59 -15.212 2.235 -24.025 1.00 21.11 H new ATOM 0 HH2 TRP A 59 -15.303 4.421 -22.898 1.00 2.24 H new ATOM 909 N ASP A 60 -8.784 3.696 -26.930 1.00 75.11 N ATOM 910 CA ASP A 60 -8.090 3.920 -25.667 1.00 70.54 C ATOM 911 C ASP A 60 -8.330 5.338 -25.159 1.00 33.52 C ATOM 912 O ASP A 60 -8.707 6.227 -25.923 1.00 13.11 O ATOM 913 CB ASP A 60 -6.590 3.672 -25.835 1.00 31.21 C ATOM 914 CG ASP A 60 -5.950 4.637 -26.813 1.00 64.32 C ATOM 915 OD1 ASP A 60 -6.693 5.385 -27.483 1.00 32.55 O ATOM 916 OD2 ASP A 60 -4.705 4.645 -26.909 1.00 23.20 O ATOM 0 H ASP A 60 -8.322 4.103 -27.743 1.00 75.11 H new ATOM 0 HA ASP A 60 -8.487 3.219 -24.933 1.00 70.54 H new ATOM 0 HB2 ASP A 60 -6.099 3.762 -24.866 1.00 31.21 H new ATOM 0 HB3 ASP A 60 -6.430 2.650 -26.180 1.00 31.21 H new ATOM 921 N LEU A 61 -8.111 5.541 -23.865 1.00 0.44 N ATOM 922 CA LEU A 61 -8.305 6.851 -23.253 1.00 5.52 C ATOM 923 C LEU A 61 -7.508 6.971 -21.958 1.00 22.34 C ATOM 924 O LEU A 61 -7.118 5.967 -21.362 1.00 13.32 O ATOM 925 CB LEU A 61 -9.789 7.092 -22.975 1.00 55.35 C ATOM 926 CG LEU A 61 -10.353 6.430 -21.718 1.00 14.43 C ATOM 927 CD1 LEU A 61 -10.857 7.482 -20.741 1.00 61.22 C ATOM 928 CD2 LEU A 61 -11.467 5.459 -22.080 1.00 15.20 C ATOM 0 H LEU A 61 -7.799 4.816 -23.219 1.00 0.44 H new ATOM 0 HA LEU A 61 -7.945 7.607 -23.951 1.00 5.52 H new ATOM 0 HB2 LEU A 61 -9.954 8.167 -22.900 1.00 55.35 H new ATOM 0 HB3 LEU A 61 -10.361 6.741 -23.834 1.00 55.35 H new ATOM 0 HG LEU A 61 -9.552 5.869 -21.236 1.00 14.43 H new ATOM 0 HD11 LEU A 61 -11.255 6.992 -19.852 1.00 61.22 H new ATOM 0 HD12 LEU A 61 -10.034 8.138 -20.456 1.00 61.22 H new ATOM 0 HD13 LEU A 61 -11.643 8.071 -21.214 1.00 61.22 H new ATOM 0 HD21 LEU A 61 -11.856 4.997 -21.173 1.00 15.20 H new ATOM 0 HD22 LEU A 61 -12.269 5.997 -22.586 1.00 15.20 H new ATOM 0 HD23 LEU A 61 -11.075 4.686 -22.741 1.00 15.20 H new ATOM 940 N GLY A 62 -7.271 8.206 -21.526 1.00 64.10 N ATOM 941 CA GLY A 62 -6.523 8.434 -20.303 1.00 35.30 C ATOM 942 C GLY A 62 -7.399 8.365 -19.067 1.00 61.14 C ATOM 943 O GLY A 62 -8.513 7.841 -19.098 1.00 42.21 O ATOM 0 H GLY A 62 -7.584 9.053 -22.001 1.00 64.10 H new ATOM 0 HA2 GLY A 62 -5.728 7.693 -20.223 1.00 35.30 H new ATOM 0 HA3 GLY A 62 -6.043 9.412 -20.351 1.00 35.30 H new ATOM 947 N PRO A 63 -6.892 8.902 -17.948 1.00 12.12 N ATOM 948 CA PRO A 63 -7.619 8.911 -16.675 1.00 21.23 C ATOM 949 C PRO A 63 -8.774 9.906 -16.673 1.00 51.24 C ATOM 950 O PRO A 63 -8.565 11.114 -16.573 1.00 10.41 O ATOM 951 CB PRO A 63 -6.552 9.329 -15.660 1.00 22.41 C ATOM 952 CG PRO A 63 -5.568 10.121 -16.449 1.00 62.14 C ATOM 953 CD PRO A 63 -5.571 9.543 -17.838 1.00 41.04 C ATOM 0 HA PRO A 63 -8.076 7.945 -16.461 1.00 21.23 H new ATOM 0 HB2 PRO A 63 -6.983 9.923 -14.854 1.00 22.41 H new ATOM 0 HB3 PRO A 63 -6.082 8.460 -15.199 1.00 22.41 H new ATOM 0 HG2 PRO A 63 -5.844 11.175 -16.467 1.00 62.14 H new ATOM 0 HG3 PRO A 63 -4.575 10.059 -16.005 1.00 62.14 H new ATOM 0 HD2 PRO A 63 -5.438 10.317 -18.594 1.00 41.04 H new ATOM 0 HD3 PRO A 63 -4.764 8.823 -17.973 1.00 41.04 H new ATOM 961 N GLY A 64 -9.994 9.390 -16.785 1.00 54.13 N ATOM 962 CA GLY A 64 -11.165 10.248 -16.794 1.00 43.25 C ATOM 963 C GLY A 64 -12.454 9.473 -16.607 1.00 63.23 C ATOM 964 O GLY A 64 -12.494 8.262 -16.824 1.00 43.34 O ATOM 0 H GLY A 64 -10.193 8.393 -16.870 1.00 54.13 H new ATOM 0 HA2 GLY A 64 -11.073 10.991 -16.002 1.00 43.25 H new ATOM 0 HA3 GLY A 64 -11.206 10.792 -17.738 1.00 43.25 H new ATOM 968 N GLU A 65 -13.509 10.172 -16.202 1.00 34.42 N ATOM 969 CA GLU A 65 -14.805 9.539 -15.983 1.00 50.21 C ATOM 970 C GLU A 65 -15.809 9.973 -17.048 1.00 23.23 C ATOM 971 O GLU A 65 -15.833 11.134 -17.457 1.00 72.21 O ATOM 972 CB GLU A 65 -15.339 9.887 -14.592 1.00 23.42 C ATOM 973 CG GLU A 65 -16.737 9.356 -14.326 1.00 74.34 C ATOM 974 CD GLU A 65 -17.782 10.455 -14.293 1.00 22.52 C ATOM 975 OE1 GLU A 65 -17.680 11.394 -15.110 1.00 32.14 O ATOM 976 OE2 GLU A 65 -18.700 10.376 -13.450 1.00 60.43 O ATOM 0 H GLU A 65 -13.493 11.175 -16.019 1.00 34.42 H new ATOM 0 HA GLU A 65 -14.670 8.460 -16.053 1.00 50.21 H new ATOM 0 HB2 GLU A 65 -14.659 9.487 -13.840 1.00 23.42 H new ATOM 0 HB3 GLU A 65 -15.343 10.971 -14.474 1.00 23.42 H new ATOM 0 HG2 GLU A 65 -17.000 8.633 -15.098 1.00 74.34 H new ATOM 0 HG3 GLU A 65 -16.745 8.824 -13.375 1.00 74.34 H new ATOM 983 N TYR A 66 -16.634 9.032 -17.492 1.00 33.11 N ATOM 984 CA TYR A 66 -17.638 9.315 -18.511 1.00 31.31 C ATOM 985 C TYR A 66 -18.742 8.261 -18.496 1.00 5.22 C ATOM 986 O TYR A 66 -18.562 7.165 -17.965 1.00 1.55 O ATOM 987 CB TYR A 66 -16.989 9.370 -19.895 1.00 20.32 C ATOM 988 CG TYR A 66 -17.149 8.094 -20.690 1.00 21.52 C ATOM 989 CD1 TYR A 66 -16.382 6.972 -20.402 1.00 64.41 C ATOM 990 CD2 TYR A 66 -18.068 8.010 -21.728 1.00 73.42 C ATOM 991 CE1 TYR A 66 -16.524 5.804 -21.126 1.00 60.04 C ATOM 992 CE2 TYR A 66 -18.219 6.846 -22.457 1.00 25.40 C ATOM 993 CZ TYR A 66 -17.444 5.746 -22.153 1.00 22.24 C ATOM 994 OH TYR A 66 -17.590 4.584 -22.876 1.00 4.05 O ATOM 0 H TYR A 66 -16.628 8.067 -17.163 1.00 33.11 H new ATOM 0 HA TYR A 66 -18.083 10.284 -18.287 1.00 31.31 H new ATOM 0 HB2 TYR A 66 -17.423 10.196 -20.458 1.00 20.32 H new ATOM 0 HB3 TYR A 66 -15.927 9.586 -19.781 1.00 20.32 H new ATOM 0 HD1 TYR A 66 -15.662 7.014 -19.598 1.00 64.41 H new ATOM 0 HD2 TYR A 66 -18.675 8.870 -21.970 1.00 73.42 H new ATOM 