USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 426 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 45 ASN : amide:sc= -0.0415 K(o=-1.1,f=-1.9) USER MOD Set 1.2: A 47 GLN : amide:sc= -1.05 K(o=-1.1,f=-3.4) USER MOD Set 2.1: A 27 THR OG1 : rot -61:sc= 1.01 USER MOD Set 2.2: A 44 TYR OH : rot -70:sc= -0.749 USER MOD Single : A 4 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.17) USER MOD Single : A 5 MET CE :methyl 158:sc= -0.285 (180deg=-1.57) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 13 TYR OH : rot -130:sc= 1.28 USER MOD Single : A 14 MET CE :methyl 166:sc= -0.0756 (180deg=-0.406) USER MOD Single : A 22 SER OG : rot 32:sc= 0.236 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -131:sc= -1.5 (180deg=-4.06!) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 1.07 (180deg=1.06) USER MOD Single : A 35 CYS SG : rot 112:sc= 0.379 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0694 USER MOD Single : A 43 SER OG : rot 54:sc= 0.709 USER MOD Single : A 53 SER OG : rot -91:sc= 1.28 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.01 USER MOD ----------------------------------------------------------------- ATOM 38 N ASN A 4 -11.565 1.209 2.820 1.00 0.00 N ATOM 39 CA ASN A 4 -11.223 2.567 2.397 1.00 0.00 C ATOM 40 C ASN A 4 -10.499 3.299 3.525 1.00 0.00 C ATOM 41 O ASN A 4 -10.951 4.327 4.018 1.00 0.00 O ATOM 42 CB ASN A 4 -12.476 3.341 1.949 1.00 0.00 C ATOM 43 CG ASN A 4 -12.159 4.675 1.292 1.00 0.00 C ATOM 44 OD1 ASN A 4 -12.057 5.707 1.955 1.00 0.00 O ATOM 45 ND2 ASN A 4 -12.023 4.663 -0.025 1.00 0.00 N ATOM 0 HA ASN A 4 -10.554 2.504 1.538 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -13.043 2.726 1.250 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -13.116 3.514 2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.827 5.530 -0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.115 3.787 -0.539 1.00 0.00 H new ATOM 52 N MET A 5 -9.390 2.728 3.957 1.00 0.00 N ATOM 53 CA MET A 5 -8.581 3.321 4.993 1.00 0.00 C ATOM 54 C MET A 5 -7.336 3.955 4.394 1.00 0.00 C ATOM 55 O MET A 5 -6.545 3.280 3.739 1.00 0.00 O ATOM 56 CB MET A 5 -8.186 2.259 6.009 1.00 0.00 C ATOM 57 CG MET A 5 -9.263 1.956 7.037 1.00 0.00 C ATOM 58 SD MET A 5 -8.712 0.781 8.289 1.00 0.00 S ATOM 59 CE MET A 5 -7.261 1.620 8.926 1.00 0.00 C ATOM 0 H MET A 5 -9.030 1.844 3.598 1.00 0.00 H new ATOM 0 HA MET A 5 -9.161 4.097 5.492 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.935 1.340 5.480 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.284 2.585 6.528 1.00 0.00 H new ATOM 0 HG2 MET A 5 -9.568 2.883 7.523 1.00 0.00 H new ATOM 0 HG3 MET A 5 -10.142 1.557 6.531 1.00 0.00 H new ATOM 0 HE1 MET A 5 -7.037 1.250 9.926 1.00 0.00 H new ATOM 0 HE2 MET A 5 -6.412 1.428 8.269 1.00 0.00 H new ATOM 0 HE3 MET A 5 -7.451 2.692 8.970 1.00 0.00 H new ATOM 69 N PRO A 6 -7.159 5.263 4.591 1.00 0.00 N ATOM 70 CA PRO A 6 -5.976 5.973 4.113 1.00 0.00 C ATOM 71 C PRO A 6 -4.726 5.538 4.868 1.00 0.00 C ATOM 72 O PRO A 6 -4.726 5.484 6.098 1.00 0.00 O ATOM 73 CB PRO A 6 -6.287 7.447 4.398 1.00 0.00 C ATOM 74 CG PRO A 6 -7.743 7.499 4.726 1.00 0.00 C ATOM 75 CD PRO A 6 -8.088 6.155 5.294 1.00 0.00 C ATOM 0 HA PRO A 6 -5.775 5.775 3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.686 7.820 5.227 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.058 8.069 3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.953 8.291 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.336 7.710 3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.943 6.122 6.374 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.128 5.889 5.104 1.00 0.00 H new ATOM 83 N ALA A 7 -3.668 5.223 4.131 1.00 0.00 N ATOM 84 CA ALA A 7 -2.427 4.768 4.736 1.00 0.00 C ATOM 85 C ALA A 7 -1.235 5.493 4.126 1.00 0.00 C ATOM 86 O ALA A 7 -1.091 5.570 2.907 1.00 0.00 O ATOM 87 CB ALA A 7 -2.274 3.260 4.593 1.00 0.00 C ATOM 0 H ALA A 7 -3.647 5.275 3.113 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.462 5.003 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.338 2.944 5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.108 2.761 5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.267 2.994 3.536 1.00 0.00 H new ATOM 93 N TYR A 8 -0.393 6.019 4.994 1.00 0.00 N ATOM 94 CA TYR A 8 0.744 6.833 4.599 1.00 0.00 C ATOM 95 C TYR A 8 1.949 5.941 4.323 1.00 0.00 C ATOM 96 O TYR A 8 2.358 5.165 5.182 1.00 0.00 O ATOM 97 CB TYR A 8 1.057 7.829 5.723 1.00 0.00 C ATOM 98 CG TYR A 8 -0.188 8.370 6.396 1.00 0.00 C ATOM 99 CD1 TYR A 8 -1.180 9.020 5.667 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.376 8.215 7.765 1.00 0.00 C ATOM 101 CE1 TYR A 8 -2.322 9.493 6.286 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.513 8.688 8.388 1.00 0.00 C ATOM 103 CZ TYR A 8 -2.481 9.325 7.647 1.00 0.00 C ATOM 104 OH TYR A 8 -3.620 9.783 8.265 1.00 0.00 O ATOM 0 H TYR A 8 -0.478 5.893 6.003 1.00 0.00 H new ATOM 0 HA TYR A 8 0.509 7.382 3.687 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.684 7.341 6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.633 8.659 5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.056 9.157 4.603 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.381 7.716 8.351 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.086 9.991 5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.642 8.559 9.452 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.574 9.584 9.224 1.00 0.00 H new ATOM 114 N VAL A 9 2.505 6.041 3.129 1.00 0.00 N ATOM 115 CA VAL A 9 3.610 5.175 2.736 1.00 0.00 C ATOM 116 C VAL A 9 4.841 5.404 3.612 1.00 0.00 C ATOM 117 O VAL A 9 5.278 6.540 3.811 1.00 0.00 O ATOM 118 CB VAL A 9 3.990 5.372 1.257 1.00 0.00 C ATOM 119 CG1 VAL A 9 5.165 4.482 0.889 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.806 5.074 0.355 1.00 0.00 C ATOM 0 H VAL A 9 2.214 6.709 2.415 1.00 0.00 H new ATOM 0 HA VAL A 9 3.264 4.151 2.874 1.00 0.00 H new ATOM 0 HB VAL A 9 4.280 6.413 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.421 4.633 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.023 4.735 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.895 3.438 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.096 5.219 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.487 4.042 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.984 5.746 0.600 1.00 0.00 H new ATOM 130 N LYS A 10 5.385 4.309 4.129 1.00 0.00 N ATOM 131 CA LYS A 10 6.570 4.351 4.985 1.00 0.00 C ATOM 132 C LYS A 10 7.829 4.594 4.165 1.00 0.00 C ATOM 133 O LYS A 10 8.590 5.518 4.442 1.00 0.00 O ATOM 134 CB LYS A 10 6.724 3.037 5.757 1.00 0.00 C ATOM 135 CG LYS A 10 5.901 2.952 7.028 1.00 