USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=19 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 35 LYS NZ :NH3+ -168:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 37 SER OG : rot 141:sc= 1.18 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.42) USER MOD Single : A 13 ASN : amide:sc=-0.000341 X(o=-0.00034,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 137:sc= -0.566 (180deg=-2.28!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 130:sc= -0.0127 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 67:sc= 0.0049 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 60:sc= -1.02 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -81:sc= 0.655 USER MOD Single : A 66 TYR OH : rot -130:sc= -0.0947 USER MOD Single : A 67 SER OG : rot 54:sc= 0.638 USER MOD Single : A 68 SER OG : rot 160:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.284 K(o=-0.28,f=-3.3!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.405 USER MOD Single : A 81 SER OG : rot 51:sc= 0.0459 USER MOD Single : A 84 GLN : amide:sc= -2.65! C(o=-2.7!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 7.105 -8.112 -6.562 1.00 60.25 N ATOM 53 CA GLU A 5 6.623 -9.333 -7.198 1.00 11.03 C ATOM 54 C GLU A 5 7.577 -10.495 -6.937 1.00 32.21 C ATOM 55 O GLU A 5 8.609 -10.625 -7.595 1.00 23.24 O ATOM 56 CB GLU A 5 6.460 -9.121 -8.704 1.00 43.52 C ATOM 57 CG GLU A 5 5.820 -10.298 -9.419 1.00 61.44 C ATOM 58 CD GLU A 5 5.488 -9.992 -10.867 1.00 1.32 C ATOM 59 OE1 GLU A 5 6.426 -9.715 -11.644 1.00 73.11 O ATOM 60 OE2 GLU A 5 4.292 -10.028 -11.222 1.00 54.31 O ATOM 0 HA GLU A 5 5.652 -9.578 -6.766 1.00 11.03 H new ATOM 0 HB2 GLU A 5 5.854 -8.231 -8.873 1.00 43.52 H new ATOM 0 HB3 GLU A 5 7.439 -8.929 -9.143 1.00 43.52 H new ATOM 0 HG2 GLU A 5 6.494 -11.153 -9.378 1.00 61.44 H new ATOM 0 HG3 GLU A 5 4.909 -10.585 -8.894 1.00 61.44 H new ATOM 67 N VAL A 6 7.223 -11.338 -5.971 1.00 44.15 N ATOM 68 CA VAL A 6 8.047 -12.490 -5.623 1.00 14.20 C ATOM 69 C VAL A 6 7.411 -13.787 -6.109 1.00 75.15 C ATOM 70 O VAL A 6 6.282 -14.113 -5.741 1.00 32.13 O ATOM 71 CB VAL A 6 8.271 -12.580 -4.102 1.00 11.32 C ATOM 72 CG1 VAL A 6 9.059 -13.833 -3.751 1.00 54.12 C ATOM 73 CG2 VAL A 6 8.981 -11.334 -3.594 1.00 21.11 C ATOM 0 H VAL A 6 6.372 -11.245 -5.416 1.00 44.15 H new ATOM 0 HA VAL A 6 9.009 -12.353 -6.117 1.00 14.20 H new ATOM 0 HB VAL A 6 7.299 -12.642 -3.612 1.00 11.32 H new ATOM 0 HG11 VAL A 6 9.207 -13.879 -2.672 1.00 54.12 H new ATOM 0 HG12 VAL A 6 8.507 -14.714 -4.079 1.00 54.12 H new ATOM 0 HG13 VAL A 6 10.028 -13.805 -4.250 1.00 54.12 H new ATOM 0 HG21 VAL A 6 9.131 -11.414 -2.517 1.00 21.11 H new ATOM 0 HG22 VAL A 6 9.947 -11.239 -4.089 1.00 21.11 H new ATOM 0 HG23 VAL A 6 8.374 -10.455 -3.811 1.00 21.11 H new ATOM 83 N ILE A 7 8.142 -14.524 -6.939 1.00 2.52 N ATOM 84 CA ILE A 7 7.650 -15.787 -7.475 1.00 11.44 C ATOM 85 C ILE A 7 8.603 -16.931 -7.148 1.00 45.04 C ATOM 86 O ILE A 7 9.722 -16.986 -7.659 1.00 5.33 O ATOM 87 CB ILE A 7 7.457 -15.714 -9.001 1.00 14.43 C ATOM 88 CG1 ILE A 7 7.084 -17.090 -9.556 1.00 3.10 C ATOM 89 CG2 ILE A 7 8.719 -15.190 -9.670 1.00 74.00 C ATOM 90 CD1 ILE A 7 6.751 -17.076 -11.031 1.00 62.35 C ATOM 0 H ILE A 7 9.077 -14.268 -7.255 1.00 2.52 H new ATOM 0 HA ILE A 7 6.685 -15.975 -7.004 1.00 11.44 H new ATOM 0 HB ILE A 7 6.642 -15.023 -9.217 1.00 14.43 H new ATOM 0 HG12 ILE A 7 7.912 -17.778 -9.385 1.00 3.10 H new ATOM 0 HG13 ILE A 7 6.228 -17.477 -9.002 1.00 3.10 H new ATOM 0 HG21 ILE A 7 8.567 -15.144 -10.748 1.00 74.00 H new ATOM 0 HG22 ILE A 7 8.944 -14.192 -9.292 1.00 74.00 H new ATOM 0 HG23 ILE A 7 9.552 -15.858 -9.449 1.00 74.00 H new ATOM 0 HD11 ILE A 7 6.496 -18.085 -11.356 1.00 62.35 H new ATOM 0 HD12 ILE A 7 5.904 -16.413 -11.206 1.00 62.35 H new ATOM 0 HD13 ILE A 7 7.613 -16.720 -11.595 1.00 62.35 H new ATOM 102 N VAL A 8 8.152 -17.845 -6.296 1.00 21.44 N ATOM 103 CA VAL A 8 8.964 -18.991 -5.903 1.00 74.30 C ATOM 104 C VAL A 8 8.194 -20.296 -6.080 1.00 5.34 C ATOM 105 O VAL A 8 7.016 -20.386 -5.733 1.00 44.31 O ATOM 106 CB VAL A 8 9.427 -18.876 -4.439 1.00 0.53 C ATOM 107 CG1 VAL A 8 10.460 -19.945 -4.119 1.00 62.33 C ATOM 108 CG2 VAL A 8 9.984 -17.487 -4.165 1.00 15.53 C ATOM 0 H VAL A 8 7.228 -17.815 -5.864 1.00 21.44 H new ATOM 0 HA VAL A 8 9.839 -18.997 -6.553 1.00 74.30 H new ATOM 0 HB VAL A 8 8.565 -19.033 -3.791 1.00 0.53 H new ATOM 0 HG11 VAL A 8 10.775 -19.847 -3.080 1.00 62.33 H new ATOM 0 HG12 VAL A 8 10.023 -20.931 -4.274 1.00 62.33 H new ATOM 0 HG13 VAL A 8 11.324 -19.824 -4.773 1.00 62.33 H new ATOM 0 HG21 VAL A 8 10.307 -17.423 -3.126 1.00 15.53 H new ATOM 0 HG22 VAL A 8 10.834 -17.300 -4.821 1.00 15.53 H new ATOM 0 HG23 VAL A 8 9.211 -16.742 -4.352 1.00 15.53 H new ATOM 118 N TYR A 9 8.868 -21.305 -6.620 1.00 43.42 N ATOM 119 CA TYR A 9 8.248 -22.605 -6.845 1.00 11.11 C ATOM 120 C TYR A 9 8.407 -23.503 -5.622 1.00 13.12 C ATOM 121 O TYR A 9 9.453 -23.508 -4.974 1.00 61.14 O ATOM 122 CB TYR A 9 8.862 -23.281 -8.071 1.00 62.45 C ATOM 123 CG TYR A 9 8.248 -22.836 -9.380 1.00 21.45 C ATOM 124 CD1 TYR A 9 8.112 -21.487 -9.682 1.00 61.01 C ATOM 125 CD2 TYR A 9 7.803 -23.765 -10.312 1.00 41.14 C ATOM 126 CE1 TYR A 9 7.551 -21.076 -10.876 1.00 0.44 C ATOM 127 CE2 TYR A 9 7.242 -23.363 -11.509 1.00 2.40 C ATOM 128 CZ TYR A 9 7.118 -22.017 -11.786 1.00 21.11 C ATOM 129 OH TYR A 9 6.559 -21.612 -12.976 1.00 74.42 O ATOM 0 H TYR A 9 9.844 -21.248 -6.910 1.00 43.42 H new ATOM 0 HA TYR A 9 7.184 -22.446 -7.021 1.00 11.11 H new ATOM 0 HB2 TYR A 9 9.932 -23.073 -8.092 1.00 62.45 H new ATOM 0 HB3 TYR A 9 8.749 -24.361 -7.975 1.00 62.45 H new ATOM 0 HD1 TYR A 9 8.450 -20.747 -8.972 1.00 61.01 H new ATOM 0 HD2 TYR A 9 7.897 -24.819 -10.097 1.00 41.14 H new ATOM 0 HE1 TYR A 9 7.452 -20.023 -11.095 1.00 0.44 H new ATOM 0 HE2 TYR A 9 6.903 -24.098 -12.224 1.00 2.40 H new ATOM 0 HH TYR A 9 6.308 -22.399 -13.504 1.00 74.42 H new ATOM 139 N GLU A 10 7.360 -24.262 -5.313 1.00 12.20 N ATOM 140 CA GLU A 10 7.383 -25.164 -4.168 1.00 34.22 C ATOM 141 C GLU A 10 7.733 -26.585 -4.601 1.00 55.24 C ATOM 142 O GLU A 10 7.180 -27.557 -4.085 1.00 63.25 O ATOM 143 CB GLU A 10 6.028 -25.155 -3.456 1.00 70.43 C ATOM 144 CG GLU A 10 6.060 -25.794 -2.078 1.00 3.21 C ATOM 145 CD GLU A 10 4.864 -25.410 -1.229 1.00 51.10 C ATOM 146 OE1 GLU A 10 3.782 -26.002 -1.427 1.00 41.35 O ATOM 147 OE2 GLU A 10 5.009 -24.518 -0.367 1.00 72.30 O ATOM 0 H GLU A 10 6.486 -24.270 -5.839 1.00 12.20 H new ATOM 0 HA GLU A 10 8.151 -24.814 -3.478 1.00 34.22 H new ATOM 0 HB2 GLU A 10 5.684 -24.125 -3.362 1.00 70.43 H new ATOM 0 HB3 GLU A 10 5.299 -25.680 -4.074 1.00 70.43 H new ATOM 0 HG2 GLU A 10 6.092 -26.878 -2.185 1.00 3.21 H new ATOM 0 HG3 GLU A 10 6.975 -25.497 -1.565 1.00 3.21 H new ATOM 154 N HIS A 11 8.653 -26.697 -5.553 1.00 44.24 N ATOM 155 CA HIS A 11 9.078 -27.998 -6.057 1.00 72.23 C ATOM 156 C HIS A 11 10.049 -27.839 -7.223 1.00 61.01 C ATOM 157 O HIS A 11 10.527 -26.739 -7.500 1.00 62.04 O ATOM 158 CB HIS A 11 7.865 -28.819 -6.497 1.00 52.42 C ATOM 159 CG HIS A 11 7.680 -30.082 -5.714 1.00 43.11 C ATOM 160 ND1 HIS A 11 8.729 -30.894 -5.338 1.00 60.54 N ATOM 161 CD2 HIS A 11 6.560 -30.670 -5.234 1.00 72.20 C ATOM 162 CE1 HIS A 11 8.262 -31.929 -4.663 1.00 15.24 C ATOM 163 NE2 HIS A 11 6.948 -31.816 -4.585 1.00 32.32 N ATOM 0 H HIS A 11 9.119 -25.902 -5.991 1.00 44.24 H new ATOM 0 HA HIS A 11 9.590 -28.523 -5.250 1.00 72.23 H new ATOM 0 HB2 HIS A 11 6.968 -28.207 -6.401 1.00 52.42 H new ATOM 0 HB3 HIS A 11 7.969 -29.068 -7.553 1.00 52.42 H new ATOM 0 HD2 HIS A 11 5.549 -30.306 -5.341 1.00 72.20 H new ATOM 0 HE1 HIS A 11 8.853 -32.731 -4.246 1.00 