USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 992 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 78 SER OG : rot -103:sc= 1.48 USER MOD Set 1.2: A 80 CYS SG : rot 95:sc= 0.224 USER MOD Set 2.1: A 16 GLN : amide:sc= -0.442 X(o=1.5,f=1.1) USER MOD Set 2.2: A 34 SER OG : rot -94:sc= 1.13 USER MOD Set 2.3: A 61 THR OG1 : rot 176:sc= 0.832 USER MOD Set 3.1: A 23 LYS NZ :NH3+ -175:sc= 1.95 (180deg=0.725) USER MOD Set 3.2: A 60 GLN : amide:sc= -2.59! C(o=-0.65!,f=-11!) USER MOD Set 4.1: A 8 CYS SG : rot 80:sc= 0.0615 USER MOD Set 4.2: A 15 SER OG : rot -161:sc= 0.459 USER MOD Set 5.1: A 11 ASN : amide:sc= 0.00788 K(o=2.7,f=-3.9!) USER MOD Set 5.2: A 12 SER OG : rot 82:sc= -0.597 USER MOD Set 5.3: A 13 CYS SG : rot -161:sc= 1.56 USER MOD Set 5.4: A 39 SER OG : rot -159:sc= 2.29 USER MOD Set 5.5: A 43 HIS : no HD1:sc= -0.591 K(o=2.7,f=-1.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.0511 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 137:sc= 1.21 (180deg=0.000974) USER MOD Single : A 3 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.15) USER MOD Single : A 5 MET CE :methyl -178:sc= -0.0923 (180deg=-0.0964) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 179:sc= -2.53 (180deg=-2.55) USER MOD Single : A 24 THR OG1 : rot 99:sc= 0.54 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 61:sc= 0.586 USER MOD Single : A 35 CYS SG : rot -36:sc= -0.747 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 169:sc= -0.551 (180deg=-0.963) USER MOD Single : A 50 MET CE :methyl 134:sc= -0.176 (180deg=-1.87!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.164 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.67) USER MOD Single : A 69 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.022) USER MOD Single : A 73 TYR OH : rot 73:sc= 0.343 USER MOD Single : A 82 CYS SG : rot -28:sc= 0.361 USER MOD Single : A 85 ASN : amide:sc= -0.0834 X(o=-0.083,f=-0.083) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 93 GLN : amide:sc= 0.667 K(o=0.67,f=-2.1) USER MOD Single : A 100 GLN : amide:sc= 1.17 K(o=1.2,f=-0.033) USER MOD Single : A 107 GLN : amide:sc= 0.507 K(o=0.51,f=-0.12) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 114 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 120 LYS NZ :NH3+ -179:sc= 2.47 (180deg=2.42) USER MOD Single : A 125 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 85:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.980 -0.613 1.411 1.00 0.00 N ATOM 2 CA MET A 1 1.899 0.162 0.518 1.00 0.00 C ATOM 3 C MET A 1 2.978 -0.774 -0.076 1.00 0.00 C ATOM 4 O MET A 1 3.042 -1.936 0.324 1.00 0.00 O ATOM 5 CB MET A 1 2.492 1.374 1.292 1.00 0.00 C ATOM 6 CG MET A 1 2.310 2.713 0.564 1.00 0.00 C ATOM 7 SD MET A 1 0.603 3.251 0.255 1.00 0.00 S ATOM 8 CE MET A 1 0.948 4.887 -0.457 1.00 0.00 C ATOM 0 H1 MET A 1 -0.003 -0.323 1.233 1.00 0.00 H new ATOM 0 H2 MET A 1 1.082 -1.629 1.216 1.00 0.00 H new ATOM 0 H3 MET A 1 1.222 -0.425 2.405 1.00 0.00 H new ATOM 0 HA MET A 1 1.345 0.571 -0.327 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.020 1.435 2.272 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.555 1.203 1.461 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.810 3.487 1.146 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.826 2.652 -0.394 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.009 5.378 -0.713 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.488 5.494 0.270 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.554 4.772 -1.355 1.00 0.00 H new ATOM 18 N LYS A 2 3.834 -0.326 -1.019 1.00 0.00 N ATOM 19 CA LYS A 2 4.930 -1.183 -1.515 1.00 0.00 C ATOM 20 C LYS A 2 5.893 -1.408 -0.364 1.00 0.00 C ATOM 21 O LYS A 2 6.153 -0.470 0.389 1.00 0.00 O ATOM 22 CB LYS A 2 5.630 -0.616 -2.773 1.00 0.00 C ATOM 23 CG LYS A 2 5.966 0.862 -2.700 1.00 0.00 C ATOM 24 CD LYS A 2 5.124 1.700 -3.675 1.00 0.00 C ATOM 25 CE LYS A 2 5.144 3.166 -3.228 1.00 0.00 C ATOM 26 NZ LYS A 2 4.377 4.064 -4.138 1.00 0.00 N ATOM 0 H LYS A 2 3.790 0.601 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 2 4.519 -2.135 -1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.550 -1.176 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.988 -0.786 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.804 1.220 -1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.024 1.003 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.521 1.610 -4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.099 1.329 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.731 3.239 -2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.177 3.509 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.814 4.731 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.038 4.593 -4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.743 3.495 -4.735 1.00 0.00 H new ATOM 40 N LYS A 3 6.382 -2.629 -0.191 1.00 0.00 N ATOM 41 CA LYS A 3 7.160 -2.981 0.991 1.00 0.00 C ATOM 42 C LYS A 3 8.607 -3.090 0.578 1.00 0.00 C ATOM 43 O LYS A 3 8.890 -3.647 -0.483 1.00 0.00 O ATOM 44 CB LYS A 3 6.668 -4.276 1.656 1.00 0.00 C ATOM 45 CG LYS A 3 5.144 -4.496 1.629 1.00 0.00 C ATOM 46 CD LYS A 3 4.704 -5.776 2.356 1.00 0.00 C ATOM 47 CE LYS A 3 5.134 -5.851 3.829 1.00 0.00 C ATOM 48 NZ LYS A 3 4.476 -6.976 4.547 1.00 0.00 N ATOM 0 H LYS A 3 6.254 -3.393 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 3 7.038 -2.202 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.149 -5.122 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.000 -4.280 2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.651 -3.638 2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.808 -4.541 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.618 -5.854 2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.112 -6.638 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.216 -5.969 3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.890 -4.912 4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.700 -6.919 5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.446 -6.916 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.821 -7.880 4.166 1.00 0.00 H new ATOM 62 N VAL A 4 9.490 -2.616 1.442 1.00 0.00 N ATOM 63 CA VAL A 4 10.917 -2.626 1.225 1.00 0.00 C ATOM 64 C VAL A 4 11.535 -3.476 2.319 1.00 0.00 C ATOM 65 O VAL A 4 11.026 -3.540 3.443 1.00 0.00 O ATOM 66 CB VAL A 4 11.501 -1.208 1.222 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.952 -1.217 0.716 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.672 -0.247 0.354 1.00 0.00 C ATOM 0 H VAL A 4 9.221 -2.204 2.335 1.00 0.00 H new ATOM 0 HA VAL A 4 11.143 -3.045 0.244 1.00 0.00 H new ATOM 0 HB VAL A 4 11.473 -0.855 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.346 -0.201 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.560 -1.846 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.981 -1.611 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.121 0.746 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.653 -0.610 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.654 -0.195 0.739 1.00 0.00 H new ATOM 78 N MET A 5 12.667 -4.076 2.001 1.00 0.00 N ATOM 79 CA MET A 5 13.448 -4.888 2.899 1.00 0.00 C ATOM 80 C MET A 5 14.885 -4.502 2.648 1.00 0.00 C ATOM 81 O MET A 5 15.279 -4.323 1.493 1.00 0.00 O ATOM 82 CB MET A 5 13.230 -6.359 2.563 1.00 0.00 C ATOM 83 CG MET A 5 14.026 -7.312 3.458 1.00 0.00 C ATOM 84 SD MET A 5 13.663 -7.198 5.225 1.00 0.00 S ATOM 85 CE MET A 5 12.189 -8.250 5.317 1.00 0.00 C ATOM 0 H MET A 5 13.079 -4.004 1.071 1.00 0.00 H new ATOM 0 HA MET A 5 13.172 -4.738 3.943 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.169 -6.591 2.652 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.508 -6.532 1.523 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.837 -8.334 3.130 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.089 -7.121 3.309 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.812 -8.260 6.340 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.420 -7.858 4.651 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.447 -9.265 5.016 1.00 0.00 H new ATOM 95 N PHE A 6 15.663 -4.440 3.714 1.00 0.00 N ATOM 96 CA PHE A 6 17.096 -4.251 3.647 1.00 0.00 C ATOM 97 C PHE A 6 17.710 -5.521 4.236 1.00 0.00 C ATOM 98 O PHE A 6 17.081 -6.145 5.088 1.00 0.00 O ATOM 99 CB PHE A 6 17.475 -2.958 4.380 1.00 0.00 C ATOM 100 CG PHE A 6 16.780 -1.741 3.806 1.00 0.00 C ATOM 101 CD1 PHE A 6 15.506 -1.399 4.274 1.00 0.00 C ATOM 102 CD2 PHE A 6 17.333 -1.023 2.731 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.741 -0.420 3.631 1.00 0.00 C ATOM 104 CE2 PHE A 6 16.598 0.011 2.123 1.00 0.00 C ATOM 105 CZ PHE A 6 15.300 0.313 2.569 1.00 0.00 C ATOM 0 H PHE A 6 15.307 -4.521 4.666 1.00 0.00 H new ATOM 0 HA PHE A 6 17.476 -4.119 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 6 17.220 -3.054 5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.554 -2.816 4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.108 -1.898 5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.322 -1.265 2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.727 -0.228 3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 6 17.033 0.575 1.311 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.735 1.104 2.099 1.00 0.00 H new ATOM 115 N VAL A 7 18.901 -5.950 3.823 1.00 0.00 N ATOM 116 CA VAL A 7 19.421 -7.264 4.213 1.00 0.00 C ATOM 117 C VAL A 7 20.865 -7.065 4.638 1.00 0.00 C ATOM 118 O VAL A 7 21.587 -6.316 3.982 1.00 0.00 O ATOM 119 CB VAL A 7 19.293 -8.274 3.050 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.506 -9.723 3.495 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.967 -8.159 2.267 1.00 0.00 C ATOM 0 H VAL A 7 19.524 -5.411 3.221 1.00 0.00 H new ATOM 0 HA VAL A 7 18.846 -7.682 5.039 1.00 0.00 H new ATOM 0 HB VAL A 7 20.099 -7.997 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.404 -10.386 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.504 -9.830 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.762 -9.986 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.951 -8.900 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.129 -8.336 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.883 -7.160 1.838 1.00 0.00 H new ATOM 131 N CYS A 8 21.286 -7.709 5.723 1.00 0.00 N ATOM 132 CA CYS A 8 22.653 -7.622 6.234 1.00 0.00 C ATOM 133 C CYS A 8 23.255 -9.023 6.407 1.00 0.00 C ATOM 134 O CYS A 8 22.529 -9.989 6.636 1.00 0.00 O ATOM 135 CB CYS A 8 22.627 -6.871 7.582 1.00 0.00 C ATOM 136 SG CYS A 8 24.155 -5.919 7.800 1.00 0.00 S ATOM 0 H CYS A 8 20.681 -8.313 6.279 1.00 0.00 H new ATOM 0 HA CYS A 8 23.277 -7.080 5.524 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.766 -6.203 7.618 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.513 -7.582 8.400 1.00 0.00 H new ATOM 0 HG CYS A 8 24.080 -4.816 7.116 1.00 0.00 H new ATOM 142 N LYS A 9 24.594 -9.105 6.388 1.00 0.00 N ATOM 143 CA LYS A 9 25.375 -10.307 6.724 1.00 0.00 C ATOM 144 C LYS A 9 26.563 -9.913 7.625 1.00 0.00 C ATOM 145 O LYS A 9 27.656 -10.464 7.531 1.00 0.00 O ATOM 146 CB LYS A 9 25.771 -11.032 5.419 1.00 0.00 C ATOM 147 CG LYS A 9 26.098 -12.519 5.650 1.00 0.00 C ATOM 148 CD LYS A 9 26.474 -13.227 4.341 1.00 0.00 C ATOM 149 CE LYS A 9 26.807 -14.702 4.625 1.00 0.00 C ATOM 150 NZ LYS A 9 27.193 -15.448 3.397 1.00 0.00 N ATOM 0 H LYS A 9 25.182 -8.312 6.130 1.00 0.00 H new ATOM 0 HA LYS A 9 24.788 -11.020 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.957 -10.949 4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.637 -10.536 4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.921 -12.605 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.237 -13.016 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.650 -13.161 3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.330 -12.733 3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.621 -14.754 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.943 -15.184 5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.407 -16.435 3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.408 -15.424 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.034 -15.007 2.973 1.00 0.00 H new ATOM 164 N ARG A 10 26.347 -8.893 8.461 1.00 0.00 N ATOM 165 CA ARG A 10 27.309 -8.244 9.362 1.00 0.00 C ATOM 166 C ARG A 10 26.496 -7.723 10.551 1.00 0.00 C ATOM 167 O ARG A 10 25.281 -7.933 10.592 1.00 0.00 O ATOM 168 CB ARG A 10 28.050 -7.119 8.588 1.00 0.00 C ATOM 169 CG ARG A 10 29.456 -7.568 8.154 1.00 0.00 C ATOM 170 CD ARG A 10 30.459 -7.559 9.324 1.00 0.00 C ATOM 171 NE ARG A 10 31.282 -8.781 9.376 1.00 0.00 N ATOM 172 CZ ARG A 10 32.483 -8.967 8.811 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.032 -8.040 8.031 1.00 0.00 N ATOM 174 NH2 ARG A 10 33.135 -10.108 9.026 1.00 0.00 N ATOM 0 H ARG A 10 25.424 -8.465 8.532 1.00 0.00 H new ATOM 0 HA ARG A 10 28.081 -8.922 9.727 1.00 0.00 H new ATOM 0 HB2 ARG A 10 27.469 -6.836 7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.128 -6.233 9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 10 29.401 -8.572 7.733 1.00 0.00 H new ATOM 0 HG3 ARG A 10 29.817 -6.910 7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.111 -6.690 9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 10 29.915 -7.452 10.263 1.00 0.00 H new ATOM 0 HE ARG A 10 30.897 -9.568 9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.538 -7.166 7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 10 33.947 -8.203 7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 10 32.720 -10.829 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 10 34.050 -10.261 8.601 1.00 0.00 H new ATOM 188 N ASN A 11 27.153 -7.062 11.510 1.00 0.00 N ATOM 189 CA ASN A 11 26.469 -6.337 12.585 1.00 0.00 C ATOM 190 C ASN A 11 25.384 -5.461 11.949 1.00 0.00 C ATOM 191 O ASN A 11 25.692 -4.675 11.053 1.00 0.00 O ATOM 192 CB ASN A 11 27.489 -5.500 13.393 1.00 0.00 C ATOM 193 CG ASN A 11 26.880 -4.722 14.565 1.00 0.00 C ATOM 194 OD1 ASN A 11 25.675 -4.712 14.784 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.708 -4.062 15.357 1.00 0.00 N ATOM 0 H ASN A 11 28.171 -7.015 11.563 1.00 0.00 H new ATOM 0 HA ASN A 11 26.001 -7.029 13.286 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.263 -6.164 13.777 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.978 -4.796 12.720 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.344 -3.541 16.155 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.711 -4.074 15.170 1.00 0.00 H new ATOM 202 N SER A 12 24.139 -5.645 12.401 1.00 0.00 N ATOM 203 CA SER A 12 22.876 -5.058 11.932 1.00 0.00 C ATOM 204 C SER A 12 22.914 -3.624 11.390 1.00 0.00 C ATOM 205 O SER A 12 22.089 -3.288 10.541 1.00 0.00 O ATOM 206 CB SER A 12 21.914 -5.110 13.125 1.00 0.00 C ATOM 207 OG SER A 12 21.944 -6.411 13.685 1.00 0.00 O ATOM 0 H SER A 12 23.972 -6.274 13.186 1.00 0.00 H new ATOM 0 HA SER A 12 22.576 -5.644 11.063 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.202 -4.371 13.873 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.902 -4.861 12.804 1.00 0.00 H new ATOM 0 HG SER A 12 22.715 -6.491 14.284 1.00 0.00 H new ATOM 213 N CYS A 13 23.828 -2.786 11.888 1.00 0.00 N ATOM 214 CA CYS A 13 23.901 -1.345 11.670 1.00 0.00 C ATOM 215 C CYS A 13 23.553 -0.896 10.253 1.00 0.00 C ATOM 216 O CYS A 13 22.587 -0.162 10.100 1.00 0.00 O ATOM 217 CB CYS A 13 25.300 -0.837 12.074 1.00 0.00 C ATOM 218 SG CYS A 13 25.811 -1.543 13.666 1.00 0.00 S ATOM 0 H CYS A 13 24.581 -3.120 12.490 1.00 0.00 H new ATOM 0 HA CYS A 13 23.132 -0.900 12.302 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.024 -1.104 11.304 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.291 0.251 12.140 1.00 0.00 H new ATOM 0 HG CYS A 13 26.770 -0.825 14.171 1.00 0.00 H new ATOM 224 N ARG A 14 24.283 -1.322 9.211 1.00 0.00 N ATOM 225 CA ARG A 14 24.103 -0.707 7.880 1.00 0.00 C ATOM 226 C ARG A 14 22.707 -0.918 7.306 1.00 0.00 C ATOM 227 O ARG A 14 22.080 0.046 6.881 1.00 0.00 O ATOM 228 CB ARG A 14 25.271 -1.030 6.916 1.00 0.00 C ATOM 229 CG ARG A 14 25.456 -2.485 6.449 1.00 0.00 C ATOM 230 CD ARG A 14 26.708 -2.592 5.558 1.00 0.00 C ATOM 231 NE ARG A 14 26.890 -3.953 5.004 1.00 0.00 N ATOM 232 CZ ARG A 14 27.989 -4.384 4.364 1.00 0.00 C ATOM 233 NH1 ARG A 14 29.004 -3.563 4.140 1.00 0.00 N ATOM 234 NH2 ARG A 14 28.064 -5.639 3.936 1.00 0.00 N ATOM 0 H ARG A 14 24.982 -2.064 9.255 1.00 0.00 H new ATOM 0 HA ARG A 14 24.159 0.373 8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.149 -0.410 6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.196 -0.717 7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.555 -3.144 7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.576 -2.814 5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.631 -1.876 4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.589 -2.318 6.139 1.00 0.00 H new ATOM 0 HE ARG A 14 26.121 -4.614 5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.955 -2.594 4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.835 -3.900 3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.285 -6.279 4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.900 -5.963 3.450 1.00 0.00 H new ATOM 248 N SER A 15 22.172 -2.130 7.358 1.00 0.00 N ATOM 249 CA SER A 15 20.919 -2.405 6.669 1.00 0.00 C ATOM 250 C SER A 15 19.712 -2.131 7.574 1.00 0.00 C ATOM 251 O SER A 15 18.671 -1.705 7.081 1.00 0.00 O ATOM 252 CB SER A 15 20.960 -3.807 6.059 1.00 0.00 C ATOM 253 OG SER A 15 22.309 -4.234 5.884 1.00 0.00 O ATOM 0 H SER A 15 22.575 -2.922 7.858 1.00 0.00 H new ATOM 0 HA SER A 15 20.793 -1.715 5.834 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.431 -4.507 6.706 1.00 0.00 H new ATOM 0 HB3 SER A 15 20.444 -3.808 5.099 1.00 0.00 H new ATOM 0 HG SER A 15 22.338 -4.968 5.235 1.00 0.00 H new ATOM 259 N GLN A 16 19.840 -2.260 8.897 1.00 0.00 N ATOM 260 CA GLN A 16 18.773 -1.824 9.794 1.00 0.00 C ATOM 261 C GLN A 16 18.733 -0.296 9.881 1.00 0.00 C ATOM 262 O GLN A 16 17.660 0.281 10.055 1.00 0.00 O ATOM 263 CB GLN A 16 18.886 -2.564 11.134 1.00 0.00 C ATOM 264 CG GLN A 16 17.685 -2.252 12.022 1.00 0.00 C ATOM 265 CD GLN A 16 17.602 -3.185 13.226 1.00 0.00 C ATOM 266 OE1 GLN A 16 18.359 -3.045 14.185 1.00 0.00 O ATOM 267 NE2 GLN A 16 16.693 -4.151 13.192 1.00 0.00 N ATOM 0 H GLN A 16 20.657 -2.656 9.362 1.00 0.00 H new ATOM 0 HA GLN A 16 17.795 -2.097 9.397 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.946 -3.638 10.959 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.806 -2.272 11.641 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.749 -1.220 12.368 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.770 -2.336 11.436 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.078 -4.244 12.384 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.609 -4.800 13.974 1.00 0.00 H new ATOM 276 N MET A 17 19.859 0.396 9.685 1.00 0.00 N ATOM 277 CA MET A 17 19.845 1.844 9.521 1.00 0.00 C ATOM 278 C MET A 17 19.094 2.172 8.253 1.00 0.00 C ATOM 279 O MET A 17 18.336 3.136 8.226 1.00 0.00 O ATOM 280 CB MET A 17 21.262 2.389 9.384 1.00 0.00 C ATOM 281 CG MET A 17 21.329 3.856 8.936 1.00 0.00 C ATOM 282 SD MET A 17 20.750 5.142 10.079 1.00 0.00 S ATOM 283 CE MET A 17 18.933 5.183 10.153 1.00 0.00 C ATOM 0 H MET A 17 20.787 -0.026 9.637 1.00 0.00 H new ATOM 0 HA MET A 17 19.372 2.292 10.395 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.772 2.289 10.342 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.808 1.776 8.667 1.00 0.00 H new ATOM 0 HG2 MET A 17 22.366 4.078 8.686 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.752 3.947 8.016 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.615 5.951 10.859 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.534 5.411 9.165 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.560 4.212 10.480 1.00 0.00 H new ATOM 293 N ALA A 18 19.303 1.398 7.195 1.00 0.00 N ATOM 294 CA ALA A 18 18.637 1.680 5.942 1.00 0.00 C ATOM 295 C ALA A 18 17.121 1.608 6.145 1.00 0.00 C ATOM 296 O ALA A 18 16.416 2.500 5.685 1.00 0.00 O ATOM 297 CB ALA A 18 19.189 0.740 4.874 1.00 0.00 C ATOM 0 H ALA A 18 19.919 0.585 7.184 1.00 0.00 H new ATOM 0 HA ALA A 18 18.835 2.692 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.696 0.941 3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.262 0.900 4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.004 -0.293 5.168 1.00 0.00 H new ATOM 303 N GLU A 19 16.634 0.662 6.955 1.00 0.00 N ATOM 304 CA GLU A 19 15.240 0.647 7.392 1.00 0.00 C ATOM 305 C GLU A 19 14.897 1.910 8.192 1.00 0.00 C ATOM 306 O GLU A 19 13.813 2.452 7.999 1.00 0.00 O ATOM 307 CB GLU A 19 14.969 -0.618 8.215 1.00 0.00 C ATOM 308 CG GLU A 19 13.567 -0.679 8.842 1.00 0.00 C ATOM 309 CD GLU A 19 13.367 -1.886 9.779 1.00 0.00 C ATOM 310 OE1 GLU A 19 14.364 -2.552 10.148 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.213 -2.124 10.200 1.00 0.00 O ATOM 0 H GLU A 19 17.193 -0.108 7.322 1.00 0.00 H new ATOM 0 HA GLU A 19 14.598 0.637 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.106 -1.490 7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.712 -0.686 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.387 0.239 9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.823 -0.719 8.047 1.00 0.00 H new ATOM 318 N GLY A 20 15.774 2.418 9.067 1.00 0.00 N ATOM 319 CA GLY A 20 15.467 3.589 9.880 1.00 0.00 C ATOM 320 C GLY A 20 15.328 4.853 9.046 1.00 0.00 C ATOM 321 O GLY A 20 14.369 5.607 9.210 1.00 0.00 O ATOM 0 H GLY A 20 16.704 2.031 9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.541 3.415 10.428 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.254 3.730 10.621 1.00 0.00 H new ATOM 325 N PHE A 21 16.246 5.078 8.104 1.00 0.00 N ATOM 326 CA PHE A 21 16.133 6.195 7.168 1.00 0.00 C ATOM 327 C PHE A 21 14.917 5.970 6.289 1.00 0.00 C ATOM 328 O PHE A 21 14.190 6.918 6.025 1.00 0.00 O ATOM 329 CB PHE A 21 17.399 6.357 6.308 1.00 0.00 C ATOM 330 CG PHE A 21 18.506 7.179 6.935 1.00 0.00 C ATOM 331 CD1 PHE A 21 18.287 8.525 7.293 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.779 6.621 7.113 1.00 0.00 C ATOM 333 CE1 PHE A 21 19.328 9.290 7.850 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.816 7.382 7.662 1.00 0.00 C ATOM 335 CZ PHE A 21 20.594 8.718 8.046 1.00 0.00 C ATOM 0 H PHE A 21 17.076 4.500 7.970 1.00 0.00 H new ATOM 0 HA PHE A 21 16.020 7.118 7.737 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.791 5.366 6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.118 6.818 5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.315 8.971 7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.961 5.596 6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.152 10.319 8.127 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.794 6.942 7.792 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.391 9.298 8.488 1.00 0.00 H new ATOM 345 N ALA A 22 14.657 4.741 5.852 1.00 0.00 N ATOM 346 CA ALA A 22 13.587 4.484 4.903 1.00 0.00 C ATOM 347 C ALA A 22 12.211 4.633 5.564 1.00 0.00 C ATOM 348 O ALA A 22 11.320 5.191 4.943 1.00 0.00 O ATOM 349 CB ALA A 22 13.827 3.123 4.234 1.00 0.00 C ATOM 0 H ALA A 22 15.174 3.911 6.142 1.00 0.00 H new ATOM 0 HA ALA A 22 13.592 5.232 4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.028 2.923 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.784 3.138 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.839 2.341 4.994 1.00 0.00 H new ATOM 355 N LYS A 23 12.027 4.232 6.826 1.00 0.00 N ATOM 356 CA LYS A 23 10.772 4.449 7.556 1.00 0.00 C ATOM 357 C LYS A 23 10.545 5.932 7.866 1.00 0.00 C ATOM 358 O LYS A 23 9.407 6.366 7.957 1.00 0.00 O ATOM 359 CB LYS A 23 10.699 3.542 8.807 1.00 0.00 C ATOM 360 CG LYS A 23 11.400 4.106 10.053 1.00 0.00 C ATOM 361 CD LYS A 23 11.366 3.148 11.247 1.00 0.00 C ATOM 362 CE LYS A 23 11.919 3.872 12.489 1.00 0.00 C ATOM 363 NZ LYS A 23 12.067 2.969 13.652 1.00 0.00 N ATOM 0 H LYS A 23 12.742 3.749 7.370 1.00 0.00 H new ATOM 0 HA LYS A 23 9.944 4.155 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.651 3.362 9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.141 2.576 8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.437 4.334 9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.926 5.046 10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.345 2.812 11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.961 2.260 11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.887 4.311 12.249 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.253 4.693 12.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.361 3.520 14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.158 2.504 13.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.786 2.248 13.442 1.00 0.00 H new ATOM 377 N THR A 24 11.627 6.695 8.008 1.00 0.00 N ATOM 378 CA THR A 24 11.632 8.128 8.256 1.00 0.00 C ATOM 379 C THR A 24 11.268 8.893 6.975 1.00 0.00 C ATOM 380 O THR A 24 10.369 9.733 6.970 1.00 0.00 O ATOM 381 CB THR A 24 13.057 8.437 8.761 1.00 0.00 C ATOM 382 OG1 THR A 24 13.173 8.056 10.117 1.00 0.00 O ATOM 383 CG2 THR A 24 13.552 9.865 8.573 1.00 0.00 C ATOM 0 H THR A 24 12.569 6.307 7.950 1.00 0.00 H new ATOM 0 HA THR A 24 10.890 8.440 8.991 1.00 0.00 H new ATOM 0 HB THR A 24 13.709 7.846 8.118 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.601 7.176 10.174 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.564 9.954 8.968 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.553 10.113 7.512 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.893 10.551 9.105 1.00 0.00 H new ATOM 391 N LEU A 25 11.967 8.585 5.881 1.00 0.00 N ATOM 392 CA LEU A 25 11.931 9.338 4.633 1.00 0.00 C ATOM 393 C LEU A 25 10.813 8.853 3.699 1.00 0.00 C ATOM 394 O LEU A 25 10.311 9.630 2.889 1.00 0.00 O ATOM 395 CB LEU A 25 13.290 9.185 3.928 1.00 0.00 C ATOM 396 CG LEU A 25 14.474 9.921 4.565 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.767 9.533 3.835 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.311 11.443 4.517 1.00 0.00 C ATOM 0 H LEU A 25 12.592 7.780 5.841 1.00 0.00 H new ATOM 0 HA LEU A 25 11.729 10.383 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.533 8.123 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.183 9.534 2.901 1.00 0.00 H new ATOM 0 HG LEU A 25 14.515 9.625 5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.610 10.055 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.921 8.457 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.689 9.811 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.176 11.916 4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.232 11.768 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.408 11.729 5.056 1.00 0.00 H new ATOM 410 N GLY A 26 10.419 7.584 3.829 1.00 0.00 N ATOM 411 CA GLY A 26 9.391 6.901 3.044 1.00 0.00 C ATOM 412 C GLY A 26 8.090 6.750 3.836 1.00 0.00 C ATOM 413 O GLY A 26 7.257 5.905 3.506 1.00 0.00 O ATOM 0 H GLY A 26 10.836 6.969 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.198 7.461 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.753 5.917 2.746 1.00 0.00 H new ATOM 417 N ALA A 27 7.937 7.524 4.913 1.00 0.00 N ATOM 418 CA ALA A 27 6.845 7.416 5.867 1.00 0.00 C ATOM 419 C ALA A 27 5.510 7.621 5.156 1.00 0.00 C ATOM 420 O ALA A 27 5.279 8.666 4.541 1.00 0.00 O ATOM 421 CB ALA A 27 7.052 8.442 6.989 1.00 0.00 C ATOM 0 H ALA A 27 8.596 8.267 5.148 1.00 0.00 H new ATOM 0 HA ALA A 27 6.832 6.420 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.236 8.365 7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.998 8.244 7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.069 9.446 6.565 1.00 0.00 H new ATOM 427 N GLY A 28 4.639 6.611 5.231 1.00 0.00 N ATOM 428 CA GLY A 28 3.313 6.658 4.620 1.00 0.00 C ATOM 429 C GLY A 28 3.336 6.477 3.105 1.00 0.00 C ATOM 430 O GLY A 28 2.319 6.706 2.452 1.00 0.00 O ATOM 0 H GLY A 28 4.836 5.737 5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.690 5.880 5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.846 7.614 4.857 1.00 0.00 H new ATOM 434 N LYS A 29 4.477 6.071 2.536 1.00 0.00 N ATOM 435 CA LYS A 29 4.695 5.914 1.107 1.00 0.00 C ATOM 436 C LYS A 29 5.228 4.531 0.800 1.00 0.00 C ATOM 437 O LYS A 29 4.967 4.007 -0.274 1.00 0.00 O ATOM 438 CB LYS A 29 5.694 6.959 0.623 1.00 0.00 C ATOM 439 CG LYS A 29 5.184 8.396 0.790 1.00 0.00 C ATOM 440 CD LYS A 29 4.031 8.757 -0.162 1.00 0.00 C ATOM 441 CE LYS A 29 3.646 10.234 0.030 1.00 0.00 C ATOM 442 NZ LYS A 29 2.545 10.658 -0.879 1.00 0.00 N ATOM 0 H LYS A 29 5.302 5.835 3.087 1.00 0.00 H new ATOM 0 HA LYS A 29 3.743 6.048 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.628 6.844 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.920 6.779 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.852 8.537 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.010 9.087 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.330 8.580 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.170 8.118 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.342 10.396 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.520 10.860 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.323 11.660 -0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.842 10.530 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.700 10.080 -0.694 1.00 0.00 H new ATOM 456 N ILE A 30 5.914 3.908 1.750 1.00 0.00 N ATOM 457 CA ILE A 30 6.357 2.532 1.674 1.00 0.00 C ATOM 458 C ILE A 30 6.205 1.894 3.050 1.00 0.00 C ATOM 459 O ILE A 30 6.118 2.585 4.067 1.00 0.00 O ATOM 460 CB ILE A 30 7.836 2.456 1.229 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.776 3.353 2.061 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.978 2.786 -0.259 1.00 0.00 C ATOM 463 CD1 ILE A 30 10.221 2.837 2.097 1.00 0.00 C ATOM 0 H ILE A 30 6.183 4.366 2.621 1.00 0.00 H new ATOM 0 HA ILE A 30 5.751 2.001 0.940 1.00 0.00 H new ATOM 0 HB ILE A 30 8.146 1.426 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.766 4.362 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.395 3.422 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.028 2.725 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.399 2.073 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.608 3.794 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.833 3.510 2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.240 1.840 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.617 2.794 1.083 1.00 0.00 H new ATOM 475 N ALA A 31 6.193 0.566 3.054 1.00 0.00 N ATOM 476 CA ALA A 31 6.320 -0.223 4.279 1.00 0.00 C ATOM 477 C ALA A 31 7.795 -0.618 4.302 1.00 0.00 C ATOM 478 O ALA A 31 8.376 -0.833 3.239 1.00 0.00 O ATOM 479 CB ALA A 31 5.381 -1.431 4.254 1.00 0.00 C ATOM 0 H ALA A 31 6.095 0.003 2.209 1.00 