0 HE1 TYR A 66 -15.919 4.941 -20.890 1.00 60.04 H new ATOM 0 HE2 TYR A 66 -18.940 6.798 -23.260 1.00 25.40 H new ATOM 0 HH TYR A 66 -16.825 4.475 -23.479 1.00 4.05 H new ATOM 1004 N SER A 67 -19.884 8.602 -19.084 1.00 21.12 N ATOM 1005 CA SER A 67 -21.019 7.688 -19.136 1.00 61.12 C ATOM 1006 C SER A 67 -21.952 8.047 -20.288 1.00 74.54 C ATOM 1007 O SER A 67 -22.968 8.714 -20.094 1.00 52.22 O ATOM 1008 CB SER A 67 -21.787 7.719 -17.814 1.00 13.03 C ATOM 1009 OG SER A 67 -23.108 7.231 -17.979 1.00 45.54 O ATOM 0 H SER A 67 -20.048 9.504 -19.531 1.00 21.12 H new ATOM 0 HA SER A 67 -20.636 6.681 -19.301 1.00 61.12 H new ATOM 0 HB2 SER A 67 -21.264 7.116 -17.072 1.00 13.03 H new ATOM 0 HB3 SER A 67 -21.818 8.739 -17.432 1.00 13.03 H new ATOM 0 HG SER A 67 -23.597 7.813 -18.598 1.00 45.54 H new ATOM 1015 N SER A 68 -21.600 7.598 -21.489 1.00 21.21 N ATOM 1016 CA SER A 68 -22.403 7.874 -22.674 1.00 71.23 C ATOM 1017 C SER A 68 -23.573 6.900 -22.777 1.00 22.31 C ATOM 1018 O SER A 68 -23.682 5.958 -21.992 1.00 33.04 O ATOM 1019 CB SER A 68 -21.539 7.785 -23.934 1.00 10.43 C ATOM 1020 OG SER A 68 -20.653 8.888 -24.023 1.00 55.11 O ATOM 0 H SER A 68 -20.764 7.041 -21.667 1.00 21.21 H new ATOM 0 HA SER A 68 -22.801 8.885 -22.585 1.00 71.23 H new ATOM 0 HB2 SER A 68 -20.969 6.856 -23.923 1.00 10.43 H new ATOM 0 HB3 SER A 68 -22.179 7.756 -24.816 1.00 10.43 H new ATOM 0 HG SER A 68 -19.826 8.683 -23.538 1.00 55.11 H new ATOM 1026 N VAL A 69 -24.446 7.134 -23.752 1.00 21.34 N ATOM 1027 CA VAL A 69 -25.608 6.277 -23.959 1.00 44.42 C ATOM 1028 C VAL A 69 -25.970 6.192 -25.437 1.00 55.44 C ATOM 1029 O VAL A 69 -27.072 5.774 -25.793 1.00 2.23 O ATOM 1030 CB VAL A 69 -26.829 6.787 -23.171 1.00 5.14 C ATOM 1031 CG1 VAL A 69 -26.427 7.175 -21.756 1.00 4.41 C ATOM 1032 CG2 VAL A 69 -27.476 7.960 -23.891 1.00 4.31 C ATOM 0 H VAL A 69 -24.371 7.909 -24.411 1.00 21.34 H new ATOM 0 HA VAL A 69 -25.339 5.285 -23.596 1.00 44.42 H new ATOM 0 HB VAL A 69 -27.561 5.982 -23.107 1.00 5.14 H new ATOM 0 HG11 VAL A 69 -27.302 7.533 -21.214 1.00 4.41 H new ATOM 0 HG12 VAL A 69 -26.014 6.306 -21.244 1.00 4.41 H new ATOM 0 HG13 VAL A 69 -25.676 7.964 -21.795 1.00 4.41 H new ATOM 0 HG21 VAL A 69 -28.337 8.307 -23.320 1.00 4.31 H new ATOM 0 HG22 VAL A 69 -26.754 8.771 -23.988 1.00 4.31 H new ATOM 0 HG23 VAL A 69 -27.802 7.644 -24.882 1.00 4.31 H new ATOM 1042 N GLU A 70 -25.036 6.592 -26.295 1.00 20.44 N ATOM 1043 CA GLU A 70 -25.258 6.561 -27.735 1.00 75.53 C ATOM 1044 C GLU A 70 -24.067 7.153 -28.483 1.00 13.23 C ATOM 1045 O GLU A 70 -23.812 6.810 -29.637 1.00 0.10 O ATOM 1046 CB GLU A 70 -26.533 7.328 -28.094 1.00 4.23 C ATOM 1047 CG GLU A 70 -26.677 