15.24 H new ATOM 0 HE2 HIS A 11 6.323 -32.473 -4.118 1.00 32.32 H new ATOM 171 N VAL A 12 10.337 -28.945 -7.902 1.00 42.23 N ATOM 172 CA VAL A 12 11.251 -28.928 -9.038 1.00 41.02 C ATOM 173 C VAL A 12 10.697 -28.079 -10.177 1.00 31.21 C ATOM 174 O VAL A 12 9.501 -27.797 -10.229 1.00 13.03 O ATOM 175 CB VAL A 12 11.525 -30.351 -9.560 1.00 33.35 C ATOM 176 CG1 VAL A 12 12.736 -30.359 -10.480 1.00 33.42 C ATOM 177 CG2 VAL A 12 11.720 -31.315 -8.399 1.00 2.12 C ATOM 0 H VAL A 12 9.951 -29.864 -7.685 1.00 42.23 H new ATOM 0 HA VAL A 12 12.186 -28.492 -8.685 1.00 41.02 H new ATOM 0 HB VAL A 12 10.660 -30.681 -10.136 1.00 33.35 H new ATOM 0 HG11 VAL A 12 12.914 -31.373 -10.839 1.00 33.42 H new ATOM 0 HG12 VAL A 12 12.552 -29.701 -11.329 1.00 33.42 H new ATOM 0 HG13 VAL A 12 13.611 -30.009 -9.932 1.00 33.42 H new ATOM 0 HG21 VAL A 12 11.913 -32.316 -8.785 1.00 2.12 H new ATOM 0 HG22 VAL A 12 12.567 -30.990 -7.795 1.00 2.12 H new ATOM 0 HG23 VAL A 12 10.820 -31.331 -7.784 1.00 2.12 H new ATOM 187 N ASN A 13 11.576 -27.675 -11.089 1.00 33.45 N ATOM 188 CA ASN A 13 11.174 -26.858 -12.228 1.00 23.12 C ATOM 189 C ASN A 13 10.716 -27.733 -13.391 1.00 24.24 C ATOM 190 O ASN A 13 11.218 -27.611 -14.508 1.00 72.34 O ATOM 191 CB ASN A 13 12.333 -25.963 -12.673 1.00 73.45 C ATOM 192 CG ASN A 13 11.855 -24.697 -13.358 1.00 61.53 C ATOM 193 OD1 ASN A 13 12.028 -24.528 -14.565 1.00 63.24 O ATOM 194 ND2 ASN A 13 11.250 -23.801 -12.588 1.00 42.52 N ATOM 0 H ASN A 13 12.570 -27.900 -11.061 1.00 33.45 H new ATOM 0 HA ASN A 13 10.338 -26.232 -11.918 1.00 23.12 H new ATOM 0 HB2 ASN A 13 12.937 -25.698 -11.806 1.00 73.45 H new ATOM 0 HB3 ASN A 13 12.978 -26.520 -13.353 1.00 73.45 H new ATOM 0 HD21 ASN A 13 10.907 -22.930 -12.992 1.00 42.52 H new ATOM 0 HD22 ASN A 13 11.128 -23.984 -11.592 1.00 42.52 H new ATOM 201 N PHE A 14 9.760 -28.615 -13.119 1.00 63.43 N ATOM 202 CA PHE A 14 9.234 -29.512 -14.142 1.00 43.44 C ATOM 203 C PHE A 14 8.103 -30.370 -13.584 1.00 61.00 C ATOM 204 O PHE A 14 7.874 -31.489 -14.041 1.00 65.03 O ATOM 205 CB PHE A 14 10.348 -30.408 -14.687 1.00 44.43 C ATOM 206 CG PHE A 14 10.568 -31.652 -13.875 1.00 43.20 C ATOM 207 CD1 PHE A 14 10.697 -31.582 -12.497 1.00 53.13 C ATOM 208 CD2 PHE A 14 10.647 -32.891 -14.489 1.00 62.25 C ATOM 209 CE1 PHE A 14 10.899 -32.725 -11.747 1.00 12.13 C ATOM 210 CE2 PHE A 14 10.849 -34.038 -13.744 1.00 53.52 C ATOM 211 CZ PHE A 14 10.976 -33.954 -12.371 1.00 71.24 C ATOM 0 H PHE A 14 9.334 -28.728 -12.199 1.00 63.43 H new ATOM 0 HA PHE A 14 8.837 -28.903 -14.954 1.00 43.44 H new ATOM 0 HB2 PHE A 14 10.107 -30.691 -15.712 1.00 44.43 H new ATOM 0 HB3 PHE A 14 11.277 -29.838 -14.723 1.00 44.43 H new ATOM 0 HD1 PHE A 14 10.639 -30.623 -12.004 1.00 53.13 H new ATOM 0 HD2 PHE A 14 10.550 -32.962 -15.562 1.00 62.25 H new ATOM 0 HE1 PHE A 14 10.997 -32.657 -10.674 1.00 12.13 H new ATOM 0 HE2 PHE A 14 10.907 -34.998 -14.235 1.00 53.52 H new ATOM 0 HZ PHE A 14 11.135 -34.848 -11.787 1.00 71.24 H new ATOM 221 N GLY A 15 7.398 -29.837 -12.591 1.00 0.42 N ATOM 222 CA GLY A 15 6.300 -30.567 -11.985 1.00 52.22 C ATOM 223 C GLY A 15 6.030 -30.130 -10.559 1.00 21.32 C ATOM 224 O GLY A 15 5.894 -30.962 -9.663 1.00 21.32 O ATOM 0 H GLY A 15 7.568 -28.912 -12.195 1.00 0.42 H new ATOM 0 HA2 GLY A 15 5.399 -30.424 -12.582 1.00 52.22 H new ATOM 0 HA3 GLY A 15 6.525 -31.633 -11.998 1.00 52.22 H new ATOM 228 N GLY A 16 5.954 -28.820 -10.347 1.00 10.23 N ATOM 229 CA GLY A 16 5.701 -28.297 -9.017 1.00 21.13 C ATOM 230 C GLY A 16 4.791 -27.085 -9.034 1.00 5.35 C ATOM 231 O GLY A 16 4.469 -26.556 -10.097 1.00 53.44 O ATOM 0 H GLY A 16 6.063 -28.111 -11.072 1.00 10.23 H new ATOM 0 HA2 GLY A 16 5.251 -29.077 -8.403 1.00 21.13 H new ATOM 0 HA3 GLY A 16 6.648 -28.030 -8.549 1.00 21.13 H new ATOM 235 N LYS A 17 4.375 -26.643 -7.852 1.00 32.34 N ATOM 236 CA LYS A 17 3.496 -25.486 -7.733 1.00 41.31 C ATOM 237 C LYS A 17 4.305 -24.196 -7.644 1.00 51.52 C ATOM 238 O LYS A 17 5.494 -24.218 -7.327 1.00 42.14 O ATOM 239 CB LYS A 17 2.600 -25.624 -6.500 1.00 73.15 C ATOM 240 CG LYS A 17 1.248 -24.949 -6.653 1.00 12.34 C ATOM 241 CD LYS A 17 0.871 -24.168 -5.405 1.00 32.24 C ATOM 242 CE LYS A 17 0.726 -25.083 -4.198 1.00 11.32 C ATOM 243 NZ LYS A 17 1.989 -25.171 -3.414 1.00 0.10 N ATOM 0 H LYS A 17 4.633 -27.069 -6.962 1.00 32.34 H new ATOM 0 HA LYS A 17 2.871 -25.443 -8.625 1.00 41.31 H new ATOM 0 HB2 LYS A 17 2.447 -26.682 -6.289 1.00 73.15 H new ATOM 0 HB3 LYS A 17 3.114 -25.198 -5.638 1.00 73.15 H new ATOM 0 HG2 LYS A 17 1.271 -24.277 -7.511 1.00 12.34 H new ATOM 0 HG3 LYS A 17 0.486 -25.701 -6.857 1.00 12.34 H new ATOM 0 HD2 LYS A 17 1.632 -23.414 -5.202 1.00 32.24 H new ATOM 0 HD3 LYS A 17 -0.066 -23.637 -5.575 1.00 32.24 H new ATOM 0 HE2 LYS A 17 -0.075 -24.714 -3.557 1.00 11.32 H new ATOM 0 HE3 LYS A 17 0.435 -26.079 -4.530 1.00 11.32 H new ATOM 0 HZ1 LYS A 17 1.772 -25.118 -2.398 1.00 0.10 H new ATOM 0 HZ2 LYS A 17 2.463 -26.073 -3.620 1.00 0.10 H new ATOM 0 HZ3 LYS A 17 2.615 -24.383 -3.675 1.00 0.10 H new ATOM 257 N SER A 18 3.652 -23.072 -7.924 1.00 74.45 N ATOM 258 CA SER A 18 4.311 -21.773 -7.878 1.00 41.43 C ATOM 259 C SER A 18 3.408 -20.728 -7.230 1.00 0.13 C ATOM 260 O SER A 18 2.184 -20.865 -7.225 1.00 45.03 O ATOM 261 CB SER A 18 4.699 -21.323 -9.288 1.00 72.44 C ATOM 262 OG SER A 18 3.552 -20.987 -10.050 1.00 31.31 O ATOM 0 H SER A 18 2.667 -23.036 -8.185 1.00 74.45 H new ATOM 0 HA SER A 18 5.213 -21.873 -7.275 1.00 41.43 H new ATOM 0 HB2 SER A 18 5.365 -20.462 -9.228 1.00 72.44 H new ATOM 0 HB3 SER A 18 5.251 -22.119 -9.788 1.00 72.44 H new ATOM 0 HG SER A 18 3.827 -20.701 -10.946 1.00 31.31 H new ATOM 268 N PHE A 19 4.021 -19.684 -6.682 1.00 54.51 N ATOM 269 CA PHE A 19 3.273 -18.615 -6.029 1.00 44.12 C ATOM 270 C PHE A 19 3.480 -17.287 -6.752 1.00 13.12 C ATOM 271 O PHE A 19 4.532 -16.659 -6.631 1.00 15.35 O ATOM 272 CB PHE A 19 3.702 -18.484 -4.566 1.00 61.22 C ATOM 273 CG PHE A 19 3.793 -19.800 -3.848 1.00 64.55 C ATOM 274 CD1 PHE A 19 2.781 -20.739 -3.964 1.00 31.30 C ATOM 275 CD2 PHE A 19 4.892 -20.099 -3.059 1.00 30.32 C ATOM 276 CE1 PHE A 19 2.862 -21.951 -3.304 1.00 2.21 C ATOM 277 CE2 PHE A 19 4.979 -21.309 -2.397 1.00 21.53 C ATOM 278 CZ PHE A 19 3.963 -22.237 -2.520 1.00 41.24 C ATOM 0 H PHE A 19 5.033 -19.555 -6.677 1.00 54.51 H new ATOM 0 HA PHE A 19 2.214 -18.869 -6.069 1.00 44.12 H new ATOM 0 HB2 PHE A 19 4.672 -17.988 -4.523 1.00 61.22 H new ATOM 0 HB3 PHE A 19 2.992 -17.842 -4.044 1.00 61.22 H new ATOM 0 HD1 PHE A 19 1.919 -20.522 -4.577 1.00 31.30 H new ATOM 0 HD2 PHE A 19 5.690 -19.378 -2.960 1.00 30.32 H new ATOM 0 HE1 PHE A 19 2.065 -22.674 -3.401 1.00 2.21 H new ATOM 0 HE2 PHE A 19 5.841 -21.529 -1.784 1.00 21.53 H new ATOM 0 HZ PHE A 19 4.029 -23.184 -2.005 1.00 41.24 H new ATOM 288 N ASP A 20 2.469 -16.866 -7.504 1.00 33.41 N ATOM 289 CA ASP A 20 2.538 -15.613 -8.246 1.00 74.24 C ATOM 290 C ASP A 20 1.691 -14.537 -7.575 1.00 55.42 C ATOM 291 O ASP A 20 1.016 -13.756 -8.246 1.00 33.11 O ATOM 292 CB ASP A 20 2.070 -15.823 -9.687 1.00 72.04 C ATOM 293 CG ASP A 20 0.865 -16.739 -9.777 1.00 62.05 C ATOM 294 OD1 ASP A 20 -0.198 -16.376 -9.233 1.00 1.32 O ATOM 295 OD2 ASP A 20 0.986 -17.820 -10.392 1.00 12.20 O ATOM 0 H ASP A 20 1.592 -17.374 -7.616 1.00 33.41 H new ATOM 0 HA ASP A 20 3.576 -15.280 -8.254 1.00 74.24 H new ATOM 0 HB2 ASP A 20 1.823 -14.858 -10.130 1.00 72.04 H new ATOM 0 HB3 ASP A 20 2.887 -16.243 -10.274 1.00 72.04 H new ATOM 473 N LYS A 35 13.992 -29.285 1.746 1.00 52.20 N ATOM 474 CA LYS A 35 14.009 -28.086 0.916 1.00 62.44 C ATOM 475 C LYS A 35 14.539 -28.399 -0.480 1.00 63.21 C ATOM 476 O LYS A 35 