0.00 C ATOM 136 CD LYS A 10 6.507 3.797 8.137 1.00 0.00 C ATOM 137 CE LYS A 10 5.833 3.519 9.468 1.00 0.00 C ATOM 138 NZ LYS A 10 6.436 4.302 10.580 1.00 0.00 N ATOM 0 H LYS A 10 5.021 3.370 3.969 1.00 0.00 H new ATOM 0 HA LYS A 10 6.437 5.174 5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.444 2.211 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.775 2.901 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.883 3.287 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.837 1.914 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.574 3.588 8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.407 4.854 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.772 3.757 9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.906 2.455 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.943 4.079 11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.443 4.057 10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.344 5.318 10.379 1.00 0.00 H new ATOM 152 N PHE A 11 8.050 3.743 3.170 1.00 0.00 N ATOM 153 CA PHE A 11 9.245 3.825 2.340 1.00 0.00 C ATOM 154 C PHE A 11 8.898 3.549 0.885 1.00 0.00 C ATOM 155 O PHE A 11 7.857 2.962 0.590 1.00 0.00 O ATOM 156 CB PHE A 11 10.305 2.824 2.808 1.00 0.00 C ATOM 157 CG PHE A 11 10.796 3.065 4.206 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.721 4.063 4.464 1.00 0.00 C ATOM 159 CD2 PHE A 11 10.329 2.298 5.261 1.00 0.00 C ATOM 160 CE1 PHE A 11 12.173 4.292 5.749 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.777 2.522 6.549 1.00 0.00 C ATOM 162 CZ PHE A 11 11.700 3.522 6.792 1.00 0.00 C ATOM 0 H PHE A 11 7.415 2.986 2.918 1.00 0.00 H new ATOM 0 HA PHE A 11 9.648 4.834 2.432 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.891 1.817 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.153 2.862 2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.093 4.669 3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.607 1.517 5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.895 5.072 5.937 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.407 1.917 7.364 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.051 3.701 7.798 1.00 0.00 H new ATOM 172 N ASN A 12 9.778 3.973 -0.008 1.00 0.00 N ATOM 173 CA ASN A 12 9.601 3.762 -1.439 1.00 0.00 C ATOM 174 C ASN A 12 9.551 2.274 -1.769 1.00 0.00 C ATOM 175 O ASN A 12 10.481 1.524 -1.464 1.00 0.00 O ATOM 176 CB ASN A 12 10.747 4.426 -2.212 1.00 0.00 C ATOM 177 CG ASN A 12 10.672 4.182 -3.709 1.00 0.00 C ATOM 178 OD1 ASN A 12 9.592 4.103 -4.289 1.00 0.00 O ATOM 179 ND2 ASN A 12 11.826 4.043 -4.340 1.00 0.00 N ATOM 0 H ASN A 12 10.633 4.472 0.236 1.00 0.00 H new ATOM 0 HA ASN A 12 8.654 4.213 -1.735 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.731 5.499 -2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.698 4.050 -1.835 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.840 3.863 -5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.702 4.115 -3.823 1.00 0.00 H new ATOM 186 N TYR A 13 8.465 1.858 -2.396 1.00 0.00 N ATOM 187 CA TYR A 13 8.302 0.479 -2.808 1.00 0.00 C ATOM 188 C TYR A 13 7.946 0.431 -4.283 1.00 0.00 C ATOM 189 O TYR A 13 6.802 0.677 -4.668 1.00 0.00 O ATOM 190 CB TYR A 13 7.220 -0.216 -1.974 1.00 0.00 C ATOM 191 CG TYR A 13 6.970 -1.651 -2.382 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.849 -2.663 -2.019 1.00 0.00 C ATOM 193 CD2 TYR A 13 5.853 -1.990 -3.133 1.00 0.00 C ATOM 194 CE1 TYR A 13 7.619 -3.974 -2.393 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.614 -3.298 -3.510 1.00 0.00 C ATOM 196 CZ TYR A 13 6.501 -4.288 -3.138 1.00 0.00 C ATOM 197 OH TYR A 13 6.266 -5.593 -3.503 1.00 0.00 O ATOM 0 H TYR A 13 7.678 2.463 -2.632 1.00 0.00 H new ATOM 0 HA TYR A 13 9.241 -0.051 -2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.510 -0.191 -0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.290 0.345 -2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.726 -2.422 -1.436 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.158 -1.218 -3.428 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.312 -4.750 -2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.738 -3.544 -4.092 1.00 0.00 H new ATOM 0 HH TYR A 13 6.084 -5.636 -4.465 1.00 0.00 H new ATOM 207 N MET A 14 8.935 0.143 -5.108 1.00 0.00 N ATOM 208 CA MET A 14 8.721 0.068 -6.542 1.00 0.00 C ATOM 209 C MET A 14 8.105 -1.271 -6.914 1.00 0.00 C ATOM 210 O MET A 14 8.658 -2.330 -6.609 1.00 0.00 O ATOM 211 CB MET A 14 10.033 0.280 -7.299 1.00 0.00 C ATOM 212 CG MET A 14 9.855 0.365 -8.809 1.00 0.00 C ATOM 213 SD MET A 14 8.712 1.670 -9.306 1.00 0.00 S ATOM 214 CE MET A 14 9.532 3.122 -8.651 1.00 0.00 C ATOM 0 H MET A 14 9.893 -0.043 -4.811 1.00 0.00 H new ATOM 0 HA MET A 14 8.031 0.862 -6.827 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.504 1.197 -6.944 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.714 -0.539 -7.067 1.00 0.00 H new ATOM 0 HG2 MET A 14 10.825 0.540 -9.275 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.491 -0.592 -9.182 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.087 4.018 -9.085 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.416 3.147 -7.567 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.592 3.085 -8.902 1.00 0.00 H new ATOM 224 N ALA A 15 6.951 -1.213 -7.557 1.00 0.00 N ATOM 225 CA ALA A 15 6.247 -2.416 -7.968 1.00 0.00 C ATOM 226 C ALA A 15 6.840 -2.967 -9.259 1.00 0.00 C ATOM 227 O ALA A 15 7.295 -2.208 -10.116 1.00 0.00 O ATOM 228 CB ALA A 15 4.762 -2.125 -8.142 1.00 0.00 C ATOM 0 H ALA A 15 6.481 -0.343 -7.806 1.00 0.00 H new ATOM 0 HA ALA A 15 6.363 -3.170 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.247 -3.035 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.347 -1.775 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.629 -1.357 -8.904 1.00 0.00 H new ATOM 234 N GLU A 16 6.849 -4.285 -9.386 1.00 0.00 N ATOM 235 CA GLU A 16 7.358 -4.929 -10.584 1.00 0.00 C ATOM 236 C GLU A 16 6.190 -5.447 -11.413 1.00 0.00 C ATOM 237 O GLU A 16 6.007 -5.055 -12.567 1.00 0.00 O ATOM 238 CB GLU A 16 8.295 -6.082 -10.210 1.00 0.00 C ATOM 239 CG GLU A 16 9.508 -6.228 -11.120 1.00 0.00 C ATOM 240 CD GLU A 16 9.147 -6.356 -12.587 1.00 0.00 C ATOM 241 OE1 GLU A 16 8.552 -7.382 -12.971 1.00 0.00 O ATOM 242 OE2 GLU A 16 9.461 -5.423 -13.361 1.00 0.00 O ATOM 0 H GLU A 16 6.509 -4.929 -8.672 1.00 0.00 H new ATOM 0 HA GLU A 16 7.923 -4.204 -11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.640 -5.936 -9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.729 -7.014 -10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.159 -5.364 -10.987 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.078 -7.106 -10.816 1.00 0.00 H new ATOM 249 N ARG A 17 5.382 -6.303 -10.803 1.00 0.00 N ATOM 250 CA ARG A 17 4.243 -6.891 -11.485 1.00 0.00 C ATOM 251 C ARG A 17 3.045 -5.949 -11.442 1.00 0.00 C ATOM 252 O ARG A 17 3.027 -4.982 -10.683 1.00 0.00 O ATOM 253 CB ARG A 17 3.879 -8.243 -10.869 1.00 0.00 C ATOM 254 CG ARG A 17 5.003 -9.265 -10.924 1.00 0.00 C ATOM 255 CD ARG A 17 4.480 -10.674 -10.691 1.00 0.00 C ATOM 256 NE ARG A 17 5.559 -11.660 -10.607 1.00 0.00 N ATOM 257 CZ ARG A 17 6.138 -12.244 -11.658 1.00 0.00 C ATOM 258 NH1 ARG A 17 5.746 -11.965 -12.897 1.00 0.00 N ATOM 259 NH2 ARG A 17 7.105 -13.127 -11.463 1.00 0.00 N ATOM 0 H ARG A 17 5.496 -6.605 -9.835 1.00 0.00 H new ATOM 0 HA ARG A 17 4.520 -7.052 -12.527 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.589 -8.092 -9.829 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.009 -8.646 -11.388 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.497 -9.214 -11.894 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.754 -9.024 -10.171 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.898 -10.696 -9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.804 -10.947 -11.501 1.00 0.00 H new ATOM 0 HE ARG A 17 5.892 -11.919 -9.678 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.992 -11.296 -13.055 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.199 -12.420 -13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.402 -13.357 -10.515 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.553 -13.578 -12.261 1.00 0.00 H new ATOM 273 N GLU A 18 2.047 -6.248 -12.261 1.00 0.00 N ATOM 274 CA GLU A 18 0.878 -5.391 -12.413 1.00 0.00 C ATOM 275 C GLU A 18 -0.040 -5.491 -11.196 1.00 0.00 C ATOM 276 O GLU A 18 -0.800 -4.570 -10.897 1.00 0.00 O ATOM 277 CB GLU A 18 0.128 -5.783 -13.687 1.00 0.00 C ATOM 278 CG GLU A 18 -1.091 -4.929 -13.971 1.00 0.00 C ATOM 279 CD GLU A 18 -1.758 -5.296 -15.274 1.00 0.00 C ATOM 280 OE1 GLU A 18 -2.508 -6.290 -15.304 1.00 0.00 O ATOM 281 OE2 GLU A 18 -1.544 -4.582 -16.276 1.00 0.00 O ATOM 0 H GLU A 18 2.024 -7.089 -12.838 1.00 0.00 H new ATOM 0 HA GLU A 18 1.207 -4.355 -12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.811 -5.716 -14.534 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.181 -6.825 -13.608 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.806 -5.039 -13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.798 -3.880 -13.999 1.00 0.00 H new ATOM 288 N ASP A 19 0.038 -6.613 -10.499 1.00 0.00 N ATOM 289 CA ASP A 19 -0.788 -6.847 -9.320 1.00 0.00 C ATOM 290 C ASP A 19 -0.108 -6.319 -8.059 1.00 0.00 C ATOM 291 O ASP A 19 -0.621 -6.469 -6.953 1.00 0.00 O ATOM 292 CB ASP A 19 -1.117 -8.338 -9.182 1.00 0.00 C ATOM 293 CG ASP A 19 0.109 -9.227 -9.246 1.00 0.00 C ATOM 294 OD1 ASP A 19 0.752 -9.282 -10.319 1.00 0.00 O ATOM 295 OD2 ASP A 19 0.411 -9.904 -8.244 1.00 0.00 O ATOM 0 H ASP A 19 0.668 -7.382 -10.729 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.723 -6.300 -9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.630 -8.504 -8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.809 -8.626 -9.974 1.00 0.00 H new ATOM 300 N GLU A 20 1.049 -5.702 -8.239 1.00 0.00 N ATOM 301 CA GLU A 20 1.724 -4.998 -7.157 1.00 0.00 C ATOM 302 C GLU A 20 1.287 -3.539 -7.131 1.00 0.00 C ATOM 303 O GLU A 20 0.679 -3.045 -8.084 1.00 0.00 O ATOM 304 CB GLU A 20 3.240 -5.051 -7.322 1.00 0.00 C ATOM 305 CG GLU A 20 3.880 -6.358 -6.901 1.00 0.00 C ATOM 306 CD GLU A 20 5.384 -6.323 -7.077 1.00 0.00 C ATOM 307 OE1 GLU A 20 6.092 -5.910 -6.131 1.00 0.00 O ATOM 308 OE2 GLU A 20 5.866 -6.680 -8.168 1.00 0.00 O ATOM 0 H GLU A 20 1.544 -5.674 -9.130 1.00 0.00 H new ATOM 0 HA GLU A 20 1.452 -5.490 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.484 -4.863 -8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.683 -4.242 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.640 -6.562 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.463 -7.175 -7.490 1.00 0.00 H new ATOM 315 N LEU A 21 1.608 -2.849 -6.051 1.00 0.00 N ATOM 316 CA LEU A 21 1.289 -1.439 -5.930 1.00 0.00 C ATOM 317 C LEU A 21 2.555 -0.629 -5.667 1.00 0.00 C ATOM 318 O LEU A 21 3.289 -0.902 -4.719 1.00 0.00 O ATOM 319 CB LEU A 21 0.286 -1.224 -4.798 1.00 0.00 C ATOM 320 CG LEU A 21 -0.313 0.178 -4.721 1.00 0.00 C ATOM 321 CD1 LEU A 21 -1.105 0.489 -5.981 1.00 0.00 C ATOM 322 CD2 LEU A 21 -1.192 0.316 -3.488 1.00 0.00 C ATOM 0 H LEU A 21 2.090 -3.244 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 21 0.846 -1.100 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.525 -1.943 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.778 -1.445 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 21 0.502 0.897 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.525 1.492 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.447 0.433 -6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.912 -0.235 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.610 1.322 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.002 -0.412 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.595 0.137 -2.594 1.00 0.00 H new ATOM 334 N SER A 22 2.810 0.358 -6.515 1.00 0.00 N ATOM 335 CA SER A 22 3.969 1.222 -6.361 1.00 0.00 C ATOM 336 C SER A 22 3.731 2.242 -5.251 1.00 0.00 C ATOM 337 O SER A 22 2.810 3.056 -5.331 1.00 0.00 O ATOM 338 CB SER A 22 4.261 1.930 -7.684 1.00 0.00 C ATOM 339 OG SER A 22 3.092 2.554 -8.189 1.00 0.00 O ATOM 0 H SER A 22 2.225 0.580 -7.321 1.00 0.00 H new ATOM 0 HA SER A 22 4.831 0.615 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.043 2.676 -7.538 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.638 1.211 -8.411 1.00 0.00 H new ATOM 0 HG SER A 22 2.533 2.855 -7.442 1.00 0.00 H new ATOM 345 N LEU A 23 4.555 2.189 -4.216 1.00 0.00 N ATOM 346 CA LEU A 23 4.398 3.078 -3.074 1.00 0.00 C ATOM 347 C LEU A 23 5.514 4.113 -3.039 1.00 0.00 C ATOM 348 O LEU A 23 6.667 3.805 -3.331 1.00 0.00 O ATOM 349 CB LEU A 23 4.392 2.286 -1.765 1.00 0.00 C ATOM 350 CG LEU A 23 3.339 1.180 -1.660 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.325 0.595 -0.256 1.00 0.00 C ATOM 352 CD2 LEU A 23 1.962 1.705 -2.033 1.00 0.00 C ATOM 0 H LEU A 23 5.339 1.541 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 23 3.442 3.590 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.376 1.838 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.242 2.984 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 23 3.601 0.390 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.571 -0.190 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.305 0.176 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.089 