8.648 -27.354 1.00 64.31 C ATOM 1048 CD GLU A 70 -27.275 9.739 -28.220 1.00 4.50 C ATOM 1049 OE1 GLU A 70 -28.499 9.701 -28.463 1.00 1.44 O ATOM 1050 OE2 GLU A 70 -26.517 10.633 -28.655 1.00 34.54 O ATOM 0 H GLU A 70 -24.119 6.941 -26.017 1.00 20.44 H new ATOM 0 HA GLU A 70 -25.372 5.520 -28.036 1.00 75.53 H new ATOM 0 HB2 GLU A 70 -26.542 7.520 -29.167 1.00 4.23 H new ATOM 0 HB3 GLU A 70 -27.398 6.702 -27.875 1.00 4.23 H new ATOM 0 HG2 GLU A 70 -27.305 8.501 -26.475 1.00 64.31 H new ATOM 0 HG3 GLU A 70 -25.699 8.968 -26.996 1.00 64.31 H new ATOM 1057 N SER A 71 -23.342 8.045 -27.816 1.00 12.43 N ATOM 1058 CA SER A 71 -22.181 8.690 -28.417 1.00 64.22 C ATOM 1059 C SER A 71 -20.914 7.881 -28.154 1.00 2.41 C ATOM 1060 O SER A 71 -19.802 8.396 -28.267 1.00 25.50 O ATOM 1061 CB SER A 71 -22.017 10.109 -27.869 1.00 21.42 C ATOM 1062 OG SER A 71 -20.858 10.729 -28.397 1.00 42.24 O ATOM 0 H SER A 71 -23.538 8.338 -26.859 1.00 12.43 H new ATOM 0 HA SER A 71 -22.342 8.741 -29.494 1.00 64.22 H new ATOM 0 HB2 SER A 71 -22.896 10.702 -28.119 1.00 21.42 H new ATOM 0 HB3 SER A 71 -21.953 10.077 -26.781 1.00 21.42 H new ATOM 0 HG SER A 71 -20.212 10.042 -28.662 1.00 42.24 H new ATOM 1068 N ALA A 72 -21.092 6.612 -27.802 1.00 1.31 N ATOM 1069 CA ALA A 72 -19.964 5.731 -27.524 1.00 54.12 C ATOM 1070 C ALA A 72 -20.106 4.408 -28.269 1.00 24.24 C ATOM 1071 O ALA A 72 -19.523 3.398 -27.875 1.00 74.12 O ATOM 1072 CB ALA A 72 -19.842 5.487 -26.027 1.00 61.45 C ATOM 0 H ALA A 72 -22.006 6.171 -27.703 1.00 1.31 H new ATOM 0 HA ALA A 72 -19.056 6.220 -27.876 1.00 54.12 H new ATOM 0 HB1 ALA A 72 -18.996 4.828 -25.834 1.00 61.45 H new ATOM 0 HB2 ALA A 72 -19.686 6.437 -25.515 1.00 61.45 H new ATOM 0 HB3 ALA A 72 -20.756 5.022 -25.659 1.00 61.45 H new ATOM 1078 N GLY A 73 -20.884 4.420 -29.347 1.00 2.33 N ATOM 1079 CA GLY A 73 -21.088 3.215 -30.128 1.00 61.33 C ATOM 1080 C GLY A 73 -21.935 2.189 -29.402 1.00 12.23 C ATOM 1081 O GLY A 73 -21.575 1.733 -28.316 1.00 45.32 O ATOM 0 H GLY A 73 -21.377 5.243 -29.693 1.00 2.33 H new ATOM 0 HA2 GLY A 73 -21.567 3.475 -31.072 1.00 61.33 H new ATOM 0 HA3 GLY A 73 -20.121 2.776 -30.372 1.00 61.33 H new ATOM 1085 N ILE A 74 -23.065 1.827 -30.000 1.00 21.31 N ATOM 1086 CA ILE A 74 -23.966 0.849 -29.402 1.00 3.21 C ATOM 1087 C ILE A 74 -24.160 -0.353 -30.320 1.00 11.12 C ATOM 1088 O ILE A 74 -25.258 -0.621 -30.808 1.00 62.25 O ATOM 1089 CB ILE A 74 -25.340 1.469 -29.088 1.00 34.41 C ATOM 1090 CG1 ILE A 74 -25.170 2.765 -28.293 1.00 34.33 C ATOM 1091 CG2 ILE A 74 -26.204 0.479 -28.320 1.00 52.22 C ATOM 1092 CD1 ILE A 74 -24.583 2.556 -26.915 1.00 25.52 C ATOM 0 H ILE A 74 -23.378 2.196 -30.898 1.00 21.31 