15.746 -28.545 -0.677 1.00 71.43 O ATOM 477 CB LYS A 35 14.869 -27.001 1.568 1.00 60.41 C ATOM 478 CG LYS A 35 15.050 -25.767 0.702 1.00 0.53 C ATOM 479 CD LYS A 35 13.746 -25.005 0.538 1.00 13.52 C ATOM 480 CE LYS A 35 13.207 -25.121 -0.879 1.00 73.23 C ATOM 481 NZ LYS A 35 13.700 -24.020 -1.753 1.00 31.53 N ATOM 0 HA LYS A 35 12.985 -27.723 0.825 1.00 62.44 H new ATOM 0 HB2 LYS A 35 14.413 -26.707 2.514 1.00 60.41 H new ATOM 0 HB3 LYS A 35 15.849 -27.417 1.802 1.00 60.41 H new ATOM 0 HG2 LYS A 35 15.800 -25.115 1.149 1.00 0.53 H new ATOM 0 HG3 LYS A 35 15.426 -26.061 -0.278 1.00 0.53 H new ATOM 0 HD2 LYS A 35 13.008 -25.389 1.242 1.00 13.52 H new ATOM 0 HD3 LYS A 35 13.904 -23.955 0.784 1.00 13.52 H new ATOM 0 HE2 LYS A 35 13.503 -26.081 -1.302 1.00 73.23 H new ATOM 0 HE3 LYS A 35 12.117 -25.105 -0.855 1.00 73.23 H new ATOM 0 HZ1 LYS A 35 13.160 -24.014 -2.642 1.00 31.53 H new ATOM 0 HZ2 LYS A 35 13.577 -23.109 -1.267 1.00 31.53 H new ATOM 0 HZ3 LYS A 35 14.708 -24.167 -1.962 1.00 31.53 H new ATOM 495 N ILE A 36 13.631 -28.499 -1.444 1.00 53.04 N ATOM 496 CA ILE A 36 14.008 -28.792 -2.822 1.00 1.44 C ATOM 497 C ILE A 36 13.043 -28.140 -3.806 1.00 45.43 C ATOM 498 O ILE A 36 11.925 -28.615 -4.003 1.00 1.14 O ATOM 499 CB ILE A 36 14.045 -30.309 -3.085 1.00 3.41 C ATOM 500 CG1 ILE A 36 12.774 -30.972 -2.551 1.00 61.25 C ATOM 501 CG2 ILE A 36 15.280 -30.927 -2.446 1.00 41.23 C ATOM 502 CD1 ILE A 36 12.133 -31.928 -3.534 1.00 5.33 C ATOM 0 H ILE A 36 12.629 -28.382 -1.297 1.00 53.04 H new ATOM 0 HA ILE A 36 15.007 -28.382 -2.970 1.00 1.44 H new ATOM 0 HB ILE A 36 14.095 -30.476 -4.161 1.00 3.41 H new ATOM 0 HG12 ILE A 36 13.013 -31.512 -1.635 1.00 61.25 H new ATOM 0 HG13 ILE A 36 12.054 -30.198 -2.287 1.00 61.25 H new ATOM 0 HG21 ILE A 36 15.292 -31.999 -2.640 1.00 41.23 H new ATOM 0 HG22 ILE A 36 16.175 -30.471 -2.869 1.00 41.23 H new ATOM 0 HG23 ILE A 36 15.258 -30.754 -1.370 1.00 41.23 H new ATOM 0 HD11 ILE A 36 11.237 -32.361 -3.089 1.00 5.33 H new ATOM 0 HD12 ILE A 36 11.863 -31.389 -4.442 1.00 5.33 H new ATOM 0 HD13 ILE A 36 12.837 -32.723 -3.780 1.00 5.33 H new ATOM 514 N SER A 37 13.485 -27.049 -4.425 1.00 10.15 N ATOM 515 CA SER A 37 12.660 -26.330 -5.388 1.00 41.33 C ATOM 516 C SER A 37 13.493 -25.315 -6.166 1.00 70.31 C ATOM 517 O SER A 37 14.723 -25.357 -6.143 1.00 30.21 O ATOM 518 CB SER A 37 11.507 -25.621 -4.676 1.00 11.43 C ATOM 519 OG SER A 37 11.979 -24.535 -3.897 1.00 23.24 O ATOM 0 H SER A 37 14.409 -26.644 -4.276 1.00 10.15 H new ATOM 0 HA SER A 37 12.252 -27.055 -6.092 1.00 41.33 H new ATOM 0 HB2 SER A 37 10.788 -25.260 -5.412 1.00 11.43 H new ATOM 0 HB3 SER A 37 10.980 -26.329 -4.037 1.00 11.43 H new ATOM 0 HG SER A 37 11.350 -23.786 -3.965 1.00 23.24 H new ATOM 525 N SER A 38 12.813 -24.404 -6.855 1.00 32.33 N ATOM 526 CA SER A 38 13.488 -23.381 -7.643 1.00 45.34 C ATOM 527 C SER A 38 13.050 -21.985 -7.211 1.00 40.45 C ATOM 528 O SER A 38 11.913 -21.784 -6.784 1.00 52.01 O ATOM 529 CB SER A 38 13.199 -23.581 -9.132 1.00 43.54 C ATOM 530 OG SER A 38 12.800 -24.914 -9.400 1.00 5.30 O ATOM 0 H SER A 38 11.795 -24.354 -6.883 1.00 32.33 H new ATOM 0 HA SER A 38 14.560 -23.475 -7.473 1.00 45.34 H new ATOM 0 HB2 SER A 38 12.415 -22.893 -9.449 1.00 43.54 H new ATOM 0 HB3 SER A 38 14.089 -23.341 -9.714 1.00 43.54 H new ATOM 0 HG SER A 38 11.975 -24.908 -9.930 1.00 5.30 H new ATOM 536 N ILE A 39 13.960 -21.024 -7.326 1.00 44.42 N ATOM 537 CA ILE A 39 13.668 -19.646 -6.949 1.00 23.30 C ATOM 538 C ILE A 39 13.853 -18.701 -8.132 1.00 32.54 C ATOM 539 O ILE A 39 14.801 -18.835 -8.905 1.00 45.40 O ATOM 540 CB ILE A 39 14.565 -19.178 -5.788 1.00 21.44 C ATOM 541 CG1 ILE A 39 13.942 -19.566 -4.445 1.00 52.11 C ATOM 542 CG2 ILE A 39 14.785 -17.675 -5.861 1.00 44.12 C ATOM 543 CD1 ILE A 39 13.645 -21.044 -4.321 1.00 54.10 C ATOM 0 H ILE A 39 14.906 -21.174 -7.677 1.00 44.42 H new ATOM 0 HA ILE A 39 12.627 -19.621 -6.626 1.00 23.30 H new ATOM 0 HB ILE A 39 15.533 -19.672 -5.875 1.00 21.44 H new ATOM 0 HG12 ILE A 39 14.617 -19.271 -3.642 1.00 52.11 H new ATOM 0 HG13 ILE A 39 13.018 -19.005 -4.307 1.00 52.11 H new ATOM 0 HG21 ILE A 39 15.421 -17.360 -5.034 1.00 44.12 H new ATOM 0 HG22 ILE A 39 15.267 -17.423 -6.806 1.00 44.12 H new ATOM 0 HG23 ILE A 39 13.825 -17.163 -5.796 1.00 44.12 H new ATOM 0 HD11 ILE A 39 13.205 -21.246 -3.344 1.00 54.10 H new ATOM 0 HD12 ILE A 39 12.946 -21.341 -5.102 1.00 54.10 H new ATOM 0 HD13 ILE A 39 14.570 -21.611 -4.427 1.00 54.10 H new ATOM 555 N LYS A 40 12.940 -17.745 -8.266 1.00 4.05 N ATOM 556 CA LYS A 40 13.003 -16.774 -9.352 1.00 34.23 C ATOM 557 C LYS A 40 12.574 -15.392 -8.871 1.00 11.41 C ATOM 558 O LYS A 40 11.566 -15.249 -8.179 1.00 11.13 O ATOM 559 CB LYS A 40 12.112 -17.220 -10.514 1.00 23.53 C ATOM 560 CG LYS A 40 12.651 -16.827 -11.878 1.00 72.13 C ATOM 561 CD LYS A 40 11.533 -16.409 -12.819 1.00 44.42 C ATOM 562 CE LYS A 40 12.035 -16.258 -14.247 1.00 75.04 C ATOM 563 NZ LYS A 40 11.165 -15.352 -15.048 1.00 34.41 N ATOM 0 H LYS A 40 12.147 -17.622 -7.636 1.00 4.05 H new ATOM 0 HA LYS A 40 14.036 -16.716 -9.695 1.00 34.23 H new ATOM 0 HB2 LYS A 40 11.996 -18.303 -10.477 1.00 23.53 H new ATOM 0 HB3 LYS A 40 11.119 -16.788 -10.386 1.00 23.53 H new ATOM 0 HG2 LYS A 40 13.361 -16.007 -11.768 1.00 72.13 H new ATOM 0 HG3 LYS A 40 13.197 -17.665 -12.310 1.00 72.13 H new ATOM 0 HD2 LYS A 40 10.734 -17.150 -12.789 1.00 44.42 H new ATOM 0 HD3 LYS A 40 11.105 -15.465 -12.481 1.00 44.42 H new ATOM 0 HE2 LYS A 40 13.053 -15.867 -14.235 1.00 75.04 H new ATOM 0 HE3 LYS A 40 12.075 -17.238 -14.723 1.00 75.04 H new ATOM 0 HZ1 LYS A 40 11.541 -15.275 -16.015 1.00 34.41 H new ATOM 0 HZ2 LYS A 40 10.200 -15.737 -15.081 1.00 34.41 H new ATOM 0 HZ3 LYS A 40 11.147 -14.410 -14.608 1.00 34.41 H new ATOM 577 N VAL A 41 13.345 -14.375 -9.243 1.00 42.04 N ATOM 578 CA VAL A 41 13.044 -13.003 -8.852 1.00 74.22 C ATOM 579 C VAL A 41 13.204 -12.048 -10.030 1.00 21.14 C ATOM 580 O VAL A 41 14.145 -12.165 -10.815 1.00 3.13 O ATOM 581 CB VAL A 41 13.951 -12.536 -7.699 1.00 3.11 C ATOM 582 CG1 VAL A 41 15.411 -12.562 -8.124 1.00 44.23 C ATOM 583 CG2 VAL A 41 13.548 -11.145 -7.234 1.00 15.02 C ATOM 0 H VAL A 41 14.183 -14.476 -9.815 1.00 42.04 H new ATOM 0 HA VAL A 41 12.007 -12.990 -8.516 1.00 74.22 H new ATOM 0 HB VAL A 41 13.828 -13.224 -6.862 1.00 3.11 H new ATOM 0 HG11 VAL A 41 16.037 -12.229 -7.296 1.00 44.23 H new ATOM 0 HG12 VAL A 41 15.690 -13.578 -8.404 1.00 44.23 H new ATOM 0 HG13 VAL A 41 15.554 -11.898 -8.977 1.00 44.23 H new ATOM 0 HG21 VAL A 41 14.200 -10.831 -6.419 1.00 15.02 H new ATOM 0 HG22 VAL A 41 13.640 -10.443 -8.063 1.00 15.02 H new ATOM 0 HG23 VAL A 41 12.515 -11.163 -6.887 1.00 15.02 H new ATOM 593 N LYS A 42 12.279 -11.102 -10.147 1.00 52.20 N ATOM 594 CA LYS A 42 12.317 -10.124 -11.228 1.00 11.55 C ATOM 595 C LYS A 42 12.042 -8.719 -10.700 1.00 4.12 C ATOM 596 O LYS A 42 11.351 -7.929 -11.342 1.00 12.41 O ATOM 597 CB LYS A 42 11.293 -10.484 -12.306 1.00 14.11 C ATOM 598 CG LYS A 42 11.737 -10.121 -13.712 1.00 54.33 C ATOM 599 CD LYS A 42 12.026 -11.360 -14.543 1.00 3.40 C ATOM 600 CE LYS A 42 13.497 -11.741 -14.480 1.00 63.42 C ATOM 601 NZ LYS A 42 14.321 -10.932 -15.420 1.00 40.13 N ATOM 0 H LYS A 42 11.493 -10.992 -9.506 1.00 52.20 H new ATOM 0 HA LYS A 42 13.316 -10.141 -11.664 1.00 11.55 H new ATOM 0 HB2 LYS A 42 11.093 -11.555 -12.262 1.00 14.11 H new ATOM 0 HB3 LYS A 42 10.354 -9.975 -12.088 1.00 14.11 H new ATOM 0 HG2 LYS A 42 10.962 -9.529 -14.198 1.00 54.33 H new ATOM 0 HG3 LYS A 42 12.630 -9.498 -13.663 1.00 54.33 H new ATOM 0 HD2 LYS A 42 11.418 -12.190 -14.184 1.00 3.40 H new ATOM 0 HD3 LYS