1.380 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.231 0.900 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.687 2.516 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.979 2.076 -3.058 1.00 0.00 H new ATOM 364 N ILE A 24 5.159 5.335 -2.671 1.00 0.00 N ATOM 365 CA ILE A 24 6.111 6.432 -2.592 1.00 0.00 C ATOM 366 C ILE A 24 6.103 7.029 -1.197 1.00 0.00 C ATOM 367 O ILE A 24 5.062 7.496 -0.729 1.00 0.00 O ATOM 368 CB ILE A 24 5.776 7.552 -3.600 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.873 7.029 -5.035 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.689 8.758 -3.390 1.00 0.00 C ATOM 371 CD1 ILE A 24 7.261 6.564 -5.425 1.00 0.00 C ATOM 0 H ILE A 24 4.205 5.593 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 24 7.093 6.023 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 24 4.750 7.876 -3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.175 6.201 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.558 7.816 -5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.436 9.536 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.556 9.143 -2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.727 8.457 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.249 6.208 -6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.961 7.395 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.572 5.755 -4.765 1.00 0.00 H new ATOM 383 N LYS A 25 7.244 6.995 -0.525 1.00 0.00 N ATOM 384 CA LYS A 25 7.354 7.621 0.784 1.00 0.00 C ATOM 385 C LYS A 25 6.935 9.079 0.674 1.00 0.00 C ATOM 386 O LYS A 25 7.505 9.839 -0.107 1.00 0.00 O ATOM 387 CB LYS A 25 8.783 7.550 1.320 1.00 0.00 C ATOM 388 CG LYS A 25 8.888 8.023 2.758 1.00 0.00 C ATOM 389 CD LYS A 25 10.305 8.415 3.141 1.00 0.00 C ATOM 390 CE LYS A 25 10.762 9.649 2.379 1.00 0.00 C ATOM 391 NZ LYS A 25 11.828 10.388 3.108 1.00 0.00 N ATOM 0 H LYS A 25 8.097 6.547 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 25 6.704 7.085 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.143 6.523 1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.434 8.159 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.226 8.877 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.541 7.232 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.354 8.608 4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.982 7.586 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.132 9.353 1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.911 10.309 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.112 11.222 2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.468 10.693 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.651 9.766 3.244 1.00 0.00 H new ATOM 405 N GLY A 26 5.936 9.463 1.444 1.00 0.00 N ATOM 406 CA GLY A 26 5.430 10.812 1.362 1.00 0.00 C ATOM 407 C GLY A 26 4.020 10.862 0.823 1.00 0.00 C ATOM 408 O GLY A 26 3.328 11.865 0.980 1.00 0.00 O ATOM 0 H GLY A 26 5.466 8.866 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.455 11.268 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.083 11.405 0.721 1.00 0.00 H new ATOM 412 N THR A 27 3.588 9.780 0.188 1.00 0.00 N ATOM 413 CA THR A 27 2.247 9.723 -0.374 1.00 0.00 C ATOM 414 C THR A 27 1.338 8.838 0.473 1.00 0.00 C ATOM 415 O THR A 27 1.775 8.245 1.465 1.00 0.00 O ATOM 416 CB THR A 27 2.253 9.226 -1.836 1.00 0.00 C ATOM 417 OG1 THR A 27 2.800 7.904 -1.921 1.00 0.00 O ATOM 418 CG2 THR A 27 3.066 10.164 -2.711 1.00 0.00 C ATOM 0 H THR A 27 4.143 8.936 0.050 1.00 0.00 H new ATOM 0 HA THR A 27 1.858 10.741 -0.368 1.00 0.00 H new ATOM 0 HB THR A 27 1.221 9.207 -2.188 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.724 7.910 -1.594 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.060 9.800 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.630 11.162 -2.678 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.092 10.204 -2.346 1.00 0.00 H new ATOM 426 N LYS A 28 0.081 8.740 0.072 1.00 0.00 N ATOM 427 CA LYS A 28 -0.922 8.042 0.857 1.00 0.00 C ATOM 428 C LYS A 28 -1.786 7.162 -0.044 1.00 0.00 C ATOM 429 O LYS A 28 -2.251 7.613 -1.091 1.00 0.00 O ATOM 430 CB LYS A 28 -1.783 9.070 1.584 1.00 0.00 C ATOM 431 CG LYS A 28 -2.859 8.480 2.468 1.00 0.00 C ATOM 432 CD LYS A 28 -3.899 9.534 2.830 1.00 0.00 C ATOM 433 CE LYS A 28 -4.652 10.028 1.598 1.00 0.00 C ATOM 434 NZ LYS A 28 -5.600 11.126 1.921 1.00 0.00 N ATOM 0 H LYS A 28 -0.270 9.138 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.432 7.397 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.136 9.700 2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.254 9.718 0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.341 7.648 1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.410 8.078 3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.607 9.116 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.409 10.376 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.937 10.376 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.199 9.198 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.088 11.429 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.300 10.788 2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.076 11.930 2.323 1.00 0.00 H new ATOM 448 N VAL A 29 -1.995 5.914 0.364 1.00 0.00 N ATOM 449 CA VAL A 29 -2.770 4.968 -0.431 1.00 0.00 C ATOM 450 C VAL A 29 -4.099 4.654 0.250 1.00 0.00 C ATOM 451 O VAL A 29 -4.295 4.975 1.425 1.00 0.00 O ATOM 452 CB VAL A 29 -1.987 3.651 -0.681 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.550 3.966 -1.069 1.00 0.00 C ATOM 454 CG2 VAL A 29 -2.020 2.733 0.541 1.00 0.00 C ATOM 0 H VAL A 29 -1.638 5.534 1.241 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.961 5.439 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.473 3.122 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.008 3.036 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.542 4.566 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.069 4.522 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.461 1.822 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.569 3.244 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.053 2.478 0.777 1.00 0.00 H new ATOM 464 N ILE A 30 -5.017 4.044 -0.489 1.00 0.00 N ATOM 465 CA ILE A 30 -6.307 3.660 0.067 1.00 0.00 C ATOM 466 C ILE A 30 -6.366 2.155 0.285 1.00 0.00 C ATOM 467 O ILE A 30 -6.487 1.389 -0.671 1.00 0.00 O ATOM 468 CB ILE A 30 -7.480 4.077 -0.843 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.438 5.582 -1.112 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.815 3.679 -0.216 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.631 6.430 0.128 