0.00 H new ATOM 0 HA ALA A 31 6.035 0.323 5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.496 -2.000 5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.350 -1.089 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.627 -2.066 3.403 1.00 0.00 H new ATOM 485 N VAL A 32 8.422 -0.690 5.469 1.00 0.00 N ATOM 486 CA VAL A 32 9.867 -0.816 5.571 1.00 0.00 C ATOM 487 C VAL A 32 10.265 -1.878 6.615 1.00 0.00 C ATOM 488 O VAL A 32 9.621 -1.981 7.662 1.00 0.00 O ATOM 489 CB VAL A 32 10.415 0.585 5.930 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.865 0.712 5.510 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.638 1.781 5.342 1.00 0.00 C ATOM 0 H VAL A 32 7.943 -0.663 6.369 1.00 0.00 H new ATOM 0 HA VAL A 32 10.295 -1.157 4.628 1.00 0.00 H new ATOM 0 HB VAL A 32 10.295 0.642 7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.234 1.704 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.460 -0.043 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.946 0.566 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.109 2.712 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.647 1.721 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.608 1.757 5.699 1.00 0.00 H new ATOM 501 N THR A 33 11.331 -2.642 6.332 1.00 0.00 N ATOM 502 CA THR A 33 11.771 -3.779 7.156 1.00 0.00 C ATOM 503 C THR A 33 13.279 -4.035 6.945 1.00 0.00 C ATOM 504 O THR A 33 13.794 -3.636 5.904 1.00 0.00 O ATOM 505 CB THR A 33 10.950 -5.033 6.774 1.00 0.00 C ATOM 506 OG1 THR A 33 9.893 -4.774 5.858 1.00 0.00 O ATOM 507 CG2 THR A 33 10.325 -5.687 8.007 1.00 0.00 C ATOM 0 H THR A 33 11.920 -2.486 5.514 1.00 0.00 H new ATOM 0 HA THR A 33 11.607 -3.551 8.209 1.00 0.00 H new ATOM 0 HB THR A 33 11.675 -5.692 6.296 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.263 -4.420 5.023 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.755 -6.565 7.704 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.112 -5.987 8.698 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.661 -4.976 8.499 1.00 0.00 H new ATOM 515 N SER A 34 14.005 -4.717 7.843 1.00 0.00 N ATOM 516 CA SER A 34 15.386 -5.172 7.578 1.00 0.00 C ATOM 517 C SER A 34 15.573 -6.604 8.080 1.00 0.00 C ATOM 518 O SER A 34 14.775 -7.059 8.898 1.00 0.00 O ATOM 519 CB SER A 34 16.431 -4.213 8.162 1.00 0.00 C ATOM 520 OG SER A 34 16.318 -4.103 9.566 1.00 0.00 O ATOM 0 H SER A 34 13.658 -4.969 8.768 1.00 0.00 H new ATOM 0 HA SER A 34 15.545 -5.168 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.430 -4.564 7.905 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.313 -3.228 7.710 1.00 0.00 H new ATOM 0 HG SER A 34 15.757 -3.331 9.790 1.00 0.00 H new ATOM 526 N CYS A 35 16.609 -7.331 7.644 1.00 0.00 N ATOM 527 CA CYS A 35 16.794 -8.717 8.056 1.00 0.00 C ATOM 528 C CYS A 35 18.271 -9.102 8.056 1.00 0.00 C ATOM 529 O CYS A 35 19.111 -8.396 7.495 1.00 0.00 O ATOM 530 CB CYS A 35 15.948 -9.620 7.147 1.00 0.00 C ATOM 531 SG CYS A 35 16.362 -9.428 5.393 1.00 0.00 S ATOM 0 H CYS A 35 17.326 -6.980 7.009 1.00 0.00 H new ATOM 0 HA CYS A 35 16.454 -8.847 9.083 1.00 0.00 H new ATOM 0 HB2 CYS A 35 16.092 -10.660 7.439 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.893 -9.391 7.295 1.00 0.00 H new ATOM 0 HG CYS A 35 16.660 -8.186 5.151 1.00 0.00 H new ATOM 537 N GLY A 36 18.581 -10.229 8.695 1.00 0.00 N ATOM 538 CA GLY A 36 19.940 -10.692 8.937 1.00 0.00 C ATOM 539 C GLY A 36 20.152 -10.563 10.433 1.00 0.00 C ATOM 540 O GLY A 36 19.831 -11.497 11.169 1.00 0.00 O ATOM 0 H GLY A 36 17.872 -10.860 9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 36 20.067 -11.724 8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.663 -10.092 8.385 1.00 0.00 H new ATOM 544 N LEU A 37 20.561 -9.362 10.882 1.00 0.00 N ATOM 545 CA LEU A 37 20.844 -9.061 12.270 1.00 0.00 C ATOM 546 C LEU A 37 21.812 -10.112 12.798 1.00 0.00 C ATOM 547 O LEU A 37 21.514 -10.859 13.730 1.00 0.00 O ATOM 548 CB LEU A 37 19.570 -8.816 13.112 1.00 0.00 C ATOM 549 CG LEU A 37 18.979 -7.393 12.929 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.663 -7.347 12.127 1.00 0.00 C ATOM 551 CD2 LEU A 37 18.802 -6.729 14.302 1.00 0.00 C ATOM 0 H LEU A 37 20.703 -8.564 10.263 1.00 0.00 H new ATOM 0 HA LEU A 37 21.344 -8.097 12.358 1.00 0.00 H new ATOM 0 HB2 LEU A 37 18.815 -9.553 12.839 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.803 -8.973 14.165 1.00 0.00 H new ATOM 0 HG LEU A 37 19.698 -6.837 12.327 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.321 -6.315 12.048 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.831 -7.751 11.129 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.905 -7.942 12.637 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.387 -5.730 14.172 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.124 -7.327 14.911 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.769 -6.658 14.799 1.00 0.00 H new ATOM 563 N GLU A 38 22.984 -10.194 12.148 1.00 0.00 N ATOM 564 CA GLU A 38 23.996 -11.179 12.515 1.00 0.00 C ATOM 565 C GLU A 38 24.563 -10.900 13.909 1.00 0.00 C ATOM 566 O GLU A 38 25.181 -11.785 14.504 1.00 0.00 O ATOM 567 CB GLU A 38 25.127 -11.269 11.487 1.00 0.00 C ATOM 568 CG GLU A 38 24.640 -11.756 10.118 1.00 0.00 C ATOM 569 CD GLU A 38 24.045 -13.176 10.170 1.00 0.00 C ATOM 570 OE1 GLU A 38 24.789 -14.138 10.481 1.00 0.00 O ATOM 571 OE2 GLU A 38 22.835 -13.342 9.888 1.00 0.00 O ATOM 0 H GLU A 38 23.247 -9.590 11.370 1.00 0.00 H new ATOM 0 HA GLU A 38 23.493 -12.146 12.530 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.591 -10.289 11.376 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.897 -11.946 11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.888 -11.065 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 38 25.472 -11.741 9.414 1.00 0.00 H new ATOM 578 N SER A 39 24.313 -9.701 14.454 1.00 0.00 N ATOM 579 CA SER A 39 24.615 -9.395 15.858 1.00 0.00 C ATOM 580 C SER A 39 23.518 -9.908 16.816 1.00 0.00 C ATOM 581 O SER A 39 23.403 -9.472 17.964 1.00 0.00 O ATOM 582 CB SER A 39 24.970 -7.912 16.001 1.00 0.00 C ATOM 583 OG SER A 39 24.241 -7.101 15.097 1.00 0.00 O ATOM 0 H SER A 39 23.900 -8.923 13.939 1.00 0.00 H new ATOM 0 HA SER A 39 25.500 -9.948 16.172 1.00 0.00 H new ATOM 0 HB2 SER A 39 24.768 -7.588 17.022 1.00 0.00 H new ATOM 0 HB3 SER A 39 26.038 -7.777 15.829 1.00 0.00 H new ATOM 0 HG SER A 39 24.706 -6.247 14.976 1.00 0.00 H new ATOM 589 N SER A 40 22.728 -10.864 16.328 1.00 0.00 N ATOM 590 CA SER A 40 21.634 -11.608 16.947 1.00 0.00 C ATOM 591 C SER A 40 20.402 -10.759 17.293 1.00 0.00 C ATOM 592 O SER A 40 19.275 -11.218 17.102 1.00 0.00 O ATOM 593 CB SER A 40 22.143 -12.422 18.148 1.00 0.00 C ATOM 594 OG SER A 40 23.268 -13.219 17.785 1.00 0.00 O ATOM 0 H SER A 40 22.859 -11.173 15.365 1.00 0.00 H new ATOM 0 HA SER A 40 21.272 -12.302 16.188 1.00 0.00 H new ATOM 0 HB2 SER A 40 22.417 -11.747 18.959 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.345 -13.063 18.522 1.00 0.00 H new ATOM 0 HG SER A 40 23.575 -13.726 18.565 1.00 0.00 H new ATOM 600 N ARG A 41 20.582 -9.525 17.770 1.00 0.00 N ATOM 601 CA ARG A 41 19.522 -8.581 18.126 1.00 0.00 C ATOM 602 C ARG A 41 19.989 -7.174 17.745 1.00 0.00 C ATOM 603 O ARG A 41 21.083 -6.990 17.207 1.00 0.00 O ATOM 604 CB ARG A 41 19.190 -8.665 19.638 1.00 0.00 C ATOM 605 CG ARG A 41 18.528 -9.979 20.085 1.00 0.00 C ATOM 606 CD ARG A 41 19.530 -10.976 20.681 1.00 0.00 C ATOM 607 NE ARG A 41 18.900 -12.285 20.935 1.00 0.00 N ATOM 608 CZ ARG A 41 19.465 -13.328 21.561 1.00 0.00 C ATOM 609 NH1 ARG A 41 20.706 -13.242 22.040 1.00 0.00 N ATOM 610 NH2 ARG A 41 18.782 -14.459 21.703 1.00 0.00 N ATOM 0 H ARG A 41 21.514 -9.140 17.925 1.00 0.00 H new ATOM 0 HA ARG A 41 18.609 -8.827 17.585 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.111 -8.528 20.205 1.00 0.00 H new ATOM 0 HB3 ARG A 41 18.530 -7.837 19.897 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.757 -9.759 20.824 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.029 -10.438 19.231 1.00 0.00 H new ATOM 0 HD2 ARG A 41 20.371 -11.101 19.999 1.00 0.00 H new ATOM 0 HD3 ARG A 41 19.932 -10.577 21.612 1.00 0.00 H new ATOM 0 HE ARG A 41 17.944 -12.409 20.603 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.235 -12.377 21.932 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.126 -14.041 22.514 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.833 -14.531 21.337 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.207 -15.255 22.178 1.00 0.00 H new ATOM 624 N VAL A 42 19.137 -6.188 18.027 1.00 0.00 N ATOM 625 CA VAL A 42 19.443 -4.767 17.956 1.00 0.00 C ATOM 626 C VAL A 42 20.763 -4.471 18.673 1.00 0.00 C ATOM 627 O VAL A 42 21.134 -5.122 19.653 1.00 0.00 O ATOM 628 CB VAL A 42 18.242 -3.995 18.536 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.559 -2.549 18.930 1.00 0.00 C ATOM 630 CG2 VAL A 42 17.057 -3.999 17.555 1.00 0.00 C ATOM 0 H VAL A 42 18.178 -6.369 18.322 1.00 0.00 H new ATOM 0 HA VAL A 42 19.590 -4.442 16.926 1.00 0.00 H new ATOM 0 HB VAL A 42 17.981 -4.527 19.451 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.662 -2.076 19.329 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.341 -2.542 19.689 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.900 -1.999 18.053 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.223 -3.447 17.989 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.357 -3.526 16.620 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.750 -5.026 17.360 1.00 0.00 H new ATOM 640 N HIS A 43 21.426 -3.424 18.181 1.00 0.00 N ATOM 641 CA HIS A 43 22.756 -3.012 18.580 1.00 0.00 C ATOM 642 C HIS A 43 22.688 -1.527 18.967 1.00 0.00 C ATOM 643 O HIS A 43 22.405 -0.692 18.105 1.00 0.00 O ATOM 644 CB HIS A 43 23.678 -3.315 17.398 1.00 0.00 C ATOM 645 CG HIS A 43 25.122 -2.998 17.687 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.952 -3.666 18.561 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.848 -1.979 17.139 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.151 -3.059 18.539 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.139 -2.031 17.670 1.00 0.00 N ATOM 0 H HIS A 43 21.026 -2.819 17.463 1.00 0.00 H new ATOM 0 HA HIS A 43 23.148 -3.540 19.449 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.588 -4.369 17.134 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.351 -2.740 16.532 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.487 -1.258 16.420 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.003 -3.354 19.134 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.918 -1.413 17.444 1.00 0.00 H new ATOM 657 N PRO A 44 22.933 -1.161 20.238 1.00 0.00 N ATOM 658 CA PRO A 44 22.668 0.180 20.755 1.00 0.00 C ATOM 659 C PRO A 44 23.599 1.241 20.181 1.00 0.00 C ATOM 660 O PRO A 44 23.193 2.402 20.136 1.00 0.00 O ATOM 661 CB PRO A 44 22.845 0.078 22.273 1.00 0.00 C ATOM 662 CG PRO A 44 23.935 -0.982 22.367 1.00 0.00 C ATOM 663 CD PRO A 44 23.461 -1.985 21.313 1.00 0.00 C ATOM 0 HA PRO A 44 21.666 0.498 20.467 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.151 1.025 22.717 1.00 0.00 H new ATOM 0 HB3 PRO A 44 21.928 -0.228 22.776 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.922 -0.580 22.139 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.994 -1.426 23.361 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.281 -2.613 20.965 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.697 -2.651 21.714 1.00 0.00 H new ATOM 671 N THR A 45 24.809 0.891 19.719 1.00 0.00 N ATOM 672 CA THR A 45 25.655 1.913 19.119 1.00 0.00 C ATOM 673 C THR A 45 24.953 2.452 17.880 1.00 0.00 C ATOM 674 O THR A 45 24.937 3.658 17.679 1.00 0.00 O ATOM 675 CB THR A 45 27.077 1.421 18.785 1.00 0.00 C ATOM 676 OG1 THR A 45 27.649 0.864 19.959 1.00 0.00 O ATOM 677 CG2 THR A 45 27.969 2.563 18.243 1.00 0.00 C ATOM 0 H THR A 45 25.204 -0.049 19.749 1.00 0.00 H new ATOM 0 HA THR A 45 25.797 2.706 19.854 1.00 0.00 H new ATOM 0 HB THR A 45 27.013 0.668 18.000 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.554 0.545 19.762 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.963 2.174 18.020 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.526 2.970 17.334 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.047 3.350 18.993 1.00 0.00 H new ATOM 685 N ALA A 46 24.295 1.590 17.086 1.00 0.00 N ATOM 686 CA ALA A 46 23.607 2.067 15.897 1.00 0.00 C ATOM 687 C ALA A 46 22.504 3.035 16.318 1.00 0.00 C ATOM 688 O ALA A 46 22.389 4.100 15.734 1.00 0.00 O ATOM 689 CB ALA A 46 23.093 0.897 15.040 1.00 0.00 C ATOM 0 H ALA A 46 24.231 0.585 17.248 1.00 0.00 H new ATOM 0 HA ALA A 46 24.303 2.609 15.257 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.584 1.288 14.159 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.934 0.278 14.728 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.397 0.296 15.625 1.00 0.00 H new ATOM 695 N ILE A 47 21.766 2.726 17.385 1.00 0.00 N ATOM 696 CA ILE A 47 20.727 3.616 17.904 1.00 0.00 C ATOM 697 C ILE A 47 21.342 4.964 18.261 1.00 0.00 C ATOM 698 O ILE A 47 20.815 5.980 17.817 1.00 0.00 O ATOM 699 CB ILE A 47 19.994 2.989 19.102 1.00 0.00 C ATOM 700 CG1 ILE A 47 18.909 1.994 18.664 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.300 4.025 20.016 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.403 0.678 18.075 1.00 0.00 C ATOM 0 H ILE A 47 21.870 1.858 17.911 1.00 0.00 H new ATOM 0 HA ILE A 47 19.977 3.771 17.129 1.00 0.00 H new ATOM 0 HB ILE A 47 20.788 2.486 19.655 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.281 1.769 19.526 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.273 2.483 17.926 1.00 0.00 H new ATOM 0 HG21 ILE A 47 18.804 3.510 20.839 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.044 4.714 20.415 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.562 4.582 19.439 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.549 0.058 17.803 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.003 0.879 17.187 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.011 0.155 18.813 1.00 0.00 H new ATOM 714 N ALA A 48 22.452 4.995 19.004 1.00 0.00 N ATOM 715 CA ALA A 48 23.096 6.252 19.364 1.00 0.00 C ATOM 716 C ALA A 48 23.469 7.041 18.115 1.00 0.00 C ATOM 717 O ALA A 48 23.253 8.248 18.038 1.00 0.00 O ATOM 718 CB ALA A 48 24.371 6.004 20.159 1.00 0.00 C ATOM 0 H ALA A 48 22.919 4.163 19.365 1.00 0.00 H new ATOM 0 HA ALA A 48 22.385 6.815 19.969 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.832 6.958 20.415 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.130 5.461 21.073 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.065 5.415 19.559 1.00 0.00 H new ATOM 724 N MET A 49 24.017 6.344 17.130 1.00 0.00 N ATOM 725 CA MET A 49 24.512 6.942 15.907 1.00 0.00 C ATOM 726 C MET A 49 23.364 7.499 15.080 1.00 0.00 C ATOM 727 O MET A 49 23.593 8.359 14.234 1.00 0.00 O ATOM 728 CB MET A 49 25.322 5.921 15.123 1.00 0.00 C ATOM 729 CG MET A 49 26.577 5.450 15.873 1.00 0.00 C ATOM 730 SD MET A 49 27.028 6.125 17.497 1.00 0.00 S ATOM 731 CE MET A 49 27.926 7.582 16.952 1.00 0.00 C ATOM 0 H MET A 49 24.130 5.331 17.163 1.00 0.00 H new ATOM 0 HA MET A 49 25.168 7.776 16.157 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.693 5.059 14.901 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.617 6.355 14.168 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.486 4.371 15.994 