A 42 11.740 -11.180 -15.579 1.00 3.40 H new ATOM 0 HE2 LYS A 42 13.865 -11.602 -13.463 1.00 63.42 H new ATOM 0 HE3 LYS A 42 13.608 -12.799 -14.718 1.00 63.42 H new ATOM 0 HZ1 LYS A 42 15.317 -11.222 -15.347 1.00 40.13 H new ATOM 0 HZ2 LYS A 42 13.987 -11.084 -16.393 1.00 40.13 H new ATOM 0 HZ3 LYS A 42 14.235 -9.924 -15.178 1.00 40.13 H new ATOM 615 N SER A 43 12.590 -8.415 -9.527 1.00 53.44 N ATOM 616 CA SER A 43 12.402 -7.106 -8.913 1.00 14.23 C ATOM 617 C SER A 43 13.105 -7.034 -7.561 1.00 30.43 C ATOM 618 O SER A 43 12.694 -7.682 -6.599 1.00 74.43 O ATOM 619 CB SER A 43 10.911 -6.809 -8.741 1.00 34.11 C ATOM 620 OG SER A 43 10.527 -5.672 -9.494 1.00 11.42 O ATOM 0 H SER A 43 13.167 -9.057 -8.984 1.00 53.44 H new ATOM 0 HA SER A 43 12.841 -6.357 -9.572 1.00 14.23 H new ATOM 0 HB2 SER A 43 10.326 -7.673 -9.057 1.00 34.11 H new ATOM 0 HB3 SER A 43 10.689 -6.643 -7.687 1.00 34.11 H new ATOM 0 HG SER A 43 10.600 -5.873 -10.450 1.00 11.42 H new ATOM 626 N GLY A 44 14.170 -6.241 -7.496 1.00 12.23 N ATOM 627 CA GLY A 44 14.914 -6.098 -6.258 1.00 65.52 C ATOM 628 C GLY A 44 15.680 -7.355 -5.895 1.00 24.03 C ATOM 629 O GLY A 44 15.983 -8.179 -6.758 1.00 61.22 O ATOM 0 H GLY A 44 14.531 -5.695 -8.278 1.00 12.23 H new ATOM 0 HA2 GLY A 44 15.611 -5.265 -6.350 1.00 65.52 H new ATOM 0 HA3 GLY A 44 14.226 -5.849 -5.450 1.00 65.52 H new ATOM 633 N THR A 45 15.997 -7.503 -4.612 1.00 21.00 N ATOM 634 CA THR A 45 16.735 -8.666 -4.136 1.00 70.32 C ATOM 635 C THR A 45 16.366 -9.000 -2.695 1.00 41.22 C ATOM 636 O THR A 45 16.269 -8.112 -1.848 1.00 53.23 O ATOM 637 CB THR A 45 18.256 -8.442 -4.226 1.00 3.21 C ATOM 638 OG1 THR A 45 18.645 -7.368 -3.362 1.00 31.45 O ATOM 639 CG2 THR A 45 18.673 -8.126 -5.654 1.00 44.13 C ATOM 0 H THR A 45 15.754 -6.831 -3.884 1.00 21.00 H new ATOM 0 HA THR A 45 16.460 -9.500 -4.781 1.00 70.32 H new ATOM 0 HB THR A 45 18.755 -9.359 -3.913 1.00 3.21 H new ATOM 0 HG1 THR A 45 19.614 -7.233 -3.424 1.00 31.45 H new ATOM 0 HG21 THR A 45 19.751 -7.972 -5.692 1.00 44.13 H new ATOM 0 HG22 THR A 45 18.402 -8.957 -6.305 1.00 44.13 H new ATOM 0 HG23 THR A 45 18.165 -7.222 -5.990 1.00 44.13 H new ATOM 647 N TRP A 46 16.163 -10.284 -2.424 1.00 13.21 N ATOM 648 CA TRP A 46 15.805 -10.734 -1.084 1.00 30.25 C ATOM 649 C TRP A 46 17.025 -11.276 -0.348 1.00 23.24 C ATOM 650 O TRP A 46 18.080 -11.487 -0.947 1.00 11.12 O ATOM 651 CB TRP A 46 14.719 -11.809 -1.157 1.00 63.12 C ATOM 652 CG TRP A 46 13.733 -11.583 -2.263 1.00 43.40 C ATOM 653 CD1 TRP A 46 13.119 -10.406 -2.585 1.00 61.13 C ATOM 654 CD2 TRP A 46 13.247 -12.559 -3.191 1.00 12.34 C ATOM 655 NE1 TRP A 46 12.280 -10.592 -3.657 1.00 60.14 N ATOM 656 CE2 TRP A 46 12.341 -11.904 -4.048 1.00 10.42 C ATOM 657 CE3 TRP A 46 13.490 -13.921 -3.382 1.00 34.51 C ATOM 658 CZ2 TRP A 46 11.679 -12.567 -5.077 1.00 53.25 C ATOM 659 CZ3 TRP A 46 12.831 -14.578 -4.404 1.00 62.21 C ATOM 660 CH2 TRP A 46 11.935 -13.901 -5.242 1.00 3.12 C ATOM 0 H TRP A 46 16.240 -11.031 -3.114 1.00 13.21 H new ATOM 0 HA TRP A 46 15.421 -9.877 -0.531 1.00 30.25 H new ATOM 0 HB2 TRP A 46 15.190 -12.783 -1.293 1.00 63.12 H new ATOM 0 HB3 TRP A 46 14.187 -11.843 -0.206 1.00 63.12 H new ATOM 0 HD1 TRP A 46 13.271 -9.468 -2.072 1.00 61.13 H new ATOM 0 HE1 TRP A 46 11.705 -9.870 -4.091 1.00 60.14 H new ATOM 0 HE3 TRP A 46 14.180 -14.451 -2.743 1.00 34.51 H new ATOM 0 HZ2 TRP A 46 10.987 -12.047 -5.723 1.00 53.25 H new ATOM 0 HZ3 TRP A 46 13.010 -15.632 -4.559 1.00 62.21 H new ATOM 0 HH2 TRP A 46 11.437 -14.442 -6.033 1.00 3.12 H new ATOM 671 N ARG A 47 16.875 -11.500 0.954 1.00 60.22 N ATOM 672 CA ARG A 47 17.966 -12.017 1.771 1.00 21.10 C ATOM 673 C ARG A 47 17.632 -13.405 2.310 1.00 75.02 C ATOM 674 O ARG A 47 16.616 -13.594 2.979 1.00 33.31 O ATOM 675 CB ARG A 47 18.258 -11.064 2.932 1.00 73.41 C ATOM 676 CG ARG A 47 18.858 -9.738 2.495 1.00 21.12 C ATOM 677 CD ARG A 47 17.860 -8.600 2.641 1.00 4.15 C ATOM 678 NE ARG A 47 18.503 -7.292 2.542 1.00 23.31 N ATOM 679 CZ ARG A 47 17.953 -6.167 2.984 1.00 75.21 C ATOM 680 NH1 ARG A 47 16.755 -6.190 3.553 1.00 62.12 N ATOM 681 NH2 ARG A 47 18.600 -5.016 2.858 1.00 41.14 N ATOM 0 H ARG A 47 16.009 -11.331 1.465 1.00 60.22 H new ATOM 0 HA ARG A 47 18.852 -12.094 1.141 1.00 21.10 H new ATOM 0 HB2 ARG A 47 17.333 -10.873 3.476 1.00 73.41 H new ATOM 0 HB3 ARG A 47 18.942 -11.551 3.628 1.00 73.41 H new ATOM 0 HG2 ARG A 47 19.745 -9.524 3.092 1.00 21.12 H new ATOM 0 HG3 ARG A 47 19.182 -9.808 1.457 1.00 21.12 H new ATOM 0 HD2 ARG A 47 17.095 -8.687 1.869 1.00 4.15 H new ATOM 0 HD3 ARG A 47 17.354 -8.683 3.603 1.00 4.15 H new ATOM 0 HE ARG A 47 19.425 -7.240 2.110 1.00 23.31 H new ATOM 0 HH11 ARG A 47 16.254 -7.073 3.652 1.00 62.12 H new ATOM 0 HH12 ARG A 47 16.335 -5.325 3.892 1.00 62.12 H new ATOM 0 HH21 ARG A 47 19.521 -4.994 2.421 1.00 41.14 H new ATOM 0 HH22 ARG A 47 18.176 -4.153 3.198 1.00 41.14 H new ATOM 695 N PHE A 48 18.492 -14.373 2.013 1.00 45.33 N ATOM 696 CA PHE A 48 18.288 -15.744 2.466 1.00 52.34 C ATOM 697 C PHE A 48 19.314 -16.124 3.529 1.00 32.01 C ATOM 698 O PHE A 48 20.521 -16.037 3.302 1.00 72.41 O ATOM 699 CB PHE A 48 18.378 -16.712 1.285 1.00 72.25 C ATOM 700 CG PHE A 48 17.040 -17.195 0.802 1.00 31.10 C ATOM 701 CD1 PHE A 48 16.385 -18.228 1.454 1.00 11.50 C ATOM 702 CD2 PHE A 48 16.437 -16.616 -0.303 1.00 71.41 C ATOM 703 CE1 PHE A 48 15.154 -18.674 1.012 1.00 61.25 C ATOM 704 CE2 PHE A 48 15.206 -17.059 -0.750 1.00 10.41 C ATOM 705 CZ PHE A 48 14.563 -18.088 -0.091 1.00 24.30 C ATOM 0 H PHE A 48 19.338 -14.233 1.460 1.00 45.33 H new ATOM 0 HA PHE A 48 17.293 -15.811 2.907 1.00 52.34 H new ATOM 0 HB2 PHE A 48 18.897 -16.221 0.462 1.00 72.25 H new ATOM 0 HB3 PHE A 48 18.982 -17.571 1.575 1.00 72.25 H new ATOM 0 HD1 PHE A 48 16.842 -18.689 2.317 1.00 11.50 H new ATOM 0 HD2 PHE A 48 16.934 -15.809 -0.821 1.00 71.41 H new ATOM 0 HE1 PHE A 48 14.654 -19.480 1.528 1.00 61.25 H new ATOM 0 HE2 PHE A 48 14.748 -16.601 -1.614 1.00 10.41 H new ATOM 0 HZ PHE A 48 13.600 -18.434 -0.437 1.00 24.30 H new ATOM 715 N TYR A 49 18.825 -16.545 4.690 1.00 11.43 N ATOM 716 CA TYR A 49 19.698 -16.935 5.791 1.00 61.54 C ATOM 717 C TYR A 49 19.157 -18.171 6.503 1.00 32.12 C ATOM 718 O TYR A 49 18.002 -18.200 6.928 1.00 43.52 O ATOM 719 CB TYR A 49 19.846 -15.783 6.786 1.00 64.33 C ATOM 720 CG TYR A 49 18.686 -14.814 6.768 1.00 73.53 C ATOM 721 CD1 TYR A 49 17.560 -15.034 7.552 1.00 30.31 C ATOM 722 CD2 TYR A 49 18.714 -13.680 5.966 1.00 60.20 C ATOM 723 CE1 TYR A 49 16.497 -14.152 7.539 1.00 73.34 C ATOM 724 CE2 TYR A 49 17.656 -12.792 5.947 1.00 21.22 C ATOM 725 CZ TYR A 49 16.550 -13.033 6.735 1.00 53.41 C ATOM 726 OH TYR A 49 15.493 -12.151 6.718 1.00 62.10 O ATOM 0 H TYR A 49 17.829 -16.625 4.893 1.00 11.43 H new ATOM 0 HA TYR A 49 20.677 -17.176 5.377 1.00 61.54 H new ATOM 0 HB2 TYR A 49 19.950 -16.193 7.791 1.00 64.33 H new ATOM 0 HB3 TYR A 49 20.765 -15.240 6.566 1.00 64.33 H new ATOM 0 HD1 TYR A 49 17.515 -15.910 8.182 1.00 30.31 H new ATOM 0 HD2 TYR A 49 19.578 -13.489 5.347 1.00 60.20 H new ATOM 0 HE1 TYR A 49 15.630 -14.338 8.155 1.00 73.34 H new ATOM 0 HE2 TYR A 49 17.695 -11.914 5.319 1.00 21.22 H new ATOM 0 HH TYR A 49 15.353 -11.791 7.619 1.00 62.10 H new ATOM 736 N GLU A 50 20.001 -19.190 6.630 1.00 31.33 N ATOM 737 CA GLU A 50 19.608 -20.429 7.291 1.00 34.22 C ATOM 738 C GLU A 50 20.180 -20.497 8.704 1.00 34.32 C ATOM 739 O GLU A 50 21.282 -21.002 8.916 1.00 64.45 O ATOM 740 CB GLU A 50 20.079 -21.638 6.480 1.00 55.13 C ATOM 741 CG GLU A 50 19.585 -22.967 7.025 1.00 34.24 C ATOM 742 CD GLU A 50 20.646 -24.049 6.976 1.00 4.33 C ATOM 743 OE1 GLU A 50 21.218 -24.268 5.888 1.00 