1.00 0.00 C ATOM 0 H ILE A 30 -4.892 3.805 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.406 4.182 1.019 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.381 3.554 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.480 5.834 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.212 5.834 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.630 3.982 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.844 2.598 -0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.925 4.173 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.589 7.485 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.601 6.208 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.842 6.208 0.847 1.00 0.00 H new ATOM 483 N VAL A 31 -6.267 1.737 1.536 1.00 0.00 N ATOM 484 CA VAL A 31 -6.349 0.326 1.880 1.00 0.00 C ATOM 485 C VAL A 31 -7.807 -0.100 1.980 1.00 0.00 C ATOM 486 O VAL A 31 -8.557 0.406 2.814 1.00 0.00 O ATOM 487 CB VAL A 31 -5.637 0.022 3.216 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.605 -1.478 3.488 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.232 0.604 3.215 1.00 0.00 C ATOM 0 H VAL A 31 -6.129 2.357 2.334 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.848 -0.235 1.091 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.202 0.494 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.098 -1.665 4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.624 -1.860 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.069 -1.982 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.745 0.380 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.657 0.165 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.286 1.684 3.081 1.00 0.00 H new ATOM 499 N MET A 32 -8.213 -1.014 1.115 1.00 0.00 N ATOM 500 CA MET A 32 -9.589 -1.473 1.089 1.00 0.00 C ATOM 501 C MET A 32 -9.735 -2.794 1.817 1.00 0.00 C ATOM 502 O MET A 32 -10.561 -2.923 2.717 1.00 0.00 O ATOM 503 CB MET A 32 -10.071 -1.604 -0.347 1.00 0.00 C ATOM 504 CG MET A 32 -10.336 -0.267 -1.012 1.00 0.00 C ATOM 505 SD MET A 32 -10.440 -0.414 -2.799 1.00 0.00 S ATOM 506 CE MET A 32 -8.818 -1.088 -3.137 1.00 0.00 C ATOM 0 H MET A 32 -7.608 -1.453 0.421 1.00 0.00 H new ATOM 0 HA MET A 32 -10.205 -0.735 1.603 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.325 -2.149 -0.926 1.00 0.00 H new ATOM 0 HB3 MET A 32 -10.984 -2.199 -0.364 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.266 0.151 -0.628 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.541 0.432 -0.751 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.348 -0.520 -3.940 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.203 -1.024 -2.239 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.913 -2.131 -3.438 1.00 0.00 H new ATOM 516 N GLU A 33 -8.929 -3.769 1.432 1.00 0.00 N ATOM 517 CA GLU A 33 -8.986 -5.077 2.049 1.00 0.00 C ATOM 518 C GLU A 33 -7.697 -5.364 2.802 1.00 0.00 C ATOM 519 O GLU A 33 -6.600 -5.309 2.237 1.00 0.00 O ATOM 520 CB GLU A 33 -9.261 -6.151 0.997 1.00 0.00 C ATOM 521 CG GLU A 33 -9.312 -7.559 1.563 1.00 0.00 C ATOM 522 CD GLU A 33 -9.968 -8.544 0.622 1.00 0.00 C ATOM 523 OE1 GLU A 33 -9.580 -8.600 -0.561 1.00 0.00 O ATOM 524 OE2 GLU A 33 -10.895 -9.258 1.059 1.00 0.00 O ATOM 0 H GLU A 33 -8.229 -3.677 0.696 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.806 -5.091 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.209 -5.932 0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.487 -6.104 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.299 -7.894 1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.857 -7.547 2.507 1.00 0.00 H new ATOM 531 N LYS A 34 -7.842 -5.653 4.082 1.00 0.00 N ATOM 532 CA LYS A 34 -6.706 -5.942 4.932 1.00 0.00 C ATOM 533 C LYS A 34 -6.659 -7.418 5.283 1.00 0.00 C ATOM 534 O LYS A 34 -7.602 -7.955 5.865 1.00 0.00 O ATOM 535 CB LYS A 34 -6.768 -5.130 6.227 1.00 0.00 C ATOM 536 CG LYS A 34 -6.637 -3.627 6.042 1.00 0.00 C ATOM 537 CD LYS A 34 -6.667 -2.902 7.380 1.00 0.00 C ATOM 538 CE LYS A 34 -5.569 -3.387 8.299 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.688 -2.819 9.667 1.00 0.00 N ATOM 0 H LYS A 34 -8.744 -5.693 4.557 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.808 -5.668 4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.714 -5.340 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.974 -5.471 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.705 -3.402 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.448 -3.264 5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.558 -1.830 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.635 -3.055 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.600 -4.475 8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.600 -3.117 7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.061 -3.338 10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.416 -1.815 9.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.671 -2.906 9.995 1.00 0.00 H new ATOM 553 N CYS A 35 -5.573 -8.071 4.924 1.00 0.00 N ATOM 554 CA CYS A 35 -5.325 -9.418 5.391 1.00 0.00 C ATOM 555 C CYS A 35 -4.716 -9.337 6.785 1.00 0.00 C ATOM 556 O CYS A 35 -3.991 -8.384 7.083 1.00 0.00 O ATOM 557 CB CYS A 35 -4.389 -10.152 4.430 1.00 0.00 C ATOM 558 SG CYS A 35 -4.985 -10.204 2.722 1.00 0.00 S ATOM 0 H CYS A 35 -4.850 -7.692 4.312 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.259 -9.978 5.431 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.412 -9.668 4.449 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.246 -11.172 4.786 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.216 -9.473 1.971 1.00 0.00 H new ATOM 564 N SER A 36 -5.022 -10.311 7.639 1.00 0.00 N ATOM 565 CA SER A 36 -4.528 -10.314 9.013 1.00 0.00 C ATOM 566 C SER A 36 -3.000 -10.276 9.058 1.00 0.00 C ATOM 567 O SER A 36 -2.405 -9.722 9.984 1.00 0.00 O ATOM 568 CB SER A 36 -5.073 -11.538 9.753 1.00 0.00 C ATOM 569 OG SER A 36 -5.269 -12.628 8.862 1.00 0.00 O ATOM 0 H SER A 36 -5.611 -11.110 7.403 1.00 0.00 H new ATOM 0 HA SER A 36 -4.884 -9.413 9.512 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.379 -11.829 10.542 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.017 -11.285 10.236 1.00 0.00 H new ATOM 0 HG SER A 36 -5.616 -13.398 9.359 1.00 0.00 H new ATOM 575 N ASP A 37 -2.374 -10.863 8.047 1.00 0.00 N ATOM 576 CA ASP A 37 -0.931 -10.786 7.882 1.00 0.00 C ATOM 577 C ASP A 37 -0.577 -10.966 6.417 1.00 0.00 C ATOM 578 O ASP A 37 -1.311 -11.616 5.672 1.00 0.00 O ATOM 579 CB ASP A 37 -0.209 -11.842 8.729 1.00 0.00 C ATOM 580 CG ASP A 37 -0.501 -13.264 8.293 1.00 0.00 C ATOM 581 OD1 ASP A 37 0.243 -13.795 7.442 1.00 0.00 O ATOM 582 