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.425 5.626 15.211 1.00 0.00 H new ATOM 0 HE1 MET A 49 28.116 8.233 17.806 1.00 0.00 H new ATOM 0 HE2 MET A 49 28.874 7.280 16.507 1.00 0.00 H new ATOM 0 HE3 MET A 49 27.333 8.119 16.212 1.00 0.00 H new ATOM 741 N MET A 50 22.139 7.038 15.318 1.00 0.00 N ATOM 742 CA MET A 50 20.968 7.505 14.602 1.00 0.00 C ATOM 743 C MET A 50 20.293 8.589 15.442 1.00 0.00 C ATOM 744 O MET A 50 19.736 9.539 14.895 1.00 0.00 O ATOM 745 CB MET A 50 20.046 6.321 14.276 1.00 0.00 C ATOM 746 CG MET A 50 20.717 5.201 13.462 1.00 0.00 C ATOM 747 SD MET A 50 22.374 5.517 12.739 1.00 0.00 S ATOM 748 CE MET A 50 23.011 3.837 12.566 1.00 0.00 C ATOM 0 H MET A 50 21.936 6.325 16.019 1.00 0.00 H new ATOM 0 HA MET A 50 21.238 7.948 13.643 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.670 5.901 15.209 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.183 6.690 13.722 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.798 4.326 14.106 1.00 0.00 H new ATOM 0 HG3 MET A 50 20.044 4.935 12.646 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.457 3.717 11.579 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.766 3.654 13.330 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.195 3.124 12.684 1.00 0.00 H new ATOM 758 N GLU A 51 20.436 8.532 16.766 1.00 0.00 N ATOM 759 CA GLU A 51 20.036 9.578 17.686 1.00 0.00 C ATOM 760 C GLU A 51 20.846 10.861 17.424 1.00 0.00 C ATOM 761 O GLU A 51 20.312 11.962 17.573 1.00 0.00 O ATOM 762 CB GLU A 51 20.196 9.047 19.126 1.00 0.00 C ATOM 763 CG GLU A 51 19.541 9.940 20.184 1.00 0.00 C ATOM 764 CD GLU A 51 18.003 9.936 20.082 1.00 0.00 C ATOM 765 OE1 GLU A 51 17.353 9.084 20.736 1.00 0.00 O ATOM 766 OE2 GLU A 51 17.431 10.795 19.370 1.00 0.00 O ATOM 0 H GLU A 51 20.848 7.726 17.236 1.00 0.00 H new ATOM 0 HA GLU A 51 18.990 9.847 17.538 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.763 8.049 19.187 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.258 8.948 19.352 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.838 9.601 21.177 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.908 10.960 20.073 1.00 0.00 H new ATOM 773 N GLU A 52 22.085 10.732 16.928 1.00 0.00 N ATOM 774 CA GLU A 52 22.893 11.855 16.450 1.00 0.00 C ATOM 775 C GLU A 52 22.181 12.659 15.344 1.00 0.00 C ATOM 776 O GLU A 52 22.500 13.833 15.141 1.00 0.00 O ATOM 777 CB GLU A 52 24.254 11.394 15.895 1.00 0.00 C ATOM 778 CG GLU A 52 25.268 10.831 16.905 1.00 0.00 C ATOM 779 CD GLU A 52 26.705 10.908 16.364 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.929 10.658 15.154 1.00 0.00 O ATOM 781 OE2 GLU A 52 27.629 11.206 17.154 1.00 0.00 O ATOM 0 H GLU A 52 22.557 9.831 16.848 1.00 0.00 H new ATOM 0 HA GLU A 52 23.045 12.489 17.324 1.00 0.00 H new ATOM 0 HB2 GLU A 52 24.070 10.631 15.139 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.717 12.240 15.387 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.200 11.388 17.839 1.00 0.00 H new ATOM 0 HG3 GLU A 52 25.019 9.795 17.133 1.00 0.00 H new ATOM 788 N VAL A 53 21.227 12.046 14.632 1.00 0.00 N ATOM 789 CA VAL A 53 20.516 12.608 13.495 1.00 0.00 C ATOM 790 C VAL A 53 18.987 12.519 13.694 1.00 0.00 C ATOM 791 O VAL A 53 18.224 12.757 12.756 1.00 0.00 O ATOM 792 CB VAL A 53 21.033 11.949 12.195 1.00 0.00 C ATOM 793 CG1 VAL A 53 22.480 12.372 11.887 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.966 10.415 12.164 1.00 0.00 C ATOM 0 H VAL A 53 20.921 11.098 14.851 1.00 0.00 H new ATOM 0 HA VAL A 53 20.720 13.675 13.409 1.00 0.00 H new ATOM 0 HB VAL A 53 20.343 12.314 11.434 1.00 0.00 H new ATOM 0 HG11 VAL A 53 22.812 11.891 10.967 1.00 0.00 H new ATOM 0 HG12 VAL A 53 22.525 13.454 11.767 1.00 0.00 H new ATOM 0 HG13 VAL A 53 23.130 12.071 12.709 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.351 10.053 11.211 1.00 0.00 H new ATOM 0 HG22 VAL A 53 21.568 10.008 12.977 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.931 10.094 12.283 1.00 0.00 H new ATOM 804 N GLY A 54 18.525 12.232 14.920 1.00 0.00 N ATOM 805 CA GLY A 54 17.110 12.235 15.271 1.00 0.00 C ATOM 806 C GLY A 54 16.325 11.088 14.625 1.00 0.00 C ATOM 807 O GLY A 54 15.179 11.298 14.218 1.00 0.00 O ATOM 0 H GLY A 54 19.136 11.989 15.700 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.011 12.169 16.355 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.669 13.185 14.968 1.00 0.00 H new ATOM 811 N ILE A 55 16.917 9.894 14.519 1.00 0.00 N ATOM 812 CA ILE A 55 16.300 8.681 13.991 1.00 0.00 C ATOM 813 C ILE A 55 16.456 7.588 15.053 1.00 0.00 C ATOM 814 O ILE A 55 17.384 7.608 15.862 1.00 0.00 O ATOM 815 CB ILE A 55 16.866 8.302 12.601 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.583 9.483 11.649 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.243 6.984 12.071 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.942 9.169 10.209 1.00 0.00 C ATOM 0 H ILE A 55 17.882 9.744 14.813 1.00 0.00 H new ATOM 0 HA ILE A 55 15.237 8.833 13.804 1.00 0.00 H new ATOM 0 HB ILE A 55 17.939 8.121 12.669 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.527 9.747 11.707 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.148 10.355 11.979 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.664 6.750 11.093 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.463 6.173 12.765 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.163 7.102 11.982 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.723 10.034 9.583 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.004 8.932 10.142 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.358 8.315 9.866 1.00 0.00 H new ATOM 830 N ASP A 56 15.556 6.607 15.025 1.00 0.00 N ATOM 831 CA ASP A 56 15.525 5.458 15.916 1.00 0.00 C ATOM 832 C ASP A 56 15.474 4.186 15.071 1.00 0.00 C ATOM 833 O ASP A 56 14.831 4.166 14.020 1.00 0.00 O ATOM 834 CB ASP A 56 14.303 5.551 16.842 1.00 0.00 C ATOM 835 CG ASP A 56 12.999 5.089 16.162 1.00 0.00 C ATOM 836 OD1 ASP A 56 12.682 3.876 16.198 1.00 0.00 O ATOM 837 OD2 ASP A 56 12.284 5.928 15.566 1.00 0.00 O ATOM 0 H ASP A 56 14.794 6.595 14.347 1.00 0.00 H new ATOM 0 HA ASP A 56 16.419 5.438 16.539 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.479 4.943 17.730 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.186 6.581 17.179 1.00 0.00 H new ATOM 842 N ILE A 57 16.146 3.126 15.535 1.00 0.00 N ATOM 843 CA ILE A 57 16.130 1.790 14.951 1.00 0.00 C ATOM 844 C ILE A 57 16.043 0.715 16.044 1.00 0.00 C ATOM 845 O ILE A 57 16.172 -0.473 15.765 1.00 0.00 O ATOM 846 CB ILE A 57 17.281 1.604 13.933 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.687 1.882 14.499 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.050 2.469 12.685 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.798 1.743 13.455 1.00 0.00 C ATOM 0 H ILE A 57 16.739 3.184 16.363 1.00 0.00 H new ATOM 0 HA ILE A 57 15.223 1.665 14.360 1.00 0.00 H new ATOM 0 HB ILE A 57 17.258 0.546 13.673 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.712 2.890 14.914 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.883 1.194 15.322 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.871 2.322 11.983 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.112 2.181 12.211 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.003 3.519 12.974 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.762 1.952 13.919 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.799 0.728 13.058 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.625 2.450 12.644 1.00 0.00 H new ATOM 861 N SER A 58 15.811 1.114 17.294 1.00 0.00 N ATOM 862 CA SER A 58 15.477 0.231 18.390 1.00 0.00 C ATOM 863 C SER A 58 14.057 -0.299 18.154 1.00 0.00 C ATOM 864 O SER A 58 13.242 0.349 17.490 1.00 0.00 O ATOM 865 CB SER A 58 15.595 1.004 19.718 1.00 0.00 C ATOM 866 OG SER A 58 15.535 2.419 19.526 1.00 0.00 O ATOM 0 H SER A 58 15.854 2.095 17.572 1.00 0.00 H new ATOM 0 HA SER A 58 16.160 -0.616 18.445 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.793 0.696 20.388 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.535 0.745 20.205 1.00 0.00 H new ATOM 0 HG SER A 58 15.612 2.870 20.393 1.00 0.00 H new ATOM 872 N GLY A 59 13.764 -1.500 18.651 1.00 0.00 N ATOM 873 CA GLY A 59 12.481 -2.157 18.414 1.00 0.00 C ATOM 874 C GLY A 59 12.303 -2.648 16.971 1.00 0.00 C ATOM 875 O GLY A 59 11.279 -3.272 16.682 1.00 0.00 O ATOM 0 H GLY A 59 14.407 -2.043 19.227 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.385 -3.005 19.092 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.676 -1.463 18.655 1.00 0.00 H new ATOM 879 N GLN A 60 13.260 -2.391 16.061 1.00 0.00 N ATOM 880 CA GLN A 60 13.265 -3.013 14.739 1.00 0.00 C ATOM 881 C GLN A 60 13.579 -4.514 14.866 1.00 0.00 C ATOM 882 O GLN A 60 13.652 -5.071 15.966 1.00 0.00 O ATOM 883 CB GLN A 60 14.184 -2.239 13.763 1.00 0.00 C ATOM 884 CG GLN A 60 13.460 -0.934 13.385 1.00 0.00 C ATOM 885 CD GLN A 60 14.217 0.036 12.485 1.00 0.00 C ATOM 886 OE1 GLN A 60 13.922 1.221 12.517 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.161 -0.385 11.668 1.00 0.00 N ATOM 0 H GLN A 60 14.039 -1.754 16.225 1.00 0.00 H new ATOM 0 HA GLN A 60 12.272 -2.951 14.293 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.145 -2.023 14.230 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.389 -2.836 12.874 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.524 -1.195 12.891 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.200 -0.411 14.305 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.408 -1.374 11.641 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.645 0.278 11.063 1.00 0.00 H new ATOM 896 N THR A 61 13.693 -5.169 13.715 1.00 0.00 N ATOM 897 CA THR A 61 13.861 -6.595 13.515 1.00 0.00 C ATOM 898 C THR A 61 14.983 -7.230 14.339 1.00 0.00 C ATOM 899 O THR A 61 15.875 -6.544 14.841 1.00 0.00 O ATOM 900 CB THR A 61 14.012 -6.828 12.001 1.00 0.00 C ATOM 901 OG1 THR A 61 14.797 -5.781 11.446 1.00 0.00 O ATOM 902 CG2 THR A 61 12.639 -6.798 11.327 1.00 0.00 C ATOM 0 H THR A 61 13.667 -4.669 12.826 1.00 0.00 H new ATOM 0 HA THR A 61 12.978 -7.110 13.894 1.00 0.00 H new ATOM 0 HB THR A 61 14.485 -7.796 11.838 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.947 -5.954 10.493 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.756 -6.964 10.256 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.009 -7.581 11.749 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.172 -5.827 11.495 1.00 0.00 H new ATOM 910 N SER A 62 14.939 -8.566 14.413 1.00 0.00 N ATOM 911 CA SER A 62 15.908 -9.427 15.085 1.00 0.00 C ATOM 912 C SER A 62 15.850 -10.850 14.482 1.00 0.00 C ATOM 913 O SER A 62 15.901 -11.846 15.208 1.00 0.00 O ATOM 914 CB SER A 62 15.656 -9.370 16.609 1.00 0.00 C ATOM 915 OG SER A 62 14.269 -9.454 16.937 1.00 0.00 O ATOM 0 H SER A 62 14.184 -9.099 13.981 1.00 0.00 H new ATOM 0 HA SER A 62 16.929 -9.080 14.925 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.191 -10.187 17.093 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.065 -8.441 17.007 1.00 0.00 H new ATOM 0 HG SER A 62 14.160 -9.416 17.910 1.00 0.00 H new ATOM 921 N ASP A 63 15.702 -10.962 13.148 1.00 0.00 N ATOM 922 CA ASP A 63 15.413 -12.236 12.473 1.00 0.00 C ATOM 923 C ASP A 63 16.182 -12.363 11.142 1.00 0.00 C ATOM 924 O ASP A 63 16.446 -11.345 10.490 1.00 0.00 O ATOM 925 CB ASP A 63 13.906 -12.366 12.197 1.00 0.00 C ATOM 926 CG ASP A 63 13.093 -12.715 13.452 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.115 -13.895 13.880 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.402 -11.819 13.997 1.00 0.00 O ATOM 0 H ASP A 63 15.780 -10.170 12.510 1.00 0.00 H new ATOM 0 HA ASP A 63 15.739 -13.035 13.139 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.537 -11.429 11.781 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.746 -13.135 11.442 1.00 0.00 H new ATOM 933 N PRO A 64 16.535 -13.594 10.717 1.00 0.00 N ATOM 934 CA PRO A 64 17.358 -13.843 9.537 1.00 0.00 C ATOM 935 C PRO A 64 16.559 -13.743 8.232 1.00 0.00 C ATOM 936 O PRO A 64 15.328 -13.814 8.230 1.00 0.00 O ATOM 937 CB PRO A 64 17.919 -15.256 9.738 1.00 0.00 C ATOM 938 CG PRO A 64 16.821 -15.965 10.524 1.00 0.00 C ATOM 939 CD PRO A 64 16.284 -14.851 11.422 1.00 0.00 C ATOM 0 HA PRO A 64 18.144 -13.094 9.441 1.00 0.00 H new ATOM 0 HB2 PRO A 64 18.114 -15.750 8.786 1.00 0.00 H new ATOM 0 HB3 PRO A 64 18.860 -15.240 10.288 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.048 -16.366 9.869 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.212 -16.801 11.104 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.219 -14.984 11.611 1.00 0.00 H new ATOM 0 HD3 PRO A 64 16.783 -14.859 12.391 1.00 0.00 H new ATOM 947 N ILE A 65 17.275 -13.658 7.106 1.00 0.00 N ATOM 948 CA ILE A 65 16.713 -13.547 5.757 1.00 0.00 C ATOM 949 C ILE A 65 15.797 -14.725 5.453 1.00 0.00 C ATOM 950 O ILE A 65 14.737 -14.555 4.862 1.00 0.00 O ATOM 951 CB ILE A 65 17.870 -13.408 4.722 1.00 0.00 C ATOM 952 CG1 ILE A 65 17.323 -13.148 3.297 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.852 -14.605 4.745 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.348 -13.195 2.156 1.00 0.00 C ATOM 0 H ILE A 65 18.295 -13.665 7.109 1.00 0.00 H new ATOM 0 HA ILE A 65 16.095 -12.651 5.690 1.00 0.00 H new ATOM 0 HB ILE A 65 18.450 -12.536 5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.546 -13.884 3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.845 -12.168 3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.634 -14.448 4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.302 -14.687 5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 65 18.312 -15.523 4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.847 -12.998 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.115 -12.439 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.811 -14.181 2.123 1.00 0.00 H new ATOM 966 N GLU A 66 16.193 -15.915 5.895 1.00 0.00 N ATOM 967 CA GLU A 66 15.544 -17.157 5.512 1.00 0.00 C ATOM 968 C GLU A 66 14.174 -17.337 6.175 1.00 0.00 C ATOM 969 O GLU A 66 13.359 -18.129 5.696 1.00 0.00 O ATOM 970 CB GLU A 66 16.516 -18.313 5.793 1.00 0.00 C ATOM 971 CG GLU A 66 16.762 -18.581 7.285 1.00 0.00 C ATOM 972 CD GLU A 66 17.714 -19.773 7.484 1.00 0.00 C ATOM 973 OE1 GLU A 66 17.235 -20.931 7.564 1.00 0.00 O ATOM 974 OE2 GLU A 66 18.950 -19.564 7.569 1.00 0.00 O ATOM 0 H GLU A 66 16.979 -16.042 6.533 1.00 0.00 H new ATOM 0 HA GLU A 66 15.319 -17.139 4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.126 -19.221 5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.470 -18.096 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.185 -17.692 7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.813 -18.782 7.783 1.00 0.00 H new ATOM 981 N ASN A 67 13.902 -16.592 7.256 1.00 0.00 N ATOM 982 CA ASN A 67 12.574 -16.513 7.842 1.00 0.00 C ATOM 983 C ASN A 67 11.635 -15.631 6.994 1.00 0.00 C ATOM 984 O ASN A 67 10.416 -15.785 7.101 1.00 0.00 O ATOM 985 CB ASN A 67 12.636 -16.061 9.319 1.00 0.00 C ATOM 986 CG ASN A 67 11.953 -14.721 9.567 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.822 -14.646 10.042 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.636 -13.644 9.233 1.00 0.00 N ATOM 0 H ASN A 67 14.602 -16.031 7.742 1.00 0.00 H new ATOM 0 HA ASN A 67 12.147 -17.516 7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.168 -16.821 9.945 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.679 -15.992 9.628 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.227 -12.719 9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.573 -13.736 8.841 1.00 0.00 H new ATOM 995 N PHE A 68 12.173 -14.721 6.164 1.00 0.00 N ATOM 996 CA PHE A 68 11.385 -13.815 5.346 1.00 0.00 C ATOM 997 C PHE A 68 11.130 -14.421 3.960 1.00 0.00 C ATOM 998 O PHE A 68 11.727 -15.430 3.569 1.00 0.00 O ATOM 999 CB PHE A 68 12.054 -12.428 5.269 1.00 0.00 C ATOM 1000 CG PHE A 68 12.033 -11.664 6.581 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.821 -11.149 7.075 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.215 -11.474 7.320 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.793 -10.439 8.289 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.184 -10.771 8.541 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.975 -10.242 9.024 1.00 0.00 C ATOM 0 H PHE A 68 13.179 -14.601 6.049 1.00 0.00 H new ATOM 0 HA PHE A 68 10.412 -13.672 5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.088 -12.551 4.947 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.551 -11.834 4.505 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.907 -11.299 6.519 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.150 -11.868 6.950 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.859 -10.043 8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.093 -10.638 9.108 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.954 -9.689 9.952 1.00 0.00 H new ATOM 1015 N ASN A 69 10.222 -13.793 3.211 1.00 0.00 N ATOM 1016 CA ASN A 69 9.723 -14.235 1.925 1.00 0.00 C ATOM 1017 C ASN A 69 9.570 -12.947 1.149 1.00 0.00 C ATOM 1018 O ASN A 69 8.570 -12.256 1.322 1.00 0.00 O ATOM 1019 CB ASN A 69 8.388 -14.958 2.157 1.00 0.00 C ATOM 1020 CG ASN A 69 7.605 -15.178 0.877 1.00 0.00 C ATOM 1021 OD1 ASN A 69 7.717 -16.189 0.193 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.791 -14.197 0.565 1.00 0.00 N ATOM 0 H ASN A 69 9.797 -12.915 3.509 1.00 0.00 H new ATOM 0 HA ASN A 69 10.362 -14.936 1.388 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.580 -15.921 2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.782 -14.377 2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.219 -14.258 -0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.731 -13.374 1.165 1.00 0.00 H new ATOM 1029 N ALA A 70 10.581 -12.571 0.362 1.00 0.00 N ATOM 1030 CA ALA A 70 10.572 -11.313 -0.369 1.00 0.00 C ATOM 1031 C ALA A 70 9.341 -11.173 -1.253 1.00 0.00 C ATOM 1032 O ALA A 70 8.905 -10.060 -1.498 1.00 0.00 O ATOM 1033 CB ALA A 70 11.813 -11.223 -1.238 1.00 0.00 C ATOM 0 H ALA A 70 11.422 -13.130 0.218 1.00 0.00 H new ATOM 0 HA ALA A 70 10.555 -10.508 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.806 -10.281 -1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.702 -11.271 -0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.823 -12.053 -1.944 1.00 0.00 H new ATOM 1039 N ASP A 71 8.775 -12.284 -1.713 1.00 0.00 N ATOM 1040 CA ASP A 71 7.532 -12.310 -2.484 1.00 0.00 C ATOM 1041 C ASP A 71 6.394 -11.551 -1.786 1.00 0.00 C ATOM 1042 O ASP A 71 5.519 -11.006 -2.464 1.00 0.00 O ATOM 1043 CB ASP A 71 7.135 -13.762 -2.782 1.00 0.00 C ATOM 1044 CG ASP A 71 5.613 -13.996 -2.775 1.00 0.00 C ATOM 1045 OD1 ASP A 71 5.072 -14.288 -1.683 1.00 0.00 O ATOM 1046 OD2 ASP A 71 4.978 -13.938 -3.855 1.00 0.00 O ATOM 0 H ASP A 71 9.173 -13.210 -1.559 1.00 0.00 H new ATOM 0 HA ASP A 71 7.711 -11.791 -3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.534 -14.047 -3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.599 -14.416 -2.044 1.00 0.00 H new ATOM 1051 N ASP A 72 6.410 -11.478 -0.452 1.00 0.00 N ATOM 1052 CA ASP A 72 5.409 -10.725 0.301 1.00 0.00 C ATOM 1053 C ASP A 72 5.577 -9.203 0.127 1.00 0.00 C ATOM 1054 O ASP A 72 4.617 -8.447 0.281 1.00 0.00 O ATOM 1055 CB ASP A 72 5.471 -11.103 1.781 1.00 0.00 C ATOM 1056 CG ASP A 72 4.379 -10.376 2.583 1.00 0.00 C ATOM 1057 OD1 ASP A 72 3.188 -10.751 2.451 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.708 -9.458 3.371 1.00 0.00 O ATOM 0 H ASP A 72 7.112 -11.936 0.130 1.00 0.00 H new ATOM 0 HA ASP A 72 4.430 -10.989 -0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.350 -12.181 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.452 -10.850 2.184 1.00 0.00 H new ATOM 1063 N TYR A 73 6.784 -8.770 -0.240 1.00 0.00 N ATOM 1064 CA TYR A 73 7.274 -7.407 -0.372 1.00 0.00 C ATOM 1065 C TYR A 73 7.384 -7.075 -1.877 1.00 0.00 C ATOM 1066 O TYR A 73 7.040 -7.919 -2.715 1.00 0.00 O ATOM 1067 CB TYR A 73 8.646 -7.270 0.346 1.00 0.00 C ATOM 1068 CG TYR A 73 8.682 -7.761 1.790 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.682 -9.143 2.047 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.712 -6.865 2.878 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.627 -9.639 3.358 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.619 -7.352 4.197 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.563 -8.741 4.443 1.00 0.00 C ATOM 1074 OH TYR A 73 8.438 -9.226 5.712 1.00 0.00 O ATOM 0 H TYR A 73 7.515 -9.441 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 73 6.588 -6.702 0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.393 -7.821 -0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.942 -6.221 0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.725 -9.836 1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.806 -5.804 2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.634 -10.704 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.590 -6.659 5.025 1.00 0.00 H new ATOM 0 HH TYR A 73 9.287 -9.627 5.994 1.00 0.00 H new ATOM 1084 N ASP A 74 7.845 -5.867 -2.256 1.00 0.00 N ATOM 1085 CA ASP A 74 8.137 -5.614 -3.681 1.00 0.00 C ATOM 1086 C ASP A 74 9.495 -4.969 -3.952 1.00 0.00 C ATOM 1087 O ASP A 74 9.834 -4.751 -5.109 1.00 0.00 O ATOM 1088 CB ASP A 74 7.018 -4.761 -4.294 1.00 0.00 C ATOM 1089 CG ASP A 74 6.757 -5.032 -5.791 1.00 0.00 C ATOM 1090 OD1 ASP A 74 7.123 -6.104 -6.329 1.00 0.00 O ATOM 1091 OD2 ASP A 74 6.074 -4.180 -6.411 1.00 0.00 O ATOM 0 H ASP A 74 8.017 -5.082 -1.628 1.00 0.00 H new ATOM 0 HA ASP A 74 8.183 -6.595 -4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.097 -4.939 -3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.269 -3.708 -4.166 1.00 0.00 H new ATOM 1096 N VAL A 75 10.301 -4.630 -2.944 1.00 0.00 N ATOM 1097 CA VAL A 75 11.579 -3.959 -3.154 1.00 0.00 C ATOM 1098 C VAL A 75 12.552 -4.564 -2.133 1.00 0.00 C ATOM 1099 O VAL A 75 12.244 -4.589 -0.941 1.00 0.00 O ATOM 1100 CB VAL A 75 11.323 -2.442 -3.047 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.531 -1.519 -2.842 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.462 -1.869 -4.189 1.00 0.00 C ATOM 0 H VAL A 75 10.085 -4.813 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 75 12.034 -4.103 -4.134 1.00 0.00 H new ATOM 0 HB VAL A 75 10.774 -2.428 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.193 -0.484 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.039 -1.785 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.220 -1.631 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.328 -0.797 -4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.960 -2.044 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.489 -2.359 -4.192 1.00 0.00 H new ATOM 1112 N VAL A 76 13.720 -5.062 -2.550 1.00 0.00 N ATOM 1113 CA VAL A 76 14.691 -5.653 -1.642 1.00 0.00 C ATOM 1114 C VAL A 76 16.047 -5.051 -1.941 1.00 0.00 C ATOM 1115 O VAL A 76 16.431 -4.912 -3.103 1.00 0.00 O ATOM 1116 CB VAL A 76 14.689 -7.189 -1.721 1.00 0.00 C ATOM 1117 CG1 VAL A 76 13.321 -7.770 -1.342 1.00 0.00 C ATOM 1118 CG2 VAL A 76 15.098 -7.755 -3.086 1.00 0.00 C ATOM 0 H VAL A 76 14.013 -5.064 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 76 14.423 -5.423 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 76 15.448 -7.494 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.356 -8.857 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.071 -7.477 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.562 -7.389 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.069 -8.844 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.408 -7.397 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.109 -7.426 -3.328 1.00 0.00 H new ATOM 1128 N ILE A 77 16.754 -4.691 -0.878 1.00 0.00 N ATOM 1129 CA ILE A 77 17.962 -3.902 -0.913 1.00 0.00 C ATOM 1130 C ILE A 77 18.951 -4.583 0.012 1.00 0.00 C ATOM 1131 O ILE A 77 19.082 -4.262 1.193 1.00 0.00 O ATOM 1132 CB ILE A 77 17.633 -2.465 -0.486 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.510 -1.812 -1.316 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.898 -1.608 -0.543 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.831 -1.645 -2.807 1.00 0.00 C ATOM 0 H ILE A 77 16.483 -4.956 0.069 1.00 0.00 H new ATOM 0 HA ILE A 77 18.398 -3.837 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 77 17.258 -2.522 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.607 -2.414 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.287 -0.832 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.661 -0.588 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.649 -2.022 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.288 -1.602 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 77 15.985 -1.178 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.714 -1.016 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.023 -2.622 -3.250 1.00 0.00 H new ATOM 1147 N SER A 78 19.582 -5.618 -0.507 1.00 0.00 N ATOM 1148 CA SER A 78 20.592 -6.305 0.258 1.00 0.00 C ATOM 1149 C SER A 78 21.818 -5.394 0.440 1.00 0.00 C ATOM 1150 O SER A 78 21.939 -4.365 -0.217 1.00 0.00 O ATOM 1151 CB SER A 78 20.787 -7.668 -0.417 1.00 0.00 C ATOM 1152 OG SER A 78 21.909 -8.364 0.067 1.00 0.00 O ATOM 0 H SER A 78 19.414 -5.994 -1.440 1.00 0.00 H new ATOM 0 HA SER A 78 20.321 -6.523 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.895 -8.275 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.892 -7.523 -1.492 1.00 0.00 H new ATOM 0 HG SER A 78 22.639 -8.300 -0.583 1.00 0.00 H new ATOM 1158 N LEU A 79 22.710 -5.727 1.370 1.00 0.00 N ATOM 1159 CA LEU A 79 24.026 -5.106 1.519 1.00 0.00 C ATOM 1160 C LEU A 79 24.947 -6.262 1.868 1.00 0.00 C ATOM 1161 O LEU A 79 25.578 -6.288 2.924 1.00 0.00 O ATOM 1162 CB LEU A 79 24.128 -3.949 2.540 1.00 0.00 C ATOM 1163 CG LEU A 79 23.246 -2.717 2.265 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.837 -2.804 2.845 1.00 0.00 C ATOM 1165 CD2 LEU A 79 23.879 -1.439 2.839 1.00 0.00 C ATOM 0 H LEU A 79 22.533 -6.457 2.061 1.00 0.00 H new ATOM 0 HA LEU A 79 24.292 -4.593 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.873 -4.339 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 79 25.167 -3.623 2.585 1.00 0.00 H new ATOM 0 HG LEU A 79 23.175 -2.687 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 79 21.287 -1.894 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.321 -3.664 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.895 -2.916 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 79 23.233 -0.587 2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 79 24.000 -1.545 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 79 24.854 -1.277 2.379 1.00 0.00 H new ATOM 1177 N CYS A 80 24.944 -7.275 1.004 1.00 0.00 N ATOM 1178 CA CYS A 80 25.781 -8.459 1.109 1.00 0.00 C ATOM 1179 C CYS A 80 26.907 -8.393 0.062 1.00 0.00 C ATOM 1180 O CYS A 80 27.639 -9.368 -0.108 1.00 0.00 O ATOM 1181 CB CYS A 80 24.905 -9.721 0.997 1.00 0.00 C ATOM 1182 SG CYS A 80 23.668 -9.754 2.334 1.00 0.00 S ATOM 0 H CYS A 80 24.336 -7.290 0.185 1.00 0.00 H new ATOM 0 HA CYS A 80 26.268 -8.504 2.083 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.404 -9.740 0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 80 25.531 -10.612 1.049 1.00 0.00 H new ATOM 0 HG CYS A 80 22.553 -9.242 1.906 1.00 0.00 H new ATOM 1188 N GLY A 81 27.074 -7.253 -0.626 1.00 0.00 N ATOM 1189 CA GLY A 81 28.227 -6.991 -1.482 1.00 0.00 C ATOM 1190 C GLY A 81 27.975 -7.438 -2.916 1.00 0.00 C ATOM 1191 O GLY A 81 28.916 -7.848 -3.590 1.00 0.00 O ATOM 0 H GLY A 81 26.404 -6.485 -0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.457 -5.926 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.100 -7.511 -1.087 1.00 0.00 H new ATOM 1195 N CYS A 82 26.719 -7.371 -3.370 1.00 0.00 N ATOM 1196 CA CYS A 82 26.142 -7.818 -4.647 1.00 0.00 C ATOM 1197 C CYS A 82 26.491 -9.227 -5.182 1.00 0.00 C ATOM 1198 O CYS A 82 25.830 -9.678 -6.118 1.00 0.00 O ATOM 1199 CB CYS A 82 26.308 -6.714 -5.700 1.00 0.00 C ATOM 1200 SG CYS A 82 27.984 -6.681 -6.409 1.00 0.00 S ATOM 0 H CYS A 82 25.996 -6.953 -2.784 1.00 0.00 H new ATOM 0 HA CYS A 82 25.091 -7.981 -4.410 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.581 -6.864 -6.498 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.089 -5.747 -5.247 1.00 0.00 H new ATOM 0 HG CYS A 82 28.833 -7.139 -5.538 1.00 0.00 H new ATOM 1206 N GLY A 83 27.457 -9.945 -4.601 1.00 0.00 N ATOM 1207 CA GLY A 83 27.850 -11.289 -5.018 1.00 0.00 C ATOM 1208 C GLY A 83 26.898 -12.374 -4.516 1.00 0.00 C ATOM 1209 O GLY A 83 26.951 -13.516 -4.986 1.00 0.00 O ATOM 0 H GLY A 83 27.998 -9.597 -3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.894 -11.327 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.855 -11.498 -4.651 1.00 0.00 H new ATOM 1213 N VAL A 84 26.035 -12.023 -3.561 1.00 0.00 N ATOM 1214 CA VAL A 84 24.961 -12.860 -3.067 1.00 0.00 C ATOM 1215 C VAL A 84 24.034 -13.222 -4.224 1.00 0.00 C ATOM 1216 O VAL A 84 23.846 -12.476 -5.189 1.00 0.00 O ATOM 1217 CB VAL A 84 24.248 -12.145 -1.887 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.460 -10.893 -2.318 1.00 0.00 C ATOM 1219 CG2 VAL A 84 23.322 -13.086 -1.098 1.00 0.00 C ATOM 0 H VAL A 84 26.073 -11.114 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 84 25.343 -13.800 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 84 25.059 -11.823 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.987 -10.443 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.141 -10.174 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 84 22.694 -11.176 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 84 22.850 -12.534 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.554 -13.482 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 84 23.905 -13.910 -0.686 1.00 0.00 H new ATOM 1229 N ASN A 85 23.427 -14.386 -4.070 1.00 0.00 N ATOM 1230 CA ASN A 85 22.473 -14.973 -4.983 1.00 0.00 C ATOM 1231 C ASN A 85 21.246 -15.230 -4.110 1.00 0.00 C ATOM 1232 O ASN A 85 21.106 -16.292 -3.499 1.00 0.00 O ATOM 1233 CB ASN A 85 23.112 -16.211 -5.630 1.00 0.00 C ATOM 1234 CG ASN A 85 22.091 -17.244 -6.083 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.263 -16.992 -6.955 1.00 0.00 O ATOM 1236 ND2 ASN A 85 22.157 -18.427 -5.495 1.00 0.00 N ATOM 0 H ASN A 85 23.600 -14.977 -3.257 1.00 0.00 H new ATOM 0 HA ASN A 85 22.177 -14.357 -5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 85 23.708 -15.898 -6.487 1.00 0.00 H new ATOM 0 HB3 ASN A 85 23.796 -16.673 -4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 85 21.507 -19.166 -5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 85 22.858 -18.600 -4.775 1.00 0.00 H new ATOM 1243 N LEU A 86 20.458 -14.167 -3.903 1.00 0.00 N ATOM 1244 CA LEU A 86 19.275 -14.218 -3.040 1.00 0.00 C ATOM 1245 C LEU A 86 18.273 -15.226 -3.643 1.00 0.00 C ATOM 1246 O LEU A 86 18.263 -15.390 -4.870 1.00 0.00 O ATOM 1247 CB LEU A 86 18.612 -12.830 -2.906 1.00 0.00 C ATOM 1248 CG LEU A 86 19.493 -11.672 -2.398 1.00 0.00 C ATOM 1249 CD1 LEU A 86 18.695 -10.368 -2.440 1.00 0.00 C ATOM 1250 CD2 LEU A 86 20.005 -11.858 -0.964 1.00 0.00 C ATOM 0 H LEU A 86 20.623 -13.254 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 86 19.578 -14.532 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.216 -12.550 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.760 -12.927 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 86 20.360 -11.649 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.318 -9.549 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.384 -10.165 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.814 -10.460 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.617 -11.001 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.158 -11.939 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.605 -12.766 -0.907 1.00 0.00 H new ATOM 1262 N PRO A 87 17.440 -15.908 -2.830 1.00 0.00 N ATOM 1263 CA PRO A 87 16.459 -16.869 -3.332 1.00 0.00 C ATOM 1264 C PRO A 87 15.509 -16.275 -4.386 1.00 0.00 C ATOM 1265 O PRO A 87 15.312 -15.058 -4.401 1.00 0.00 O ATOM 1266 CB PRO A 87 15.670 -17.341 -2.117 1.00 0.00 C ATOM 1267 CG PRO A 87 16.601 -17.081 -0.934 1.00 0.00 C ATOM 1268 CD PRO A 87 17.431 -15.874 -1.375 1.00 0.00 C ATOM 0 HA PRO A 87 16.975 -17.685 -3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.734 -16.792 -2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.413 -18.397 -2.196 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.040 -16.869 -0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.232 -17.945 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.995 -14.945 -1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.444 -15.930 -0.976 1.00 0.00 H new ATOM 1276 N PRO A 88 14.864 -17.096 -5.233 1.00 0.00 N ATOM 1277 CA PRO A 88 14.123 -16.616 -6.393 1.00 0.00 C ATOM 1278 C PRO A 88 13.098 -15.496 -6.144 1.00 0.00 C ATOM 1279 O PRO A 88 12.955 -14.604 -6.982 1.00 0.00 O ATOM 1280 CB PRO A 88 13.465 -17.856 -7.009 1.00 0.00 C ATOM 1281 CG PRO A 88 14.420 -18.983 -6.623 1.00 0.00 C ATOM 1282 CD PRO A 88 14.934 -18.552 -5.251 1.00 0.00 C ATOM 0 HA PRO A 88 14.829 -16.123 -7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.464 -18.021 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 88 13.366 -17.764 -8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 88 13.910 -19.945 -6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 88 15.232 -19.087 -7.343 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.326 -18.981 -4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.956 -18.895 -5.092 1.00 0.00 H new ATOM 1290 N GLU A 89 12.396 -15.500 -5.007 1.00 0.00 N ATOM 1291 CA GLU A 89 11.349 -14.529 -4.728 1.00 0.00 C ATOM 1292 C GLU A 89 11.907 -13.112 -4.554 1.00 0.00 C ATOM 1293 O GLU A 89 11.224 -12.116 -4.795 1.00 0.00 O ATOM 1294 CB GLU A 89 10.506 -14.945 -3.516 1.00 0.00 C ATOM 1295 CG GLU A 89 11.219 -15.145 -2.168 1.00 0.00 C ATOM 1296 CD GLU A 89 11.672 -16.596 -1.908 1.00 0.00 C ATOM 1297 OE1 GLU A 89 12.299 -17.216 -2.800 1.00 0.00 O ATOM 1298 OE2 GLU A 89 11.411 -17.110 -0.792 1.00 0.00 O ATOM 0 H GLU A 89 12.542 -16.178 -4.259 1.00 0.00 H new ATOM 0 HA GLU A 89 10.695 -14.512 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.732 -14.191 -3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.000 -15.878 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.090 -14.491 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.550 -14.834 -1.365 1.00 0.00 H new ATOM 1305 N TRP A 90 13.170 -13.021 -4.151 1.00 0.00 N ATOM 1306 CA TRP A 90 13.917 -11.782 -4.031 1.00 0.00 C ATOM 1307 C TRP A 90 14.246 -11.174 -5.396 1.00 0.00 C ATOM 1308 O TRP A 90 14.677 -10.026 -5.443 1.00 0.00 O ATOM 1309 CB TRP A 90 15.190 -12.036 -3.207 1.00 0.00 C ATOM 1310 CG TRP A 90 14.985 -12.521 -1.795 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.619 -13.768 -1.428 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.085 -11.778 -0.545 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.434 -13.831 -0.062 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.650 -12.608 0.527 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.402 -10.446 -0.226 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.489 -12.127 1.833 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.265 -9.944 1.082 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.793 -10.784 2.110 1.00 0.00 C ATOM 0 H TRP A 90 13.718 -13.841 -3.890 1.00 0.00 H new ATOM 0 HA TRP A 90 13.295 -11.051 -3.515 1.00 0.00 H new ATOM 0 HB2 TRP A 90 15.799 -12.769 -3.736 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.765 -11.111 -3.171 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.490 -14.598 -2.107 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.171 -14.676 0.445 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.760 -9.790 -1.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.136 -12.781 2.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.521 -8.917 1.297 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.665 -10.396 3.110 1.00 0.00 H new ATOM 1329 N VAL A 91 14.017 -11.890 -6.502 1.00 0.00 N ATOM 1330 CA VAL A 91 14.206 -11.384 -7.848 1.00 0.00 C ATOM 1331 C VAL A 91 12.861 -10.890 -8.402 1.00 0.00 C ATOM 1332 O VAL A 91 12.833 -9.935 -9.181 1.00 0.00 O ATOM 1333 CB VAL A 91 14.876 -12.446 -8.728 1.00 0.00 C ATOM 1334 CG1 VAL A 91 15.364 -11.868 -10.063 1.00 0.00 C ATOM 1335 CG2 VAL A 91 16.074 -13.138 -8.047 1.00 0.00 C ATOM 0 H VAL A 91 13.689 -12.855 -6.476 1.00 0.00 H new ATOM 0 HA VAL A 91 14.882 -10.529 -7.840 1.00 0.00 H new ATOM 0 HB VAL A 91 14.093 -13.184 -8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.831 -12.657 -10.652 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.517 -11.458 -10.613 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.091 -11.078 -9.874 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.501 -13.877 -8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.831 -12.394 -7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.738 -13.633 -7.135 1.00 0.00 H new ATOM 1345 N THR A 92 11.736 -11.473 -7.973 1.00 0.00 N ATOM 1346 CA THR A 92 10.399 -11.182 -8.489 1.00 0.00 C ATOM 1347 C THR A 92 9.786 -9.979 -7.750 1.00 0.00 C ATOM 1348 O THR A 92 8.736 -10.059 -7.113 1.00 0.00 O ATOM 1349 CB THR A 92 9.554 -12.469 -8.467 1.00 0.00 C ATOM 1350 OG1 THR A 92 9.576 -13.085 -7.195 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.151 -13.470 -9.460 1.00 0.00 C ATOM 0 H THR A 92 11.733 -12.179 -7.237 1.00 0.00 H new ATOM 0 HA THR A 92 10.439 -10.870 -9.533 1.00 0.00 H new ATOM 0 HB THR A 92 8.530 -12.197 -8.721 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.029 -13.898 -7.216 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.560 -14.386 -9.453 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.141 -13.039 -10.461 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.178 -13.698 -9.174 1.00 0.00 H new ATOM 1359 N GLN A 93 10.517 -8.872 -7.803 1.00 0.00 N ATOM 1360 CA GLN A 93 10.346 -7.641 -7.071 1.00 0.00 C ATOM 1361 C GLN A 93 10.398 -6.478 -8.079 1.00 0.00 C ATOM 1362 O GLN A 93 11.002 -6.603 -9.150 1.00 0.00 O ATOM 1363 CB GLN A 93 11.549 -7.540 -6.123 1.00 0.00 C ATOM 1364 CG GLN A 93 11.694 -8.640 -5.076 1.00 0.00 C ATOM 1365 CD GLN A 93 10.538 -8.664 -4.095 1.00 0.00 C ATOM 1366 OE1 GLN A 93 10.358 -7.753 -3.297 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.758 -9.721 -4.106 1.00 0.00 N ATOM 0 H GLN A 93 11.323 -8.818 -8.425 1.00 0.00 H new ATOM 0 HA GLN A 93 9.404 -7.608 -6.523 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.457 -7.524 -6.726 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.494 -6.583 -5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.762 -9.606 -5.576 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.627 -8.497 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.924 -10.470 -4.778 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.987 -9.793 -3.442 1.00 0.00 H new ATOM 1376 N GLU A 94 9.805 -5.336 -7.741 1.00 0.00 N ATOM 1377 CA GLU A 94 9.925 -4.083 -8.446 1.00 0.00 C ATOM 1378 C GLU A 94 11.372 -3.587 -8.340 1.00 0.00 C ATOM 1379 O GLU A 94 11.919 -3.115 -9.341 1.00 0.00 O ATOM 1380 CB GLU A 94 8.899 -3.094 -7.855 1.00 0.00 C ATOM 1381 CG GLU A 94 9.281 -1.617 -7.913 1.00 0.00 C ATOM 1382 CD GLU A 94 9.478 -1.049 -9.336 1.00 0.00 C ATOM 1383 OE1 GLU A 94 8.892 -1.583 -10.310 1.00 0.00 O ATOM 1384 OE2 GLU A 94 10.187 -0.024 -9.479 1.00 0.00 O ATOM 0 H GLU A 94 9.198 -5.266 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 94 9.704 -4.191 -9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.953 -3.225 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.724 -3.363 -6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.507 -1.037 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.203 -1.473 -7.350 1.00 0.00 H new ATOM 1391 N ILE A 95 12.011 -3.754 -7.172 1.00 0.00 N ATOM 1392 CA ILE A 95 13.446 -3.504 -7.037 1.00 0.00 C ATOM 1393 C ILE A 95 14.133 -4.702 -6.391 1.00 0.00 C ATOM 1394 O ILE A 95 13.661 -5.243 -5.395 1.00 0.00 O ATOM 1395 CB ILE A 95 13.763 -2.242 -6.194 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.287 -0.914 -6.799 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.272 -2.097 -5.904 1.00 0.00 C ATOM 1398 CD1 ILE A 95 14.031 -0.424 -8.049 1.00 0.00 C ATOM 0 H ILE A 95 11.555 -4.060 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 95 13.822 -3.339 -8.047 1.00 0.00 H new ATOM 0 HB ILE A 95 13.198 -2.419 -5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 95 12.230 -1.012 -7.048 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.364 -0.143 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.444 -1.199 -5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.622 -2.969 -5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.818 -2.021 -6.845 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.602 0.522 -8.380 1.00 0.00 H new ATOM 0 HD12 ILE A 95 15.085 -0.282 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.934 -1.164 -8.843 1.00 0.00 H new ATOM 1410 N PHE A 96 15.288 -5.058 -6.938 1.00 0.00 N ATOM 1411 CA PHE A 96 16.239 -5.970 -6.338 1.00 0.00 C ATOM 1412 C PHE A 96 17.542 -5.223 -6.578 1.00 0.00 C ATOM 1413 O PHE A 96 17.976 -5.050 -7.721 1.00 0.00 O ATOM 1414 CB PHE A 96 16.272 -7.389 -6.920 1.00 0.00 C ATOM 1415 CG PHE A 96 17.524 -8.188 -6.532 1.00 0.00 C ATOM 1416 CD1 PHE A 96 18.254 -7.911 -5.349 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.029 -9.157 -7.422 1.00 0.00 C ATOM 1418 CE1 PHE A 96 19.512 -8.499 -5.119 1.00 0.00 C ATOM 1419 CE2 PHE A 96 19.254 -9.800 -7.158 1.00 0.00 C ATOM 1420 CZ PHE A 96 20.005 -9.460 -6.018 1.00 0.00 C ATOM 0 H PHE A 96 15.594 -4.704 -7.844 1.00 0.00 H new ATOM 0 HA PHE A 96 15.997 -6.184 -5.297 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.388 -7.930 -6.583 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.214 -7.328 -8.007 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.839 -7.239 -4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.473 -9.408 -8.313 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.095 -8.213 -4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.619 -10.559 -7.835 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.957 -9.936 -5.834 1.00 0.00 H new ATOM 1430 N GLU A 97 18.113 -4.722 -5.493 1.00 0.00 N ATOM 1431 CA GLU A 97 19.386 -4.047 -5.481 1.00 0.00 C ATOM 1432 C GLU A 97 20.198 -4.656 -4.338 1.00 0.00 C ATOM 1433 O GLU A 97 19.670 -5.339 -3.449 1.00 0.00 O ATOM 1434 CB GLU A 97 19.168 -2.524 -5.333 1.00 0.00 C ATOM 1435 CG GLU A 97 19.748 -1.714 -6.501 1.00 0.00 C ATOM 1436 CD GLU A 97 21.287 -1.648 -6.488 1.00 0.00 C ATOM 1437 OE1 GLU A 97 21.944 -2.707 -6.624 1.00 0.00 O ATOM 1438 OE2 GLU A 97 21.837 -0.529 -6.349 1.00 0.00 O ATOM 0 H GLU A 97 17.682 -4.780 -4.570 1.00 0.00 H new ATOM 0 HA GLU A 97 19.936 -4.179 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.100 -2.322 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 97 19.625 -2.187 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.418 -2.156 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.347 -0.701 -6.467 1.00 0.00 H new ATOM 1445 N ASP A 98 21.494 -4.389 -4.359 1.00 0.00 N ATOM 1446 CA ASP A 98 22.396 -4.699 -3.273 1.00 0.00 C ATOM 1447 C ASP A 98 23.348 -3.522 -3.132 1.00 0.00 C ATOM 1448 O ASP A 98 24.200 -3.277 -3.989 1.00 0.00 O ATOM 1449 CB ASP A 98 23.150 -6.010 -3.467 1.00 0.00 C ATOM 1450 CG ASP A 98 23.977 -6.336 -2.217 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.996 -5.668 -1.940 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.662 -7.336 -1.535 1.00 0.00 O ATOM 0 H ASP A 98 21.954 -3.941 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 98 21.819 -4.849 -2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.445 -6.817 -3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.804 -5.936 -4.336 1.00 0.00 H new ATOM 1457 N TRP A 99 23.129 -2.729 -2.095 1.00 0.00 N ATOM 1458 CA TRP A 99 23.899 -1.550 -1.770 1.00 0.00 C ATOM 1459 C TRP A 99 25.204 -2.017 -1.128 1.00 0.00 C ATOM 1460 O TRP A 99 25.300 -2.139 0.084 1.00 0.00 O ATOM 1461 CB TRP A 99 22.997 -0.608 -0.940 1.00 0.00 C ATOM 1462 CG TRP A 99 21.888 0.030 -1.730 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.663 -0.124 -3.059 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.771 0.840 -1.245 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.515 0.534 -3.430 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.883 1.076 -2.339 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.373 1.332 0.022 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.642 1.696 -2.178 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 19.119 1.957 0.192 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.254 2.110 -0.897 1.00 0.00 C ATOM 0 H TRP A 99 22.375 -2.902 -1.430 1.00 0.00 H new ATOM 0 HA TRP A 99 24.206 -0.950 -2.627 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.563 -1.172 -0.114 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.614 0.176 -0.501 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.297 -0.684 -3.730 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.177 0.610 -4.389 1.00 0.00 H new ATOM 0 HE3 TRP A 99 21.037 1.228 0.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.993 1.854 -3.