64.50 O ATOM 744 OE2 GLU A 50 20.905 -24.675 8.025 1.00 60.00 O ATOM 0 H GLU A 50 20.961 -19.182 6.284 1.00 31.33 H new ATOM 0 HA GLU A 50 18.520 -20.446 7.356 1.00 34.22 H new ATOM 0 HB2 GLU A 50 19.739 -21.529 5.450 1.00 55.13 H new ATOM 0 HB3 GLU A 50 21.169 -21.647 6.457 1.00 55.13 H new ATOM 0 HG2 GLU A 50 19.256 -22.833 8.055 1.00 34.24 H new ATOM 0 HG3 GLU A 50 18.716 -23.290 6.452 1.00 34.24 H new ATOM 751 N TYR A 51 19.422 -19.985 9.668 1.00 43.12 N ATOM 752 CA TYR A 51 19.854 -19.984 11.060 1.00 21.34 C ATOM 753 C TYR A 51 18.898 -19.170 11.927 1.00 71.31 C ATOM 754 O TYR A 51 17.798 -18.822 11.498 1.00 54.04 O ATOM 755 CB TYR A 51 21.271 -19.420 11.177 1.00 61.23 C ATOM 756 CG TYR A 51 22.267 -20.400 11.754 1.00 23.03 C ATOM 757 CD1 TYR A 51 22.007 -21.064 12.947 1.00 64.03 C ATOM 758 CD2 TYR A 51 23.468 -20.662 11.107 1.00 65.52 C ATOM 759 CE1 TYR A 51 22.915 -21.959 13.478 1.00 22.33 C ATOM 760 CE2 TYR A 51 24.382 -21.557 11.630 1.00 35.43 C ATOM 761 CZ TYR A 51 24.101 -22.203 12.816 1.00 15.24 C ATOM 762 OH TYR A 51 25.007 -23.095 13.342 1.00 32.10 O ATOM 0 H TYR A 51 18.506 -19.566 9.510 1.00 43.12 H new ATOM 0 HA TYR A 51 19.850 -21.015 11.415 1.00 21.34 H new ATOM 0 HB2 TYR A 51 21.611 -19.108 10.190 1.00 61.23 H new ATOM 0 HB3 TYR A 51 21.247 -18.528 11.803 1.00 61.23 H new ATOM 0 HD1 TYR A 51 21.079 -20.877 13.468 1.00 64.03 H new ATOM 0 HD2 TYR A 51 23.691 -20.157 10.179 1.00 65.52 H new ATOM 0 HE1 TYR A 51 22.698 -22.465 14.407 1.00 22.33 H new ATOM 0 HE2 TYR A 51 25.311 -21.749 11.113 1.00 35.43 H new ATOM 0 HH TYR A 51 25.788 -23.153 12.753 1.00 32.10 H new ATOM 772 N ILE A 52 19.327 -18.870 13.148 1.00 34.43 N ATOM 773 CA ILE A 52 18.511 -18.096 14.075 1.00 35.01 C ATOM 774 C ILE A 52 18.084 -16.770 13.456 1.00 52.53 C ATOM 775 O ILE A 52 18.641 -16.336 12.448 1.00 0.34 O ATOM 776 CB ILE A 52 19.263 -17.817 15.390 1.00 75.41 C ATOM 777 CG1 ILE A 52 20.052 -19.054 15.823 1.00 21.32 C ATOM 778 CG2 ILE A 52 18.287 -17.397 16.479 1.00 41.40 C ATOM 779 CD1 ILE A 52 19.239 -20.330 15.798 1.00 41.33 C ATOM 0 H ILE A 52 20.235 -19.151 13.518 1.00 34.43 H new ATOM 0 HA ILE A 52 17.626 -18.695 14.292 1.00 35.01 H new ATOM 0 HB ILE A 52 19.966 -17.000 15.224 1.00 75.41 H new ATOM 0 HG12 ILE A 52 20.916 -19.171 15.169 1.00 21.32 H new ATOM 0 HG13 ILE A 52 20.434 -18.896 16.831 1.00 21.32 H new ATOM 0 HG21 ILE A 52 18.833 -17.203 17.402 1.00 41.40 H new ATOM 0 HG22 ILE A 52 17.764 -16.492 16.170 1.00 41.40 H new ATOM 0 HG23 ILE A 52 17.563 -18.195 16.646 1.00 41.40 H new ATOM 0 HD11 ILE A 52 19.863 -21.165 16.117 1.00 41.33 H new ATOM 0 HD12 ILE A 52 18.389 -20.233 16.474 1.00 41.33 H new ATOM 0 HD13 ILE A 52 18.879 -20.512 14.786 1.00 41.33 H new ATOM 791 N ASN A 53 17.092 -16.129 14.067 1.00 64.12 N ATOM 792 CA ASN A 53 16.591 -14.850 13.576 1.00 23.40 C ATOM 793 C ASN A 53 17.498 -13.705 14.017 1.00 64.54 C ATOM 794 O ASN A 53 17.035 -12.716 14.585 1.00 24.31 O ATOM 795 CB ASN A 53 15.167 -14.610 14.080 1.00 73.03 C ATOM 796 CG ASN A 53 14.138 -15.417 13.312 1.00 60.33 C ATOM 797 OD1 ASN A 53 14.032 -15.307 12.090 1.00 23.21 O ATOM 798 ND2 ASN A 53 13.373 -16.234 14.027 1.00 63.33 N ATOM 0 H ASN A 53 16.620 -16.474 14.902 1.00 64.12 H new ATOM 0 HA ASN A 53 16.583 -14.885 12.487 1.00 23.40 H new ATOM 0 HB2 ASN A 53 15.111 -14.867 15.138 1.00 73.03 H new ATOM 0 HB3 ASN A 53 14.929 -13.550 13.997 1.00 73.03 H new ATOM 0 HD21 ASN A 53 12.663 -16.802 13.565 1.00 63.33 H new ATOM 0 HD22 ASN A 53 13.496 -16.293 15.038 1.00 63.33 H new ATOM 805 N TYR A 54 18.792 -13.847 13.750 1.00 51.34 N ATOM 806 CA TYR A 54 19.765 -12.826 14.120 1.00 53.42 C ATOM 807 C TYR A 54 21.171 -13.231 13.688 1.00 13.30 C ATOM 808 O TYR A 54 22.161 -12.816 14.289 1.00 32.34 O ATOM 809 CB TYR A 54 19.732 -12.584 15.630 1.00 65.31 C ATOM 810 CG TYR A 54 20.635 -13.513 16.411 1.00 51.42 C ATOM 811 CD1 TYR A 54 20.388 -14.879 16.454 1.00 32.41 C ATOM 812 CD2 TYR A 54 21.734 -13.023 17.106 1.00 33.41 C ATOM 813 CE1 TYR A 54 21.209 -15.731 17.167 1.00 61.52 C ATOM 814 CE2 TYR A 54 22.561 -13.868 17.820 1.00 22.21 C ATOM 815 CZ TYR A 54 22.295 -15.221 17.848 1.00 73.23 C ATOM 816 OH TYR A 54 23.116 -16.066 18.559 1.00 13.10 O ATOM 0 H TYR A 54 19.191 -14.659 13.279 1.00 51.34 H new ATOM 0 HA TYR A 54 19.499 -11.903 13.605 1.00 53.42 H new ATOM 0 HB2 TYR A 54 20.024 -11.553 15.831 1.00 65.31 H new ATOM 0 HB3 TYR A 54 18.709 -12.701 15.986 1.00 65.31 H new ATOM 0 HD1 TYR A 54 19.540 -15.282 15.921 1.00 32.41 H new ATOM 0 HD2 TYR A 54 21.945 -11.964 17.088 1.00 33.41 H new ATOM 0 HE1 TYR A 54 21.002 -16.791 17.191 1.00 61.52 H new ATOM 0 HE2 TYR A 54 23.412 -13.471 18.354 1.00 22.21 H new ATOM 0 HH TYR A 54 23.834 -15.548 18.979 1.00 13.10 H new ATOM 826 N GLY A 55 21.250 -14.044 12.639 1.00 35.33 N ATOM 827 CA GLY A 55 22.538 -14.492 12.143 1.00 34.42 C ATOM 828 C GLY A 55 22.408 -15.569 11.084 1.00 23.21 C ATOM 829 O GLY A 55 21.330 -15.779 10.531 1.00 72.04 O ATOM 0 H GLY A 55 20.445 -14.400 12.124 1.00 35.33 H new ATOM 0 HA2 GLY A 55 23.080 -13.642 11.728 1.00 34.42 H new ATOM 0 HA3 GLY A 55 23.131 -14.873 12.974 1.00 34.42 H new ATOM 833 N GLY A 56 23.512 -16.253 10.800 1.00 65.42 N ATOM 834 CA GLY A 56 23.497 -17.305 9.799 1.00 12.54 C ATOM 835 C GLY A 56 24.212 -16.903 8.525 1.00 44.20 C ATOM 836 O GLY A 56 24.888 -15.875 8.482 1.00 2.44 O ATOM 0 H GLY A 56 24.417 -16.098 11.245 1.00 65.42 H new ATOM 0 HA2 GLY A 56 23.967 -18.199 10.209 1.00 12.54 H new ATOM 0 HA3 GLY A 56 22.465 -17.566 9.566 1.00 12.54 H new ATOM 840 N ARG A 57 24.066 -17.716 7.484 1.00 33.12 N ATOM 841 CA ARG A 57 24.706 -17.441 6.204 1.00 71.25 C ATOM 842 C ARG A 57 23.899 -16.427 5.399 1.00 53.22 C ATOM 843 O ARG A 57 22.851 -16.754 4.841 1.00 60.01 O ATOM 844 CB ARG A 57 24.866 -18.734 5.401 1.00 15.12 C ATOM 845 CG ARG A 57 23.572 -19.517 5.245 1.00 64.23 C ATOM 846 CD ARG A 57 23.108 -19.542 3.797 1.00 14.30 C ATOM 847 NE ARG A 57 23.616 -20.707 3.078 1.00 2.14 N ATOM 848 CZ ARG A 57 23.599 -20.819 1.755 1.00 71.40 C ATOM 849 NH1 ARG A 57 23.101 -19.842 1.010 1.00 64.23 N ATOM 850 NH2 ARG A 57 24.080 -21.911 1.174 1.00 24.13 N ATOM 0 H ARG A 57 23.510 -18.571 7.502 1.00 33.12 H new ATOM 0 HA ARG A 57 25.692 -17.020 6.403 1.00 71.25 H new ATOM 0 HB2 ARG A 57 25.256 -18.492 4.412 1.00 15.12 H new ATOM 0 HB3 ARG A 57 25.607 -19.366 5.890 1.00 15.12 H new ATOM 0 HG2 ARG A 57 23.718 -20.537 5.599 1.00 64.23 H new ATOM 0 HG3 ARG A 57 22.798 -19.071 5.869 1.00 64.23 H new ATOM 0 HD2 ARG A 57 22.018 -19.544 3.766 1.00 14.30 H new ATOM 0 HD3 ARG A 57 23.440 -18.633 3.295 1.00 14.30 H new ATOM 0 HE ARG A 57 24.005 -21.477 3.622 1.00 2.14 H new ATOM 0 HH11 ARG A 57 22.730 -19.002 1.453 1.00 64.23 H new ATOM 0 HH12 ARG A 57 23.089 -19.931 -0.006 1.00 64.23 H new ATOM 0 HH21 ARG A 57 24.463 -22.665 1.744 1.00 24.13 H new ATOM 0 HH22 ARG A 57 24.066 -21.996 0.158 1.00 24.13 H new ATOM 864 N TYR A 58 24.393 -15.195 5.344 1.00 61.11 N ATOM 865 CA TYR A 58 23.717 -14.132 4.610 1.00 34.02 C ATOM 866 C TYR A 58 23.966 -14.261 3.111 1.00 42.14 C ATOM 867 O TYR A 58 25.071 -14.007 2.630 1.00 33.00 O ATOM 868 CB TYR A 58 24.191 -12.763 5.102 1.00 75.24 C ATOM 869 CG TYR A 58 23.868 -11.633 4.150 1.00 34.33 C ATOM 870 CD1 TYR A 58 22.614 -11.532 3.561 1.00 54.31 C ATOM 871 CD2 TYR A 58 24.817 -10.666 3.842 1.00 73.44 C ATOM 872 CE1 TYR A 58 22.315 -10.501 2.691 1.00 73.44 C ATOM 873 CE2 TYR A 58 24.526 -9.632 2.974 1.00 41.35 C ATOM 874 CZ TYR A 58 23.274 -9.554 2.400 1.00 0.12 C ATOM 875 OH TYR A 58 22.980 -8.525 1.535 1.00 73.21 O ATOM 0 H TYR A 58 25.259 -14.908 5.799 1.00 61.11 H new ATOM 0 HA TYR A 58 