OD2 ASP A 37 -1.465 -13.864 8.813 1.00 0.00 O ATOM 0 H ASP A 37 -2.849 -11.402 7.323 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.602 -9.805 8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.866 -11.667 8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.501 -11.722 9.772 1.00 0.00 H new ATOM 587 N GLY A 38 0.527 -10.368 6.001 1.00 0.00 N ATOM 588 CA GLY A 38 0.975 -10.530 4.637 1.00 0.00 C ATOM 589 C GLY A 38 0.697 -9.314 3.777 1.00 0.00 C ATOM 590 O GLY A 38 1.109 -8.199 4.112 1.00 0.00 O ATOM 0 H GLY A 38 1.119 -9.775 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.046 -10.734 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.483 -11.399 4.199 1.00 0.00 H new ATOM 594 N TRP A 39 -0.016 -9.529 2.680 1.00 0.00 N ATOM 595 CA TRP A 39 -0.260 -8.480 1.695 1.00 0.00 C ATOM 596 C TRP A 39 -1.575 -7.757 1.957 1.00 0.00 C ATOM 597 O TRP A 39 -2.561 -8.364 2.379 1.00 0.00 O ATOM 598 CB TRP A 39 -0.291 -9.075 0.284 1.00 0.00 C ATOM 599 CG TRP A 39 0.989 -9.735 -0.129 1.00 0.00 C ATOM 600 CD1 TRP A 39 1.392 -11.005 0.169 1.00 0.00 C ATOM 601 CD2 TRP A 39 2.024 -9.164 -0.934 1.00 0.00 C ATOM 602 NE1 TRP A 39 2.621 -11.253 -0.391 1.00 0.00 N ATOM 603 CE2 TRP A 39 3.030 -10.137 -1.074 1.00 0.00 C ATOM 604 CE3 TRP A 39 2.198 -7.920 -1.546 1.00 0.00 C ATOM 605 CZ2 TRP A 39 4.193 -9.905 -1.805 1.00 0.00 C ATOM 606 CZ3 TRP A 39 3.352 -7.689 -2.270 1.00 0.00 C ATOM 607 CH2 TRP A 39 4.337 -8.677 -2.394 1.00 0.00 C ATOM 0 H TRP A 39 -0.439 -10.427 2.447 1.00 0.00 H new ATOM 0 HA TRP A 39 0.555 -7.761 1.780 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -1.099 -9.805 0.227 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -0.525 -8.283 -0.428 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.827 -11.711 0.759 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.144 -12.125 -0.312 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.444 -7.152 -1.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.953 -10.666 -1.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.497 -6.731 -2.748 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.229 -8.466 -2.966 1.00 0.00 H new ATOM 618 N TRP A 40 -1.579 -6.459 1.702 1.00 0.00 N ATOM 619 CA TRP A 40 -2.792 -5.661 1.775 1.00 0.00 C ATOM 620 C TRP A 40 -3.187 -5.206 0.381 1.00 0.00 C ATOM 621 O TRP A 40 -2.323 -4.942 -0.457 1.00 0.00 O ATOM 622 CB TRP A 40 -2.590 -4.442 2.675 1.00 0.00 C ATOM 623 CG TRP A 40 -2.673 -4.745 4.140 1.00 0.00 C ATOM 624 CD1 TRP A 40 -2.973 -5.944 4.720 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.470 -3.820 5.211 1.00 0.00 C ATOM 626 NE1 TRP A 40 -2.972 -5.819 6.087 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.665 -4.523 6.413 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.139 -2.462 5.270 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.542 -3.912 7.658 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -2.017 -1.860 6.506 1.00 0.00 C ATOM 631 CH2 TRP A 40 -2.220 -2.582 7.685 1.00 0.00 C ATOM 0 H TRP A 40 -0.747 -5.931 1.440 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.585 -6.276 2.201 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.616 -4.002 2.460 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.341 -3.692 2.427 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.181 -6.857 4.182 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.168 -6.568 6.752 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.982 -1.895 4.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.695 -4.468 8.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.760 -0.813 6.563 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.121 -2.081 8.636 1.00 0.00 H new ATOM 642 N ARG A 41 -4.483 -5.127 0.121 1.00 0.00 N ATOM 643 CA ARG A 41 -4.952 -4.694 -1.184 1.00 0.00 C ATOM 644 C ARG A 41 -5.428 -3.253 -1.120 1.00 0.00 C ATOM 645 O ARG A 41 -6.458 -2.946 -0.508 1.00 0.00 O ATOM 646 CB ARG A 41 -6.073 -5.597 -1.698 1.00 0.00 C ATOM 647 CG ARG A 41 -5.927 -5.948 -3.172 1.00 0.00 C ATOM 648 CD ARG A 41 -7.191 -5.657 -3.963 1.00 0.00 C ATOM 649 NE ARG A 41 -8.350 -6.372 -3.436 1.00 0.00 N ATOM 650 CZ ARG A 41 -8.945 -7.382 -4.062 1.00 0.00 C ATOM 651 NH1 ARG A 41 -8.472 -7.826 -5.218 1.00 0.00 N ATOM 652 NH2 ARG A 41 -10.016 -7.950 -3.530 1.00 0.00 N ATOM 0 H ARG A 41 -5.220 -5.354 0.788 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.117 -4.763 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.089 -6.516 -1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.031 -5.102 -1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.097 -5.383 -3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.676 -7.004 -3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.389 -4.585 -3.946 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.037 -5.936 -5.005 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.725 -6.079 -2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.647 -7.392 -5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.933 -8.602 -5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.384 -7.612 -2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.473 -8.725 -4.010 1.00 0.00 H new ATOM 666 N GLY A 42 -4.669 -2.374 -1.749 1.00 0.00 N ATOM 667 CA GLY A 42 -4.991 -0.968 -1.729 1.00 0.00 C ATOM 668 C GLY A 42 -4.849 -0.330 -3.093 1.00 0.00 C ATOM 669 O GLY A 42 -4.233 -0.904 -3.991 1.00 0.00 O ATOM 0 H GLY A 42 -3.829 -2.612 -2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.013 -0.836 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.338 -0.457 -1.021 1.00 0.00 H new ATOM 673 N SER A 43 -5.424 0.849 -3.251 1.00 0.00 N ATOM 674 CA SER A 43 -5.344 1.573 -4.506 1.00 0.00 C ATOM 675 C SER A 43 -4.537 2.855 -4.334 1.00 0.00 C ATOM 676 O SER A 43 -4.581 3.499 -3.281 1.00 0.00 O ATOM 677 CB SER A 43 -6.748 1.866 -5.044 1.00 0.00 C ATOM 678 OG SER A 43 -6.755 2.968 -5.937 1.00 0.00 O ATOM 0 H SER A 43 -5.954 1.327 -2.522 1.00 0.00 H new ATOM 0 HA SER A 43 -4.828 0.951 -5.237 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.132 0.983 -5.555 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.420 2.070 -4.211 1.00 0.00 H new ATOM 0 HG SER A 43 -6.099 2.816 -6.649 1.00 0.00 H new ATOM 684 N TYR A 44 -3.788 3.202 -5.368 1.00 0.00 N ATOM 685 CA TYR A 44 -2.931 4.372 -5.351 1.00 0.00 C ATOM 686 C TYR A 44 -2.867 4.983 -6.744 1.00 0.00 C ATOM 687 O TYR A 44 -2.777 4.255 -7.737 1.00 0.00 O ATOM 688 CB TYR A 44 -1.533 3.979 -4.865 1.00 0.00 C ATOM 689 CG TYR A 44 -0.505 5.086 -4.926 1.00 0.00 C ATOM 690 CD1 TYR A 44 -0.492 6.102 -3.982 1.00 0.00 C ATOM 691 CD2 TYR A 44 0.460 5.104 -5.923 1.00 0.00 C ATOM 692 CE1 TYR A 44 0.459 7.101 -4.027 