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.826 2.319 1.167 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.279 2.551 -0.749 1.00 0.00 H new ATOM 1481 N GLN A 100 26.215 -2.295 -1.953 1.00 0.00 N ATOM 1482 CA GLN A 100 27.523 -2.852 -1.580 1.00 0.00 C ATOM 1483 C GLN A 100 28.388 -1.904 -0.693 1.00 0.00 C ATOM 1484 O GLN A 100 29.620 -1.938 -0.762 1.00 0.00 O ATOM 1485 CB GLN A 100 28.318 -3.147 -2.857 1.00 0.00 C ATOM 1486 CG GLN A 100 27.605 -4.007 -3.902 1.00 0.00 C ATOM 1487 CD GLN A 100 27.528 -3.326 -5.272 1.00 0.00 C ATOM 1488 OE1 GLN A 100 28.543 -3.033 -5.900 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.329 -3.045 -5.758 1.00 0.00 N ATOM 0 H GLN A 100 26.142 -2.129 -2.957 1.00 0.00 H new ATOM 0 HA GLN A 100 27.316 -3.748 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.591 -2.199 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 100 29.247 -3.644 -2.577 1.00 0.00 H new ATOM 0 HG2 GLN A 100 28.128 -4.958 -4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 100 26.597 -4.232 -3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.493 -3.293 -5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 100 26.241 -2.581 -6.662 1.00 0.00 H new ATOM 1498 N LEU A 101 27.767 -0.960 0.021 1.00 0.00 N ATOM 1499 CA LEU A 101 28.401 0.143 0.754 1.00 0.00 C ATOM 1500 C LEU A 101 29.322 -0.370 1.869 1.00 0.00 C ATOM 1501 O LEU A 101 29.420 -1.574 2.114 1.00 0.00 O ATOM 1502 CB LEU A 101 27.329 1.110 1.322 1.00 0.00 C ATOM 1503 CG LEU A 101 26.834 2.230 0.376 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.926 3.286 0.162 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.405 1.719 -1.003 1.00 0.00 C ATOM 0 H LEU A 101 26.751 -0.943 0.109 1.00 0.00 H new ATOM 0 HA LEU A 101 29.023 0.693 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.467 0.519 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.733 1.577 2.220 1.00 0.00 H new ATOM 0 HG LEU A 101 25.963 2.658 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.555 4.063 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.196 3.730 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.805 2.816 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.070 2.557 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.250 1.231 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.590 1.004 -0.889 1.00 0.00 H new ATOM 1517 N GLU A 102 30.006 0.559 2.548 1.00 0.00 N ATOM 1518 CA GLU A 102 30.951 0.254 3.612 1.00 0.00 C ATOM 1519 C GLU A 102 30.363 -0.608 4.720 1.00 0.00 C ATOM 1520 O GLU A 102 29.150 -0.757 4.895 1.00 0.00 O ATOM 1521 CB GLU A 102 31.572 1.541 4.194 1.00 0.00 C ATOM 1522 CG GLU A 102 32.925 1.818 3.541 1.00 0.00 C ATOM 1523 CD GLU A 102 34.076 0.975 4.135 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.849 -0.188 4.543 1.00 0.00 O ATOM 1525 OE2 GLU A 102 35.226 1.480 4.182 1.00 0.00 O ATOM 0 H GLU A 102 29.912 1.558 2.365 1.00 0.00 H new ATOM 0 HA GLU A 102 31.738 -0.339 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.901 2.384 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.695 1.438 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.852 1.618 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 102 33.164 2.876 3.652 1.00 0.00 H new ATOM 1532 N ASP A 103 31.280 -1.180 5.471 1.00 0.00 N ATOM 1533 CA ASP A 103 31.055 -2.198 6.474 1.00 0.00 C ATOM 1534 C ASP A 103 31.480 -1.640 7.831 1.00 0.00 C ATOM 1535 O ASP A 103 32.679 -1.475 8.082 1.00 0.00 O ATOM 1536 CB ASP A 103 31.843 -3.464 6.130 1.00 0.00 C ATOM 1537 CG ASP A 103 31.569 -4.584 7.138 1.00 0.00 C ATOM 1538 OD1 ASP A 103 30.750 -4.391 8.067 1.00 0.00 O ATOM 1539 OD2 ASP A 103 32.173 -5.669 6.974 1.00 0.00 O ATOM 0 H ASP A 103 32.266 -0.930 5.392 1.00 0.00 H new ATOM 0 HA ASP A 103 29.999 -2.467 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 103 31.575 -3.800 5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 103 32.909 -3.238 6.116 1.00 0.00 H new ATOM 1544 N PRO A 104 30.530 -1.289 8.711 1.00 0.00 N ATOM 1545 CA PRO A 104 30.842 -0.735 10.013 1.00 0.00 C ATOM 1546 C PRO A 104 31.266 -1.824 11.024 1.00 0.00 C ATOM 1547 O PRO A 104 31.235 -1.541 12.216 1.00 0.00 O ATOM 1548 CB PRO A 104 29.574 0.023 10.424 1.00 0.00 C ATOM 1549 CG PRO A 104 28.463 -0.826 9.807 1.00 0.00 C ATOM 1550 CD PRO A 104 29.090 -1.351 8.515 1.00 0.00 C ATOM 0 HA PRO A 104 31.705 -0.069 9.986 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.477 0.093 11.507 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.568 1.042 10.037 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.166 -1.640 10.468 1.00 0.00 H new ATOM 0 HG3 PRO A 104 27.569 -0.234 9.608 1.00 0.00 H new ATOM 0 HD2 PRO A 104 28.768 -2.372 8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 104 28.787 -0.746 7.661 1.00 0.00 H new ATOM 1558 N ASP A 105 31.636 -3.036 10.578 1.00 0.00 N ATOM 1559 CA ASP A 105 32.186 -4.184 11.323 1.00 0.00 C ATOM 1560 C ASP A 105 32.913 -3.834 12.637 1.00 0.00 C ATOM 1561 O ASP A 105 34.138 -3.677 12.658 1.00 0.00 O ATOM 1562 CB ASP A 105 33.149 -4.975 10.425 1.00 0.00 C ATOM 1563 CG ASP A 105 33.721 -6.214 11.145 1.00 0.00 C ATOM 1564 OD1 ASP A 105 32.984 -6.870 11.921 1.00 0.00 O ATOM 1565 OD2 ASP A 105 34.902 -6.561 10.904 1.00 0.00 O ATOM 0 H ASP A 105 31.549 -3.260 9.587 1.00 0.00 H new ATOM 0 HA ASP A 105 31.314 -4.773 11.608 1.00 0.00 H new ATOM 0 HB2 ASP A 105 32.627 -5.289 9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 105 33.968 -4.327 10.111 1.00 0.00 H new ATOM 1570 N GLY A 106 32.154 -3.701 13.732 1.00 0.00 N ATOM 1571 CA GLY A 106 32.648 -3.252 15.041 1.00 0.00 C ATOM 1572 C GLY A 106 33.584 -2.030 14.971 1.00 0.00 C ATOM 1573 O GLY A 106 34.533 -1.939 15.757 1.00 0.00 O ATOM 0 H GLY A 106 31.155 -3.907 13.733 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.796 -3.008 15.676 1.00 0.00 H new ATOM 0 HA3 GLY A 106 33.177 -4.076 15.520 1.00 0.00 H new ATOM 1577 N GLN A 107 33.371 -1.135 14.001 1.00 0.00 N ATOM 1578 CA GLN A 107 34.281 -0.048 13.666 1.00 0.00 C ATOM 1579 C GLN A 107 34.156 1.142 14.614 1.00 0.00 C ATOM 1580 O GLN A 107 33.373 1.150 15.569 1.00 0.00 O ATOM 1581 CB GLN A 107 34.087 0.372 12.191 1.00 0.00 C ATOM 1582 CG GLN A 107 34.702 -0.686 11.253 1.00 0.00 C ATOM 1583 CD GLN A 107 35.547 -0.071 10.138 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.610 0.490 10.389 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.111 -0.153 8.891 1.00 0.00 N ATOM 0 H GLN A 107 32.537 -1.152 13.414 1.00 0.00 H new ATOM 0 HA GLN A 107 35.298 -0.421 13.792 1.00 0.00 H new ATOM 0 HB2 GLN A 107 33.025 0.488 11.975 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.555 1.341 12.016 1.00 0.00 H new ATOM 0 HG2 GLN A 107 35.320 -1.367 11.837 1.00 0.00 H new ATOM 0 HG3 GLN A 107 33.903 -1.281 10.811 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.227 -0.620 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 107 35.659 0.251 8.132 1.00 0.00 H new ATOM 1594 N SER A 108 34.978 2.148 14.317 1.00 0.00 N ATOM 1595 CA SER A 108 34.954 3.449 14.946 1.00 0.00 C ATOM 1596 C SER A 108 33.598 4.115 14.697 1.00 0.00 C ATOM 1597 O SER A 108 32.897 3.793 13.729 1.00 0.00 O ATOM 1598 CB SER A 108 36.121 4.280 14.385 1.00 0.00 C ATOM 1599 OG SER A 108 36.183 4.173 12.968 1.00 0.00 O ATOM 0 H SER A 108 35.703 2.066 13.604 1.00 0.00 H new ATOM 0 HA SER A 108 35.078 3.365 16.026 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.999 5.325 14.670 1.00 0.00 H new ATOM 0 HB3 SER A 108 37.059 3.938 14.821 1.00 0.00 H new ATOM 0 HG SER A 108 36.931 4.710 12.632 1.00 0.00 H new ATOM 1605 N LEU A 109 33.261 5.107 15.529 1.00 0.00 N ATOM 1606 CA LEU A 109 32.042 5.893 15.365 1.00 0.00 C ATOM 1607 C LEU A 109 32.017 6.564 13.998 1.00 0.00 C ATOM 1608 O LEU A 109 30.951 6.748 13.429 1.00 0.00 O ATOM 1609 CB LEU A 109 31.895 6.966 16.466 1.00 0.00 C ATOM 1610 CG LEU A 109 31.717 6.466 17.918 1.00 0.00 C ATOM 1611 CD1 LEU A 109 31.263 7.637 18.803 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.723 5.307 18.056 1.00 0.00 C ATOM 0 H LEU A 109 33.827 5.384 16.331 1.00 0.00 H new ATOM 0 HA LEU A 109 31.204 5.201 15.449 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.777 7.606 16.434 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.038 7.592 16.216 1.00 0.00 H new ATOM 0 HG LEU A 109 32.685 6.081 18.237 1.00 0.00 H new ATOM 0 HD11 LEU A 109 31.136 7.290 19.828 1.00 0.00 H new ATOM 0 HD12 LEU A 109 32.015 8.425 18.777 1.00 0.00 H new ATOM 0 HD13 LEU A 109 30.315 8.027 18.432 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.652 5.011 19.103 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.743 5.624 17.701 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.067 4.460 17.462 1.00 0.00 H new ATOM 1624 N GLU A 110 33.178 6.899 13.439 1.00 0.00 N ATOM 1625 CA GLU A 110 33.267 7.573 12.150 1.00 0.00 C ATOM 1626 C GLU A 110 32.731 6.697 11.037 1.00 0.00 C ATOM 1627 O GLU A 110 32.025 7.213 10.171 1.00 0.00 O ATOM 1628 CB GLU A 110 34.712 7.973 11.847 1.00 0.00 C ATOM 1629 CG GLU A 110 35.121 9.109 12.779 1.00 0.00 C ATOM 1630 CD GLU A 110 36.530 9.639 12.456 1.00 0.00 C ATOM 1631 OE1 GLU A 110 36.656 10.582 11.636 1.00 0.00 O ATOM 1632 OE2 GLU A 110 37.522 9.132 13.034 1.00 0.00 O ATOM 0 H GLU A 110 34.083 6.710 13.869 1.00 0.00 H new ATOM 0 HA GLU A 110 32.655 8.473 12.206 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.375 7.118 11.982 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.805 8.287 10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 110 34.400 9.922 12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.093 8.760 13.811 1.00 0.00 H new ATOM 1639 N VAL A 111 33.000 5.389 11.042 1.00 0.00 N ATOM 1640 CA VAL A 111 32.456 4.557 9.986 1.00 0.00 C ATOM 1641 C VAL A 111 30.958 4.382 10.197 1.00 0.00 C ATOM 1642 O VAL A 111 30.221 4.502 9.226 1.00 0.00 O ATOM 1643 CB VAL A 111 33.234 3.240 9.833 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.659 2.424 8.662 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.716 3.539 9.550 1.00 0.00 C ATOM 0 H VAL A 111 33.568 4.906 11.738 1.00 0.00 H new ATOM 0 HA VAL A 111 32.584 5.055 9.025 1.00 0.00 H new ATOM 0 HB VAL A 111 33.142 2.670 10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.215 1.492 8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.610 2.201 8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.744 3.000 7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.262 2.602 9.443 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.801 4.116 8.629 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.136 4.111 10.377 1.00 0.00 H new ATOM 1655 N PHE A 112 30.485 4.200 11.435 1.00 0.00 N ATOM 1656 CA PHE A 112 29.044 4.253 11.718 1.00 0.00 C ATOM 1657 C PHE A 112 28.421 5.534 11.119 1.00 0.00 C ATOM 1658 O PHE A 112 27.454 5.444 10.365 1.00 0.00 O ATOM 1659 CB PHE A 112 28.759 4.160 13.222 1.00 0.00 C ATOM 1660 CG PHE A 112 28.724 2.765 13.823 1.00 0.00 C ATOM 1661 CD1 PHE A 112 29.893 1.984 13.927 1.00 0.00 C ATOM 1662 CD2 PHE A 112 27.511 2.265 14.336 1.00 0.00 C ATOM 1663 CE1 PHE A 112 29.850 0.727 14.552 1.00 0.00 C ATOM 1664 CE2 PHE A 112 27.478 1.021 14.988 1.00 0.00 C ATOM 1665 CZ PHE A 112 28.646 0.248 15.096 1.00 0.00 C ATOM 0 H PHE A 112 31.071 4.017 12.250 1.00 0.00 H new ATOM 0 HA PHE A 112 28.581 3.387 11.245 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.518 4.739 13.749 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.800 4.639 13.417 1.00 0.00 H new ATOM 0 HD1 PHE A 112 30.825 2.353 13.525 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.603 2.840 14.228 1.00 0.00 H new ATOM 0 HE1 PHE A 112 30.745 0.126 14.615 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.552 0.658 15.408 1.00 0.00 H new ATOM 0 HZ PHE A 112 28.619 -0.710 15.595 1.00 0.00 H new ATOM 1675 N ARG A 113 29.004 6.715 11.388 1.00 0.00 N ATOM 1676 CA ARG A 113 28.506 8.004 10.877 1.00 0.00 C ATOM 1677 C ARG A 113 28.519 8.038 9.357 1.00 0.00 C ATOM 1678 O ARG A 113 27.560 8.495 8.736 1.00 0.00 O ATOM 1679 CB ARG A 113 29.382 9.173 11.376 1.00 0.00 C ATOM 1680 CG ARG A 113 29.195 9.517 12.860 1.00 0.00 C ATOM 1681 CD ARG A 113 30.040 10.733 13.253 1.00 0.00 C ATOM 1682 NE ARG A 113 29.745 11.152 14.634 1.00 0.00 N ATOM 1683 CZ ARG A 113 30.563 11.824 15.453 1.00 0.00 C ATOM 1684 NH1 ARG A 113 31.767 12.235 15.050 1.00 0.00 N ATOM 1685 NH2 ARG A 113 30.167 12.088 16.689 1.00 0.00 N ATOM 0 H ARG A 113 29.838 6.803 11.969 1.00 0.00 H new ATOM 0 HA ARG A 113 27.486 8.110 11.245 1.00 0.00 H new ATOM 0 HB2 ARG A 113 30.429 8.926 11.202 1.00 0.00 H new ATOM 0 HB3 ARG A 113 29.160 10.058 10.780 1.00 0.00 H new ATOM 0 HG2 ARG A 113 28.143 9.721 13.060 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.476 8.661 13.474 1.00 0.00 H new ATOM 0 HD2 ARG A 113 31.099 10.491 13.160 1.00 0.00 H new ATOM 0 HD3 ARG A 113 29.840 11.557 12.568 1.00 0.00 H new ATOM 0 HE ARG A 113 28.826 10.906 15.003 1.00 0.00 H new ATOM 0 HH11 ARG A 113 32.081 12.039 14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 113 32.373 12.746 15.692 1.00 0.00 H new ATOM 0 HH21 ARG A 113 29.248 11.780 17.007 1.00 0.00 H new ATOM 0 HH22 ARG A 113 30.781 12.599 17.323 1.00 0.00 H new ATOM 1699 N THR A 114 29.613 7.577 8.763 1.00 0.00 N ATOM 1700 CA THR A 114 29.809 7.694 7.332 1.00 0.00 C ATOM 1701 C THR A 114 28.823 6.766 6.632 1.00 0.00 C ATOM 1702 O THR A 114 28.152 7.184 5.692 1.00 0.00 O ATOM 1703 CB THR A 114 31.274 7.369 6.987 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.146 8.274 7.639 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.543 7.446 5.480 1.00 0.00 C ATOM 0 H THR A 114 30.378 7.118 9.257 1.00 0.00 H new ATOM 0 HA THR A 114 29.618 8.711 6.989 1.00 0.00 H new ATOM 0 HB THR A 114 31.455 6.349 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.218 8.034 8.586 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.589 7.209 5.285 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.906 6.731 4.960 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.326 8.453 5.123 1.00 0.00 H new ATOM 1713 N VAL A 115 28.688 5.522 7.104 1.00 0.00 N ATOM 1714 CA VAL A 115 27.904 4.510 6.399 1.00 0.00 C ATOM 1715 C VAL A 115 26.453 4.952 6.416 1.00 0.00 C ATOM 1716 O VAL A 115 25.819 5.008 5.371 1.00 0.00 O ATOM 1717 CB VAL A 115 28.111 3.121 7.044 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.114 2.065 6.543 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.508 2.586 6.726 1.00 0.00 C ATOM 0 H VAL A 115 29.113 5.195 7.972 1.00 0.00 H new ATOM 0 HA VAL A 115 28.229 4.413 5.363 1.00 0.00 H new ATOM 0 HB VAL A 115 27.964 3.276 8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.314 1.113 7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.098 2.386 6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.221 1.946 5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.637 1.607 7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 115 29.626 2.496 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.258 3.273 7.117 1.00 0.00 H new ATOM 1729 N ARG A 116 25.971 5.368 7.587 1.00 0.00 N ATOM 1730 CA ARG A 116 24.684 6.022 7.777 1.00 0.00 C ATOM 1731 C ARG A 116 24.431 7.060 6.688 1.00 0.00 C ATOM 1732 O ARG A 116 23.437 6.938 5.982 1.00 0.00 O ATOM 1733 CB ARG A 116 24.741 6.591 9.200 1.00 0.00 C ATOM 1734 CG ARG A 116 23.665 7.585 9.629 1.00 0.00 C ATOM 1735 CD ARG A 116 24.132 8.234 10.929 1.00 0.00 C ATOM 1736 NE ARG A 116 24.895 9.485 10.698 1.00 0.00 N ATOM 1737 CZ ARG A 116 25.533 10.208 11.630 1.00 0.00 C ATOM 1738 NH1 ARG A 116 25.470 9.870 12.910 1.00 0.00 N ATOM 1739 NH2 ARG A 116 26.258 11.260 11.271 1.00 0.00 N ATOM 0 H ARG A 116 26.488 5.253 8.459 1.00 0.00 H new ATOM 0 HA ARG A 116 23.835 5.345 7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.713 5.751 9.894 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.709 7.076 9.325 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.511 8.340 8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.711 7.078 9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.266 8.451 11.554 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.755 7.529 11.480 1.00 0.00 H new ATOM 0 