22.646 -14.225 4.791 1.00 34.02 H new ATOM 0 HB2 TYR A 58 23.733 -12.555 6.069 1.00 75.24 H new ATOM 0 HB3 TYR A 58 25.269 -12.796 5.261 1.00 75.24 H new ATOM 0 HD1 TYR A 58 21.860 -12.272 3.787 1.00 54.31 H new ATOM 0 HD2 TYR A 58 25.799 -10.724 4.289 1.00 73.44 H new ATOM 0 HE1 TYR A 58 21.335 -10.437 2.241 1.00 73.44 H new ATOM 0 HE2 TYR A 58 25.275 -8.888 2.746 1.00 41.35 H new ATOM 0 HH TYR A 58 23.063 -8.841 0.611 1.00 73.21 H new ATOM 885 N TRP A 59 22.932 -14.656 2.378 1.00 72.44 N ATOM 886 CA TRP A 59 23.037 -14.819 0.932 1.00 4.20 C ATOM 887 C TRP A 59 21.799 -14.271 0.231 1.00 61.31 C ATOM 888 O TRP A 59 20.731 -14.881 0.272 1.00 35.31 O ATOM 889 CB TRP A 59 23.230 -16.294 0.577 1.00 55.05 C ATOM 890 CG TRP A 59 22.747 -16.641 -0.799 1.00 71.23 C ATOM 891 CD1 TRP A 59 23.293 -16.240 -1.985 1.00 22.00 C ATOM 892 CD2 TRP A 59 21.619 -17.459 -1.131 1.00 2.40 C ATOM 893 NE1 TRP A 59 22.573 -16.759 -3.034 1.00 11.12 N ATOM 894 CE2 TRP A 59 21.541 -17.511 -2.537 1.00 5.35 C ATOM 895 CE3 TRP A 59 20.669 -18.153 -0.378 1.00 30.22 C ATOM 896 CZ2 TRP A 59 20.551 -18.229 -3.201 1.00 14.32 C ATOM 897 CZ3 TRP A 59 19.686 -18.865 -1.039 1.00 20.14 C ATOM 898 CH2 TRP A 59 19.633 -18.899 -2.438 1.00 62.24 C ATOM 0 H TRP A 59 22.011 -14.870 2.761 1.00 72.44 H new ATOM 0 HA TRP A 59 23.904 -14.254 0.590 1.00 4.20 H new ATOM 0 HB2 TRP A 59 24.288 -16.544 0.657 1.00 55.05 H new ATOM 0 HB3 TRP A 59 22.701 -16.908 1.306 1.00 55.05 H new ATOM 0 HD1 TRP A 59 24.163 -15.608 -2.084 1.00 22.00 H new ATOM 0 HE1 TRP A 59 22.774 -16.609 -4.023 1.00 11.12 H new ATOM 0 HE3 TRP A 59 20.702 -18.134 0.701 1.00 30.22 H new ATOM 0 HZ2 TRP A 59 20.508 -18.257 -4.280 1.00 14.32 H new ATOM 0 HZ3 TRP A 59 18.946 -19.405 -0.467 1.00 20.14 H new ATOM 0 HH2 TRP A 59 18.852 -19.465 -2.925 1.00 62.24 H new ATOM 909 N ASP A 60 21.950 -13.119 -0.412 1.00 13.41 N ATOM 910 CA ASP A 60 20.843 -12.490 -1.124 1.00 10.35 C ATOM 911 C ASP A 60 20.840 -12.898 -2.593 1.00 71.14 C ATOM 912 O ASP A 60 21.891 -12.965 -3.232 1.00 71.14 O ATOM 913 CB ASP A 60 20.931 -10.967 -1.005 1.00 24.45 C ATOM 914 CG ASP A 60 22.328 -10.445 -1.278 1.00 63.50 C ATOM 915 OD1 ASP A 60 23.181 -10.528 -0.369 1.00 75.23 O ATOM 916 OD2 ASP A 60 22.569 -9.953 -2.401 1.00 30.45 O ATOM 0 H ASP A 60 22.828 -12.601 -0.455 1.00 13.41 H new ATOM 0 HA ASP A 60 19.912 -12.829 -0.669 1.00 10.35 H new ATOM 0 HB2 ASP A 60 20.232 -10.510 -1.705 1.00 24.45 H new ATOM 0 HB3 ASP A 60 20.623 -10.665 -0.004 1.00 24.45 H new ATOM 921 N LEU A 61 19.653 -13.171 -3.124 1.00 31.14 N ATOM 922 CA LEU A 61 19.513 -13.574 -4.519 1.00 34.34 C ATOM 923 C LEU A 61 19.000 -12.418 -5.371 1.00 3.32 C ATOM 924 O LEU A 61 18.163 -11.631 -4.930 1.00 22.42 O ATOM 925 CB LEU A 61 18.561 -14.767 -4.632 1.00 43.11 C ATOM 926 CG LEU A 61 17.074 -14.458 -4.456 1.00 61.22 C ATOM 927 CD1 LEU A 61 16.350 -14.541 -5.791 1.00 43.41 C ATOM 928 CD2 LEU A 61 16.447 -15.410 -3.448 1.00 24.21 C ATOM 0 H LEU A 61 18.774 -13.121 -2.610 1.00 31.14 H new ATOM 0 HA LEU A 61 20.497 -13.865 -4.888 1.00 34.34 H new ATOM 0 HB2 LEU A 61 18.703 -15.228 -5.610 1.00 43.11 H new ATOM 0 HB3 LEU A 61 18.849 -15.508 -3.886 1.00 43.11 H new ATOM 0 HG LEU A 61 16.977 -13.441 -4.075 1.00 61.22 H new ATOM 0 HD11 LEU A 61 15.293 -14.318 -5.646 1.00 43.41 H new ATOM 0 HD12 LEU A 61 16.781 -13.819 -6.484 1.00 43.41 H new ATOM 0 HD13 LEU A 61 16.456 -15.546 -6.201 1.00 43.41 H new ATOM 0 HD21 LEU A 61 15.389 -15.175 -3.335 1.00 24.21 H new ATOM 0 HD22 LEU A 61 16.556 -16.436 -3.800 1.00 24.21 H new ATOM 0 HD23 LEU A 61 16.947 -15.302 -2.485 1.00 24.21 H new ATOM 940 N GLY A 62 19.508 -12.322 -6.596 1.00 50.31 N ATOM 941 CA GLY A 62 19.089 -11.260 -7.492 1.00 15.43 C ATOM 942 C GLY A 62 18.526 -11.789 -8.796 1.00 22.31 C ATOM 943 O GLY A 62 18.163 -12.960 -8.910 1.00 35.01 O ATOM 0 H GLY A 62 20.202 -12.961 -6.984 1.00 50.31 H new ATOM 0 HA2 GLY A 62 18.336 -10.647 -6.997 1.00 15.43 H new ATOM 0 HA3 GLY A 62 19.939 -10.611 -7.704 1.00 15.43 H new ATOM 947 N PRO A 63 18.447 -10.914 -9.809 1.00 62.44 N ATOM 948 CA PRO A 63 17.925 -11.278 -11.130 1.00 13.30 C ATOM 949 C PRO A 63 18.488 -12.603 -11.632 1.00 32.14 C ATOM 950 O PRO A 63 19.620 -12.667 -12.108 1.00 41.14 O ATOM 951 CB PRO A 63 18.390 -10.126 -12.025 1.00 31.23 C ATOM 952 CG PRO A 63 18.533 -8.965 -11.103 1.00 43.51 C ATOM 953 CD PRO A 63 18.862 -9.503 -9.745 1.00 25.15 C ATOM 0 HA PRO A 63 16.844 -11.416 -11.116 1.00 13.30 H new ATOM 0 HB2 PRO A 63 19.335 -10.362 -12.515 1.00 31.23 H new ATOM 0 HB3 PRO A 63 17.666 -9.919 -12.813 1.00 31.23 H new ATOM 0 HG2 PRO A 63 19.319 -8.295 -11.450 1.00 43.51 H new ATOM 0 HG3 PRO A 63 17.611 -8.385 -11.072 1.00 43.51 H new ATOM 0 HD2 PRO A 63 19.926 -9.410 -9.526 1.00 25.15 H new ATOM 0 HD3 PRO A 63 18.327 -8.965 -8.962 1.00 25.15 H new ATOM 961 N GLY A 64 17.689 -13.660 -11.521 1.00 72.21 N ATOM 962 CA GLY A 64 18.125 -14.970 -11.968 1.00 45.02 C ATOM 963 C GLY A 64 17.267 -16.089 -11.411 1.00 42.55 C ATOM 964 O GLY A 64 16.419 -15.858 -10.550 1.00 70.14 O ATOM 0 H GLY A 64 16.748 -13.632 -11.129 1.00 72.21 H new ATOM 0 HA2 GLY A 64 18.100 -15.005 -13.057 1.00 45.02 H new ATOM 0 HA3 GLY A 64 19.161 -15.127 -11.667 1.00 45.02 H new ATOM 968 N GLU A 65 17.487 -17.303 -11.906 1.00 12.04 N ATOM 969 CA GLU A 65 16.724 -18.461 -11.453 1.00 2.50 C ATOM 970 C GLU A 65 17.647 -19.643 -11.169 1.00 14.51 C ATOM 971 O GLU A 65 18.642 -19.848 -11.864 1.00 30.22 O ATOM 972 CB GLU A 65 15.681 -18.854 -12.501 1.00 44.24 C ATOM 973 CG GLU A 65 14.741 -19.955 -12.041 1.00 53.41 C ATOM 974 CD GLU A 65 14.750 -21.155 -12.967 1.00 61.23 C ATOM 975 OE1 GLU A 65 14.907 -20.959 -14.191 1.00 12.53 O ATOM 976 OE2 GLU A 65 14.601 -22.291 -12.470 1.00 14.54 O ATOM 0 H GLU A 65 18.186 -17.510 -12.619 1.00 12.04 H new ATOM 0 HA GLU A 65 16.215 -18.190 -10.528 1.00 2.50 H new ATOM 0 HB2 GLU A 65 15.095 -17.974 -12.765 1.00 44.24 H new ATOM 0 HB3 GLU A 65 16.193 -19.180 -13.406 1.00 44.24 H new ATOM 0 HG2 GLU A 65 15.024 -20.273 -11.038 1.00 53.41 H new ATOM 0 HG3 GLU A 65 13.728 -19.559 -11.976 1.00 53.41 H new ATOM 983 N TYR A 66 17.309 -20.416 -10.143 1.00 14.41 N ATOM 984 CA TYR A 66 18.107 -21.575 -9.764 1.00 61.21 C ATOM 985 C TYR A 66 17.241 -22.638 -9.094 1.00 42.41 C ATOM 986 O TYR A 66 16.353 -22.322 -8.302 1.00 5.11 O ATOM 987 CB TYR A 66 19.239 -21.156 -8.824 1.00 72.41 C ATOM 988 CG TYR A 66 18.874 -21.246 -7.360 1.00 30.55 C ATOM 989 CD1 TYR A 66 19.091 -22.415 -6.640 1.00 62.31 C ATOM 990 CD2 TYR A 66 18.311 -20.164 -6.695 1.00 43.44 C ATOM 991 CE1 TYR A 66 18.759 -22.503 -5.302 1.00 11.40 C ATOM 992 CE2 TYR A 66 17.977 -20.241 -5.357 1.00 63.43 C ATOM 993 CZ TYR A 66 18.203 -21.413 -4.665 1.00 52.10 C ATOM 994 OH TYR A 66 17.870 -21.495 -3.332 1.00 41.23 O ATOM 0 H TYR A 66 16.487 -20.261 -9.559 1.00 14.41 H new ATOM 0 HA TYR A 66 18.536 -22.001 -10.671 1.00 61.21 H new ATOM 0 HB2 TYR A 66 20.108 -21.786 -9.013 1.00 72.41 H new ATOM 0 HB3 TYR A 66 19.531 -20.132 -9.055 1.00 72.41 H new ATOM 0 HD1 TYR A 66 19.527 -23.270 -7.136 1.00 62.31 H new ATOM 0 HD2 TYR A 66 18.131 -19.246 -7.234 1.00 43.44 H new ATOM 0 HE1 TYR A 66 18.934 -23.419 -4.758 1.00 11.40 H new ATOM 0 HE2 TYR A 66 17.542 -19.389 -4.856 1.00 63.43 H new ATOM 0 HH TYR A 66 16.951 -21.180 -3.204 1.00 41.23 H new ATOM 1004 N SER A 67 17.507 -23.899 -9.418 1.00 21.00 N ATOM 1005 CA SER A 67 16.751 -25.010 -8.851 1.00 1.52 C ATOM 1006 C SER A 67 17.682 -26.009 -8.171 1.00 73.30 C ATOM 1007 O SER A 67 17.909 -27.107 -8.679 1.00 64.03 O ATOM 1008 CB SER A 67 15.939 -25.711 -9.941 1.00 62.13 C ATOM 1009 OG SER A 67 16.784 -26.220 -10.958 1.00 