1.00 0.00 C ATOM 693 CE2 TYR A 44 1.412 6.102 -5.978 1.00 0.00 C ATOM 694 CZ TYR A 44 1.406 7.099 -5.029 1.00 0.00 C ATOM 695 OH TYR A 44 2.359 8.088 -5.070 1.00 0.00 O ATOM 0 H TYR A 44 -3.758 2.679 -6.243 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.340 5.115 -4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.607 3.628 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.178 3.140 -5.463 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.237 6.111 -3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.466 4.323 -6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.461 7.881 -3.280 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.157 6.101 -6.760 1.00 0.00 H new ATOM 0 HH TYR A 44 1.938 8.938 -5.317 1.00 0.00 H new ATOM 705 N ASN A 45 -2.946 6.312 -6.804 1.00 0.00 N ATOM 706 CA ASN A 45 -2.904 7.052 -8.066 1.00 0.00 C ATOM 707 C ASN A 45 -4.160 6.777 -8.878 1.00 0.00 C ATOM 708 O ASN A 45 -5.173 7.465 -8.738 1.00 0.00 O ATOM 709 CB ASN A 45 -1.637 6.708 -8.874 1.00 0.00 C ATOM 710 CG ASN A 45 -1.524 7.489 -10.175 1.00 0.00 C ATOM 711 OD1 ASN A 45 -1.965 7.032 -11.230 1.00 0.00 O ATOM 712 ND2 ASN A 45 -0.926 8.669 -10.111 1.00 0.00 N ATOM 0 H ASN A 45 -3.041 6.906 -5.980 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.866 8.117 -7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.758 6.907 -8.261 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.635 5.641 -9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.818 9.232 -10.954 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.573 9.014 -9.218 1.00 0.00 H new ATOM 719 N GLY A 46 -4.093 5.759 -9.703 1.00 0.00 N ATOM 720 CA GLY A 46 -5.242 5.340 -10.473 1.00 0.00 C ATOM 721 C GLY A 46 -5.297 3.839 -10.613 1.00 0.00 C ATOM 722 O GLY A 46 -6.143 3.299 -11.325 1.00 0.00 O ATOM 0 H GLY A 46 -3.252 5.203 -9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.153 5.695 -9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.205 5.797 -11.462 1.00 0.00 H new ATOM 726 N GLN A 47 -4.391 3.166 -9.923 1.00 0.00 N ATOM 727 CA GLN A 47 -4.291 1.723 -9.995 1.00 0.00 C ATOM 728 C GLN A 47 -4.596 1.115 -8.636 1.00 0.00 C ATOM 729 O GLN A 47 -4.764 1.832 -7.647 1.00 0.00 O ATOM 730 CB GLN A 47 -2.888 1.285 -10.449 1.00 0.00 C ATOM 731 CG GLN A 47 -2.464 1.832 -11.808 1.00 0.00 C ATOM 732 CD GLN A 47 -2.098 3.302 -11.765 1.00 0.00 C ATOM 733 OE1 GLN A 47 -1.608 3.806 -10.754 1.00 0.00 O ATOM 734 NE2 GLN A 47 -2.357 4.004 -12.853 1.00 0.00 N ATOM 0 H GLN A 47 -3.710 3.603 -9.302 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.017 1.371 -10.728 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.162 1.603 -9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.854 0.196 -10.483 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.610 1.261 -12.173 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.275 1.686 -12.522 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.763 3.548 -13.670 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.151 5.003 -12.877 1.00 0.00 H new ATOM 743 N VAL A 48 -4.671 -0.200 -8.596 1.00 0.00 N ATOM 744 CA VAL A 48 -4.908 -0.925 -7.367 1.00 0.00 C ATOM 745 C VAL A 48 -4.002 -2.146 -7.348 1.00 0.00 C ATOM 746 O VAL A 48 -3.433 -2.504 -8.380 1.00 0.00 O ATOM 747 CB VAL A 48 -6.383 -1.372 -7.262 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.618 -2.639 -8.073 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.796 -1.566 -5.811 1.00 0.00 C ATOM 0 H VAL A 48 -4.569 -0.796 -9.417 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.693 -0.274 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.007 -0.581 -7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.663 -2.938 -7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.380 -2.450 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.980 -3.437 -7.694 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.839 -1.880 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.168 -2.330 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.678 -0.627 -5.270 1.00 0.00 H new ATOM 759 N GLY A 49 -3.853 -2.772 -6.198 1.00 0.00 N ATOM 760 CA GLY A 49 -3.119 -4.009 -6.146 1.00 0.00 C ATOM 761 C GLY A 49 -2.633 -4.343 -4.755 1.00 0.00 C ATOM 762 O GLY A 49 -3.172 -3.846 -3.764 1.00 0.00 O ATOM 0 H GLY A 49 -4.225 -2.448 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.753 -4.818 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.264 -3.948 -6.820 1.00 0.00 H new ATOM 766 N TRP A 50 -1.616 -5.183 -4.681 1.00 0.00 N ATOM 767 CA TRP A 50 -1.123 -5.680 -3.408 1.00 0.00 C ATOM 768 C TRP A 50 0.175 -5.002 -3.019 1.00 0.00 C ATOM 769 O TRP A 50 1.080 -4.841 -3.840 1.00 0.00 O ATOM 770 CB TRP A 50 -0.914 -7.191 -3.479 1.00 0.00 C ATOM 771 CG TRP A 50 -2.155 -7.930 -3.872 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.575 -8.208 -5.142 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.140 -8.481 -2.991 1.00 0.00 C ATOM 774 NE1 TRP A 50 -3.765 -8.896 -5.102 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.133 -9.075 -3.794 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.281 -8.526 -1.601 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.247 -9.710 -3.250 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.386 -9.156 -1.062 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.358 -9.738 -1.886 1.00 0.00 C ATOM 0 H TRP A 50 -1.112 -5.538 -5.494 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.870 -5.452 -2.648 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.123 -7.411 -4.196 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.573 -7.552 -2.509 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -2.050 -7.929 -6.044 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.289 -9.221 -5.915 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.538 -8.076 -0.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -5.996 -10.164 -3.