H new ATOM 0 HA ILE A 74 -23.503 0.521 -28.471 1.00 3.21 H new ATOM 0 HB ILE A 74 -25.839 1.705 -30.028 1.00 34.41 H new ATOM 0 HG12 ILE A 74 -24.527 3.444 -28.854 1.00 34.33 H new ATOM 0 HG13 ILE A 74 -26.140 3.252 -28.196 1.00 34.33 H new ATOM 0 HG21 ILE A 74 -27.172 0.931 -28.105 1.00 52.22 H new ATOM 0 HG22 ILE A 74 -26.348 -0.420 -28.920 1.00 52.22 H new ATOM 0 HG23 ILE A 74 -25.711 0.215 -27.384 1.00 52.22 H new ATOM 0 HD11 ILE A 74 -24.491 3.517 -26.409 1.00 25.52 H new ATOM 0 HD12 ILE A 74 -25.236 1.902 -26.337 1.00 25.52 H new ATOM 0 HD13 ILE A 74 -23.598 2.098 -27.005 1.00 25.52 H new ATOM 1104 N PRO A 75 -23.070 -1.097 -30.560 1.00 1.43 N ATOM 1105 CA PRO A 75 -23.095 -2.284 -31.418 1.00 71.44 C ATOM 1106 C PRO A 75 -23.409 -3.557 -30.639 1.00 13.32 C ATOM 1107 O PRO A 75 -24.417 -4.217 -30.890 1.00 73.24 O ATOM 1108 CB PRO A 75 -21.675 -2.342 -31.986 1.00 23.01 C ATOM 1109 CG PRO A 75 -21.091 -1.005 -31.683 1.00 73.04 C ATOM 1110 CD PRO A 75 -21.729 -0.835 -30.011 1.00 23.45 C ATOM 0 HA PRO A 75 -23.871 -2.219 -32.180 1.00 71.44 H new ATOM 0 HB2 PRO A 75 -21.096 -3.141 -31.523 1.00 23.01 H new ATOM 0 HB3 PRO A 75 -21.685 -2.536 -33.059 1.00 23.01 H new ATOM 0 HG2 PRO A 75 -20.002 -0.996 -31.727 1.00 73.04 H new ATOM 0 HG3 PRO A 75 -21.444 -0.223 -32.356 1.00 73.04 H new ATOM 0 HD2 PRO A 75 -21.365 -1.571 -29.295 1.00 23.45 H new ATOM 0 HD3 PRO A 75 -21.593 0.146 -29.556 1.00 23.45 H new ATOM 1118 N ASP A 76 -22.541 -3.894 -29.692 1.00 21.41 N ATOM 1119 CA ASP A 76 -22.727 -5.087 -28.874 1.00 61.31 C ATOM 1120 C ASP A 76 -21.607 -5.222 -27.847 1.00 60.22 C ATOM 1121 O ASP A 76 -20.427 -5.144 -28.187 1.00 73.22 O ATOM 1122 CB ASP A 76 -22.778 -6.335 -29.758 1.00 13.41 C ATOM 1123 CG ASP A 76 -23.969 -7.219 -29.443 1.00 4.05 C ATOM 1124 OD1 ASP A 76 -25.097 -6.860 -29.840 1.00 0.32 O ATOM 1125 OD2 ASP A 76 -23.772 -8.271 -28.799 1.00 42.22 O ATOM 0 H ASP A 76 -21.702 -3.358 -29.472 1.00 21.41 H new ATOM 0 HA ASP A 76 -23.673 -4.989 -28.342 1.00 61.31 H new ATOM 0 HB2 ASP A 76 -22.819 -6.034 -30.805 1.00 13.41 H new ATOM 0 HB3 ASP A 76 -21.860 -6.907 -29.627 1.00 13.41 H new ATOM 1130 N ASN A 77 -21.986 -5.424 -26.589 1.00 44.12 N ATOM 1131 CA ASN A 77 -21.013 -5.568 -25.512 1.00 40.10 C ATOM 1132 C ASN A 77 -20.585 -7.024 -25.357 1.00 10.05 C ATOM 1133 O ASN A 77 -20.416 -7.516 -24.241 1.00 71.41 O ATOM 1134 CB ASN A 77 -21.599 -5.053 -24.196 1.00 30.54 C ATOM 1135 CG ASN A 77 -20.594 -4.253 -23.389 1.00 74.40 C ATOM 1136 OD1 ASN A 77 -20.830 -3.090 -23.062 1.00 22.23 O ATOM 1137 ND2 ASN A 77 -19.467 -4.875 -23.065 1.00 24.11 N ATOM 0 H ASN A 77 -22.959 -5.492 -26.291 1.00 44.12 H new ATOM 0 HA ASN A 77 -20.134 -4.975 -25.767 1.00 40.10 H new ATOM 0 HB2 ASN A 77 -22.469 -4.431 -24.408 1.00 30.54 H new ATOM 0 HB3 ASN A 77 -21.948 -5.897 -23.602 1.00 30.54 H new ATOM 0 HD21 ASN A 77 -18.753 -4.388 -22.523 1.00 24.11 H new ATOM 0 HD22 ASN A 77 -19.315 -5.840 -23.358 1.00 24.11 H new ATOM 1144 N SER A 78 -20.411 -7.707 -26.483 1.00 62.42 N ATOM 1145 CA SER A 78 -20.006 -9.108 -26.473 1.00 25.24 C ATOM 1146 C SER A 78 -18.509 -9.243 -26.739 1.00 54.22 C ATOM 1147 O SER A 78 -17.928 -8.457 -27.488 1.00 52.20 O ATOM 1148 CB SER A 78 -20.795 -9.897 -27.519 1.00 64.23 C ATOM 1149 OG SER A 78 -20.452 -11.272 -27.487 1.00 3.21 O ATOM 0 H SER A 78 -20.544 -7.313 -27.414 1.00 62.42 H new ATOM 0 HA SER A 78 -20.220 -9.515 -25.485 1.00 25.24 H new ATOM 0 HB2 SER A 78 -21.863 -9.781 -27.337 1.00 64.23 H new ATOM 0 HB3 SER A 78 -20.595 -9.492 -28.511 1.00 64.23 H new ATOM 0 HG SER A 78 -20.971 -11.755 -28.164 1.00 3.21 H new ATOM 1155 N ILE A 79 -17.893 -10.244 -26.121 1.00 25.11 N ATOM 1156 CA ILE A 79 -16.465 -10.483 -26.292 1.00 22.14 C ATOM 1157 C ILE A 79 -15.664 -9.203 -26.081 1.00 11.51 C ATOM 1158 O ILE A 79 -14.638 -8.987 -26.725 1.00 43.12 O ATOM 1159 CB ILE A 79 -16.152 -11.047 -27.690 1.00 44.32 C ATOM 1160 CG1 ILE A 79 -17.216 -12.065 -28.104 1.00 14.31 C ATOM 1161 CG2 ILE A 79 -14.769 -11.681 -27.708 1.00 70.41 C ATOM 1162 CD1 ILE A 79 -17.342 -13.230 -27.148 1.00 22.21 C ATOM 0 H ILE A 79 -18.360 -10.903 -25.497 1.00 25.11 H new ATOM 0 HA ILE A 79 -16.176 -11.217 -25.540 1.00 22.14 H new ATOM 0 HB ILE A 79 -16.164 -10.226 -28.407 1.00 44.32 H new ATOM 0 HG12 ILE A 79 -18.180 -11.561 -28.179 1.00 14.31 H new ATOM 0 HG13 ILE A 79 -16.977 -12.445 -29.097 1.00 14.31 H new ATOM 0 HG21 ILE A 79 -14.562 -12.075 -28.703 1.00 70.41 H new ATOM 0 HG22 ILE A 79 -14.021 -10.930 -27.453 1.00 70.41 H new ATOM 0 HG23 ILE A 79 -14.731 -12.493 -26.981 1.00 70.41 H new ATOM 0 HD11 ILE A 79 -18.115 -13.911 -27.504 1.00 22.21 H new ATOM 0 HD12 ILE A 79 -16.390 -13.758 -27.091 1.00 22.21 H new ATOM 0 HD13 ILE A 79 -17.612 -12.861 -26.158 1.00 22.21 H new ATOM 1174 N SER A 80 -16.140 -8.356 -25.173 1.00 62.20 N ATOM 1175 CA SER A 80 -15.469 -7.095 -24.878 1.00 75.30 C ATOM 1176 C SER A 80 -14.318 -7.308 -23.900 1.00 62.12 C ATOM 1177 O SER A 80 -14.345 -8.228 -23.083 1.00 11.24 O ATOM 1178 CB SER A 80 -16.465 -6.087 -24.300 1.00 24.30 C ATOM 1179 OG SER A 80 -17.774 -6.327 -24.787 1.00 2.43 O ATOM 0 H SER A 80 -16.987 -8.520 -24.629 1.00 62.20 H new ATOM 0 HA SER A 80 -15.063 -6.701 -25.809 1.00 75.30 H new ATOM 0 HB2 SER A 80 -16.461 -6.150 -23.212 1.00 24.30 H new ATOM 0 HB3 SER A 80 -16.156 -5.075 -24.562 1.00 24.30 H new ATOM 0 HG