65.34 O ATOM 0 H SER A 67 18.240 -24.177 -10.070 1.00 21.00 H new ATOM 0 HA SER A 67 16.068 -24.609 -8.102 1.00 1.52 H new ATOM 0 HB2 SER A 67 15.362 -26.525 -9.502 1.00 62.13 H new ATOM 0 HB3 SER A 67 15.225 -25.011 -10.374 1.00 62.13 H new ATOM 0 HG SER A 67 17.477 -26.784 -10.556 1.00 65.34 H new ATOM 1015 N SER A 68 18.217 -25.621 -7.018 1.00 41.52 N ATOM 1016 CA SER A 68 19.126 -26.480 -6.269 1.00 64.03 C ATOM 1017 C SER A 68 18.352 -27.428 -5.358 1.00 53.54 C ATOM 1018 O SER A 68 17.145 -27.275 -5.167 1.00 22.22 O ATOM 1019 CB SER A 68 20.094 -25.634 -5.440 1.00 22.24 C ATOM 1020 OG SER A 68 21.304 -26.332 -5.200 1.00 4.50 O ATOM 0 H SER A 68 18.036 -24.717 -6.582 1.00 41.52 H new ATOM 0 HA SER A 68 19.695 -27.075 -6.983 1.00 64.03 H new ATOM 0 HB2 SER A 68 20.306 -24.701 -5.963 1.00 22.24 H new ATOM 0 HB3 SER A 68 19.629 -25.369 -4.491 1.00 22.24 H new ATOM 0 HG SER A 68 22.009 -25.693 -4.964 1.00 4.50 H new ATOM 1026 N VAL A 69 19.055 -28.407 -4.799 1.00 32.04 N ATOM 1027 CA VAL A 69 18.435 -29.380 -3.907 1.00 0.33 C ATOM 1028 C VAL A 69 19.445 -29.929 -2.905 1.00 40.33 C ATOM 1029 O VAL A 69 19.271 -31.024 -2.371 1.00 43.43 O ATOM 1030 CB VAL A 69 17.820 -30.552 -4.694 1.00 44.25 C ATOM 1031 CG1 VAL A 69 16.573 -30.100 -5.439 1.00 2.34 C ATOM 1032 CG2 VAL A 69 18.841 -31.140 -5.657 1.00 24.04 C ATOM 0 H VAL A 69 20.054 -28.548 -4.948 1.00 32.04 H new ATOM 0 HA VAL A 69 17.643 -28.857 -3.371 1.00 0.33 H new ATOM 0 HB VAL A 69 17.530 -31.329 -3.987 1.00 44.25 H new ATOM 0 HG11 VAL A 69 16.153 -30.942 -5.989 1.00 2.34 H new ATOM 0 HG12 VAL A 69 15.837 -29.729 -4.725 1.00 2.34 H new ATOM 0 HG13 VAL A 69 16.834 -29.305 -6.137 1.00 2.34 H new ATOM 0 HG21 VAL A 69 18.390 -31.967 -6.205 1.00 24.04 H new ATOM 0 HG22 VAL A 69 19.163 -30.372 -6.360 1.00 24.04 H new ATOM 0 HG23 VAL A 69 19.703 -31.503 -5.097 1.00 24.04 H new ATOM 1042 N GLU A 70 20.500 -29.160 -2.656 1.00 5.04 N ATOM 1043 CA GLU A 70 21.539 -29.571 -1.718 1.00 11.42 C ATOM 1044 C GLU A 70 22.581 -28.470 -1.544 1.00 42.41 C ATOM 1045 O GLU A 70 23.770 -28.683 -1.782 1.00 1.44 O ATOM 1046 CB GLU A 70 22.214 -30.856 -2.201 1.00 2.21 C ATOM 1047 CG GLU A 70 22.799 -30.747 -3.599 1.00 61.51 C ATOM 1048 CD GLU A 70 24.234 -31.234 -3.671 1.00 14.13 C ATOM 1049 OE1 GLU A 70 24.505 -32.352 -3.186 1.00 30.34 O ATOM 1050 OE2 GLU A 70 25.084 -30.497 -4.211 1.00 4.31 O ATOM 0 H GLU A 70 20.658 -28.250 -3.090 1.00 5.04 H new ATOM 0 HA GLU A 70 21.068 -29.758 -0.753 1.00 11.42 H new ATOM 0 HB2 GLU A 70 23.008 -31.124 -1.504 1.00 2.21 H new ATOM 0 HB3 GLU A 70 21.487 -31.668 -2.183 1.00 2.21 H new ATOM 0 HG2 GLU A 70 22.188 -31.326 -4.291 1.00 61.51 H new ATOM 0 HG3 GLU A 70 22.755 -29.709 -3.927 1.00 61.51 H new ATOM 1057 N SER A 71 22.126 -27.292 -1.129 1.00 31.04 N ATOM 1058 CA SER A 71 23.017 -26.156 -0.927 1.00 3.30 C ATOM 1059 C SER A 71 22.256 -24.963 -0.357 1.00 2.31 C ATOM 1060 O SER A 71 22.731 -24.288 0.556 1.00 45.01 O ATOM 1061 CB SER A 71 23.686 -25.765 -2.246 1.00 65.11 C ATOM 1062 OG SER A 71 23.988 -24.381 -2.275 1.00 3.24 O ATOM 0 H SER A 71 21.145 -27.100 -0.926 1.00 31.04 H new ATOM 0 HA SER A 71 23.785 -26.451 -0.211 1.00 3.30 H new ATOM 0 HB2 SER A 71 24.601 -26.343 -2.378 1.00 65.11 H new ATOM 0 HB3 SER A 71 23.028 -26.014 -3.079 1.00 65.11 H new ATOM 0 HG SER A 71 24.416 -24.157 -3.128 1.00 3.24 H new ATOM 1068 N ALA A 72 21.071 -24.709 -0.903 1.00 23.12 N ATOM 1069 CA ALA A 72 20.243 -23.599 -0.448 1.00 75.54 C ATOM 1070 C ALA A 72 20.037 -23.650 1.062 1.00 63.12 C ATOM 1071 O ALA A 72 20.505 -22.777 1.791 1.00 2.03 O ATOM 1072 CB ALA A 72 18.901 -23.614 -1.166 1.00 60.21 C ATOM 0 H ALA A 72 20.663 -25.257 -1.661 1.00 23.12 H new ATOM 0 HA ALA A 72 20.761 -22.670 -0.686 1.00 75.54 H new ATOM 0 HB1 ALA A 72 18.292 -22.780 -0.817 1.00 60.21 H new ATOM 0 HB2 ALA A 72 19.062 -23.521 -2.240 1.00 60.21 H new ATOM 0 HB3 ALA A 72 18.386 -24.552 -0.956 1.00 60.21 H new ATOM 1078 N GLY A 73 19.333 -24.679 1.525 1.00 43.23 N ATOM 1079 CA GLY A 73 19.078 -24.823 2.946 1.00 71.20 C ATOM 1080 C GLY A 73 18.325 -26.097 3.273 1.00 20.52 C ATOM 1081 O GLY A 73 17.095 -26.126 3.235 1.00 34.32 O ATOM 0 H GLY A 73 18.935 -25.415 0.941 1.00 43.23 H new ATOM 0 HA2 GLY A 73 20.026 -24.816 3.485 1.00 71.20 H new ATOM 0 HA3 GLY A 73 18.505 -23.965 3.298 1.00 71.20 H new ATOM 1085 N ILE A 74 19.064 -27.154 3.594 1.00 44.12 N ATOM 1086 CA ILE A 74 18.458 -28.437 3.928 1.00 5.30 C ATOM 1087 C ILE A 74 18.992 -28.968 5.254 1.00 13.44 C ATOM 1088 O ILE A 74 19.701 -29.972 5.309 1.00 31.53 O ATOM 1089 CB ILE A 74 18.715 -29.484 2.828 1.00 20.14 C ATOM 1090 CG1 ILE A 74 18.455 -28.880 1.447 1.00 13.52 C ATOM 1091 CG2 ILE A 74 17.841 -30.709 3.050 1.00 73.33 C ATOM 1092 CD1 ILE A 74 19.678 -28.243 0.826 1.00 63.54 C ATOM 0 H ILE A 74 20.083 -27.147 3.630 1.00 44.12 H new ATOM 0 HA ILE A 74 17.385 -28.267 4.013 1.00 5.30 H new ATOM 0 HB ILE A 74 19.759 -29.793 2.877 1.00 20.14 H new ATOM 0 HG12 ILE A 74 18.085 -29.660 0.782 1.00 13.52 H new ATOM 0 HG13 ILE A 74 17.667 -28.131 1.529 1.00 13.52 H new ATOM 0 HG21 ILE A 74 18.033 -31.440 2.265 1.00 73.33 H new ATOM 0 HG22 ILE A 74 18.071 -31.149 4.020 1.00 73.33 H new ATOM 0 HG23 ILE A 74 16.791 -30.417 3.024 1.00 73.33 H new ATOM 0 HD11 ILE A 74 19.420 -27.836 -0.151 1.00 63.54 H new ATOM 0 HD12 ILE A 74 20.037 -27.440 1.470 1.00 63.54 H new ATOM 0 HD13 ILE A 74 20.460 -28.993 0.711 1.00 63.54 H new ATOM 1104 N PRO A 75 18.642 -28.279 6.351 1.00 50.21 N ATOM 1105 CA PRO A 75 19.072 -28.664 7.698 1.00 4.33 C ATOM 1106 C PRO A 75 18.280 -29.846 8.244 1.00 32.34 C ATOM 1107 O PRO A 75 17.577 -30.531 7.501 1.00 54.21 O ATOM 1108 CB PRO A 75 18.800 -27.408 8.530 1.00 42.20 C ATOM 1109 CG PRO A 75 17.678 -26.724 7.828 1.00 71.41 C ATOM 1110 CD PRO A 75 17.799 -27.071 6.360 1.00 71.52 C ATOM 0 HA PRO A 75 20.113 -28.987 7.716 1.00 4.33 H new ATOM 0 HB2 PRO A 75 18.529 -27.663 9.555 1.00 42.20 H new ATOM 0 HB3 PRO A 75 19.682 -26.770 8.583 1.00 42.20 H new ATOM 0 HG2 PRO A 75 16.717 -27.053 8.224 1.00 71.41 H new ATOM 0 HG3 PRO A 75 17.731 -25.645 7.975 1.00 71.41 H new ATOM 0 HD2 PRO A 75 16.823 -27.261 5.912 1.00 71.52 H new ATOM 0 HD3 PRO A 75 18.257 -26.260 5.794 1.00 71.52 H new ATOM 1118 N ASP A 76 18.398 -30.081 9.547 1.00 54.34 N ATOM 1119 CA ASP A 76 17.690 -31.180 10.193 1.00 64.33 C ATOM 1120 C ASP A 76 16.335 -30.719 10.720 1.00 22.41 C ATOM 1121 O ASP A 76 15.419 -31.522 10.890 1.00 32.41 O ATOM 1122 CB ASP A 76 18.529 -31.752 11.337 1.00 62.24 C ATOM 1123 CG ASP A 76 19.843 -32.336 10.856 1.00 42.44 C ATOM 1124 OD1 ASP A 76 19.811 -33.233 9.988 1.00 21.44 O ATOM 1125 OD2 ASP A 76 20.904 -31.895 11.347 1.00 54.02 O ATOM 0 H ASP A 76 18.977 -29.525 10.176 1.00 54.34 H new ATOM 0 HA ASP A 76 17.524 -31.960 9.450 1.00 64.33 H new ATOM 0 HB2 ASP A 76 18.729 -30.966 12.065 1.00 62.24 H new ATOM 0 HB3 ASP A 76 17.958 -32.525 11.851 1.00 62.24 H new ATOM 1130 N ASN A 77 16.217 -29.421 10.978 1.00 33.01 N ATOM 1131 CA ASN A 77 14.974 -28.853 11.488 1.00 31.41 C ATOM 1132 C ASN A 77 14.705 -27.486 10.867 1.00 61.11 C ATOM 1133 O ASN A 77 15.549 -26.938 10.159 1.00 45.14 O ATOM 1134 CB ASN A 77 15.032 -28.731 13.012 1.00 23.01 C ATOM 1135 CG ASN A 77 13.661 -28.822 13.652 1.00 14.25 C ATOM 1136 OD1 ASN A 77 12.677 -29.159 12.994 1.00 52.14 O ATOM 1137 ND2 ASN A 77 13.590 -28.520 14.944 1.00 75.03 N ATOM 0 H ASN A 77 16.966 -28.743 10.842 1.00 33.01 H new ATOM 0 HA ASN A 77 14.159 -29.523 11.215 1.00 31.41 H new ATOM 0 HB2 ASN A 77 15.670 -29.519 13.413 1.00 23.01 H new ATOM 0 HB3 ASN A 77 15.493 -27.780 13.280 1.00 23.01 H new ATOM 0 HD21 ASN A 77 12.694 -28.563 15.429 1.00 75.03 H new ATOM 0 HD22 ASN A 77 14.432 -28.245 15.451 1.00 75.03 H new ATOM 1144 N SER A 78 13.524 -26.941 11.138 1.00 14.21 N ATOM 1145 CA SER A 78 13.142 -25.639 10.604 1.00 53.04 C ATOM 1146 C SER A 78 13.991 -24.530 11.217 1.00 15.41 C ATOM 1147 O SER A 78 13.618 -23.936 12.229 1.00 13.14 O ATOM 1148 CB SER A 78 11.660 -25.369 10.870 1.00 34.43 C ATOM 1149 OG SER A 78 11.101 -24.549 9.859 1.00 15.34 O ATOM 0 H SER A 78 12.815 -27.381 11.724 1.00 14.21 H new ATOM 0 HA SER A 78 13.314 -25.651 9.528 1.00 53.04 H new ATOM 0 HB2 SER A 78 11.118 -26.314 10.917 1.00 34.43 H new ATOM 0 HB3 SER A 78 11.544 -24.886 11.840 1.00 34.43 H new ATOM 0 HG SER A 78 10.153 -24.393 10.052 1.00 15.34 H new ATOM 1155 N ILE A 79 15.133 -24.256 10.597 1.00 42.03 N ATOM 1156 CA ILE A 79 16.035 -23.218 11.080 1.00 12.33 C ATOM 1157 C ILE A 79 16.533 -22.344 9.934 1.00 74.22 C ATOM 1158 O ILE A 79 17.731 -22.284 9.661 1.00 64.02 O ATOM 1159 CB ILE A 79 17.247 -23.822 11.814 1.00 13.42 C ATOM 1160 CG1 ILE A 79 16.786 -24.872 12.826 1.00 31.44 C ATOM 1161 CG2 ILE A 79 18.046 -22.727 12.505 1.00 24.44 C ATOM 1162 CD1 ILE A 79 15.929 -24.306 13.937 1.00 23.53 C ATOM 0 H ILE A 79 15.456 -24.739 9.758 1.00 42.03 H new ATOM 0 HA ILE A 79 15.465 -22.606 11.779 1.00 12.33 H new ATOM 0 HB ILE A 79 17.892 -24.309 11.082 1.00 13.42 H new ATOM 0 HG12 ILE A 79 16.224 -25.646 12.303 1.00 31.44 H new ATOM 0 HG13 ILE A 79 17.661 -25.353 13.263 1.00 31.44 H new ATOM 0 HG21 ILE A 79 18.899 -23.169 13.020 1.00 24.44 H new ATOM 0 HG22 ILE A 79 18.400 -22.012 11.763 1.00 24.44 H new ATOM 0 HG23 ILE A 79 17.411 -22.215 13.228 1.00 24.44 H new ATOM 0 HD11 ILE A 79 15.639 -25.107 14.617 1.00 23.53 H new ATOM 0 HD12 ILE A 79 16.495 -23.552 14.485 1.00 23.53 H new ATOM 0 HD13 ILE A 79 15.035 -23.850 13.511 1.00 23.53 H new ATOM 1174 N SER A 80 15.604 -21.667 9.267 1.00 54.14 N ATOM 1175 CA SER A 80 15.947 -20.797 8.148 1.00 64.33 C ATOM 1176 C SER A 80 14.803 -19.838 7.834 1.00 44.20 C ATOM 1177 O SER A 80 13.645 -20.111 8.150 1.00 4.40 O ATOM 1178 CB SER A 80 16.282 -21.632 6.910 1.00 42.21 C ATOM 1179 OG SER A 80 16.766 -20.814 5.859 1.00 54.52 O ATOM 0 H SER A 80 14.608 -21.704 9.482 1.00 54.14 H new ATOM 0 HA SER A 80 16.822 -20.211 8.430 1.00 64.33 H new ATOM 0 HB2 SER A 80 17.030 -22.382 7.165 1.00 42.21 H new ATOM 0 HB3 SER A 80 15.393 -22.168 6.578 1.00 42.21 H new ATOM 0 HG SER A 80 16.974 -21.371 5.080 1.00 54.52 H new ATOM 1185 N SER A 81 15.137 -18.713 7.210 1.00 44.21 N ATOM 1186 CA SER A 81 14.140 -17.710 6.856 1.00 13.21 C ATOM 1187 C SER A 81 14.707 -16.708 5.855 1.00 65.42 C ATOM 1188 O SER A 81 15.923 -16.559 5.730 1.00 2.13 O ATOM 1189 CB SER A 81 13.656 -16.977 8.109 1.00 72.01 C ATOM 1190 OG SER A 81 12.328 -17.349 8.437 1.00 64.33 O ATOM 0 H SER A 81 16.091 -18.473 6.939 1.00 44.21 H new ATOM 0 HA SER A 81 13.296 -18.221 6.393 1.00 13.21 H new ATOM 0 HB2 SER A 81 14.318 -17.204 8.945 1.00 72.01 H new ATOM 0 HB3 SER A 81 13.706 -15.900 7.946 1.00 72.01 H new ATOM 0 HG SER A 81 12.259 -18.326 8.464 1.00 64.33 H new ATOM 1196 N PHE A 82 13.818 -16.025 5.143 1.00 41.54 N ATOM 1197 CA PHE A 82 14.229 -15.038 4.151 1.00 40.52 C ATOM 1198 C PHE A 82 13.182 -13.936 4.014 1.00 42.22 C ATOM 1199 O PHE A 82 11.983 -14.208 3.957 1.00 71.14 O ATOM 1200 CB PHE A 82 14.459 -15.710 2.796 1.00 55.13 C ATOM 1201 CG PHE A 82 13.187 -16.042 2.068 1.00 0.13 C ATOM 1202 CD1 PHE A 82 12.255 -16.899 2.631 1.00 11.32 C ATOM 1203 CD2 PHE A 82 12.924 -15.497 0.822 1.00 13.20 C ATOM 1204 CE1 PHE A 82 11.085 -17.206 1.963 1.00 35.45 C ATOM 1205 CE2 PHE A 82 11.755 -15.801 0.150 1.00 52.53 C ATOM 1206 CZ PHE A 82 10.834 -16.656 0.722 1.00 54.31 C ATOM 0 H PHE A 82 12.808 -16.136 5.234 1.00 41.54 H new ATOM 0 HA PHE A 82 15.163 -14.588 4.488 1.00 40.52 H new ATOM 0 HB2 PHE A 82 15.065 -15.053 2.172 1.00 55.13 H new ATOM 0 HB3 PHE A 82 15.032 -16.625 2.946 1.00 55.13 H new ATOM 0 HD1 PHE A 82 12.445 -17.332 3.602 1.00 11.32 H new ATOM 0 HD2 PHE A 82 13.641 -14.827 0.370 1.00 13.20 H new ATOM 0 HE1 PHE A 82 10.367 -17.876 2.412 1.00 35.45 H new ATOM 0 HE2 PHE A 82 11.562 -15.370 -0.821 1.00 52.53 H new ATOM 0 HZ PHE A 82 9.919 -16.894 0.200 1.00 54.31 H new ATOM 1216 N ARG A 83 13.645 -12.691 3.963 1.00 61.15 N ATOM 1217 CA ARG A 83 12.750 -11.548 3.834 1.00 12.32 C ATOM 1218 C ARG A 83 12.587 -11.146 2.371 1.00 21.01 C ATOM 1219 O ARG A 83 13.556 -10.775 1.709 1.00 54.22 O ATOM 1220 CB ARG A 83 13.282 -10.363 4.643 1.00 35.22 C ATOM 1221 CG ARG A 83 13.150 -10.544 6.147 1.00 71.44 C ATOM 1222 CD ARG A 83 12.091 -9.621 6.728 1.00 33.23 C ATOM 1223 NE ARG A 83 12.673 -8.407 7.293 1.00 4.02 N ATOM 1224 CZ ARG A 83 13.340 -8.377 8.442 1.00 61.43 C ATOM 1225 NH1 ARG A 83 13.508 -9.490 9.143 1.00 0.35 N ATOM 1226 NH2 ARG A 83 13.841 -7.233 8.890 1.00 20.41 N ATOM 0 H ARG A 83 14.635 -12.449 4.009 1.00 61.15 H new ATOM 0 HA ARG A 83 11.774 -11.837 4.224 1.00 12.32 H new ATOM 0 HB2 ARG A 83 14.332 -10.207 4.395 1.00 35.22 H new ATOM 0 HB3 ARG A 83 12.747 -9.461 4.346 1.00 35.22 H new ATOM 0 HG2 ARG A 83 12.893 -11.580 6.369 1.00 71.44 H new ATOM 0 HG3 ARG A 83 14.109 -10.345 6.624 1.00 71.44 H new ATOM 0 HD2 ARG A 83 11.378 -9.352 5.949 1.00 33.23 H new ATOM 0 HD3 ARG A 83 11.534 -10.150 7.501 1.00 33.23 H new ATOM 0 HE ARG A 83 12.562 -7.534 6.777 1.00 4.02 H new ATOM 0 HH11 ARG A 83 13.125 -10.371 8.801 1.00 0.35 H new ATOM 0 HH12 ARG A 83 14.020 -9.465 10.025 1.00 0.35 H new ATOM 0 HH21 ARG A 83 13.714 -6.375 8.352 1.00 20.41 H new ATOM 0 HH22 ARG A 83 14.353 -7.211 9.772 1.00 20.41 H new ATOM 1240 N GLN A 84 11.357 -11.224 1.875 1.00 54.02 N ATOM 1241 CA GLN A 84 11.068 -10.870 0.490 1.00 2.31 C ATOM 1242 C GLN A 84 10.966 -9.357 0.325 1.00 0.01 C ATOM 1243 O GLN A 84 9.899 -8.773 0.515 1.00 33.03 O ATOM 1244 CB GLN A 84 9.769 -11.534 0.032 1.00 55.42 C ATOM 1245 CG GLN A 84 9.923 -13.009 -0.299 1.00 70.15 C ATOM 1246 CD GLN A 84 8.598 -13.747 -0.310 1.00 45.54 C ATOM 1247 OE1 GLN A 84 7.751 -13.511 -1.172 1.00 15.34 O ATOM 1248 NE2 GLN A 84 8.413 -14.646 0.649 1.00 65.02 N ATOM 0 H GLN A 84 10.545 -11.529 2.411 1.00 54.02 H new ATOM 0 HA GLN A 84 11.889 -11.230 -0.130 1.00 2.31 H new ATOM 0 HB2 GLN A 84 9.018 -11.422 0.814 1.00 55.42 H new ATOM 0 HB3 GLN A 84 9.393 -11.010 -0.847 1.00 55.42 H new ATOM 0 HG2 GLN A 84 10.399 -13.111 -1.274 1.00 70.15 H new ATOM 0 HG3 GLN A 84 10.587 -13.474 0.430 1.00 70.15 H new ATOM 0 HE21 GLN A 84 9.143 -14.809 1.343 1.00 65.02 H new ATOM 0 HE22 GLN A 84 7.541 -15.174 0.692 1.00 65.02 H new ATOM 1257 N ILE A 85 12.082 -8.729 -0.029 1.00 50.21 N ATOM 1258 CA ILE A 85 12.117 -7.284 -0.220 1.00 61.20 C ATOM 1259 C ILE A 85 12.366 -6.929 -1.682 1.00 11.21 C ATOM 1260 O ILE A 85 13.497 -6.653 -2.081 1.00 42.50 O ATOM 1261 CB ILE A 85 13.206 -6.628 0.649 1.00 43.33 C ATOM 1262 CG1 ILE A 85 14.518 -7.408 0.536 1.00 11.41 C ATOM 1263 CG2 ILE A 85 12.752 -6.551 2.099 1.00 43.33 C ATOM 1264 CD1 ILE A 85 15.746 -6.525 0.520 1.00 42.15 C ATOM 0 H ILE A 85 12.974 -9.198 -0.189 1.00 50.21 H new ATOM 0 HA ILE A 85 11.142 -6.901 0.083 1.00 61.20 H new ATOM 0 HB ILE A 85 13.376 -5.614 0.288 1.00 43.33 H new ATOM 0 HG12 ILE A 85 14.591 -8.103 1.372 1.00 11.41 H new ATOM 0 HG13 ILE A 85 14.498 -8.006 -0.375 1.00 11.41 H new ATOM 0 HG21 ILE A 85 13.533 -6.085 2.700 1.00 43.33 H new ATOM 0 HG22 ILE A 85 11.841 -5.957 2.164 1.00 43.33 H new ATOM 0 HG23 ILE A 85 12.557 -7.556 2.473 1.00 43.33 H new ATOM 0 HD11 ILE A 85 16.639 -7.145 0.438 1.00 42.15 H new ATOM 0 HD12 ILE A 85 15.696 -5.847 -0.332 1.00 42.15 H new ATOM 0 HD13 ILE A 85 15.790 -5.946 1.442 1.00 42.15 H new