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.502 -9.201 0.011 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.213 -10.219 -1.435 1.00 0.00 H new ATOM 790 N PHE A 51 0.258 -4.605 -1.765 1.00 0.00 N ATOM 791 CA PHE A 51 1.475 -4.030 -1.230 1.00 0.00 C ATOM 792 C PHE A 51 1.787 -4.673 0.118 1.00 0.00 C ATOM 793 O PHE A 51 0.873 -5.124 0.819 1.00 0.00 O ATOM 794 CB PHE A 51 1.353 -2.501 -1.097 1.00 0.00 C ATOM 795 CG PHE A 51 0.323 -2.038 -0.101 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.627 -1.982 1.248 1.00 0.00 C ATOM 797 CD2 PHE A 51 -0.944 -1.651 -0.513 1.00 0.00 C ATOM 798 CE1 PHE A 51 -0.307 -1.557 2.165 1.00 0.00 C ATOM 799 CE2 PHE A 51 -1.882 -1.223 0.404 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.562 -1.179 1.744 1.00 0.00 C ATOM 0 H PHE A 51 -0.508 -4.671 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 51 2.295 -4.230 -1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.324 -2.096 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.108 -2.083 -2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.610 -2.276 1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.199 -1.685 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.055 -1.520 3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.865 -0.923 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.296 -0.848 2.464 1.00 0.00 H new ATOM 810 N PRO A 52 3.073 -4.759 0.482 1.00 0.00 N ATOM 811 CA PRO A 52 3.488 -5.287 1.780 1.00 0.00 C ATOM 812 C PRO A 52 3.069 -4.367 2.919 1.00 0.00 C ATOM 813 O PRO A 52 3.253 -3.149 2.853 1.00 0.00 O ATOM 814 CB PRO A 52 5.017 -5.366 1.681 1.00 0.00 C ATOM 815 CG PRO A 52 5.326 -5.221 0.228 1.00 0.00 C ATOM 816 CD PRO A 52 4.224 -4.374 -0.340 1.00 0.00 C ATOM 0 HA PRO A 52 3.027 -6.251 1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.490 -4.576 2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.388 -6.315 2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.298 -4.750 0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.365 -6.193 -0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.445 -3.310 -0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.056 -4.582 -1.397 1.00 0.00 H new ATOM 824 N SER A 53 2.520 -4.961 3.967 1.00 0.00 N ATOM 825 CA SER A 53 1.998 -4.213 5.105 1.00 0.00 C ATOM 826 C SER A 53 3.111 -3.494 5.876 1.00 0.00 C ATOM 827 O SER A 53 2.846 -2.602 6.681 1.00 0.00 O ATOM 828 CB SER A 53 1.240 -5.172 6.024 1.00 0.00 C ATOM 829 OG SER A 53 1.881 -6.440 6.064 1.00 0.00 O ATOM 0 H SER A 53 2.423 -5.973 4.055 1.00 0.00 H new ATOM 0 HA SER A 53 1.322 -3.443 4.733 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.186 -4.754 7.029 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.215 -5.288 5.672 1.00 0.00 H new ATOM 0 HG SER A 53 1.509 -7.017 5.364 1.00 0.00 H new ATOM 835 N ASN A 54 4.357 -3.870 5.603 1.00 0.00 N ATOM 836 CA ASN A 54 5.508 -3.298 6.301 1.00 0.00 C ATOM 837 C ASN A 54 5.851 -1.906 5.766 1.00 0.00 C ATOM 838 O ASN A 54 6.695 -1.211 6.329 1.00 0.00 O ATOM 839 CB ASN A 54 6.743 -4.198 6.152 1.00 0.00 C ATOM 840 CG ASN A 54 6.533 -5.615 6.651 1.00 0.00 C ATOM 841 OD1 ASN A 54 5.746 -5.869 7.562 1.00 0.00 O ATOM 842 ND2 ASN A 54 7.244 -6.555 6.047 1.00 0.00 N ATOM 0 H ASN A 54 4.598 -4.570 4.902 1.00 0.00 H new ATOM 0 HA ASN A 54 5.233 -3.221 7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.031 -4.232 5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.575 -3.751 6.697 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.149 -7.529 6.333 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.886 -6.305 5.295 1.00 0.00 H new ATOM 849 N TYR A 55 5.206 -1.502 4.676 1.00 0.00 N ATOM 850 CA TYR A 55 5.572 -0.260 3.996 1.00 0.00 C ATOM 851 C TYR A 55 4.497 0.821 4.115 1.00 0.00 C ATOM 852 O TYR A 55 4.548 1.821 3.397 1.00 0.00 O ATOM 853 CB TYR A 55 5.861 -0.531 2.514 1.00 0.00 C ATOM 854 CG TYR A 55 7.131 -1.314 2.257 1.00 0.00 C ATOM 855 CD1 TYR A 55 8.342 -0.662 2.073 1.00 0.00 C ATOM 856 CD2 TYR A 55 7.118 -2.700 2.191 1.00 0.00 C ATOM 857 CE1 TYR A 55 9.504 -1.368 1.830 1.00 0.00 C ATOM 858 CE2 TYR A 55 8.277 -3.414 1.949 1.00 0.00 C ATOM 859 CZ TYR A 55 9.465 -2.743 1.767 1.00 0.00 C ATOM 860 OH TYR A 55 10.619 -3.449 1.523 1.00 0.00 O ATOM 0 H TYR A 55 4.433 -2.010 4.246 1.00 0.00 H new ATOM 0 HA TYR A 55 6.468 0.114 4.492 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.020 -1.076 2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.924 0.422 1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.377 0.416 2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.187 -3.230 2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 55 10.438 -0.844 1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.250 -4.493 1.903 1.00 0.00 H new ATOM 0 HH TYR A 55 10.419 -4.408 1.511 1.00 0.00 H new ATOM 870 N VAL A 56 3.542 0.653 5.020 1.00 0.00 N ATOM 871 CA VAL A 56 2.481 1.645 5.160 1.00 0.00 C ATOM 872 C VAL A 56 2.271 2.097 6.602 1.00 0.00 C ATOM 873 O VAL A 56 2.801 1.515 7.549 1.00 0.00 O ATOM 874 CB VAL A 56 1.140 1.153 4.591 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.177 1.134 3.071 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.791 -0.221 5.134 1.00 0.00 C ATOM 0 H VAL A 56 3.478 -0.142 5.656 1.00 0.00 H new ATOM 0 HA VAL A 56 2.825 2.500 4.578 1.00 0.00 H new ATOM 0 HB VAL A 56 0.363 1.849 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.219 0.783 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.370 2.140 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.969 0.465 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.162 -0.546 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.570 -0.931 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.714 -0.174 6.220 1.00 0.00 H new ATOM 886 N THR A 57 1.490 3.155 6.731 1.00 0.00 N ATOM 887 CA THR A 57 1.159 3.755 8.006 1.00 0.00 C ATOM 888 C THR A 57 -0.336 4.047 8.056 1.00 0.00 C ATOM 889 O THR A 57 -0.817 4.913 7.333 1.00 0.00 O ATOM 890 CB THR A 57 1.929 5.074 8.191 1.00 0.00 C ATOM 891 OG1 THR A 57 3.337 4.846 8.070 1.00 0.00 O ATOM 892 CG2 THR A 57 1.619 5.706 9.532 1.00 0.00 C ATOM 0 H THR A 57 1.061 3.628 5.936 1.00 0.00 H new ATOM 0 HA THR A 57 1.434 3.062 8.801 1.00 0.00 H new ATOM 0 HB THR A 57 1.609 5.763 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.817 5.692 8.188 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.178 6.636 9.634 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.551 5.915 9.598 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.905 5.022 10.331 1.00 0.00 H new ATOM 900 N GLU A 58 -1.065 3.329 8.894 1.00 0.00 N ATOM 901 CA GLU A 58 -2.510 3.501 8.967 1.00 0.00 C ATOM 902 C GLU A 58 -2.866 4.882 9.517 1.00 0.00 C ATOM 903 O GLU A 58 -3.436 5.712 8.811 1.00 0.00 O ATOM 904 CB GLU A 58 -3.138 2.398 9.820 1.00 0.00 C ATOM 905 CG GLU A 58 -3.024 1.018 9.190 1.00 0.00 C ATOM 906 CD GLU A 58 -3.699 -0.062 10.011 1.00 0.00 C ATOM 907 OE1 GLU A 58 -3.046 -0.630 10.907 1.00 0.00 O ATOM 908 OE2 GLU A 58 -4.887 -0.351 9.760 1.00 0.00 O ATOM 0 H GLU A 58 -0.686 2.627 9.529 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.915 3.426 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.657 2.385 10.798 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.190 2.630 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.467 1.041 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.971 0.767 9.065 1.00 0.00 H new