SER A 80 -17.751 -6.404 -25.764 1.00 2.43 H new ATOM 1185 N SER A 81 -13.306 -6.450 -23.991 1.00 74.43 N ATOM 1186 CA SER A 81 -12.142 -6.546 -23.118 1.00 55.40 C ATOM 1187 C SER A 81 -11.388 -5.221 -23.073 1.00 4.43 C ATOM 1188 O SER A 81 -11.342 -4.485 -24.059 1.00 1.23 O ATOM 1189 CB SER A 81 -11.210 -7.661 -23.595 1.00 51.35 C ATOM 1190 OG SER A 81 -11.079 -8.672 -22.611 1.00 44.23 O ATOM 0 H SER A 81 -13.269 -5.681 -24.660 1.00 74.43 H new ATOM 0 HA SER A 81 -12.491 -6.781 -22.112 1.00 55.40 H new ATOM 0 HB2 SER A 81 -11.598 -8.094 -24.517 1.00 51.35 H new ATOM 0 HB3 SER A 81 -10.229 -7.245 -23.827 1.00 51.35 H new ATOM 0 HG SER A 81 -10.480 -9.374 -22.941 1.00 44.23 H new ATOM 1196 N PHE A 82 -10.796 -4.923 -21.920 1.00 52.04 N ATOM 1197 CA PHE A 82 -10.044 -3.686 -21.744 1.00 64.43 C ATOM 1198 C PHE A 82 -8.924 -3.872 -20.724 1.00 13.42 C ATOM 1199 O PHE A 82 -9.154 -4.357 -19.616 1.00 61.42 O ATOM 1200 CB PHE A 82 -10.974 -2.557 -21.298 1.00 34.11 C ATOM 1201 CG PHE A 82 -11.541 -2.756 -19.921 1.00 71.12 C ATOM 1202 CD1 PHE A 82 -12.491 -3.737 -19.684 1.00 0.42 C ATOM 1203 CD2 PHE A 82 -11.124 -1.963 -18.864 1.00 65.35 C ATOM 1204 CE1 PHE A 82 -13.014 -3.921 -18.418 1.00 75.22 C ATOM 1205 CE2 PHE A 82 -11.643 -2.144 -17.596 1.00 52.44 C ATOM 1206 CZ PHE A 82 -12.589 -3.125 -17.373 1.00 12.41 C ATOM 0 H PHE A 82 -10.823 -5.521 -21.094 1.00 52.04 H new ATOM 0 HA PHE A 82 -9.598 -3.421 -22.703 1.00 64.43 H new ATOM 0 HB2 PHE A 82 -10.427 -1.615 -21.324 1.00 34.11 H new ATOM 0 HB3 PHE A 82 -11.794 -2.470 -22.011 1.00 34.11 H new ATOM 0 HD1 PHE A 82 -12.826 -4.364 -20.497 1.00 0.42 H new ATOM 0 HD2 PHE A 82 -10.385 -1.194 -19.033 1.00 65.35 H new ATOM 0 HE1 PHE A 82 -13.755 -4.687 -18.246 1.00 75.22 H new ATOM 0 HE2 PHE A 82 -11.309 -1.519 -16.781 1.00 52.44 H new ATOM 0 HZ PHE A 82 -12.996 -3.269 -16.383 1.00 12.41 H new ATOM 1216 N ARG A 83 -7.713 -3.481 -21.106 1.00 62.30 N ATOM 1217 CA ARG A 83 -6.557 -3.605 -20.226 1.00 31.50 C ATOM 1218 C ARG A 83 -6.037 -2.231 -19.814 1.00 70.33 C ATOM 1219 O ARG A 83 -5.775 -1.378 -20.661 1.00 51.32 O ATOM 1220 CB ARG A 83 -5.446 -4.397 -20.917 1.00 64.24 C ATOM 1221 CG ARG A 83 -5.129 -3.905 -22.320 1.00 52.21 C ATOM 1222 CD ARG A 83 -3.789 -4.433 -22.807 1.00 21.21 C ATOM 1223 NE ARG A 83 -3.688 -4.411 -24.264 1.00 34.33 N ATOM 1224 CZ ARG A 83 -2.634 -4.862 -24.934 1.00 51.14 C ATOM 1225 NH1 ARG A 83 -1.596 -5.367 -24.283 1.00 20.24 N ATOM 1226 NH2 ARG A 83 -2.617 -4.808 -26.260 1.00 70.12 N ATOM 0 H ARG A 83 -7.507 -3.076 -22.019 1.00 62.30 H new ATOM 0 HA ARG A 83 -6.870 -4.139 -19.329 1.00 31.50 H new ATOM 0 HB2 ARG A 83 -4.542 -4.344 -20.310 1.00 64.24 H new ATOM 