HE ARG A 116 24.939 9.828 9.738 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.932 9.052 13.196 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.960 10.428 13.610 1.00 0.00 H new ATOM 0 HH21 ARG A 116 26.330 11.518 10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 116 26.744 11.810 11.979 1.00 0.00 H new ATOM 1753 N GLY A 117 25.308 8.044 6.495 1.00 0.00 N ATOM 1754 CA GLY A 117 25.042 9.105 5.526 1.00 0.00 C ATOM 1755 C GLY A 117 24.961 8.566 4.098 1.00 0.00 C ATOM 1756 O GLY A 117 24.066 8.930 3.338 1.00 0.00 O ATOM 0 H GLY A 117 26.196 8.129 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.106 9.602 5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.829 9.857 5.586 1.00 0.00 H new ATOM 1760 N GLN A 118 25.842 7.637 3.734 1.00 0.00 N ATOM 1761 CA GLN A 118 25.866 7.066 2.392 1.00 0.00 C ATOM 1762 C GLN A 118 24.619 6.224 2.135 1.00 0.00 C ATOM 1763 O GLN A 118 24.026 6.276 1.055 1.00 0.00 O ATOM 1764 CB GLN A 118 27.147 6.242 2.209 1.00 0.00 C ATOM 1765 CG GLN A 118 28.383 7.136 2.387 1.00 0.00 C ATOM 1766 CD GLN A 118 29.707 6.369 2.284 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.828 5.226 2.722 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.741 6.975 1.718 1.00 0.00 N ATOM 0 H GLN A 118 26.556 7.261 4.358 1.00 0.00 H new ATOM 0 HA GLN A 118 25.864 7.873 1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.171 5.428 2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 118 27.157 5.788 1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.366 7.921 1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.330 7.627 3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.640 7.923 1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.637 6.493 1.646 1.00 0.00 H new ATOM 1777 N VAL A 119 24.178 5.497 3.161 1.00 0.00 N ATOM 1778 CA VAL A 119 22.923 4.771 3.134 1.00 0.00 C ATOM 1779 C VAL A 119 21.799 5.784 2.943 1.00 0.00 C ATOM 1780 O VAL A 119 20.910 5.525 2.143 1.00 0.00 O ATOM 1781 CB VAL A 119 22.760 3.958 4.435 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.346 3.403 4.627 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.718 2.754 4.442 1.00 0.00 C ATOM 0 H VAL A 119 24.690 5.399 4.038 1.00 0.00 H new ATOM 0 HA VAL A 119 22.897 4.058 2.310 1.00 0.00 H new ATOM 0 HB VAL A 119 22.981 4.657 5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.299 2.842 5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.633 4.227 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 119 21.097 2.745 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.589 2.192 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.498 2.109 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.747 3.107 4.372 1.00 0.00 H new ATOM 1793 N LYS A 120 21.814 6.934 3.626 1.00 0.00 N ATOM 1794 CA LYS A 120 20.683 7.855 3.589 1.00 0.00 C ATOM 1795 C LYS A 120 20.402 8.348 2.180 1.00 0.00 C ATOM 1796 O LYS A 120 19.240 8.441 1.793 1.00 0.00 O ATOM 1797 CB LYS A 120 20.833 8.984 4.626 1.00 0.00 C ATOM 1798 CG LYS A 120 21.484 10.329 4.227 1.00 0.00 C ATOM 1799 CD LYS A 120 20.644 11.512 4.737 1.00 0.00 C ATOM 1800 CE LYS A 120 19.303 11.655 3.985 1.00 0.00 C ATOM 1801 NZ LYS A 120 19.395 12.564 2.815 1.00 0.00 N ATOM 0 H LYS A 120 22.594 7.244 4.206 1.00 0.00 H new ATOM 0 HA LYS A 120 19.792 7.302 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.836 9.208 5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.408 8.582 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.491 10.387 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.579 10.385 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 120 20.448 11.381 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 120 21.217 12.433 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.972 10.672 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.544 12.030 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 18.464 12.637 2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 19.700 13.507 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 20.086 12.186 2.135 1.00 0.00 H new ATOM 1815 N GLU A 121 21.445 8.622 1.400 1.00 0.00 N ATOM 1816 CA GLU A 121 21.268 9.061 0.029 1.00 0.00 C ATOM 1817 C GLU A 121 20.723 7.916 -0.811 1.00 0.00 C ATOM 1818 O GLU A 121 19.820 8.145 -1.612 1.00 0.00 O ATOM 1819 CB GLU A 121 22.591 9.561 -0.575 1.00 0.00 C ATOM 1820 CG GLU A 121 23.147 10.831 0.075 1.00 0.00 C ATOM 1821 CD GLU A 121 22.160 12.009 -0.007 1.00 0.00 C ATOM 1822 OE1 GLU A 121 22.186 12.758 -1.014 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.354 12.183 0.938 1.00 0.00 O ATOM 0 H GLU A 121 22.417 8.546 1.698 1.00 0.00 H new ATOM 0 HA GLU A 121 20.560 9.890 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.336 8.770 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.442 9.748 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.382 10.629 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 121 24.081 11.108 -0.414 1.00 0.00 H new ATOM 1830 N ARG A 122 21.219 6.685 -0.640 1.00 0.00 N ATOM 1831 CA ARG A 122 20.683 5.562 -1.408 1.00 0.00 C ATOM 1832 C ARG A 122 19.236 5.280 -1.033 1.00 0.00 C ATOM 1833 O ARG A 122 18.419 5.108 -1.931 1.00 0.00 O ATOM 1834 CB ARG A 122 21.557 4.315 -1.267 1.00 0.00 C ATOM 1835 CG ARG A 122 22.869 4.453 -2.061 1.00 0.00 C ATOM 1836 CD ARG A 122 23.287 3.096 -2.630 1.00 0.00 C ATOM 1837 NE ARG A 122 24.380 3.237 -3.612 1.00 0.00 N ATOM 1838 CZ ARG A 122 24.530 2.522 -4.736 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.636 1.594 -5.070 1.00 0.00 N ATOM 1840 NH2 ARG A 122 25.581 2.738 -5.522 1.00 0.00 N ATOM 0 H ARG A 122 21.971 6.447 0.007 1.00 0.00 H new ATOM 0 HA ARG A 122 20.699 5.846 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.784 4.145 -0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 122 21.007 3.442 -1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.739 5.171 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.655 4.842 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.607 2.443 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 122 22.429 2.619 -3.104 1.00 0.00 H new ATOM 0 HE ARG A 122 25.088 3.945 -3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.830 1.423 -4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 122 23.757 1.054 -5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 122 26.270 3.446 -5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.698 2.196 -6.378 1.00 0.00 H new ATOM 1854 N VAL A 123 18.890 5.326 0.253 1.00 0.00 N ATOM 1855 CA VAL A 123 17.524 5.213 0.719 1.00 0.00 C ATOM 1856 C VAL A 123 16.676 6.265 0.020 1.00 0.00 C ATOM 1857 O VAL A 123 15.668 5.930 -0.596 1.00 0.00 O ATOM 1858 CB VAL A 123 17.520 5.351 2.258 1.00 0.00 C ATOM 1859 CG1 VAL A 123 16.113 5.533 2.801 1.00 0.00 C ATOM 1860 CG2 VAL A 123 18.108 4.118 2.961 1.00 0.00 C ATOM 0 H VAL A 123 19.568 5.445 1.006 1.00 0.00 H new ATOM 0 HA VAL A 123 17.091 4.243 0.477 1.00 0.00 H new ATOM 0 HB VAL A 123 18.134 6.228 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 123 16.151 5.626 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.672 6.434 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.505 4.669 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 123 18.081 4.267 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.521 3.237 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 123 19.140 3.974 2.640 1.00 0.00 H new ATOM 1870 N GLU A 124 17.100 7.521 0.049 1.00 0.00 N ATOM 1871 CA GLU A 124 16.316 8.601 -0.509 1.00 0.00 C ATOM 1872 C GLU A 124 16.178 8.478 -2.028 1.00 0.00 C ATOM 1873 O GLU A 124 15.121 8.786 -2.576 1.00 0.00 O ATOM 1874 CB GLU A 124 16.953 9.898 -0.041 1.00 0.00 C ATOM 1875 CG GLU A 124 16.105 11.101 -0.437 1.00 0.00 C ATOM 1876 CD GLU A 124 16.672 12.429 0.099 1.00 0.00 C ATOM 1877 OE1 GLU A 124 17.098 12.489 1.277 1.00 0.00 O ATOM 1878 OE2 GLU A 124 16.684 13.427 -0.660 1.00 0.00 O ATOM 0 H GLU A 124 17.988 7.813 0.457 1.00 0.00 H new ATOM 0 HA GLU A 124 15.285 8.569 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.075 9.876 1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.949 9.994 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.038 11.151 -1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.091 10.965 -0.061 1.00 0.00 H new ATOM 1885 N ASN A 125 17.205 7.962 -2.707 1.00 0.00 N ATOM 1886 CA ASN A 125 17.156 7.688 -4.137 1.00 0.00 C ATOM 1887 C ASN A 125 16.105 6.631 -4.437 1.00 0.00 C ATOM 1888 O ASN A 125 15.274 6.832 -5.316 1.00 0.00 O ATOM 1889 CB ASN A 125 18.519 7.232 -4.669 1.00 0.00 C ATOM 1890 CG ASN A 125 19.367 8.405 -5.153 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.374 8.735 -6.337 1.00 0.00 O ATOM 1892 ND2 ASN A 125 20.075 9.074 -4.255 1.00 0.00 N ATOM 0 H ASN A 125 18.097 7.723 -2.274 1.00 0.00 H new ATOM 0 HA ASN A 125 16.889 8.617 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.054 6.698 -3.884 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.371 6.529 -5.489 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.636 9.876 -4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 125 20.059 8.788 -3.276 1.00 0.00 H new ATOM 1899 N LEU A 126 16.118 5.518 -3.696 1.00 0.00 N ATOM 1900 CA LEU A 126 15.126 4.453 -3.849 1.00 0.00 C ATOM 1901 C LEU A 126 13.741 5.011 -3.609 1.00 0.00 C ATOM 1902 O LEU A 126 12.852 4.812 -4.423 1.00 0.00 O ATOM 1903 CB LEU A 126 15.505 3.251 -2.966 1.00 0.00 C ATOM 1904 CG LEU A 126 14.406 2.441 -2.245 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.751 0.959 -2.352 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.311 2.748 -0.747 1.00 0.00 C ATOM 0 H LEU A 126 16.816 5.332 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 126 15.116 4.068 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 126 16.063 2.554 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.192 3.615 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 126 13.462 2.707 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.985 0.370 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.797 0.671 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.717 0.776 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.520 2.145 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.261 2.513 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.085 3.805 -0.606 1.00 0.00 H new ATOM 1918 N ILE A 127 13.590 5.793 -2.555 1.00 0.00 N ATOM 1919 CA ILE A 127 12.330 6.428 -2.197 1.00 0.00 C ATOM 1920 C ILE A 127 11.845 7.289 -3.358 1.00 0.00 C ATOM 1921 O ILE A 127 10.675 7.211 -3.715 1.00 0.00 O ATOM 1922 CB ILE A 127 12.577 7.206 -0.900 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.444 6.148 0.206 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.669 8.409 -0.646 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.216 6.571 1.435 1.00 0.00 C ATOM 0 H ILE A 127 14.351 6.010 -1.912 1.00 0.00 H new ATOM 0 HA ILE A 127 11.530 5.710 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 127 13.556 7.682 -0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.393 6.007 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.816 5.189 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.941 8.876 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.787 9.131 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.631 8.079 -0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 127 13.112 5.811 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.269 6.688 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.824 7.519 1.802 1.00 0.00 H new ATOM 1937 N ALA A 128 12.732 8.049 -4.001 1.00 0.00 N ATOM 1938 CA ALA A 128 12.350 8.898 -5.114 1.00 0.00 C ATOM 1939 C ALA A 128 11.843 8.103 -6.320 1.00 0.00 C ATOM 1940 O ALA A 128 11.045 8.632 -7.099 1.00 0.00 O ATOM 1941 CB ALA A 128 13.520 9.815 -5.493 1.00 0.00 C ATOM 0 H ALA A 128 13.723 8.089 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 128 11.509 9.511 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.228 10.450 -6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.785 10.438 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.379 9.209 -5.781 1.00 0.00 H new ATOM 1947 N LYS A 129 12.276 6.848 -6.487 1.00 0.00 N ATOM 1948 CA LYS A 129 11.739 5.977 -7.518 1.00 0.00 C ATOM 1949 C LYS A 129 10.311 5.553 -7.169 1.00 0.00 C ATOM 1950 O LYS A 129 9.419 5.689 -8.008 1.00 0.00 O ATOM 1951 CB LYS A 129 12.634 4.746 -7.736 1.00 0.00 C ATOM 1952 CG LYS A 129 14.065 5.138 -8.138 1.00 0.00 C ATOM 1953 CD LYS A 129 15.023 3.942 -8.129 1.00 0.00 C ATOM 1954 CE LYS A 129 14.756 2.894 -9.224 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.065 3.384 -10.601 1.00 0.00 N ATOM 0 H LYS A 129 13.002 6.418 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 129 11.717 6.538 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.664 4.153 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.200 4.115 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.051 5.581 -9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.435 5.902 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 129 16.043 4.310 -8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.964 3.454 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.353 2.005 -9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.710 2.592 -9.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 14.864 2.632 -11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.477 4.215 -10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.070 3.647 -10.659 1.00 0.00 H new ATOM 1969 N ILE A 130 10.098 5.029 -5.955 1.00 0.00 N ATOM 1970 CA ILE A 130 8.841 4.389 -5.595 1.00 0.00 C ATOM 1971 C ILE A 130 7.757 5.309 -5.048 1.00 0.00 C ATOM 1972 O ILE A 130 6.600 5.130 -5.431 1.00 0.00 O ATOM 1973 CB ILE A 130 9.062 3.170 -4.663 1.00 0.00 C ATOM 1974 CG1 ILE A 130 10.259 3.214 -3.700 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.183 1.950 -5.582 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.368 1.980 -2.795 1.00 0.00 C ATOM 0 H ILE A 130 10.790 5.040 -5.206 1.00 0.00 H new ATOM 0 HA ILE A 130 8.446 4.044 -6.551 1.00 0.00 H new ATOM 0 HB ILE A 130 8.212 3.148 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 130 11.177 3.311 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.180 4.105 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.341 1.055 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.267 1.840 -6.163 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.027 2.086 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.236 2.082 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.467 1.893 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.479 1.087 -3.410 1.00 0.00 H new ATOM 1988 N SER A 131 8.078 6.204 -4.121 1.00 0.00 N ATOM 1989 CA SER A 131 7.094 6.985 -3.387 1.00 0.00 C ATOM 1990 C SER A 131 6.304 7.890 -4.337 1.00 0.00 C ATOM 1991 O SER A 131 6.921 8.643 -5.128 1.00 0.00 O ATOM 1992 CB SER A 131 7.786 7.778 -2.284 1.00 0.00 C ATOM 1993 OG SER A 131 8.406 6.856 -1.390 1.00 0.00 O ATOM 1994 OXT SER A 131 5.053 7.844 -4.284 1.00 0.00 O ATOM 0 H SER A 131 9.041 6.409 -3.856 1.00 0.00 H new ATOM 0 HA SER A 131 6.375 6.313 -2.918 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.529 8.452 -2.710 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.064 8.396 -1.751 1.00 0.00 H new ATOM 0 HG SER A 131 9.292 6.615 -1.732 1.00 0.00 H new TER 2000 SER A 131