0 HB3 ARG A 83 -5.736 -5.447 -20.966 1.00 64.24 H new ATOM 0 HG2 ARG A 83 -5.916 -4.222 -23.004 1.00 52.21 H new ATOM 0 HG3 ARG A 83 -5.117 -2.815 -22.330 1.00 52.21 H new ATOM 0 HD2 ARG A 83 -2.986 -3.833 -22.379 1.00 21.21 H new ATOM 0 HD3 ARG A 83 -3.650 -5.453 -22.449 1.00 21.21 H new ATOM 0 HE ARG A 83 -4.470 -4.028 -24.796 1.00 34.33 H new ATOM 0 HH11 ARG A 83 -1.605 -5.410 -23.264 1.00 20.24 H new ATOM 0 HH12 ARG A 83 -0.788 -5.713 -24.801 1.00 20.24 H new ATOM 0 HH21 ARG A 83 -3.414 -4.420 -26.765 1.00 70.12 H new ATOM 0 HH22 ARG A 83 -1.807 -5.155 -26.774 1.00 70.12 H new ATOM 1240 N GLN A 84 -5.891 -2.026 -18.509 1.00 70.13 N ATOM 1241 CA GLN A 84 -5.404 -0.755 -17.986 1.00 63.32 C ATOM 1242 C GLN A 84 -3.891 -0.790 -17.795 1.00 40.51 C ATOM 1243 O GLN A 84 -3.335 -1.792 -17.345 1.00 12.35 O ATOM 1244 CB GLN A 84 -6.090 -0.429 -16.659 1.00 31.34 C ATOM 1245 CG GLN A 84 -7.605 -0.547 -16.712 1.00 23.33 C ATOM 1246 CD GLN A 84 -8.101 -1.905 -16.256 1.00 24.42 C ATOM 1247 OE1 GLN A 84 -7.982 -2.260 -15.083 1.00 35.54 O ATOM 1248 NE2 GLN A 84 -8.660 -2.674 -17.183 1.00 50.42 N ATOM 0 H GLN A 84 -6.103 -2.723 -17.795 1.00 70.13 H new ATOM 0 HA GLN A 84 -5.643 0.023 -18.711 1.00 63.32 H new ATOM 0 HB2 GLN A 84 -5.708 -1.099 -15.888 1.00 31.34 H new ATOM 0 HB3 GLN A 84 -5.823 0.585 -16.361 1.00 31.34 H new ATOM 0 HG2 GLN A 84 -8.048 0.227 -16.085 1.00 23.33 H new ATOM 0 HG3 GLN A 84 -7.944 -0.364 -17.732 1.00 23.33 H new ATOM 0 HE21 GLN A 84 -8.738 -2.340 -18.144 1.00 50.42 H new ATOM 0 HE22 GLN A 84 -9.011 -3.599 -16.935 1.00 50.42 H new ATOM 1257 N ILE A 85 -3.231 0.311 -18.141 1.00 21.42 N ATOM 1258 CA ILE A 85 -1.783 0.406 -18.006 1.00 43.04 C ATOM 1259 C ILE A 85 -1.397 1.340 -16.864 1.00 61.13 C ATOM 1260 O ILE A 85 -1.528 2.554 -17.009 1.00 5.41 O ATOM 1261 CB ILE A 85 -1.128 0.907 -19.308 1.00 33.05 C ATOM 1262 CG1 ILE A 85 -1.702 0.160 -20.513 1.00 54.02 C ATOM 1263 CG2 ILE A 85 0.382 0.735 -19.241 1.00 52.21 C ATOM 1264 CD1 ILE A 85 -1.485 -1.336 -20.457 1.00 12.13 C ATOM 0 H ILE A 85 -3.676 1.149 -18.516 1.00 21.42 H new ATOM 0 HA ILE A 85 -1.420 -0.599 -17.789 1.00 43.04 H new ATOM 0 HB ILE A 85 -1.348 1.968 -19.424 1.00 33.05 H new ATOM 0 HG12 ILE A 85 -2.771 0.361 -20.579 1.00 54.02 H new ATOM 0 HG13 ILE A 85 -1.247 0.551 -21.423 1.00 54.02 H new ATOM 0 HG21 ILE A 85 0.830 1.093 -20.168 1.00 52.21 H new ATOM 0 HG22 ILE A 85 0.777 1.308 -18.402 1.00 52.21 H new ATOM 0 HG23 ILE A 85 0.622 -0.319 -19.106 1.00 52.21 H new ATOM 0 HD11 ILE A 85 -1.918 -1.800 -21.343 1.00 12.13 H new ATOM 0 HD12 ILE A 85 -0.416 -1.548 -20.422 1.00 12.13 H new ATOM 0 HD13 ILE A 85 -1.964 -1.740 -19.565 1.00 12.13 H new